# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/4aaa1f19-57a0-468d-9d3d-8272992b3e57/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 K2PbO3 / Pnma (62) / materials id 504935](https://mdr.nims.go.jp/datasets/62f11a9e-8a0a-4b66-9dee-df3d78faa517) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 09:36:03]-------------------------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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 6.026350489999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.645571020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.994692620000000Atomic positions (fractional): *1 Pb 0.73014743516179 0.75000000000000 0.84839352996353 207.200 2 Pb 0.23014743516179 0.75000000000000 0.65160647003647 207.200 3 Pb 0.76985256483821 0.25000000000000 0.34839352996353 207.200 4 Pb 0.26985256483821 0.25000000000000 0.15160647003648 207.200 *5 K 0.76784122288584 0.58606071314196 0.38829276213381 39.098 6 K 0.26784122288584 0.91393928685804 0.11170723786619 39.098 7 K 0.73215877711416 0.41393928685804 0.88829276213381 39.098 8 K 0.23215877711416 0.08606071314196 0.61170723786619 39.098 9 K 0.23215877711416 0.41393928685804 0.61170723786619 39.098 10 K 0.73215877711416 0.08606071314196 0.88829276213381 39.098 11 K 0.26784122288584 0.58606071314196 0.11170723786619 39.098 12 K 0.76784122288584 0.91393928685804 0.38829276213381 39.098 *13 O 0.99336504943625 0.61609760126137 0.78190296374884 15.999 14 O 0.49336504943625 0.88390239873863 0.71809703625116 15.999 15 O 0.50663495056375 0.38390239873863 0.28190296374884 15.999 16 O 0.00663495056375 0.11609760126137 0.21809703625116 15.999 17 O 0.00663495056375 0.38390239873863 0.21809703625116 15.999 18 O 0.50663495056375 0.11609760126137 0.28190296374884 15.999 19 O 0.49336504943625 0.61609760126137 0.71809703625116 15.999 20 O 0.99336504943625 0.88390239873863 0.78190296374884 15.999 *21 O 0.12502774828160 0.75000000000000 0.37489687675366 15.999 22 O 0.62502774828160 0.75000000000000 0.12510312324634 15.999 23 O 0.37497225171840 0.25000000000000 0.87489687675366 15.999 24 O 0.87497225171840 0.25000000000000 0.62510312324634 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.026350489999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.645571020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.994692620000000Atomic positions (fractional): *1 Pb 0.73014743516179 0.75000000000000 0.84839352996353 207.200 > 1 2 Pb 0.23014743516179 0.75000000000000 0.65160647003647 207.200 > 2 3 Pb 0.76985256483821 0.25000000000000 0.34839352996353 207.200 > 3 4 Pb 0.26985256483821 0.25000000000000 0.15160647003648 207.200 > 4 *5 K 0.76784122288584 0.58606071314196 0.38829276213381 39.098 > 5 6 K 0.26784122288584 0.91393928685804 0.11170723786619 39.098 > 6 7 K 0.73215877711416 0.41393928685804 0.88829276213381 39.098 > 7 8 K 0.23215877711416 0.08606071314196 0.61170723786619 39.098 > 8 9 K 0.23215877711416 0.41393928685804 0.61170723786619 39.098 > 9 10 K 0.73215877711416 0.08606071314196 0.88829276213381 39.098 > 10 11 K 0.26784122288584 0.58606071314196 0.11170723786619 39.098 > 11 12 K 0.76784122288584 0.91393928685804 0.38829276213381 39.098 > 12 *13 O 0.99336504943625 0.61609760126137 0.78190296374884 15.999 > 13 14 O 0.49336504943625 0.88390239873863 0.71809703625116 15.999 > 14 15 O 0.50663495056375 0.38390239873863 0.28190296374884 15.999 > 15 16 O 0.00663495056375 0.11609760126137 0.21809703625116 15.999 > 16 17 O 0.00663495056375 0.38390239873863 0.21809703625116 15.999 > 17 18 O 0.50663495056375 0.11609760126137 0.28190296374884 15.999 > 18 19 O 0.49336504943625 0.61609760126137 0.71809703625116 15.999 > 19 20 O 0.99336504943625 0.88390239873863 0.78190296374884 15.999 > 20 *21 O 0.12502774828160 0.75000000000000 0.37489687675366 15.999 > 21 22 O 0.62502774828160 0.75000000000000 0.12510312324634 15.999 > 22 23 O 0.37497225171840 0.25000000000000 0.87489687675366 15.999 > 23 24 O 0.87497225171840 0.25000000000000 0.62510312324634 15.999 > 24-------------------------------- super cell --------------------------------Lattice vectors: a 12.052700979999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.645571020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.989385240000001Atomic positions (fractional): *1 Pb 0.36507371758090 0.75000000000000 0.42419676498176 207.200 > 1 2 Pb 0.86507371758090 0.75000000000000 0.42419676498176 207.200 > 1 3 Pb 0.36507371758090 0.75000000000000 0.92419676498176 207.200 > 1 4 Pb 0.86507371758090 0.75000000000000 0.92419676498176 207.200 > 1 5 Pb 0.11507371758090 0.75000000000000 0.32580323501824 207.200 > 2 6 Pb 0.61507371758090 0.75000000000000 0.32580323501824 207.200 > 2 7 Pb 0.11507371758090 0.75000000000000 0.82580323501824 207.200 > 2 8 Pb 0.61507371758090 0.75000000000000 0.82580323501824 207.200 > 2 9 Pb 0.38492628241910 0.25000000000000 0.17419676498176 207.200 > 3 10 Pb 0.88492628241910 0.25000000000000 0.17419676498176 207.200 > 3 11 Pb 0.38492628241910 0.25000000000000 0.67419676498176 207.200 > 3 12 Pb 0.88492628241910 0.25000000000000 0.67419676498176 207.200 > 3 13 Pb 0.13492628241910 0.25000000000000 0.07580323501824 207.200 > 4 14 Pb 0.63492628241910 0.25000000000000 0.07580323501824 207.200 > 4 15 Pb 0.13492628241910 0.25000000000000 0.57580323501824 207.200 > 4 16 Pb 0.63492628241910 0.25000000000000 0.57580323501824 207.200 > 4 *17 K 0.38392061144292 0.58606071314196 0.19414638106691 39.098 > 5 18 K 0.88392061144292 0.58606071314196 0.19414638106691 39.098 > 5 19 K 0.38392061144292 0.58606071314196 0.69414638106691 39.098 > 5 20 K 0.88392061144292 0.58606071314196 0.69414638106691 39.098 > 5 21 K 0.13392061144292 0.91393928685804 0.05585361893309 39.098 > 6 22 K 0.63392061144292 0.91393928685804 0.05585361893309 39.098 > 6 23 K 0.13392061144292 0.91393928685804 0.55585361893309 39.098 > 6 24 K 0.63392061144292 0.91393928685804 0.55585361893309 39.098 > 6 25 K 0.36607938855708 0.41393928685804 0.44414638106691 39.098 > 7 26 K 0.86607938855708 0.41393928685804 0.44414638106691 39.098 > 7 27 K 0.36607938855708 0.41393928685804 0.94414638106691 39.098 > 7 28 K 0.86607938855708 0.41393928685804 0.94414638106691 39.098 > 7 29 K 0.11607938855708 0.08606071314196 0.30585361893309 39.098 > 8 30 K 0.61607938855708 0.08606071314196 0.30585361893309 39.098 > 8 31 K 0.11607938855708 0.08606071314196 0.80585361893309 39.098 > 8 32 K 0.61607938855708 0.08606071314196 0.80585361893309 39.098 > 8 33 K 0.11607938855708 0.41393928685804 0.30585361893309 39.098 > 9 34 K 0.61607938855708 0.41393928685804 0.30585361893309 39.098 > 9 35 K 0.11607938855708 0.41393928685804 0.80585361893309 39.098 > 9 36 K 0.61607938855708 0.41393928685804 0.80585361893309 39.098 > 9 37 K 0.36607938855708 0.08606071314196 0.44414638106691 39.098 > 10 38 K 0.86607938855708 0.08606071314196 0.44414638106691 39.098 > 10 39 K 0.36607938855708 0.08606071314196 0.94414638106691 39.098 > 10 40 K 0.86607938855708 0.08606071314196 0.94414638106691 39.098 > 10 41 K 0.13392061144292 0.58606071314196 0.05585361893309 39.098 > 11 42 K 0.63392061144292 0.58606071314196 0.05585361893309 39.098 > 11 43 K 0.13392061144292 0.58606071314196 0.55585361893309 39.098 > 11 44 K 0.63392061144292 0.58606071314196 0.55585361893309 39.098 > 11 45 K 0.38392061144292 0.91393928685804 0.19414638106691 39.098 > 12 46 K 0.88392061144292 0.91393928685804 0.19414638106691 39.098 > 12 47 K 0.38392061144292 0.91393928685804 0.69414638106691 39.098 > 12 48 K 0.88392061144292 0.91393928685804 0.69414638106691 39.098 > 12 *49 O 0.49668252471813 0.61609760126137 0.39095148187442 15.999 > 13 50 O 0.99668252471813 0.61609760126137 0.39095148187442 15.999 > 13 51 O 0.49668252471813 0.61609760126137 0.89095148187442 15.999 > 13 52 O 0.99668252471813 0.61609760126137 0.89095148187442 15.999 > 13 53 O 0.24668252471813 0.88390239873863 0.35904851812558 15.999 > 14 54 O 0.74668252471813 0.88390239873863 0.35904851812558 15.999 > 14 55 O 0.24668252471813 0.88390239873863 0.85904851812558 15.999 > 14 56 O 0.74668252471813 0.88390239873863 0.85904851812558 15.999 > 14 57 O 0.25331747528187 0.38390239873863 0.14095148187442 15.999 > 15 58 O 0.75331747528187 0.38390239873863 0.14095148187442 15.999 > 15 59 O 0.25331747528187 0.38390239873863 0.64095148187442 15.999 > 15 60 O 0.75331747528187 0.38390239873863 0.64095148187442 15.999 > 15 61 O 0.00331747528187 0.11609760126137 0.10904851812558 15.999 > 16 62 O 0.50331747528187 0.11609760126137 0.10904851812558 15.999 > 16 63 O 0.00331747528187 0.11609760126137 0.60904851812558 15.999 > 16 64 O 0.50331747528187 0.11609760126137 0.60904851812558 15.999 > 16 65 O 0.00331747528187 0.38390239873863 0.10904851812558 15.999 > 17 66 O 0.50331747528187 0.38390239873863 0.10904851812558 15.999 > 17 67 O 0.00331747528187 0.38390239873863 0.60904851812558 15.999 > 17 68 O 0.50331747528187 0.38390239873863 0.60904851812558 15.999 > 17 69 O 0.25331747528187 0.11609760126137 0.14095148187442 15.999 > 18 70 O 0.75331747528187 0.11609760126137 0.14095148187442 15.999 > 18 71 O 0.25331747528187 0.11609760126137 0.64095148187442 15.999 > 18 72 O 0.75331747528187 0.11609760126137 0.64095148187442 15.999 > 18 73 O 0.24668252471813 0.61609760126137 0.35904851812558 15.999 > 19 74 O 0.74668252471813 0.61609760126137 0.35904851812558 15.999 > 19 75 O 0.24668252471813 0.61609760126137 0.85904851812558 15.999 > 19 76 O 0.74668252471813 0.61609760126137 0.85904851812558 15.999 > 19 77 O 0.49668252471813 0.88390239873863 0.39095148187442 15.999 > 20 78 O 0.99668252471813 0.88390239873863 0.39095148187442 15.999 > 20 79 O 0.49668252471813 0.88390239873863 0.89095148187442 15.999 > 20 80 O 0.99668252471813 0.88390239873863 0.89095148187442 15.999 > 20 *81 O 0.06251387414080 0.75000000000000 0.18744843837683 15.999 > 21 82 O 0.56251387414080 0.75000000000000 0.18744843837683 15.999 > 21 83 O 0.06251387414080 0.75000000000000 0.68744843837683 15.999 > 21 84 O 0.56251387414080 0.75000000000000 0.68744843837683 15.999 > 21 85 O 0.31251387414080 0.75000000000000 0.06255156162317 15.999 > 22 86 O 0.81251387414080 0.75000000000000 0.06255156162317 15.999 > 22 87 O 0.31251387414080 0.75000000000000 0.56255156162317 15.999 > 22 88 O 0.81251387414080 0.75000000000000 0.56255156162317 15.999 > 22 89 O 0.18748612585920 0.25000000000000 0.43744843837683 15.999 > 23 90 O 0.68748612585920 0.25000000000000 0.43744843837683 15.999 > 23 91 O 0.18748612585920 0.25000000000000 0.93744843837683 15.999 > 23 92 O 0.68748612585920 0.25000000000000 0.93744843837683 15.999 > 23 93 O 0.43748612585920 0.25000000000000 0.31255156162317 15.999 > 24 94 O 0.93748612585920 0.25000000000000 0.31255156162317 15.999 > 24 95 O 0.43748612585920 0.25000000000000 0.81255156162317 15.999 > 24 96 O 0.93748612585920 0.25000000000000 0.81255156162317 15.999 > 24----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.6642471 0.0000000 0.0000000 0.0000000 3.2793034 0.0000000 0.0000000 0.0000000 3.5222343-------------------------- Born effective charges -------------------------- 1 Pb 4.5096137 0.0000000 0.4705409 0.0000000 2.0931318 0.0000000 -0.0959277 0.0000000 2.8037502 2 Pb 4.5096137 0.0000000 -0.4705409 0.0000000 2.0931318 0.0000000 0.0959277 0.0000000 2.8037502 3 Pb 4.5096137 0.0000000 -0.4705409 0.0000000 2.0931318 0.0000000 0.0959277 0.0000000 2.8037502 4 Pb 4.5096137 0.0000000 0.4705409 0.0000000 2.0931318 0.0000000 -0.0959277 0.0000000 2.8037502 5 K 1.1169230 0.0587013 -0.0966536 0.0521525 1.2952232 0.1623941 0.1340933 0.0461846 1.1951701 6 K 1.1169230 -0.0587013 0.0966536 -0.0521525 1.2952232 0.1623941 -0.1340933 0.0461846 1.1951701 7 K 1.1169230 0.0587013 0.0966536 0.0521525 1.2952232 -0.1623941 -0.1340933 -0.0461846 1.1951701 8 K 1.1169230 -0.0587013 -0.0966536 -0.0521525 1.2952232 -0.1623941 0.1340933 -0.0461846 1.1951701 9 K 1.1169230 0.0587013 -0.0966536 0.0521525 1.2952232 0.1623941 0.1340933 0.0461846 1.1951701 10 K 1.1169230 -0.0587013 0.0966536 -0.0521525 1.2952232 0.1623941 -0.1340933 0.0461846 1.1951701 11 K 1.1169230 0.0587013 0.0966536 0.0521525 1.2952232 -0.1623941 -0.1340933 -0.0461846 1.1951701 12 K 1.1169230 -0.0587013 -0.0966536 -0.0521525 1.2952232 -0.1623941 0.1340933 -0.0461846 1.1951701 13 O -2.5927373 0.0548267 0.5064452 0.0599726 -1.6477504 0.0971052 0.3295157 0.1046782 -1.4386969 14 O -2.5927373 -0.0548267 -0.5064452 -0.0599726 -1.6477504 0.0971052 -0.3295157 0.1046782 -1.4386969 15 O -2.5927373 0.0548267 -0.5064452 0.0599726 -1.6477504 -0.0971052 -0.3295157 -0.1046782 -1.4386969 16 O -2.5927373 -0.0548267 0.5064452 -0.0599726 -1.6477504 -0.0971052 0.3295157 -0.1046782 -1.4386969 17 O -2.5927373 0.0548267 0.5064452 0.0599726 -1.6477504 0.0971052 0.3295157 0.1046782 -1.4386969 18 O -2.5927373 -0.0548267 -0.5064452 -0.0599726 -1.6477504 0.0971052 -0.3295157 0.1046782 -1.4386969 19 O -2.5927373 0.0548267 -0.5064452 0.0599726 -1.6477504 -0.0971052 -0.3295157 -0.1046782 -1.4386969 20 O -2.5927373 -0.0548267 0.5064452 -0.0599726 -1.6477504 -0.0971052 0.3295157 -0.1046782 -1.4386969 21 O -1.5579851 0.0000000 0.1684833 0.0000000 -1.3880773 0.0000000 -0.1438007 0.0000000 -2.3166966 22 O -1.5579851 0.0000000 -0.1684833 0.0000000 -1.3880773 0.0000000 0.1438007 0.0000000 -2.3166966 23 O -1.5579851 0.0000000 -0.1684833 0.0000000 -1.3880773 0.0000000 0.1438007 0.0000000 -2.3166966 24 O -1.5579851 0.0000000 0.1684833 0.0000000 -1.3880773 0.0000000 -0.1438007 0.0000000 -2.3166966----------------------------------------------------------------------------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: 1384Number of blocks in projector: 1384Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 184Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 184Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 184Use standard eigh solver.Tree of FC basis block matrices:- (1384, 1356), data: False|-- (184, 180), data: True|-- (184, 180), data: True|-- (184, 180), data: True|-- (256, 252), data: True|-- (256, 252), data: True|-- (320, 312), data: True-----Solver_atoms: 1 -- 96 / 96Time (Solver_compr_matrix_reshape): 0.006Solver_block: 100 / 400 - Time: 1.651Solver_block: 200 / 400 - Time: 1.627Solver_block: 300 / 400 - Time: 1.611Solver_block: 400 / 400 - Time: 1.610Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.598--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288Permutation basis: 10656/10656Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1384Number of blocks in projector: 1384Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 320Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 184Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 184Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 184Use standard eigh solver.Tree of FC basis block matrices:- (1384, 1356), data: False|-- (184, 180), data: True|-- (184, 180), data: True|-- (184, 180), data: True|-- (256, 252), data: True|-- (256, 252), data: True|-- (320, 312), 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 09:36:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 09:36:30]-------------------------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 1 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.026350489999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.645571020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.994692620000000Atomic positions (fractional): 1 Pb 0.73014743516179 0.75000000000000 0.84839352996353 207.200 2 Pb 0.23014743516179 0.75000000000000 0.65160647003647 207.200 3 Pb 0.76985256483821 0.25000000000000 0.34839352996353 207.200 4 Pb 0.26985256483821 0.25000000000000 0.15160647003648 207.200 5 K 0.76784122288584 0.58606071314196 0.38829276213381 39.098 6 K 0.26784122288584 0.91393928685804 0.11170723786619 39.098 7 K 0.73215877711416 0.41393928685804 0.88829276213381 39.098 8 K 0.23215877711416 0.08606071314196 0.61170723786619 39.098 9 K 0.23215877711416 0.41393928685804 0.61170723786619 39.098 10 K 0.73215877711416 0.08606071314196 0.88829276213381 39.098 11 K 0.26784122288584 0.58606071314196 0.11170723786619 39.098 12 K 0.76784122288584 0.91393928685804 0.38829276213381 39.098 13 O 0.99336504943625 0.61609760126137 0.78190296374884 15.999 14 O 0.49336504943625 0.88390239873863 0.71809703625116 15.999 15 O 0.50663495056375 0.38390239873863 0.28190296374884 15.999 16 O 0.00663495056375 0.11609760126137 0.21809703625116 15.999 17 O 0.00663495056375 0.38390239873863 0.21809703625116 15.999 18 O 0.50663495056375 0.11609760126137 0.28190296374884 15.999 19 O 0.49336504943625 0.61609760126137 0.71809703625116 15.999 20 O 0.99336504943625 0.88390239873863 0.78190296374884 15.999 21 O 0.12502774828160 0.75000000000000 0.37489687675366 15.999 22 O 0.62502774828160 0.75000000000000 0.12510312324634 15.999 23 O 0.37497225171840 0.25000000000000 0.87489687675366 15.999 24 O 0.87497225171840 0.25000000000000 0.62510312324634 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 12.052700979999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.645571020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.989385240000001Atomic positions (fractional): 1 Pb 0.36507371758090 0.75000000000000 0.42419676498176 207.200 > 1 2 Pb 0.86507371758090 0.75000000000000 0.42419676498176 207.200 > 1 3 Pb 0.36507371758090 0.75000000000000 0.92419676498176 207.200 > 1 4 Pb 0.86507371758090 0.75000000000000 0.92419676498176 207.200 > 1 5 Pb 0.11507371758090 0.75000000000000 0.32580323501824 207.200 > 5 6 Pb 0.61507371758090 0.75000000000000 0.32580323501824 207.200 > 5 7 Pb 0.11507371758090 0.75000000000000 0.82580323501824 207.200 > 5 8 Pb 0.61507371758090 0.75000000000000 0.82580323501824 