# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/44f5c807-c795-4080-ab75-6c9ff48385e3/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 Na2SnO3 / P6_3/mcm (193) / materials id 755486](https://mdr.nims.go.jp/datasets/b66026ed-366e-48ac-b8cd-5e2ec89c11d7) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 23:43:18]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mcm (193)Number of symmetry operations in supercell: 96------------------------------ primitive cell ------------------------------Lattice vectors: a 5.535173962716674 0.000000000000000 0.000000000000000 b -2.767586981358337 4.793601266078818 0.000000000000000 c 0.000000000000000 0.000000000000000 11.082301899999999Atomic positions (fractional): *1 Na 0.00000000000000 0.32130402409798 0.75000000000000 22.990 2 Na 0.32130402409798 0.32130402409798 0.25000000000000 22.990 3 Na 0.00000000000000 0.67869597590202 0.25000000000000 22.990 *4 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 5 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 6 Na 0.32130402409798 0.00000000000000 0.75000000000000 22.990 7 Na 0.67869597590202 0.67869597590202 0.75000000000000 22.990 8 Na 0.67869597590202 0.00000000000000 0.25000000000000 22.990 *9 Sn 0.33333333333333 0.66666666666667 0.00000000000000 118.710 10 Sn 0.66666666666667 0.33333333333333 0.00000000000000 118.710 11 Sn 0.66666666666667 0.33333333333333 0.50000000000000 118.710 12 Sn 0.33333333333333 0.66666666666667 0.50000000000000 118.710 *13 O 0.00000000000000 0.36855231887524 0.39456853084577 15.999 14 O 0.00000000000000 0.36855231887524 0.10543146915423 15.999 15 O 0.00000000000000 0.63144768112476 0.89456853084577 15.999 16 O 0.00000000000000 0.63144768112476 0.60543146915423 15.999 17 O 0.36855231887524 0.36855231887524 0.89456853084577 15.999 18 O 0.36855231887524 0.36855231887524 0.60543146915423 15.999 19 O 0.63144768112476 0.63144768112476 0.39456853084577 15.999 20 O 0.63144768112476 0.63144768112476 0.10543146915423 15.999 21 O 0.36855231887524 0.00000000000000 0.39456853084577 15.999 22 O 0.36855231887524 0.00000000000000 0.10543146915423 15.999 23 O 0.63144768112476 0.00000000000000 0.89456853084577 15.999 24 O 0.63144768112476 0.00000000000000 0.60543146915423 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.535173962716674 0.000000000000000 0.000000000000000 b -2.767586981358337 4.793601266078818 0.000000000000000 c 0.000000000000000 0.000000000000000 11.082301899999999Atomic positions (fractional): *1 Na 0.00000000000000 0.32130402409798 0.75000000000000 22.990 > 1 2 Na 0.32130402409798 0.32130402409798 0.25000000000000 22.990 > 2 3 Na 0.00000000000000 0.67869597590202 0.25000000000000 22.990 > 3 *4 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 4 5 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 5 6 Na 0.32130402409798 0.00000000000000 0.75000000000000 22.990 > 6 7 Na 0.67869597590202 0.67869597590202 0.75000000000000 22.990 > 7 8 Na 0.67869597590202 0.00000000000000 0.25000000000000 22.990 > 8 *9 Sn 0.33333333333333 0.66666666666667 0.00000000000000 118.710 > 9 10 Sn 0.66666666666667 0.33333333333333 0.00000000000000 118.710 > 10 11 Sn 0.66666666666667 0.33333333333333 0.50000000000000 118.710 > 11 12 Sn 0.33333333333333 0.66666666666667 0.50000000000000 118.710 > 12 *13 O 0.00000000000000 0.36855231887524 0.39456853084577 15.999 > 13 14 O 0.00000000000000 0.36855231887524 0.10543146915423 15.999 > 14 15 O 0.00000000000000 0.63144768112476 0.89456853084577 15.999 > 15 16 O 0.00000000000000 0.63144768112476 0.60543146915423 15.999 > 16 17 O 0.36855231887524 0.36855231887524 0.89456853084577 15.999 > 17 18 O 0.36855231887524 0.36855231887524 0.60543146915423 15.999 > 18 19 O 0.63144768112476 0.63144768112476 0.39456853084577 15.999 > 19 20 O 0.63144768112476 0.63144768112476 0.10543146915423 15.999 > 20 21 O 0.36855231887524 0.00000000000000 0.39456853084577 15.999 > 21 22 O 0.36855231887524 0.00000000000000 0.10543146915423 15.999 > 22 23 O 0.63144768112476 0.00000000000000 0.89456853084577 15.999 > 23 24 O 0.63144768112476 0.00000000000000 0.60543146915423 15.999 > 24-------------------------------- super cell --------------------------------Lattice vectors: a 11.070347925433348 0.000000000000000 0.000000000000000 b -5.535173962716674 9.587202532157637 0.000000000000000 c 0.000000000000000 0.000000000000000 11.082301899999999Atomic positions (fractional): *1 Na 0.00000000000000 0.16065201204899 0.75000000000000 22.990 > 1 2 Na 0.50000000000000 0.16065201204899 0.75000000000000 22.990 > 1 3 Na 0.00000000000000 0.66065201204899 0.75000000000000 22.990 > 1 4 Na 0.50000000000000 0.66065201204899 0.75000000000000 22.990 > 1 5 Na 0.16065201204899 0.16065201204899 0.25000000000000 22.990 > 2 6 Na 0.66065201204899 0.16065201204899 0.25000000000000 22.990 > 2 7 Na 0.16065201204899 0.66065201204899 0.25000000000000 22.990 > 2 8 Na 0.66065201204899 0.66065201204899 0.25000000000000 22.990 > 2 9 Na 0.00000000000000 0.33934798795101 0.25000000000000 22.990 > 3 10 Na 0.50000000000000 0.33934798795101 0.25000000000000 22.990 > 3 11 Na 0.00000000000000 0.83934798795101 0.25000000000000 22.990 > 3 12 Na 0.50000000000000 0.83934798795101 0.25000000000000 22.990 > 3 *13 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 4 14 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 4 15 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 4 16 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 4 17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 5 18 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 5 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 5 20 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 5 21 Na 0.16065201204899 0.00000000000000 0.75000000000000 22.990 > 6 22 Na 0.66065201204899 0.00000000000000 0.75000000000000 22.990 > 6 23 Na 0.16065201204899 0.50000000000000 0.75000000000000 22.990 > 6 24 Na 0.66065201204899 0.50000000000000 0.75000000000000 22.990 > 6 25 Na 0.33934798795101 0.33934798795101 0.75000000000000 22.990 > 7 26 Na 0.83934798795101 0.33934798795101 0.75000000000000 22.990 > 7 27 Na 0.33934798795101 0.83934798795101 0.75000000000000 22.990 > 7 28 Na 0.83934798795101 0.83934798795101 0.75000000000000 22.990 > 7 29 Na 0.33934798795101 0.00000000000000 0.25000000000000 22.990 > 8 30 Na 0.83934798795101 0.00000000000000 0.25000000000000 22.990 > 8 31 Na 0.33934798795101 0.50000000000000 0.25000000000000 22.990 > 8 32 Na 0.83934798795101 0.50000000000000 0.25000000000000 22.990 > 8 *33 Sn 0.16666666666667 0.33333333333333 0.00000000000000 118.710 > 9 34 Sn 0.66666666666667 0.33333333333333 0.00000000000000 118.710 > 9 35 Sn 0.16666666666667 0.83333333333333 0.00000000000000 118.710 > 9 36 Sn 0.66666666666667 0.83333333333333 0.00000000000000 118.710 > 9 37 Sn 0.33333333333333 0.16666666666667 0.00000000000000 118.710 > 10 38 Sn 0.83333333333333 0.16666666666667 0.00000000000000 118.710 > 10 39 Sn 0.33333333333333 0.66666666666667 0.00000000000000 118.710 > 10 40 Sn 0.83333333333333 0.66666666666667 0.00000000000000 118.710 > 10 41 Sn 0.33333333333333 0.16666666666667 0.50000000000000 118.710 > 11 42 Sn 0.83333333333333 0.16666666666667 0.50000000000000 118.710 > 11 43 Sn 0.33333333333333 0.66666666666667 0.50000000000000 118.710 > 11 44 Sn 0.83333333333333 0.66666666666667 0.50000000000000 118.710 > 11 45 Sn 0.16666666666667 0.33333333333333 0.50000000000000 118.710 > 12 46 Sn 0.66666666666667 0.33333333333333 0.50000000000000 118.710 > 12 47 Sn 0.16666666666667 0.83333333333333 0.50000000000000 118.710 > 12 48 Sn 0.66666666666667 0.83333333333333 0.50000000000000 118.710 > 12 *49 O 0.00000000000000 0.18427615943762 0.39456853084577 15.999 > 13 50 O 0.50000000000000 0.18427615943762 0.39456853084577 15.999 > 13 51 O 0.00000000000000 0.68427615943762 0.39456853084577 15.999 > 13 52 O 0.50000000000000 0.68427615943762 0.39456853084577 15.999 > 13 53 O 0.00000000000000 0.18427615943762 0.10543146915423 15.999 > 14 54 O 0.50000000000000 0.18427615943762 0.10543146915423 15.999 > 14 55 O 0.00000000000000 0.68427615943762 0.10543146915423 15.999 > 14 56 O 0.50000000000000 0.68427615943762 0.10543146915423 15.999 > 14 57 O 0.00000000000000 0.31572384056238 0.89456853084577 15.999 > 15 58 O 0.50000000000000 0.31572384056238 0.89456853084577 15.999 > 15 59 O 0.00000000000000 0.81572384056238 0.89456853084577 15.999 > 15 60 O 0.50000000000000 0.81572384056238 0.89456853084577 15.999 > 15 61 O 0.00000000000000 0.31572384056238 0.60543146915423 15.999 > 16 62 O 0.50000000000000 0.31572384056238 0.60543146915423 15.999 > 16 63 O 0.00000000000000 0.81572384056238 0.60543146915423 15.999 > 16 64 O 0.50000000000000 0.81572384056238 0.60543146915423 15.999 > 16 65 O 0.18427615943762 0.18427615943762 0.89456853084577 15.999 > 17 66 O 0.68427615943762 0.18427615943762 0.89456853084577 15.999 > 17 67 O 0.18427615943762 0.68427615943762 0.89456853084577 15.999 > 17 68 O 0.68427615943762 0.68427615943762 0.89456853084577 15.999 > 17 69 O 0.18427615943762 0.18427615943762 0.60543146915423 15.999 > 18 70 O 0.68427615943762 0.18427615943762 0.60543146915423 15.999 > 18 71 O 0.18427615943762 0.68427615943762 0.60543146915423 15.999 > 18 72 O 0.68427615943762 0.68427615943762 0.60543146915423 15.999 > 18 73 O 0.31572384056238 0.31572384056238 0.39456853084577 15.999 > 19 74 O 0.81572384056238 0.31572384056238 0.39456853084577 15.999 > 19 75 O 0.31572384056238 0.81572384056238 0.39456853084577 15.999 > 19 76 O 0.81572384056238 0.81572384056238 0.39456853084577 15.999 > 19 77 O 0.31572384056238 0.31572384056238 0.10543146915423 15.999 > 20 78 O 0.81572384056238 0.31572384056238 0.10543146915423 15.999 > 20 79 O 0.31572384056238 0.81572384056238 0.10543146915423 15.999 > 20 80 O 0.81572384056238 0.81572384056238 0.10543146915423 15.999 > 20 81 O 0.18427615943762 0.00000000000000 0.39456853084577 15.999 > 21 82 O 0.68427615943762 0.00000000000000 0.39456853084577 15.999 > 21 83 O 0.18427615943762 0.50000000000000 0.39456853084577 15.999 > 21 84 O 0.68427615943762 0.50000000000000 0.39456853084577 15.999 > 21 85 O 0.18427615943762 0.00000000000000 0.10543146915423 15.999 > 22 86 O 0.68427615943762 0.00000000000000 0.10543146915423 15.999 > 22 87 O 0.18427615943762 0.50000000000000 0.10543146915423 15.999 > 22 88 O 0.68427615943762 0.50000000000000 0.10543146915423 15.999 > 22 89 O 0.31572384056238 0.00000000000000 0.89456853084577 15.999 > 23 90 O 0.81572384056238 0.00000000000000 0.89456853084577 15.999 > 23 91 O 0.31572384056238 0.50000000000000 0.89456853084577 15.999 > 23 92 O 0.81572384056238 0.50000000000000 0.89456853084577 15.999 > 23 93 O 0.31572384056238 0.00000000000000 0.60543146915423 15.999 > 24 94 O 0.81572384056238 0.00000000000000 0.60543146915423 15.999 > 24 95 O 0.31572384056238 0.50000000000000 0.60543146915423 15.999 > 24 96 O 0.81572384056238 0.50000000000000 0.60543146915423 15.999 > 24----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.6826269 -0.0000000 0.0000000 -0.0000000 3.6826269 0.0000000 0.0000000 0.0000000 3.1191021-------------------------- Born effective charges -------------------------- 1 Na 1.0573675 0.1058872 0.0000000 0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 2 Na 1.0573675 -0.1058872 0.0000000 -0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 3 Na 1.0573675 0.1058872 0.0000000 0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 4 Na 1.0877241 -0.0000000 0.0000000 0.0000000 1.0877241 0.0000000 0.0000000 0.0000000 0.5895359 5 Na 1.0877241 -0.0000000 0.0000000 0.0000000 1.0877241 0.0000000 0.0000000 0.0000000 0.5895359 6 Na 0.8739655 0.0000000 0.0000000 -0.0000000 1.1185015 0.0000000 0.0000000 0.0000000 1.3960719 7 Na 1.0573675 -0.1058872 0.0000000 -0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 8 Na 0.8739655 0.0000000 0.0000000 -0.0000000 1.1185015 0.0000000 0.0000000 0.0000000 1.3960719 9 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 10 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 11 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 12 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 13 O -2.2512186 -0.3805997 0.0780842 -0.3805997 -1.8117399 -0.1352457 0.1231725 -0.2133410 -1.5894425 14 O -2.2512186 -0.3805997 -0.0780842 -0.3805997 -1.8117399 0.1352457 -0.1231725 0.2133410 -1.5894425 15 O -2.2512186 -0.3805997 -0.0780842 -0.3805997 -1.8117399 0.1352457 -0.1231725 0.2133410 -1.5894425 16 O -2.2512186 -0.3805997 0.0780842 -0.3805997 -1.8117399 -0.1352457 0.1231725 -0.2133410 -1.5894425 17 O -2.2512186 0.3805997 -0.0780842 0.3805997 -1.8117399 -0.1352457 -0.1231725 -0.2133410 -1.5894425 18 O -2.2512186 0.3805997 0.0780842 0.3805997 -1.8117399 0.1352457 0.1231725 0.2133410 -1.5894425 19 O -2.2512186 0.3805997 0.0780842 0.3805997 -1.8117399 0.1352457 0.1231725 0.2133410 -1.5894425 20 O -2.2512186 0.3805997 -0.0780842 0.3805997 -1.8117399 -0.1352457 -0.1231725 -0.2133410 -1.5894425 21 O -1.5920005 -0.0000000 -0.1561683 -0.0000000 -2.4709579 0.0000000 -0.2463450 0.0000000 -1.5894425 22 O -1.5920005 -0.0000000 0.1561683 -0.0000000 -2.4709579 0.0000000 0.2463450 -0.0000000 -1.5894425 23 O -1.5920005 -0.0000000 0.1561683 -0.0000000 -2.4709579 0.0000000 0.2463450 -0.0000000 -1.5894425 24 O -1.5920005 -0.0000000 -0.1561683 -0.0000000 -2.4709579 0.0000000 -0.2463450 0.0000000 -1.5894425----------------------------------------------------------------------------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: 511Number of blocks in projector: 284Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 246Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 178Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 87Use standard eigh solver.Tree of FC basis block matrices:- (511, 499), data: False|-- (87, 83), data: True|-- (178, 176), data: True|-- (246, 240), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.006Solver_block: 100 / 160 - Time: 0.347Solver_block: 160 / 160 - Time: 0.233Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.589--------------------------------- 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: 511Number of blocks in projector: 284Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 3--- Eigsh_solver_block: 1 / 3 ---Block_size: 246Use standard eigh solver.--- Eigsh_solver_block: 2 / 3 ---Block_size: 178Use standard eigh solver.--- Eigsh_solver_block: 3 / 3 ---Block_size: 87Use standard eigh solver.Tree of FC basis block matrices:- (511, 499), data: False|-- (87, 83), data: True|-- (178, 176), data: True|-- (246, 240), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 23:43:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:43:26]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mcm (193)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.535173962716674 0.000000000000000 0.000000000000000 b -2.767586981358337 4.793601266078818 0.000000000000000 c 0.000000000000000 0.000000000000000 11.082301899999999Atomic positions (fractional): 1 Na 0.00000000000000 0.32130402409798 0.75000000000000 22.990 2 Na 0.32130402409798 0.32130402409798 0.25000000000000 22.990 3 Na 0.00000000000000 0.67869597590202 0.25000000000000 22.990 4 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 5 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 6 Na 0.32130402409798 0.00000000000000 0.75000000000000 22.990 7 Na 0.67869597590202 0.67869597590202 0.75000000000000 22.990 8 Na 0.67869597590202 0.00000000000000 0.25000000000000 22.990 9 Sn 0.33333333333333 0.66666666666667 0.00000000000000 118.710 10 Sn 0.66666666666667 0.33333333333333 0.00000000000000 118.710 11 Sn 0.66666666666667 0.33333333333333 0.50000000000000 118.710 12 Sn 0.33333333333333 0.66666666666667 0.50000000000000 118.710 13 O 0.00000000000000 0.36855231887524 0.39456853084577 15.999 14 O 0.00000000000000 0.36855231887524 0.10543146915423 15.999 15 O 0.00000000000000 0.63144768112476 0.89456853084577 15.999 16 O 0.00000000000000 0.63144768112476 0.60543146915423 15.999 17 O 0.36855231887524 0.36855231887524 0.89456853084577 15.999 18 O 0.36855231887524 0.36855231887524 0.60543146915423 15.999 19 O 0.63144768112476 0.63144768112476 0.39456853084577 15.999 20 O 0.63144768112476 0.63144768112476 0.10543146915423 15.999 21 O 0.36855231887524 0.00000000000000 0.39456853084577 15.999 22 O 0.36855231887524 0.00000000000000 0.10543146915423 15.999 23 O 0.63144768112476 0.00000000000000 0.89456853084577 15.999 24 O 0.63144768112476 0.00000000000000 0.60543146915423 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.070347925433348 0.000000000000000 0.000000000000000 b -5.535173962716674 9.587202532157637 0.000000000000000 c 0.000000000000000 0.000000000000000 11.082301899999999Atomic positions (fractional): 1 Na 0.00000000000000 0.16065201204899 0.75000000000000 22.990 > 1 2 Na 0.50000000000000 0.16065201204899 0.75000000000000 22.990 > 1 3 Na 0.00000000000000 0.66065201204899 0.75000000000000 22.990 > 1 4 Na 0.50000000000000 0.66065201204899 0.75000000000000 22.990 > 1 5 Na 0.16065201204899 0.16065201204899 0.25000000000000 22.990 > 5 6 Na 0.66065201204899 0.16065201204899 0.25000000000000 22.990 > 5 7 Na 0.16065201204899 0.66065201204899 0.25000000000000 22.990 > 5 8 Na 0.66065201204899 0.66065201204899 0.25000000000000 22.990 > 5 9 Na 0.00000000000000 0.33934798795101 0.25000000000000 22.990 > 9 10 Na 0.50000000000000 0.33934798795101 0.25000000000000 22.990 > 9 11 Na 0.00000000000000 0.83934798795101 0.25000000000000 22.990 > 9 12 Na 0.50000000000000 0.83934798795101 0.25000000000000 22.990 > 9 13 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 13 14 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 13 15 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 13 16 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 13 17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 17 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 17 20 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 17 21 Na 0.16065201204899 0.00000000000000 0.75000000000000 22.990 > 21 22 Na 0.66065201204899 0.00000000000000 0.75000000000000 22.990 > 21 23 Na 0.16065201204899 0.50000000000000 0.75000000000000 22.990 > 21 24 Na 0.66065201204899 0.50000000000000 0.75000000000000 22.990 > 21 25 Na 0.33934798795101 0.33934798795101 0.75000000000000 22.990 > 25 26 Na 0.83934798795101 0.33934798795101 0.75000000000000 22.990 > 25 27 Na 0.33934798795101 0.83934798795101 0.75000000000000 22.990 > 25 28 Na 0.83934798795101 0.83934798795101 0.75000000000000 22.990 > 25 29 Na 0.33934798795101 0.00000000000000 0.25000000000000 22.990 > 29 30 Na 0.83934798795101 0.00000000000000 0.25000000000000 22.990 > 29 31 Na 0.33934798795101 0.50000000000000 0.25000000000000 22.990 > 29 32 Na 0.83934798795101 0.50000000000000 0.25000000000000 22.990 > 29 33 Sn 0.16666666666667 0.33333333333333 0.00000000000000 118.710 > 33 34 Sn 0.66666666666667 0.33333333333333 0.00000000000000 118.710 > 33 35 Sn 0.16666666666667 0.83333333333333 0.00000000000000 118.710 > 33 36 Sn 0.66666666666667 0.83333333333333 0.00000000000000 118.710 > 33 37 Sn 0.33333333333333 0.16666666666667 0.00000000000000 118.710 > 37 38 Sn 0.83333333333333 0.16666666666667 0.00000000000000 118.710 > 37 39 Sn 0.33333333333333 0.66666666666667 0.00000000000000 118.710 > 37 40 Sn 0.83333333333333 0.66666666666667 0.00000000000000 118.710 > 37 41 Sn 0.33333333333333 0.16666666666667 0.50000000000000 118.710 > 41 42 Sn 0.83333333333333 0.16666666666667 0.50000000000000 118.710 > 41 43 Sn 0.33333333333333 0.66666666666667 0.50000000000000 118.710 > 41 44 Sn 0.83333333333333 0.66666666666667 0.50000000000000 118.710 > 41 45 Sn 0.16666666666667 0.33333333333333 0.50000000000000 118.710 > 45 46 Sn 0.66666666666667 0.33333333333333 0.50000000000000 118.710 > 45 47 Sn 0.16666666666667 0.83333333333333 0.50000000000000 118.710 > 45 48 Sn 0.66666666666667 0.83333333333333 0.50000000000000 118.710 > 45 49 O 0.00000000000000 0.18427615943762 0.39456853084577 15.999 > 49 50 O 0.50000000000000 0.18427615943762 0.39456853084577 15.999 > 49 51 O 0.00000000000000 0.68427615943762 0.39456853084577 15.999 > 49 52 O 0.50000000000000 0.68427615943762 0.39456853084577 15.999 > 49 53 O 0.00000000000000 0.18427615943762 0.10543146915423 15.999 > 53 54 O 0.50000000000000 0.18427615943762 0.10543146915423 15.999 > 53 55 O 0.00000000000000 0.68427615943762 0.10543146915423 15.999 > 53 56 O 0.50000000000000 0.68427615943762 0.10543146915423 15.999 > 53 57 O 0.00000000000000 0.31572384056238 0.89456853084577 15.999 > 57 58 O 0.50000000000000 0.31572384056238 0.89456853084577 15.999 > 57 59 O 0.00000000000000 0.81572384056238 0.89456853084577 15.999 > 57 60 O 0.50000000000000 0.81572384056238 0.89456853084577 15.999 > 57 61 O 0.00000000000000 0.31572384056238 0.60543146915423 15.999 > 61 62 O 0.50000000000000 0.31572384056238 0.60543146915423 15.999 > 61 63 O 0.00000000000000 0.81572384056238 0.60543146915423 15.999 > 61 64 O 0.50000000000000 0.81572384056238 0.60543146915423 15.999 > 61 65 O 0.18427615943762 0.18427615943762 0.89456853084577 15.999 > 65 66 O 0.68427615943762 0.18427615943762 0.89456853084577 15.999 > 65 67 O 0.18427615943762 0.68427615943762 0.89456853084577 15.999 > 65 68 O 0.68427615943762 0.68427615943762 0.89456853084577 15.999 > 65 69 O 0.18427615943762 0.18427615943762 0.60543146915423 15.999 > 69 70 O 0.68427615943762 0.18427615943762 0.60543146915423 15.999 > 69 71 O 0.18427615943762 0.68427615943762 0.60543146915423 15.999 > 69 72 O 0.68427615943762 0.68427615943762 0.60543146915423 15.999 > 69 73 O 0.31572384056238 0.31572384056238 0.39456853084577 15.999 > 73 74 O 0.81572384056238 0.31572384056238 0.39456853084577 15.999 > 73 75 O 0.31572384056238 0.81572384056238 0.39456853084577 15.999 > 73 76 O 0.81572384056238 0.81572384056238 0.39456853084577 15.999 > 73 77 O 0.31572384056238 0.31572384056238 0.10543146915423 15.999 > 77 78 O 0.81572384056238 0.31572384056238 0.10543146915423 15.999 > 77 79 O 0.31572384056238 0.81572384056238 0.10543146915423 15.999 > 77 80 O 0.81572384056238 0.81572384056238 0.10543146915423 15.999 > 77 81 O 0.18427615943762 0.00000000000000 0.39456853084577 15.999 > 81 82 O 0.68427615943762 0.00000000000000 0.39456853084577 15.999 > 81 83 O 0.18427615943762 0.50000000000000 0.39456853084577 15.999 > 81 84 O 0.68427615943762 0.50000000000000 0.39456853084577 15.999 > 81 85 O 0.18427615943762 0.00000000000000 0.10543146915423 15.999 > 85 86 O 0.68427615943762 0.00000000000000 0.10543146915423 15.999 > 85 87 O 0.18427615943762 0.50000000000000 0.10543146915423 15.999 > 85 88 O 0.68427615943762 0.50000000000000 0.10543146915423 15.999 > 85 89 O 0.31572384056238 0.00000000000000 0.89456853084577 15.999 > 89 90 O 0.81572384056238 0.00000000000000 0.89456853084577 15.999 > 89 91 O 0.31572384056238 0.50000000000000 0.89456853084577 15.999 > 89 92 O 0.81572384056238 0.50000000000000 0.89456853084577 15.999 > 89 93 O 0.31572384056238 0.00000000000000 0.60543146915423 15.999 > 93 94 O 0.81572384056238 0.00000000000000 0.60543146915423 15.999 > 93 95 O 0.31572384056238 0.50000000000000 0.60543146915423 15.999 > 93 96 O 0.81572384056238 0.50000000000000 0.60543146915423 15.999 > 93----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.6826269 -0.0000000 0.0000000 -0.0000000 3.6826269 0.0000000 0.0000000 0.0000000 3.1191021-------------------------- Born effective charges -------------------------- 1 Na 1.0573675 0.1058872 0.0000000 0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 2 Na 1.0573675 -0.1058872 0.0000000 -0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 3 Na 1.0573675 0.1058872 0.0000000 0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 4 Na 1.0877241 -0.0000000 0.0000000 0.0000000 1.0877241 0.0000000 0.0000000 0.0000000 0.5895359 5 Na 1.0877241 -0.0000000 0.0000000 0.0000000 1.0877241 0.0000000 0.0000000 0.0000000 0.5895359 6 Na 0.8739655 0.0000000 0.0000000 -0.0000000 1.1185015 0.0000000 0.0000000 0.0000000 1.3960719 7 Na 1.0573675 -0.1058872 0.0000000 -0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 8 Na 0.8739655 0.0000000 0.0000000 -0.0000000 1.1185015 0.0000000 0.0000000 0.0000000 1.3960719 9 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 10 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 11 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 12 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 13 O -2.2512186 -0.3805997 0.0780842 -0.3805997 -1.8117399 -0.1352457 0.1231725 -0.2133410 -1.5894425 14 O -2.2512186 -0.3805997 -0.0780842 -0.3805997 -1.8117399 0.1352457 -0.1231725 0.2133410 -1.5894425 15 O -2.2512186 -0.3805997 -0.0780842 -0.3805997 -1.8117399 0.1352457 -0.1231725 0.2133410 -1.5894425 16 O -2.2512186 -0.3805997 0.0780842 -0.3805997 -1.8117399 -0.1352457 0.1231725 -0.2133410 -1.5894425 17 O -2.2512186 0.3805997 -0.0780842 0.3805997 -1.8117399 -0.1352457 -0.1231725 -0.2133410 -1.5894425 18 O -2.2512186 0.3805997 0.0780842 0.3805997 -1.8117399 0.1352457 0.1231725 0.2133410 -1.5894425 19 O -2.2512186 0.3805997 0.0780842 0.3805997 -1.8117399 0.1352457 0.1231725 0.2133410 -1.5894425 20 O -2.2512186 0.3805997 -0.0780842 0.3805997 -1.8117399 -0.1352457 -0.1231725 -0.2133410 -1.5894425 21 O -1.5920005 -0.0000000 -0.1561683 -0.0000000 -2.4709579 0.0000000 -0.2463450 0.0000000 -1.5894425 22 O -1.5920005 -0.0000000 0.1561683 -0.0000000 -2.4709579 0.0000000 0.2463450 -0.0000000 -1.5894425 23 O -1.5920005 -0.0000000 0.1561683 -0.0000000 -2.4709579 0.0000000 0.2463450 -0.0000000 -1.5894425 24 O -1.5920005 -0.0000000 -0.1561683 -0.0000000 -2.4709579 0.0000000 -0.2463450 0.0000000 -1.5894425----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 13, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000004 (xyz) 0.00000004 (xyz) 0.00000004 (xzy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000004 (xz) 0.00000004 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:43:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 23:43:35]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P6_3/mcm (193)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.535173962716674 0.000000000000000 0.000000000000000 b -2.767586981358337 4.793601266078818 0.000000000000000 c 0.000000000000000 0.000000000000000 11.082301899999999Atomic positions (fractional): 1 Na 0.00000000000000 0.32130402409798 0.75000000000000 22.990 2 Na 0.32130402409798 0.32130402409798 0.25000000000000 22.990 3 Na 0.00000000000000 0.67869597590202 0.25000000000000 22.990 4 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 5 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 6 Na 0.32130402409798 0.00000000000000 0.75000000000000 22.990 7 Na 0.67869597590202 0.67869597590202 0.75000000000000 22.990 8 Na 0.67869597590202 0.00000000000000 0.25000000000000 22.990 9 Sn 0.33333333333333 0.66666666666667 0.00000000000000 118.710 10 Sn 0.66666666666667 0.33333333333333 0.00000000000000 118.710 11 Sn 0.66666666666667 0.33333333333333 0.50000000000000 118.710 12 Sn 0.33333333333333 0.66666666666667 0.50000000000000 118.710 13 O 0.00000000000000 0.36855231887524 0.39456853084577 15.999 14 O 0.00000000000000 0.36855231887524 0.10543146915423 15.999 15 O 0.00000000000000 0.63144768112476 0.89456853084577 15.999 16 O 0.00000000000000 0.63144768112476 0.60543146915423 15.999 17 O 0.36855231887524 0.36855231887524 0.89456853084577 15.999 18 O 0.36855231887524 0.36855231887524 0.60543146915423 15.999 19 O 0.63144768112476 0.63144768112476 0.39456853084577 15.999 20 O 0.63144768112476 0.63144768112476 0.10543146915423 15.999 21 O 0.36855231887524 0.00000000000000 0.39456853084577 15.999 22 O 0.36855231887524 0.00000000000000 0.10543146915423 15.999 23 O 0.63144768112476 0.00000000000000 0.89456853084577 15.999 24 O 0.63144768112476 0.00000000000000 0.60543146915423 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 11.070347925433348 0.000000000000000 0.000000000000000 b -5.535173962716674 9.587202532157637 0.000000000000000 c 0.000000000000000 0.000000000000000 11.082301899999999Atomic positions (fractional): 1 Na 0.00000000000000 0.16065201204899 0.75000000000000 22.990 > 1 2 Na 0.50000000000000 0.16065201204899 0.75000000000000 22.990 > 1 3 Na 0.00000000000000 0.66065201204899 0.75000000000000 22.990 > 1 4 Na 0.50000000000000 0.66065201204899 0.75000000000000 22.990 > 1 5 Na 0.16065201204899 0.16065201204899 0.25000000000000 22.990 > 5 6 Na 0.66065201204899 0.16065201204899 0.25000000000000 22.990 > 5 7 Na 0.16065201204899 0.66065201204899 0.25000000000000 22.990 > 5 8 Na 0.66065201204899 0.66065201204899 0.25000000000000 22.990 > 5 9 Na 0.00000000000000 0.33934798795101 0.25000000000000 22.990 > 9 10 Na 0.50000000000000 0.33934798795101 0.25000000000000 22.990 > 9 11 Na 0.00000000000000 0.83934798795101 0.25000000000000 22.990 > 9 12 Na 0.50000000000000 0.83934798795101 0.25000000000000 22.990 > 9 13 Na 0.00000000000000 0.00000000000000 0.00000000000000 22.990 > 13 14 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 13 15 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 > 13 16 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 13 17 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 17 18 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 17 19 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 17 20 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 17 21 Na 0.16065201204899 0.00000000000000 0.75000000000000 22.990 > 21 22 Na 0.66065201204899 0.00000000000000 0.75000000000000 22.990 > 21 23 Na 0.16065201204899 0.50000000000000 0.75000000000000 22.990 > 21 24 Na 0.66065201204899 0.50000000000000 0.75000000000000 22.990 > 21 25 Na 0.33934798795101 0.33934798795101 0.75000000000000 22.990 > 25 26 Na 0.83934798795101 0.33934798795101 0.75000000000000 22.990 > 25 27 Na 0.33934798795101 0.83934798795101 0.75000000000000 22.990 > 25 28 Na 0.83934798795101 0.83934798795101 0.75000000000000 22.990 > 25 29 Na 0.33934798795101 0.00000000000000 0.25000000000000 22.990 > 29 30 Na 0.83934798795101 0.00000000000000 0.25000000000000 22.990 > 29 31 Na 0.33934798795101 0.50000000000000 0.25000000000000 22.990 > 29 32 Na 0.83934798795101 0.50000000000000 0.25000000000000 22.990 > 29 33 Sn 0.16666666666667 0.33333333333333 0.00000000000000 118.710 > 33 34 Sn 0.66666666666667 0.33333333333333 0.00000000000000 118.710 > 33 35 Sn 0.16666666666667 0.83333333333333 0.00000000000000 118.710 > 33 36 Sn 0.66666666666667 0.83333333333333 0.00000000000000 118.710 > 33 37 Sn 0.33333333333333 0.16666666666667 0.00000000000000 118.710 > 37 38 Sn 0.83333333333333 0.16666666666667 0.00000000000000 118.710 > 37 39 Sn 0.33333333333333 0.66666666666667 0.00000000000000 118.710 > 37 40 Sn 0.83333333333333 0.66666666666667 0.00000000000000 118.710 > 37 41 Sn 0.33333333333333 0.16666666666667 0.50000000000000 118.710 > 41 42 Sn 0.83333333333333 0.16666666666667 0.50000000000000 118.710 > 41 43 Sn 0.33333333333333 0.66666666666667 0.50000000000000 118.710 > 41 44 Sn 0.83333333333333 0.66666666666667 0.50000000000000 118.710 > 41 45 Sn 0.16666666666667 0.33333333333333 0.50000000000000 118.710 > 45 46 Sn 0.66666666666667 0.33333333333333 0.50000000000000 118.710 > 45 47 Sn 0.16666666666667 0.83333333333333 0.50000000000000 118.710 > 45 48 Sn 0.66666666666667 0.83333333333333 0.50000000000000 118.710 > 45 49 O 0.00000000000000 0.18427615943762 0.39456853084577 15.999 > 49 50 O 0.50000000000000 0.18427615943762 0.39456853084577 15.999 > 49 51 O 0.00000000000000 0.68427615943762 0.39456853084577 15.999 > 49 52 O 0.50000000000000 0.68427615943762 0.39456853084577 15.999 > 49 53 O 0.00000000000000 0.18427615943762 0.10543146915423 15.999 > 53 54 O 0.50000000000000 0.18427615943762 0.10543146915423 15.999 > 53 55 O 0.00000000000000 0.68427615943762 0.10543146915423 15.999 > 53 56 O 0.50000000000000 0.68427615943762 0.10543146915423 15.999 > 53 57 O 0.00000000000000 0.31572384056238 0.89456853084577 15.999 > 57 58 O 0.50000000000000 0.31572384056238 0.89456853084577 15.999 > 57 59 O 0.00000000000000 0.81572384056238 0.89456853084577 15.999 > 57 60 O 0.50000000000000 0.81572384056238 0.89456853084577 15.999 > 57 61 O 0.00000000000000 0.31572384056238 0.60543146915423 15.999 > 61 62 O 0.50000000000000 0.31572384056238 0.60543146915423 15.999 > 61 63 O 0.00000000000000 0.81572384056238 0.60543146915423 15.999 > 61 64 O 0.50000000000000 0.81572384056238 0.60543146915423 15.999 > 61 65 O 0.18427615943762 0.18427615943762 0.89456853084577 15.999 > 65 66 O 0.68427615943762 0.18427615943762 0.89456853084577 15.999 > 65 67 O 0.18427615943762 0.68427615943762 0.89456853084577 15.999 > 65 68 O 0.68427615943762 0.68427615943762 0.89456853084577 15.999 > 65 69 O 0.18427615943762 0.18427615943762 0.60543146915423 15.999 > 69 70 O 0.68427615943762 0.18427615943762 0.60543146915423 15.999 > 69 71 O 0.18427615943762 0.68427615943762 0.60543146915423 15.999 > 69 72 O 0.68427615943762 0.68427615943762 0.60543146915423 15.999 > 69 73 O 0.31572384056238 0.31572384056238 0.39456853084577 15.999 > 73 74 O 0.81572384056238 0.31572384056238 0.39456853084577 15.999 > 73 75 O 0.31572384056238 0.81572384056238 0.39456853084577 15.999 > 73 76 O 0.81572384056238 0.81572384056238 0.39456853084577 15.999 > 73 77 O 0.31572384056238 0.31572384056238 0.10543146915423 15.999 > 77 78 O 0.81572384056238 0.31572384056238 0.10543146915423 15.999 > 77 79 O 0.31572384056238 0.81572384056238 0.10543146915423 15.999 > 77 80 O 0.81572384056238 0.81572384056238 0.10543146915423 15.999 > 77 81 O 0.18427615943762 0.00000000000000 0.39456853084577 15.999 > 81 82 O 0.68427615943762 0.00000000000000 0.39456853084577 15.999 > 81 83 O 0.18427615943762 0.50000000000000 0.39456853084577 15.999 > 81 84 O 0.68427615943762 0.50000000000000 0.39456853084577 15.999 > 81 85 O 0.18427615943762 0.00000000000000 0.10543146915423 15.999 > 85 86 O 0.68427615943762 0.00000000000000 0.10543146915423 15.999 > 85 87 O 0.18427615943762 0.50000000000000 0.10543146915423 15.999 > 85 88 O 0.68427615943762 0.50000000000000 0.10543146915423 15.999 > 85 89 O 0.31572384056238 0.00000000000000 0.89456853084577 15.999 > 89 90 O 0.81572384056238 0.00000000000000 0.89456853084577 15.999 > 89 91 O 0.31572384056238 0.50000000000000 0.89456853084577 15.999 > 89 92 O 0.81572384056238 0.50000000000000 0.89456853084577 15.999 > 89 93 O 0.31572384056238 0.00000000000000 0.60543146915423 15.999 > 93 94 O 0.81572384056238 0.00000000000000 0.60543146915423 15.999 > 93 95 O 0.31572384056238 0.50000000000000 0.60543146915423 15.999 > 93 96 O 0.81572384056238 0.50000000000000 0.60543146915423 15.999 > 93----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.6826269 -0.0000000 0.0000000 -0.0000000 3.6826269 0.0000000 0.0000000 0.0000000 3.1191021-------------------------- Born effective charges -------------------------- 1 Na 1.0573675 0.1058872 0.0000000 0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 2 Na 1.0573675 -0.1058872 0.0000000 -0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 3 Na 1.0573675 0.1058872 0.0000000 0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 4 Na 1.0877241 -0.0000000 0.0000000 0.0000000 1.0877241 0.0000000 0.0000000 0.0000000 0.5895359 5 Na 1.0877241 -0.0000000 0.0000000 0.0000000 1.0877241 0.0000000 0.0000000 0.0000000 0.5895359 6 Na 0.8739655 0.0000000 0.0000000 -0.0000000 1.1185015 0.0000000 0.0000000 0.0000000 1.3960719 7 Na 1.0573675 -0.1058872 0.0000000 -0.1058872 0.9350995 0.0000000 0.0000000 0.0000000 1.3960719 8 Na 0.8739655 0.0000000 0.0000000 -0.0000000 1.1185015 0.0000000 0.0000000 0.0000000 1.3960719 9 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 10 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 11 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 12 Sn 4.0562254 -0.0000000 0.0000000 0.0000000 4.0562254 0.0000000 0.0000000 0.0000000 2.3794517 13 O -2.2512186 -0.3805997 0.0780842 -0.3805997 -1.8117399 -0.1352457 0.1231725 -0.2133410 -1.5894425 14 O -2.2512186 -0.3805997 -0.0780842 -0.3805997 -1.8117399 0.1352457 -0.1231725 0.2133410 -1.5894425 15 O -2.2512186 -0.3805997 -0.0780842 -0.3805997 -1.8117399 0.1352457 -0.1231725 0.2133410 -1.5894425 16 O -2.2512186 -0.3805997 0.0780842 -0.3805997 -1.8117399 -0.1352457 0.1231725 -0.2133410 -1.5894425 17 O -2.2512186 0.3805997 -0.0780842 0.3805997 -1.8117399 -0.1352457 -0.1231725 -0.2133410 -1.5894425 18 O -2.2512186 0.3805997 0.0780842 0.3805997 -1.8117399 0.1352457 0.1231725 0.2133410 -1.5894425 19 O -2.2512186 0.3805997 0.0780842 0.3805997 -1.8117399 0.1352457 0.1231725 0.2133410 -1.5894425 20 O -2.2512186 0.3805997 -0.0780842 0.3805997 -1.8117399 -0.1352457 -0.1231725 -0.2133410 -1.5894425 21 O -1.5920005 -0.0000000 -0.1561683 -0.0000000 -2.4709579 0.0000000 -0.2463450 0.0000000 -1.5894425 22 O -1.5920005 -0.0000000 0.1561683 -0.0000000 -2.4709579 0.0000000 0.2463450 -0.0000000 -1.5894425 23 O -1.5920005 -0.0000000 0.1561683 -0.0000000 -2.4709579 0.0000000 0.2463450 -0.0000000 -1.5894425 24 O -1.5920005 -0.0000000 -0.1561683 -0.0000000 -2.4709579 0.0000000 -0.2463450 0.0000000 -1.5894425----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000004 (xyz) 0.00000004 (xyz) 0.00000004 (xzy)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 10 10 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: 0.62, Number of G-points: 307, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/42) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 5.255 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.538 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.764 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 5.943 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 0.000) 0.000 6.050 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.520 ( 0.000 0.000 0.000) 0.000 7.546 ( 0.000 0.000 0.000) 0.000 7.546 ( 0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.843 ( 0.000 0.000 0.000) 0.000 7.843 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 8.732 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.562 ( 0.000 0.000 0.000) 0.000 9.778 ( 0.000 0.000 0.000) 0.000 9.890 ( 0.000 0.000 0.000) 0.000 9.890 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.774 ( 0.000 0.000 0.000) 0.000 11.055 ( 0.000 0.000 0.000) 0.000 11.324 ( 0.000 0.000 0.000) 0.000 11.324 ( 0.000 0.000 0.000) 0.000 11.372 ( 0.000 0.000 0.000) 0.000 11.372 ( 0.000 0.000 