207.200 > 5 9 Pb 0.38492628241910 0.25000000000000 0.17419676498176 207.200 > 9 10 Pb 0.88492628241910 0.25000000000000 0.17419676498176 207.200 > 9 11 Pb 0.38492628241910 0.25000000000000 0.67419676498176 207.200 > 9 12 Pb 0.88492628241910 0.25000000000000 0.67419676498176 207.200 > 9 13 Pb 0.13492628241910 0.25000000000000 0.07580323501824 207.200 > 13 14 Pb 0.63492628241910 0.25000000000000 0.07580323501824 207.200 > 13 15 Pb 0.13492628241910 0.25000000000000 0.57580323501824 207.200 > 13 16 Pb 0.63492628241910 0.25000000000000 0.57580323501824 207.200 > 13 17 K 0.38392061144292 0.58606071314196 0.19414638106691 39.098 > 17 18 K 0.88392061144292 0.58606071314196 0.19414638106691 39.098 > 17 19 K 0.38392061144292 0.58606071314196 0.69414638106691 39.098 > 17 20 K 0.88392061144292 0.58606071314196 0.69414638106691 39.098 > 17 21 K 0.13392061144292 0.91393928685804 0.05585361893309 39.098 > 21 22 K 0.63392061144292 0.91393928685804 0.05585361893309 39.098 > 21 23 K 0.13392061144292 0.91393928685804 0.55585361893309 39.098 > 21 24 K 0.63392061144292 0.91393928685804 0.55585361893309 39.098 > 21 25 K 0.36607938855708 0.41393928685804 0.44414638106691 39.098 > 25 26 K 0.86607938855708 0.41393928685804 0.44414638106691 39.098 > 25 27 K 0.36607938855708 0.41393928685804 0.94414638106691 39.098 > 25 28 K 0.86607938855708 0.41393928685804 0.94414638106691 39.098 > 25 29 K 0.11607938855708 0.08606071314196 0.30585361893309 39.098 > 29 30 K 0.61607938855708 0.08606071314196 0.30585361893309 39.098 > 29 31 K 0.11607938855708 0.08606071314196 0.80585361893309 39.098 > 29 32 K 0.61607938855708 0.08606071314196 0.80585361893309 39.098 > 29 33 K 0.11607938855708 0.41393928685804 0.30585361893309 39.098 > 33 34 K 0.61607938855708 0.41393928685804 0.30585361893309 39.098 > 33 35 K 0.11607938855708 0.41393928685804 0.80585361893309 39.098 > 33 36 K 0.61607938855708 0.41393928685804 0.80585361893309 39.098 > 33 37 K 0.36607938855708 0.08606071314196 0.44414638106691 39.098 > 37 38 K 0.86607938855708 0.08606071314196 0.44414638106691 39.098 > 37 39 K 0.36607938855708 0.08606071314196 0.94414638106691 39.098 > 37 40 K 0.86607938855708 0.08606071314196 0.94414638106691 39.098 > 37 41 K 0.13392061144292 0.58606071314196 0.05585361893309 39.098 > 41 42 K 0.63392061144292 0.58606071314196 0.05585361893309 39.098 > 41 43 K 0.13392061144292 0.58606071314196 0.55585361893309 39.098 > 41 44 K 0.63392061144292 0.58606071314196 0.55585361893309 39.098 > 41 45 K 0.38392061144292 0.91393928685804 0.19414638106691 39.098 > 45 46 K 0.88392061144292 0.91393928685804 0.19414638106691 39.098 > 45 47 K 0.38392061144292 0.91393928685804 0.69414638106691 39.098 > 45 48 K 0.88392061144292 0.91393928685804 0.69414638106691 39.098 > 45 49 O 0.49668252471813 0.61609760126137 0.39095148187442 15.999 > 49 50 O 0.99668252471813 0.61609760126137 0.39095148187442 15.999 > 49 51 O 0.49668252471813 0.61609760126137 0.89095148187442 15.999 > 49 52 O 0.99668252471813 0.61609760126137 0.89095148187442 15.999 > 49 53 O 0.24668252471813 0.88390239873863 0.35904851812558 15.999 > 53 54 O 0.74668252471813 0.88390239873863 0.35904851812558 15.999 > 53 55 O 0.24668252471813 0.88390239873863 0.85904851812558 15.999 > 53 56 O 0.74668252471813 0.88390239873863 0.85904851812558 15.999 > 53 57 O 0.25331747528187 0.38390239873863 0.14095148187442 15.999 > 57 58 O 0.75331747528187 0.38390239873863 0.14095148187442 15.999 > 57 59 O 0.25331747528187 0.38390239873863 0.64095148187442 15.999 > 57 60 O 0.75331747528187 0.38390239873863 0.64095148187442 15.999 > 57 61 O 0.00331747528187 0.11609760126137 0.10904851812558 15.999 > 61 62 O 0.50331747528187 0.11609760126137 0.10904851812558 15.999 > 61 63 O 0.00331747528187 0.11609760126137 0.60904851812558 15.999 > 61 64 O 0.50331747528187 0.11609760126137 0.60904851812558 15.999 > 61 65 O 0.00331747528187 0.38390239873863 0.10904851812558 15.999 > 65 66 O 0.50331747528187 0.38390239873863 0.10904851812558 15.999 > 65 67 O 0.00331747528187 0.38390239873863 0.60904851812558 15.999 > 65 68 O 0.50331747528187 0.38390239873863 0.60904851812558 15.999 > 65 69 O 0.25331747528187 0.11609760126137 0.14095148187442 15.999 > 69 70 O 0.75331747528187 0.11609760126137 0.14095148187442 15.999 > 69 71 O 0.25331747528187 0.11609760126137 0.64095148187442 15.999 > 69 72 O 0.75331747528187 0.11609760126137 0.64095148187442 15.999 > 69 73 O 0.24668252471813 0.61609760126137 0.35904851812558 15.999 > 73 74 O 0.74668252471813 0.61609760126137 0.35904851812558 15.999 > 73 75 O 0.24668252471813 0.61609760126137 0.85904851812558 15.999 > 73 76 O 0.74668252471813 0.61609760126137 0.85904851812558 15.999 > 73 77 O 0.49668252471813 0.88390239873863 0.39095148187442 15.999 > 77 78 O 0.99668252471813 0.88390239873863 0.39095148187442 15.999 > 77 79 O 0.49668252471813 0.88390239873863 0.89095148187442 15.999 > 77 80 O 0.99668252471813 0.88390239873863 0.89095148187442 15.999 > 77 81 O 0.06251387414080 0.75000000000000 0.18744843837683 15.999 > 81 82 O 0.56251387414080 0.75000000000000 0.18744843837683 15.999 > 81 83 O 0.06251387414080 0.75000000000000 0.68744843837683 15.999 > 81 84 O 0.56251387414080 0.75000000000000 0.68744843837683 15.999 > 81 85 O 0.31251387414080 0.75000000000000 0.06255156162317 15.999 > 85 86 O 0.81251387414080 0.75000000000000 0.06255156162317 15.999 > 85 87 O 0.31251387414080 0.75000000000000 0.56255156162317 15.999 > 85 88 O 0.81251387414080 0.75000000000000 0.56255156162317 15.999 > 85 89 O 0.18748612585920 0.25000000000000 0.43744843837683 15.999 > 89 90 O 0.68748612585920 0.25000000000000 0.43744843837683 15.999 > 89 91 O 0.18748612585920 0.25000000000000 0.93744843837683 15.999 > 89 92 O 0.68748612585920 0.25000000000000 0.93744843837683 15.999 > 89 93 O 0.43748612585920 0.25000000000000 0.31255156162317 15.999 > 93 94 O 0.93748612585920 0.25000000000000 0.31255156162317 15.999 > 93 95 O 0.43748612585920 0.25000000000000 0.81255156162317 15.999 > 93 96 O 0.93748612585920 0.25000000000000 0.81255156162317 15.999 > 93----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.6642471 0.0000000 0.0000000 0.0000000 3.2793034 0.0000000 0.0000000 0.0000000 3.5222343-------------------------- Born effective charges -------------------------- 1 Pb 4.5096137 0.0000000 0.4705409 0.0000000 2.0931318 0.0000000 -0.0959277 0.0000000 2.8037502 2 Pb 4.5096137 0.0000000 -0.4705409 0.0000000 2.0931318 0.0000000 0.0959277 0.0000000 2.8037502 3 Pb 4.5096137 0.0000000 -0.4705409 0.0000000 2.0931318 0.0000000 0.0959277 0.0000000 2.8037502 4 Pb 4.5096137 0.0000000 0.4705409 0.0000000 2.0931318 0.0000000 -0.0959277 0.0000000 2.8037502 5 K 1.1169230 0.0587013 -0.0966536 0.0521525 1.2952232 0.1623941 0.1340933 0.0461846 1.1951701 6 K 1.1169230 -0.0587013 0.0966536 -0.0521525 1.2952232 0.1623941 -0.1340933 0.0461846 1.1951701 7 K 1.1169230 0.0587013 0.0966536 0.0521525 1.2952232 -0.1623941 -0.1340933 -0.0461846 1.1951701 8 K 1.1169230 -0.0587013 -0.0966536 -0.0521525 1.2952232 -0.1623941 0.1340933 -0.0461846 1.1951701 9 K 1.1169230 0.0587013 -0.0966536 0.0521525 1.2952232 0.1623941 0.1340933 0.0461846 1.1951701 10 K 1.1169230 -0.0587013 0.0966536 -0.0521525 1.2952232 0.1623941 -0.1340933 0.0461846 1.1951701 11 K 1.1169230 0.0587013 0.0966536 0.0521525 1.2952232 -0.1623941 -0.1340933 -0.0461846 1.1951701 12 K 1.1169230 -0.0587013 -0.0966536 -0.0521525 1.2952232 -0.1623941 0.1340933 -0.0461846 1.1951701 13 O -2.5927373 0.0548267 0.5064452 0.0599726 -1.6477504 0.0971052 0.3295157 0.1046782 -1.4386969 14 O -2.5927373 -0.0548267 -0.5064452 -0.0599726 -1.6477504 0.0971052 -0.3295157 0.1046782 -1.4386969 15 O -2.5927373 0.0548267 -0.5064452 0.0599726 -1.6477504 -0.0971052 -0.3295157 -0.1046782 -1.4386969 16 O -2.5927373 -0.0548267 0.5064452 -0.0599726 -1.6477504 -0.0971052 0.3295157 -0.1046782 -1.4386969 17 O -2.5927373 0.0548267 0.5064452 0.0599726 -1.6477504 0.0971052 0.3295157 0.1046782 -1.4386969 18 O -2.5927373 -0.0548267 -0.5064452 -0.0599726 -1.6477504 0.0971052 -0.3295157 0.1046782 -1.4386969 19 O -2.5927373 0.0548267 -0.5064452 0.0599726 -1.6477504 -0.0971052 -0.3295157 -0.1046782 -1.4386969 20 O -2.5927373 -0.0548267 0.5064452 -0.0599726 -1.6477504 -0.0971052 0.3295157 -0.1046782 -1.4386969 21 O -1.5579851 0.0000000 0.1684833 0.0000000 -1.3880773 0.0000000 -0.1438007 0.0000000 -2.3166966 22 O -1.5579851 0.0000000 -0.1684833 0.0000000 -1.3880773 0.0000000 0.1438007 0.0000000 -2.3166966 23 O -1.5579851 0.0000000 -0.1684833 0.0000000 -1.3880773 0.0000000 0.1438007 0.0000000 -2.3166966 24 O -1.5579851 0.0000000 0.1684833 0.0000000 -1.3880773 0.0000000 -0.1438007 0.0000000 -2.3166966----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) 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 09:36:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 09:36:45]-------------------------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 1 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.026350489999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.645571020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.994692620000000Atomic positions (fractional): 1 Pb 0.73014743516179 0.75000000000000 0.84839352996353 207.200 2 Pb 0.23014743516179 0.75000000000000 0.65160647003647 207.200 3 Pb 0.76985256483821 0.25000000000000 0.34839352996353 207.200 4 Pb 0.26985256483821 0.25000000000000 0.15160647003648 207.200 5 K 0.76784122288584 0.58606071314196 0.38829276213381 39.098 6 K 0.26784122288584 0.91393928685804 0.11170723786619 39.098 7 K 0.73215877711416 0.41393928685804 0.88829276213381 39.098 8 K 0.23215877711416 0.08606071314196 0.61170723786619 39.098 9 K 0.23215877711416 0.41393928685804 0.61170723786619 39.098 10 K 0.73215877711416 0.08606071314196 0.88829276213381 39.098 11 K 0.26784122288584 0.58606071314196 0.11170723786619 39.098 12 K 0.76784122288584 0.91393928685804 0.38829276213381 39.098 13 O 0.99336504943625 0.61609760126137 0.78190296374884 15.999 14 O 0.49336504943625 0.88390239873863 0.71809703625116 15.999 15 O 0.50663495056375 0.38390239873863 0.28190296374884 15.999 16 O 0.00663495056375 0.11609760126137 0.21809703625116 15.999 17 O 0.00663495056375 0.38390239873863 0.21809703625116 15.999 18 O 0.50663495056375 0.11609760126137 0.28190296374884 15.999 19 O 0.49336504943625 0.61609760126137 0.71809703625116 15.999 20 O 0.99336504943625 0.88390239873863 0.78190296374884 15.999 21 O 0.12502774828160 0.75000000000000 0.37489687675366 15.999 22 O 0.62502774828160 0.75000000000000 0.12510312324634 15.999 23 O 0.37497225171840 0.25000000000000 0.87489687675366 15.999 24 O 0.87497225171840 0.25000000000000 0.62510312324634 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 12.052700979999997 0.000000000000000 0.000000000000000 b 0.000000000000000 10.645571020000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.989385240000001Atomic positions (fractional): 1 Pb 0.36507371758090 0.75000000000000 0.42419676498176 207.200 > 1 2 Pb 0.86507371758090 0.75000000000000 0.42419676498176 207.200 > 1 3 Pb 0.36507371758090 0.75000000000000 0.92419676498176 207.200 > 1 4 Pb 0.86507371758090 0.75000000000000 0.92419676498176 207.200 > 1 5 Pb 0.11507371758090 0.75000000000000 0.32580323501824 207.200 > 5 6 Pb 0.61507371758090 0.75000000000000 0.32580323501824 207.200 > 5 7 Pb 0.11507371758090 0.75000000000000 0.82580323501824 207.200 > 5 8 Pb 0.61507371758090 0.75000000000000 0.82580323501824 207.200 > 5 9 Pb 0.38492628241910 0.25000000000000 0.17419676498176 207.200 > 9 10 Pb 0.88492628241910 0.25000000000000 0.17419676498176 207.200 > 9 11 Pb 0.38492628241910 0.25000000000000 0.67419676498176 207.200 > 9 12 Pb 0.88492628241910 0.25000000000000 0.67419676498176 207.200 > 9 13 Pb 0.13492628241910 0.25000000000000 0.07580323501824 207.200 > 13 14 Pb 0.63492628241910 0.25000000000000 0.07580323501824 207.200 > 13 15 Pb 0.13492628241910 0.25000000000000 0.57580323501824 207.200 > 13 16 Pb 0.63492628241910 0.25000000000000 0.57580323501824 207.200 > 13 17 K 0.38392061144292 0.58606071314196 0.19414638106691 39.098 > 17 18 K 0.88392061144292 0.58606071314196 0.19414638106691 39.098 > 17 19 K 0.38392061144292 0.58606071314196 0.69414638106691 39.098 > 17 20 K 0.88392061144292 0.58606071314196 0.69414638106691 39.098 > 17 21 K 0.13392061144292 0.91393928685804 0.05585361893309 39.098 > 21 22 K 0.63392061144292 0.91393928685804 0.05585361893309 39.098 > 21 23 K 0.13392061144292 0.91393928685804 0.55585361893309 39.098 > 21 24 K 0.63392061144292 0.91393928685804 0.55585361893309 39.098 > 21 25 K 0.36607938855708 0.41393928685804 0.44414638106691 39.098 > 25 26 K 0.86607938855708 0.41393928685804 0.44414638106691 39.098 > 25 27 K 0.36607938855708 0.41393928685804 0.94414638106691 39.098 > 25 28 K 0.86607938855708 0.41393928685804 0.94414638106691 39.098 > 25 29 K 0.11607938855708 0.08606071314196 0.30585361893309 39.098 > 29 30 K 0.61607938855708 0.08606071314196 0.30585361893309 39.098 > 29 31 K 0.11607938855708 0.08606071314196 0.80585361893309 39.098 > 29 32 K 0.61607938855708 0.08606071314196 0.80585361893309 39.098 > 29 33 K 0.11607938855708 0.41393928685804 0.30585361893309 39.098 > 33 34 K 0.61607938855708 0.41393928685804 0.30585361893309 39.098 > 33 35 K 0.11607938855708 0.41393928685804 0.80585361893309 39.098 > 33 36 K 0.61607938855708 0.41393928685804 0.80585361893309 39.098 > 33 37 K 0.36607938855708 0.08606071314196 0.44414638106691 39.098 > 37 38 K 0.86607938855708 0.08606071314196 0.44414638106691 39.098 > 37 39 K 0.36607938855708 0.08606071314196 0.94414638106691 39.098 > 37 40 K 0.86607938855708 0.08606071314196 0.94414638106691 39.098 > 37 41 K 0.13392061144292 0.58606071314196 0.05585361893309 39.098 > 41 42 K 0.63392061144292 0.58606071314196 0.05585361893309 39.098 > 41 43 K 0.13392061144292 0.58606071314196 0.55585361893309 39.098 > 41 44 K 0.63392061144292 0.58606071314196 0.55585361893309 39.098 > 41 45 K 0.38392061144292 0.91393928685804 0.19414638106691 39.098 > 45 46 K 0.88392061144292 0.91393928685804 0.19414638106691 39.098 > 45 47 K 0.38392061144292 0.91393928685804 0.69414638106691 39.098 > 45 48 K 0.88392061144292 0.91393928685804 0.69414638106691 39.098 > 45 49 O 0.49668252471813 0.61609760126137 0.39095148187442 15.999 > 49 50 O 0.99668252471813 0.61609760126137 0.39095148187442 15.999 > 49 51 O 0.49668252471813 0.61609760126137 0.89095148187442 15.999 > 49 52 O 0.99668252471813 0.61609760126137 0.89095148187442 15.999 > 49 53 O 0.24668252471813 0.88390239873863 0.35904851812558 15.999 > 53 54 O 0.74668252471813 0.88390239873863 0.35904851812558 15.999 > 53 55 O 0.24668252471813 0.88390239873863 0.85904851812558 15.999 > 53 56 O 0.74668252471813 0.88390239873863 0.85904851812558 15.999 > 53 57 O 0.25331747528187 0.38390239873863 0.14095148187442 15.999 > 57 58 O 0.75331747528187 0.38390239873863 0.14095148187442 15.999 > 57 59 O 0.25331747528187 0.38390239873863 0.64095148187442 15.999 > 57 60 O 0.75331747528187 0.38390239873863 0.64095148187442 15.999 > 57 61 O 0.00331747528187 0.11609760126137 0.10904851812558 15.999 > 61 62 O 0.50331747528187 0.11609760126137 0.10904851812558 15.999 > 61 63 O 0.00331747528187 0.11609760126137 0.60904851812558 15.999 > 61 64 O 0.50331747528187 0.11609760126137 0.60904851812558 15.999 > 61 65 O 0.00331747528187 0.38390239873863 0.10904851812558 15.999 > 65 66 O 0.50331747528187 0.38390239873863 0.10904851812558 15.999 > 65 67 O 0.00331747528187 0.38390239873863 0.60904851812558 15.999 > 65 68 O 0.50331747528187 0.38390239873863 0.60904851812558 15.999 > 65 69 O 0.25331747528187 0.11609760126137 0.14095148187442 15.999 > 69 70 O 0.75331747528187 0.11609760126137 0.14095148187442 15.999 > 69 71 O 0.25331747528187 0.11609760126137 0.64095148187442 15.999 > 69 72 O 0.75331747528187 0.11609760126137 0.64095148187442 15.999 > 69 73 O 0.24668252471813 0.61609760126137 0.35904851812558 15.999 > 73 74 O 0.74668252471813 0.61609760126137 0.35904851812558 15.999 > 73 75 O 0.24668252471813 0.61609760126137 0.85904851812558 15.999 > 73 76 O 0.74668252471813 0.61609760126137 0.85904851812558 15.999 > 73 77 O 0.49668252471813 0.88390239873863 0.39095148187442 15.999 > 77 78 O 0.99668252471813 0.88390239873863 0.39095148187442 15.999 > 77 79 O 0.49668252471813 0.88390239873863 0.89095148187442 15.999 > 77 80 O 0.99668252471813 0.88390239873863 0.89095148187442 15.999 > 77 81 O 0.06251387414080 0.75000000000000 0.18744843837683 15.999 > 81 82 O 0.56251387414080 0.75000000000000 0.18744843837683 15.999 > 81 83 O 0.06251387414080 0.75000000000000 0.68744843837683 15.999 > 81 84 O 0.56251387414080 0.75000000000000 0.68744843837683 15.999 > 81 85 O 0.31251387414080 0.75000000000000 0.06255156162317 15.999 > 85 86 O 0.81251387414080 0.75000000000000 0.06255156162317 15.999 > 85 87 O 0.31251387414080 0.75000000000000 0.56255156162317 15.999 > 85 88 O 0.81251387414080 0.75000000000000 0.56255156162317 15.999 > 85 89 O 0.18748612585920 0.25000000000000 0.43744843837683 15.999 > 89 90 O 0.68748612585920 0.25000000000000 0.43744843837683 15.999 > 89 91 O 0.18748612585920 0.25000000000000 0.93744843837683 15.999 > 89 92 O 0.68748612585920 0.25000000000000 0.93744843837683 15.999 > 89 93 O 0.43748612585920 0.25000000000000 0.31255156162317 15.999 > 93 94 O 0.93748612585920 0.25000000000000 0.31255156162317 15.999 > 93 95 O 0.43748612585920 0.25000000000000 0.81255156162317 15.999 > 93 96 O 0.93748612585920 0.25000000000000 0.81255156162317 15.999 > 93----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.6642471 0.0000000 0.0000000 0.0000000 3.2793034 0.0000000 0.0000000 0.0000000 3.5222343-------------------------- Born effective charges -------------------------- 1 Pb 4.5096137 0.0000000 0.4705409 0.0000000 2.0931318 0.0000000 -0.0959277 0.0000000 2.8037502 2 Pb 4.5096137 0.0000000 -0.4705409 0.0000000 2.0931318 0.0000000 0.0959277 0.0000000 2.8037502 3 Pb 4.5096137 0.0000000 -0.4705409 0.0000000 2.0931318 0.0000000 0.0959277 0.0000000 2.8037502 4 Pb 4.5096137 0.0000000 0.4705409 0.0000000 2.0931318 0.0000000 -0.0959277 0.0000000 2.8037502 5 K 1.1169230 0.0587013 -0.0966536 0.0521525 1.2952232 0.1623941 0.1340933 0.0461846 1.1951701 6 K 1.1169230 -0.0587013 0.0966536 -0.0521525 1.2952232 0.1623941 -0.1340933 0.0461846 1.1951701 7 K 1.1169230 0.0587013 0.0966536 0.0521525 1.2952232 -0.1623941 -0.1340933 -0.0461846 1.1951701 8 K 1.1169230 -0.0587013 -0.0966536 -0.0521525 1.2952232 -0.1623941 0.1340933 -0.0461846 1.1951701 9 K 1.1169230 0.0587013 -0.0966536 0.0521525 1.2952232 0.1623941 0.1340933 0.0461846 1.1951701 10 K 1.1169230 -0.0587013 0.0966536 -0.0521525 1.2952232 0.1623941 -0.1340933 0.0461846 1.1951701 11 K 1.1169230 0.0587013 0.0966536 0.0521525 1.2952232 -0.1623941 -0.1340933 -0.0461846 1.1951701 12 K 1.1169230 -0.0587013 -0.0966536 -0.0521525 1.2952232 -0.1623941 0.1340933 -0.0461846 1.1951701 13 O -2.5927373 0.0548267 0.5064452 0.0599726 -1.6477504 0.0971052 0.3295157 0.1046782 -1.4386969 14 O -2.5927373 -0.0548267 -0.5064452 -0.0599726 -1.6477504 0.0971052 -0.3295157 0.1046782 -1.4386969 15 O -2.5927373 0.0548267 -0.5064452 0.0599726 -1.6477504 -0.0971052 -0.3295157 -0.1046782 -1.4386969 16 O -2.5927373 -0.0548267 0.5064452 -0.0599726 -1.6477504 -0.0971052 0.3295157 -0.1046782 -1.4386969 17 O -2.5927373 0.0548267 0.5064452 0.0599726 -1.6477504 0.0971052 0.3295157 0.1046782 -1.4386969 18 O -2.5927373 -0.0548267 -0.5064452 -0.0599726 -1.6477504 0.0971052 -0.3295157 0.1046782 -1.4386969 19 O -2.5927373 0.0548267 -0.5064452 0.0599726 -1.6477504 -0.0971052 -0.3295157 -0.1046782 -1.4386969 20 O -2.5927373 -0.0548267 0.5064452 -0.0599726 -1.6477504 -0.0971052 0.3295157 -0.1046782 -1.4386969 21 O -1.5579851 0.0000000 0.1684833 0.0000000 -1.3880773 0.0000000 -0.1438007 0.0000000 -2.3166966 22 O -1.5579851 0.0000000 -0.1684833 0.0000000 -1.3880773 0.0000000 0.1438007 0.0000000 -2.3166966 23 O -1.5579851 0.0000000 -0.1684833 0.0000000 -1.3880773 0.0000000 0.1438007 0.0000000 -2.3166966 24 O -1.5579851 0.0000000 0.1684833 0.0000000 -1.3880773 0.0000000 -0.1438007 0.0000000 -2.3166966----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 5 7 ]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: 0.54, Number of G-points: 303, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/60) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 60Calculating 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 1.280 ( 0.000 0.000 0.000) 0.000 1.384 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 2.049 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.741 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.110 ( 0.000 0.000 0.000) 0.000 3.228 ( 0.000 0.000 0.000) 0.000 3.369 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.845 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.226 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.234 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.803 ( 0.000 0.000 0.000) 0.000 6.817 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 7.396 ( 0.000 0.000 0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 8.253 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 10.717 ( 0.000 0.000 0.000) 0.000 10.721 ( 0.000 0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 12.170 ( 0.000 0.000 0.000) 0.000 13.183 ( 0.000 0.000 0.000) 0.000 13.298 ( 0.000 0.000 0.000) 0.000 13.411 ( 0.000 0.000 0.000) 0.000 13.531 ( 0.000 0.000 0.000) 0.000 13.654 ( 0.000 0.000 0.000) 0.000 14.265 ( 0.000 0.000 0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 14.553 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 16.840 ( 0.000 0.000 0.000) 0.000 16.868 ( 0.000 0.000 0.000) 0.000 17.321 ( 0.000 0.000 0.000) 0.000 17.480 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/60) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.318 ( 15.822 0.000 0.000) 15.822 0.431 ( 20.550 0.000 0.000) 20.550 0.984 ( 44.055 0.000 0.000) 44.055 1.418 ( 3.194 0.000 0.000) 3.194 1.531 ( 19.713 0.000 0.000) 19.713 1.742 ( 2.746 0.000 0.000) 2.746 2.165 ( -4.186 0.000 0.000) 4.186 2.188 ( 12.152 0.000 0.000) 12.152 2.280 ( -2.010 0.000 0.000) 2.010 2.447 ( -3.852 0.000 0.000) 3.852 2.523 ( -1.544 0.000 0.000) 1.544 2.575 ( -3.661 0.000 0.000) 3.661 2.607 ( -0.256 0.000 0.000) 0.256 2.720 ( -4.242 0.000 0.000) 4.242 2.963 ( -2.180 0.000 0.000) 2.180 2.964 ( -3.626 0.000 0.000) 3.626 3.035 ( -4.990 0.000 0.000) 4.990 3.137 ( 7.477 0.000 0.000) 7.477 3.312 ( -5.450 0.000 0.000) 5.450 3.435 ( 15.888 0.000 0.000) 15.888 3.552 ( -19.469 0.000 0.000) 19.469 3.646 ( -0.803 0.000 0.000) 0.803 3.714 ( 6.247 0.000 0.000) 6.247 3.852 ( 5.683 0.000 0.000) 5.683 3.883 ( -8.640 0.000 0.000) 8.640 3.986 ( 0.216 0.000 0.000) 0.216 4.090 ( -0.144 0.000 0.000) 0.144 4.236 ( -0.296 0.000 0.000) 0.296 4.267 ( 7.446 0.000 0.000) 7.446 4.316 ( 6.258 0.000 0.000) 6.258 4.343 ( 2.397 0.000 0.000) 2.397 4.378 ( 5.476 0.000 0.000) 5.476 4.537 ( 8.706 0.000 0.000) 8.706 4.570 ( 1.590 0.000 0.000) 1.590 4.918 ( 3.313 0.000 0.000) 3.313 4.937 ( -0.741 0.000 0.000) 0.741 4.979 ( -3.374 0.000 0.000) 3.374 5.106 ( -5.118 0.000 0.000) 5.118 5.143 ( -0.302 0.000 0.000) 0.302 5.229 ( 12.751 0.000 0.000) 12.751 5.304 ( -6.856 0.000 0.000) 6.856 5.415 ( -7.202 0.000 0.000) 7.202 6.432 ( -2.276 0.000 0.000) 2.276 6.749 ( -4.852 0.000 0.000) 4.852 6.801 ( -7.054 0.000 0.000) 7.054 6.812 ( -0.556 0.000 0.000) 0.556 6.844 ( 17.471 0.000 0.000) 17.471 6.908 ( -4.346 0.000 0.000) 4.346 7.255 ( -10.861 0.000 0.000) 10.861 7.727 ( 2.438 0.000 0.000) 2.438 7.915 ( 1.502 0.000 0.000) 1.502 8.213 ( -3.686 0.000 0.000) 3.686 9.165 ( 25.596 0.000 0.000) 25.596 9.292 ( 30.512 0.000 0.000) 30.512 10.583 ( 6.284 0.000 0.000) 6.284 10.990 ( 8.877 0.000 0.000) 8.877 11.038 ( 29.315 0.000 0.000) 29.315 12.126 ( -4.142 0.000 0.000) 4.142 13.118 ( -6.356 0.000 0.000) 6.356 13.237 ( -5.976 0.000 0.000) 5.976 13.442 ( 2.923 0.000 0.000) 2.923 13.551 ( 1.869 0.000 0.000) 1.869 13.561 ( -8.614 0.000 0.000) 8.614 13.949 ( 1.491 0.000 0.000) 1.491 14.244 ( -1.992 0.000 0.000) 1.992 14.434 ( -1.556 0.000 0.000) 1.556 14.561 ( 0.789 0.000 0.000) 0.789 14.685 ( -3.682 0.000 0.000) 3.682 16.859 ( 1.788 0.000 0.000) 1.788 16.889 ( 2.031 0.000 0.000) 2.031 17.303 ( -1.681 0.000 0.000) 1.681 17.489 ( -2.630 0.000 0.000) 2.630======================= Grid point 2 (3/60) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( 17.398 0.000 0.000) 17.398 0.847 ( 19.472 0.000 0.000) 19.472 1.508 ( 5.260 0.000 0.000) 5.260 1.676 ( 17.498 0.000 0.000) 17.498 1.825 ( 5.234 0.000 0.000) 5.234 1.858 ( 6.912 0.000 0.000) 6.912 2.033 ( -9.255 0.000 0.000) 9.255 2.237 ( -1.047 0.000 0.000) 1.047 2.467 ( -6.628 0.000 0.000) 6.628 2.472 ( 11.004 0.000 0.000) 11.004 2.494 ( 11.737 0.000 0.000) 11.737 2.561 ( 1.004 0.000 0.000) 1.004 2.588 ( 1.740 0.000 0.000) 1.740 2.691 ( 10.609 0.000 0.000) 10.609 2.861 ( -5.101 0.000 0.000) 5.101 2.903 ( -1.676 0.000 0.000) 1.676 2.924 ( -5.170 0.000 0.000) 5.170 3.119 ( -16.864 0.000 0.000) 16.864 3.173 ( -12.062 0.000 0.000) 12.062 3.359 ( 10.776 0.000 0.000) 10.776 3.530 ( -8.484 0.000 0.000) 8.484 3.752 ( -3.852 0.000 0.000) 3.852 3.817 ( 19.638 0.000 0.000) 19.638 3.923 ( 11.177 0.000 0.000) 11.177 3.992 ( 7.025 0.000 0.000) 7.025 4.030 ( 4.173 0.000 0.000) 4.173 4.039 ( -4.793 0.000 0.000) 4.793 4.210 ( -2.185 0.000 0.000) 2.185 4.367 ( 1.621 0.000 0.000) 1.621 4.378 ( 1.357 0.000 0.000) 1.357 4.431 ( 4.079 0.000 0.000) 4.079 4.498 ( 5.902 0.000 0.000) 5.902 4.634 ( 4.851 0.000 0.000) 4.851 4.702 ( 4.208 0.000 0.000) 4.208 4.855 ( -4.352 0.000 0.000) 4.352 4.916 ( -2.211 0.000 0.000) 2.211 4.962 ( -7.749 0.000 0.000) 7.749 5.106 ( -3.583 0.000 0.000) 3.583 5.112 ( 3.430 0.000 0.000) 3.430 5.224 ( -9.807 0.000 0.000) 9.807 5.226 ( 8.605 0.000 0.000) 8.605 5.529 ( 15.087 0.000 0.000) 15.087 6.375 ( -2.829 0.000 0.000) 2.829 6.620 ( -7.085 0.000 0.000) 7.085 6.629 ( -9.474 0.000 0.000) 9.474 6.737 ( -11.838 0.000 0.000) 11.838 6.793 ( -1.129 0.000 0.000) 1.129 7.034 ( -9.489 0.000 0.000) 9.489 7.220 ( 17.190 0.000 0.000) 17.190 7.794 ( 3.756 0.000 0.000) 3.756 7.947 ( 1.128 0.000 0.000) 1.128 8.108 ( -6.147 0.000 0.000) 6.147 9.875 ( 40.295 0.000 0.000) 40.295 10.040 ( 38.918 0.000 0.000) 38.918 10.764 ( 10.664 0.000 0.000) 10.664 11.231 ( 13.154 0.000 0.000) 13.154 11.819 ( 42.630 0.000 0.000) 42.630 12.007 ( -6.974 0.000 0.000) 6.974 12.915 ( -13.454 0.000 0.000) 13.454 13.051 ( -11.514 0.000 0.000) 11.514 13.320 ( -13.964 0.000 0.000) 13.964 13.522 ( 4.145 0.000 0.000) 4.145 13.603 ( 3.061 0.000 0.000) 3.061 13.976 ( 0.554 0.000 0.000) 0.554 14.183 ( -3.839 0.000 0.000) 3.839 14.367 ( -5.269 0.000 0.000) 5.269 14.582 ( 1.093 0.000 0.000) 1.093 14.607 ( -3.092 0.000 0.000) 3.092 16.912 ( 3.253 0.000 0.000) 3.253 16.952 ( 3.987 0.000 0.000) 3.987 17.252 ( -3.170 0.000 0.000) 3.170 17.412 ( -4.712 0.000 0.000) 4.712======================= Grid point 3 (4/60) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( 18.709 0.000 0.000) 18.709 1.230 ( 17.177 0.000 0.000) 17.177 1.627 ( 5.993 0.000 0.000) 5.993 1.749 ( -5.697 0.000 0.000) 5.697 1.775 ( -15.141 0.000 0.000) 15.141 1.851 ( -3.905 0.000 0.000) 3.905 1.954 ( 7.120 0.000 0.000) 7.120 2.245 ( -0.230 0.000 0.000) 0.230 2.321 ( -5.246 0.000 0.000) 5.246 2.463 ( -4.542 0.000 0.000) 4.542 2.501 ( -1.184 0.000 0.000) 1.184 2.700 ( 1.837 0.000 0.000) 1.837 2.767 ( -14.601 0.000 0.000) 14.601 2.782 ( -1.652 0.000 0.000) 1.652 2.831 ( -3.656 0.000 0.000) 3.656 2.835 ( 13.921 0.000 0.000) 13.921 2.953 ( -10.122 0.000 0.000) 10.122 3.106 ( 20.908 0.000 0.000) 20.908 3.197 ( 31.457 0.000 0.000) 31.457 3.332 ( -10.204 0.000 0.000) 10.204 3.538 ( 6.554 0.000 0.000) 6.554 3.696 ( -2.204 0.000 0.000) 2.204 3.868 ( -12.117 0.000 0.000) 12.117 4.101 ( 6.006 0.000 0.000) 6.006 4.123 ( 5.551 0.000 0.000) 5.551 4.133 ( -6.507 0.000 0.000) 6.507 4.137 ( 8.691 0.000 0.000) 8.691 4.215 ( 11.870 0.000 0.000) 11.870 4.335 ( -3.854 0.000 0.000) 3.854 4.392 ( -2.575 0.000 0.000) 2.575 4.510 ( 5.902 0.000 0.000) 5.902 4.589 ( -9.576 0.000 0.000) 9.576 4.602 ( 2.725 0.000 0.000) 2.725 4.755 ( 6.021 0.000 0.000) 6.021 4.774 ( -2.099 0.000 0.000) 2.099 4.882 ( -2.060 0.000 0.000) 2.060 4.884 ( -2.006 0.000 0.000) 2.006 4.987 ( -7.673 0.000 0.000) 7.673 5.079 ( -3.094 0.000 0.000) 3.094 5.080 ( -1.507 0.000 0.000) 1.507 5.594 ( 20.727 0.000 0.000) 20.727 5.844 ( 15.124 0.000 0.000) 15.124 6.334 ( -0.590 0.000 0.000) 0.590 6.401 ( -13.514 0.000 0.000) 13.514 6.438 ( -15.623 0.000 0.000) 15.623 6.474 ( -6.623 0.000 0.000) 6.623 6.775 ( -0.336 0.000 0.000) 0.336 6.875 ( -5.805 0.000 0.000) 5.805 7.532 ( 12.891 0.000 0.000) 12.891 7.873 ( 3.700 0.000 0.000) 3.700 7.927 ( -5.044 0.000 0.000) 5.044 7.989 ( -3.381 0.000 0.000) 3.381 10.708 ( 35.909 0.000 0.000) 35.909 10.817 ( 34.251 0.000 0.000) 34.251 10.998 ( 10.942 0.000 0.000) 10.942 11.462 ( 6.404 0.000 0.000) 6.404 11.874 ( -3.687 0.000 0.000) 3.687 12.540 ( -22.779 0.000 0.000) 22.779 12.679 ( 37.877 0.000 0.000) 37.877 12.814 ( -9.063 0.000 0.000) 9.063 13.014 ( -14.561 0.000 0.000) 14.561 13.554 ( -3.060 0.000 0.000) 3.060 13.694 ( 5.990 0.000 0.000) 5.990 13.947 ( -3.788 0.000 0.000) 3.788 14.105 ( -2.772 0.000 0.000) 2.772 14.219 ( -8.181 0.000 0.000) 8.181 14.576 ( -0.000 0.000 0.000) 0.000 14.598 ( 0.214 0.000 0.000) 0.214 16.991 ( 4.221 0.000 0.000) 4.221 17.051 ( 5.468 0.000 0.000) 5.468 17.175 ( -4.197 0.000 0.000) 4.197 17.300 ( -5.913 0.000 0.000) 5.913======================= Grid point 4 (5/60) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( -18.203 0.000 0.000) 18.203 1.425 ( 18.203 0.000 0.000) 18.203 1.546 ( -12.956 0.000 0.000) 12.956 1.546 ( 12.956 0.000 0.000) 12.956 1.750 ( -5.610 0.000 0.000) 5.610 1.750 ( 5.610 0.000 0.000) 5.610 2.115 ( -8.174 0.000 0.000) 8.174 2.115 ( 8.174 0.000 0.000) 8.174 2.361 ( -4.836 0.000 0.000) 4.836 2.361 ( 4.836 0.000 0.000) 4.836 2.547 ( -6.256 0.000 0.000) 6.256 2.547 ( 6.256 0.000 0.000) 6.256 2.775 ( -6.413 0.000 0.000) 6.413 2.775 ( 6.413 0.000 0.000) 6.413 2.777 ( -1.379 0.000 0.000) 1.379 2.777 ( 1.379 0.000 0.000) 1.379 3.106 ( -11.843 0.000 0.000) 11.843 3.106 ( 11.843 0.000 0.000) 11.843 3.539 ( -19.150 0.000 0.000) 19.150 3.539 ( 19.150 0.000 0.000) 19.150 3.641 ( -3.524 0.000 0.000) 3.524 3.641 ( 3.524 0.000 0.000) 3.524 3.815 ( -25.180 0.000 0.000) 25.180 3.815 ( 25.180 0.000 0.000) 25.180 4.205 ( -3.863 0.000 0.000) 3.863 4.205 ( 3.863 0.000 0.000) 3.863 4.237 ( -6.466 0.000 0.000) 6.466 4.237 ( 6.466 0.000 0.000) 6.466 4.295 ( -1.643 0.000 0.000) 1.643 4.295 ( 1.643 0.000 0.000) 1.643 4.573 ( -3.548 0.000 0.000) 3.548 4.573 ( 3.548 0.000 0.000) 3.548 4.731 ( -12.318 0.000 0.000) 12.318 4.731 ( 12.318 0.000 0.000) 12.318 4.810 ( -4.079 0.000 0.000) 4.079 4.810 ( 4.079 0.000 0.000) 4.079 4.863 ( -4.314 0.000 0.000) 4.314 4.863 ( 4.314 0.000 0.000) 4.314 5.064 ( -0.338 0.000 0.000) 0.338 5.064 ( 0.338 0.000 0.000) 0.338 6.027 ( -20.357 0.000 0.000) 20.357 6.027 ( 20.357 0.000 0.000) 20.357 6.148 ( -14.036 0.000 0.000) 14.036 6.148 ( 14.036 0.000 0.000) 14.036 6.364 ( -3.543 0.000 0.000) 3.543 6.364 ( 3.543 0.000 0.000) 3.543 6.792 ( -2.256 0.000 0.000) 2.256 6.792 ( 2.256 0.000 0.000) 2.256 7.763 ( -9.551 0.000 0.000) 9.551 7.763 ( 9.551 0.000 0.000) 9.551 7.940 ( -2.633 0.000 0.000) 2.633 7.940 ( 2.633 0.000 0.000) 2.633 11.134 ( -2.328 0.000 0.000) 2.328 11.134 ( 2.328 0.000 0.000) 2.328 11.371 ( -16.617 0.000 0.000) 16.617 11.371 ( 16.617 0.000 0.000) 16.617 12.036 ( -21.353 0.000 0.000) 21.353 12.036 ( 21.353 0.000 0.000) 21.353 12.776 ( -6.311 0.000 0.000) 6.311 12.776 ( 6.311 0.000 0.000) 6.311 13.312 ( -21.606 0.000 0.000) 21.606 13.312 ( 21.606 0.000 0.000) 21.606 13.831 ( -6.675 0.000 0.000) 6.675 13.831 ( 6.675 0.000 0.000) 6.675 14.096 ( -2.472 0.000 0.000) 2.472 14.096 ( 2.472 0.000 0.000) 2.472 14.589 ( -0.857 0.000 0.000) 0.857 14.589 ( 0.857 0.000 0.000) 0.857 17.083 ( -4.563 0.000 0.000) 4.563 17.083 ( 4.563 0.000 0.000) 4.563 17.173 ( -6.150 0.000 0.000) 6.150 17.173 ( 6.150 0.000 0.000) 6.150======================= Grid point 9 (6/60) =======================q-point: ( 0.00 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.322 ( 0.000 17.114 0.000) 17.114 0.329 ( 0.000 17.740 0.000) 17.740 0.720 ( 0.000 35.140 0.000) 35.140 1.204 ( 0.000 -6.106 0.000) 6.106 1.270 ( 0.000 -11.322 0.000) 11.322 1.848 ( 0.000 11.107 0.000) 11.107 2.122 ( 0.000 4.005 0.000) 4.005 2.242 ( 0.000 2.600 0.000) 2.600 2.306 ( 0.000 0.684 0.000) 0.684 2.444 ( 0.000 -4.158 0.000) 4.158 2.555 ( 0.000 -3.740 0.000) 3.740 2.562 ( 0.000 0.233 0.000) 0.233 2.670 ( 0.000 5.877 0.000) 5.877 2.775 ( 0.000 3.289 0.000) 3.289 2.964 ( 0.000 -0.063 0.000) 0.063 2.977 ( 0.000 -1.023 0.000) 1.023 3.104 ( 0.000 -0.078 0.000) 0.078 3.156 ( 0.000 5.846 0.000) 5.846 3.216 ( 0.000 -1.257 0.000) 1.257 3.256 ( 0.000 -9.985 0.000) 9.985 3.588 ( 0.000 -7.471 0.000) 7.471 3.651 ( 0.000 4.696 0.000) 4.696 3.801 ( 0.000 1.159 0.000) 1.159 3.935 ( 0.000 -15.702 0.000) 15.702 3.946 ( 0.000 6.159 0.000) 6.159 3.979 ( 0.000 -4.671 0.000) 4.671 4.079 ( 0.000 -7.979 0.000) 7.979 4.088 ( 0.000 0.193 0.000) 0.193 4.116 ( 0.000 3.051 0.000) 3.051 4.229 ( 0.000 0.145 0.000) 0.145 4.315 ( 0.000 1.249 0.000) 1.249 4.384 ( 0.000 7.770 0.000) 7.770 4.432 ( 0.000 -1.107 0.000) 1.107 4.746 ( 0.000 -8.359 0.000) 8.359 4.909 ( 0.000 -0.053 0.000) 0.053 5.016 ( 0.000 -1.801 0.000) 1.801 5.017 ( 0.000 -0.725 0.000) 0.725 5.046 ( 0.000 -4.468 0.000) 4.468 5.227 ( 0.000 11.700 0.000) 11.700 5.266 ( 0.000 5.801 0.000) 5.801 5.419 ( 0.000 1.860 0.000) 1.860 5.476 ( 0.000 -1.709 0.000) 1.709 6.474 ( 0.000 1.831 0.000) 1.831 6.592 ( 0.000 0.173 0.000) 0.173 6.620 ( 0.000 -0.511 0.000) 0.511 6.747 ( 0.000 -5.910 0.000) 5.910 6.918 ( 0.000 1.113 0.000) 1.113 6.931 ( 0.000 0.041 0.000) 0.041 7.430 ( 0.000 3.392 0.000) 3.392 7.684 ( 0.000 -2.821 0.000) 2.821 7.942 ( 0.000 4.358 0.000) 4.358 8.225 ( 0.000 -2.908 0.000) 2.908 8.906 ( 0.000 0.135 0.000) 0.135 8.920 ( 0.000 -0.193 0.000) 0.193 10.553 ( 0.000 3.801 0.000) 3.801 10.718 ( 0.000 0.037 0.000) 0.037 10.721 ( 0.000 -0.042 0.000) 0.042 10.859 ( 0.000 -3.657 0.000) 3.657 13.196 ( 0.000 1.264 0.000) 1.264 13.289 ( 0.000 -0.971 0.000) 0.971 13.423 ( 0.000 1.276 0.000) 1.276 13.520 ( 0.000 -1.092 0.000) 1.092 13.680 ( 0.000 2.720 0.000) 2.720 14.003 ( 0.000 -7.123 0.000) 7.123 14.348 ( 0.000 6.225 0.000) 6.225 14.456 ( 0.000 0.927 0.000) 0.927 14.542 ( 0.000 -1.128 0.000) 1.128 14.598 ( 0.000 -1.851 0.000) 1.851 16.842 ( 0.000 0.228 0.000) 0.228 16.865 ( 0.000 -0.316 0.000) 0.316 17.336 ( 0.000 1.539 0.000) 1.539 17.465 ( 0.000 -1.587 0.000) 1.587======================= Grid point 10 (7/60) =======================q-point: ( 0.12 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.536 ( 15.939 10.286 0.000) 18.970 0.711 ( 9.864 25.649 0.000) 27.481 1.074 ( 36.758 10.656 0.000) 38.271 1.313 ( 3.971 -10.458 0.000) 11.186 1.470 ( 21.059 -5.203 0.000) 21.692 1.863 ( 2.008 9.711 0.000) 9.916 2.195 ( -3.979 2.871 0.000) 4.906 2.225 ( 10.068 3.476 0.000) 10.651 2.289 ( -1.997 0.671 0.000) 2.106 2.439 ( -1.437 -1.129 0.000) 1.828 2.507 ( -3.277 -1.279 0.000) 3.517 2.556 ( 0.077 -5.241 0.000) 5.241 2.632 ( -3.625 5.932 0.000) 6.952 2.753 ( -3.293 3.300 0.000) 4.662 2.910 ( -4.587 -2.387 0.000) 5.171 2.989 ( 0.528 1.678 0.000) 1.759 3.083 ( -5.533 3.862 