0.000) 0.000 11.935 ( 0.000 0.000 0.000) 0.000 11.935 ( 0.000 0.000 0.000) 0.000 12.589 ( 0.000 0.000 0.000) 0.000 12.589 ( 0.000 0.000 0.000) 0.000 13.282 ( 0.000 0.000 0.000) 0.000 13.282 ( 0.000 0.000 0.000) 0.000 13.563 ( 0.000 0.000 0.000) 0.000 13.563 ( 0.000 0.000 0.000) 0.000 13.732 ( 0.000 0.000 0.000) 0.000 14.282 ( 0.000 0.000 0.000) 0.000 14.556 ( 0.000 0.000 0.000) 0.000 15.134 ( 0.000 0.000 0.000) 0.000 15.134 ( 0.000 0.000 0.000) 0.000 15.601 ( 0.000 0.000 0.000) 0.000 15.601 ( 0.000 0.000 0.000) 0.000 16.063 ( 0.000 0.000 0.000) 0.000 16.132 ( 0.000 0.000 0.000) 0.000 16.143 ( 0.000 0.000 0.000) 0.000 16.313 ( 0.000 0.000 0.000) 0.000 17.032 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/42) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.361 ( 17.045 9.841 0.000) 19.682 0.748 ( 31.013 17.905 0.000) 35.810 1.335 ( 54.501 31.466 0.000) 62.933 1.478 ( 16.646 9.611 0.000) 19.221 1.812 ( 37.914 21.890 0.000) 43.780 3.554 ( -2.479 -1.431 0.000) 2.862 3.653 ( 2.123 1.225 0.000) 2.451 3.795 ( 11.547 6.667 0.000) 13.333 3.849 ( -0.715 -0.413 0.000) 0.826 4.103 ( 0.592 0.342 0.000) 0.683 4.429 ( 7.217 4.167 0.000) 8.333 4.518 ( -4.609 -2.661 0.000) 5.322 5.247 ( -0.720 -0.415 0.000) 0.831 5.252 ( -12.883 -7.438 0.000) 14.876 5.440 ( -6.728 -3.884 0.000) 7.768 5.543 ( -2.216 -1.280 0.000) 2.559 5.566 ( -0.497 -0.287 0.000) 0.574 5.677 ( -15.742 -9.089 0.000) 18.177 5.803 ( 1.596 0.922 0.000) 1.843 5.918 ( 7.000 4.042 0.000) 8.083 5.961 ( 1.282 0.740 0.000) 1.480 5.992 ( 3.953 2.282 0.000) 4.564 6.003 ( -5.175 -2.988 0.000) 5.975 6.328 ( 10.021 5.786 0.000) 11.571 7.123 ( -2.871 -1.658 0.000) 3.315 7.171 ( -22.456 -12.965 0.000) 25.930 7.238 ( -8.306 -4.796 0.000) 9.591 7.270 ( -15.862 -9.158 0.000) 18.316 7.378 ( -10.533 -6.081 0.000) 12.163 7.415 ( -14.677 -8.474 0.000) 16.948 7.518 ( -3.469 -2.003 0.000) 4.006 7.529 ( -7.587 -4.381 0.000) 8.761 8.027 ( 8.003 4.620 0.000) 9.241 8.063 ( 12.110 6.992 0.000) 13.984 8.127 ( 4.785 2.762 0.000) 5.525 8.198 ( 11.303 6.526 0.000) 13.052 8.729 ( 0.297 0.171 0.000) 0.343 8.757 ( 2.028 1.171 0.000) 2.341 9.216 ( 1.272 0.735 0.000) 1.469 9.245 ( 3.414 1.971 0.000) 3.943 9.466 ( -7.340 -4.238 0.000) 8.476 9.708 ( -5.632 -3.252 0.000) 6.503 9.946 ( 4.573 2.640 0.000) 5.280 10.118 ( 13.679 7.898 0.000) 15.795 10.237 ( 3.889 2.245 0.000) 4.490 10.727 ( -3.871 -2.235 0.000) 4.470 10.908 ( -6.332 -3.656 0.000) 7.311 11.285 ( 0.802 0.463 0.000) 0.926 11.340 ( 1.332 0.769 0.000) 1.538 11.602 ( 14.105 8.143 0.000) 16.287 11.683 ( 20.654 11.925 0.000) 23.850 11.831 ( -3.350 -1.934 0.000) 3.869 12.028 ( 7.162 4.135 0.000) 8.270 12.071 ( 5.185 2.993 0.000) 5.987 12.689 ( 8.035 4.639 0.000) 9.278 13.133 ( -11.338 -6.546 0.000) 13.092 13.267 ( 6.749 3.897 0.000) 7.793 13.334 ( 4.322 2.495 0.000) 4.991 13.407 ( -11.690 -6.749 0.000) 13.498 13.660 ( -5.704 -3.293 0.000) 6.587 14.336 ( 3.486 2.012 0.000) 4.025 14.614 ( 3.888 2.245 0.000) 4.489 15.085 ( -3.824 -2.208 0.000) 4.415 15.141 ( 0.519 0.300 0.000) 0.599 15.567 ( -2.644 -1.526 0.000) 3.053 15.595 ( -0.586 -0.339 0.000) 0.677 16.039 ( -1.994 -1.151 0.000) 2.302 16.133 ( 0.156 0.090 0.000) 0.180 16.182 ( 3.014 1.740 0.000) 3.480 16.351 ( 2.957 1.707 0.000) 3.415 16.905 ( -10.054 -5.805 0.000) 11.610 17.223 ( -1.923 -1.110 0.000) 2.220======================= Grid point 2 (3/42) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.841 ( 22.706 13.109 0.000) 26.218 1.489 ( 30.270 17.476 0.000) 34.953 1.971 ( 22.707 13.110 0.000) 26.219 2.600 ( 49.840 28.775 0.000) 57.550 2.806 ( 41.739 24.098 0.000) 48.196 3.503 ( -1.341 -0.774 0.000) 1.549 3.729 ( 4.239 2.447 0.000) 4.894 3.825 ( -1.189 -0.687 0.000) 1.373 4.110 ( 4.330 2.500 0.000) 5.000 4.164 ( 13.426 7.752 0.000) 15.503 4.345 ( -9.898 -5.714 0.000) 11.429 4.656 ( 10.528 6.078 0.000) 12.157 4.930 ( -12.979 -7.493 0.000) 14.987 5.220 ( -13.311 -7.685 0.000) 15.370 5.221 ( -1.305 -0.753 0.000) 1.507 5.321 ( -11.410 -6.588 0.000) 13.175 5.481 ( -2.687 -1.551 0.000) 3.103 5.554 ( -0.424 -0.245 0.000) 0.490 5.782 ( -9.656 -5.575 0.000) 11.149 5.824 ( 0.438 0.253 0.000) 0.506 5.992 ( 1.000 0.578 0.000) 1.155 6.100 ( 4.500 2.598 0.000) 5.196 6.127 ( 7.052 4.071 0.000) 8.143 6.501 ( 3.531 2.039 0.000) 4.077 6.587 ( -24.726 -14.275 0.000) 28.551 6.808 ( -19.249 -11.114 0.000) 22.227 6.858 ( -17.822 -10.290 0.000) 20.579 6.970 ( -12.200 -7.043 0.000) 14.087 7.101 ( -11.466 -6.620 0.000) 13.239 7.268 ( -0.266 -0.153 0.000) 0.307 7.400 ( -3.327 -1.921 0.000) 3.841 7.402 ( -5.976 -3.450 0.000) 6.900 8.148 ( -3.213 -1.855 0.000) 3.710 8.150 ( 2.125 1.227 0.000) 2.453 8.341 ( 10.466 6.043 0.000) 12.085 8.450 ( 9.067 5.235 0.000) 10.470 8.760 ( 2.300 1.328 0.000) 2.656 8.827 ( 3.830 2.211 0.000) 4.423 9.255 ( -9.278 -5.357 0.000) 10.714 9.265 ( 2.878 1.662 0.000) 3.324 9.355 ( 5.574 3.218 0.000) 6.436 9.529 ( -8.631 -4.983 0.000) 9.966 10.087 ( 6.555 3.784 0.000) 7.569 10.302 ( -0.087 -0.050 0.000) 0.100 10.368 ( 6.471 3.736 0.000) 7.473 10.594 ( -6.954 -4.015 0.000) 8.029 10.855 ( 1.918 1.108 0.000) 2.215 11.365 ( 5.638 3.255 0.000) 6.510 11.401 ( 3.617 2.088 0.000) 4.176 11.793 ( 0.313 0.181 0.000) 0.362 11.979 ( 15.311 8.840 0.000) 17.679 12.177 ( 3.440 1.986 0.000) 3.972 12.238 ( 8.847 5.108 0.000) 10.216 12.253 ( 24.414 14.096 0.000) 28.191 12.802 ( -14.549 -8.400 0.000) 16.800 12.927 ( 6.868 3.965 0.000) 7.931 13.102 ( -7.690 -4.440 0.000) 8.879 13.479 ( 10.160 5.866 0.000) 11.732 13.483 ( -8.073 -4.661 0.000) 9.322 13.494 ( 9.135 5.274 0.000) 10.548 14.402 ( 1.250 0.722 0.000) 1.443 14.698 ( 2.492 1.439 0.000) 2.878 14.965 ( -5.818 -3.359 0.000) 6.718 15.154 ( 0.510 0.295 0.000) 0.589 15.492 ( -3.172 -1.831 0.000) 3.663 15.567 ( -1.925 -1.111 0.000) 2.223 15.972 ( -3.448 -1.991 0.000) 3.982 16.147 ( 1.170 0.676 0.000) 1.351 16.271 ( 3.984 2.300 0.000) 4.600 16.443 ( 4.471 2.581 0.000) 5.163 16.586 ( -15.419 -8.902 0.000) 17.804 17.154 ( -3.731 -2.154 0.000) 4.308======================= Grid point 3 (4/42) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( 25.898 14.952 0.000) 29.904 2.191 ( 27.555 15.909 0.000) 31.818 2.516 ( 21.595 12.468 0.000) 24.936 3.499 ( 0.870 0.503 0.000) 1.005 3.628 ( 25.875 14.939 0.000) 29.877 3.743 ( 34.926 20.164 0.000) 40.329 3.798 ( -0.792 -0.457 0.000) 0.915 3.922 ( 20.226 11.678 0.000) 23.355 4.038 ( -15.429 -8.908 0.000) 17.815 4.140 ( 0.290 0.168 0.000) 0.335 4.533 ( 12.414 7.167 0.000) 14.334 4.635 ( -9.128 -5.270 0.000) 10.541 4.861 ( -13.628 -7.868 0.000) 15.736 4.892 ( 5.225 3.016 0.000) 6.033 5.106 ( -7.285 -4.206 0.000) 8.412 5.191 ( -1.014 -0.586 0.000) 1.171 5.418 ( -2.827 -1.632 0.000) 3.264 5.544 ( -0.649 -0.375 0.000) 0.749 5.578 ( -5.406 -3.121 0.000) 6.243 5.852 ( 2.394 1.382 0.000) 2.764 5.964 ( -10.040 -5.797 0.000) 11.593 6.067 ( -10.788 -6.229 0.000) 12.457 6.085 ( -6.899 -3.983 0.000) 7.966 6.316 ( 8.235 4.755 0.000) 9.509 6.428 ( -9.574 -5.528 0.000) 11.055 6.432 ( -9.524 -5.499 0.000) 10.998 6.437 ( -16.359 -9.445 0.000) 18.890 6.748 ( -5.337 -3.081 0.000) 6.163 6.853 ( -8.739 -5.045 0.000) 10.091 7.241 ( -7.141 -4.123 0.000) 8.246 7.271 ( 0.063 0.036 0.000) 0.072 7.361 ( -0.072 -0.042 0.000) 0.083 7.981 ( -10.119 -5.842 0.000) 11.684 8.137 ( -2.878 -1.662 0.000) 3.324 8.550 ( 6.694 3.865 0.000) 7.729 8.623 ( 5.364 3.097 0.000) 6.194 8.840 ( 4.298 2.482 0.000) 4.963 8.930 ( 3.309 1.910 0.000) 3.820 9.059 ( -5.276 -3.046 0.000) 6.092 9.315 ( -8.672 -5.007 0.000) 10.013 9.356 ( 4.566 2.636 0.000) 5.273 9.507 ( 6.593 3.807 0.000) 7.613 10.191 ( -7.180 -4.145 0.000) 8.290 10.241 ( 5.961 3.441 0.000) 6.883 10.403 ( -8.583 -4.955 0.000) 9.911 10.530 ( 6.747 3.895 0.000) 7.790 10.937 ( 3.939 2.274 0.000) 4.549 11.490 ( 3.171 1.831 0.000) 3.662 11.543 ( 8.717 5.033 0.000) 10.065 11.847 ( 3.972 2.293 0.000) 4.586 12.163 ( -4.219 -2.436 0.000) 4.872 12.229 ( 0.807 0.466 0.000) 0.932 12.307 ( -6.547 -3.780 0.000) 7.560 12.557 ( -3.516 -2.030 0.000) 4.060 12.748 ( 15.313 8.841 0.000) 17.681 12.855 ( 2.373 1.370 0.000) 2.740 13.327 ( 14.111 8.147 0.000) 16.294 13.351 ( -0.282 -0.163 0.000) 0.325 13.719 ( 9.032 5.215 0.000) 10.430 13.773 ( 13.432 7.755 0.000) 15.510 14.374 ( -3.803 -2.195 0.000) 4.391 14.726 ( -0.019 -0.011 0.000) 0.022 14.819 ( -6.062 -3.500 0.000) 7.000 15.164 ( 0.304 0.175 0.000) 0.351 15.433 ( -1.410 -0.814 0.000) 1.628 15.483 ( -5.680 -3.279 0.000) 6.559 15.879 ( -4.053 -2.340 0.000) 4.680 16.194 ( 2.719 1.570 0.000) 3.140 16.223 ( -13.300 -7.679 0.000) 15.357 16.357 ( 2.837 1.638 0.000) 3.276 16.557 ( 4.779 2.759 0.000) 5.519 17.047 ( -5.003 -2.888 0.000) 5.777======================= Grid point 4 (5/42) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.044 ( 23.228 13.411 0.000) 26.821 2.779 ( 19.922 11.502 0.000) 23.004 2.966 ( 14.762 8.523 0.000) 17.046 3.528 ( 1.025 0.592 0.000) 1.184 3.624 ( -17.962 -10.370 0.000) 20.741 3.805 ( 1.734 1.001 0.000) 2.003 3.820 ( 1.454 0.839 0.000) 1.679 4.104 ( -3.659 -2.113 0.000) 4.225 4.446 ( 22.770 13.146 0.000) 26.293 4.486 ( -10.209 -5.894 0.000) 11.788 4.510 ( -0.542 -0.313 0.000) 0.626 4.641 ( 24.665 14.240 0.000) 28.481 4.798 ( 2.236 1.291 0.000) 2.582 4.858 ( -5.528 -3.191 0.000) 6.383 5.016 ( 0.677 0.391 0.000) 0.781 5.173 ( -0.616 -0.356 0.000) 0.712 5.304 ( -7.644 -4.413 0.000) 8.827 5.514 ( -1.805 -1.042 0.000) 2.084 5.572 ( 2.957 1.707 0.000) 3.414 5.641 ( -8.085 -4.668 0.000) 9.336 5.912 ( -3.377 -1.949 0.000) 3.899 5.944 ( 4.770 2.754 0.000) 5.508 6.009 ( -1.033 -0.596 0.000) 1.192 6.113 ( -9.528 -5.501 0.000) 11.002 6.172 ( -9.511 -5.491 0.000) 10.982 6.271 ( -6.163 -3.558 0.000) 7.116 6.508 ( 7.107 4.103 0.000) 8.207 6.642 ( -4.221 -2.437 0.000) 4.874 6.695 ( -4.261 -2.460 0.000) 4.920 7.072 ( -6.462 -3.731 0.000) 7.462 7.272 ( 0.145 0.084 0.000) 0.167 7.380 ( 1.204 0.695 0.000) 1.390 7.707 ( -11.087 -6.401 0.000) 12.802 8.041 ( -4.160 -2.402 0.000) 4.803 8.665 ( 3.110 1.796 0.000) 3.591 8.720 ( 2.943 1.699 0.000) 3.398 8.869 ( -4.330 -2.500 0.000) 5.000 8.954 ( 4.548 2.626 0.000) 5.252 9.107 ( 4.507 2.602 0.000) 5.205 9.128 ( -6.363 -3.673 0.000) 7.347 9.475 ( 4.849 2.799 0.000) 5.599 9.650 ( 4.685 2.705 0.000) 5.410 10.015 ( -6.503 -3.755 0.000) 7.510 10.204 ( -7.295 -4.212 0.000) 8.423 10.367 ( 4.264 2.462 0.000) 4.923 10.682 ( 5.451 3.147 0.000) 6.295 11.025 ( 3.008 1.737 0.000) 3.474 11.542 ( 1.180 0.681 0.000) 1.362 11.726 ( 3.128 1.806 0.000) 3.612 11.967 ( 5.492 3.171 0.000) 6.341 11.994 ( -1.885 -1.089 0.000) 2.177 12.048 ( -10.825 -6.250 0.000) 12.499 12.213 ( -2.074 -1.197 0.000) 2.395 12.431 ( -9.014 -5.204 0.000) 10.408 12.992 ( 5.749 3.319 0.000) 6.639 13.025 ( 7.788 4.496 0.000) 8.993 13.528 ( 12.871 7.431 0.000) 14.862 13.635 ( 10.350 5.976 0.000) 11.952 13.889 ( 4.826 2.786 0.000) 5.573 14.086 ( 11.179 6.454 0.000) 12.908 14.216 ( -9.065 -5.234 0.000) 10.467 14.681 ( -5.247 -3.029 0.000) 6.059 14.716 ( -0.300 -0.173 0.000) 0.346 15.170 ( 0.159 0.092 0.000) 0.183 15.289 ( -9.337 -5.391 0.000) 10.781 15.428 ( 0.805 0.465 0.000) 0.929 15.786 ( -3.364 -1.942 0.000) 3.884 15.996 ( -5.411 -3.124 0.000) 6.248 16.269 ( 3.195 1.844 0.000) 3.689 16.399 ( 0.586 0.338 0.000) 0.676 16.670 ( 4.589 2.650 0.000) 5.299 16.922 ( -5.211 -3.008 0.000) 6.017======================= Grid point 5 (6/42) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.392 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.309 ( 0.000 0.000 0.000) 0.000 3.539 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 4.018 ( -0.000 -0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.769 ( -0.000 -0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.997 ( -0.000 -0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 5.999 ( 0.000 0.000 0.000) 0.000 6.024 ( -0.000 -0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.577 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.398 ( 0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.706 ( 0.000 0.000 0.000) 0.000 8.761 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 9.018 ( 0.000 0.000 0.000) 0.000 9.041 ( 0.000 0.000 0.000) 0.000 9.168 ( 0.000 0.000 0.000) 0.000 9.546 ( 0.000 0.000 0.000) 0.000 9.709 ( 0.000 0.000 0.000) 0.000 9.926 ( 0.000 0.000 0.000) 0.000 10.102 ( 0.000 0.000 0.000) 0.000 10.424 ( 0.000 0.000 0.000) 0.000 10.757 ( 0.000 0.000 0.000) 0.000 11.064 ( 0.000 0.000 0.000) 0.000 11.554 ( 0.000 0.000 0.000) 0.000 11.701 ( 0.000 0.000 0.000) 0.000 11.901 ( 0.000 0.000 0.000) 0.000 12.064 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 12.160 ( -0.000 -0.000 0.000) 0.000 12.208 ( 0.000 0.000 0.000) 0.000 13.057 ( 0.000 0.000 0.000) 0.000 13.130 ( 0.000 0.000 0.000) 0.000 13.771 ( -0.000 -0.000 0.000) 0.000 13.785 ( 0.000 0.000 0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 14.018 ( 0.000 0.000 0.000) 0.000 14.241 ( -0.000 -0.000 0.000) 0.000 14.600 ( 0.000 0.000 0.000) 0.000 14.719 ( 0.000 0.000 0.000) 0.000 15.145 ( 0.000 0.000 0.000) 0.000 15.172 ( 0.000 0.000 0.000) 0.000 15.445 ( 0.000 0.000 0.000) 0.000 15.740 ( 0.000 0.000 0.000) 0.000 15.937 ( 0.000 0.000 0.000) 0.000 16.318 ( 0.000 0.000 0.000) 0.000 16.398 ( 0.000 0.000 0.000) 0.000 16.758 ( 0.000 0.000 0.000) 0.000 16.825 ( -0.000 -0.000 0.000) 0.000======================= Grid point 12 (7/42) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.699 ( 12.295 21.295 0.000) 24.589 1.285 ( 17.417 30.166 0.000) 34.833 1.829 ( 12.824 22.211 0.000) 25.648 2.276 ( 29.801 51.616 0.000) 59.601 2.532 ( 24.223 41.955 0.000) 48.446 3.516 ( -0.952 -1.648 0.000) 1.903 3.696 ( 1.663 2.881 0.000) 3.327 3.833 ( -0.579 -1.003 0.000) 1.159 4.049 ( 9.520 16.489 0.000) 19.040 4.114 ( 0.424 0.734 0.000) 0.848 4.407 ( -4.644 -8.044 0.000) 9.289 4.589 ( 6.013 10.415 0.000) 12.026 5.012 ( -8.021 -13.892 0.000) 16.041 5.225 ( -0.981 -1.699 0.000) 1.961 5.315 ( -4.387 -7.599 0.000) 8.774 5.386 ( -9.599 -16.626 0.000) 19.198 5.505 ( -1.375 -2.381 0.000) 2.750 5.548 ( -0.620 -1.074 0.000) 1.240 5.819 ( 0.174 0.302 0.000) 0.349 5.853 ( -5.262 -9.115 0.000) 10.525 6.013 ( 1.881 3.258 0.000) 3.762 6.053 ( 3.256 5.639 0.000) 6.511 6.058 ( 2.588 4.483 0.000) 5.176 6.481 ( 3.973 6.882 0.000) 7.947 6.813 ( -12.499 -21.649 0.000) 24.998 6.872 ( -12.773 -22.123 0.000) 25.546 6.932 ( -8.750 -15.155 0.000) 17.499 7.074 ( -11.027 -19.100 0.000) 22.055 7.204 ( -6.028 -10.442 0.000) 12.057 7.218 ( 0.242 0.419 0.000) 0.484 7.439 ( -2.086 -3.613 0.000) 4.172 7.448 ( -2.901 -5.025 0.000) 5.802 8.197 ( 4.501 7.796 0.000) 9.002 8.206 ( 4.177 7.235 0.000) 8.354 8.280 ( 2.760 4.781 0.000) 5.521 8.283 ( 2.902 5.027 0.000) 5.804 8.718 ( 0.058 0.101 0.000) 0.117 8.829 ( 2.587 4.480 0.000) 5.173 9.200 ( 0.404 0.700 0.000) 0.809 9.323 ( -5.018 -8.692 0.000) 10.036 9.351 ( 2.856 4.946 0.000) 5.711 9.619 ( -3.111 -5.389 0.000) 6.222 10.026 ( 3.069 5.316 0.000) 6.138 10.299 ( 2.431 4.211 0.000) 4.863 10.305 ( 2.894 5.013 0.000) 5.789 10.642 ( -3.282 -5.684 0.000) 6.564 10.865 ( 0.829 1.436 0.000) 1.658 11.200 ( -0.577 -0.999 0.000) 1.153 11.618 ( 3.322 5.754 0.000) 6.645 11.690 ( 9.214 15.959 0.000) 18.428 11.881 ( -1.182 -2.047 0.000) 2.364 11.932 ( 2.299 3.982 0.000) 4.598 12.157 ( 15.377 26.634 0.000) 30.755 12.342 ( 7.274 12.599 0.000) 14.549 12.825 ( 4.740 8.210 0.000) 9.480 12.905 ( -8.064 -13.967 0.000) 16.127 13.173 ( -7.884 -13.656 0.000) 15.768 13.395 ( 0.222 0.385 0.000) 0.444 13.434 ( 6.600 11.432 0.000) 13.201 13.571 ( -0.864 -1.496 0.000) 1.728 14.390 ( 1.253 2.170 0.000) 2.506 14.679 ( 1.795 3.108 0.000) 3.589 15.000 ( -3.247 -5.625 0.000) 6.495 15.152 ( 0.354 0.614 0.000) 0.709 15.514 ( -1.962 -3.399 0.000) 3.925 15.578 ( -0.736 -1.275 0.000) 1.472 15.993 ( -1.828 -3.166 0.000) 3.656 16.140 ( 0.470 0.814 0.000) 0.940 16.246 ( 2.289 3.965 0.000) 4.578 16.416 ( 2.451 4.245 0.000) 4.902 16.673 ( -8.850 -15.328 0.000) 17.700 17.184 ( -1.666 -2.885 0.000) 3.331======================= Grid point 13 (8/42) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.217 ( 19.108 22.181 0.000) 29.276 1.939 ( 22.320 24.528 0.000) 33.164 2.338 ( 17.123 21.029 0.000) 27.119 3.316 ( 29.212 32.788 0.000) 43.913 3.416 ( 28.660 31.566 0.000) 42.636 3.519 ( 2.826 5.927 0.000) 6.567 3.767 ( 3.807 0.412 0.000) 3.829 3.820 ( 0.635 0.895 0.000) 1.097 4.130 ( 0.649 0.259 0.000) 0.699 4.178 ( -10.271 -10.150 0.000) 14.440 4.426 ( 11.940 15.313 0.000) 19.418 4.717 ( -8.622 -9.983 0.000) 13.191 4.813 ( 6.223 5.202 0.000) 8.110 5.016 ( -12.913 -11.863 0.000) 17.535 5.156 ( -4.809 -7.633 0.000) 9.022 5.180 ( -0.870 -3.268 0.000) 3.381 5.446 ( -2.442 -2.208 0.000) 3.292 5.534 ( 0.294 -1.089 0.000) 1.128 5.648 ( -6.215 -5.952 0.000) 8.605 5.838 ( 1.126 1.531 0.000) 1.901 6.040 ( -3.113 1.812 0.000) 3.602 6.091 ( -1.730 -5.441 0.000) 5.709 6.168 ( 1.179 -3.591 0.000) 3.779 6.317 ( -14.035 -7.189 0.000) 15.769 6.478 ( -6.711 -20.797 0.000) 21.853 6.541 ( -4.453 -0.052 0.000) 4.453 6.568 ( -12.864 -10.171 0.000) 16.399 6.756 ( -3.219 -9.992 0.000) 10.497 6.977 ( -8.540 -6.145 0.000) 10.521 7.237 ( 1.531 -1.267 0.000) 1.987 7.320 ( -5.548 -4.398 0.000) 7.080 7.380 ( -1.634 -0.736 0.000) 1.792 8.190 ( -12.718 4.347 0.000) 13.441 8.232 ( -5.230 5.664 0.000) 7.709 8.414 ( 10.291 0.699 0.000) 10.315 8.463 ( 10.796 -4.240 0.000) 11.599 8.751 ( 3.672 -0.213 0.000) 3.678 8.928 ( 2.785 5.253 0.000) 5.945 9.135 ( -6.698 -5.825 0.000) 8.877 9.252 ( 3.861 0.207 0.000) 3.867 9.406 ( -0.754 -1.838 0.000) 1.987 9.525 ( -3.063 4.481 0.000) 5.428 10.151 ( 5.114 2.759 0.000) 5.811 10.281 ( -4.617 -2.565 0.000) 5.281 10.410 ( 5.801 0.845 0.000) 5.862 10.500 ( -5.565 -4.691 0.000) 7.279 10.947 ( 1.253 7.037 0.000) 7.148 11.249 ( 8.104 -4.255 0.000) 9.154 11.669 ( -2.071 8.914 0.000) 9.152 11.813 ( -1.378 -2.582 0.000) 2.926 12.073 ( 6.878 -0.085 0.000) 6.879 12.081 ( 12.767 7.153 0.000) 14.634 12.551 ( -2.935 15.157 0.000) 15.439 12.610 ( -8.236 -6.498 0.000) 10.491 12.692 ( 12.054 20.548 0.000) 23.823 12.841 ( -2.800 -7.647 0.000) 8.143 13.121 ( 11.211 4.335 0.000) 12.020 13.284 ( -1.299 -10.524 0.000) 10.604 13.706 ( 7.325 14.693 0.000) 16.418 13.713 ( 6.976 12.541 0.000) 14.350 14.394 ( -1.437 -2.070 0.000) 2.520 14.721 ( 0.556 0.422 0.000) 0.698 14.868 ( -4.475 -5.570 0.000) 7.145 15.163 ( 0.208 0.388 0.000) 0.440 15.441 ( -1.933 -2.866 0.000) 3.457 15.529 ( -2.908 -2.833 0.000) 4.060 15.909 ( -3.225 -4.278 0.000) 5.357 16.173 ( 1.644 1.914 0.000) 2.523 16.325 ( -10.614 -14.339 0.000) 17.840 16.331 ( 2.610 3.077 0.000) 4.035 16.517 ( 3.570 4.212 0.000) 5.521 17.100 ( -3.908 -3.360 0.000) 5.154======================= Grid point 14 (9/42) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.818 ( 21.185 21.191 0.000) 29.964 2.567 ( 20.635 19.560 0.000) 28.433 2.839 ( 14.516 17.791 0.000) 22.962 3.522 ( 1.456 2.155 0.000) 2.601 3.763 ( 1.760 -0.751 0.000) 1.913 3.825 ( 0.604 2.907 0.000) 2.969 3.827 ( -15.803 -11.058 0.000) 19.287 4.110 ( 0.289 -1.755 0.000) 1.779 4.161 ( 24.047 17.656 0.000) 29.832 4.274 ( 25.029 13.136 0.000) 28.267 4.500 ( -4.137 -6.634 0.000) 7.818 4.634 ( -8.142 -2.223 0.000) 8.440 4.798 ( 4.842 6.866 0.000) 8.402 4.890 ( -0.484 -2.359 0.000) 2.408 5.002 ( -3.609 -6.026 0.000) 7.025 5.138 ( 0.839 -4.310 0.000) 4.391 5.348 ( -4.944 -6.790 0.000) 8.400 5.528 ( -0.316 -0.350 0.000) 0.471 5.587 ( -0.014 