0.000) 6.747 3.164 ( 7.689 2.385 0.000) 8.050 3.232 ( -3.592 -7.056 0.000) 7.918 3.402 ( 14.365 -3.303 0.000) 14.740 3.475 ( -12.094 -5.497 0.000) 13.285 3.666 ( -2.647 1.655 0.000) 3.122 3.779 ( -2.389 3.024 0.000) 3.854 3.865 ( 2.598 -6.687 0.000) 7.174 3.874 ( -7.980 0.460 0.000) 7.993 3.881 ( 2.445 -4.057 0.000) 4.737 4.086 ( 1.047 -1.787 0.000) 2.072 4.167 ( 7.014 -8.504 0.000) 11.023 4.208 ( 0.562 0.499 0.000) 0.752 4.312 ( 4.869 1.616 0.000) 5.130 4.359 ( 3.545 2.065 0.000) 4.103 4.470 ( 4.771 3.695 0.000) 6.034 4.521 ( 8.400 -1.660 0.000) 8.562 4.607 ( -3.580 0.619 0.000) 3.633 4.948 ( 6.917 2.744 0.000) 7.442 4.972 ( -2.972 -0.711 0.000) 3.056 5.020 ( -4.771 8.969 0.000) 10.160 5.040 ( -2.030 -3.298 0.000) 3.872 5.209 ( 11.371 -1.648 0.000) 11.489 5.226 ( -3.512 4.942 0.000) 6.063 5.318 ( -6.958 1.089 0.000) 7.042 5.400 ( -7.020 -1.487 0.000) 7.176 6.449 ( -2.235 1.899 0.000) 2.933 6.732 ( -1.674 -6.302 0.000) 6.520 6.770 ( 0.856 1.700 0.000) 1.904 6.824 ( -6.508 1.858 0.000) 6.768 6.840 ( 15.663 -0.461 0.000) 15.670 6.926 ( -2.898 0.541 0.000) 2.948 7.290 ( -9.924 3.524 0.000) 10.531 7.639 ( 1.808 -7.447 0.000) 7.664 7.948 ( 0.542 3.345 0.000) 3.389 8.188 ( -3.469 -2.658 0.000) 4.370 9.193 ( 26.301 2.475 0.000) 26.418 9.299 ( 29.835 0.254 0.000) 29.836 10.623 ( 6.538 4.095 0.000) 7.714 10.952 ( 8.628 -3.944 0.000) 9.487 11.055 ( 30.617 2.078 0.000) 30.687 11.723 ( 32.922 -28.841 0.000) 43.768 13.130 ( -6.362 1.267 0.000) 6.487 13.226 ( -6.069 -1.080 0.000) 6.164 13.455 ( 2.914 1.261 0.000) 3.175 13.542 ( 2.040 -0.913 0.000) 2.235 13.583 ( -8.643 2.520 0.000) 9.003 13.905 ( -3.879 -5.661 0.000) 6.863 14.275 ( -3.422 4.412 0.000) 5.583 14.445 ( -1.351 1.125 0.000) 1.758 14.548 ( 0.547 -1.354 0.000) 1.460 14.599 ( -2.548 -5.874 0.000) 6.403 16.862 ( 1.811 0.250 0.000) 1.829 16.886 ( 2.008 -0.337 0.000) 2.036 17.318 ( -1.725 1.494 0.000) 2.282 17.458 ( -1.742 -2.498 0.000) 3.046======================= Grid point 11 (8/60) =======================q-point: ( 0.25 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 17.736 5.066 0.000) 18.446 0.917 ( 11.503 22.232 0.000) 25.032 1.424 ( 6.426 -8.304 0.000) 10.500 1.686 ( 15.639 0.493 0.000) 15.647 1.829 ( 8.392 -0.870 0.000) 8.437 1.938 ( 3.767 7.805 0.000) 8.667 2.073 ( -8.436 3.843 0.000) 9.270 2.241 ( -1.837 -0.055 0.000) 1.838 2.425 ( 8.732 -2.276 0.000) 9.023 2.486 ( 2.290 -3.006 0.000) 3.780 2.527 ( -6.168 6.386 0.000) 8.878 2.549 ( 12.565 1.280 0.000) 12.630 2.623 ( 7.357 -1.597 0.000) 7.528 2.681 ( 1.162 2.198 0.000) 2.486 2.815 ( -2.562 -1.938 0.000) 3.212 2.963 ( -5.672 2.881 0.000) 6.361 2.988 ( 1.349 6.556 0.000) 6.694 3.076 ( -12.500 -4.141 0.000) 13.168 3.166 ( -13.812 -0.425 0.000) 13.818 3.374 ( 10.148 1.731 0.000) 10.294 3.529 ( -8.316 -0.053 0.000) 8.316 3.700 ( -4.753 -5.102 0.000) 6.973 3.733 ( 15.580 -7.077 0.000) 17.112 3.895 ( 3.270 -13.801 0.000) 14.183 3.911 ( 6.606 0.222 0.000) 6.610 4.050 ( 10.468 4.463 0.000) 11.380 4.052 ( -3.981 -0.812 0.000) 4.063 4.211 ( -0.294 1.284 0.000) 1.317 4.326 ( 7.838 -6.518 0.000) 10.194 4.333 ( -1.721 -1.460 0.000) 2.256 4.453 ( 4.172 5.098 0.000) 6.588 4.553 ( 3.579 2.447 0.000) 4.336 4.628 ( 4.046 -0.620 0.000) 4.093 4.686 ( 4.976 -1.756 0.000) 5.277 4.920 ( -1.836 0.177 0.000) 1.845 4.931 ( -4.060 6.736 0.000) 7.865 4.938 ( -7.046 -1.639 0.000) 7.234 5.121 ( 0.564 0.699 0.000) 0.898 5.135 ( -5.348 2.340 0.000) 5.837 5.215 ( -9.443 -0.891 0.000) 9.485 5.258 ( 10.880 3.240 0.000) 11.352 5.502 ( 14.900 -2.721 0.000) 15.147 6.391 ( -3.113 1.789 0.000) 3.591 6.654 ( -7.536 -5.649 0.000) 9.418 6.663 ( -8.280 2.933 0.000) 8.784 6.680 ( -6.755 5.651 0.000) 8.807 6.826 ( -5.274 0.916 0.000) 5.352 6.998 ( -6.054 -3.393 0.000) 6.940 7.275 ( 12.990 5.218 0.000) 13.999 7.723 ( 5.064 -6.952 0.000) 8.601 7.957 ( 0.064 1.173 0.000) 1.174 8.089 ( -5.773 -1.947 0.000) 6.093 9.901 ( 39.734 2.567 0.000) 39.817 10.037 ( 38.659 -0.550 0.000) 38.663 10.810 ( 10.934 4.705 0.000) 11.903 11.187 ( 12.950 -4.518 0.000) 13.715 11.834 ( 39.875 1.681 0.000) 39.910 11.993 ( 1.331 -1.572 0.000) 2.060 12.928 ( -13.399 1.280 0.000) 13.460 13.037 ( -11.888 -1.421 0.000) 11.973 13.354 ( -12.337 3.770 0.000) 12.900 13.535 ( 4.294 1.264 0.000) 4.476 13.599 ( 3.325 -0.423 0.000) 3.351 13.891 ( 1.203 -9.134 0.000) 9.213 14.204 ( -3.723 2.633 0.000) 4.560 14.385 ( -4.751 1.912 0.000) 5.121 14.526 ( -3.295 -7.027 0.000) 7.761 14.560 ( 0.427 -2.295 0.000) 2.334 16.915 ( 3.321 0.344 0.000) 3.339 16.947 ( 3.915 -0.434 0.000) 3.939 17.265 ( -3.263 1.347 0.000) 3.530 17.392 ( -4.371 -1.895 0.000) 4.764======================= Grid point 12 (9/60) =======================q-point: ( 0.38 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.190 ( 14.441 14.460 0.000) 20.436 1.249 ( 15.853 2.182 0.000) 16.003 1.566 ( 7.000 -5.742 0.000) 9.053 1.770 ( -4.891 2.037 0.000) 5.298 1.826 ( -4.339 -2.473 0.000) 4.994 1.844 ( -13.024 6.453 0.000) 14.535 2.010 ( 4.869 3.324 0.000) 5.895 2.215 ( -1.733 -3.212 0.000) 3.650 2.405 ( -4.294 8.351 0.000) 9.391 2.437 ( -1.968 -0.612 0.000) 2.061 2.525 ( -1.763 1.658 0.000) 2.420 2.684 ( 2.858 -2.290 0.000) 3.663 2.742 ( 0.878 -2.165 0.000) 2.336 2.772 ( -13.749 0.618 0.000) 13.763 2.858 ( -4.416 1.635 0.000) 4.709 2.860 ( 13.556 2.787 0.000) 13.839 2.932 ( -9.990 -1.871 0.000) 10.164 3.168 ( 24.350 0.859 0.000) 24.365 3.196 ( 23.228 4.196 0.000) 23.603 3.339 ( -9.835 0.874 0.000) 9.873 3.545 ( 6.772 0.578 0.000) 6.796 3.631 ( -2.301 -6.261 0.000) 6.671 3.889 ( -10.618 1.580 0.000) 10.735 3.947 ( 5.526 -11.664 0.000) 12.907 4.016 ( 7.263 -10.624 0.000) 12.869 4.031 ( 2.160 -5.796 0.000) 6.185 4.168 ( -5.802 0.263 0.000) 5.808 4.260 ( -4.739 -4.660 0.000) 6.647 4.297 ( 11.130 5.791 0.000) 12.546 4.489 ( -3.057 6.716 0.000) 7.379 4.494 ( 9.078 -1.418 0.000) 9.188 4.619 ( 2.450 1.300 0.000) 2.774 4.640 ( -4.429 4.321 0.000) 6.188 4.722 ( 4.354 -1.661 0.000) 4.660 4.837 ( -2.761 -2.744 0.000) 3.893 4.862 ( -1.963 6.337 0.000) 6.634 4.906 ( -0.645 -0.266 0.000) 0.698 4.984 ( -8.679 0.438 0.000) 8.690 5.076 ( -1.693 -0.624 0.000) 1.805 5.078 ( -3.397 -0.302 0.000) 3.411 5.620 ( 19.907 2.648 0.000) 20.082 5.818 ( 15.260 -2.564 0.000) 15.474 6.319 ( -4.966 -0.383 0.000) 4.981 6.406 ( -15.446 -1.446 0.000) 15.514 6.483 ( -7.695 5.420 0.000) 9.413 6.537 ( -6.396 6.065 0.000) 8.814 6.759 ( -1.176 -1.795 0.000) 2.146 6.856 ( -5.827 -2.142 0.000) 6.208 7.552 ( 12.056 2.154 0.000) 12.247 7.827 ( 4.672 -4.642 0.000) 6.586 7.924 ( -4.948 -0.195 0.000) 4.952 7.973 ( -3.797 -1.542 0.000) 4.099 10.722 ( 35.539 1.400 0.000) 35.567 10.812 ( 34.139 -0.627 0.000) 34.144 11.046 ( 10.770 4.910 0.000) 11.836 11.421 ( 7.150 -4.209 0.000) 8.297 11.938 ( -2.274 6.588 0.000) 6.970 12.545 ( 21.312 -10.898 0.000) 23.937 12.560 ( -22.007 2.054 0.000) 22.103 12.777 ( -11.322 -3.621 0.000) 11.887 13.172 ( 0.175 13.305 0.000) 13.307 13.584 ( -1.171 2.774 0.000) 3.011 13.691 ( 5.705 -0.378 0.000) 5.718 13.896 ( -1.749 -5.719 0.000) 5.980 14.130 ( -2.770 2.590 0.000) 3.792 14.248 ( -7.839 3.119 0.000) 8.436 14.494 ( 0.355 -7.820 0.000) 7.828 14.557 ( -0.866 -4.172 0.000) 4.261 16.996 ( 4.334 0.541 0.000) 4.367 17.045 ( 5.340 -0.647 0.000) 5.380 17.186 ( -4.326 1.099 0.000) 4.464 17.286 ( -5.685 -1.382 0.000) 5.850======================= Grid point 13 (10/60) =======================q-point: (-0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( -5.364 3.411 0.000) 6.357 1.464 ( 5.364 3.411 0.000) 6.357 1.617 ( -2.752 7.395 0.000) 7.891 1.617 ( 2.752 7.395 0.000) 7.891 1.715 ( -5.933 -3.223 0.000) 6.752 1.715 ( 5.933 -3.223 0.000) 6.752 2.129 ( -5.867 -1.238 0.000) 5.996 2.129 ( 5.867 -1.238 0.000) 5.996 2.390 ( -2.004 5.127 0.000) 5.505 2.390 ( 2.004 5.127 0.000) 5.505 2.559 ( -6.093 1.285 0.000) 6.227 2.559 ( 6.093 1.285 0.000) 6.227 2.760 ( -5.919 -1.660 0.000) 6.147 2.760 ( 5.919 -1.660 0.000) 6.147 2.783 ( -2.873 0.163 0.000) 2.877 2.783 ( 2.873 0.163 0.000) 2.877 3.120 ( -11.479 1.896 0.000) 11.634 3.120 ( 11.479 1.896 0.000) 11.634 3.564 ( -9.778 -0.708 0.000) 9.803 3.564 ( 9.778 -0.708 0.000) 9.803 3.595 ( -13.156 -1.689 0.000) 13.264 3.595 ( 13.156 -1.689 0.000) 13.264 3.832 ( -22.255 1.472 0.000) 22.303 3.832 ( 22.255 1.472 0.000) 22.303 4.042 ( -3.514 -10.388 0.000) 10.966 4.042 ( 3.514 -10.388 0.000) 10.966 4.145 ( -5.858 -8.347 0.000) 10.198 4.145 ( 5.858 -8.347 0.000) 10.198 4.414 ( -1.899 7.903 0.000) 8.128 4.414 ( 1.899 7.903 0.000) 8.128 4.638 ( -0.767 4.360 0.000) 4.427 4.638 ( 0.767 4.360 0.000) 4.427 4.722 ( -10.383 -1.230 0.000) 10.455 4.722 ( 10.383 -1.230 0.000) 10.455 4.812 ( -5.500 -1.106 0.000) 5.611 4.812 ( 5.500 -1.106 0.000) 5.611 4.869 ( -2.177 2.280 0.000) 3.153 4.869 ( 2.177 2.280 0.000) 3.153 5.058 ( -0.360 -0.911 0.000) 0.979 5.058 ( 0.360 -0.911 0.000) 0.979 6.035 ( -19.435 0.848 0.000) 19.453 6.035 ( 19.435 0.848 0.000) 19.453 6.120 ( -13.407 -2.129 0.000) 13.575 6.120 ( 13.407 -2.129 0.000) 13.575 6.438 ( -2.476 6.661 0.000) 7.107 6.438 ( 2.476 6.661 0.000) 7.107 6.771 ( -2.318 -2.348 0.000) 3.299 6.771 ( 2.318 -2.348 0.000) 3.299 7.769 ( -9.000 0.714 0.000) 9.028 7.769 ( 9.000 0.714 0.000) 9.028 7.911 ( -3.362 -2.891 0.000) 4.434 7.911 ( 3.362 -2.891 0.000) 4.434 11.164 ( -3.965 3.037 0.000) 4.994 11.164 ( 3.965 3.037 0.000) 4.994 11.355 ( -15.564 -1.711 0.000) 15.658 11.355 ( 15.564 -1.711 0.000) 15.658 12.086 ( -19.209 5.269 0.000) 19.919 12.086 ( 19.209 5.269 0.000) 19.919 12.656 ( -0.153 -10.632 0.000) 10.633 12.656 ( 0.153 -10.632 0.000) 10.633 13.425 ( -14.671 9.807 0.000) 17.646 13.425 ( 14.671 9.807 0.000) 17.646 13.814 ( -5.545 -1.935 0.000) 5.873 13.814 ( 5.545 -1.935 0.000) 5.873 14.122 ( -2.835 2.930 0.000) 4.077 14.122 ( 2.835 2.930 0.000) 4.077 14.525 ( -1.986 -6.542 0.000) 6.837 14.525 ( 1.986 -6.542 0.000) 6.837 17.091 ( -4.697 0.810 0.000) 4.766 17.091 ( 4.697 0.810 0.000) 4.766 17.163 ( -5.973 -0.968 0.000) 6.051 17.163 ( 5.973 -0.968 0.000) 6.051======================= Grid point 18 (11/60) =======================q-point: ( 0.00 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.637 ( 0.000 16.180 0.000) 16.180 0.667 ( 0.000 18.063 0.000) 18.063 0.912 ( 0.000 -11.810 0.000) 11.810 0.998 ( 0.000 -16.729 0.000) 16.729 1.459 ( 0.000 29.944 0.000) 29.944 1.901 ( 0.000 -11.723 0.000) 11.723 2.207 ( 0.000 4.589 0.000) 4.589 2.290 ( 0.000 2.080 0.000) 2.080 2.304 ( 0.000 -7.239 0.000) 7.239 2.313 ( 0.000 -0.286 0.000) 0.286 2.532 ( 0.000 1.466 0.000) 1.466 2.559 ( 0.000 -0.806 0.000) 0.806 2.826 ( 0.000 10.379 0.000) 10.379 2.849 ( 0.000 4.314 0.000) 4.314 2.929 ( 0.000 -3.855 0.000) 3.855 3.042 ( 0.000 -12.041 0.000) 12.041 3.107 ( 0.000 16.407 0.000) 16.407 3.128 ( 0.000 2.463 0.000) 2.463 3.180 ( 0.000 -2.303 0.000) 2.303 3.291 ( 0.000 7.971 0.000) 7.971 3.442 ( 0.000 -7.909 0.000) 7.909 3.525 ( 0.000 -24.521 0.000) 24.521 3.755 ( 0.000 6.077 0.000) 6.077 3.854 ( 0.000 3.503 0.000) 3.503 3.873 ( 0.000 -6.283 0.000) 6.283 3.944 ( 0.000 -6.124 0.000) 6.124 4.031 ( 0.000 3.135 0.000) 3.135 4.075 ( 0.000 -1.588 0.000) 1.588 4.184 ( 0.000 3.332 0.000) 3.332 4.224 ( 0.000 -0.932 0.000) 0.932 4.352 ( 0.000 2.564 0.000) 2.564 4.400 ( 0.000 -2.260 0.000) 2.260 4.521 ( 0.000 6.614 0.000) 6.614 4.630 ( 0.000 -5.198 0.000) 5.198 4.923 ( 0.000 1.710 0.000) 1.710 4.969 ( 0.000 -2.856 0.000) 2.856 4.993 ( 0.000 -1.035 0.000) 1.035 4.998 ( 0.000 -1.081 0.000) 1.081 5.362 ( 0.000 4.398 0.000) 4.398 5.392 ( 0.000 5.616 0.000) 5.616 5.431 ( 0.000 -2.989 0.000) 2.989 5.443 ( 0.000 -0.140 0.000) 0.140 6.529 ( 0.000 4.146 0.000) 4.146 6.598 ( 0.000 0.455 0.000) 0.455 6.609 ( 0.000 -0.663 0.000) 0.663 6.628 ( 0.000 -6.186 0.000) 6.186 6.930 ( 0.000 0.292 0.000) 0.292 6.932 ( 0.000 0.012 0.000) 0.012 7.513 ( 0.000 5.172 0.000) 5.172 7.610 ( 0.000 -4.825 0.000) 4.825 8.043 ( 0.000 5.884 0.000) 5.884 8.148 ( 0.000 -5.074 0.000) 5.074 8.910 ( 0.000 0.260 0.000) 0.260 8.915 ( 0.000 -0.295 0.000) 0.295 10.649 ( 0.000 6.032 0.000) 6.032 10.719 ( 0.000 0.063 0.000) 0.063 10.720 ( 0.000 -0.065 0.000) 0.065 10.765 ( 0.000 -5.946 0.000) 5.946 13.227 ( 0.000 1.919 0.000) 1.919 13.263 ( 0.000 -1.739 0.000) 1.739 13.455 ( 0.000 1.956 0.000) 1.956 13.492 ( 0.000 -1.843 0.000) 1.843 13.754 ( 0.000 5.130 0.000) 5.130 13.868 ( 0.000 -6.846 0.000) 6.846 14.460 ( 0.000 5.405 0.000) 5.405 14.481 ( 0.000 1.617 0.000) 1.617 14.514 ( 0.000 -1.740 0.000) 1.740 14.546 ( 0.000 -3.707 0.000) 3.707 16.849 ( 0.000 0.411 0.000) 0.411 16.857 ( 0.000 -0.465 0.000) 0.465 17.375 ( 0.000 2.516 0.000) 2.516 17.424 ( 0.000 -2.546 0.000) 2.546======================= Grid point 19 (12/60) =======================q-point: ( 0.12 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.779 ( 9.911 14.729 0.000) 17.753 1.044 ( 24.319 11.861 0.000) 27.057 1.064 ( 6.124 -15.009 0.000) 16.210 1.222 ( 23.126 -5.328 0.000) 23.732 1.559 ( 12.137 21.200 0.000) 24.429 1.911 ( 2.496 -9.495 0.000) 9.818 2.253 ( -3.222 2.866 0.000) 4.312 2.290 ( -2.387 -0.889 0.000) 2.547 2.292 ( 6.821 3.089 0.000) 7.488 2.362 ( 3.885 -5.432 0.000) 6.678 2.486 ( -2.875 0.257 0.000) 2.887 2.499 ( -3.353 -0.726 0.000) 3.431 2.789 ( -3.471 10.403 0.000) 10.967 2.823 ( -3.103 3.708 0.000) 4.835 2.881 ( -4.286 -2.076 0.000) 4.762 2.999 ( -3.916 -11.077 0.000) 11.749 3.122 ( 2.031 14.626 0.000) 14.766 3.225 ( 8.530 4.040 0.000) 9.439 3.240 ( -4.933 6.501 0.000) 8.161 3.324 ( 11.788 -4.343 0.000) 12.563 3.365 ( -7.473 -6.328 0.000) 9.792 3.520 ( 0.332 -22.116 0.000) 22.118 3.709 ( -6.608 2.836 0.000) 7.191 3.765 ( -8.253 -2.843 0.000) 8.729 3.934 ( -3.268 4.489 0.000) 5.553 3.934 ( 7.251 4.052 0.000) 8.306 4.019 ( -0.363 -4.449 0.000) 4.464 4.029 ( 7.335 -6.152 0.000) 9.573 4.257 ( 1.277 3.487 0.000) 3.714 4.309 ( 2.537 -1.664 0.000) 3.034 4.415 ( 6.170 3.391 0.000) 7.040 4.476 ( 7.545 -2.944 0.000) 8.099 4.530 ( 1.406 3.003 0.000) 3.316 4.582 ( -1.512 -2.377 0.000) 2.817 4.966 ( -1.843 0.549 0.000) 1.923 4.993 ( -1.445 -1.996 0.000) 2.464 5.021 ( 9.026 4.673 0.000) 10.164 5.101 ( 7.382 -2.714 0.000) 7.865 5.244 ( -5.167 5.914 0.000) 7.853 5.307 ( -5.060 3.614 0.000) 6.218 5.320 ( -7.609 -1.630 0.000) 7.782 5.363 ( -6.321 -2.427 0.000) 6.771 6.506 ( -2.133 4.246 0.000) 4.752 6.608 ( -2.019 -6.349 0.000) 6.662 6.800 ( 8.947 1.498 0.000) 9.071 6.825 ( 13.056 -1.101 0.000) 13.103 6.869 ( -4.724 2.658 0.000) 5.420 6.913 ( -3.072 -1.789 0.000) 3.555 7.379 ( -7.671 5.714 0.000) 9.565 7.499 ( -3.466 -7.048 0.000) 7.854 8.029 ( -1.294 4.874 0.000) 5.043 8.119 ( -2.722 -4.470 0.000) 5.233 9.243 ( 28.290 2.658 0.000) 28.415 9.286 ( 29.471 -1.664 0.000) 29.518 10.726 ( 7.190 6.497 0.000) 9.690 10.851 ( 7.984 -6.406 0.000) 10.237 11.129 ( 34.689 6.209 0.000) 35.240 11.314 ( 40.586 -14.583 0.000) 43.126 13.161 ( -6.344 1.956 0.000) 6.639 13.198 ( -6.241 -1.834 0.000) 6.504 13.485 ( 2.778 1.813 0.000) 3.318 13.518 ( 2.431 -1.606 0.000) 2.914 13.657 ( -8.533 5.213 0.000) 9.999 13.774 ( -7.242 -7.107 0.000) 10.147 14.385 ( -5.292 6.275 0.000) 8.209 14.475 ( -0.794 1.949 0.000) 2.105 14.496 ( -4.503 -5.520 0.000) 7.124 14.514 ( -0.068 -2.090 0.000) 2.091 16.868 ( 1.872 0.446 0.000) 1.925 16.877 ( 1.948 -0.500 0.000) 2.011 17.357 ( -1.805 2.531 0.000) 3.109 17.408 ( -1.773 -2.807 0.000) 3.320======================= Grid point 20 (13/60) =======================q-point: ( 0.25 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.033 ( 13.733 9.411 0.000) 16.648 1.232 ( 9.535 -11.156 0.000) 14.675 1.340 ( 8.241 20.153 0.000) 21.772 1.618 ( 11.050 -9.095 0.000) 14.312 1.874 ( 8.393 6.286 0.000) 10.486 1.997 ( 2.027 -3.570 0.000) 4.106 2.155 ( -6.524 4.343 0.000) 7.837 2.220 ( -4.068 -2.321 0.000) 4.684 2.405 ( 5.401 -0.102 0.000) 5.402 2.426 ( 5.281 -2.648 0.000) 5.908 2.570 ( 11.591 1.480 0.000) 11.685 2.593 ( 13.961 -0.741 0.000) 13.981 2.694 ( -5.232 10.673 0.000) 11.886 2.745 ( -2.231 3.289 0.000) 3.974 2.789 ( -3.015 -1.416 0.000) 3.331 2.893 ( -5.938 -9.504 0.000) 11.206 3.084 ( -9.983 4.089 0.000) 10.788 3.147 ( -12.378 -2.093 0.000) 12.554 3.171 ( 3.633 13.866 0.000) 14.334 3.409 ( 6.458 -1.706 0.000) 6.679 3.538 ( -8.005 1.541 0.000) 8.152 3.575 ( 7.686 -11.316 0.000) 13.680 3.599 ( -6.845 -4.772 0.000) 8.345 3.603 ( 12.040 -9.192 0.000) 15.148 3.941 ( 1.528 2.681 0.000) 3.086 4.002 ( -1.987 -3.533 0.000) 4.053 4.134 ( 11.670 4.418 0.000) 12.478 4.220 ( 10.672 -4.903 0.000) 11.744 4.257 ( -1.249 2.790 0.000) 3.057 4.302 ( -2.665 -1.971 0.000) 3.315 4.552 ( 5.924 5.106 0.000) 7.821 4.587 ( 3.548 1.437 0.000) 3.828 4.611 ( 3.551 -1.135 0.000) 3.728 4.635 ( 6.209 -3.619 0.000) 7.187 4.916 ( -3.819 -0.117 0.000) 3.821 4.922 ( -4.718 -0.449 0.000) 4.739 5.054 ( -4.792 5.367 0.000) 7.195 5.118 ( -3.744 -1.521 0.000) 4.041 5.174 ( -7.367 1.565 0.000) 7.531 5.196 ( -8.473 -1.001 0.000) 8.532 5.339 ( 13.863 5.051 0.000) 14.755 5.432 ( 14.570 -4.525 0.000) 15.256 6.445 ( -3.763 4.007 0.000) 5.497 6.539 ( -4.986 -5.836 0.000) 7.676 6.740 ( -7.369 4.360 0.000) 8.562 6.802 ( -5.577 6.720 0.000) 8.733 6.809 ( -6.332 -2.576 0.000) 6.836 6.916 ( -4.567 -5.240 0.000) 6.951 7.400 ( 9.378 7.910 0.000) 12.269 7.564 ( 7.252 -9.168 0.000) 11.690 7.991 ( -2.318 2.387 0.000) 3.327 8.042 ( -4.514 -2.834 0.000) 5.330 9.959 ( 38.880 3.250 0.000) 39.016 10.012 ( 38.470 -2.161 0.000) 38.530 10.928 ( 11.607 7.453 0.000) 13.794 11.072 ( 12.378 -7.342 0.000) 14.392 11.882 ( 32.024 3.328 0.000) 32.197 11.947 ( 18.117 -3.180 0.000) 18.394 12.961 ( -13.158 2.098 0.000) 13.324 13.002 ( -12.614 -2.167 0.000) 12.799 13.469 ( -7.357 8.546 0.000) 11.276 13.562 ( 4.337 1.484 0.000) 4.584 13.586 ( 3.912 -0.985 0.000) 4.034 13.672 ( -0.844 -12.516 0.000) 12.545 14.281 ( -4.566 5.270 0.000) 6.973 14.393 ( -4.611 -6.618 0.000) 8.066 14.436 ( -3.277 3.323 0.000) 4.667 14.503 ( -1.279 -3.558 0.000) 3.781 16.925 ( 3.502 0.601 0.000) 3.553 16.937 ( 3.728 -0.657 0.000) 3.786 17.301 ( -3.523 2.324 0.000) 4.220 17.348 ( -3.889 -2.596 0.000) 4.676======================= Grid point 21 (14/60) =======================q-point: ( 0.38 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.319 ( 13.122 5.272 0.000) 14.142 1.439 ( 9.943 -7.149 0.000) 12.246 1.495 ( 6.885 15.817 0.000) 17.250 1.722 ( -0.130 -7.766 0.000) 7.767 1.852 ( -5.547 5.283 0.000) 7.660 1.976 ( -0.794 -6.497 0.000) 6.546 1.987 ( -9.211 8.038 0.000) 12.225 2.125 ( -5.097 -6.282 0.000) 8.089 2.479 ( 3.276 4.000 0.000) 5.170 2.547 ( 2.573 -1.721 0.000) 3.096 2.597 ( -3.626 10.732 0.000) 11.328 2.649 ( 0.563 2.010 0.000) 2.088 2.712 ( -0.103 -2.513 0.000) 2.516 2.754 ( -7.885 -4.668 0.000) 9.163 2.868 ( -9.002 1.173 0.000) 9.078 2.905 ( -10.196 -1.580 0.000) 10.317 2.960 ( 15.944 7.945 0.000) 17.814 3.106 ( 23.619 -5.945 0.000) 24.356 3.341 ( 14.366 9.038 0.000) 16.973 3.378 ( -7.796 3.772 0.000) 8.660 3.490 ( -4.065 -7.706 0.000) 8.712 3.515 ( 6.831 -6.705 0.000) 9.572 3.754 ( 8.802 -3.398 0.000) 9.435 3.830 ( 8.894 -8.339 0.000) 12.191 3.915 ( -6.812 1.394 0.000) 6.953 3.952 ( -1.072 -2.708 0.000) 2.912 4.168 ( -9.054 0.190 0.000) 9.056 4.190 ( -8.234 -2.463 0.000) 8.594 4.393 ( 11.897 4.232 0.000) 12.627 4.457 ( 11.687 -2.637 0.000) 11.981 4.613 ( -1.573 6.114 0.000) 6.313 4.650 ( 2.281 1.951 0.000) 3.001 4.688 ( 3.337 -1.975 0.000) 3.878 4.693 ( 0.237 -0.884 0.000) 0.915 4.805 ( -3.987 1.120 0.000) 4.141 4.864 ( -2.099 -3.561 0.000) 4.133 4.975 ( -2.694 5.131 0.000) 5.796 5.016 ( -6.590 2.499 0.000) 7.048 5.048 ( -2.285 -2.627 0.000) 3.481 5.059 ( -4.666 -1.752 0.000) 4.984 5.685 ( 18.035 3.905 0.000) 18.453 5.757 ( 16.227 -3.670 0.000) 16.637 6.331 ( -8.356 1.505 0.000) 8.490 6.368 ( -12.029 -2.256 0.000) 12.238 6.599 ( -4.754 6.269 0.000) 7.868 6.670 ( -6.094 7.292 0.000) 9.503 6.702 ( -2.841 -4.404 0.000) 5.241 6.789 ( -5.899 -5.078 0.000) 7.783 7.616 ( 9.834 4.612 0.000) 10.862 7.720 ( 7.047 -6.126 0.000) 9.338 7.924 ( -4.796 0.402 0.000) 4.813 7.942 ( -4.493 -1.466 0.000) 4.726 10.756 ( 34.762 2.028 0.000) 34.821 10.791 ( 34.189 -1.600 0.000) 34.227 11.168 ( 10.095 7.581 0.000) 12.625 11.311 ( 8.745 -7.163 0.000) 11.305 12.107 ( 1.962 10.808 0.000) 10.985 12.325 ( 9.269 -12.048 0.000) 15.201 12.615 ( -19.649 3.756 0.000) 20.005 12.696 ( -15.778 -4.605 0.000) 16.436 13.451 ( 6.395 15.604 0.000) 16.863 13.639 ( 2.195 2.672 0.000) 3.458 13.676 ( 4.587 -1.330 0.000) 4.776 13.724 ( 3.718 -12.472 0.000) 13.014 14.203 ( -2.428 5.270 0.000) 5.802 14.331 ( -0.800 -8.309 0.000) 8.348 14.334 ( -6.318 5.806 0.000) 8.581 14.453 ( -3.536 -6.429 0.000) 7.337 17.010 ( 4.633 0.926 0.000) 4.725 17.029 ( 5.017 -0.991 0.000) 5.114 17.214 ( -4.685 1.883 0.000) 5.050 17.252 ( -5.188 -2.048 0.000) 5.578======================= Grid point 22 (15/60) =======================q-point: (-0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.538 ( -5.956 4.457 0.000) 7.439 1.538 ( 5.956 4.457 0.000) 7.439 1.627 ( -7.781 -4.802 0.000) 9.144 1.627 ( 7.781 -4.802 0.000) 9.144 1.815 ( -5.186 11.575 0.000) 12.684 1.815 ( 5.186 11.575 0.000) 12.684 2.020 ( -4.372 -9.378 0.000) 10.347 2.020 ( 4.372 -9.378 0.000) 10.347 2.548 ( -1.749 8.485 0.000) 8.663 2.548 ( 1.749 8.485 0.000) 8.663 2.593 ( -5.796 1.864 0.000) 6.088 2.593 ( 5.796 1.864 0.000) 6.088 2.718 ( -5.712 -1.602 0.000) 5.933 2.718 ( 5.712 -1.602 0.000) 5.933 2.757 ( -4.218 -3.467 0.000) 5.459 2.757 ( 4.218 -3.467 0.000) 5.459 3.205 ( -9.210 7.784 0.000) 12.058 3.205 ( 9.210 7.784 0.000) 12.058 3.401 ( -5.850 -11.695 0.000) 13.076 3.401 ( 5.850 -11.695 0.000) 13.076 3.684 ( -15.600 6.907 0.000) 17.061 3.684 ( 15.600 6.907 0.000) 17.061 3.818 ( -17.543 -5.855 0.000) 18.494 3.818 ( 17.543 -5.855 0.000) 18.494 3.919 ( -7.906 0.666 0.000) 7.934 3.919 ( 7.906 0.666 0.000) 7.934 3.998 ( -8.620 -6.511 0.000) 10.803 3.998 ( 8.620 -6.511 0.000) 10.803 4.554 ( -3.586 6.781 0.000) 7.671 4.554 ( 3.586 6.781 0.000) 7.671 4.658 ( -5.098 -3.740 0.000) 6.323 4.658 ( 5.098 -3.740 0.000) 6.323 4.719 ( -5.237 2.465 0.000) 5.788 4.719 ( 5.237 2.465 0.000) 5.788 4.769 ( -5.721 -2.720 0.000) 6.335 4.769 ( 5.721 -2.720 0.000) 6.335 4.945 ( -0.198 4.681 0.000) 4.685 4.945 ( 0.198 4.681 0.000) 4.685 5.021 ( -0.376 -3.114 0.000) 3.137 5.021 ( 0.376 -3.114 0.000) 3.137 6.056 ( -17.158 1.356 0.000) 17.212 6.056 ( 17.158 1.356 0.000) 17.212 6.084 ( -14.687 -1.654 0.000) 14.780 6.084 ( 14.687 -1.654 0.000) 14.780 6.577 ( -2.288 7.472 0.000) 7.814 6.577 ( 2.288 7.472 0.000) 7.814 6.700 ( -2.381 -5.281 0.000) 5.793 6.700 ( 2.381 -5.281 0.000) 5.793 7.794 ( -7.415 2.084 0.000) 7.702 7.794 ( 7.415 2.084 0.000) 7.702 7.847 ( -5.234 -3.432 0.000) 6.258 7.847 ( 5.234 -3.432 0.000) 6.258 11.235 ( -8.061 4.106 0.000) 9.046 11.235 ( 8.061 4.106 0.000) 9.046 11.307 ( -12.511 -3.313 0.000) 12.942 11.307 ( 12.511 -3.313 0.000) 12.942 12.228 ( -13.737 9.669 0.000) 16.799 12.228 ( 13.737 9.669 0.000) 16.799 12.436 ( -7.082 -11.979 0.000) 13.916 12.436 ( 7.082 -11.979 0.000) 13.916 13.614 ( -5.553 9.221 0.000) 10.764 13.614 ( 5.553 9.221 0.000) 10.764 13.750 ( -1.686 -5.171 0.000) 5.439 13.750 ( 1.686 -5.171 0.000) 5.439 14.212 ( -3.863 6.789 0.000) 7.811 14.212 ( 3.863 6.789 0.000) 7.811 14.369 ( -3.868 -9.193 0.000) 9.974 14.369 ( 3.868 -9.193 0.000) 9.974 17.112 ( -5.060 1.379 0.000) 5.245 17.112 ( 5.060 1.379 0.000) 5.245 17.140 ( -5.543 -1.476 0.000) 5.736 17.140 ( 5.543 -1.476 0.000) 5.736======================= Grid point 45 (16/60) =======================q-point: ( 0.00 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.359 ( 0.000 0.000 16.920) 16.920 0.410 ( 0.000 0.000 19.632) 19.632 0.639 ( 0.000 0.000 30.085) 30.085 1.302 ( 0.000 0.000 1.846) 1.846 1.423 ( 0.000 0.000 3.527) 3.527 1.663 ( 0.000 0.000 -5.429) 5.429 1.971 ( 0.000 0.000 -6.811) 6.811 2.114 ( 0.000 0.000 -4.054) 4.054 2.338 ( 0.000 0.000 3.417) 3.417 2.455 ( 0.000 0.000 -13.344) 13.344 2.562 ( 0.000 0.000 7.369) 7.369 2.677 ( 0.000 0.000 10.189) 10.189 2.728 ( 0.000 0.000 -0.660) 0.660 2.768 ( 0.000 0.000 5.362) 5.362 2.918 ( 0.000 0.000 -5.357) 5.357 2.926 ( 0.000 0.000 6.454) 6.454 2.998 ( 0.000 0.000 -8.288) 8.288 3.140 ( 0.000 0.000 -0.283) 0.283 3.406 ( 0.000 0.000 14.148) 14.148 3.490 ( 0.000 0.000 -8.298) 8.298 3.654 ( 0.000 0.000 3.673) 3.673 3.699 ( 0.000 0.000 -0.340) 0.340 3.812 ( 0.000 0.000 1.583) 1.583 3.936 ( 0.000 0.000 -6.753) 6.753 3.974 ( 0.000 0.000 8.336) 8.336 3.979 ( 0.000 0.000 -5.605) 5.605 4.074 ( 0.000 0.000 -0.825) 0.825 4.122 ( 0.000 0.000 4.409) 4.409 4.202 ( 0.000 0.000 -1.299) 1.299 4.226 ( 0.000 0.000 -0.203) 0.203 4.273 ( 0.000 0.000 2.279) 2.279 4.331 ( 0.000 0.000 2.997) 2.997 4.535 ( 0.000 0.000 -1.927) 1.927 4.688 ( 0.000 0.000 -9.323) 9.323 4.961 ( 0.000 0.000 2.781) 2.781 4.980 ( 0.000 0.000 -4.752) 4.752 4.980 ( 0.000 0.000 -3.849) 3.849 5.051 ( 0.000 0.000 3.562) 3.562 5.078 ( 0.000 0.000 -5.722) 5.722 5.182 ( 0.000 0.000 1.367) 1.367 5.354 ( 0.000 0.000 -3.374) 3.374 5.483 ( 0.000 0.000 -1.474) 1.474 6.433 ( 0.000 0.000 -2.017) 2.017 6.549 ( 0.000 0.000 -10.614) 10.614 6.576 ( 0.000 0.000 -1.379) 1.379 6.605 ( 0.000 0.000 -1.948) 1.948 6.996 ( 0.000 0.000 5.858) 5.858 7.099 ( 0.000 0.000 13.411) 13.411 7.441 ( 0.000 0.000 3.744) 3.744 7.473 ( 0.000 0.000 -1.383) 1.383 8.262 ( 0.000 0.000 0.957) 0.957 8.591 ( 0.000 0.000 -1.901) 1.901 8.903 ( 0.000 0.000 0.049) 0.049 8.921 ( 0.000 0.000 -0.095) 0.095 10.534 ( 0.000 0.000 1.672) 1.672 10.721 ( 0.000 0.000 0.277) 0.277 10.724 ( 0.000 0.000 0.212) 0.212 10.869 ( 0.000 0.000 -2.340) 2.340 12.246 ( 0.000 0.000 7.188) 7.188 13.187 ( 0.000 0.000 0.348) 0.348 13.279 ( 0.000 0.000 -1.870) 1.870 13.532 ( 0.000 0.000 0.114) 0.114 13.547 ( 0.000 0.000 0.117) 0.117 13.582 ( 0.000 0.000 -6.748) 6.748 14.260 ( 0.000 0.000 -0.454) 0.454 14.398 ( 0.000 0.000 -3.899) 3.899 14.657 ( 0.000 0.000 3.357) 3.357 14.978 ( 0.000 0.000 -0.929) 0.929 16.939 ( 0.000 0.000 6.291) 6.291 17.322 ( 0.000 0.000 0.031) 0.031 17.509 ( 0.000 0.000 2.808) 2.808 17.935 ( 0.000 0.000 -1.334) 1.334======================= Grid point 46 (17/60) =======================q-point: ( 0.12 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.473 ( 10.143 0.000 12.271) 15.921 0.518 ( 10.110 0.000 11.327) 15.182 1.182 ( 37.379 0.000 15.273) 40.378 1.450 ( 2.741 0.000 1.905) 3.338 1.548 ( 19.707 0.000 2.019) 19.811 1.698 ( 2.995 0.000 -4.904) 5.746 2.001 ( 0.992 0.000 -8.895) 8.950 2.203 ( 6.727 0.000 -1.340) 6.860 2.324 ( 0.452 0.000 4.545) 4.568 2.455 ( -0.664 0.000 -10.862) 10.882 2.539 ( -3.475 0.000 8.183) 8.890 2.614 ( -3.018 0.000 6.676) 7.327 2.708 ( -2.653 0.000 1.166) 2.897 2.791 ( 0.546 0.000 7.716) 7.735 2.822 ( -4.993 0.000 -1.388) 5.183 2.866 ( -3.899 0.000 -6.114) 7.251 3.003 ( -2.329 0.000 -0.336) 2.353 3.291 ( 12.628 0.000 -8.147) 15.028 3.358 ( -8.248 0.000 0.518) 8.265 3.406 ( 1.745 0.000 14.827) 14.929 3.611 ( -15.044 0.000 4.198) 15.618 3.660 ( -3.745 0.000 -0.139) 3.748 3.754 ( 7.837 0.000 1.549) 7.989 3.812 ( -0.178 0.000 -2.142) 2.149 3.842 ( -6.422 0.000 -3.804) 7.464 4.041 ( 1.417 0.000 3.005) 3.323 4.115 ( 1.038 0.000 1.163) 1.559 4.205 ( 0.698 0.000 -2.400) 2.499 4.244 ( 5.987 0.000 -0.007) 5.987 4.312 ( 7.013 0.000 -0.936) 7.075 4.361 ( 2.745 0.000 1.605) 3.180 4.411 ( 5.746 0.000 -0.161) 5.748 4.547 ( 1.166 0.000 -1.974) 2.292 4.567 ( -1.424 0.000 0.430) 1.487 4.909 ( 0.802 0.000 0.969) 1.258 4.940 ( -3.133 0.000 -3.427) 4.643 4.965 ( 0.840 0.000 2.278) 2.428 5.084 ( -0.001 0.000 -5.508) 5.508 5.123 ( -3.807 0.000 1.423) 4.064 5.203 ( 11.972 0.000 -1.754) 12.099 5.295 ( -4.726 0.000 -0.706) 4.778 5.411 ( -6.189 0.000 -0.558) 6.214 6.396 ( -2.943 0.000 -3.096) 4.272 6.543 ( -0.645 0.000 -8.822) 8.845 6.660 ( 1.125 0.000 -7.342) 7.428 6.756 ( 0.984 0.000 -10.755) 10.800 7.002 ( 6.684 0.000 8.754) 11.014 7.059 ( -3.688 0.000 12.910) 13.426 7.308 ( -10.323 0.000 4.512) 11.266 7.599 ( 7.432 0.000 -4.917) 8.911 8.178 ( -11.716 0.000 12.956) 17.468 8.227 ( -3.426 0.000 1.670) 3.811 9.168 ( 25.746 0.000 0.353) 25.748 9.284 ( 30.165 0.000 -0.743) 30.174 10.601 ( 6.318 0.000 1.710) 6.546 10.962 ( 8.634 0.000 -2.585) 9.013 11.042 ( 29.510 0.000 0.482) 29.514 12.200 ( -4.281 0.000 7.029) 8.230 12.425 ( 71.249 0.000 -64.688) 96.234 13.121 ( -6.302 0.000 0.409) 6.315 13.218 ( -5.947 0.000 -1.866) 6.233 13.493 ( -8.273 0.000 -6.372) 10.443 13.551 ( 1.887 0.000 0.093) 1.890 13.583 ( 3.416 0.000 -1.672) 3.803 14.241 ( -1.876 0.000 -0.349) 1.908 14.380 ( -1.914 0.000 -3.988) 4.423 14.611 ( -3.742 0.000 3.689) 5.254 14.891 ( -6.710 0.000 3.100) 7.392 16.952 ( 1.335 0.000 5.706) 5.860 17.303 ( -2.255 0.000 0.674) 2.353 17.370 ( -16.329 0.000 18.081) 24.363 17.554 ( -9.200 0.000 8.034) 12.214======================= Grid point 47 (18/60) =======================q-point: ( 0.25 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.743 ( 15.319 0.000 7.442) 17.031 0.796 ( 16.021 0.000 -1.281) 16.072 1.511 ( 3.754 0.000 -0.331) 3.768 1.781 ( 4.920 0.000 -4.492) 6.663 1.801 ( 15.009 0.000 8.300) 17.151 1.912 ( 9.138 0.000 5.505) 10.668 1.982 ( -3.677 0.000 -4.986) 6.195 2.190 ( -3.130 0.000 -0.721) 3.212 2.387 ( -4.127 0.000 -7.115) 8.225 2.520 ( 10.049 0.000 4.011) 10.820 2.546 ( 6.153 0.000 3.844) 7.255 2.638 ( 2.803 0.000 6.159) 6.767 2.685 ( 8.031 0.000 -0.086) 8.032 2.738 ( -1.963 0.000 9.986) 10.177 2.757 ( -2.795 0.000 -6.253) 6.850 2.801 ( 1.848 0.000 -2.847) 3.394 2.953 ( -2.524 0.000 2.753) 3.735 3.181 ( -9.142 0.000 1.188) 9.218 3.261 ( -16.929 0.000 8.577) 18.978 3.492 ( 5.446 0.000 9.399) 10.863 3.526 ( -8.158 0.000 -0.399) 8.167 3.566 ( 11.277 0.000 -13.761) 17.791 3.755 ( -0.950 0.000 -1.865) 2.093 3.892 ( 5.373 0.000 -6.694) 8.584 3.960 ( 11.667 0.000 0.323) 11.672 4.065 ( -4.810 0.000 0.406) 4.827 4.124 ( 5.276 0.000 2.390) 5.792 4.212 ( -1.180 0.000 -0.335) 1.226 4.327 ( 2.286 0.000 1.135) 2.552 4.416 ( 2.207 0.000 2.706) 3.492 4.463 ( 3.607 0.000 -3.579) 5.081 4.474 ( 7.991 0.000 -0.159) 7.992 4.576 ( 1.362 0.000 -3.486) 3.743 4.649 ( 3.547 0.000 -4.401) 5.653 4.820 ( -6.622 0.000 -2.161) 6.966 4.876 ( -2.703 0.000 -3.403) 4.346 5.005 ( -6.610 0.000 3.407) 7.436 5.062 ( -2.385 0.000 -4.250) 4.873 5.144 ( 3.799 0.000 2.686) 4.652 5.223 ( -4.296 0.000 -0.400) 4.314 5.259 ( 5.035 0.000 3.188) 5.960 5.504 ( 14.261 0.000 -1.872) 14.384 6.339 ( -1.957 0.000 -2.604) 3.257 6.522 ( -1.402 0.000 -5.172) 5.359 6.565 ( -8.526 0.000 -5.891) 10.363 6.635 ( -10.192 0.000 -8.905) 13.534 6.956 ( -5.901 0.000 10.667) 12.191 7.092 ( -9.618 0.000 4.988) 10.834 7.269 ( 15.067 0.000 4.125) 15.622 7.731 ( 5.548 0.000 -3.953) 6.812 8.052 ( -3.245 0.000 7.219) 7.914 8.134 ( -5.474 0.000 2.473) 6.007 9.880 ( 40.271 0.000 0.515) 40.274 10.030 ( 38.946 0.000 -1.038) 38.960 10.783 ( 10.785 0.000 1.861) 10.944 11.197 ( 12.890 0.000 -3.087) 13.255 11.826 ( 42.724 0.000 0.857) 42.733 12.078 ( -7.125 0.000 6.665) 9.756 12.920 ( -13.384 0.000 0.510) 13.394 13.034 ( -11.455 0.000 -1.741) 11.587 13.259 ( -13.624 0.000 -5.676) 14.759 13.316 ( 22.924 0.000 -27.809) 36.040 13.604 ( 2.973 0.000 0.117) 2.975 13.691 ( 7.131 0.000 -9.490) 11.871 14.182 ( -3.685 0.000 0.030) 3.685 14.313 ( -4.440 0.000 -3.299) 5.532 14.532 ( -3.622 0.000 1.400) 3.884 14.748 ( -6.649 0.000 3.224) 7.389 16.995 ( 2.839 0.000 4.383) 5.222 17.131 ( -5.006 0.000 15.297) 16.095 17.259 ( -2.937 0.000 0.600) 2.998 17.437 ( -5.224 0.000 2.419) 5.757======================= Grid point 48 (19/60) =======================q-point: ( 0.38 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.089 ( 17.564 0.000 4.804) 18.209 1.159 ( 18.492 0.000 -4.072) 18.935 1.611 ( 5.784 0.000 -1.695) 6.028 1.773 ( -12.159 0.000 -0.321) 12.163 1.843 ( -9.496 0.000 6.673) 11.606 1.874 ( -5.391 0.000 1.928) 5.726 1.930 ( 5.674 0.000 -3.001) 6.419 2.188 ( 0.694 0.000 -3.740) 3.803 2.273 ( -4.013 0.000 -3.364) 5.236 2.513 ( -7.528 0.000 2.712) 8.002 2.552 ( -0.033 0.000 3.697) 3.697 2.663 ( -0.000 0.000 0.837) 0.837 2.743 ( 1.815 0.000 -1.297) 2.231 2.858 ( 3.795 0.000 1.958) 4.271 2.905 ( -9.559 0.000 8.618) 12.870 2.910 ( 4.309 0.000 5.731) 7.170 2.964 ( -8.452 0.000 1.590) 8.600 3.128 ( 20.912 0.000 1.975) 21.005 3.230 ( 28.147 0.000 3.510) 28.365 3.333 ( -9.639 0.000 -0.066) 9.640 3.592 ( 3.556 0.000 4.233) 5.528 3.665 ( -0.098 0.000 -4.842) 4.843 3.869 ( -10.700 0.000 -0.004) 10.700 3.869 ( 9.677 0.000 -10.527) 14.299 4.029 ( 2.597 0.000 -7.454) 7.894 4.143 ( -4.473 0.000 0.426) 4.493 4.161 ( -0.359 0.000 -6.116) 6.127 4.209 ( 8.138 0.000 -0.278) 8.142 4.379 ( 2.487 0.000 5.538) 6.071 4.443 ( -7.032 0.000 3.304) 7.770 4.532 ( -0.395 0.000 -2.665) 2.695 4.589 ( 2.903 0.000 2.353) 3.737 4.592 ( 2.900 0.000 -3.697) 4.699 4.648 ( 6.392 0.000 -5.889) 8.691 4.750 ( -2.306 0.000 -2.336) 3.282 4.830 ( -1.833 0.000 -4.646) 4.995 4.858 ( -6.425 0.000 -0.272) 6.431 4.981 ( -5.331 0.000 -1.566) 5.556 5.110 ( -2.847 0.000 2.022) 3.492 5.119 ( -1.654 0.000 2.814) 3.264 5.602 ( 19.186 0.000 0.883) 19.207 5.803 ( 14.230 0.000 -3.560) 14.669 6.334 ( 1.648 0.000 0.556) 1.739 6.347 ( -12.833 0.000 -5.009) 13.776 6.372 ( -13.938 0.000 -5.999) 15.174 6.481 ( -2.873 0.000 0.417) 2.903 6.844 ( -3.833 0.000 5.996) 7.116 6.922 ( -6.603 0.000 4.128) 7.787 7.560 ( 12.647 0.000 2.455) 12.883 7.835 ( 4.299 0.000 -2.519) 4.982 7.973 ( -5.635 0.000 3.340) 6.551 8.021 ( -4.395 0.000 2.713) 5.165 10.710 ( 35.676 0.000 0.199) 35.677 10.804 ( 33.307 0.000 -1.174) 33.328 11.025 ( 12.047 0.000 2.462) 12.296 11.429 ( 7.113 0.000 -2.891) 7.678 11.941 ( -4.316 0.000 6.078) 7.454 12.550 ( -22.294 0.000 0.972) 22.315 12.688 ( 37.940 0.000 1.016) 37.953 12.792 ( -9.745 0.000 -2.135) 9.976 12.961 ( -14.184 0.000 -5.111) 15.077 13.540 ( -0.211 0.000 -2.045) 2.056 13.686 ( 5.767 0.000 -1.072) 5.866 13.832 ( 3.807 0.000 -10.568) 11.233 14.102 ( -3.112 0.000 0.186) 3.118 14.201 ( -6.204 0.000 -1.208) 6.321 14.478 ( -0.588 0.000 -4.035) 4.078 14.624 ( -5.310 0.000 -1.288) 5.464 17.062 ( 2.998 0.000 4.223) 5.179 17.108 ( 2.268 0.000 6.603) 6.982 17.191 ( -3.408 0.000 1.409) 3.688 17.320 ( -5.879 0.000 1.904) 6.180======================= Grid point 49 (20/60) =======================q-point: (-0.50 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.454 ( -17.157 0.000 2.778) 17.380 1.454 ( 17.157 0.000 2.778) 17.380 1.538 ( -17.247 0.000 -0.395) 17.252 1.538 ( 17.247 0.000 -0.395) 17.252 1.748 ( -6.672 0.000 -0.173) 6.674 1.748 ( 6.672 0.000 -0.173) 6.674 2.077 ( -7.591 0.000 -3.963) 8.563 2.077 ( 7.591 0.000 -3.963) 8.563 2.349 ( -7.373 0.000 -0.133) 7.374 2.349 ( 7.373 0.000 -0.133) 7.374 2.616 ( -5.438 0.000 5.854) 7.990 2.616 ( 5.438 0.000 5.854) 7.990 2.801 ( -3.541 0.000 1.869) 4.004 2.801 ( 3.541 0.000 1.869) 4.004 2.814 ( -4.183 0.000 3.754) 5.621 2.814 ( 4.183 0.000 3.754) 5.621 3.124 ( -10.585 0.000 1.723) 10.725 3.124 ( 10.585 0.000 1.723) 10.725 3.552 ( -18.040 0.000 1.223) 18.082 3.552 ( 18.040 0.000 1.223) 18.082 3.645 ( -1.711 0.000 -0.625) 1.821 3.645 ( 1.711 0.000 -0.625) 1.821 3.817 ( -22.514 0.000 0.033) 22.514 3.817 ( 22.514 0.000 0.033) 22.514 4.055 ( -7.654 0.000 -9.057) 11.858 4.055 ( 7.654 0.000 -9.057) 11.858 4.198 ( -8.510 0.000 -2.993) 9.021 4.198 ( 8.510 0.000 -2.993) 9.021 4.356 ( -4.670 0.000 1.401) 4.876 4.356 ( 4.670 0.000 1.401) 4.876 4.615 ( -4.440 0.000 3.477) 5.639 4.615 ( 4.440 0.000 3.477) 5.639 4.685 ( -4.330 0.000 -3.345) 5.472 4.685 ( 4.330 0.000 -3.345) 5.472 4.745 ( -4.572 0.000 -5.382) 7.062 4.745 ( 4.572 0.000 -5.382) 7.062 4.857 ( -5.591 0.000 -0.914) 5.665 4.857 ( 5.591 0.000 -0.914) 5.665 5.095 ( -0.658 0.000 2.075) 2.176 5.095 ( 0.658 0.000 2.075) 2.176 5.984 ( -14.363 0.000 -4.099) 14.936 5.984 ( 14.363 0.000 -4.099) 14.936 6.113 ( -9.298 0.000 -2.909) 9.742 6.113 ( 9.298 0.000 -2.909) 9.742 6.401 ( -4.279 0.000 3.255) 5.376 6.401 ( 4.279 0.000 3.255) 5.376 6.827 ( -2.224 0.000 3.137) 3.845 6.827 ( 2.224 0.000 3.137) 3.845 7.789 ( -9.246 0.000 2.373) 9.546 7.789 ( 9.246 0.000 2.373) 9.546 7.942 ( -3.606 0.000 0.104) 3.607 7.942 ( 3.606 0.000 0.104) 3.607 11.134 ( -2.037 0.000 -0.018) 2.037 11.134 ( 2.037 0.000 -0.018) 2.037 11.374 ( -14.742 0.000 0.292) 14.745 11.374 ( 14.742 0.000 0.292) 14.745 12.066 ( -19.535 0.000 2.994) 19.764 12.066 ( 19.535 0.000 2.994) 19.764 12.735 ( -5.423 0.000 -3.971) 6.721 12.735 ( 5.423 0.000 -3.971) 6.721 13.320 ( -21.380 0.000 0.914) 21.399 13.320 ( 21.380 0.000 0.914) 21.399 13.807 ( -4.815 0.000 -2.571) 5.458 13.807 ( 4.815 0.000 -2.571) 5.458 14.096 ( -2.719 0.000 0.168) 2.725 14.096 ( 2.719 0.000 0.168) 2.725 14.523 ( -4.224 0.000 -5.760) 7.143 14.523 ( 4.224 0.000 -5.760) 7.143 17.120 ( -2.995 0.000 3.146) 4.344 17.120 ( 2.995 0.000 3.146) 4.344 17.200 ( -5.421 0.000 2.539) 5.986 17.200 ( 5.421 0.000 2.539) 5.986======================= Grid point 54 (21/60) =======================q-point: ( 0.00 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.475 ( 0.000 10.807 12.415) 16.459 0.514 ( 0.000 9.893 14.980) 17.952 0.952 ( 0.000 24.427 18.643) 30.728 1.234 ( 0.000 -4.273 2.989) 5.215 1.301 ( 0.000 -11.525 2.771) 11.854 1.822 ( 0.000 13.360 -3.168) 13.731 2.009 ( 0.000 3.549 -6.787) 7.659 2.127 ( 0.000 0.958 -4.931) 5.023 2.375 ( 0.000 2.241 2.860) 3.633 2.454 ( 0.000 -1.629 -11.341) 11.457 2.545 ( 0.000 -1.354 6.569) 6.707 2.663 ( 0.000 -1.408 8.526) 8.641 2.720 ( 0.000 1.570 2.516) 2.966 2.844 ( 0.000 6.270 3.445) 7.154 2.916 ( 0.000 -0.384 -4.189) 4.207 2.954 ( 0.000 2.781 6.741) 7.292 3.009 ( 0.000 1.083 -7.042) 7.124 3.113 ( 0.000 -2.020 -1.592) 2.572 3.371 ( 0.000 -9.413 0.737) 9.442 3.408 ( 0.000 0.660 12.910) 12.927 3.577 ( 0.000 -9.681 -2.268) 9.943 3.642 ( 0.000 -3.265 4.796) 5.802 3.752 ( 0.000 -2.046 -3.732) 4.256 3.901 ( 0.000 -6.486 -6.927) 9.489 3.935 ( 0.000 -2.120 1.631) 2.675 3.998 ( 0.000 1.794 -0.153) 1.800 4.086 ( 0.000 -0.596 -0.095) 0.603 4.116 ( 0.000 -5.310 2.229) 5.759 4.156 ( 0.000 3.269 5.101) 6.058 4.231 ( 0.000 0.926 -0.199) 0.947 4.325 ( 0.000 2.718 1.132) 2.944 4.395 ( 0.000 5.559 1.104) 5.667 4.473 ( 0.000 -1.678 -0.393) 1.723 4.787 ( 0.000 -6.029 -2.755) 6.629 4.898 ( 0.000 -2.657 1.628) 3.116 4.967 ( 0.000 -1.328 -4.257) 4.459 4.973 ( 0.000 -0.632 -3.829) 3.881 5.023 ( 0.000 -3.612 -2.030) 4.143 5.096 ( 0.000 10.303 -3.613) 10.918 5.232 ( 0.000 4.984 -2.853) 5.743 5.368 ( 0.000 0.998 -3.948) 4.072 5.462 ( 0.000 -2.193 -1.948) 2.933 6.448 ( 0.000 1.563 -2.132) 2.644 6.560 ( 0.000 -0.170 -10.030) 10.032 6.578 ( 0.000 0.165 -1.368) 1.378 6.603 ( 0.000 -0.327 -2.230) 2.254 6.994 ( 0.000 -0.190 5.505) 5.509 7.038 ( 0.000 -3.119 9.184) 9.699 7.488 ( 0.000 4.893 4.985) 6.985 7.646 ( 0.000 10.999 -0.753) 11.025 8.232 ( 0.000 -3.068 0.787) 3.168 8.282 ( 0.000 -18.787 13.233) 22.979 8.906 ( 0.000 0.195 0.036) 0.199 8.919 ( 0.000 -0.148 -0.048) 0.156 10.569 ( 0.000 3.587 1.475) 3.878 10.720 ( 0.000 -0.096 0.147) 0.175 10.724 ( 0.000 0.070 0.308) 0.316 10.856 ( 0.000 -2.568 -0.852) 2.706 12.809 ( 0.000 34.171 -28.254) 44.339 13.200 ( 0.000 1.396 0.231) 1.415 13.271 ( 0.000 -0.837 -1.873) 2.052 13.474 ( 0.000 -4.191 -5.044) 6.558 13.595 ( 0.000 4.841 -2.416) 5.411 13.635 ( 0.000 3.536 -3.004) 4.639 14.269 ( 0.000 1.202 -0.761) 1.423 14.394 ( 0.000 -0.511 -4.300) 4.330 14.656 ( 0.000 0.037 4.051) 4.051 14.892 ( 0.000 -7.591 4.250) 8.700 16.951 ( 0.000 1.442 7.520) 7.657 17.338 ( 0.000 1.627 0.185) 1.637 17.490 ( 0.000 -1.937 2.480) 3.147 17.497 ( 0.000 -27.943 24.031) 36.855======================= Grid point 55 (22/60) =======================q-point: ( 0.12 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.547 ( 10.817 9.638 5.121) 15.366 0.814 ( 9.407 20.838 9.006) 24.573 1.253 ( 29.605 7.521 13.457) 33.379 1.331 ( 3.743 -11.030 1.410) 11.733 1.500 ( 21.274 -3.415 2.952) 21.747 1.838 ( 2.003 11.444 -2.957) 11.988 2.045 ( 0.848 4.209 -8.368) 9.405 2.206 ( 6.016 -0.051 -1.767) 6.270 2.345 ( -0.203 1.798 3.122) 3.609 2.473 ( 0.508 0.542 -8.469) 8.502 2.530 ( -1.974 -1.317 7.418) 7.788 2.603 ( -3.517 -0.958 6.574) 7.517 2.671 ( -3.590 -0.526 3.162) 4.813 2.848 ( -2.787 1.477 -6.226) 6.979 2.857 ( -3.640 3.883 9.290) 10.707 2.876 ( -2.902 3.143 -2.572) 4.991 3.029 ( -0.357 3.246 -1.387) 3.548 3.203 ( 2.529 -7.015 -4.552) 8.736 3.356 ( 4.812 -1.533 4.865) 7.013 3.424 ( 1.474 1.239 7.605) 7.845 3.506 ( -8.447 -7.089 1.978) 11.203 3.695 ( 4.653 -5.320 0.462) 7.083 3.721 ( -10.097 1.587 0.904) 10.261 3.794 ( 1.294 -3.240 -5.010) 6.105 3.824 ( -4.112 -0.745 -2.286) 4.764 4.004 ( -1.257 -1.364 2.897) 3.440 4.062 ( 2.949 -5.549 -1.652) 6.497 4.180 ( 4.327 -5.336 1.692) 7.075 4.251 ( 1.355 1.273 2.555) 3.160 4.279 ( 3.815 2.852 -1.965) 5.152 4.379 ( 3.282 1.069 0.898) 3.567 4.438 ( 4.980 0.803 -1.917) 5.397 4.530 ( 4.417 0.542 -2.112) 4.926 4.645 ( -5.280 0.507 3.165) 6.177 4.928 ( 3.300 2.204 -2.008) 4.447 4.933 ( -2.653 -0.063 -3.244) 4.191 4.984 ( 1.917 1.205 -1.211) 2.567 5.048 ( -0.965 0.952 -0.181) 1.368 5.186 ( 9.797 -0.468 -1.874) 9.986 5.195 ( -2.016 3.865 -2.079) 4.829 5.305 ( -5.060 0.580 -1.241) 5.243 5.391 ( -6.001 -2.005 -0.942) 6.397 6.415 ( -2.696 1.834 -2.871) 4.344 6.550 ( -0.770 -0.042 -8.707) 8.741 6.667 ( 2.356 0.671 -7.329) 7.727 6.722 ( 1.461 -2.495 -8.614) 9.087 6.993 ( 5.048 -0.367 8.018) 9.482 7.055 ( -1.154 -0.906 9.777) 9.887 7.358 ( -9.312 5.066 5.860) 12.113 7.639 ( 1.051 2.410 -0.171) 2.635 8.102 ( -6.505 -5.668 10.605) 13.671 8.199 ( -3.041 -2.803 1.198) 4.306 9.193 ( 26.445 2.234 0.040) 26.539 9.290 ( 29.669 0.178 -0.880) 29.682 10.639 ( 6.518 3.852 1.492) 7.717 10.927 ( 9.059 -3.411 -2.214) 9.929 11.063 ( 30.206 2.145 0.669) 30.289 11.666 ( 43.228 -26.748 -7.029) 51.317 12.922 ( 12.949 22.976 -36.197) 44.786 13.135 ( -6.147 1.556 0.090) 6.341 13.210 ( -5.980 -0.851 -1.769) 6.294 13.443 ( -4.654 -3.793 -7.933) 9.949 13.592 ( -0.877 3.106 -0.040) 3.228 13.625 ( 1.736 3.595 -2.722) 4.832 14.250 ( -1.857 1.230 -0.640) 2.318 14.376 ( -1.879 -0.528 -4.337) 4.756 14.609 ( -3.812 -0.018 4.293) 5.741 14.821 ( -5.708 -6.384 5.619) 10.243 16.962 ( 1.109 1.132 6.753) 6.936 17.258 ( -11.854 -9.465 20.992) 25.899 17.323 ( -1.998 1.235 1.328) 2.698 17.491 ( -2.545 -3.957 3.483) 5.853======================= Grid point 56 (23/60) =======================q-point: ( 0.25 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.835 ( 16.008 6.138 -2.155) 17.279 0.987 ( 9.634 19.982 6.036) 22.990 1.414 ( 5.177 -9.272 -1.229) 10.690 1.767 ( 11.428 -2.122 4.462) 12.451 1.893 ( 9.253 4.619 3.684) 10.978 1.932 ( 6.243 5.226 1.480) 8.276 2.025 ( -3.257 3.977 -4.597) 6.897 2.192 ( -3.339 -0.189 -1.171) 3.543 2.411 ( -1.274 1.866 -5.004) 5.490 2.514 ( 6.989 0.658 3.946) 8.052 2.538 ( 2.187 -0.897 2.877) 3.724 2.623 ( 5.837 -1.518 4.639) 7.609 2.665 ( 9.331 -0.700 2.652) 9.726 2.773 ( -3.184 -0.227 -0.254) 3.202 2.782 ( -2.751 3.385 7.659) 8.814 2.823 ( 0.917 4.650 -6.176) 7.785 3.014 ( -1.039 5.552 1.593) 5.869 3.135 ( -6.629 -4.614 0.717) 8.109 3.239 ( -14.676 -2.025 7.331) 16.530 3.491 ( 4.750 -0.715 9.036) 10.233 3.526 ( -6.575 -0.104 -0.614) 6.604 3.564 ( 7.337 -0.584 -11.825) 13.928 3.689 ( -2.994 -5.434 -1.748) 6.446 3.826 ( 7.329 -8.654 -1.736) 11.472 3.942 ( 6.959 -1.656 -4.995) 8.724 4.044 ( -2.208 -1.424 1.972) 3.285 4.072 ( 4.538 -1.835 0.402) 4.912 4.260 ( 0.143 0.197 -2.452) 2.464 4.280 ( 3.270 -1.684 3.503) 5.079 4.365 ( 5.250 -3.618 -0.037) 6.376 4.441 ( 3.225 1.875 -0.017) 3.730 4.530 ( 3.803 0.007 -4.342) 5.772 4.588 ( 1.021 1.223 -1.498) 2.187 4.654 ( 2.921 0.209 -2.509) 3.856 4.877 ( -3.221 3.693 -2.444) 5.477 4.889 ( -3.191 1.860 -3.107) 4.826 4.995 ( -4.065 0.624 2.246) 4.686 5.087 ( -4.216 2.013 -3.625) 5.914 5.154 ( -0.247 0.575 2.547) 2.623 5.217 ( -7.491 -1.203 -0.152) 7.588 5.276 ( 10.602 2.313 2.066) 11.046 5.479 ( 14.154 -2.515 -1.678) 14.473 6.360 ( -2.164 2.087 -2.264) 3.764 6.528 ( -1.699 -0.331 -5.987) 6.232 6.592 ( -8.252 1.899 -6.274) 10.539 6.625 ( -7.843 0.494 -7.906) 11.147 6.963 ( -6.320 0.542 9.864) 11.728 7.061 ( -6.090 -2.677 5.183) 8.433 7.327 ( 10.480 5.477 4.524) 12.661 7.705 ( 4.609 -3.215 -1.462) 5.806 8.027 ( -2.331 -1.736 5.685) 6.385 8.113 ( -5.157 -2.103 2.229) 5.999 9.904 ( 39.787 2.357 0.312) 39.858 10.027 ( 38.768 -0.452 -0.957) 38.782 10.826 ( 10.982 4.348 1.530) 11.910 11.161 ( 12.812 -3.772 -2.420) 13.573 11.845 ( 40.616 1.949 1.093) 40.678 12.048 ( 1.840 -3.008 5.174) 6.261 12.932 ( -13.247 1.171 0.382) 13.305 13.023 ( -11.701 -1.063 -1.475) 11.841 13.260 ( -11.049 0.158 -8.251) 13.791 13.310 ( 18.369 -0.648 -26.135) 31.951 13.615 ( 2.516 1.137 1.040) 2.950 13.696 ( 4.822 0.094 -6.041) 7.731 14.194 ( -3.443 1.452 -0.353) 3.753 14.314 ( -3.910 -0.006 -3.738) 5.409 14.523 ( -4.384 -0.701 2.286) 4.993 14.692 ( -6.240 -5.227 4.156) 9.140 17.000 ( 2.595 0.544 5.061) 5.714 17.104 ( -3.177 -2.494 13.861) 14.437 17.272 ( -3.041 1.441 0.653) 3.428 17.414 ( -4.661 -2.223 2.050) 5.556======================= Grid point 57 (24/60) =======================q-point: ( 0.38 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.185 ( 17.211 2.879 -3.790) 17.857 1.232 ( 13.710 13.671 4.000) 19.771 1.543 ( 7.170 -6.152 -2.123) 9.684 1.833 ( -6.781 1.664 0.854) 7.035 1.848 ( -8.896 1.960 4.366) 10.101 1.867 ( -9.275 1.636 2.867) 9.845 1.985 ( 3.334 3.613 -2.914) 5.715 2.169 ( -0.819 -2.226 -3.281) 4.049 2.343 ( -1.852 7.010 -2.936) 7.823 2.506 ( -3.256 0.820 4.213) 5.387 2.580 ( -2.584 2.594 3.156) 4.834 2.656 ( 0.946 -0.980 0.795) 1.577 2.746 ( 1.440 -0.277 0.531) 1.559 2.839 ( -1.359 -0.861 0.168) 1.618 2.885 ( -3.795 -0.852 6.114) 7.246 2.930 ( 5.923 0.857 4.434) 7.448 2.954 ( -8.938 -0.361 4.234) 9.897 3.193 ( 16.738 5.560 0.927) 17.662 3.214 ( 26.422 -1.616 3.362) 26.684 3.346 ( -8.305 1.269 0.468) 8.415 3.576 ( 3.016 -3.610 0.928) 4.795 3.619 ( -0.395 -3.411 -1.006) 3.578 3.777 ( 7.305 -5.786 -9.417) 13.248 3.903 ( -8.923 -0.088 -0.283) 8.928 3.974 ( 6.264 -7.715 -3.183) 10.435 4.016 ( -0.910 -5.090 -4.154) 6.632 4.178 ( -3.002 -0.344 -4.380) 5.321 4.237 ( -1.786 -0.544 3.869) 4.296 4.313 ( 2.313 -1.010 -1.326) 2.851 4.458 ( 1.536 -0.410 2.580) 3.030 4.538 ( 6.337 -1.605 -4.116) 7.725 4.591 ( -1.006 2.667 0.099) 2.852 4.622 ( 2.938 -1.234 -6.205) 6.975 4.654 ( 3.382 3.723 -0.023) 5.030 4.819 ( -5.090 2.587 -1.178) 5.830 4.840 ( -0.391 4.170 -2.918) 5.105 4.899 ( -4.445 3.681 -0.728) 5.817 4.965 ( -5.736 -1.566 -1.513) 6.136 5.094 ( -3.328 -1.749 1.394) 4.009 5.112 ( -1.982 -0.938 2.363) 3.224 5.621 ( 18.557 1.999 0.354) 18.667 5.780 ( 14.498 -2.222 -3.187) 15.010 6.302 ( -6.398 -0.893 -2.089) 6.789 6.349 ( -14.420 -1.005 -5.390) 15.427 6.440 ( -3.182 5.773 -2.707) 7.126 6.531 ( -1.931 4.486 -0.597) 4.921 6.833 ( -4.904 -1.129 6.255) 8.028 6.908 ( -6.842 -1.632 4.417) 8.306 7.579 ( 11.723 1.985 2.340) 12.118 7.807 ( 4.863 -3.044 -1.488) 5.927 7.960 ( -5.264 -1.037 3.011) 6.153 8.001 ( -4.704 -1.827 2.450) 5.610 10.723 ( 35.399 1.360 0.167) 35.425 10.803 ( 33.786 -0.265 -0.842) 33.797 11.065 ( 11.267 4.240 1.835) 12.177 11.397 ( 7.718 -3.424 -2.205) 8.727 11.993 ( -2.968 5.518 5.103) 8.080 12.548 ( 11.328 -8.286 0.421) 14.041 12.573 ( -13.598 -0.382 1.141) 13.651 12.765 ( -11.405 -3.139 -1.128) 11.883 13.101 ( 3.042 11.642 -6.379) 13.619 13.560 ( 3.228 1.402 -3.774) 5.160 13.682 ( 4.809 -0.474 -1.135) 4.964 13.800 ( 3.534 -3.305 -7.718) 9.109 14.122 ( -2.672 2.209 -0.316) 3.481 14.219 ( -5.415 1.812 -1.993) 6.047 14.441 ( -2.269 -3.585 -2.264) 4.810 14.572 ( -5.420 -5.120 -0.807) 7.499 17.063 ( 3.045 0.211 4.359) 5.322 17.101 ( 2.562 -0.719 6.205) 6.752 17.201 ( -3.632 1.084 1.402) 4.041 17.306 ( -5.572 -1.488 1.797) 6.041======================= Grid point 58 (25/60) =======================q-point: (-0.50 0.20 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( -2.729 2.433 1.510) 3.956 1.479 ( 2.729 2.433 1.510) 3.956 1.615 ( -4.292 7.485 0.196) 8.630 1.615 ( 4.292 7.485 0.196) 8.630 1.718 ( -7.049 -2.630 0.189) 7.526 1.718 ( 7.049 -2.630 0.189) 7.526 2.091 ( -5.633 -0.572 -3.699) 6.763 2.091 ( 5.633 -0.572 -3.699) 6.763 2.394 ( -5.589 5.896 0.792) 8.162 2.394 ( 5.589 5.896 0.792) 8.162 2.624 ( -5.414 0.884 5.513) 7.777 2.624 ( 5.414 0.884 5.513) 7.777 2.763 ( -1.953 -2.384 1.160) 3.293 2.763 ( 1.953 -2.384 1.160) 3.293 2.835 ( -0.526 0.145 3.794) 3.833 2.835 ( 0.526 0.145 3.794) 3.833 3.138 ( -10.249 1.747 1.699) 10.535 3.138 ( 10.249 1.747 1.699) 10.535 3.544 ( -7.087 -3.012 -1.224) 7.797 3.544 ( 7.087 -3.012 -1.224) 7.797 3.621 ( -10.628 -0.617 1.148) 10.708 3.621 ( 10.628 -0.617 1.148) 10.708 3.830 ( -18.051 0.754 -0.508) 18.074 3.830 ( 18.051 0.754 -0.508) 18.074 3.976 ( -7.035 -6.595 -5.371) 11.038 3.976 ( 7.035 -6.595 -5.371) 11.038 4.108 ( -6.002 -6.408 -2.690) 9.183 4.108 ( 6.002 -6.408 -2.690) 9.183 4.415 ( -4.412 4.249 -0.092) 6.126 4.415 ( 4.412 4.249 -0.092) 6.126 4.635 ( -1.997 -1.806 -3.724) 4.596 4.635 ( 1.997 -1.806 -3.724) 4.596 4.682 ( -6.879 2.938 0.389) 7.490 4.682 ( 6.879 2.938 0.389) 7.490 4.779 ( -5.516 2.403 -2.874) 6.668 4.779 ( 5.516 2.403 -2.874) 6.668 4.868 ( -3.035 1.544 -0.678) 3.472 4.868 ( 3.035 1.544 -0.678) 3.472 5.079 ( -1.060 -1.779 1.483) 2.547 5.079 ( 1.060 -1.779 1.483) 2.547 5.993 ( -13.519 0.886 -4.013) 14.129 5.993 ( 13.519 0.886 -4.013) 14.129 6.088 ( -8.988 -2.083 -2.709) 9.616 6.088 ( 8.988 -2.083 -2.709) 9.616 6.470 ( -3.620 6.453 2.900) 7.948 6.470 ( 3.620 6.453 2.900) 7.948 6.805 ( -2.392 -2.407 3.088) 4.588 6.805 ( 2.392 -2.407 3.088) 4.588 7.794 ( -8.751 0.533 2.229) 9.046 7.794 ( 8.751 0.533 2.229) 9.046 7.915 ( -4.005 -2.602 0.360) 4.789 7.915 ( 4.005 -2.602 0.360) 4.789 11.164 ( -3.486 3.011 -0.053) 4.607 11.164 ( 3.486 3.011 -0.053) 4.607 11.357 ( -13.854 -1.773 0.237) 13.969 11.357 ( 13.854 -1.773 0.237) 13.969 12.112 ( -17.724 4.809 2.562) 18.542 12.112 ( 17.724 4.809 2.562) 18.542 12.631 ( -1.586 -9.429 -2.496) 9.882 12.631 ( 1.586 -9.429 -2.496) 9.882 13.419 ( -16.025 8.773 -0.420) 18.274 13.419 ( 16.025 8.773 -0.420) 18.274 13.790 ( -3.967 -1.935 -2.507) 5.076 13.790 ( 3.967 -1.935 -2.507) 5.076 14.119 ( -2.755 2.559 -0.168) 3.764 14.119 ( 2.755 2.559 -0.168) 3.764 14.467 ( -4.164 -5.637 -4.980) 8.598 14.467 ( 4.164 -5.637 -4.980) 8.598 17.126 ( -3.238 0.652 3.035) 4.486 17.126 ( 3.238 0.652 3.035) 4.486 17.191 ( -5.187 -0.938 2.546) 5.854 17.191 ( 5.187 -0.938 2.546) 5.854======================= Grid point 63 (26/60) =======================q-point: ( 0.00 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.720 ( 0.000 13.983 5.587) 15.058 0.732 ( 0.000 11.948 8.504) 14.665 0.993 ( 0.000 -10.103 7.070) 12.331 1.041 ( 0.000 -14.688 4.163) 15.267 1.557 ( 0.000 27.201 8.812) 28.593 1.935 ( 0.000 -7.991 3.061) 8.557 2.080 ( 0.000 3.499 -6.420) 7.311 2.129 ( 0.000 -1.451 -5.924) 6.099 2.393 ( 0.000 -1.252 -2.441) 2.743 2.396 ( 0.000 0.063 2.002) 2.003 2.562 ( 0.000 3.215 3.304) 4.610 2.625 ( 0.000 -2.731 5.427) 6.076 2.792 ( 0.000 5.466 -0.284) 5.474 2.885 ( 0.000 -3.419 -1.187) 3.620 3.000 ( 0.000 9.679 7.920) 12.507 3.040 ( 0.000 2.073 -6.598) 6.916 3.043 ( 0.000 5.957 -0.965) 6.035 3.099 ( 0.000 2.898 -3.195) 4.313 3.183 ( 0.000 -10.241 7.480) 12.682 3.344 ( 0.000 -15.432 -6.106) 16.596 3.452 ( 0.000 4.294 9.979) 10.864 3.562 ( 0.000 -6.207 4.305) 7.554 3.712 ( 0.000 -0.025 -4.281) 4.281 3.778 ( 0.000 -5.864 -7.098) 9.207 3.917 ( 0.000 2.268 5.216) 5.688 3.997 ( 0.000 -5.485 3.552) 6.534 4.038 ( 0.000 2.297 -1.592) 2.794 4.077 ( 0.000 -1.685 -0.638) 1.802 4.223 ( 0.000 2.743 3.322) 4.308 4.245 ( 0.000 0.176 1.170) 1.183 4.389 ( 0.000 3.904 3.849) 5.482 4.449 ( 0.000 -1.896 2.814) 3.394 4.495 ( 0.000 5.110 -2.740) 5.799 4.611 ( 0.000 -8.087 -1.157) 8.169 4.901 ( 0.000 1.238 -1.947) 2.307 4.934 ( 0.000 -1.975 -2.967) 3.564 4.963 ( 0.000 -0.237 -2.782) 2.792 4.973 ( 0.000 -1.492 -1.344) 2.008 5.286 ( 0.000 7.532 -7.194) 10.415 5.324 ( 0.000 4.621 -3.687) 5.912 5.367 ( 0.000 -1.676 -5.264) 5.524 5.406 ( 0.000 -3.738 -3.352) 5.021 6.488 ( 0.000 2.511 -3.272) 4.124 6.535 ( 0.000 -2.247 -6.378) 6.762 6.583 ( 0.000 0.402 -1.403) 1.459 6.593 ( 0.000 -0.607 -1.656) 1.764 6.993 ( 0.000 0.145 5.157) 5.159 7.002 ( 0.000 -0.983 5.925) 6.006 7.612 ( 0.000 7.736 7.928) 11.077 7.736 ( 0.000 -2.945 7.627) 8.175 8.090 ( 0.000 -0.857 4.493) 4.574 8.154 ( 0.000 -4.896 0.601) 4.933 8.910 ( 0.000 0.259 0.064) 0.267 8.915 ( 0.000 -0.262 0.029) 0.263 10.657 ( 0.000 5.221 0.660) 5.262 10.715 ( 0.000 -0.640 -0.278) 0.698 10.728 ( 0.000 0.536 0.794) 0.958 10.780 ( 0.000 -4.873 1.058) 4.986 13.191 ( 0.000 7.163 -13.033) 14.872 13.248 ( 0.000 -1.699 -2.251) 2.820 13.256 ( 0.000 6.622 -7.987) 10.375 13.384 ( 0.000 -5.608 -9.711) 11.214 13.685 ( 0.000 3.073 -5.724) 6.497 13.691 ( 0.000 1.921 -3.393) 3.899 14.312 ( 0.000 3.211 -3.011) 4.402 14.369 ( 0.000 -2.325 -4.740) 5.279 14.673 ( 0.000 2.285 5.926) 6.351 14.753 ( 0.000 -6.202 7.283) 9.566 17.001 ( 0.000 4.237 11.653) 12.399 17.137 ( 0.000 -11.452 19.593) 22.694 17.384 ( 0.000 2.889 0.918) 3.032 17.442 ( 0.000 -3.036 1.695) 3.477======================= Grid point 64 (27/60) =======================q-point: ( 0.12 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.782 ( 7.513 14.437 2.055) 16.404 1.052 ( 9.548 -10.092 1.221) 13.946 1.137 ( 16.868 6.331 6.358) 19.106 1.294 ( 22.322 -6.514 5.965) 24.006 1.644 ( 11.104 19.274 7.160) 23.367 1.934 ( 1.735 -6.021 1.876) 6.541 2.127 ( 0.984 3.645 -6.719) 7.707 2.184 ( 3.390 -2.385 -4.290) 5.966 2.386 ( 1.490 2.415 1.650) 3.282 2.429 ( 2.920 -3.036 1.161) 4.370 2.531 ( -2.700 1.814 5.067) 6.021 2.572 ( -3.733 -2.108 6.307) 7.626 2.740 ( -4.028 6.375 -1.394) 7.669 2.834 ( -4.058 -2.553 -2.252) 5.297 2.931 ( -3.823 4.454 3.069) 6.623 3.017 ( -4.079 6.692 0.983) 7.899 3.054 ( 1.583 -1.033 -4.237) 4.640 3.152 ( 3.093 7.052 -1.174) 7.790 3.264 ( 3.236 -8.866 2.890) 9.871 3.344 ( 1.315 -11.977 -6.641) 13.758 3.455 ( 1.427 2.996 10.009) 10.544 3.549 ( -1.301 -7.443 6.205) 9.777 3.708 ( -3.957 0.468 -1.185) 4.158 3.748 ( -5.779 -2.846 -2.548) 6.927 3.854 ( -0.050 3.813 -2.671) 4.656 3.942 ( 1.769 -5.491 -3.728) 6.869 4.025 ( -0.379 2.207 3.370) 4.046 4.086 ( 2.463 -4.239 2.063) 5.319 4.293 ( 2.115 2.138 2.587) 3.967 4.314 ( 2.603 0.293 -0.145) 2.623 4.407 ( 2.559 2.041 -0.801) 3.370 4.438 ( 1.805 -0.821 -2.493) 3.185 4.550 ( 3.420 1.428 -0.607) 3.756 4.594 ( 0.570 -3.471 2.407) 4.263 4.930 ( -1.159 0.276 -3.295) 3.504 4.944 ( -0.033 -0.969 -4.109) 4.221 5.020 ( 8.427 3.769 -0.106) 9.232 5.084 ( 7.402 -1.871 -1.162) 7.723 5.214 ( -2.001 5.143 -2.143) 5.920 5.275 ( -3.830 3.239 -2.559) 5.631 5.295 ( -5.813 -1.653 -2.364) 6.489 5.342 ( -5.319 -3.058 -1.910) 6.426 6.461 ( -2.102 2.968 -3.481) 5.035 6.520 ( -1.311 -2.935 -6.034) 6.837 6.682 ( 3.821 0.799 -7.470) 8.429 6.694 ( 3.069 -0.662 -7.665) 8.283 6.998 ( 2.685 0.990 6.979) 7.542 7.027 ( 0.941 -1.792 7.177) 7.457 7.481 ( -8.007 7.558 8.401) 13.850 7.615 ( -6.250 -5.391 8.196) 11.632 8.060 ( -1.674 1.828 3.012) 3.901 8.129 ( -2.263 -4.350 1.006) 5.006 9.239 ( 28.201 2.434 -0.367) 28.309 9.278 ( 29.290 -1.483 -0.756) 29.337 10.734 ( 7.094 5.868 0.719) 9.235 10.843 ( 8.106 -5.363 -0.771) 9.750 11.132 ( 34.357 5.705 0.307) 34.829 11.301 ( 40.864 -13.097 -1.396) 42.934 13.149 ( -5.103 2.790 -4.416) 7.302 13.186 ( -5.910 -1.541 -1.747) 6.353 13.233 ( -0.853 8.768 -17.942) 19.988 13.361 ( -2.811 -5.196 -12.510) 13.835 13.651 ( -2.108 2.725 -0.479) 3.478 13.674 ( -0.877 0.754 -2.582) 2.829 14.294 ( -1.771 3.250 -2.760) 4.617 14.351 ( -1.778 -2.323 -4.572) 5.428 14.625 ( -4.070 2.120 5.856) 7.440 14.699 ( -4.590 -5.696 7.054) 10.162 17.000 ( 0.143 3.108 10.153) 10.619 17.091 ( -3.053 -6.927 16.307) 17.978 17.365 ( -1.794 2.861 0.886) 3.491 17.425 ( -1.848 -3.329 1.642) 4.146======================= Grid point 65 (28/60) =======================q-point: ( 0.25 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.991 ( 12.214 10.296 -2.281) 16.137 1.205 ( 8.271 -11.952 -1.970) 14.668 1.384 ( 7.204 19.583 4.190) 21.283 1.664 ( 9.649 -9.744 3.903) 14.258 1.954 ( 8.478 4.096 5.530) 10.919 2.018 ( 2.734 -0.499 0.851) 2.906 2.106 ( -2.976 4.173 -3.735) 6.341 2.168 ( -3.242 -2.342 -2.765) 4.862 2.457 ( 3.485 2.653 2.882) 5.243 2.495 ( 4.148 -1.855 5.878) 7.430 2.566 ( 5.114 1.908 -1.435) 5.644 2.590 ( 6.725 -1.206 0.740) 6.872 2.694 ( 5.712 3.780 3.425) 7.658 2.758 ( -1.350 -1.800 1.317) 2.607 2.858 ( -3.145 4.678 4.912) 7.477 2.929 ( -2.897 1.882 -0.973) 3.590 3.045 ( -4.376 1.515 -1.242) 4.794 3.151 ( -6.005 3.647 0.669) 7.058 3.181 ( -3.768 -0.548 2.001) 4.301 3.383 ( 0.270 -12.377 -5.055) 13.372 3.532 ( -4.091 1.230 -0.647) 4.321 3.554 ( 6.473 0.537 2.147) 6.841 3.604 ( -4.428 -2.381 0.957) 5.117 3.657 ( 5.027 -6.641 3.702) 9.115 3.925 ( 3.036 1.223 -3.512) 4.801 3.983 ( -0.604 -4.215 -2.641) 5.010 4.107 ( 8.215 3.975 -0.439) 9.137 4.188 ( 7.582 -4.424 -1.828) 8.966 4.305 ( -0.855 1.222 2.908) 3.268 4.326 ( -0.367 -1.202 1.221) 1.753 4.476 ( 3.528 1.778 -4.459) 5.958 4.508 ( 3.480 -1.645 -5.866) 7.016 4.615 ( 2.733 1.740 -0.495) 3.278 4.646 ( 3.305 -1.162 -0.555) 3.547 4.904 ( -1.412 0.920 -1.722) 2.409 4.915 ( -1.887 -0.150 -0.784) 2.048 5.068 ( -4.186 5.235 0.448) 6.718 5.126 ( -3.989 1.281 -2.535) 4.897 5.146 ( -6.153 -0.865 1.151) 6.319 5.182 ( -7.730 -2.323 -1.165) 8.155 5.340 ( 13.353 4.048 0.503) 13.962 5.417 ( 14.003 -3.911 -0.910) 14.567 6.412 ( -2.648 3.371 -2.491) 4.958 6.482 ( -2.977 -3.726 -4.171) 6.336 6.634 ( -6.267 2.413 -8.053) 10.486 6.653 ( -4.789 0.790 -8.392) 9.695 6.975 ( -6.069 1.020 8.644) 10.611 7.009 ( -4.859 -2.523 6.581) 8.561 7.455 ( 6.346 7.746 4.740) 11.078 7.602 ( 4.331 -7.334 3.125) 9.073 8.021 ( -2.416 1.256 2.712) 3.843 8.063 ( -4.034 -2.837 1.966) 5.310 9.958 ( 39.041 2.967 -0.147) 39.154 10.005 ( 38.664 -1.921 -0.640) 38.717 10.934 ( 11.545 6.770 0.576) 13.396 11.062 ( 12.302 -6.408 -0.891) 13.899 11.899 ( 33.512 3.695 1.544) 33.751 11.976 ( 19.625 -4.277 2.742) 20.272 12.961 ( -12.914 1.837 -0.020) 13.044 12.996 ( -12.351 -1.758 -0.739) 12.497 13.270 ( -3.707 0.964 -14.419) 14.919 13.292 ( 7.666 -1.216 -21.400) 22.764 13.645 ( 1.559 1.950 2.302) 3.396 13.681 ( 1.725 -1.663 0.275) 2.411 14.242 ( -3.037 3.408 -2.060) 5.008 14.299 ( -3.009 -2.027 -3.856) 5.294 14.524 ( -5.637 1.453 3.928) 7.023 14.587 ( -5.849 -5.043 4.589) 8.984 17.018 ( 1.742 1.395 7.110) 7.452 17.054 ( -0.141 -2.463 10.405) 10.694 17.311 ( -3.391 2.543 0.926) 4.339 17.363 ( -3.921 -2.922 1.425) 5.093======================= Grid point 66 (29/60) =======================q-point: ( 0.38 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.270 ( 14.197 6.050 -3.202) 15.761 1.401 ( 10.380 -7.166 -2.679) 12.894 1.531 ( 7.134 14.947 2.954) 16.824 1.756 ( -0.364 -7.800 2.748) 8.278 1.898 ( -8.673 3.333 3.239) 9.839 1.978 ( -3.259 -3.899 -0.272) 5.089 1.985 ( -7.603 6.965 -0.037) 10.311 2.102 ( -3.864 -4.905 -1.885) 6.522 2.505 ( 2.175 7.989 0.323) 8.286 2.542 ( 0.838 1.999 2.190) 3.081 2.623 ( 1.711 -1.025 0.594) 2.081 2.657 ( 0.494 1.646 2.723) 3.220 2.727 ( -1.900 1.172 2.517) 3.364 2.819 ( -3.634 -4.792 1.466) 6.190 2.874 ( -9.594 3.186 1.628) 10.239 2.935 ( -9.566 -2.060 3.730) 10.472 3.005 ( 13.359 7.117 4.107) 15.683 3.151 ( 21.188 -5.874 4.177) 22.381 3.295 ( 11.002 4.588 -2.222) 12.126 3.370 ( -2.576 -0.803 -2.579) 3.732 3.457 ( 1.127 -3.117 -1.082) 3.487 3.537 ( 1.115 -6.830 -0.068) 6.920 3.718 ( 7.335 1.264 -2.084) 7.730 3.799 ( 5.359 -6.649 -1.531) 8.676 3.920 ( -4.384 0.079 -0.172) 4.388 3.945 ( -0.991 -2.667 -2.467) 3.765 4.179 ( -6.484 0.533 -1.643) 6.710 4.200 ( -9.619 -1.747 1.953) 9.970 4.351 ( 9.010 3.246 -2.809) 9.980 4.415 ( 8.411 -3.374 -1.749) 9.230 4.537 ( 2.449 1.336 -6.364) 6.948 4.574 ( 2.539 -2.331 -7.409) 8.172 4.661 ( 1.244 3.234 1.147) 3.649 4.698 ( 2.703 -0.052 -0.499) 2.749 4.848 ( -3.436 2.495 1.541) 4.517 4.902 ( -0.651 -2.196 1.279) 2.623 4.965 ( -6.300 4.633 -2.644) 8.255 4.990 ( -4.280 4.873 -0.642) 6.518 5.045 ( -4.312 -3.414 -0.101) 5.501 5.073 ( -2.820 -3.301 1.319) 4.537 5.670 ( 17.063 3.052 -0.909) 17.358 5.729 ( 15.508 -3.043 -2.245) 15.962 6.303 ( -9.403 0.828 -3.079) 9.929 6.325 ( -12.261 -1.384 -4.346) 13.082 6.552 ( 0.014 5.301 -2.723) 5.960 6.599 ( 0.813 1.182 -2.903) 3.238 6.818 ( -7.840 0.478 7.094) 10.584 6.861 ( -7.754 -3.127 5.580) 10.051 7.636 ( 9.320 4.139 1.863) 10.367 7.726 ( 6.610 -5.054 0.613) 8.343 7.949 ( -4.873 0.101 2.242) 5.365 7.966 ( -5.020 -1.573 2.136) 5.678 10.756 ( 34.813 1.911 0.032) 34.865 10.788 ( 34.304 -1.345 -0.294) 34.332 11.174 ( 10.119 6.829 0.540) 12.219 11.302 ( 8.944 -6.370 -0.836) 11.012 12.140 ( 1.093 9.780 3.213) 10.352 12.343 ( 7.937 -11.329 1.652) 13.931 12.620 ( -19.398 3.398 0.412) 19.698 12.692 ( -15.849 -4.160 -0.329) 16.390 13.336 ( 11.503 12.471 -9.617) 19.502 13.529 ( 11.923 -6.553 -10.926) 17.449 13.685 ( 1.219 1.427 1.239) 2.249 13.730 ( 2.126 -3.293 -0.018) 3.919 14.184 ( -1.837 4.121 -1.428) 4.732 14.245 ( -1.705 -0.702 -3.618) 4.061 14.386 ( -7.164 -0.005 1.288) 7.279 14.459 ( -6.582 -6.076 -0.065) 8.958 17.071 ( 3.117 0.572 4.740) 5.702 17.085 ( 2.993 -0.877 5.395) 6.232 17.230 ( -4.186 1.920 1.440) 4.825 17.270 ( -4.896 -2.155 1.588) 5.580======================= Grid point 67 (30/60) =======================q-point: (-0.50 0.40 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.542 ( -9.116 4.127 0.507) 10.019 1.542 ( 9.116 4.127 0.507) 10.019 1.626 ( -9.381 -4.514 0.002) 10.410 1.626 ( 9.381 -4.514 0.002) 10.410 1.820 ( -5.646 10.938 0.489) 12.319 1.820 ( 5.646 10.938 0.489) 12.319 2.007 ( -4.437 -8.020 -1.317) 9.260 2.007 ( 4.437 -8.020 -1.317) 9.260 2.556 ( -2.911 8.818 0.846) 9.324 2.556 ( 2.911 8.818 0.846) 9.324 2.644 ( -4.914 -0.042 3.860) 6.249 2.644 ( 4.914 -0.042 3.860) 6.249 2.727 ( -2.868 0.221 1.562) 3.273 2.727 ( 2.868 0.221 1.562) 3.273 2.798 ( -3.463 -4.257 3.361) 6.435 2.798 ( 3.463 -4.257 3.361) 6.435 3.213 ( -8.120 6.912 0.995) 10.710 3.213 ( 8.120 6.912 0.995) 10.710 3.392 ( -4.009 -10.899 -0.693) 11.634 3.392 ( 4.009 -10.899 -0.693) 11.634 3.673 ( -13.942 4.967 -0.989) 14.833 3.673 ( 13.942 4.967 -0.989) 14.833 3.780 ( -10.685 -5.819 -3.146) 12.567 3.780 ( 10.685 -5.819 -3.146) 12.567 3.929 ( -8.283 2.051 0.383) 8.542 3.929 ( 8.283 2.051 0.383) 8.542 3.999 ( -7.825 -4.974 -0.304) 9.277 3.999 ( 7.825 -4.974 -0.304) 9.277 4.496 ( -3.699 4.268 -3.873) 6.848 4.496 ( 3.699 4.268 -3.873) 6.848 4.573 ( -2.892 -3.916 -5.872) 7.628 4.573 ( 2.892 -3.916 -5.872) 7.628 4.747 ( -6.484 3.073 1.213) 7.277 4.747 ( 6.484 3.073 1.213) 7.277 4.790 ( -6.491 -1.268 0.325) 6.622 4.790 ( 6.491 -1.268 0.325) 6.622 4.936 ( -1.266 5.061 -0.870) 5.290 4.936 ( 1.266 5.061 -0.870) 5.290 5.025 ( -1.646 -4.000 0.259) 4.333 5.025 ( 1.646 -4.000 0.259) 4.333 6.016 ( -11.624 1.566 -3.631) 12.279 6.016 ( 11.624 1.566 -3.631) 12.279 6.049 ( -9.803 -1.924 -3.020) 10.436 6.049 ( 9.803 -1.924 -3.020) 10.436 6.608 ( -3.124 7.508 2.775) 8.592 6.608 ( 3.124 7.508 2.775) 8.592 6.733 ( -2.762 -5.377 2.933) 6.719 6.733 ( 2.762 -5.377 2.933) 6.719 7.813 ( -7.309 1.697 1.755) 7.706 7.813 ( 7.309 1.697 1.755) 7.706 7.858 ( -5.393 -2.976 1.019) 6.243 7.858 ( 5.393 -2.976 1.019) 6.243 11.235 ( -7.148 4.150 -0.043) 8.265 11.235 ( 7.148 4.150 -0.043) 8.265 11.308 ( -11.159 -3.406 0.092) 11.668 11.308 ( 11.159 -3.406 0.092) 11.668 12.242 ( -12.903 8.833 1.342) 15.695 12.242 ( 12.903 8.833 1.342) 15.695 12.432 ( -6.763 -10.921 -0.423) 12.852 12.432 ( 6.763 -10.921 -0.423) 12.852 13.593 ( -8.503 8.744 -1.878) 12.341 13.593 ( 8.503 8.744 -1.878) 12.341 13.725 ( -3.306 -5.166 -2.394) 6.584 13.725 ( 3.306 -5.166 -2.394) 6.584 14.198 ( -3.259 5.902 -1.224) 6.852 14.198 ( 3.259 5.902 -1.224) 6.852 14.333 ( -4.001 -7.913 -3.088) 9.389 14.333 ( 4.001 -7.913 -3.088) 9.389 17.144 ( -3.854 1.194 2.800) 4.911 17.144 ( 3.854 1.194 2.800) 4.911 17.169 ( -4.590 -1.368 2.614) 5.456 17.169 ( 4.590 -1.368 2.614) 5.456======================= Grid point 90 (31/60) =======================q-point: ( 0.00 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( 0.000 0.000 13.769) 13.769 0.792 ( 0.000 0.000 17.395) 17.395 1.193 ( 0.000 0.000 22.700) 22.700 1.335 ( 0.000 0.000 0.962) 0.962 1.468 ( 0.000 0.000 -13.253) 13.253 1.513 ( 0.000 0.000 4.869) 4.869 1.816 ( 0.000 0.000 -6.841) 6.841 2.095 ( 0.000 0.000 -6.551) 6.551 2.218 ( 0.000 0.000 0.552) 0.552 2.424 ( 0.000 0.000 4.808) 4.808 2.638 ( 0.000 0.000 -1.238) 1.238 2.748 ( 0.000 0.000 -3.440) 3.440 2.751 ( 0.000 0.000 -5.943) 5.943 2.825 ( 0.000 0.000 10.473) 10.473 2.838 ( 0.000 0.000 -7.125) 7.125 2.923 ( 0.000 0.000 6.498) 6.498 3.072 ( 0.000 0.000 0.993) 0.993 3.269 ( 0.000 0.000 14.234) 14.234 3.410 ( 0.000 0.000 3.193) 3.193 3.596 ( 0.000 0.000 -11.655) 11.655 3.690 ( 0.000 0.000 -0.891) 0.891 3.700 ( 0.000 0.000 13.909) 13.909 3.806 ( 0.000 0.000 -10.576) 10.576 3.819 ( 0.000 0.000 -1.288) 1.288 3.823 ( 0.000 0.000 -0.742) 0.742 4.032 ( 0.000 0.000 -2.774) 2.774 4.126 ( 0.000 0.000 6.222) 6.222 4.172 ( 0.000 0.000 -2.216) 2.216 4.223 ( 0.000 0.000 3.802) 3.802 4.241 ( 0.000 0.000 1.595) 1.595 4.314 ( 0.000 0.000 1.167) 1.167 4.388 ( 0.000 0.000 1.102) 1.102 4.479 ( 0.000 0.000 -3.622) 3.622 4.524 ( 0.000 0.000 -6.023) 6.023 4.888 ( 0.000 0.000 -2.208) 2.208 4.890 ( 0.000 0.000 -4.363) 4.363 4.930 ( 0.000 0.000 -7.717) 7.717 5.024 ( 0.000 0.000 3.095) 3.095 5.092 ( 0.000 0.000 0.616) 0.616 5.220 ( 0.000 0.000 2.195) 2.195 5.286 ( 0.000 0.000 -3.138) 3.138 5.425 ( 0.000 0.000 -3.969) 3.969 6.390 ( 0.000 0.000 -1.950) 1.950 6.393 ( 0.000 0.000 -4.720) 4.720 6.538 ( 0.000 0.000 -2.146) 2.146 6.553 ( 0.000 0.000 -2.825) 2.825 7.139 ( 0.000 0.000 7.314) 7.314 7.339 ( 0.000 0.000 9.760) 9.760 7.433 ( 0.000 0.000 -2.521) 2.521 7.517 ( 0.000 0.000 3.080) 3.080 8.296 ( 0.000 0.000 2.515) 2.515 8.535 ( 0.000 0.000 -3.520) 3.520 8.904 ( 0.000 0.000 0.110) 0.110 8.918 ( 0.000 0.000 -0.215) 0.215 10.582 ( 0.000 0.000 2.937) 2.937 10.727 ( 0.000 0.000 0.316) 0.316 10.729 ( 0.000 0.000 0.244) 0.244 10.806 ( 0.000 0.000 -3.591) 3.591 12.448 ( 0.000 0.000 12.162) 12.162 13.199 ( 0.000 0.000 0.940) 0.940 13.210 ( 0.000 0.000 -5.661) 5.661 13.409 ( 0.000 0.000 -8.828) 8.828 13.536 ( 0.000 0.000 0.274) 0.274 13.549 ( 0.000 0.000 0.059) 0.059 14.250 ( 0.000 0.000 -0.469) 0.469 14.319 ( 0.000 0.000 -3.436) 3.436 14.736 ( 0.000 0.000 4.120) 4.120 14.948 ( 0.000 0.000 -2.024) 2.024 17.087 ( 0.000 0.000 7.341) 7.341 17.317 ( 0.000 0.000 -0.648) 0.648 17.592 ( 0.000 0.000 5.116) 5.116 17.892 ( 0.000 0.000 -2.905) 2.905======================= Grid point 91 (32/60) =======================q-point: ( 0.12 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( 6.271 0.000 12.796) 14.250 0.845 ( 0.593 0.000 18.251) 18.261 1.473 ( 16.087 0.000 8.472) 18.181 1.502 ( 8.660 0.000 5.849) 10.451 1.520 ( 4.354 0.000 -12.107) 12.866 1.581 ( 20.410 0.000 0.344) 20.413 1.852 ( 2.434 0.000 -5.304) 5.836 2.160 ( 3.544 0.000 -12.191) 12.695 2.265 ( 3.137 0.000 5.692) 6.499 2.451 ( 4.635 0.000 6.310) 7.830 2.651 ( -0.517 0.000 0.153) 0.540 2.684 ( -3.587 0.000 1.016) 3.728 2.709 ( -2.998 0.000 -4.465) 5.378 2.810 ( -1.610 0.000 6.191) 6.397 2.874 ( -3.924 0.000 8.549) 9.406 2.907 ( 3.533 0.000 -2.237) 4.182 3.058 ( 0.258 0.000 -0.412) 0.486 3.235 ( -2.152 0.000 8.752) 9.012 3.346 ( -6.208 0.000 0.867) 6.269 3.604 ( -1.803 0.000 -10.626) 10.778 3.661 ( -1.237 0.000 -3.439) 3.654 3.684 ( -8.551 0.000 1.937) 8.768 3.714 ( 0.762 0.000 12.656) 12.679 3.768 ( -3.849 0.000 -2.519) 4.600 3.829 ( 2.492 0.000 2.632) 3.625 4.038 ( 1.679 0.000 -2.292) 2.841 4.083 ( 0.289 0.000 -3.652) 3.663 4.168 ( -2.587 0.000 -1.330) 2.909 4.289 ( 4.385 0.000 -0.824) 4.461 4.299 ( 5.219 0.000 3.247) 6.146 4.371 ( 1.786 0.000 -3.484) 3.915 4.397 ( 1.243 0.000 1.328) 1.819 4.498 ( 1.788 0.000 -2.855) 3.368 4.512 ( 0.298 0.000 -3.629) 3.641 4.865 ( -2.033 0.000 -3.375) 3.939 4.941 ( 0.605 0.000 -7.603) 7.627 4.968 ( -0.951 0.000 3.589) 3.713 4.990 ( 4.353 0.000 -0.066) 4.353 5.171 ( -3.171 0.000 3.245) 4.537 5.190 ( 8.729 0.000 0.733) 8.760 5.282 ( -0.567 0.000 -0.465) 0.733 5.387 ( -2.458 0.000 -1.715) 2.997 6.334 ( -2.742 0.000 -2.229) 3.534 6.419 ( 0.726 0.000 -4.001) 4.066 6.520 ( -2.569 0.000 -6.217) 6.727 6.555 ( -2.686 0.000 -8.428) 8.846 7.176 ( 5.502 0.000 8.096) 9.789 7.289 ( -4.640 0.000 9.229) 10.330 7.405 ( -8.992 0.000 4.291) 9.964 7.520 ( 6.403 0.000 -3.599) 7.345 8.266 ( -2.869 0.000 2.731) 3.961 8.355 ( -10.073 0.000 4.102) 10.877 9.180 ( 26.217 0.000 0.808) 26.229 9.262 ( 29.263 0.000 -1.345) 29.294 10.651 ( 6.483 0.000 3.077) 7.176 10.893 ( 8.082 0.000 -3.944) 8.993 11.061 ( 30.603 0.000 1.556) 30.642 11.566 ( 59.195 0.000 -24.549) 64.083 12.398 ( -4.738 0.000 11.842) 12.755 13.136 ( -6.187 0.000 1.011) 6.269 13.148 ( -6.031 0.000 -5.894) 8.433 13.331 ( -7.317 0.000 -8.067) 10.891 13.556 ( 1.890 0.000 0.327) 1.918 13.572 ( 2.135 0.000 -0.133) 2.140 14.233 ( -1.589 0.000 -0.313) 1.619 14.303 ( -1.564 0.000 -3.257) 3.613 14.692 ( -4.017 0.000 4.067) 5.716 14.895 ( -4.918 0.000 -1.527) 5.150 17.088 ( 0.181 0.000 6.783) 6.785 17.301 ( -1.472 0.000 -0.527) 1.563 17.544 ( -4.787 0.000 5.393) 7.211 17.713 ( -12.994 0.000 3.900) 13.567======================= Grid point 92 (33/60) =======================q-point: ( 0.25 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( 6.457 0.000 10.108) 11.995 0.934 ( 12.217 0.000 10.587) 16.166 1.475 ( 0.777 0.000 -3.473) 3.559 1.630 ( 6.108 0.000 -10.043) 11.755 1.889 ( 0.584 0.000 -2.880) 2.938 1.923 ( 10.509 0.000 3.906) 11.211 2.019 ( 12.759 0.000 2.275) 12.961 2.162 ( -2.987 0.000 -8.174) 8.702 2.279 ( -1.202 0.000 3.370) 3.578 2.595 ( -0.705 0.000 2.131) 2.244 2.620 ( 3.399 0.000 2.089) 3.990 2.664 ( 3.508 0.000 0.412) 3.532 2.719 ( 4.065 0.000 6.135) 7.359 2.797 ( 4.884 0.000 6.396) 8.047 2.867 ( 6.821 0.000 6.651) 9.527 2.878 ( -3.013 0.000 4.389) 5.323 3.078 ( -2.115 0.000 6.544) 6.878 3.216 ( -4.329 0.000 2.393) 4.946 3.278 ( 6.996 0.000 -10.582) 12.686 3.408 ( -16.119 0.000 4.724) 16.796 3.499 ( -6.432 0.000 -2.693) 6.973 3.654 ( -1.322 0.000 -7.157) 7.278 3.716 ( 1.854 0.000 8.084) 8.294 3.778 ( 3.221 0.000 -2.896) 4.331 3.966 ( 8.074 0.000 1.216) 8.165 4.054 ( -6.056 0.000 -1.094) 6.154 4.094 ( 3.235 0.000 -2.334) 3.989 4.158 ( 2.191 0.000 -5.598) 6.012 4.344 ( -0.599 0.000 -7.868) 7.891 4.380 ( 3.300 0.000 -5.569) 6.474 4.406 ( 5.063 0.000 3.408) 6.103 4.459 ( 3.996 0.000 1.454) 4.253 4.557 ( 4.265 0.000 -0.471) 4.290 4.560 ( 2.674 0.000 -3.644) 4.520 4.813 ( -2.900 0.000 -1.986) 3.515 4.815 ( -9.544 0.000 2.162) 9.786 4.945 ( -0.401 0.000 -6.519) 6.531 5.081 ( -5.828 0.000 3.572) 6.836 5.147 ( 1.588 0.000 -3.467) 3.813 5.233 ( -3.981 0.000 1.442) 4.234 5.353 ( 10.938 0.000 6.011) 12.481 5.487 ( 11.356 0.000 0.876) 11.390 6.306 ( 0.670 0.000 -0.178) 0.693 6.410 ( -7.762 0.000 -8.558) 11.554 6.424 ( -8.911 0.000 -10.696) 13.922 6.440 ( 1.634 0.000 -3.177) 3.573 7.154 ( -8.167 0.000 8.034) 11.456 7.203 ( -9.764 0.000 5.162) 11.044 7.367 ( 11.620 0.000 5.161) 12.715 7.653 ( 6.279 0.000 -3.843) 7.362 8.174 ( -5.651 0.000 4.296) 7.099 8.207 ( -5.422 0.000 4.146) 6.826 9.897 ( 40.143 0.000 1.075) 40.158 10.000 ( 39.091 0.000 -1.756) 39.130 10.838 ( 11.133 0.000 3.447) 11.654 11.116 ( 12.484 0.000 -4.567) 13.293 11.864 ( 43.254 0.000 3.126) 43.366 12.262 ( -7.841 0.000 11.007) 13.515 12.668 ( 43.963 0.000 -28.613) 