4.823 0.000) 4.823 5.772 ( -13.375 -9.105 0.000) 16.180 5.870 ( -4.293 -12.402 0.000) 13.124 5.922 ( 3.170 2.895 0.000) 4.293 5.965 ( -3.775 -10.783 0.000) 11.424 6.247 ( -5.302 -0.827 0.000) 5.366 6.300 ( -9.167 -2.771 0.000) 9.577 6.411 ( 7.768 3.941 0.000) 8.710 6.427 ( -7.317 2.076 0.000) 7.606 6.679 ( -2.067 -2.630 0.000) 3.345 6.797 ( -6.751 -0.889 0.000) 6.809 7.168 ( -6.877 -2.388 0.000) 7.280 7.243 ( 1.333 -2.301 0.000) 2.659 7.371 ( 0.571 0.836 0.000) 1.012 7.936 ( -17.112 0.433 0.000) 17.117 8.146 ( -7.850 1.854 0.000) 8.066 8.566 ( 7.274 -2.410 0.000) 7.663 8.580 ( 8.867 -7.114 0.000) 11.368 8.833 ( 4.296 -0.683 0.000) 4.350 8.985 ( -4.131 -0.152 0.000) 4.134 9.041 ( 4.373 2.201 0.000) 4.895 9.218 ( -6.529 -2.122 0.000) 6.866 9.427 ( 5.021 2.494 0.000) 5.607 9.592 ( 3.239 3.406 0.000) 4.701 10.116 ( -7.347 -2.490 0.000) 7.758 10.282 ( 5.353 -0.049 0.000) 5.353 10.313 ( -8.071 -3.195 0.000) 8.681 10.548 ( 7.922 -2.269 0.000) 8.241 11.034 ( 0.790 6.413 0.000) 6.461 11.335 ( 7.110 -9.205 0.000) 11.631 11.749 ( 2.565 -13.495 0.000) 13.737 11.760 ( 4.990 5.080 0.000) 7.121 12.148 ( -9.480 6.041 0.000) 11.241 12.152 ( 0.365 3.926 0.000) 3.943 12.465 ( -4.099 -5.892 0.000) 7.178 12.474 ( -13.009 9.613 0.000) 16.175 12.937 ( 8.269 6.456 0.000) 10.491 13.026 ( 3.509 14.626 0.000) 15.041 13.304 ( 13.280 -2.289 0.000) 13.475 13.390 ( 13.808 0.035 0.000) 13.808 13.974 ( 3.566 16.794 0.000) 17.169 14.007 ( 9.075 12.858 0.000) 15.738 14.281 ( -5.778 -7.074 0.000) 9.134 14.714 ( -0.383 -1.199 0.000) 1.259 14.734 ( -4.480 -4.242 0.000) 6.170 15.168 ( 0.100 0.103 0.000) 0.143 15.358 ( -6.347 -7.084 0.000) 9.511 15.425 ( -1.138 -1.965 0.000) 2.271 15.784 ( -3.142 -7.728 0.000) 8.342 16.067 ( -5.706 -4.843 0.000) 7.484 16.238 ( 2.731 2.627 0.000) 3.790 16.391 ( 1.222 1.428 0.000) 1.879 16.625 ( 3.835 3.617 0.000) 5.272 16.980 ( -4.941 -3.723 0.000) 6.187======================= Grid point 15 (10/42) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( 12.562 15.158 0.000) 19.687 3.024 ( 9.042 11.433 0.000) 14.576 3.183 ( 5.648 11.694 0.000) 12.987 3.425 ( -14.563 -8.025 0.000) 16.628 3.555 ( -0.453 2.127 0.000) 2.175 3.801 ( 2.995 -0.695 0.000) 3.075 3.844 ( 0.528 0.690 0.000) 0.869 4.026 ( -3.330 -4.673 0.000) 5.738 4.326 ( -3.316 -7.911 0.000) 8.578 4.512 ( 3.405 -0.681 0.000) 3.473 4.635 ( 15.409 4.192 0.000) 15.969 4.647 ( 5.436 -6.660 0.000) 8.597 4.759 ( -3.290 -5.865 0.000) 6.724 4.991 ( 4.255 7.878 0.000) 8.953 5.009 ( 3.204 -0.276 0.000) 3.216 5.089 ( -4.049 -11.939 0.000) 12.607 5.138 ( 0.072 -6.785 0.000) 6.785 5.519 ( -1.248 1.691 0.000) 2.102 5.545 ( -0.407 -9.888 0.000) 9.897 5.586 ( -3.049 -1.125 0.000) 3.250 5.823 ( 1.577 -9.931 0.000) 10.055 5.880 ( 7.750 8.301 0.000) 11.356 6.060 ( 2.747 6.839 0.000) 7.370 6.135 ( -11.158 2.251 0.000) 11.383 6.198 ( -5.440 7.811 0.000) 9.518 6.330 ( -7.783 6.982 0.000) 10.455 6.571 ( 5.253 1.954 0.000) 5.604 6.608 ( -2.639 -0.697 0.000) 2.730 6.713 ( -4.175 2.672 0.000) 4.957 7.045 ( -5.768 2.291 0.000) 6.206 7.245 ( 1.758 -2.688 0.000) 3.212 7.410 ( 1.000 3.115 0.000) 3.271 7.648 ( -11.960 -0.139 0.000) 11.960 8.033 ( -4.944 1.361 0.000) 5.128 8.635 ( 4.674 -4.714 0.000) 6.638 8.642 ( 7.199 -8.989 0.000) 11.516 8.825 ( -1.772 -0.687 0.000) 1.900 9.003 ( 2.361 1.026 0.000) 2.574 9.093 ( -4.958 0.896 0.000) 5.038 9.129 ( 3.201 -0.366 0.000) 3.222 9.539 ( 2.846 2.353 0.000) 3.693 9.672 ( 3.142 -0.532 0.000) 3.187 9.981 ( -5.061 0.633 0.000) 5.100 10.161 ( -5.667 0.319 0.000) 5.676 10.357 ( 4.446 -3.468 0.000) 5.639 10.644 ( 7.047 -6.562 0.000) 9.629 11.104 ( -0.502 5.504 0.000) 5.527 11.309 ( 5.154 -13.609 0.000) 14.553 11.643 ( 5.279 -17.022 0.000) 17.821 11.955 ( 7.778 6.591 0.000) 10.195 12.062 ( -7.316 11.355 0.000) 13.508 12.201 ( -1.164 6.403 0.000) 6.508 12.250 ( -9.054 -9.515 0.000) 13.135 12.379 ( -11.404 14.219 0.000) 18.227 13.119 ( 3.632 4.400 0.000) 5.705 13.158 ( -2.798 10.588 0.000) 10.951 13.572 ( 8.999 -6.185 0.000) 10.920 13.611 ( 16.552 1.080 0.000) 16.587 14.052 ( -7.737 -10.020 0.000) 12.660 14.158 ( -3.649 16.673 0.000) 17.068 14.252 ( 3.907 8.140 0.000) 9.029 14.624 ( -3.275 -2.203 0.000) 3.947 14.709 ( 1.001 -0.108 0.000) 1.007 15.127 ( -4.743 -9.805 0.000) 10.892 15.169 ( 0.101 -0.103 0.000) 0.144 15.435 ( 1.446 0.007 0.000) 1.446 15.673 ( 0.882 -8.194 0.000) 8.241 15.988 ( -2.749 2.073 0.000) 3.443 16.310 ( 1.846 1.911 0.000) 2.657 16.403 ( -0.419 0.073 0.000) 0.425 16.730 ( 3.871 2.911 0.000) 4.844 16.855 ( -4.376 -3.399 0.000) 5.541======================= Grid point 23 (11/42) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.735 ( 15.416 26.701 0.000) 30.831 2.476 ( 15.058 26.081 0.000) 30.115 2.803 ( 12.948 22.426 0.000) 25.896 3.518 ( 2.000 3.464 0.000) 4.000 3.744 ( -0.732 -1.268 0.000) 1.464 3.846 ( 0.710 1.230 0.000) 1.420 3.921 ( -8.374 -14.504 0.000) 16.748 4.023 ( 14.297 24.762 0.000) 28.593 4.066 ( 14.006 24.259 0.000) 28.012 4.121 ( -0.789 -1.367 0.000) 1.579 4.506 ( -4.855 -8.409 0.000) 9.710 4.739 ( 7.576 13.123 0.000) 15.153 4.746 ( -7.347 -12.726 0.000) 14.695 4.875 ( 0.896 1.553 0.000) 1.793 5.009 ( -4.461 -7.726 0.000) 8.922 5.099 ( -2.260 -3.914 0.000) 4.519 5.357 ( -4.404 -7.629 0.000) 8.809 5.527 ( 0.185 0.321 0.000) 0.371 5.625 ( 3.044 5.273 0.000) 6.088 5.833 ( -10.001 -17.322 0.000) 20.002 5.900 ( -10.028 -17.369 0.000) 20.057 5.900 ( -6.843 -11.852 0.000) 13.685 5.910 ( 3.352 5.806 0.000) 6.704 6.308 ( 2.455 4.252 0.000) 4.910 6.332 ( 2.000 3.464 0.000) 4.000 6.390 ( -2.949 -5.108 0.000) 5.898 6.504 ( -1.188 -2.057 0.000) 2.376 6.676 ( -0.594 -1.028 0.000) 1.187 6.859 ( -2.620 -4.538 0.000) 5.240 7.210 ( -0.895 -1.550 0.000) 1.789 7.227 ( -2.348 -4.067 0.000) 4.697 7.372 ( 0.245 0.424 0.000) 0.490 8.270 ( -2.874 -4.979 0.000) 5.749 8.292 ( -2.273 -3.936 0.000) 4.545 8.314 ( -0.933 -1.615 0.000) 1.865 8.401 ( 0.773 1.340 0.000) 1.547 8.782 ( 1.903 3.295 0.000) 3.805 9.002 ( -0.994 -1.722 0.000) 1.989 9.039 ( 0.228 0.396 0.000) 0.457 9.309 ( 2.440 4.226 0.000) 4.880 9.339 ( -2.012 -3.484 0.000) 4.023 9.601 ( 1.417 2.455 0.000) 2.835 10.197 ( -2.754 -4.771 0.000) 5.509 10.206 ( 1.086 1.881 0.000) 2.172 10.392 ( -3.002 -5.200 0.000) 6.004 10.431 ( 0.405 0.701 0.000) 0.810 11.100 ( 3.628 6.284 0.000) 7.256 11.183 ( -1.383 -2.395 0.000) 2.766 11.649 ( -6.149 -10.651 0.000) 12.298 11.726 ( 0.158 0.273 0.000) 0.315 12.171 ( 3.649 6.321 0.000) 7.299 12.276 ( 3.072 5.321 0.000) 6.145 12.506 ( -0.847 -1.467 0.000) 1.694 12.691 ( -1.392 -2.412 0.000) 2.785 12.872 ( 6.858 11.878 0.000) 13.715 13.080 ( 7.641 13.234 0.000) 15.281 13.128 ( 0.070 0.121 0.000) 0.139 13.244 ( 4.214 7.299 0.000) 8.428 13.997 ( 8.062 13.963 0.000) 16.123 14.034 ( 9.094 15.752 0.000) 18.188 14.294 ( -4.488 -7.773 0.000) 8.976 14.710 ( -0.793 -1.373 0.000) 1.586 14.751 ( -3.033 -5.253 0.000) 6.066 15.168 ( 0.063 0.109 0.000) 0.126 15.386 ( -1.204 -2.085 0.000) 2.408 15.419 ( -4.989 -8.641 0.000) 9.978 15.767 ( -5.340 -9.248 0.000) 10.679 16.092 ( -3.517 -6.091 0.000) 7.033 16.227 ( 1.849 3.203 0.000) 3.699 16.387 ( 1.191 2.063 0.000) 2.382 16.609 ( 2.570 4.451 0.000) 5.139 17.009 ( -3.040 -5.266 0.000) 6.080======================= Grid point 24 (12/42) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.291 ( 15.548 23.433 0.000) 28.122 2.978 ( 12.713 18.836 0.000) 22.725 3.218 ( 7.896 16.666 0.000) 18.442 3.585 ( -12.366 -11.385 0.000) 16.809 3.592 ( 0.663 4.494 0.000) 4.543 3.733 ( 2.156 -1.585 0.000) 2.676 3.849 ( -0.456 -0.191 0.000) 0.494 4.047 ( -4.059 -3.968 0.000) 5.676 4.285 ( 0.347 -6.485 0.000) 6.494 4.416 ( 11.880 6.688 0.000) 13.634 4.417 ( 2.856 -2.294 0.000) 3.663 4.525 ( -2.997 -8.161 0.000) 8.694 4.778 ( -6.157 -9.372 0.000) 11.213 4.948 ( 4.670 4.104 0.000) 6.217 5.007 ( 3.132 6.718 0.000) 7.412 5.034 ( -0.120 -5.338 0.000) 5.339 5.085 ( -9.032 -17.194 0.000) 19.422 5.477 ( -7.118 -15.795 0.000) 17.324 5.540 ( 0.294 1.234 0.000) 1.268 5.643 ( -5.231 -3.372 0.000) 6.224 5.725 ( -1.058 -8.691 0.000) 8.755 5.856 ( 8.678 14.497 0.000) 16.896 6.079 ( 5.175 10.115 0.000) 11.362 6.351 ( -6.229 6.148 0.000) 8.752 6.352 ( -3.001 7.441 0.000) 8.023 6.470 ( -0.829 1.451 0.000) 1.672 6.477 ( 7.343 2.431 0.000) 7.735 6.626 ( -2.324 -3.247 0.000) 3.993 6.790 ( -2.693 -0.912 0.000) 2.844 7.175 ( -2.754 3.955 0.000) 4.819 7.179 ( 0.774 -3.693 0.000) 3.774 7.420 ( 2.533 4.896 0.000) 5.512 7.963 ( -20.096 1.611 0.000) 20.160 8.189 ( -9.520 1.819 0.000) 9.692 8.345 ( 11.080 -14.718 0.000) 18.422 8.458 ( 6.817 -7.400 0.000) 10.062 8.852 ( -0.074 2.456 0.000) 2.457 8.949 ( 1.959 -2.374 0.000) 3.078 9.090 ( 1.580 1.659 0.000) 2.291 9.229 ( -7.177 2.674 0.000) 7.659 9.446 ( 7.803 -0.661 0.000) 7.831 9.638 ( 0.779 1.086 0.000) 1.336 10.087 ( -5.394 -0.510 0.000) 5.419 10.237 ( 3.281 -3.961 0.000) 5.143 10.274 ( -5.847 -0.675 0.000) 5.886 10.450 ( 4.630 -6.381 0.000) 7.884 11.108 ( 0.233 -6.117 0.000) 6.121 11.211 ( 0.577 4.427 0.000) 4.465 11.441 ( -1.521 -13.488 0.000) 13.574 11.794 ( 7.240 1.337 0.000) 7.362 12.225 ( -5.292 -6.798 0.000) 8.615 12.280 ( 0.755 6.218 0.000) 6.264 12.474 ( -8.958 10.925 0.000) 14.128 12.666 ( -5.071 8.250 0.000) 9.684 13.102 ( 5.505 8.668 0.000) 10.269 13.271 ( 8.160 7.302 0.000) 10.950 13.332 ( 9.220 6.685 0.000) 11.389 13.393 ( 6.514 0.405 0.000) 6.526 14.074 ( -7.691 -12.396 0.000) 14.588 14.261 ( 5.942 10.690 0.000) 12.230 14.330 ( 4.288 16.133 0.000) 16.693 14.651 ( -2.924 -3.771 0.000) 4.772 14.683 ( 0.588 -1.424 0.000) 1.541 15.151 ( -10.332 -12.410 0.000) 16.148 15.168 ( -0.028 0.008 0.000) 0.029 15.381 ( 2.810 -1.923 0.000) 3.405 15.591 ( -2.741 -9.076 0.000) 9.481 16.043 ( -0.921 1.361 0.000) 1.643 16.298 ( 2.118 3.007 0.000) 3.678 16.410 ( -0.050 0.269 0.000) 0.273 16.698 ( 2.863 3.100 0.000) 4.220 16.891 ( -3.866 -4.617 0.000) 6.022======================= Grid point 25 (13/42) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.635 ( -6.367 11.028 0.000) 12.734 3.220 ( -3.712 6.430 0.000) 7.424 3.266 ( 2.438 -4.223 0.000) 4.876 3.461 ( -6.359 11.015 0.000) 12.719 3.617 ( -2.140 3.707 0.000) 4.280 3.786 ( 0.836 -1.449 0.000) 1.673 3.831 ( 0.990 -1.715 0.000) 1.980 3.963 ( -0.248 0.429 0.000) 0.496 4.189 ( 2.560 -4.434 0.000) 5.120 4.460 ( 6.489 -11.239 0.000) 12.978 4.481 ( 1.085 -1.879 0.000) 2.170 4.625 ( 3.269 -5.662 0.000) 6.538 4.633 ( 2.531 -4.384 0.000) 5.062 4.796 ( 5.987 -10.370 0.000) 11.974 5.011 ( -0.077 0.134 0.000) 0.155 5.019 ( 3.043 -5.271 0.000) 6.087 5.074 ( -0.951 1.648 0.000) 1.902 5.314 ( 5.119 -8.866 0.000) 10.237 5.559 ( -0.807 1.398 0.000) 1.614 5.578 ( -0.263 0.455 0.000) 0.526 5.674 ( 2.700 -4.677 0.000) 5.401 6.112 ( -4.353 7.539 0.000) 8.705 6.225 ( -5.045 8.739 0.000) 10.091 6.227 ( -4.187 7.252 0.000) 8.374 6.364 ( -4.360 7.551 0.000) 8.719 6.469 ( -2.767 4.792 0.000) 5.533 6.581 ( 0.813 -1.408 0.000) 1.626 6.590 ( 1.199 -2.076 0.000) 2.397 6.741 ( -0.047 0.081 0.000) 0.094 7.167 ( 2.428 -4.206 0.000) 4.857 7.186 ( -5.350 9.266 0.000) 10.700 7.544 ( -4.635 8.028 0.000) 9.269 7.694 ( -3.715 6.434 0.000) 7.429 8.095 ( -2.737 4.740 0.000) 5.473 8.371 ( 9.397 -16.277 0.000) 18.795 8.481 ( 5.469 -9.472 0.000) 10.938 8.844 ( -1.291 2.236 0.000) 2.582 8.981 ( 1.682 -2.914 0.000) 3.365 9.115 ( 0.285 -0.493 0.000) 0.569 9.170 ( -3.617 6.264 0.000) 7.233 9.526 ( 2.563 -4.439 0.000) 5.126 9.652 ( 0.351 -0.608 0.000) 0.702 10.028 ( -1.897 3.285 0.000) 3.793 10.207 ( -2.024 3.506 0.000) 4.048 10.245 ( 3.623 -6.275 0.000) 7.246 10.459 ( 5.357 -9.279 0.000) 10.714 11.073 ( 4.605 -7.976 0.000) 9.210 11.238 ( -3.587 6.212 0.000) 7.173 11.352 ( 5.892 -10.206 0.000) 11.784 11.957 ( 3.284 -5.689 0.000) 6.569 12.046 ( 1.623 -2.811 0.000) 3.246 12.321 ( -2.746 4.756 0.000) 5.492 12.449 ( -9.921 17.184 0.000) 19.843 12.665 ( -6.480 11.223 0.000) 12.960 13.207 ( -2.351 4.072 0.000) 4.702 13.362 ( -4.500 7.794 0.000) 9.000 13.457 ( 2.752 -4.767 0.000) 5.505 13.571 ( 3.168 -5.487 0.000) 6.336 13.850 ( 4.129 -7.152 0.000) 8.258 14.391 ( -2.749 4.762 0.000) 5.498 14.463 ( -6.451 11.173 0.000) 12.901 14.588 ( 0.786 -1.361 0.000) 1.571 14.731 ( -1.039 1.799 0.000) 2.077 14.916 ( 4.874 -8.442 0.000) 9.748 15.168 ( -0.013 0.023 0.000) 0.027 15.426 ( 0.717 -1.243 0.000) 1.435 15.493 ( 4.433 -7.677 0.000) 8.865 16.047 ( -1.624 2.814 0.000) 3.249 16.343 ( -0.688 1.191 0.000) 1.376 16.402 ( 0.068 -0.118 0.000) 0.136 16.781 ( -0.257 0.445 0.000) 0.514 16.788 ( 0.833 -1.443 0.000) 1.666======================= Grid point 35 (14/42) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.760 ( 11.647 20.173 0.000) 23.294 3.216 ( -8.364 -14.487 0.000) 16.729 3.283 ( 4.771 8.263 0.000) 9.542 3.604 ( 5.204 9.013 0.000) 10.407 3.698 ( 2.568 4.449 0.000) 5.137 3.714 ( 0.507 0.877 0.000) 1.013 3.820 ( -2.153 -3.730 0.000) 4.306 4.009 ( 2.025 3.508 0.000) 4.051 4.168 ( -2.488 -4.309 0.000) 4.975 4.270 ( -6.190 -10.722 0.000) 12.381 4.458 ( 1.644 2.848 0.000) 3.288 4.504 ( 2.405 4.166 0.000) 4.811 4.591 ( -4.264 -7.386 0.000) 8.528 4.716 ( -8.580 -14.861 0.000) 17.159 4.955 ( -1.319 -2.285 0.000) 2.638 5.011 ( 0.890 1.541 0.000) 1.779 5.094 ( 1.538 2.663 0.000) 3.075 5.217 ( -4.607 -7.979 0.000) 9.214 5.568 ( 0.763 1.321 0.000) 1.525 5.604 ( -0.725 -1.256 0.000) 1.450 5.612 ( -1.397 -2.419 0.000) 2.794 6.172 ( 7.655 13.258 0.000) 15.309 6.309 ( 6.066 10.507 0.000) 12.132 6.393 ( -2.740 -4.745 0.000) 5.479 6.485 ( 1.942 3.364 0.000) 3.884 6.517 ( 1.711 2.964 0.000) 3.423 6.523 ( 1.578 2.734 0.000) 3.157 6.527 ( -3.517 -6.092 0.000) 7.034 6.740 ( -1.710 -2.962 0.000) 3.420 7.111 ( -1.170 -2.026 0.000) 2.339 7.305 ( 3.328 5.765 0.000) 6.657 7.614 ( 7.861 13.615 0.000) 15.722 7.969 ( -4.937 -8.552 0.000) 9.875 8.018 ( -4.712 -8.161 0.000) 9.423 8.207 ( -0.205 -0.354 0.000) 0.409 8.309 ( -2.704 -4.684 0.000) 5.408 8.900 ( -0.118 -0.205 0.000) 0.236 8.914 ( 0.528 0.915 0.000) 1.057 9.111 ( 0.258 0.446 0.000) 0.515 9.297 ( 1.662 2.878 0.000) 3.324 9.412 ( -1.102 -1.908 0.000) 2.203 9.648 ( 0.071 0.123 0.000) 0.142 10.087 ( 0.204 0.354 0.000) 0.409 10.151 ( -1.816 -3.145 0.000) 3.631 10.271 ( -0.021 -0.037 0.000) 0.042 10.332 ( -2.047 -3.546 0.000) 4.095 10.987 ( -1.927 -3.338 0.000) 3.854 11.241 ( -2.934 -5.081 0.000) 5.867 11.319 ( 1.942 3.364 0.000) 3.884 11.862 ( 3.043 5.270 0.000) 6.086 12.035 ( -5.221 -9.043 0.000) 10.442 12.375 ( 1.430 2.477 0.000) 2.860 12.670 ( 3.038 5.262 0.000) 6.076 12.789 ( 1.779 3.082 0.000) 3.559 13.270 ( 3.763 6.517 0.000) 7.525 13.388 ( -0.811 -1.405 0.000) 1.623 13.438 ( 4.075 7.058 0.000) 8.150 13.475 ( 4.485 7.769 0.000) 8.971 13.785 ( -8.159 -14.132 0.000) 16.318 14.442 ( 3.720 6.444 0.000) 7.441 14.571 ( -2.281 -3.951 0.000) 4.562 14.619 ( 6.031 10.446 0.000) 12.062 14.672 ( 0.933 1.617 0.000) 1.867 14.880 ( -7.269 -12.591 0.000) 14.539 15.169 ( 0.021 0.036 0.000) 0.041 15.366 ( 0.569 0.986 0.000) 1.138 15.436 ( -3.186 -5.518 0.000) 6.371 16.080 ( 0.809 1.402 0.000) 1.619 16.356 ( 1.338 2.318 0.000) 2.677 16.401 ( -0.624 -1.080 0.000) 1.247 16.751 ( 1.205 2.087 0.000) 2.410 16.804 ( -1.900 -3.290 0.000) 3.799======================= Grid point 109 (15/42) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.354 ( 0.000 0.000 19.292) 19.292 0.354 ( -0.000 -0.000 19.292) 19.292 1.050 ( 0.000 0.000 56.991) 56.991 1.183 ( -0.000 -0.000 -8.151) 8.151 1.183 ( 0.000 0.000 -8.151) 8.151 3.420 ( 0.000 -0.000 -21.120) 21.120 3.676 ( 0.000 -0.000 5.223) 5.223 3.676 ( 0.000 0.000 5.223) 5.223 3.910 ( 0.000 0.000 5.657) 5.657 4.055 ( 0.000 -0.000 -4.508) 4.508 4.055 ( 0.000 -0.000 -4.508) 4.508 4.472 ( 0.000 0.000 -9.947) 9.947 5.414 ( 0.000 0.000 -1.742) 1.742 5.467 ( 0.000 -0.000 -6.038) 6.038 5.553 ( 0.000 -0.000 8.683) 8.683 5.568 ( 0.000 -0.000 -0.317) 0.317 5.568 ( -0.000 0.000 -0.317) 0.317 5.701 ( -0.000 -0.000 -5.081) 5.081 5.701 ( 0.000 0.000 -5.081) 5.081 6.002 ( -0.000 0.000 4.552) 4.552 6.002 ( 0.000 -0.000 4.552) 4.552 6.011 ( -0.000 0.000 -4.285) 4.285 6.049 ( 0.000 0.000 1.998) 1.998 6.049 ( 0.000 -0.000 1.998) 1.998 7.152 ( 0.000 0.000 2.223) 2.223 7.316 ( -0.000 0.000 -1.977) 1.977 7.556 ( 0.000 0.000 1.017) 1.017 7.556 ( 0.000 0.000 1.017) 1.017 7.666 ( 0.000 0.000 -2.102) 2.102 7.666 ( 0.000 0.000 -2.102) 2.102 7.701 ( -0.000 0.000 17.919) 17.919 7.857 ( -0.000 -0.000 1.394) 1.394 7.857 ( 0.000 -0.000 1.394) 1.394 7.976 ( 0.000 -0.000 -2.279) 2.279 7.976 ( 0.000 -0.000 -2.279) 2.279 8.658 ( 0.000 0.000 -8.011) 8.011 8.780 ( 0.000 -0.000 4.998) 4.998 8.780 ( 0.000 0.000 4.998) 4.998 9.152 ( 0.000 -0.000 -5.079) 5.079 9.152 ( 0.000 0.000 -5.079) 5.079 9.777 ( -0.000 -0.000 0.057) 0.057 9.914 ( 0.000 -0.000 -4.758) 4.758 9.932 ( 0.000 0.000 4.241) 4.241 9.932 ( 0.000 0.000 4.241) 4.241 10.171 ( 0.000 0.000 -2.269) 2.269 10.171 ( 0.000 -0.000 -2.269) 2.269 10.822 ( -0.000 -0.000 4.606) 4.606 11.040 ( 0.000 -0.000 -1.700) 1.700 11.396 ( 0.000 0.000 7.169) 7.169 11.396 ( 0.000 -0.000 7.169) 7.169 11.403 ( -0.000 0.000 3.319) 3.319 11.403 ( -0.000 -0.000 3.319) 3.319 11.910 ( 0.000 0.000 -1.951) 1.951 11.910 ( 0.000 -0.000 -1.951) 1.951 12.469 ( 0.000 0.000 -12.549) 12.549 12.469 ( 0.000 -0.000 -12.549) 12.549 13.315 ( 0.000 0.000 3.355) 3.355 13.315 ( 0.000 0.000 3.355) 3.355 13.538 ( 0.000 0.000 -2.646) 2.646 13.538 ( 0.000 -0.000 -2.646) 2.646 14.306 ( 0.000 0.000 2.599) 2.599 14.527 ( 0.000 -0.000 -3.026) 3.026 15.198 ( 0.000 -0.000 6.475) 6.475 15.198 ( 0.000 0.000 6.475) 6.475 15.569 ( 0.000 0.000 -3.512) 3.512 15.569 ( 0.000 0.000 -3.512) 3.512 16.070 ( 0.000 0.000 0.720) 0.720 16.125 ( 0.000 0.000 -0.682) 0.682 16.162 ( -0.000 0.000 1.965) 1.965 16.299 ( 0.000 -0.000 -1.541) 1.541 16.986 ( -0.000 -0.000 0.506) 0.506 17.027 ( 0.000 0.000 -0.522) 0.522======================= Grid point 110 (16/42) =======================q-point: ( 0.10 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.830 ( 28.084 16.215 8.424) 33.505 1.048 ( 8.990 5.190 45.100) 46.279 1.409 ( 26.142 15.093 -1.755) 30.237 1.420 ( 39.216 22.641 7.137) 45.841 1.757 ( 38.800 22.401 -5.785) 45.175 3.386 ( -2.028 -1.171 -19.535) 19.674 3.700 ( 1.969 1.137 5.019) 5.510 3.829 ( 11.691 6.750 4.489) 14.226 3.897 ( -1.050 -0.606 5.187) 5.327 4.064 ( 0.813 0.469 -4.167) 4.271 4.292 ( 12.025 6.943 -10.398) 17.348 4.424 ( -3.949 -2.280 -9.253) 10.316 5.316 ( -7.767 -4.484 4.832) 10.188 5.324 ( -9.200 -5.312 5.353) 11.896 5.394 ( -5.220 -3.014 -3.849) 7.152 5.525 ( -4.443 -2.565 -1.635) 5.384 5.561 ( -0.670 -0.387 -0.462) 0.901 5.694 ( -12.911 -7.454 1.362) 14.970 5.736 ( 1.779 1.027 -5.864) 6.214 5.824 ( 5.369 3.100 -6.147) 8.730 5.992 ( -0.726 -0.419 2.447) 2.587 5.992 ( -5.232 -3.021 1.069) 6.135 6.100 ( 6.431 3.713 6.422) 9.818 6.314 ( 9.835 5.678 -1.556) 11.462 7.135 ( -3.647 -2.106 1.461) 4.457 7.204 ( -19.703 -11.376 1.625) 22.810 7.237 ( -9.995 -5.771 0.593) 11.556 7.292 ( -15.551 -8.978 2.096) 18.078 7.389 ( -15.326 -8.849 -2.174) 17.830 7.467 ( -12.509 -7.222 4.265) 15.060 7.529 ( -7.752 -4.476 4.995) 10.251 7.750 ( -19.733 -11.393 14.932) 27.243 8.040 ( 7.688 4.439 1.373) 8.983 8.074 ( 11.561 6.675 0.997) 13.386 8.123 ( 4.932 2.847 0.203) 5.698 8.178 ( 11.366 6.562 -1.920) 13.264 8.778 ( 0.395 0.228 5.121) 5.141 8.803 ( 1.912 1.104 4.902) 5.376 9.165 ( 1.209 0.698 -5.325) 5.505 9.193 ( 3.177 1.834 -5.432) 6.555 9.508 ( -8.524 -4.921 4.073) 10.652 9.691 ( -6.133 -3.541 -1.742) 7.292 9.986 ( 4.423 2.553 4.062) 6.525 10.182 ( 12.729 7.349 6.177) 15.943 10.219 ( 4.749 2.742 -1.466) 5.676 10.691 ( -3.251 -1.877 -4.304) 5.711 10.941 ( -4.014 -2.317 3.433) 5.768 11.352 ( 1.149 0.663 6.946) 7.072 11.376 ( 1.314 0.759 3.911) 4.195 11.570 ( 10.874 6.278 -14.110) 18.887 11.686 ( 18.417 10.633 -8.190) 22.788 11.708 ( 18.576 10.725 1.708) 21.517 11.936 ( 4.332 2.501 -4.739) 6.890 12.025 ( 9.273 5.354 1.055) 10.760 12.567 ( 7.968 4.600 -12.733) 15.709 12.913 ( 21.212 12.247 -27.403) 36.754 13.165 ( -11.098 -6.407 3.116) 13.188 13.366 ( 3.831 2.212 3.167) 5.440 13.381 ( -11.433 -6.601 -2.569) 13.450 13.601 ( 1.710 0.987 -3.895) 4.367 14.361 ( 3.530 2.038 2.671) 4.873 14.585 ( 3.816 2.203 -3.076) 5.374 15.153 ( -3.468 -2.002 6.840) 7.926 15.186 ( -0.156 -0.090 5.583) 5.586 15.535 ( -2.616 -1.510 -3.496) 4.620 15.561 ( -0.709 -0.409 -3.697) 3.786 16.070 ( -1.259 -0.727 2.297) 2.719 16.130 ( 0.399 0.230 -0.320) 0.561 16.201 ( 3.005 1.735 1.947) 3.979 16.337 ( 2.960 1.709 -1.531) 3.745 16.901 ( -9.925 -5.730 -0.434) 11.469 17.037 ( 1.226 0.708 -11.308) 11.396======================= Grid point 111 (17/42) =======================q-point: ( 0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.289 ( 13.685 7.901 39.767) 42.792 1.532 ( 29.361 16.951 4.621) 34.216 1.920 ( 23.271 13.436 -5.340) 27.397 2.627 ( 48.794 28.171 3.022) 56.424 2.754 ( 40.385 23.316 -5.717) 46.982 3.362 ( 1.287 0.743 -15.724) 15.794 3.770 ( 3.832 2.212 4.333) 6.193 3.862 ( -1.858 -1.073 3.887) 4.440 4.087 ( 1.776 1.025 -2.951) 3.593 4.190 ( 16.250 9.382 3.687) 19.123 4.274 ( -8.361 -4.827 -6.936) 11.888 4.589 ( 12.374 7.144 -6.716) 15.788 4.983 ( -14.159 -8.175 5.229) 17.165 5.202 ( -13.070 -7.546 -1.531) 15.169 5.253 ( -2.321 -1.340 2.364) 3.574 5.291 ( -9.612 -5.550 -2.601) 11.400 5.534 ( -2.668 -1.541 5.060) 5.925 5.537 ( -1.441 -0.832 -1.057) 1.971 5.755 ( -0.209 -0.120 -6.202) 6.207 5.818 ( -7.918 -4.572 3.391) 9.752 5.949 ( 5.011 2.893 -9.170) 10.843 5.981 ( 0.124 0.072 -1.364) 1.371 6.254 ( 5.138 2.966 6.719) 8.963 6.478 ( 1.866 1.077 -2.155) 3.048 6.641 ( -22.590 -13.043 4.479) 26.467 6.795 ( -19.482 -11.248 -1.213) 22.529 6.882 ( -17.828 -10.293 2.239) 20.707 6.968 ( -12.475 -7.202 -0.336) 14.408 7.149 ( -12.808 -7.395 4.133) 15.356 7.231 ( -1.985 -1.146 -2.180) 3.163 7.417 ( -2.347 -1.355 2.184) 3.481 7.475 ( -6.877 -3.970 5.157) 9.468 8.155 ( -2.510 -1.449 0.639) 2.968 8.155 ( 1.779 1.027 0.520) 2.119 8.347 ( 10.163 5.867 0.701) 11.756 8.429 ( 8.950 5.167 -1.938) 10.515 8.811 ( 2.430 1.403 5.319) 6.014 8.872 ( 3.769 2.176 4.761) 6.450 9.213 ( 2.855 1.648 -5.467) 6.384 9.286 ( -9.414 -5.435 3.278) 11.354 9.297 ( 5.340 3.083 -6.145) 8.705 9.504 ( -8.848 -5.108 -2.591) 10.540 10.123 ( 6.393 3.691 3.674) 8.246 10.324 ( 0.973 0.562 0.899) 1.439 10.357 ( 3.882 2.241 0.044) 4.483 10.565 ( -6.793 -3.922 -3.075) 8.425 10.941 ( 3.332 1.924 9.206) 9.977 11.437 ( 5.568 3.215 7.115) 9.590 11.442 ( 3.830 2.211 4.365) 6.214 11.696 ( 3.052 1.762 -9.356) 9.998 12.051 ( 9.995 5.771 4.689) 12.458 12.072 ( 9.390 5.421 -7.369) 13.110 12.133 ( 13.147 7.590 -6.995) 16.715 12.379 ( 19.948 11.517 9.627) 24.965 12.826 ( 12.344 7.127 -11.771) 18.486 12.830 ( -14.374 -8.299 2.829) 16.837 13.045 ( -13.773 -7.952 -4.304) 16.476 13.282 ( 10.165 5.869 -15.499) 19.442 13.517 ( 8.252 4.764 2.280) 9.798 13.564 ( -2.848 -1.644 2.909) 4.391 14.428 ( 1.334 0.770 2.802) 3.198 14.663 ( 2.001 1.155 -3.458) 4.159 15.048 ( -4.758 -2.747 8.139) 9.820 15.194 ( 0.639 0.369 4.408) 4.469 15.461 ( -3.108 -1.794 -3.420) 4.957 15.532 ( -1.847 -1.066 -3.829) 4.383 16.006 ( -3.707 -2.140 3.470) 5.510 16.146 ( 0.860 0.497 -0.214) 1.016 16.290 ( 4.012 2.316 1.968) 5.034 16.429 ( 4.411 2.546 -1.583) 5.333 16.595 ( -14.171 -8.182 1.272) 16.413 17.022 ( -2.121 -1.224 -12.454) 12.692======================= Grid point 112 (18/42) =======================q-point: ( 0.30 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.708 ( 20.384 11.768 27.200) 35.969 2.217 ( 26.961 15.566 2.815) 31.259 2.478 ( 22.133 12.778 -3.940) 25.859 3.312 ( 5.018 2.897 -18.437) 19.326 3.649 ( 27.608 15.940 2.141) 31.951 3.768 ( 31.116 17.965 0.874) 35.940 3.814 ( -1.036 -0.598 1.591) 1.991 3.924 ( 12.481 7.206 -0.059) 14.412 4.027 ( -8.546 -4.934 -0.788) 9.900 4.120 ( 0.994 0.574 -2.044) 2.345 4.562 ( 11.982 6.918 3.141) 14.187 4.668 ( -10.611 -6.126 3.346) 12.701 4.848 ( -13.329 -7.696 -1.373) 15.452 4.848 ( 6.779 3.914 -4.355) 8.958 5.100 ( -7.034 -4.061 -0.398) 8.132 5.193 ( -2.993 -1.728 -0.766) 3.539 5.485 ( -1.917 -1.107 6.923) 7.268 5.495 ( -0.680 -0.393 -0.721) 1.066 5.672 ( -3.722 -2.149 6.184) 7.531 5.747 ( -0.416 -0.240 -7.145) 7.161 5.993 ( 0.520 0.300 -2.619) 2.687 6.019 ( -1.732 -1.000 -7.124) 7.400 6.093 ( -17.780 -10.265 4.521) 21.022 6.266 ( -4.850 -2.800 -3.072) 6.388 6.423 ( -12.155 -7.018 -0.401) 14.041 6.428 ( -9.465 -5.465 -0.403) 10.937 6.510 ( -7.366 -4.253 5.417) 10.083 6.728 ( -6.870 -3.966 -2.159) 8.221 6.885 ( -8.412 -4.857 3.395) 10.290 7.147 ( -5.140 -2.968 -5.401) 8.025 7.368 ( -2.358 -1.361 5.445) 6.088 7.392 ( 0.089 0.051 2.943) 2.945 8.005 ( -9.349 -5.398 2.468) 11.074 8.130 ( -3.528 -2.037 -0.802) 4.152 8.549 ( 6.429 3.712 -0.073) 7.424 8.599 ( 5.283 3.050 -2.050) 6.435 8.895 ( 4.411 2.547 5.510) 7.503 8.971 ( 2.762 1.595 4.391) 5.427 9.089 ( -5.033 -2.906 3.171) 6.620 9.288 ( -8.654 -4.997 -2.920) 10.411 9.304 ( 4.675 2.699 -5.324) 7.582 9.443 ( 6.430 3.713 -6.543) 9.896 10.207 ( -7.287 -4.207 1.761) 8.597 10.273 ( 5.543 3.200 3.174) 7.145 10.380 ( -7.976 -4.605 -2.265) 9.484 10.506 ( 6.592 3.806 -2.503) 8.013 11.039 ( 4.329 2.499 10.686) 11.797 11.532 ( 3.110 1.796 4.568) 5.810 11.602 ( 7.560 4.365 4.619) 9.877 11.794 ( 5.296 3.058 -4.797) 7.773 12.126 ( 0.865 0.500 -5.955) 6.038 12.238 ( -4.921 -2.841 4.608) 7.317 12.267 ( -4.504 -2.601 -4.192) 6.680 12.618 ( -0.266 -0.154 5.752) 5.760 12.808 ( 4.630 2.673 -0.562) 5.375 12.825 ( 10.114 5.839 3.413) 12.167 13.174 ( 13.697 7.908 -14.875) 21.712 13.376 ( 1.329 0.767 0.969) 1.815 13.628 ( 7.122 4.112 -7.620) 11.212 13.755 ( 10.970 6.334 -2.146) 12.848 14.404 ( -3.585 -2.070 3.101) 5.172 14.662 ( -2.286 -1.320 -4.610) 5.313 14.948 ( -3.056 -1.765 10.646) 11.215 15.210 ( 0.551 0.318 4.451) 4.496 15.406 ( -1.112 -0.642 -3.024) 3.285 15.461 ( -4.420 -2.552 -2.364) 5.624 15.904 ( -4.614 -2.664 2.619) 5.937 16.126 ( -5.123 -2.958 -4.200) 7.255 16.315 ( -4.604 -2.658 6.732) 8.578 16.383 ( 2.712 1.566 3.040) 4.364 16.538 ( 4.525 2.612 -1.957) 5.579 16.949 ( -3.669 -2.118 -10.096) 10.948======================= Grid point 113 (19/42) =======================q-point: ( 0.40 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.215 ( 20.052 11.577 17.742) 29.171 2.791 ( 19.441 11.224 1.417) 22.493 2.942 ( 15.433 8.910 -2.417) 17.983 3.404 ( 3.135 1.810 -13.484) 13.962 3.646 ( -15.855 -9.154 2.254) 18.446 3.785 ( 0.058 0.034 -1.852) 1.853 3.848 ( 0.749 0.433 2.986) 3.109 4.076 ( -3.382 -1.953 -2.972) 4.907 4.442 ( 11.571 6.680 0.388) 13.366 4.511 ( -1.478 -0.853 0.038) 1.707 4.518 ( 0.738 0.426 2.360) 2.509 4.620 ( 23.892 13.794 -2.124) 27.669 4.796 ( 1.427 0.824 -0.094) 1.650 4.843 ( -5.140 -2.968 -1.406) 6.099 5.000 ( -0.743 -0.429 -0.841) 1.201 5.135 ( -1.480 -0.854 -3.755) 4.126 5.400 ( -5.753 -3.321 9.039) 11.217 5.553 ( 0.905 0.523 4.325) 4.450 5.622 ( 2.211 1.277 4.312) 5.011 5.661 ( -4.620 -2.668 2.053) 5.716 5.892 ( -3.626 -2.094 -2.078) 4.674 5.929 ( 2.531 1.461 -1.836) 3.452 5.991 ( -0.657 -0.379 -1.520) 1.699 6.114 ( -8.930 -5.156 0.007) 10.311 6.181 ( -8.150 -4.705 0.624) 9.432 6.205 ( -3.841 -2.218 -6.303) 7.707 6.500 ( 2.063 1.191 -1.014) 2.589 6.561 ( -6.870 -3.966 -5.885) 9.877 6.756 ( -3.121 -1.802 4.357) 5.654 7.014 ( -5.101 -2.945 -4.793) 7.593 7.337 ( -0.582 -0.336 5.324) 5.366 7.409 ( 0.968 0.559 2.547) 2.781 7.751 ( -10.248 -5.917 4.477) 12.652 8.018 ( -4.816 -2.781 -2.590) 6.135 8.660 ( 3.053 1.762 -0.442) 3.553 8.696 ( 2.898 1.673 -2.105) 3.954 8.895 ( -4.526 -2.613 2.789) 5.924 9.009 ( 4.511 2.604 5.516) 7.587 9.104 ( -6.141 -3.546 -2.537) 7.531 9.141 ( 4.248 2.452 3.662) 6.121 9.426 ( 4.898 2.828 -4.969) 7.529 9.583 ( 4.587 2.648 -6.857) 8.664 10.031 ( -6.479 -3.741 1.740) 7.681 10.181 ( -6.984 -4.032 -2.288) 8.383 10.405 ( 4.303 2.484 3.899) 6.316 10.655 ( 5.343 3.085 -2.835) 6.790 11.137 ( 3.411 1.969 11.668) 12.315 11.581 ( 0.967 0.558 4.145) 4.293 11.744 ( 1.684 0.972 0.967) 2.171 11.902 ( 2.512 1.450 -5.470) 6.191 12.033 ( -10.443 -6.029 -1.630) 12.168 12.100 ( 0.430 0.248 4.220) 4.249 12.122 ( -0.256 -0.148 -1.210) 1.246 12.557 ( -7.210 -4.163 11.488) 14.187 12.956 ( 7.252 4.187 -7.737) 11.401 13.053 ( 5.590 3.227 6.488) 9.152 13.460 ( 9.058 5.230 -16.883) 19.860 13.550 ( 12.171 7.027 1.747) 14.162 13.775 ( 4.240 2.448 -10.395) 11.490 14.011 ( 9.506 5.488 -7.619) 13.362 14.255 ( -8.459 -4.884 3.765) 10.468 14.561 ( -5.458 -3.151 -6.238) 8.868 14.913 ( 0.033 0.019 13.090) 13.090 15.218 ( 0.141 0.081 4.189) 4.192 15.318 ( -6.711 -3.874 2.716) 8.211 15.413 ( 1.416 0.818 -1.698) 2.357 15.796 ( -3.974 -2.294 1.184) 4.739 15.965 ( -5.126 -2.959 -3.096) 6.679 16.320 ( 2.040 1.178 5.264) 5.767 16.434 ( 1.187 0.685 3.806) 4.045 16.641 ( 3.935 2.272 -3.095) 5.498 16.855 ( -3.914 -2.260 -6.982) 8.317======================= Grid point 114 (20/42) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.518 ( 0.000 0.000 13.123) 13.123 3.054 ( 0.000 0.000 0.572) 0.572 3.170 ( 0.000 0.000 -1.599) 1.599 3.364 ( 0.000 0.000 5.878) 5.878 3.445 ( 0.000 0.000 -10.075) 10.075 3.805 ( 0.000 0.000 -5.412) 5.412 3.847 ( 0.000 0.000 2.056) 2.056 3.995 ( 0.000 0.000 -2.258) 2.258 4.357 ( 0.000 0.000 1.695) 1.695 4.532 ( 0.000 0.000 -2.626) 2.626 4.689 ( 0.000 0.000 0.634) 0.634 4.759 ( -0.000 -0.000 -1.081) 1.081 4.834 ( -0.000 -0.000 2.328) 2.328 4.959 ( 0.000 0.000 -3.991) 3.991 4.982 ( -0.000 -0.000 -1.583) 1.583 5.097 ( 0.000 0.000 -5.976) 5.976 5.307 ( 0.000 0.000 11.884) 11.884 5.514 ( 0.000 0.000 3.319) 3.319 5.617 ( 0.000 0.000 5.153) 5.153 5.713 ( 0.000 0.000 7.803) 7.803 5.894 ( 0.000 0.000 -2.623) 2.623 5.934 ( 0.000 0.000 -4.789) 4.789 6.000 ( 0.000 0.000 0.374) 0.374 6.038 ( -0.000 -0.000 0.146) 0.146 6.079 ( 0.000 0.000 4.110) 4.110 6.115 ( 0.000 0.000 -3.832) 3.832 6.458 ( 0.000 0.000 -9.767) 9.767 6.537 ( 0.000 0.000 -7.598) 7.598 6.717 ( 0.000 0.000 4.870) 4.870 6.943 ( 0.000 0.000 -3.005) 3.005 7.332 ( 0.000 0.000 4.983) 4.983 7.423 ( 0.000 0.000 2.193) 2.193 7.606 ( 0.000 0.000 5.788) 5.788 7.950 ( 0.000 0.000 -3.553) 3.553 8.700 ( 0.000 0.000 -0.542) 0.542 8.735 ( 0.000 0.000 -2.230) 2.230 8.834 ( 0.000 0.000 2.600) 2.600 9.021 ( 0.000 0.000 -2.175) 2.175 9.074 ( 0.000 0.000 5.481) 5.481 9.198 ( 0.000 0.000 3.240) 3.240 9.497 ( 0.000 0.000 -4.940) 4.940 9.641 ( 0.000 0.000 -6.935) 6.935 9.943 ( 0.000 0.000 1.764) 1.764 10.084 ( 0.000 0.000 -1.896) 1.896 10.464 ( 0.000 0.000 4.073) 4.073 10.729 ( 0.000 0.000 -3.020) 3.020 11.182 ( 0.000 0.000 12.316) 12.316 11.589 ( 0.000 0.000 3.722) 3.722 11.711 ( 0.000 0.000 1.020) 1.020 11.890 ( 0.000 0.000 -1.152) 1.152 11.991 ( 0.000 0.000 -5.092) 5.092 12.034 ( -0.000 -0.000 -10.354) 10.354 12.265 ( 0.000 0.000 12.124) 12.124 12.370 ( 0.000 0.000 14.145) 14.145 13.055 ( 0.000 0.000 -8.296) 8.296 13.116 ( 0.000 0.000 6.406) 6.406 13.575 ( -0.000 -0.000 -19.374) 19.374 13.800 ( -0.000 -0.000 -12.845) 12.845 13.806 ( 0.000 0.000 2.311) 2.311 14.083 ( 0.000 0.000 4.910) 4.910 14.152 ( 0.000 0.000 -8.445) 8.445 14.466 ( 0.000 0.000 -8.101) 8.101 14.924 ( 0.000 0.000 14.120) 14.120 15.215 ( 0.000 0.000 6.519) 6.519 15.219 ( 0.000 0.000 3.918) 3.918 15.440 ( 0.000 0.000 -0.698) 0.698 15.740 ( 0.000 0.000 0.277) 0.277 15.906 ( 0.000 0.000 -3.194) 3.194 16.352 ( 0.000 0.000 3.687) 3.687 16.445 ( 0.000 0.000 4.916) 4.916 16.709 ( 0.000 0.000 -5.202) 5.202 16.787 ( -0.000 -0.000 -4.055) 4.055======================= Grid point 121 (21/42) =======================q-point: ( 0.10 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.208 ( 6.581 11.399 43.066) 45.033 1.335 ( 16.796 29.091 5.401) 34.023 1.773 ( 13.124 22.731 -5.900) 26.902 2.309 ( 28.965 50.169 3.823) 58.057 2.487 ( 24.194 41.905 -4.856) 48.631 3.361 ( -0.187 -0.323 -17.457) 17.461 3.741 ( 1.552 2.689 4.683) 5.619 3.874 ( -0.918 -1.590 4.303) 4.678 4.079 ( 0.582 1.008 -3.666) 3.846 4.085 ( 9.514 16.479 4.209) 19.489 4.328 ( -3.965 -6.868 -7.765) 11.099 4.507 ( 7.124 12.339 -7.674) 16.182 5.074 ( -8.311 -14.395 5.840) 17.618 5.264 ( -1.730 -2.996 2.710) 4.395 5.293 ( -3.584 -6.208 -1.571) 7.338 5.345 ( -8.510 -14.740 -3.392) 17.355 5.543 ( -0.757 -1.312 -0.434) 1.576 5.556 ( -2.081 -3.604 4.437) 6.083 5.756 ( 0.107 0.185 -5.965) 5.969 5.867 ( -4.510 -7.812 2.067) 9.254 5.900 ( 2.231 3.865 -8.471) 9.575 6.010 ( 0.824 1.427 -0.630) 1.765 6.201 ( 3.016 5.223 7.374) 9.526 6.462 ( 3.668 6.354 -2.058) 7.620 6.864 ( -12.330 -21.356 4.184) 25.012 6.891 ( -12.330 -21.355 2.079) 24.747 6.937 ( -9.013 -15.612 0.548) 18.035 7.055 ( -11.008 -19.067 -2.025) 22.109 7.207 ( -0.986 -1.707 0.115) 1.975 7.254 ( -6.362 -11.020 3.316) 13.150 7.436 ( -1.989 -3.445 2.405) 4.649 7.542 ( -4.447 -7.703 6.120) 10.796 8.201 ( 4.342 7.521 0.485) 8.698 8.218 ( 4.009 6.944 1.199) 8.108 8.266 ( 3.047 5.277 -1.361) 6.243 8.278 ( 3.013 5.219 -0.540) 6.051 8.766 ( 0.010 0.018 4.980) 4.980 8.875 ( 2.537 4.394 4.948) 7.087 9.150 ( 0.339 0.588 -5.286) 5.330 9.295 ( 2.889 5.005 -5.797) 8.185 9.358 ( -5.028 -8.708 3.440) 10.627 9.589 ( -3.597 -6.230 -3.034) 7.808 10.063 ( 2.972 5.148 3.797) 7.054 10.280 ( 2.469 4.276 -2.072) 5.355 10.348 ( 1.793 3.106 4.225) 5.541 10.612 ( -3.162 -5.477 -3.136) 7.059 10.941 ( 2.113 3.660 8.278) 9.294 11.261 ( -0.572 -0.990 6.372) 6.474 11.631 ( 2.360 4.088 -0.199) 4.725 11.710 ( 7.340 12.714 -2.094) 14.829 11.804 ( 6.127 10.613 -7.855) 14.556 11.892 ( 0.055 0.096 3.322) 3.323 12.177 ( 12.795 22.161 -3.747) 25.862 12.326 ( 10.449 18.099 4.261) 21.329 12.700 ( 4.934 8.546 -13.311) 16.570 12.935 ( -8.116 -14.057 2.944) 16.497 13.139 ( -8.509 -14.738 -3.144) 17.306 13.213 ( 7.278 12.606 -17.313) 22.619 13.460 ( 3.447 5.970 2.879) 7.470 13.597 ( -0.389 -0.673 0.713) 1.055 14.415 ( 1.293 2.240 2.768) 3.788 14.647 ( 1.618 2.802 -3.293) 4.617 15.077 ( -2.822 -4.888 7.624) 9.486 15.192 ( 0.360 0.624 4.581) 4.637 15.481 ( -1.976 -3.423 -3.599) 5.345 15.543 ( -0.752 -1.303 -3.776) 4.064 16.029 ( -1.873 -3.244 3.429) 5.078 16.141 ( 0.466 0.806 -0.081) 0.935 16.264 ( 2.304 3.991 1.959) 5.007 16.401 ( 2.434 4.216 -1.550) 5.109 16.677 ( -8.306 -14.387 0.680) 16.626 17.040 ( -0.634 -1.097 -12.807) 12.869======================= Grid point 122 (22/42) =======================q-point: ( 0.20 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( 14.055 16.396 31.480) 38.175 1.972 ( 21.780 24.119 3.598) 32.696 2.293 ( 17.581 21.262 -4.714) 27.989 3.227 ( 13.271 13.924 -14.975) 24.377 3.358 ( 30.303 36.467 -0.304) 47.415 3.507 ( 17.982 20.460 -2.244) 27.332 3.804 ( 2.624 -0.047 3.890) 4.693 3.843 ( 0.186 0.247 2.462) 2.481 4.099 ( -0.020 -0.952 -3.219) 3.357 4.139 ( -7.494 -7.050 -3.980) 11.032 4.457 ( 11.644 14.948 3.410) 19.252 4.754 ( 1.358 1.710 -0.907) 2.364 4.770 ( -3.695 -6.045 0.429) 7.098 4.995 ( -12.547 -12.066 -2.189) 17.544 5.149 ( -4.557 -6.823 -0.400) 8.214 5.200 ( -1.928 -3.963 1.133) 4.550 5.497 ( -1.672 -2.327 5.292) 6.018 5.508 ( -1.243 -1.531 -1.028) 2.224 5.711 ( -3.672 -3.941 4.837) 7.239 5.752 ( -0.313 -0.075 -6.215) 6.224 5.961 ( 1.240 -1.248 -8.902) 9.074 6.050 ( -0.308 3.695 -2.514) 4.480 6.242 ( -3.473 -7.461 4.336) 9.302 6.331 ( -15.296 -10.428 1.200) 18.551 6.482 ( -6.893 -16.455 0.906) 17.863 6.552 ( -10.303 -5.429 0.281) 11.649 6.588 ( -7.141 -7.813 2.598) 10.899 6.745 ( -3.080 -9.929 -1.241) 10.470 6.997 ( -8.732 -7.377 2.154) 11.633 7.176 ( -2.130 -3.715 -4.096) 5.925 7.382 ( -1.504 -1.319 4.340) 4.779 7.424 ( -2.855 -1.659 3.829) 5.056 8.198 ( -11.496 4.254 0.778) 12.282 8.233 ( -5.799 5.405 0.030) 7.927 8.415 ( 10.034 0.192 0.084) 10.036 8.452 ( 10.167 -3.267 -1.068) 10.732 8.799 ( 3.956 -0.399 5.055) 6.431 8.972 ( 2.719 5.127 4.765) 7.509 9.166 ( -6.819 -5.730 3.356) 9.518 9.200 ( 4.123 0.129 -5.466) 6.848 9.372 ( 0.349 -0.804 -3.898) 3.995 9.464 ( -4.384 2.769 -6.062) 7.977 10.185 ( 4.918 2.579 3.408) 6.516 10.300 ( -4.780 -2.688 1.933) 5.814 10.391 ( 5.447 0.878 -2.022) 5.877 10.475 ( -5.333 -4.444 -2.594) 7.411 11.046 ( 1.351 7.451 10.456) 12.910 11.309 ( 8.009 -4.557 6.243) 11.131 11.661 ( -0.628 2.746 -3.208) 4.269 11.826 ( -1.816 8.798 1.030) 9.042 11.970 ( 7.218 -3.082 -5.559) 9.618 12.153 ( 12.673 7.022 5.816) 15.612 12.484 ( -1.650 16.483 -6.706) 17.871 12.642 ( -7.805 -7.560 3.012) 11.275 12.771 ( 11.712 20.504 8.170) 24.987 12.823 ( -3.420 -7.869 -1.960) 8.801 12.962 ( 10.662 3.001 -16.080) 19.525 13.318 ( 0.800 -5.246 1.707) 5.574 13.618 ( 5.579 11.379 -7.364) 14.657 13.703 ( 6.038 10.525 -1.437) 12.219 14.423 ( -1.297 -1.851 3.010) 3.764 14.673 ( -0.483 -0.759 -4.123) 4.220 14.972 ( -2.913 -4.111 9.402) 10.667 15.207 ( 0.432 0.764 4.548) 4.632 15.410 ( -1.724 -2.936 -3.520) 4.897 15.499 ( -2.459 -2.316 -3.234) 4.676 15.940 ( -3.519 -4.371 3.197) 6.458 16.149 ( -0.925 -1.354 -2.482) 2.975 16.349 ( 1.729 2.414 2.183) 3.686 16.378 ( -6.527 -9.264 5.488) 12.591 16.501 ( 3.452 4.105 -1.728) 5.635 16.989 ( -2.855 -2.248 -11.198) 11.773======================= Grid point 123 (23/42) =======================q-point: ( 0.30 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.023 ( 17.851 18.006 21.032) 32.943 2.588 ( 20.087 19.369 2.235) 27.994 2.805 ( 15.174 17.900 -3.466) 23.721 3.378 ( 3.210 3.926 -15.432) 16.244 3.778 ( -0.114 -1.523 1.270) 1.987 3.808 ( -8.038 -5.189 -0.436) 9.578 3.859 ( -4.752 -1.378 2.547) 5.565 4.082 ( 1.172 0.204 -2.975) 3.204 4.181 ( 22.259 14.640 1.794) 26.702 4.265 ( 24.792 13.166 -0.959) 28.087 4.520 ( -5.037 -7.130 2.072) 8.972 4.633 ( -8.780 -4.040 -0.337) 9.671 4.795 ( 4.730 6.543 -0.110) 8.074 4.866 ( 0.339 -1.974 -2.252) 3.013 5.002 ( -3.803 -5.484 0.252) 6.679 5.125 ( -0.781 -4.065 -1.931) 4.567 5.411 ( -3.939 -7.738 6.362) 10.765 5.533 ( 3.176 4.409 2.227) 5.872 5.656 ( -2.481 0.868 5.273) 5.892 5.730 ( -4.608 -2.155 -3.153) 5.985 5.838 ( -2.902 -12.400 -4.188) 13.406 5.914 ( -5.406 -7.607 2.141) 9.575 6.035 ( -1.923 0.623 3.156) 3.748 6.203 ( -5.405 -3.782 -3.879) 7.652 6.269 ( -2.526 0.212 -5.798) 6.328 6.322 ( -6.559 -1.626 -1.658) 6.958 6.510 ( -2.156 1.777 3.774) 4.696 6.653 ( -4.443 -2.045 -2.553) 5.517 6.815 ( -5.126 -2.250 2.096) 5.977 7.069 ( -4.265 -4.154 -6.466) 8.790 7.346 ( -1.218 -0.630 6.470) 6.614 7.403 ( 0.378 0.824 2.939) 3.076 7.963 ( -15.980 0.360 2.783) 16.224 8.132 ( -8.613 1.532 -1.565) 8.887 8.558 ( 7.657 -3.601 -0.791) 8.498 8.567 ( 7.858 -5.438 -1.036) 9.612 8.879 ( 3.588 -1.156 4.697) 6.023 9.021 ( -3.455 -0.142 3.882) 5.198 9.080 ( 4.141 2.443 4.169) 6.364 9.187 ( -5.773 -2.266 -3.303) 7.026 9.376 ( 4.623 2.158 -5.215) 7.295 9.524 ( 3.384 3.246 -6.984) 8.412 10.133 ( -7.465 -2.429 1.825) 8.060 10.284 ( -5.782 -2.264 -1.795) 6.464 10.322 ( 3.407 -0.940 2.820) 4.521 10.527 ( 7.641 -2.031 -2.287) 8.231 11.138 ( 1.249 6.122 10.691) 12.383 11.383 ( 6.333 -9.325 5.220) 12.422 11.665 ( 3.432 -8.650 -5.454) 10.787 11.908 ( 4.258 3.510 11.826) 13.050 12.031 ( 0.523 2.811 -9.901) 10.305 12.205 ( -9.565 5.143 4.008) 11.576 12.429 ( -12.884 9.233 -3.147) 16.160 12.556 ( -0.953 -4.215 7.278) 8.464 12.876 ( 7.320 5.635 -6.943) 11.556 13.097 ( 3.108 14.765 7.297) 16.760 13.218 ( 13.523 -1.166 -15.237) 20.406 13.365 ( 11.873 -0.879 5.059) 12.936 13.847 ( 3.445 14.596 -11.893) 19.141 13.943 ( 6.829 10.577 -7.342) 14.574 14.318 ( -5.505 -6.494 3.652) 9.263 14.607 ( -3.762 -4.031 -5.597) 7.857 14.908 ( -0.476 -1.794 11.671) 11.818 15.218 ( 0.077 0.309 4.705) 4.715 15.355 ( -2.791 -4.575 -1.117) 5.474 15.410 ( -1.880 -2.093 -1.274) 3.088 15.810 ( -3.895 -7.081 2.792) 8.550 16.030 ( -4.965 -3.906 -3.366) 7.158 16.303 ( 1.315 1.372 6.569) 6.838 16.419 ( 1.681 1.557 2.981) 3.759 16.604 ( 3.443 3.408 -2.365) 5.391 16.900 ( -3.807 -2.837 -8.455) 9.697======================= Grid point 124 (24/42) =======================q-point: ( 0.40 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.484 ( 10.876 13.514 13.983) 22.281 3.034 ( 8.621 11.443 1.080) 14.367 3.166 ( 6.440 12.036 -1.870) 13.778 3.457 ( -0.876 2.078 -8.878) 9.160 3.467 ( -11.766 -6.195 2.737) 13.576 3.786 ( 2.304 0.110 -3.034) 3.811 3.843 ( -0.750 -0.910 1.443) 1.864 4.002 ( -3.274 -4.467 -2.455) 6.058 4.337 ( -2.627 -7.497 1.288) 8.048 4.490 ( 2.435 -2.215 -2.294) 4.012 4.625 ( 10.555 -1.012 -0.565) 10.618 4.646 ( 8.067 -4.610 -0.398) 9.300 4.780 ( -0.571 -1.738 2.031) 2.733 4.957 ( 4.800 6.550 -3.433) 8.816 4.963 ( -0.440 -2.137 -2.038) 2.986 5.083 ( -0.131 -3.892 -3.284) 5.094 5.203 ( -1.650 -13.964 7.432) 15.904 5.528 ( -0.632 -10.723 -1.379) 10.830 5.611 ( 0.591 0.808 8.303) 8.363 5.641 ( -2.396 -0.117 5.370) 5.881 5.851 ( 2.393 -4.049 3.204) 5.691 5.877 ( 6.175 7.147 -0.486) 9.457 6.089 ( 2.366 6.472 3.007) 7.519 6.117 ( -7.092 4.533 -3.103) 8.970 6.178 ( -7.184 4.713 -0.872) 8.636 6.273 ( -6.569 7.189 -5.775) 11.322 6.525 ( 1.341 0.738 -4.903) 5.136 6.544 ( -5.650 1.985 -5.935) 8.431 6.747 ( -2.205 0.680 3.097) 3.862 6.971 ( -2.887 -0.627 -5.460) 6.209 7.330 ( -0.252 -0.042 6.584) 6.589 7.435 ( 0.613 2.779 2.257) 3.632 7.696 ( -10.789 -0.091 4.910) 11.854 8.003 ( -5.420 1.157 -3.223) 6.411 8.625 ( 6.132 -7.135 -1.207) 9.485 8.627 ( 5.337 -6.099 -0.987) 8.165 8.852 ( -2.127 -0.627 2.898) 3.649 9.055 ( 2.556 0.887 5.171) 5.836 9.068 ( -4.490 0.663 -2.500) 5.181 9.163 ( 2.928 -0.232 3.755) 4.767 9.484 ( 3.011 1.883 -5.572) 6.608 9.604 ( 3.119 -0.562 -6.956) 7.643 9.998 ( -5.095 0.691 1.813) 5.452 10.142 ( -5.492 0.465 -1.979) 5.857 10.393 ( 4.655 -3.729 3.645) 6.990 10.621 ( 6.785 -6.240 -2.516) 9.555 11.217 ( 0.558 5.008 11.501) 12.556 11.343 ( 4.180 -13.335 3.924) 14.515 11.600 ( 5.553 -15.840 -4.144) 17.290 12.040 ( -0.594 9.434 5.994) 11.193 12.064 ( -4.235 8.972 -5.159) 11.183 12.155 ( 1.342 5.654 3.784) 6.935 12.317 ( -8.434 5.488 2.219) 10.304 12.413 ( -8.657 -0.829 7.767) 11.660 13.041 ( 3.537 3.621 -8.672) 10.041 13.225 ( -3.006 10.837 6.829) 13.157 13.389 ( 8.768 -6.367 -17.100) 20.244 13.652 ( 14.899 1.636 3.865) 15.478 14.001 ( -4.912 13.961 -13.688) 20.159 14.107 ( -4.867 -6.404 2.821) 8.524 14.145 ( 3.013 4.694 -9.277) 10.825 14.482 ( -3.731 -4.183 -8.057) 9.815 14.912 ( 1.369 -0.080 13.307) 13.378 15.193 ( -1.740 -6.341 6.323) 9.122 15.232 ( -1.611 -0.021 4.562) 4.838 15.424 ( 1.905 -0.015 -1.252) 2.280 15.689 ( -0.110 -7.274 2.138) 7.583 15.955 ( -2.751 1.802 -3.506) 4.807 16.350 ( 1.044 1.569 4.306) 4.701 16.444 ( 0.285 0.213 4.300) 4.315 16.693 ( 2.845 2.520 -3.991) 5.511 16.804 ( -3.097 -2.659 -5.329) 6.713======================= Grid point 132 (25/42) =======================q-point: ( 0.20 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 12.927 22.390 22.395) 34.204 2.501 ( 14.836 25.697 2.735) 29.798 2.763 ( 13.098 22.687 -4.143) 26.522 3.368 ( 3.030 5.248 -15.951) 17.063 3.770 ( -1.120 -1.940 2.520) 3.372 3.849 ( -1.107 -1.918 0.253) 2.229 3.927 ( -5.558 -9.627 0.773) 11.143 4.030 ( 13.996 24.242 0.564) 27.998 4.062 ( 13.922 24.114 -0.434) 27.848 4.100 ( -0.808 -1.400 -2.394) 2.888 4.532 ( -5.439 -9.421 2.803) 11.234 4.726 ( -7.260 -12.574 -2.130) 14.675 4.752 ( 6.705 11.614 1.239) 13.468 4.843 ( 0.853 1.477 -2.718) 3.209 5.011 ( -4.249 -7.359 0.439) 8.509 5.105 ( -2.376 -4.116 -0.246) 4.759 5.405 ( -4.566 -7.909 5.071) 10.446 5.529 ( 2.595 4.494 1.548) 5.415 5.696 ( 1.648 2.854 6.505) 7.292 5.763 ( 0.264 0.457 -6.455) 6.477 5.781 ( -9.233 -15.992 -4.878) 19.099 5.935 ( -9.321 -16.144 3.044) 18.888 6.062 ( -1.540 -2.667 6.868) 7.527 6.229 ( 0.087 0.151 -6.851) 6.853 6.274 ( 0.434 0.752 -5.133) 5.206 6.385 ( -3.030 -5.248 -0.706) 6.101 6.555 ( -0.285 -0.494 3.947) 3.988 6.672 ( -0.454 -0.787 -0.443) 1.011 6.856 ( -3.140 -5.439 0.168) 6.283 7.079 ( -2.976 -5.155 -7.084) 9.252 7.359 ( -0.583 -1.010 6.883) 6.981 7.406 ( 0.198 0.343 3.176) 3.201 8.274 ( -2.758 -4.778 0.381) 5.530 8.299 ( -1.871 -3.241 0.849) 3.837 8.310 ( -1.195 -2.070 -0.440) 2.430 8.392 ( 0.417 0.722 -1.062) 1.350 8.829 ( 1.945 3.370 5.086) 6.403 9.036 ( -1.498 -2.595 3.651) 4.723 9.078 ( 0.659 1.141 4.375) 4.569 9.252 ( 2.359 4.087 -5.968) 7.608 9.307 ( -2.125 -3.681 -3.355) 5.415 9.529 ( 1.414 2.449 -7.392) 7.914 10.215 ( -2.728 -4.724 1.883) 5.771 10.236 ( 0.997 1.727 3.088) 3.676 10.370 ( -2.922 -5.061 -2.269) 6.269 10.414 ( 0.451 0.781 -1.758) 1.976 11.208 ( 3.777 6.541 11.359) 13.641 11.227 ( -1.882 -3.259 4.611) 5.951 11.578 ( -4.710 -8.159 -5.531) 10.925 11.868 ( -0.398 -0.689 13.417) 13.440 12.046 ( 3.880 6.720 -11.410) 13.799 12.356 ( 3.760 6.513 6.680) 10.059 12.527 ( -1.000 -1.732 2.120) 2.914 12.675 ( -1.389 -2.406 -1.750) 3.283 12.807 ( 6.325 10.956 -6.368) 14.163 13.062 ( 3.733 6.465 -18.320) 19.783 13.158 ( 8.652 14.985 7.675) 18.929 13.216 ( -0.327 -0.566 9.097) 9.120 13.878 ( 6.802 11.781 -11.360) 17.723 13.960 ( 7.673 13.289 -8.397) 17.492 14.332 ( -4.120 -7.136 3.730) 9.045 14.618 ( -2.560 -4.435 -5.408) 7.448 14.901 ( -1.337 -2.316 10.804) 11.130 15.219 ( 0.064 0.110 5.005) 5.007 15.354 ( -1.154 -2.000 -3.541) 4.227 15.418 ( -3.289 -5.696 -0.468) 6.594 15.806 ( -4.971 -8.610 3.989) 10.712 16.054 ( -2.752 -4.767 -3.389) 6.464 16.299 ( 0.759 1.314 7.241) 7.398 16.411 ( 1.324 2.293 2.499) 3.641 16.590 ( 2.436 4.220 -2.089) 5.302 16.922 ( -2.356 -4.081 -9.088) 10.237======================= Grid point 133 (26/42) =======================q-point: ( 0.30 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.436 ( 13.694 20.917 15.190) 29.254 2.996 ( 12.379 18.711 1.886) 22.515 3.187 ( 8.814 17.225 -3.168) 19.607 3.483 ( 2.488 6.105 -11.917) 13.619 3.609 ( -11.279 -10.825 2.626) 15.852 3.744 ( 0.812 -1.311 0.702) 1.694 3.857 ( -1.333 -0.890 1.210) 2.009 4.024 ( -4.053 -3.996 -2.371) 6.166 4.289 ( 0.991 -5.592 0.691) 5.721 4.392 ( 6.372 1.689 -1.737) 6.817 4.429 ( 5.705 -0.992 0.603) 5.822 4.511 ( -2.572 -8.135 -1.460) 8.656 4.795 ( -4.185 -5.951 1.486) 7.425 4.933 ( 2.273 1.054 -0.756) 2.617 4.939 ( 3.156 3.529 -4.691) 6.665 5.048 ( -0.419 -2.309 -0.804) 2.480 5.131 ( -8.377 -17.494 4.710) 19.960 5.435 ( -6.789 -16.504 -4.014) 18.292 5.625 ( 1.529 3.362 8.743) 9.491 5.698 ( -4.098 -0.976 5.242) 6.725 5.767 ( 1.013 -5.267 4.331) 6.893 5.875 ( 7.296 13.220 1.618) 15.187 6.112 ( 3.691 7.996 3.649) 9.533 6.245 ( -1.987 4.029 -9.035) 10.090 6.330 ( -1.349 5.139 -5.742) 7.823 6.393 ( 1.169 7.047 -3.217) 7.834 6.535 ( -1.469 0.187 2.264) 2.706 6.623 ( -3.151 -2.095 -0.522) 3.820 6.779 ( -1.813 -2.103 -0.615) 2.844 6.998 ( -1.039 -1.714 -8.869) 9.092 7.351 ( -0.483 1.798 8.312) 8.518 7.449 ( 2.164 4.532 2.732) 5.717 7.986 ( -18.861 1.370 2.485) 19.073 8.169 ( -10.329 1.582 -2.151) 10.669 8.349 ( 10.374 -13.794 0.530) 17.267 8.443 ( 6.988 -7.940 -1.559) 10.691 8.892 ( -1.172 2.294 4.189) 4.918 8.988 ( 2.999 -2.238 4.325) 5.718 9.129 ( 1.452 1.593 4.229) 4.747 9.194 ( -6.844 2.469 -3.722) 8.172 9.389 ( 7.629 -0.868 -5.938) 9.707 9.567 ( 0.931 1.042 -7.182) 7.317 10.106 ( -5.442 -0.413 1.984) 5.807 10.252 ( -4.369 -0.857 -1.319) 4.643 10.268 ( 2.020 -3.884 2.212) 4.905 10.434 ( 4.473 -6.140 -1.713) 7.788 11.141 ( 0.299 -7.994 3.332) 8.666 11.320 ( 0.471 5.924 11.640) 13.069 11.403 ( -1.036 -12.488 -3.751) 13.080 11.926 ( 6.658 1.318 13.828) 15.404 12.159 ( 0.861 5.706 -9.237) 10.891 12.336 ( -4.718 -3.050 7.851) 9.655 12.500 ( -7.995 8.613 2.876) 12.099 12.650 ( -5.085 8.567 -1.671) 10.101 13.012 ( 5.411 6.358 -8.958) 12.245 13.196 ( 6.499 0.233 -18.175) 19.304 13.361 ( 5.947 7.777 8.373) 12.882 13.404 ( 9.512 6.985 6.989) 13.716 14.099 ( 5.553 8.267 -14.009) 17.188 14.127 ( -7.047 -10.795 4.524) 13.662 14.204 ( 2.576 13.089 -13.784) 19.182 14.500 ( -3.970 -5.965 -7.963) 10.712 14.881 ( 1.006 -0.650 12.339) 12.397 15.167 ( -3.544 -7.300 5.402) 9.748 15.283 ( -3.811 0.403 4.073) 5.593 15.366 ( 3.237 -1.924 -0.758) 3.841 15.630 ( -3.233 -8.840 4.957) 10.639 16.008 ( -1.066 1.018 -3.764) 4.043 16.348 ( 1.511 2.513 5.322) 6.076 16.441 ( 0.389 0.443 3.277) 3.330 16.671 ( 2.430 2.861 -2.865) 4.722 16.829 ( -3.029 -3.719 -6.544) 8.114======================= Grid point 134 (27/42) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.743 ( -5.910 10.237 11.267) 16.330 3.233 ( -3.861 6.687 1.410) 7.849 3.326 ( 2.233 -3.868 6.377) 7.786 3.420 ( -5.378 9.315 -3.956) 11.460 3.550 ( -2.905 5.031 -7.687) 9.635 3.785 ( 1.032 -1.787 -5.117) 5.518 3.812 ( 0.409 -0.709 2.694) 2.815 3.947 ( -0.488 0.845 -1.525) 1.810 4.202 ( 2.595 -4.495 1.591) 5.429 4.424 ( 1.858 -3.219 -5.047) 6.268 4.458 ( 6.441 -11.156 -0.124) 12.883 4.541 ( 4.171 -7.225 -4.052) 9.275 4.738 ( 1.771 -3.067 6.301) 7.228 4.856 ( 3.978 -6.890 4.683) 9.232 4.982 ( 2.749 -4.762 -1.829) 5.795 4.992 ( 1.591 -2.756 -2.099) 3.812 5.039 ( -0.614 1.063 -3.607) 3.810 5.272 ( 5.509 -9.542 -4.284) 11.821 5.654 ( -0.618 1.071 7.685) 7.783 5.662 ( -1.049 1.817 10.056) 10.272 5.751 ( 1.917 -3.321 8.064) 8.929 6.086 ( -4.090 7.083 -3.296) 8.818 6.217 ( -3.046 5.276 -4.119) 7.354 6.238 ( -3.789 6.562 1.627) 7.750 6.323 ( -4.929 8.537 -1.316) 9.945 6.433 ( -3.757 6.507 -4.232) 8.624 6.526 ( 0.235 -0.406 -5.602) 5.621 6.581 ( -0.043 0.075 -1.416) 1.418 6.743 ( 1.202 -2.082 0.803) 2.535 6.992 ( -0.833 1.443 -8.629) 8.789 7.365 ( -2.281 3.950 9.204) 10.273 7.552 ( -4.194 7.264 0.705) 8.418 7.743 ( -3.508 6.075 5.052) 8.645 8.064 ( -2.781 4.817 -3.412) 6.525 8.373 ( 8.862 -15.349 0.355) 17.727 8.465 ( 5.720 -9.907 -1.655) 11.558 8.874 ( -1.449 2.510 3.284) 4.380 9.029 ( 1.832 -3.173 5.110) 6.288 9.137 ( -3.305 5.725 -3.464) 7.463 9.152 ( 0.230 -0.399 4.061) 4.087 9.465 ( 2.532 -4.386 -6.237) 8.034 9.583 ( 0.395 -0.684 -7.046) 7.090 10.046 ( -1.963 3.400 1.976) 4.395 10.190 ( -2.044 3.540 -1.817) 4.474 10.274 ( 3.814 -6.606 2.927) 8.170 10.443 ( 5.193 -8.994 -1.734) 10.529 11.097 ( 4.706 -8.151 2.679) 9.786 11.322 ( 5.699 -9.872 -3.119) 11.818 11.355 ( -3.537 6.125 12.262) 14.156 12.068 ( 2.127 -3.685 10.198) 11.050 12.154 ( 1.137 -1.970 11.405) 11.629 12.242 ( -1.726 2.989 -6.736) 7.569 12.469 ( -9.500 16.454 2.129) 19.118 12.651 ( -6.599 11.430 -1.426) 13.275 13.100 ( -1.193 2.066 -11.041) 11.296 13.263 ( 2.749 -4.761 -18.619) 19.414 13.440 ( -4.556 7.892 8.233) 12.281 13.628 ( 2.255 -3.905 5.719) 7.283 13.924 ( 3.734 -6.467 6.504) 9.903 14.227 ( -1.193 2.066 -14.161) 14.361 14.298 ( -6.213 10.761 -16.690) 20.808 14.403 ( 1.567 -2.714 -11.339) 11.764 14.907 ( 0.370 -0.641 12.374) 12.396 15.050 ( 3.285 -5.690 11.054) 12.859 15.261 ( -1.452 2.515 4.692) 5.518 15.410 ( 0.906 -1.570 -1.834) 2.579 15.536 ( 3.729 -6.458 6.249) 9.730 16.008 ( -1.485 2.572 -4.287) 5.215 16.381 ( -0.748 1.295 4.090) 4.355 16.442 ( 0.201 -0.349 4.177) 4.196 16.736 ( -0.378 0.655 -4.797) 4.856 16.752 ( 0.783 -1.357 -3.806) 4.116======================= Grid point 144 (28/42) =======================q-point: ( 0.30 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( 10.638 18.426 10.624) 23.781 3.271 ( -5.288 -9.159 5.224) 11.796 3.304 ( 2.980 5.161 2.797) 6.583 3.536 ( 3.325 5.759 -5.113) 8.389 3.617 ( 3.414 5.913 -8.764) 11.109 3.739 ( -0.216 -0.375 -2.084) 2.128 3.824 ( -0.896 -1.552 2.829) 3.349 3.997 ( 2.442 4.230 -1.178) 5.024 4.180 ( -2.402 -4.161 1.533) 5.043 4.268 ( -6.029 -10.442 -0.089) 12.058 4.402 ( -0.717 -1.242 -4.682) 4.896 4.412 ( -0.591 -1.023 -6.248) 6.359 4.694 ( -1.196 -2.072 7.400) 7.777 4.792 ( -6.697 -11.600 6.916) 15.075 4.928 ( -0.784 -1.358 -2.460) 2.917 4.967 ( 0.377 0.653 -3.713) 3.789 5.054 ( 0.955 1.655 -4.026) 4.456 5.168 ( -4.649 -8.053 -4.795) 10.462 5.667 ( 0.462 0.800 9.125) 9.171 5.683 ( -0.468 -0.810 8.004) 8.059 5.713 ( -0.172 -0.298 10.960) 10.966 6.152 ( 6.097 10.559 -3.033) 12.565 6.286 ( -0.452 -0.783 -9.583) 9.625 6.314 ( 5.509 9.542 0.989) 11.062 6.454 ( 3.485 6.036 -6.290) 9.389 6.499 ( -2.061 -3.569 1.205) 4.294 6.544 ( 2.518 4.362 -0.700) 5.085 6.553 ( -1.976 -3.422 1.261) 4.148 6.686 ( -3.291 -5.701 -3.014) 7.240 7.002 ( 0.463 0.802 -7.360) 7.418 7.431 ( 2.520 4.365 8.885) 10.215 7.627 ( 7.011 12.143 0.959) 14.055 7.982 ( -4.465 -7.734 1.643) 9.080 8.049 ( -4.423 -7.661 3.251) 9.424 8.181 ( -0.463 -0.803 -2.762) 2.914 8.284 ( -2.838 -4.916 -2.721) 6.295 8.936 ( 0.006 0.010 3.824) 3.824 8.957 ( 0.384 0.665 4.658) 4.721 9.149 ( 0.258 0.446 4.149) 4.181 9.255 ( 1.393 2.413 -4.381) 5.192 9.356 ( -0.900 -1.559 -5.816) 6.088 9.577 ( 0.079 0.136 -7.179) 7.181 10.108 ( 0.254 0.440 2.170) 2.229 10.175 ( -1.901 -3.292 2.473) 4.535 10.254 ( 0.065 0.112 -1.776) 1.780 10.318 ( -2.074 -3.592 -1.444) 4.392 11.010 ( -2.008 -3.478 2.473) 4.716 11.214 ( -2.776 -4.809 -2.766) 6.204 11.434 ( 1.951 3.380 12.037) 12.654 11.992 ( 2.873 4.975 13.917) 15.056 12.146 ( -4.073 -7.054 11.066) 13.741 12.288 ( 0.861 1.491 -8.647) 8.817 12.681 ( 2.972 5.148 1.208) 6.066 12.780 ( 1.861 3.223 -1.024) 3.860 13.125 ( 2.469 4.277 -13.614) 14.482 13.199 ( -0.366 -0.635 -18.474) 18.489 13.522 ( 3.258 5.643 8.541) 10.743 13.562 ( 5.183 8.977 7.831) 12.991 13.861 ( -7.533 -13.047 6.744) 16.506 14.239 ( 3.090 5.352 -15.927) 17.084 14.372 ( -3.305 -5.724 -12.082) 13.772 14.425 ( 3.717 6.437 -19.217) 20.605 14.888 ( 0.942 1.632 13.632) 13.762 14.994 ( -4.157 -7.200 11.523) 14.209 15.336 ( 1.309 2.268 6.695) 7.189 15.340 ( 0.671 1.162 -2.921) 3.215 15.467 ( -3.787 -6.558 7.831) 10.894 16.038 ( 0.684 1.184 -4.640) 4.838 16.397 ( 1.134 1.964 4.398) 4.948 16.436 ( -0.488 -0.846 3.719) 3.845 16.718 ( 1.000 1.732 -3.481) 4.015 16.760 ( -1.498 -2.594 -4.750) 5.616======================= Grid point 218 (29/42) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.689 ( -0.000 0.000 17.581) 17.581 0.689 ( 0.000 -0.000 17.581) 17.581 0.978 ( -0.000 -0.000 -14.095) 14.095 0.978 ( -0.000 -0.000 -14.095) 14.095 2.033 ( -0.000 -0.000 51.212) 51.212 2.863 ( 0.000 -0.000 -39.612) 39.612 3.800 ( 0.000 0.000 7.910) 7.910 3.800 ( -0.000 0.000 7.910) 7.910 3.943 ( 0.000 -0.000 -7.491) 7.491 3.943 ( 0.000 -0.000 -7.491) 7.491 4.055 ( 0.000 -0.000 10.140) 10.140 4.262 ( 0.000 0.000 -12.257) 12.257 5.381 ( 0.000 -0.000 -1.372) 1.372 5.385 ( 0.000 0.000 -2.263) 2.263 5.574 ( -0.000 0.000 1.241) 1.241 5.574 ( 0.000 -0.000 1.241) 1.241 5.618 ( 0.000 0.000 -3.689) 3.689 5.618 ( 0.000 0.000 -3.689) 3.689 5.731 ( 0.000 0.000 10.162) 10.162 5.898 ( 0.000 -0.000 -7.978) 7.978 6.068 ( 0.000 -0.000 2.311) 2.311 6.068 ( 0.000 0.000 2.311) 2.311 6.080 ( 0.000 -0.000 0.866) 0.866 6.080 ( 0.000 0.000 0.866) 0.866 7.205 ( 0.000 -0.000 3.429) 3.429 7.268 ( -0.000 -0.000 -3.268) 3.268 7.582 ( -0.000 0.000 1.885) 1.885 7.582 ( -0.000 -0.000 1.885) 1.885 7.622 ( 0.000 0.000 -2.485) 2.485 7.622 ( 0.000 0.000 -2.485) 2.485 7.888 ( -0.000 0.000 2.027) 2.027 7.888 ( -0.000 0.000 2.027) 2.027 7.930 ( 0.000 0.000 -2.583) 2.583 7.930 ( 0.000 -0.000 -2.583) 2.583 8.078 ( -0.000 -0.000 21.838) 21.838 8.434 ( 0.000 -0.000 -16.607) 16.607 8.896 ( 0.000 0.000 7.473) 7.473 8.896 ( 0.000 0.000 7.473) 7.473 9.035 ( 0.000 0.000 -7.486) 7.486 9.035 ( -0.000 -0.000 -7.486) 7.486 9.787 ( -0.000 -0.000 1.236) 1.236 9.831 ( 0.000 0.000 -3.783) 3.783 10.023 ( -0.000 0.000 5.337) 5.337 10.023 ( 0.000 0.000 5.337) 5.337 10.111 ( -0.000 -0.000 -4.248) 4.248 10.111 ( -0.000 0.000 -4.248) 4.248 10.914 ( 0.000 0.000 5.071) 5.071 10.993 ( -0.000 -0.000 -3.537) 3.537 11.478 ( 0.000 0.000 4.345) 4.345 11.478 ( 0.000 -0.000 4.345) 4.345 11.511 ( -0.000 0.000 2.661) 2.661 11.511 ( 0.000 -0.000 2.661) 2.661 11.937 ( 0.000 -0.000 7.713) 7.713 11.937 ( -0.000 0.000 7.713) 7.713 12.185 ( 0.000 -0.000 -17.065) 17.065 12.185 ( 0.000 -0.000 -17.065) 17.065 13.391 ( -0.000 0.000 4.734) 4.734 13.391 ( 0.000 0.000 4.734) 4.734 13.474 ( 0.000 0.000 -4.273) 4.273 13.474 ( 0.000 0.000 -4.273) 4.273 14.371 ( -0.000 -0.000 4.378) 4.378 14.455 ( 0.000 0.000 -4.637) 4.637 15.338 ( 0.000 -0.000 8.328) 8.328 15.338 ( 0.000 -0.000 8.328) 8.328 15.477 ( 0.000 -0.000 -6.639) 6.639 15.477 ( 0.000 -0.000 -6.639) 6.639 16.088 ( 0.000 0.000 1.146) 1.146 16.109 ( -0.000 -0.000 -1.122) 1.122 16.208 ( 0.000 -0.000 2.922) 2.922 16.260 ( 0.000 0.000 -2.665) 2.665 16.999 ( 0.000 0.000 0.827) 0.827 17.014 ( 0.000 -0.000 -0.836) 0.836======================= Grid point 219 (30/42) =======================q-point: ( 0.10 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.023 ( 23.049 13.307 12.131) 29.249 1.241 ( 19.321 11.155 -11.399) 25.053 1.448 ( 43.014 24.834 10.150) 50.695 1.620 ( 41.277 23.832 -8.954) 48.497 2.073 ( 5.455 3.150 47.326) 47.743 2.858 ( 0.257 0.149 -37.837) 37.838 3.818 ( 1.515 0.875 7.526) 7.726 3.946 ( 6.536 3.773 2.244) 7.873 3.956 ( 5.579 3.221 -0.293) 6.449 4.039 ( -1.178 -0.680 8.706) 8.812 4.113 ( 11.973 6.913 -9.478) 16.763 4.229 ( -2.697 -1.557 -11.378) 11.796 5.345 ( -3.145 -1.816 -1.089) 3.791 5.345 ( -2.674 -1.544 -0.261) 3.099 5.433 ( -12.664 -7.311 5.110) 15.490 5.494 ( -8.496 -4.905 -2.003) 10.013 5.569 ( -0.394 -0.227 1.880) 1.934 5.632 ( 0.697 0.402 -4.912) 4.978 5.712 ( -6.479 -3.740 0.563) 7.502 5.738 ( 1.160 0.670 -3.015) 3.299 6.021 ( -4.610 -2.661 1.387) 5.501 6.026 ( -3.175 -1.833 0.975) 3.793 6.202 ( 7.845 4.529 4.785) 10.245 6.273 ( 9.054 5.227 -3.060) 10.893 7.167 ( -6.399 -3.695 1.855) 7.618 7.197 ( -9.771 -5.641 -1.387) 11.368 7.277 ( -16.827 -9.715 3.021) 19.663 7.329 ( -17.234 -9.950 -1.318) 19.944 7.357 ( -11.337 -6.545 2.023) 13.246 7.428 ( -9.841 -5.681 -4.126) 12.089 7.739 ( -15.933 -9.199 11.479) 21.685 7.864 ( -19.467 -11.239 -1.592) 22.534 8.074 ( 6.270 3.620 2.082) 7.533 8.087 ( 9.300 5.370 0.479) 10.750 8.138 ( 4.493 2.594 0.169) 5.191 8.143 ( 11.130 6.426 -1.445) 12.932 8.898 ( 0.620 0.358 7.703) 7.736 8.921 ( 1.980 1.143 7.710) 8.042 9.042 ( 0.964 0.557 -7.804) 7.883 9.067 ( 2.547 1.471 -8.005) 8.528 9.587 ( -9.032 -5.215 4.146) 11.223 9.650 ( -7.562 -4.366 -2.827) 9.178 10.073 ( 4.135 2.388 5.113) 6.996 10.158 ( 3.912 2.259 -4.057) 6.072 10.351 ( 11.964 6.907 10.869) 17.578 10.555 ( 4.049 2.338 -10.596) 11.582 11.027 ( 4.401 2.541 6.336) 8.122 11.207 ( 18.625 10.753 -15.371) 26.434 11.470 ( 1.275 0.736 5.704) 5.891 11.492 ( 1.689 0.975 6.100) 6.404 11.641 ( 10.963 6.330 -2.197) 12.848 11.686 ( 11.872 6.855 -4.436) 14.409 11.998 ( 5.840 3.372 11.129) 13.013 12.142 ( 15.558 8.982 12.342) 21.796 12.280 ( 8.200 4.734 -16.872) 19.347 12.469 ( 20.380 11.766 -21.589) 31.935 13.237 ( -11.565 -6.677 4.494) 14.090 13.317 ( -11.851 -6.842 -4.142) 14.298 13.442 ( 3.997 2.308 4.721) 6.602 13.527 ( 3.482 2.010 -4.475) 6.016 14.427 ( 3.626 2.093 4.460) 6.117 14.512 ( 3.719 2.147 -4.694) 6.362 15.300 ( -2.938 -1.696 8.609) 9.253 15.321 ( -1.037 -0.599 8.439) 8.523 15.442 ( -2.657 -1.534 -6.746) 7.411 15.464 ( -0.972 -0.561 -6.916) 7.006 16.103 ( 0.524 0.303 1.323) 1.455 16.121 ( 0.819 0.473 -0.717) 1.187 16.246 ( 2.986 1.724 2.898) 4.504 16.298 ( 2.969 1.714 -2.646) 4.331 16.895 ( -8.995 -5.193 0.050) 10.387 16.917 ( -5.499 -3.175 -2.986) 7.017======================= Grid point 220 (31/42) =======================q-point: ( 0.20 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 27.199 15.703 7.673) 32.330 1.792 ( 24.832 14.337 -7.952) 29.756 2.040 ( 9.234 5.331 39.360) 40.779 2.574 ( 28.261 16.316 -17.055) 36.821 2.720 ( 43.696 25.228 8.017) 51.089 2.983 ( 17.785 10.268 -22.181) 30.228 3.869 ( 2.584 1.492 6.099) 6.790 3.941 ( -2.231 -1.288 2.004) 3.264 4.027 ( 0.916 0.529 -0.646) 1.240 4.130 ( -5.296 -3.058 -8.246) 10.266 4.296 ( 15.807 9.126 7.507) 19.735 4.445 ( 14.414 8.322 -8.582) 18.726 5.086 ( -15.134 -8.738 5.523) 18.328 5.166 ( -14.766 -8.525 -3.015) 17.314 5.257 ( -5.807 -3.353 -0.411) 6.718 5.269 ( -3.864 -2.231 -0.714) 4.519 5.551 ( -1.263 -0.729 2.961) 3.300 5.623 ( -1.123 -0.649 -1.124) 1.716 5.662 ( 0.136 0.078 2.107) 2.113 5.786 ( 2.716 1.568 -8.157) 8.739 5.888 ( -5.520 -3.187 3.474) 7.259 5.944 ( -2.875 -1.660 -2.663) 4.256 6.357 ( 3.586 2.070 4.719) 6.278 6.429 ( 2.214 1.278 -3.319) 4.189 6.716 ( -21.375 -12.341 3.500) 24.929 6.766 ( -20.360 -11.755 -2.101) 23.603 6.925 ( -16.543 -9.551 2.180) 19.226 6.955 ( -13.987 -8.075 -1.141) 16.191 7.202 ( -10.605 -6.123 1.236) 12.308 7.210 ( -5.239 -3.025 -0.336) 6.059 7.482 ( -4.312 -2.489 4.249) 6.545 7.527 ( -7.382 -4.262 0.043) 8.524 8.165 ( 0.683 0.394 0.409) 0.888 8.166 ( -0.957 -0.553 0.379) 1.168 8.365 ( 9.463 5.463 1.281) 11.002 8.393 ( 9.009 5.201 -1.850) 10.566 8.935 ( 2.496 1.441 7.889) 8.399 8.990 ( 3.736 2.157 7.861) 8.967 9.087 ( 2.926 1.690 -7.778) 8.480 9.154 ( 4.645 2.682 -8.976) 10.456 9.361 ( -9.509 -5.490 4.639) 11.920 9.442 ( -9.217 -5.321 -4.105) 11.406 10.203 ( 6.132 3.540 4.771) 8.538 10.284 ( 5.863 3.385 -3.857) 7.791 10.411 ( -3.740 -2.159 4.311) 6.102 10.493 ( -5.900 -3.407 -4.579) 8.209 11.166 ( 5.371 3.101 14.891) 16.131 11.439 ( 4.266 2.463 -13.445) 14.318 11.546 ( 4.440 2.564 6.361) 8.170 11.599 ( 6.686 3.860 2.505) 8.116 11.915 ( 8.733 5.042 -3.380) 10.635 11.990 ( 11.650 6.726 -8.271) 15.792 12.241 ( 13.342 7.703 13.460) 20.457 12.523 ( 14.365 8.294 -13.782) 21.566 12.626 ( 18.456 10.656 11.753) 24.337 12.881 ( -7.589 -4.381 -0.864) 8.805 12.966 ( 9.643 5.568 -14.647) 18.399 12.974 ( -14.935 -8.623 -3.706) 17.639 13.563 ( 5.523 3.188 2.353) 6.797 13.589 ( 1.050 0.606 -0.196) 1.228 14.497 ( 1.475 0.851 4.613) 4.917 14.585 ( 1.642 0.948 -4.898) 5.252 15.215 ( -3.636 -2.099 9.405) 10.299 15.303 ( -0.424 -0.245 7.004) 7.021 15.368 ( -2.961 -1.709 -6.730) 7.549 15.435 ( -1.346 -0.777 -6.659) 6.838 16.077 ( -2.976 -1.718 3.804) 5.127 16.130 ( -0.740 -0.427 -1.851) 2.039 16.336 ( 4.098 2.366 2.943) 5.572 16.389 ( 4.257 2.458 -2.715) 5.616 16.648 ( -9.847 -5.685 5.156) 12.485 16.794 ( -4.046 -2.336 -11.048) 11.996======================= Grid point 221 (32/42) =======================q-point: ( 0.30 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.288 ( 12.663 7.311 34.077) 37.081 2.289 ( 25.441 14.688 4.968) 29.794 2.388 ( 23.428 13.526 -5.433) 27.593 2.875 ( 7.567 4.369 -29.319) 30.593 3.698 ( 30.849 17.811 3.039) 35.751 3.750 ( 32.370 18.689 -2.472) 37.459 3.856 ( -4.303 -2.484 2.829) 5.718 3.905 ( -2.656 -1.534 -2.209) 3.780 4.033 ( 4.200 2.425 1.619) 5.113 4.075 ( 3.684 2.127 -2.693) 5.035 4.641 ( 9.928 5.732 5.317) 12.637 4.726 ( -7.005 -4.044 -0.255) 8.093 4.766 ( 3.732 2.154 -1.492) 4.560 4.811 ( -12.115 -6.995 -2.740) 14.255 5.107 ( -6.544 -3.778 1.526) 7.709 5.152 ( -5.687 -3.283 -3.062) 7.245 5.532 ( 1.181 0.682 4.044) 4.268 5.607 ( 0.216 0.124 -0.966) 0.998 5.671 ( 0.445 0.257 5.694) 5.717 5.782 ( -3.501 -2.021 5.648) 6.946 5.854 ( 2.121 1.225 -9.881) 10.180 5.902 ( -0.985 -0.569 -6.261) 6.363 6.172 ( -15.925 -9.194 3.520) 18.722 6.221 ( -12.992 -7.501 -2.249) 15.169 6.417 ( -11.119 -6.419 -0.142) 12.840 6.419 ( -9.894 -5.713 -0.404) 11.432 6.602 ( -7.156 -4.132 4.626) 9.470 6.675 ( -7.941 -4.585 -3.535) 9.827 6.965 ( -7.887 -4.554 5.051) 10.414 7.056 ( -6.602 -3.812 -4.938) 9.083 7.439 ( -1.492 -0.862 2.088) 2.707 7.441 ( -0.335 -0.193 1.762) 1.804 8.058 ( -7.474 -4.315 3.044) 9.151 8.105 ( -5.261 -3.037 -2.008) 6.398 8.551 ( 5.865 3.386 0.358) 6.782 8.566 ( 5.406 3.121 -1.414) 6.401 9.018 ( 4.333 2.502 7.639) 9.132 9.076 ( 0.750 0.433 6.118) 6.179 9.155 ( -3.035 -1.752 0.495) 3.539 9.198 ( 4.358 2.516 -1.771) 5.334 9.211 ( -7.152 -4.129 -5.535) 9.941 9.301 ( 4.844 2.797 -8.092) 9.837 10.251 ( -7.404 -4.275 2.946) 9.043 10.304 ( -5.307 -3.064 -2.091) 6.475 10.369 ( 3.404 1.965 3.329) 5.151 10.445 ( 6.150 3.551 -4.156) 8.228 11.285 ( 4.962 2.865 15.323) 16.359 11.543 ( 4.988 2.880 -11.586) 12.938 11.644 ( 3.055 1.764 7.256) 8.068 11.752 ( 4.922 2.841 -2.658) 6.274 12.062 ( 3.311 1.912 2.155) 4.389 12.166 ( 0.004 0.002 -6.746) 6.746 12.393 ( -5.280 -3.048 12.543) 13.946 12.654 ( -3.899 -2.251 -13.609) 14.334 12.739 ( 5.390 3.112 7.460) 9.715 12.903 ( 12.013 6.936 -12.115) 18.417 13.009 ( 12.597 7.273 12.908) 19.447 13.259 ( 9.763 5.637 -13.230) 17.382 13.599 ( 1.211 0.699 4.342) 4.561 13.692 ( 5.307 3.064 -4.734) 7.744 14.478 ( -3.257 -1.880 4.904) 6.180 14.572 ( -2.906 -1.678 -5.294) 6.268 15.146 ( -1.809 -1.045 10.301) 10.510 15.281 ( -1.517 -0.876 -0.813) 1.932 15.339 ( 0.788 0.455 -0.851) 1.246 15.401 ( -1.483 -0.856 -4.056) 4.403 15.968 ( -5.596 -3.231 4.254) 7.737 16.048 ( -5.999 -3.464 -4.464) 8.241 16.420 ( 2.073 1.197 4.272) 4.897 16.489 ( 3.798 2.193 -3.383) 5.539 16.501 ( -1.282 -0.740 10.502) 10.606 16.725 ( -1.900 -1.097 -13.461) 13.639======================= Grid point 222 (33/42) =======================q-point: ( 0.40 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.618 ( 13.471 7.778 24.883) 29.345 2.828 ( 17.895 10.331 2.438) 20.806 2.889 ( 17.127 9.888 -3.063) 20.012 3.068 ( 8.207 4.738 -22.553) 24.463 3.696 ( -10.492 -6.058 2.963) 12.473 3.746 ( -4.443 -2.565 -2.512) 5.712 3.919 ( -0.897 -0.518 4.592) 4.707 4.005 ( -2.455 -1.417 -4.654) 5.449 4.467 ( 5.837 3.370 2.187) 7.086 4.503 ( -0.778 -0.449 -1.257) 1.545 4.552 ( 7.884 4.552 1.395) 9.210 4.579 ( 18.747 10.823 -1.942) 21.734 4.800 ( -0.912 -0.526 0.566) 1.195 4.817 ( -3.550 -2.050 -1.297) 4.300 5.007 ( -1.309 -0.756 1.733) 2.300 5.060 ( -1.562 -0.902 -3.940) 4.333 5.573 ( -4.334 -2.502 8.462) 9.831 5.633 ( 1.087 0.627 2.455) 2.757 5.693 ( 1.688 0.974 2.792) 3.404 5.700 ( 2.197 1.268 1.607) 3.003 5.849 ( -1.928 -1.113 -1.688) 2.793 5.875 ( -0.727 -0.420 -3.654) 3.750 5.982 ( 0.316 0.182 1.266) 1.318 6.056 ( -1.172 -0.677 -6.489) 6.629 6.146 ( -8.134 -4.696 1.244) 9.475 6.178 ( -6.733 -3.887 -1.319) 7.885 6.474 ( -5.868 -3.388 -1.373) 6.913 6.477 ( -9.635 -5.563 -2.439) 11.390 6.840 ( -2.968 -1.713 4.842) 5.932 6.927 ( -3.741 -2.160 -4.799) 6.457 7.420 ( -0.335 -0.193 3.273) 3.295 7.444 ( 0.372 0.215 0.655) 0.783 7.850 ( -8.445 -4.876 5.929) 11.412 7.950 ( -6.456 -3.728 -4.836) 8.887 8.654 ( 2.918 1.685 -0.088) 3.370 8.663 ( 2.842 1.641 -1.210) 3.498 8.962 ( -5.021 -2.899 4.345) 7.245 9.041 ( -5.647 -3.260 -4.181) 7.746 9.130 ( 4.340 2.506 7.187) 8.762 9.214 ( 3.586 2.071 1.548) 4.421 9.336 ( 5.309 3.065 -1.757) 6.377 9.433 ( 4.600 2.656 -8.685) 10.181 10.074 ( -6.463 -3.732 2.887) 8.002 10.130 ( -6.615 -3.819 -3.165) 8.268 10.492 ( 4.625 2.670 5.292) 7.519 10.585 ( 5.031 2.905 -4.756) 7.508 11.404 ( 4.491 2.593 16.563) 17.356 11.675 ( 5.402 3.119 -11.121) 12.751 11.681 ( 0.115 0.066 6.497) 6.499 11.793 ( -1.593 -0.920 -5.585) 5.880 11.996 ( -6.341 -3.661 -3.053) 7.933 11.997 ( -9.239 -5.334 -1.854) 10.828 12.390 ( 6.500 3.753 18.980) 20.410 12.733 ( 6.762 3.904 -16.965) 18.676 12.806 ( -2.711 -1.565 15.604) 15.915 13.107 ( 3.975 2.295 -16.392) 17.023 13.236 ( 5.957 3.440 9.555) 11.773 13.462 ( 6.661 3.846 -12.649) 14.804 13.704 ( 7.849 4.532 5.042) 10.372 13.847 ( 7.908 4.566 -9.484) 13.165 14.341 ( -7.730 -4.463 5.609) 10.542 14.450 ( -6.769 -3.908 -6.224) 9.992 15.133 ( 0.555 0.320 10.383) 10.403 15.256 ( -0.461 -0.266 -2.066) 2.134 15.362 ( -1.741 -1.005 1.610) 2.576 15.378 ( 2.094 1.209 -1.220) 2.708 15.834 ( -4.963 -2.866 2.998) 6.468 15.899 ( -5.140 -2.968 -3.918) 7.112 16.441 ( 0.528 0.305 7.414) 7.439 16.534 ( 1.899 1.096 7.293) 7.616 16.562 ( 2.065 1.192 -5.646) 6.129 16.695 ( -0.731 -0.422 -9.886) 9.922======================= Grid point 223 (34/42) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.818 ( 0.000 0.000 18.446) 18.446 3.055 ( 0.000 0.000 -2.420) 2.420 3.138 ( 0.000 0.000 -1.412) 1.412 3.208 ( 0.000 0.000 -13.502) 13.502 3.504 ( 0.000 0.000 9.105) 9.105 3.672 ( 0.000 0.000 -8.886) 8.886 3.894 ( 0.000 0.000 2.920) 2.920 3.947 ( 0.000 0.000 -2.897) 2.897 4.404 ( 0.000 0.000 3.371) 3.371 4.471 ( 0.000 0.000 -3.824) 3.824 4.707 ( 0.000 0.000 1.294) 1.294 4.734 ( 0.000 0.000 -1.589) 1.589 4.887 ( -0.000 -0.000 3.209) 3.209 4.934 ( 0.000 0.000 1.114) 1.114 4.942 ( -0.000 -0.000 -2.783) 2.783 4.992 ( 0.000 0.000 -4.952) 4.952 5.508 ( 0.000 0.000 8.973) 8.973 5.574 ( 0.000 0.000 1.740) 1.740 5.726 ( 0.000 0.000 6.221) 6.221 5.813 ( 0.000 0.000 1.636) 1.636 5.826 ( 0.000 0.000 -4.748) 4.748 5.848 ( 0.000 0.000 -3.947) 3.947 6.031 ( 0.000 0.000 -0.522) 0.522 6.031 ( 0.000 0.000 0.530) 0.530 6.078 ( 0.000 0.000 5.018) 5.018 6.193 ( -0.000 -0.000 8.384) 8.384 6.258 ( 0.000 0.000 -11.724) 11.724 6.368 ( 0.000 0.000 -10.319) 10.319 6.804 ( 0.000 0.000 4.689) 4.689 6.881 ( 0.000 0.000 -3.819) 3.819 7.417 ( 0.000 0.000 3.689) 3.689 7.450 ( 0.000 0.000 0.133) 0.133 7.732 ( 0.000 0.000 7.488) 7.488 7.859 ( 0.000 0.000 -6.305) 6.305 8.692 ( 0.000 0.000 -0.165) 0.165 8.701 ( 0.000 0.000 -1.260) 1.260 8.896 ( 0.000 0.000 3.957) 3.957 8.967 ( 0.000 0.000 -3.695) 3.695 9.191 ( 0.000 0.000 6.834) 6.834 9.263 ( 0.000 0.000 1.647) 1.647 9.409 ( 0.000 0.000 -2.063) 2.063 9.493 ( 0.000 0.000 -8.381) 8.381 9.986 ( 0.000 0.000 2.838) 2.838 10.039 ( 0.000 0.000 -2.909) 2.909 10.555 ( 0.000 0.000 5.615) 5.615 10.654 ( 0.000 0.000 -5.067) 5.067 11.468 ( 0.000 0.000 18.029) 18.029 11.673 ( 0.000 0.000 4.797) 4.797 11.724 ( 0.000 0.000 -0.365) 0.365 11.789 ( 0.000 0.000 -16.462) 16.462 11.870 ( 0.000 0.000 -0.558) 0.558 11.900 ( 0.000 0.000 -4.194) 4.194 12.535 ( 0.000 0.000 16.970) 16.970 12.705 ( 0.000 0.000 22.339) 22.339 12.837 ( 0.000 0.000 -15.338) 15.338 13.136 ( 0.000 0.000 -22.714) 22.714 13.302 ( 0.000 0.000 9.306) 9.306 13.540 ( 0.000 0.000 -14.809) 14.809 13.871 ( 0.000 0.000 5.076) 5.076 13.992 ( 0.000 0.000 -8.241) 8.241 14.190 ( 0.000 0.000 6.890) 6.890 14.324 ( 0.000 0.000 -7.761) 7.761 15.147 ( 0.000 0.000 9.692) 9.692 15.252 ( 0.000 0.000 -1.587) 1.587 15.334 ( 0.000 0.000 5.841) 5.841 15.412 ( 0.000 0.000 -2.737) 2.737 15.765 ( 0.000 0.000 2.766) 2.766 15.834 ( 0.000 0.000 -4.388) 4.388 16.449 ( 0.000 0.000 6.868) 6.868 16.558 ( 0.000 0.000 7.121) 7.121 16.586 ( 0.000 0.000 -7.822) 7.822 16.687 ( -0.000 -0.000 -6.706) 6.706======================= Grid point 230 (35/42) =======================q-point: ( 0.10 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.467 ( 15.400 26.674 8.767) 32.024 1.633 ( 14.024 24.290 -9.055) 29.473 1.974 ( 7.095 12.289 36.270) 38.947 2.353 ( 22.085 38.252 -9.683) 45.219 2.449 ( 23.259 40.285 13.365) 48.399 2.906 ( 4.324 7.490 -30.901) 32.088 3.849 ( 1.155 2.001 6.769) 7.152 3.951 ( -0.589 -1.020 -1.084) 1.601 4.022 ( -0.201 -0.348 2.733) 2.763 4.164 ( -2.625 -4.547 -9.514) 10.866 4.198 ( 9.062 15.696 7.826) 19.742 4.352 ( 8.316 14.403 -8.948) 18.885 5.186 ( -8.570 -14.844 5.920) 18.134 5.275 ( -2.713 -4.700 0.390) 5.441 5.278 ( -8.429 -14.599 -4.251) 17.385 5.291 ( -2.136 -3.699 -0.547) 4.306 5.559 ( -0.519 -0.899 2.856) 3.039 5.643 ( -0.083 -0.145 -5.977) 5.980 5.646 ( -1.022 -1.770 5.493) 5.861 5.758 ( 0.788 1.364 -7.058) 7.232 5.923 ( -3.107 -5.382 3.658) 7.211 5.982 ( -1.339 -2.319 -2.540) 3.691 6.319 ( 2.949 5.108 5.734) 8.226 6.407 ( 3.153 5.461 -3.991) 7.462 6.924 ( -11.055 -19.148 2.181) 22.217 6.942 ( -11.534 -19.977 3.385) 23.315 6.944 ( -9.880 -17.112 -0.141) 19.760 7.005 ( -11.084 -19.198 -3.339) 22.418 7.228 ( -2.332 -4.040 2.159) 5.141 7.268 ( -5.023 -8.701 -1.556) 10.167 7.531 ( -4.282 -7.416 6.398) 10.689 7.601 ( -5.869 -10.166 -0.398) 11.746 8.215 ( 3.993 6.916 1.054) 8.055 8.239 ( 3.563 6.171 -1.526) 7.287 8.244 ( 3.567 6.178 1.488) 7.287 8.265 ( 3.185 5.516 -0.876) 6.430 8.883 ( 0.023 0.040 7.652) 7.652 8.997 ( 2.584 4.475 8.282) 9.762 9.027 ( 0.173 0.299 -7.819) 7.827 9.157 ( 2.828 4.899 -8.877) 10.526 9.436 ( -4.998 -8.657 4.823) 11.099 9.521 ( -4.431 -7.675 -4.378) 9.885 10.145 ( 2.769 4.797 4.817) 7.340 10.225 ( 2.584 4.475 -3.860) 6.450 10.439 ( -0.506 -0.877 5.457) 5.550 10.536 ( -2.373 -4.110 -5.077) 6.950 11.153 ( 4.727 8.187 14.766) 17.533 11.406 ( -0.447 -0.775 8.973) 9.017 11.455 ( 5.692 9.858 -17.864) 21.182 11.559 ( 0.202 0.351 -7.216) 7.228 11.869 ( 10.111 17.512 7.997) 21.745 12.032 ( 10.697 18.528 -9.526) 23.419 12.064 ( 2.883 4.994 15.182) 16.240 12.390 ( 4.319 7.481 -19.337) 21.179 12.523 ( 12.955 22.439 15.514) 30.200 12.855 ( 11.720 20.300 -20.473) 31.123 13.001 ( -8.392 -14.535 4.090) 17.275 13.074 ( -8.656 -14.992 -3.910) 17.748 13.523 ( 2.719 4.709 3.719) 6.588 13.580 ( 1.405 2.434 -2.322) 3.646 14.484 ( 1.369 2.371 4.576) 5.332 14.571 ( 1.459 2.527 -4.827) 5.640 15.236 ( -2.303 -3.989 9.145) 10.239 15.309 ( -0.221 -0.383 7.726) 7.739 15.385 ( -2.054 -3.558 -6.972) 8.092 15.445 ( -0.664 -1.149 -6.878) 7.005 16.092 ( -1.131 -1.959 3.080) 3.821 16.131 ( 0.021 0.037 -1.197) 1.197 16.310 ( 2.343 4.058 2.919) 5.520 16.362 ( 2.392 4.143 -2.672) 5.480 16.711 ( -6.216 -10.766 3.654) 12.958 16.827 ( -2.617 -4.532 -9.408) 10.765======================= Grid point 231 (36/42) =======================q-point: ( 0.20 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.062 ( 20.391 23.107 6.228) 31.441 2.180 ( 15.743 19.193 4.983) 25.319 2.195 ( 11.303 12.541 25.327) 30.439 2.810 ( 6.335 7.439 -29.900) 31.456 3.386 ( 30.305 35.043 2.716) 46.409 3.447 ( 26.960 30.353 -3.793) 40.774 3.889 ( -0.315 -1.440 4.472) 4.709 3.898 ( -0.958 -1.344 2.999) 3.423 4.033 ( -0.255 -1.527 -3.052) 3.422 4.053 ( -2.409 -2.559 -4.761) 5.918 4.543 ( 10.607 13.205 5.803) 17.904 4.655 ( 9.091 10.238 -6.293) 15.069 4.857 ( -10.981 -12.483 5.236) 17.431 4.940 ( -11.803 -12.510 -3.855) 17.626 5.156 ( -4.346 -5.846 1.334) 7.406 5.191 ( -3.767 -5.242 -1.939) 6.740 5.533 ( -0.591 -0.481 3.740) 3.817 5.612 ( -0.974 -0.587 1.603) 1.966 5.638 ( 0.805 -1.957 0.638) 2.210 5.789 ( 1.620 -1.633 -9.514) 9.788 5.833 ( -2.315 -0.831 6.910) 7.335 5.960 ( -1.084 2.713 -6.718) 7.325 6.303 ( -7.388 -10.347 2.564) 12.970 6.336 ( -11.823 -11.910 -0.929) 16.807 6.514 ( -10.347 -10.903 2.128) 15.181 6.544 ( -12.433 -8.329 -1.095) 15.004 6.649 ( -4.046 -8.345 3.698) 9.985 6.709 ( -3.264 -9.507 -2.730) 10.416 7.049 ( -7.626 -8.099 3.311) 11.606 7.110 ( -5.003 -6.292 -3.428) 8.739 7.453 ( -1.288 -0.504 2.990) 3.294 7.473 ( -2.571 -1.452 0.956) 3.103 8.215 ( -9.134 4.295 1.022) 10.145 8.230 ( -7.175 4.797 -0.482) 8.644 8.419 ( 9.547 -0.793 0.443) 9.590 8.432 ( 9.479 -1.844 -0.985) 9.706 8.920 ( 4.137 -0.336 7.925) 8.946 9.064 ( 3.083 1.065 -5.476) 6.374 9.100 ( 3.980 3.677 5.617) 7.805 9.243 ( -5.018 -3.318 2.128) 6.381 9.260 ( 0.896 1.729 -5.497) 5.832 9.349 ( -7.209 -3.027 -5.953) 9.827 10.259 ( 4.471 2.092 4.378) 6.598 10.327 ( 1.409 0.718 -1.976) 2.531 10.359 ( -1.476 -2.554 1.522) 3.319 10.416 ( -4.770 -3.869 -3.618) 7.128 11.289 ( 0.647 7.663 15.108) 16.952 11.457 ( 7.986 -4.287 9.627) 13.222 11.534 ( -0.321 2.266 -10.237) 10.490 11.671 ( 7.686 1.539 -13.322) 15.457 12.092 ( -0.901 11.919 13.712) 18.191 12.301 ( 8.683 8.939 5.278) 13.534 12.334 ( 3.730 12.273 -3.865) 13.397 12.613 ( 11.616 0.912 -20.123) 23.253 12.707 ( -6.637 -8.472 3.852) 11.431 12.774 ( -5.250 -8.496 -3.336) 10.530 12.969 ( 10.710 18.943 13.191) 25.447 13.218 ( 8.318 13.368 -12.665) 20.206 13.579 ( 1.032 0.241 3.489) 3.647 13.656 ( 3.237 4.436 -3.806) 6.681 14.495 ( -1.097 -1.541 4.807) 5.166 14.587 ( -0.899 -1.261 -5.144) 5.372 15.155 ( -1.932 -3.301 9.969) 10.678 15.300 ( -1.624 -0.806 0.535) 1.891 15.321 ( 0.154 -1.723 -1.497) 2.287 15.418 ( -1.153 -0.917 -5.490) 5.684 16.012 ( -3.766 -4.526 4.433) 7.370 16.089 ( -3.155 -3.991 -3.946) 6.438 16.400 ( 2.691 3.452 3.213) 5.430 16.457 ( 3.121 3.829 -2.944) 5.751 16.523 ( -3.674 -4.747 10.545) 12.134 16.749 ( -2.153 -1.924 -13.922) 14.218======================= Grid point 232 (37/42) =======================q-point: ( 0.30 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.492 ( 11.760 12.223 28.646) 33.291 2.646 ( 18.604 18.861 4.125) 26.812 2.727 ( 16.815 18.299 -4.765) 25.304 2.997 ( 6.800 7.493 -25.643) 27.567 3.795 ( -4.039 -3.108 0.691) 5.144 3.804 ( -7.230 -5.044 -0.278) 8.820 3.925 ( -0.364 1.241 4.528) 4.709 4.010 ( 0.923 1.370 -4.662) 4.946 4.215 ( 22.290 12.926 1.748) 25.826 4.243 ( 23.739 12.949 -1.414) 27.078 4.568 ( -7.140 -7.740 2.925) 10.929 4.614 ( -8.849 -6.888 -1.913) 11.376 4.801 ( 3.503 3.997 0.837) 5.381 4.826 ( 1.754 0.126 -1.906) 2.593 5.021 ( -3.335 -4.030 1.989) 5.596 5.072 ( -2.462 -3.459 -3.382) 5.428 5.548 ( -2.970 -9.029 7.925) 12.376 5.600 ( 4.877 5.763 4.160) 8.620 5.659 ( 0.457 -0.494 -3.255) 3.324 5.701 ( -2.566 -7.805 -5.108) 9.675 5.832 ( -0.115 1.960 7.073) 7.341 5.958 ( -4.830 -1.791 -0.361) 5.163 6.010 ( -2.989 -0.872 -2.642) 4.083 6.086 ( -3.701 -3.181 -7.339) 8.813 6.247 ( -7.245 -6.255 2.940) 10.013 6.297 ( -7.884 -3.430 -2.030) 8.834 6.562 ( -5.188 -0.133 2.287) 5.671 6.604 ( -6.542 -1.343 -2.565) 7.154 6.873 ( -3.756 -4.237 4.229) 7.067 6.961 ( -3.826 -5.034 -5.443) 8.343 7.435 ( -1.010 0.405 2.987) 3.179 7.448 ( -0.222 0.803 1.325) 1.565 8.025 ( -13.401 0.383 3.808) 13.937 8.089 ( -10.657 0.850 -3.068) 11.123 8.546 ( 7.546 -4.446 -0.274) 8.763 8.550 ( 7.221 -4.134 -0.716) 8.352 8.985 ( 0.784 -1.772 6.529) 6.810 9.098 ( -2.794 -1.829 -5.524) 6.455 9.117 ( -1.305 0.226 6.241) 6.380 9.185 ( 1.732 2.211 4.752) 5.520 9.268 ( 4.287 1.534 -4.359) 6.304 9.369 ( 3.956 2.894 -9.286) 10.501 10.177 ( -7.615 -2.357 2.946) 8.498 10.234 ( -7.647 -2.464 -3.192) 8.645 10.393 ( 6.058 -0.864 4.421) 7.549 10.470 ( 6.947 -1.465 -3.901) 8.101 11.366 ( 2.832 1.411 12.373) 12.772 11.529 ( 3.984 -5.563 11.223) 13.144 11.545 ( 3.902 -6.968 -7.612) 11.032 11.786 ( 2.178 3.145 -15.140) 15.616 12.179 ( -3.008 9.438 13.778) 16.969 12.304 ( -9.575 3.293 3.733) 10.792 12.372 ( -6.827 8.799 2.313) 11.375 12.647 ( 5.722 1.494 -15.391) 16.488 12.725 ( 5.478 -2.535 7.604) 9.709 12.924 ( 11.905 -2.674 -13.627) 18.291 13.284 ( 3.667 15.759 12.050) 20.174 13.457 ( 7.857 8.510 -0.498) 11.593 13.645 ( 2.831 6.479 -4.112) 8.179 13.768 ( 4.894 3.921 -10.871) 12.550 14.401 ( -5.100 -5.715 5.383) 9.362 14.504 ( -4.563 -4.988 -5.817) 8.919 15.114 ( 0.472 -1.662 10.415) 10.558 15.260 ( -0.669 -1.150 -4.341) 4.541 15.335 ( 1.368 -0.940 2.429) 2.942 15.385 ( -1.137 -0.923 -1.981) 2.463 15.878 ( -4.772 -5.373 4.424) 8.439 15.959 ( -4.833 -3.997 -4.379) 7.649 16.447 ( -0.153 1.417 7.515) 7.649 16.505 ( 2.296 0.871 7.753) 8.133 16.544 ( 2.274 2.830 -4.103) 5.479 16.704 ( -1.222 -1.133 -12.233) 12.346======================= Grid point 233 (38/42) =======================q-point: ( 0.40 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.805 ( 6.848 9.771 19.882) 23.188 3.054 ( 6.326 10.565 -0.573) 12.328 3.123 ( 7.925 11.892 -2.445) 14.498 3.200 ( 5.346 7.999 -15.593) 18.322 3.573 ( -9.340 -5.419 6.941) 12.837 3.697 ( -3.437 -2.064 -6.344) 7.505 3.889 ( -1.018 -1.961 3.143) 3.842 3.948 ( -2.299 -3.342 -3.278) 5.216 4.376 ( -1.292 -6.513 2.983) 7.279 4.436 ( 0.429 -4.807 -3.432) 5.922 4.622 ( 8.490 -3.749 0.327) 9.287 4.634 ( 8.053 -4.778 -0.824) 9.400 4.824 ( 3.225 3.250 2.821) 5.378 4.885 ( 5.230 5.589 -3.981) 8.627 4.963 ( -2.186 -3.491 1.859) 4.519 5.016 ( -2.006 -3.378 -3.653) 5.365 5.344 ( 0.197 -15.912 7.620) 17.643 5.464 ( 0.631 -15.640 -5.397) 16.557 5.749 ( 0.044 3.840 5.755) 6.919 5.791 ( 2.877 6.239 7.699) 10.319 5.856 ( -0.515 5.540 1.040) 5.660 5.941 ( 2.677 -0.111 5.944) 6.520 6.010 ( -2.222 3.569 -7.983) 9.022 6.083 ( -0.214 4.146 -8.261) 9.246 6.183 ( -0.069 6.667 4.431) 8.005 6.224 ( -3.773 8.217 0.869) 9.083 6.420 ( -8.173 -0.808 -4.641) 9.434 6.435 ( -10.328 1.389 -5.259) 11.673 6.811 ( -0.837 -0.996 3.868) 4.081 6.884 ( -0.942 -1.740 -4.249) 4.687 7.430 ( -0.710 1.450 3.978) 4.293 7.464 ( -0.181 2.183 0.221) 2.202 7.806 ( -8.592 0.176 6.685) 10.888 7.921 ( -6.705 0.670 -5.734) 8.847 8.607 ( 5.822 -6.921 -0.449) 9.055 8.611 ( 5.159 -5.831 -0.749) 7.822 8.921 ( -2.869 -0.320 4.473) 5.323 9.003 ( -3.771 0.188 -4.324) 5.740 9.175 ( 2.634 1.118 7.375) 7.910 9.248 ( 2.023 0.712 3.408) 4.026 9.374 ( 3.854 0.263 -4.097) 5.631 9.453 ( 3.314 -0.709 -8.711) 9.347 10.042 ( -5.159 0.760 2.874) 5.955 10.096 ( -5.271 0.683 -2.952) 6.080 10.473 ( 5.291 -4.458 4.851) 8.450 10.558 ( 6.107 -5.420 -4.272) 9.215 11.401 ( 6.688 -11.549 6.378) 14.791 11.505 ( 5.045 -11.614 -1.993) 12.818 11.525 ( -0.921 -0.165 13.175) 13.209 11.836 ( -1.415 5.445 -16.260) 17.205 12.144 ( -11.794 16.041 5.027) 20.535 12.222 ( -10.228 13.957 -2.668) 17.508 12.465 ( 8.084 3.459 17.850) 19.898 12.658 ( -3.008 -9.270 17.215) 19.782 12.807 ( 4.994 2.833 -17.015) 17.958 13.011 ( 4.834 -8.041 -21.154) 23.141 13.423 ( -3.667 12.023 13.217) 18.240 13.687 ( -0.195 13.144 -12.454) 18.108 13.777 ( 7.295 2.635 3.281) 8.422 13.935 ( 7.481 3.325 -11.021) 13.729 14.214 ( -6.074 -7.461 6.651) 11.696 14.343 ( -5.013 -6.050 -7.504) 10.864 15.127 ( 1.618 -0.678 9.933) 10.086 15.250 ( 0.100 -0.266 -2.984) 2.998 15.314 ( -0.052 -3.359 5.688) 6.605 15.389 ( 1.605 -0.640 -2.724) 3.226 15.761 ( -2.010 -3.455 5.626) 6.901 15.869 ( -2.716 0.258 -5.751) 6.365 16.457 ( -0.260 1.147 7.217) 7.312 16.548 ( 1.247 0.194 6.861) 6.976 16.591 ( 0.391 1.540 -7.003) 7.181 16.682 ( -0.045 -0.909 -7.628) 7.682======================= Grid point 241 (39/42) =======================q-point: ( 0.20 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.450 ( 8.630 14.948 30.124) 34.719 2.571 ( 14.263 24.704 4.904) 28.945 2.670 ( 13.584 23.528 -5.711) 27.762 2.975 ( 5.237 9.071 -26.604) 28.592 3.816 ( -2.326 -4.029 2.221) 5.155 3.846 ( -3.221 -5.579 -0.906) 6.505 3.963 ( -1.461 -2.531 3.459) 4.528 4.038 ( -0.731 -1.266 -4.220) 4.466 4.040 ( 13.948 24.159 0.569) 27.902 4.051 ( 13.882 24.044 -0.648) 27.772 4.599 ( -6.437 -11.149 4.244) 13.555 4.673 ( -7.017 -12.153 -3.676) 14.507 4.775 ( 4.161 7.207 1.229) 8.412 4.800 ( 1.683 2.915 -1.770) 3.803 5.032 ( -3.313 -5.738 1.936) 6.902 5.076 ( -2.615 -4.529 -2.581) 5.832 5.525 ( -5.311 -9.199 7.798) 13.177 5.586 ( 3.999 6.926 4.094) 8.985 5.664 ( 2.812 4.870 -4.583) 7.255 5.668 ( -7.135 -12.359 -7.481) 16.112 5.848 ( 1.153 1.996 9.824) 10.091 6.004 ( -7.259 -12.573 4.616) 15.235 6.032 ( 2.207 3.823 -9.306) 10.300 6.104 ( -3.782 -6.551 -6.449) 9.940 6.275 ( -4.192 -7.262 4.954) 9.739 6.354 ( -3.453 -5.981 -3.044) 7.548 6.617 ( -0.064 -0.112 2.841) 2.844 6.656 ( -0.207 -0.358 -1.452) 1.510 6.883 ( -4.025 -6.972 3.089) 8.623 6.964 ( -4.015 -6.955 -5.625) 9.805 7.450 ( -0.036 -0.063 2.799) 2.800 7.458 ( 0.141 0.244 1.731) 1.754 8.284 ( -2.405 -4.166 0.752) 4.869 8.299 ( -1.810 -3.134 -0.799) 3.706 8.324 ( -1.079 -1.869 1.940) 2.902 8.363 ( -0.283 -0.490 -2.093) 2.168 8.954 ( 2.042 3.537 8.359) 9.303 9.113 ( 2.193 3.798 -8.786) 9.820 9.122 ( -2.246 -3.890 5.572) 7.157 9.192 ( 1.032 1.788 7.416) 7.698 9.227 ( -2.064 -3.575 -4.566) 6.155 9.365 ( 1.425 2.468 -9.977) 10.376 10.261 ( -2.696 -4.670 2.994) 6.168 10.303 ( 0.792 1.372 3.938) 4.245 10.318 ( -2.768 -4.794 -3.241) 6.414 10.369 ( 0.587 1.017 -3.215) 3.423 11.334 ( -2.940 -5.092 6.889) 9.057 11.463 ( -3.952 -6.845 -7.025) 10.574 11.475 ( 4.074 7.056 17.180) 19.014 11.789 ( 4.197 7.269 -16.602) 18.603 12.192 ( 0.632 1.094 21.743) 21.780 12.499 ( 4.886 8.463 8.931) 13.239 12.550 ( -1.424 -2.466 -5.713) 6.384 12.623 ( -0.484 -0.838 -3.743) 3.866 12.665 ( 5.763 9.981 -8.965) 14.601 12.693 ( 2.349 4.069 -14.858) 15.583 13.331 ( 8.320 14.410 10.784) 19.829 13.407 ( 3.403 5.894 8.539) 10.920 13.663 ( 4.322 7.486 -8.633) 12.216 13.758 ( 3.430 5.941 -12.633) 14.376 14.416 ( -3.624 -6.276 5.377) 9.024 14.518 ( -3.179 -5.507 -5.740) 8.566 15.098 ( -1.002 -1.736 10.338) 10.530 15.258 ( -1.041 -1.802 -7.177) 7.473 15.317 ( -0.061 -0.106 5.146) 5.148 15.390 ( -1.042 -1.804 -2.772) 3.468 15.893 ( -3.824 -6.623 5.176) 9.235 15.982 ( -2.870 -4.971 -4.523) 7.309 16.470 ( 1.667 2.888 3.775) 5.037 16.475 ( -0.126 -0.218 11.955) 11.958 16.538 ( 2.090 3.621 -3.530) 5.472 16.711 ( -1.077 -1.865 -13.347) 13.519======================= Grid point 242 (40/42) =======================q-point: ( 0.30 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.787 ( 9.553 15.516 21.987) 28.556 3.044 ( 11.183 18.273 3.199) 21.661 3.116 ( 10.046 17.712 -4.599) 20.875 3.186 ( 6.657 10.406 -19.577) 23.148 3.672 ( -7.823 -7.680 3.877) 11.628 3.731 ( -3.066 -3.255 -2.300) 5.029 3.901 ( -2.282 -2.104 3.426) 4.623 3.968 ( -3.459 -3.389 -3.683) 6.085 4.314 ( 2.468 -3.715 2.042) 4.905 4.355 ( 4.439 -0.989 -2.282) 5.088 4.445 ( 2.254 -4.843 1.381) 5.517 4.478 ( -0.939 -7.253 -2.005) 7.583 4.819 ( 0.164 0.133 1.441) 1.457 4.862 ( 2.337 2.399 -3.449) 4.808 4.950 ( -0.809 -2.739 2.618) 3.874 5.008 ( -1.370 -2.972 -3.195) 4.574 5.235 ( -7.402 -17.711 6.296) 20.202 5.346 ( -6.857 -17.447 -5.735) 19.604 5.789 ( 2.147 6.640 3.819) 7.955 5.796 ( 5.231 9.347 6.054) 12.303 5.881 ( 0.374 -1.375 8.299) 8.420 5.921 ( 2.822 6.296 6.508) 9.485 6.060 ( -0.578 1.572 -10.727) 10.857 6.119 ( 1.986 5.228 -10.714) 12.086 6.237 ( 0.786 4.207 4.684) 6.345 6.340 ( 0.174 6.380 -4.530) 7.827 6.565 ( -6.503 0.037 1.725) 6.728 6.601 ( -5.515 -0.136 -1.889) 5.831 6.792 ( 0.113 -3.517 2.472) 4.301 6.867 ( -0.080 -2.790 -5.664) 6.314 7.463 ( 0.266 2.898 3.897) 4.864 7.489 ( 1.242 3.782 0.878) 4.076 8.045 ( -15.893 1.029 3.828) 16.380 8.115 ( -12.647 1.146 -3.646) 13.212 8.369 ( 8.943 -11.680 1.673) 14.805 8.406 ( 7.674 -9.464 -2.295) 12.399 8.990 ( -3.760 2.026 6.236) 7.558 9.098 ( 4.502 -1.447 6.785) 8.270 9.104 ( -5.150 1.806 -5.231) 7.559 9.224 ( 2.319 1.135 0.881) 2.728 9.270 ( 5.894 -1.001 -1.425) 6.146 9.409 ( 1.341 0.996 -9.546) 9.691 10.152 ( -5.526 -0.267 2.997) 6.292 10.208 ( -5.633 -0.283 -2.988) 6.383 10.328 ( 3.738 -4.843 3.658) 7.128 10.390 ( 4.121 -5.544 -3.046) 7.550 11.220 ( -0.035 -9.720 5.116) 10.984 11.317 ( -0.535 -11.119 -5.351) 12.352 11.598 ( 0.834 6.832 17.702) 18.992 11.916 ( 1.014 7.087 -16.367) 17.864 12.265 ( 5.929 2.294 21.833) 22.739 12.483 ( -7.155 9.244 4.502) 12.527 12.581 ( -6.789 5.018 3.304) 9.066 12.625 ( 1.276 1.685 1.751) 2.745 12.758 ( 2.268 4.226 -18.175) 18.797 12.859 ( 6.321 -2.955 -14.666) 16.242 13.564 ( 10.233 5.075 12.349) 16.821 13.581 ( 2.025 11.655 13.220) 17.740 13.826 ( 6.561 5.969 -14.392) 16.905 13.896 ( 0.881 9.949 -17.816) 20.425 14.236 ( -6.383 -10.019 6.660) 13.619 14.363 ( -5.396 -8.371 -7.344) 12.374 15.090 ( 1.283 -0.327 10.318) 10.403 15.242 ( 0.362 -0.225 -6.202) 6.216 15.284 ( -1.335 -3.977 6.042) 7.355 15.360 ( 0.052 -1.490 -1.942) 2.448 15.765 ( -2.910 -4.586 8.795) 10.337 15.911 ( -1.767 -0.715 -6.891) 7.150 16.479 ( -0.409 1.562 8.498) 8.650 16.522 ( 1.753 0.536 5.775) 6.059 16.599 ( 1.076 2.282 -4.977) 5.580 16.674 ( -0.710 -1.640 -9.869) 10.029======================= Grid point 243 (41/42) =======================q-point: ( 0.40 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.003 ( -4.919 8.520 16.246) 18.992 3.245 ( -4.432 7.676 -4.442) 9.914 3.332 ( -3.743 6.483 -4.051) 8.511 3.380 ( -4.090 7.083 -7.316) 10.974 3.477 ( 1.752 -3.034 9.725) 10.337 3.653 ( 1.279 -2.215 -9.114) 9.466 3.867 ( -0.440 0.763 3.068) 3.192 3.914 ( -0.745 1.290 -2.126) 2.596 4.250 ( 2.612 -4.525 3.688) 6.395 4.330 ( 2.455 -4.252 -5.040) 7.036 4.461 ( 6.133 -10.623 0.571) 12.279 4.485 ( 5.341 -9.250 -2.172) 10.900 4.852 ( 0.837 -1.450 6.169) 6.392 4.896 ( 0.654 -1.132 0.750) 1.507 4.927 ( 1.321 -2.289 -2.837) 3.877 4.956 ( 0.046 -0.079 -5.316) 5.317 5.049 ( 5.915 -10.245 6.615) 13.553 5.173 ( 5.949 -10.303 -6.461) 13.538 5.822 ( -1.537 2.663 9.949) 10.413 5.864 ( -0.477 0.827 11.398) 11.438 5.953 ( -0.860 1.490 13.677) 13.784 5.986 ( -2.961 5.129 -7.697) 9.711 6.066 ( -1.094 1.895 -10.460) 10.686 6.207 ( -3.259 5.645 -12.734) 14.305 6.296 ( -2.816 4.877 4.816) 7.411 6.406 ( -1.243 2.153 -6.965) 7.395 6.440 ( -4.298 7.445 4.973) 9.931 6.530 ( -2.233 3.868 -4.218) 6.144 6.784 ( 1.245 -2.156 3.658) 4.425 6.867 ( -0.192 0.332 -5.545) 5.558 7.497 ( -2.736 4.738 5.198) 7.547 7.553 ( -3.358 5.817 -1.187) 6.821 7.857 ( -3.160 5.474 6.932) 9.381 7.977 ( -2.916 5.051 -6.013) 8.377 8.389 ( 7.665 -13.277 1.592) 15.413 8.427 ( 6.481 -11.226 -2.345) 13.173 8.955 ( -1.913 3.314 5.313) 6.548 9.054 ( -2.608 4.517 -5.408) 7.513 9.153 ( 1.957 -3.389 8.112) 9.007 9.249 ( 0.084 -0.145 4.724) 4.727 9.332 ( 2.554 -4.423 -5.943) 7.836 9.428 ( 0.543 -0.941 -9.201) 9.265 10.093 ( -2.059 3.567 2.949) 5.066 10.146 ( -2.078 3.600 -2.849) 5.039 10.337 ( 4.258 -7.375 3.682) 9.278 10.399 ( 4.773 -8.267 -3.061) 10.024 11.164 ( 4.972 -8.612 4.450) 10.895 11.249 ( 5.329 -9.231 -4.680) 11.641 11.641 ( -3.421 5.926 18.137) 19.385 11.963 ( -3.314 5.740 -16.184) 17.488 12.408 ( -2.313 4.006 13.730) 14.488 12.431 ( 3.312 -5.737 21.642) 22.633 12.510 ( -8.150 14.116 1.188) 16.343 12.636 ( -4.897 8.481 2.251) 10.049 12.841 ( 0.196 -0.340 -16.348) 16.353 12.860 ( 2.931 -5.076 -24.477) 25.169 13.650 ( -4.918 8.518 14.658) 17.652 13.765 ( 1.052 -1.823 9.473) 9.705 13.955 ( -5.364 9.291 -18.182) 21.111 13.971 ( 0.009 -0.016 -13.193) 13.193 14.063 ( 3.280 -5.680 7.605) 10.043 14.221 ( 2.737 -4.741 -9.384) 10.864 15.113 ( 0.315 -0.545 9.841) 9.861 15.234 ( 2.113 -3.660 8.635) 9.614 15.249 ( -0.165 0.286 -4.894) 4.905 15.353 ( 1.401 -2.426 -4.652) 5.430 15.713 ( 0.639 -1.106 11.211) 11.283 15.893 ( -0.881 1.526 -8.334) 8.518 16.484 ( -0.787 1.364 7.053) 7.227 16.541 ( 0.442 -0.766 6.398) 6.459 16.620 ( -0.633 1.096 -7.496) 7.602 16.659 ( 0.646 -1.119 -6.222) 6.355======================= Grid point 253 (42/42) =======================q-point: ( 0.30 0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.111 ( 8.238 14.269 15.916) 22.909 3.341 ( 4.467 7.737 3.445) 9.575 3.390 ( 2.385 4.131 1.031) 4.881 3.398 ( 5.547 9.608 -14.901) 18.578 3.485 ( -4.117 -7.131 3.700) 9.027 3.629 ( -4.229 -7.325 -8.506) 11.995 3.902 ( 1.740 3.013 4.373) 5.589 3.965 ( 2.629 4.554 -2.529) 5.835 4.227 ( -2.152 -3.727 3.612) 5.619 4.277 ( -5.128 -8.882 1.425) 10.354 4.307 ( -1.649 -2.857 -5.216) 6.172 4.323 ( -3.232 -5.598 -3.661) 7.429 4.824 ( 0.436 0.755 6.444) 6.503 4.890 ( 0.182 0.316 -1.614) 1.655 4.912 ( -0.519 -0.898 -1.359) 1.710 4.929 ( -5.415 -9.379 7.731) 13.306 4.964 ( -0.289 -0.501 -5.471) 5.501 5.061 ( -4.883 -8.458 -6.800) 11.900 5.854 ( 0.627 1.086 10.969) 11.040 5.866 ( 0.045 0.078 11.633) 11.633 5.964 ( 2.547 4.411 14.184) 15.071 6.048 ( 2.005 3.473 -6.821) 7.912 6.085 ( 0.220 0.382 -12.163) 12.171 6.260 ( 4.171 7.224 -14.196) 16.465 6.362 ( 3.898 6.752 3.481) 8.539 6.452 ( 1.602 2.775 -6.200) 6.979 6.526 ( -2.692 -4.663 1.747) 5.661 6.554 ( -2.358 -4.085 -0.993) 4.820 6.744 ( -0.095 -0.165 6.975) 6.978 6.876 ( 1.066 1.846 -7.088) 7.402 7.565 ( 3.140 5.439 5.533) 8.370 7.627 ( 4.862 8.421 -1.459) 9.833 8.033 ( -2.891 -5.007 3.967) 7.012 8.113 ( -1.313 -2.274 -4.471) 5.185 8.126 ( -3.802 -6.585 4.968) 9.083 8.216 ( -3.219 -5.576 -4.645) 7.939 9.030 ( 0.365 0.632 6.307) 6.349 9.073 ( 0.012 0.021 7.774) 7.774 9.150 ( 0.912 1.580 -6.571) 6.820 9.223 ( -0.461 -0.798 -8.387) 8.438 9.259 ( 0.149 0.258 7.711) 7.717 9.419 ( 0.110 0.190 -9.498) 9.501 10.157 ( 0.297 0.514 3.064) 3.121 10.211 ( 0.221 0.383 -2.835) 2.869 10.229 ( -2.033 -3.520 3.141) 5.137 10.281 ( -2.092 -3.624 -2.584) 4.919 11.071 ( -2.213 -3.833 4.095) 6.030 11.149 ( -2.487 -4.308 -4.260) 6.549 11.714 ( 1.940 3.360 17.829) 18.246 12.033 ( 1.937 3.355 -16.345) 16.798 12.335 ( 2.486 4.305 22.874) 23.408 12.453 ( -3.371 -5.839 19.379) 20.518 12.697 ( 3.360 5.820 -2.959) 7.343 12.754 ( 2.076 3.596 -1.867) 4.553 12.807 ( 0.162 0.280 -19.879) 19.882 12.818 ( -0.516 -0.895 -19.697) 19.724 13.722 ( 5.291 9.165 12.035) 16.026 13.748 ( 2.630 4.555 14.110) 15.059 13.958 ( 4.217 7.304 -14.428) 16.712 14.001 ( -6.659 -11.533 8.643) 15.876 14.061 ( 2.534 4.389 -19.591) 20.235 14.172 ( -5.310 -9.197 -10.237) 14.751 15.108 ( 1.120 1.940 10.345) 10.585 15.191 ( -2.430 -4.210 9.244) 10.444 15.258 ( 0.919 1.592 -6.331) 6.593 15.318 ( -1.353 -2.344 -4.820) 5.528 15.704 ( -0.769 -1.332 13.595) 13.682 15.912 ( 0.208 0.360 -9.311) 9.321 16.506 ( 0.502 0.870 7.301) 7.370 16.525 ( -0.087 -0.151 5.841) 5.844 16.633 ( 0.487 0.843 -5.707) 5.789 16.645 ( -0.517 -0.896 -7.540) 7.610=================== 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 3/36000 10.0 454.602 454.602 328.658 0.000 0.000 0.000 3/36000 20.0 360.366 360.366 286.119 0.000 0.000 0.000 3/36000 30.0 197.034 197.034 157.392 0.000 0.000 0.000 3/36000 40.0 114.339 114.339 87.900 0.000 0.000 0.000 3/36000 50.0 75.192 75.192 55.741 0.000 0.000 0.000 3/36000 60.0 54.310 54.310 39.193 0.000 0.000 0.000 3/36000 70.0 41.818 41.818 29.659 0.000 0.000 0.000 3/36000 80.0 33.665 33.665 23.648 0.000 0.000 0.000 3/36000 90.0 27.996 27.996 19.586 0.000 0.000 0.000 3/36000 100.0 23.861 23.861 16.691 0.000 0.000 0.000 3/36000 110.0 20.736 20.736 14.540 0.000 0.000 0.000 3/36000 120.0 18.304 18.304 12.888 0.000 0.000 0.000 3/36000 130.0 16.366 16.366 11.582 0.000 0.000 0.000 3/36000 140.0 14.792 14.792 10.526 0.000 0.000 0.000 3/36000 150.0 13.491 13.491 9.656 0.000 0.000 0.000 3/36000 160.0 12.400 12.400 8.926 0.000 0.000 0.000 3/36000 170.0 11.473 11.473 8.305 0.000 0.000 0.000 3/36000 180.0 10.677 10.677 7.770 0.000 0.000 0.000 3/36000 190.0 9.985 9.985 7.304 0.000 0.000 0.000 3/36000 200.0 9.380 9.380 6.894 0.000 0.000 0.000 3/36000 210.0 8.846 8.846 6.531 0.000 0.000 0.000 3/36000 220.0 8.370 8.370 6.206 0.000 0.000 0.000 3/36000 230.0 7.945 7.945 5.914 0.000 0.000 0.000 3/36000 240.0 7.562 7.562 5.649 0.000 0.000 0.000 3/36000 250.0 7.216 7.216 5.408 0.000 0.000 0.000 3/36000 260.0 6.901 6.901 5.188 0.000 0.000 0.000 3/36000 270.0 6.613 6.613 4.986 0.000 0.000 0.000 3/36000 280.0 6.348 6.348 4.799 0.000 0.000 0.000 3/36000 290.0 6.105 6.105 4.627 0.000 0.000 0.000 3/36000 300.0 5.881 5.881 4.467 0.000 0.000 0.000 3/36000 310.0 5.672 5.672 4.318 0.000 0.000 0.000 3/36000 320.0 5.479 5.479 4.179 0.000 0.000 0.000 3/36000 330.0 5.298 5.298 4.049 0.000 0.000 0.000 3/36000 340.0 5.130 5.130 3.926 0.000 0.000 0.000 3/36000 350.0 4.972 4.972 3.812 0.000 0.000 0.000 3/36000 360.0 4.824 4.824 3.704 0.000 0.000 0.000 3/36000 370.0 4.684 4.684 3.602 0.000 0.000 0.000 3/36000 380.0 4.553 4.553 3.505 0.000 0.000 0.000 3/36000 390.0 4.429 4.429 3.414 0.000 0.000 0.000 3/36000 400.0 4.312 4.312 3.327 0.000 0.000 0.000 3/36000 410.0 4.201 4.201 3.245 0.000 0.000 0.000 3/36000 420.0 4.095 4.095 3.167 0.000 0.000 0.000 3/36000 430.0 3.995 3.995 3.092 0.000 0.000 0.000 3/36000 440.0 3.900 3.900 3.021 0.000 0.000 0.000 3/36000 450.0 3.809 3.809 2.954 0.000 0.000 0.000 3/36000 460.0 3.723 3.723 2.889 0.000 0.000 0.000 3/36000 470.0 3.640 3.640 2.827 0.000 0.000 0.000 3/36000 480.0 3.561 3.561 2.767 0.000 0.000 0.000 3/36000 490.0 3.486 3.486 2.711 0.000 0.000 0.000 3/36000 500.0 3.414 3.414 2.656 0.000 0.000 0.000 3/36000 510.0 3.344 3.344 2.604 0.000 0.000 0.000 3/36000 520.0 3.278 3.278 2.553 0.000 0.000 0.000 3/36000 530.0 3.214 3.214 2.505 0.000 0.000 0.000 3/36000 540.0 3.152 3.152 2.458 0.000 0.000 0.000 3/36000 550.0 3.093 3.093 2.413 0.000 0.000 0.000 3/36000 560.0 3.036 3.036 2.370 0.000 0.000 0.000 3/36000 570.0 2.982 2.982 2.328 0.000 0.000 0.000 3/36000 580.0 2.929 2.929 2.288 0.000 0.000 0.000 3/36000 590.0 2.878 2.878 2.249 0.000 0.000 0.000 3/36000 600.0 2.829 2.829 2.212 0.000 0.000 0.000 3/36000 610.0 2.781 2.781 2.175 0.000 0.000 0.000 3/36000 620.0 2.735 2.735 2.140 0.000 0.000 0.000 3/36000 630.0 2.691 2.691 2.106 0.000 0.000 0.000 3/36000 640.0 2.648 2.648 2.073 0.000 0.000 0.000 3/36000 650.0 2.606 2.606 2.041 0.000 0.000 0.000 3/36000 660.0 2.566 2.566 2.010 0.000 0.000 0.000 3/36000 670.0 2.527 2.527 1.980 0.000 0.000 0.000 3/36000 680.0 2.489 2.489 1.951 0.000 0.000 0.000 3/36000 690.0 2.452 2.452 1.923 0.000 0.000 0.000 3/36000 700.0 2.417 2.417 1.895 0.000 0.000 0.000 3/36000 710.0 2.382 2.382 1.868 0.000 0.000 0.000 3/36000 720.0 2.348 2.348 1.842 0.000 0.000 0.000 3/36000 730.0 2.316 2.316 1.817 0.000 0.000 0.000 3/36000 740.0 2.284 2.284 1.793 0.000 0.000 0.000 3/36000 750.0 2.253 2.253 1.769 0.000 0.000 0.000 3/36000 760.0 2.223 2.223 1.745 0.000 0.000 0.000 3/36000 770.0 2.194 2.194 1.723 0.000 0.000 0.000 3/36000 780.0 2.165 2.165 1.701 0.000 0.000 0.000 3/36000 790.0 2.137 2.137 1.679 0.000 0.000 0.000 3/36000 800.0 2.110 2.110 1.658 0.000 0.000 0.000 3/36000 810.0 2.084 2.084 1.638 0.000 0.000 0.000 3/36000 820.0 2.058 2.058 1.618 0.000 0.000 0.000 3/36000 830.0 2.033 2.033 1.598 0.000 0.000 0.000 3/36000 840.0 2.008 2.008 1.579 0.000 0.000 0.000 3/36000 850.0 1.984 1.984 1.561 0.000 0.000 0.000 3/36000 860.0 1.961 1.961 1.542 0.000 0.000 0.000 3/36000 870.0 1.938 1.938 1.525 0.000 0.000 0.000 3/36000 880.0 1.916 1.916 1.507 0.000 0.000 0.000 3/36000 890.0 1.894 1.894 1.490 0.000 0.000 0.000 3/36000 900.0 1.873 1.873 1.474 0.000 0.000 0.000 3/36000 910.0 1.852 1.852 1.458 0.000 0.000 0.000 3/36000 920.0 1.832 1.832 1.442 0.000 0.000 0.000 3/36000 930.0 1.812 1.812 1.426 0.000 0.000 0.000 3/36000 940.0 1.793 1.793 1.411 0.000 0.000 0.000 3/36000 950.0 1.774 1.774 1.396 0.000 0.000 0.000 3/36000 960.0 1.755 1.755 1.382 0.000 0.000 0.000 3/36000 970.0 1.737 1.737 1.368 0.000 0.000 0.000 3/36000 980.0 1.719 1.719 1.354 0.000 0.000 0.000 3/36000 990.0 1.701 1.701 1.340 0.000 0.000 0.000 3/36000 1000.0 1.684 1.684 1.327 0.000 0.000 0.000 3/36000Thermal conductivity related properties were written into "kappa-m10105.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 23:45:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|