52.454 12.936 ( -13.277 0.000 0.750) 13.298 12.967 ( -10.988 0.000 -5.380) 12.235 13.116 ( -13.058 0.000 -7.013) 14.822 13.608 ( 2.746 0.000 0.296) 2.762 13.629 ( 3.214 0.000 -0.647) 3.279 14.185 ( -2.948 0.000 0.264) 2.960 14.254 ( -3.026 0.000 -2.386) 3.854 14.579 ( -6.630 0.000 2.804) 7.199 14.755 ( -8.368 0.000 -1.617) 8.523 17.101 ( 1.195 0.000 5.338) 5.470 17.262 ( -2.155 0.000 0.081) 2.156 17.391 ( -8.325 0.000 8.607) 11.975 17.503 ( -7.271 0.000 3.519) 8.077======================= Grid point 93 (34/60) =======================q-point: ( 0.38 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.146 ( 17.350 0.000 3.285) 17.659 1.222 ( 14.973 0.000 7.885) 16.922 1.548 ( 6.393 0.000 -4.541) 7.842 1.739 ( -0.221 0.000 -4.620) 4.626 1.847 ( -1.084 0.000 -2.594) 2.811 1.918 ( -9.200 0.000 2.252) 9.472 1.952 ( -12.470 0.000 3.377) 12.919 2.086 ( -4.431 0.000 -6.757) 8.080 2.268 ( 2.168 0.000 3.984) 4.536 2.547 ( -6.829 0.000 0.495) 6.847 2.624 ( 3.659 0.000 4.370) 5.699 2.743 ( 2.505 0.000 0.917) 2.668 2.768 ( 2.147 0.000 7.831) 8.120 2.908 ( 0.590 0.000 3.163) 3.218 2.951 ( -1.112 0.000 -1.129) 1.584 3.038 ( 2.480 0.000 5.606) 6.130 3.073 ( -11.406 0.000 3.429) 11.910 3.198 ( 18.176 0.000 5.376) 18.954 3.317 ( -5.875 0.000 -2.192) 6.271 3.367 ( 21.702 0.000 9.527) 23.702 3.463 ( 4.570 0.000 -10.484) 11.436 3.607 ( -2.579 0.000 -5.473) 6.050 3.812 ( 6.532 0.000 3.875) 7.595 3.843 ( 1.226 0.000 -4.902) 5.053 3.888 ( -9.038 0.000 -2.519) 9.382 4.040 ( -1.494 0.000 -3.823) 4.104 4.130 ( -3.019 0.000 -2.297) 3.794 4.197 ( 6.448 0.000 -1.337) 6.585 4.391 ( -1.967 0.000 -6.641) 6.926 4.434 ( 7.141 0.000 -8.223) 10.891 4.463 ( -12.761 0.000 -1.290) 12.826 4.524 ( 6.074 0.000 1.812) 6.338 4.571 ( 5.529 0.000 2.901) 6.244 4.678 ( 6.878 0.000 0.123) 6.879 4.681 ( -1.727 0.000 -2.091) 2.712 4.743 ( -3.872 0.000 -1.743) 4.247 4.911 ( -9.782 0.000 4.214) 10.651 4.913 ( -2.956 0.000 -4.695) 5.548 5.113 ( -2.031 0.000 -2.376) 3.126 5.163 ( -2.928 0.000 0.748) 3.022 5.641 ( 14.383 0.000 3.095) 14.713 5.732 ( 11.491 0.000 -2.365) 11.732 6.212 ( -10.746 0.000 -7.743) 13.245 6.225 ( -9.905 0.000 -7.508) 12.429 6.368 ( 5.010 0.000 2.646) 5.666 6.485 ( 2.076 0.000 -0.105) 2.079 6.977 ( -7.678 0.000 6.098) 9.804 7.016 ( -8.008 0.000 4.376) 9.126 7.619 ( 12.094 0.000 3.017) 12.465 7.784 ( 6.402 0.000 -2.457) 6.857 8.045 ( -6.972 0.000 3.462) 7.784 8.081 ( -6.831 0.000 2.721) 7.353 10.716 ( 35.022 0.000 0.436) 35.024 10.776 ( 32.680 0.000 -1.432) 32.711 11.091 ( 12.971 0.000 3.893) 13.543 11.357 ( 8.894 0.000 -3.979) 9.744 12.105 ( -5.895 0.000 9.688) 11.341 12.580 ( -20.811 0.000 1.954) 20.903 12.723 ( -10.991 0.000 -5.055) 12.098 12.730 ( 37.933 0.000 3.420) 38.087 12.823 ( -13.851 0.000 -7.476) 15.740 13.368 ( 22.454 0.000 -15.250) 27.143 13.637 ( -0.328 0.000 -1.313) 1.354 13.701 ( 3.247 0.000 -1.765) 3.695 14.119 ( -2.964 0.000 1.285) 3.231 14.182 ( -3.768 0.000 -0.625) 3.819 14.432 ( -6.413 0.000 -0.853) 6.469 14.561 ( -9.798 0.000 -4.140) 10.636 17.140 ( 2.549 0.000 3.711) 4.502 17.221 ( -1.578 0.000 1.292) 2.040 17.263 ( -3.598 0.000 6.888) 7.771 17.367 ( -5.984 0.000 2.332) 6.423======================= Grid point 94 (35/60) =======================q-point: (-0.50 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.532 ( -14.214 0.000 4.630) 14.949 1.532 ( 14.214 0.000 4.630) 14.949 1.549 ( -19.446 0.000 1.626) 19.513 1.549 ( 19.446 0.000 1.626) 19.513 1.738 ( -9.254 0.000 -0.865) 9.294 1.738 ( 9.254 0.000 -0.865) 9.294 1.960 ( -7.183 0.000 -6.874) 9.942 1.960 ( 7.183 0.000 -6.874) 9.942 2.384 ( -7.774 0.000 3.504) 8.528 2.384 ( 7.774 0.000 3.504) 8.528 2.746 ( -6.544 0.000 6.266) 9.061 2.746 ( 6.544 0.000 6.266) 9.061 2.828 ( -5.191 0.000 0.104) 5.192 2.828 ( 5.191 0.000 0.104) 5.192 2.906 ( -2.660 0.000 4.277) 5.037 2.906 ( 2.660 0.000 4.277) 5.037 3.173 ( -7.466 0.000 2.943) 8.025 3.173 ( 7.466 0.000 2.943) 8.025 3.548 ( -3.311 0.000 -8.857) 9.456 3.548 ( 3.311 0.000 -8.857) 9.456 3.587 ( -15.925 0.000 2.207) 16.077 3.587 ( 15.925 0.000 2.207) 16.077 3.801 ( -11.188 0.000 -2.164) 11.395 3.801 ( 11.188 0.000 -2.164) 11.395 3.952 ( -6.217 0.000 -0.263) 6.223 3.952 ( 6.217 0.000 -0.263) 6.223 4.162 ( -9.842 0.000 0.641) 9.863 4.162 ( 9.842 0.000 0.641) 9.863 4.317 ( -4.816 0.000 -4.735) 6.754 4.317 ( 4.816 0.000 -4.735) 6.754 4.595 ( -6.529 0.000 -7.118) 9.659 4.595 ( 6.529 0.000 -7.118) 9.659 4.645 ( -5.375 0.000 0.023) 5.375 4.645 ( 5.375 0.000 0.023) 5.375 4.721 ( -7.781 0.000 4.841) 9.164 4.721 ( 7.781 0.000 4.841) 9.164 4.819 ( -5.961 0.000 -2.736) 6.559 4.819 ( 5.961 0.000 -2.736) 6.559 5.110 ( -1.700 0.000 -1.325) 2.156 5.110 ( 1.700 0.000 -1.325) 2.156 5.885 ( -4.356 0.000 -4.422) 6.207 5.885 ( 4.356 0.000 -4.422) 6.207 6.047 ( -2.471 0.000 -3.346) 4.160 6.047 ( 2.471 0.000 -3.346) 4.160 6.476 ( -3.779 0.000 3.559) 5.191 6.476 ( 3.779 0.000 3.559) 5.191 6.902 ( -1.620 0.000 3.707) 4.045 6.902 ( 1.620 0.000 3.707) 4.045 7.846 ( -8.071 0.000 2.761) 8.530 7.846 ( 8.071 0.000 2.761) 8.530 7.944 ( -4.768 0.000 0.113) 4.769 7.944 ( 4.768 0.000 0.113) 4.769 11.133 ( -1.305 0.000 -0.055) 1.306 11.133 ( 1.305 0.000 -0.055) 1.306 11.381 ( -9.821 0.000 0.389) 9.829 11.381 ( 9.821 0.000 0.389) 9.829 12.156 ( -14.809 0.000 5.709) 15.872 12.156 ( 14.809 0.000 5.709) 15.872 12.621 ( -3.260 0.000 -6.911) 7.641 12.621 ( 3.260 0.000 -6.911) 7.641 13.354 ( -20.185 0.000 2.522) 20.342 13.354 ( 20.185 0.000 2.522) 20.342 13.721 ( -3.273 0.000 -5.716) 6.587 13.721 ( 3.273 0.000 -5.716) 6.587 14.109 ( -2.599 0.000 1.145) 2.841 14.109 ( 2.599 0.000 1.145) 2.841 14.395 ( -4.155 0.000 -5.931) 7.241 14.395 ( 4.155 0.000 -5.931) 7.241 17.188 ( -1.715 0.000 3.123) 3.563 17.188 ( 1.715 0.000 3.123) 3.563 17.263 ( -3.477 0.000 3.113) 4.667 17.263 ( 3.477 0.000 3.113) 4.667======================= Grid point 99 (36/60) =======================q-point: ( 0.00 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.753 ( 0.000 6.512 13.634) 15.110 0.838 ( 0.000 4.629 15.552) 16.227 1.271 ( 0.000 -5.142 4.807) 7.039 1.362 ( 0.000 -10.580 2.067) 10.780 1.374 ( 0.000 17.181 15.169) 22.919 1.687 ( 0.000 17.340 -9.208) 19.633 1.872 ( 0.000 5.248 -5.460) 7.573 2.133 ( 0.000 1.235 1.863) 2.236 2.218 ( 0.000 0.326 -6.368) 6.377 2.426 ( 0.000 -0.582 2.354) 2.425 2.609 ( 0.000 -1.902 -1.017) 2.157 2.745 ( 0.000 -1.605 -2.720) 3.158 2.796 ( 0.000 3.497 -1.439) 3.782 2.827 ( 0.000 0.785 -6.529) 6.576 2.856 ( 0.000 3.490 7.392) 8.174 2.960 ( 0.000 2.596 4.328) 5.047 3.064 ( 0.000 -0.873 0.750) 1.151 3.262 ( 0.000 -0.317 14.007) 14.011 3.319 ( 0.000 -8.658 -1.795) 8.843 3.534 ( 0.000 -6.720 -2.176) 7.064 3.649 ( 0.000 -2.187 -4.434) 4.944 3.675 ( 0.000 -2.843 10.914) 11.278 3.727 ( 0.000 -5.292 -7.192) 8.929 3.771 ( 0.000 -3.960 5.067) 6.431 3.882 ( 0.000 4.099 -4.692) 6.230 4.054 ( 0.000 0.352 -2.949) 2.970 4.066 ( 0.000 -3.539 5.467) 6.513 4.164 ( 0.000 -2.837 1.374) 3.152 4.209 ( 0.000 -0.204 -1.783) 1.795 4.265 ( 0.000 1.120 3.855) 4.014 4.341 ( 0.000 2.906 -0.397) 2.933 4.405 ( 0.000 -0.773 -5.480) 5.534 4.424 ( 0.000 2.741 1.483) 3.117 4.653 ( 0.000 4.519 -6.221) 7.689 4.880 ( 0.000 -0.589 -3.820) 3.865 4.901 ( 0.000 1.160 -1.281) 1.728 4.905 ( 0.000 -1.960 -3.668) 4.158 5.012 ( 0.000 -2.918 2.101) 3.595 5.105 ( 0.000 1.691 1.083) 2.008 5.185 ( 0.000 0.157 -0.304) 0.343 5.284 ( 0.000 -0.469 -4.078) 4.105 5.396 ( 0.000 -2.988 -4.143) 5.108 6.403 ( 0.000 1.120 -2.116) 2.394 6.409 ( 0.000 1.278 -4.695) 4.866 6.541 ( 0.000 0.271 -2.020) 2.039 6.553 ( 0.000 -0.035 -2.599) 2.599 7.122 ( 0.000 -1.316 6.257) 6.394 7.200 ( 0.000 -6.392 5.818) 8.644 7.594 ( 0.000 7.552 4.610) 8.848 7.645 ( 0.000 13.138 0.609) 13.152 8.261 ( 0.000 -3.616 2.108) 4.186 8.404 ( 0.000 -11.842 1.031) 11.886 8.907 ( 0.000 0.244 0.097) 0.262 8.918 ( 0.000 -0.030 -0.139) 0.142 10.610 ( 0.000 2.824 2.466) 3.749 10.721 ( 0.000 -0.485 -0.064) 0.489 10.733 ( 0.000 0.435 0.464) 0.636 10.819 ( 0.000 0.248 -2.558) 2.570 12.603 ( 0.000 14.043 1.799) 14.157 13.185 ( 0.000 -3.097 -7.733) 8.330 13.210 ( 0.000 1.058 0.749) 1.296 13.343 ( 0.000 -4.614 -5.570) 7.232 13.580 ( 0.000 2.985 -0.097) 2.987 13.595 ( 0.000 4.102 -1.019) 4.227 14.255 ( 0.000 0.632 -0.597) 0.869 14.315 ( 0.000 -0.459 -3.242) 3.274 14.739 ( 0.000 0.514 3.975) 4.008 14.912 ( 0.000 -3.601 -0.824) 3.694 17.120 ( 0.000 3.588 7.895) 8.672 17.338 ( 0.000 2.110 -0.364) 2.141 17.563 ( 0.000 -2.852 4.548) 5.368 17.733 ( 0.000 -14.414 3.663) 14.872======================= Grid point 100 (37/60) =======================q-point: ( 0.12 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.761 ( 3.523 4.470 13.683) 14.820 1.042 ( 7.350 15.132 12.623) 21.032 1.350 ( -0.198 -10.632 0.732) 10.659 1.501 ( 20.183 -1.501 7.034) 21.426 1.576 ( 20.501 4.359 4.277) 21.391 1.714 ( 2.457 15.352 -8.377) 17.661 1.914 ( 2.863 5.599 -4.111) 7.513 2.207 ( 0.062 2.110 -11.394) 11.588 2.246 ( 6.690 -1.005 5.767) 8.889 2.460 ( 4.485 0.644 4.380) 6.302 2.629 ( 1.125 -1.618 0.480) 2.028 2.683 ( -4.778 -0.108 1.342) 4.964 2.735 ( -3.320 1.731 -1.442) 4.012 2.843 ( -1.915 3.127 4.537) 5.833 2.847 ( -1.202 -0.162 4.179) 4.352 2.961 ( 0.230 3.517 1.560) 3.854 3.046 ( 0.310 -1.989 -1.891) 2.762 3.222 ( -3.522 -0.954 9.572) 10.244 3.304 ( -0.901 -4.046 -2.984) 5.107 3.522 ( -2.835 -7.680 -1.411) 8.307 3.623 ( -2.540 -2.330 -5.494) 6.486 3.688 ( -0.449 -2.434 3.189) 4.036 3.706 ( -2.627 -1.023 2.330) 3.657 3.758 ( -1.625 -0.851 2.015) 2.725 3.811 ( -1.598 -0.137 2.877) 3.294 3.959 ( -1.790 -4.347 -2.953) 5.551 4.099 ( 0.351 -3.229 2.566) 4.139 4.184 ( 1.943 3.472 -4.410) 5.940 4.214 ( 1.199 -4.031 -0.095) 4.207 4.323 ( 2.374 0.762 1.346) 2.833 4.389 ( 3.156 0.311 -1.794) 3.644 4.397 ( 0.283 -0.256 0.121) 0.400 4.453 ( 3.377 1.369 -4.178) 5.544 4.642 ( -0.876 5.400 -2.840) 6.164 4.860 ( -1.435 -0.366 -3.439) 3.744 4.894 ( -0.477 -2.555 -3.257) 4.167 4.974 ( 1.287 0.554 1.456) 2.021 5.036 ( 4.735 2.543 -1.137) 5.494 5.168 ( -1.360 1.038 1.088) 2.028 5.184 ( 7.607 -0.335 0.958) 7.674 5.277 ( -0.734 -0.736 -1.141) 1.543 5.362 ( -2.133 -2.576 -1.789) 3.793 6.357 ( -2.425 2.125 -2.189) 3.897 6.423 ( 0.295 0.241 -4.119) 4.137 6.524 ( -2.097 0.372 -6.453) 6.795 6.550 ( -2.804 -0.356 -7.439) 7.958 7.145 ( 3.500 -2.035 6.631) 7.769 7.225 ( 0.030 -4.582 6.156) 7.674 7.488 ( -7.652 7.762 6.056) 12.470 7.634 ( -0.257 8.636 -0.257) 8.644 8.233 ( -2.760 -3.341 2.440) 4.973 8.271 ( -7.210 -7.697 4.893) 11.626 9.197 ( 26.808 1.613 0.387) 26.860 9.266 ( 29.066 0.123 -1.390) 29.100 10.681 ( 6.570 3.070 2.594) 7.702 10.872 ( 8.624 -2.027 -3.000) 9.353 11.083 ( 30.966 2.103 1.375) 31.068 11.437 ( 49.922 -10.397 -12.572) 52.520 12.574 ( -1.876 14.772 -1.230) 14.942 13.126 ( -5.697 -2.638 -7.750) 9.973 13.146 ( -6.186 1.068 0.810) 6.330 13.281 ( -6.221 -4.121 -5.965) 9.553 13.592 ( 1.130 2.829 0.112) 3.048 13.606 ( 1.436 3.175 -0.386) 3.506 14.239 ( -1.577 0.656 -0.439) 1.764 14.299 ( -1.521 -0.434 -3.064) 3.448 14.694 ( -4.154 0.363 3.913) 5.719 14.859 ( -4.907 -3.590 -0.458) 6.097 17.116 ( -0.246 3.034 7.318) 7.926 17.320 ( -1.650 1.894 -0.254) 2.525 17.512 ( -5.386 -3.509 5.735) 8.614 17.611 ( -8.526 -9.057 5.803) 13.726======================= Grid point 101 (38/60) =======================q-point: ( 0.25 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.892 ( 9.368 3.214 7.716) 12.555 1.150 ( 6.632 17.613 9.389) 21.032 1.370 ( 2.752 -9.098 -2.979) 9.961 1.751 ( 3.396 9.126 -7.092) 12.047 1.897 ( 10.310 -0.196 0.765) 10.340 1.958 ( 1.477 4.411 -0.205) 4.656 2.018 ( 11.051 0.195 0.980) 11.096 2.163 ( -3.128 -0.653 -5.112) 6.029 2.325 ( 0.190 4.772 0.988) 4.877 2.594 ( -1.263 -0.121 2.175) 2.518 2.618 ( 6.863 -0.536 5.006) 8.512 2.665 ( 1.718 0.189 1.157) 2.080 2.737 ( 4.349 2.624 2.593) 5.703 2.807 ( 3.192 0.909 6.639) 7.422 2.862 ( 4.102 -0.540 6.667) 7.847 2.894 ( -2.216 1.837 3.418) 4.469 3.097 ( 0.363 -1.080 0.833) 1.411 3.151 ( -1.762 -1.415 4.607) 5.131 3.318 ( 1.369 -0.315 -7.273) 7.408 3.373 ( -9.950 -2.917 1.943) 10.549 3.499 ( -6.967 -0.630 -2.631) 7.474 3.617 ( -2.099 -3.137 -5.265) 6.478 3.682 ( -0.572 -2.125 7.281) 7.607 3.776 ( 3.528 -0.688 -3.302) 4.881 3.881 ( 4.782 -5.704 1.742) 7.644 3.991 ( 0.471 -5.887 -4.483) 7.415 4.100 ( 0.665 0.917 0.798) 1.386 4.213 ( 0.861 1.804 -1.828) 2.709 4.260 ( 3.279 -2.628 -5.683) 7.068 4.377 ( 3.932 -1.871 -1.618) 4.645 4.417 ( 1.000 -0.558 -0.788) 1.390 4.474 ( 4.225 -0.344 0.139) 4.241 4.529 ( 4.093 1.403 -3.596) 5.626 4.631 ( -0.322 2.823 -0.222) 2.850 4.823 ( -2.231 0.976 -2.462) 3.463 4.846 ( -4.769 3.383 0.036) 5.847 4.935 ( -1.534 -0.285 -6.430) 6.617 5.089 ( -5.090 0.961 2.401) 5.710 5.152 ( -0.871 -0.132 -3.392) 3.505 5.226 ( -4.231 -0.871 0.923) 4.418 5.358 ( 12.172 0.766 5.899) 13.548 5.470 ( 11.582 -1.644 1.467) 11.790 6.328 ( -0.631 1.815 -0.728) 2.055 6.406 ( -5.130 -0.646 -7.892) 9.435 6.421 ( -7.384 0.824 -9.234) 11.852 6.468 ( -0.030 1.962 -4.875) 5.255 7.144 ( -6.972 -0.871 7.183) 10.048 7.171 ( -5.594 -2.443 4.938) 7.851 7.436 ( 6.044 6.154 5.641) 10.306 7.670 ( 3.783 1.260 -1.989) 4.456 8.140 ( -4.866 -3.298 4.604) 7.467 8.173 ( -4.453 -3.041 3.301) 6.323 9.915 ( 39.855 1.806 0.746) 39.902 10.000 ( 39.061 -0.140 -1.573) 39.093 10.871 ( 11.171 3.306 2.821) 11.986 11.096 ( 12.474 -2.103 -3.658) 13.168 11.884 ( 42.013 2.181 3.060) 42.181 12.181 ( 8.982 -7.046 6.617) 13.195 12.732 ( 25.916 5.422 -23.250) 35.236 12.942 ( -12.840 0.104 -1.894) 12.979 12.964 ( -9.826 -0.013 -4.322) 10.735 13.087 ( -11.945 -2.751 -6.549) 13.898 13.631 ( 2.465 2.055 0.553) 3.256 13.653 ( 2.753 2.125 -0.582) 3.526 14.191 ( -2.905 0.734 0.087) 2.998 14.253 ( -2.802 -0.179 -2.334) 3.651 14.577 ( -6.975 -0.112 2.722) 7.488 14.718 ( -8.377 -3.547 -0.756) 9.129 17.118 ( 0.674 1.892 5.787) 6.126 17.275 ( -2.497 1.174 0.558) 2.815 17.359 ( -7.222 -3.070 8.616) 11.654 17.469 ( -5.896 -3.140 3.013) 7.328======================= Grid point 102 (39/60) =======================q-point: ( 0.38 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.166 ( 16.811 2.326 2.408) 17.142 1.346 ( 11.559 11.650 6.819) 17.772 1.483 ( 8.138 -5.552 -3.671) 10.514 1.818 ( -0.760 6.185 -3.843) 7.321 1.896 ( -2.682 3.554 -1.414) 4.671 1.913 ( -8.890 -0.129 1.767) 9.065 1.950 ( -11.397 0.268 2.196) 11.610 2.091 ( -3.796 -0.345 -4.896) 6.205 2.331 ( 2.209 6.705 2.620) 7.531 2.582 ( -6.060 3.438 1.718) 7.176 2.620 ( 3.424 -0.383 3.364) 4.815 2.744 ( 2.337 0.144 1.304) 2.680 2.768 ( 1.326 0.413 6.005) 6.163 2.874 ( -0.206 -3.147 3.499) 4.711 2.922 ( -1.853 -2.647 -1.153) 3.431 3.033 ( 2.459 0.669 4.536) 5.202 3.095 ( -9.019 0.198 5.941) 10.802 3.222 ( 17.326 2.844 2.378) 17.718 3.309 ( 2.472 -0.390 1.524) 2.930 3.375 ( 13.618 -0.646 5.309) 14.631 3.452 ( 3.204 -1.414 -8.080) 8.806 3.585 ( -1.211 -3.157 -5.364) 6.341 3.717 ( 3.610 -4.451 2.822) 6.389 3.850 ( 1.743 -1.816 -7.447) 7.861 3.878 ( -6.156 -3.400 -2.502) 7.465 3.968 ( 0.575 -3.826 0.869) 3.966 4.093 ( -2.714 -0.947 -3.342) 4.408 4.253 ( -0.974 -3.188 -4.536) 5.629 4.290 ( -0.490 0.761 -0.674) 1.129 4.434 ( 2.061 -1.143 -5.447) 5.935 4.468 ( 3.487 -1.300 -2.980) 4.767 4.560 ( 1.674 -4.005 5.056) 6.663 4.596 ( 1.464 4.397 0.098) 4.635 4.638 ( 4.994 2.456 -2.834) 6.246 4.764 ( -1.045 4.230 -3.770) 5.762 4.779 ( -2.464 4.363 -1.369) 5.194 4.903 ( -2.822 -0.932 -3.766) 4.797 4.933 ( -8.379 2.228 2.749) 9.096 5.095 ( -2.761 -1.991 -2.103) 4.001 5.145 ( -3.418 -1.888 0.343) 3.920 5.650 ( 14.312 0.973 2.713) 14.599 5.721 ( 11.970 -1.010 -1.604) 12.119 6.206 ( -10.719 -0.496 -7.574) 13.134 6.211 ( -9.743 -0.966 -6.696) 11.862 6.426 ( 5.125 5.179 1.345) 7.410 6.521 ( 3.442 3.155 -0.436) 4.690 6.968 ( -8.447 -0.833 6.116) 10.461 7.006 ( -8.411 -1.119 4.510) 9.609 7.635 ( 10.913 1.729 2.937) 11.433 7.775 ( 5.994 -1.023 -1.597) 6.287 8.028 ( -6.366 -1.591 3.297) 7.343 8.057 ( -6.547 -2.173 2.641) 7.386 10.729 ( 34.988 1.255 0.386) 35.013 10.781 ( 33.491 0.365 -1.175) 33.513 11.117 ( 11.840 2.744 3.115) 12.547 11.339 ( 9.069 -1.991 -3.314) 9.859 12.135 ( -4.793 3.318 8.535) 10.336 12.563 ( 5.152 -7.953 0.710) 9.503 12.598 ( -15.996 -0.164 1.053) 16.031 12.734 ( -11.353 -2.268 -1.828) 11.720 12.947 ( 13.819 9.077 -7.380) 18.106 13.345 ( 23.836 -2.706 -15.278) 28.441 13.660 ( -0.881 2.098 -0.222) 2.286 13.712 ( 2.559 1.012 -1.561) 3.163 14.128 ( -2.673 1.082 0.825) 3.000 14.188 ( -3.295 0.600 -0.996) 3.494 14.416 ( -7.477 -1.478 -0.424) 7.634 14.523 ( -10.005 -3.781 -3.366) 11.213 17.148 ( 2.167 0.843 3.992) 4.620 17.229 ( -1.581 0.548 1.825) 2.476 17.251 ( -3.204 -0.964 6.156) 7.007 17.350 ( -5.483 -1.740 2.210) 6.162======================= Grid point 103 (40/60) =======================q-point: (-0.50 0.20 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( -9.697 0.857 2.868) 10.149 1.525 ( 9.697 0.857 2.868) 10.149 1.635 ( -4.653 5.990 1.653) 7.763 1.635 ( 4.653 5.990 1.653) 7.763 1.721 ( -7.571 -0.602 0.156) 7.596 1.721 ( 7.571 -0.602 0.156) 7.596 1.989 ( -5.740 1.682 -5.855) 8.370 1.989 ( 5.740 1.682 -5.855) 8.370 2.434 ( -6.915 5.520 3.146) 9.391 2.434 ( 6.915 5.520 3.146) 9.391 2.743 ( -7.592 -0.516 5.122) 9.173 2.743 ( 7.592 -0.516 5.122) 9.173 2.792 ( -1.055 -2.379 1.225) 2.876 2.792 ( 1.055 -2.379 1.225) 2.876 2.917 ( -3.074 -0.125 3.733) 4.837 2.917 ( 3.074 -0.125 3.733) 4.837 3.186 ( -7.286 1.706 3.008) 8.065 3.186 ( 7.286 1.706 3.008) 8.065 3.495 ( -0.855 -4.260 -4.658) 6.370 3.495 ( 0.855 -4.260 -4.658) 6.370 3.619 ( -10.782 1.514 -0.550) 10.902 3.619 ( 10.782 1.514 -0.550) 10.902 3.788 ( -4.723 -2.203 -3.759) 6.425 3.788 ( 4.723 -2.203 -3.759) 6.425 3.904 ( -10.255 -3.072 -0.128) 10.706 3.904 ( 10.255 -3.072 -0.128) 10.706 4.076 ( -6.202 -5.578 -0.308) 8.347 4.076 ( 6.202 -5.578 -0.308) 8.347 4.378 ( -5.187 3.492 -3.758) 7.295 4.378 ( 5.187 3.492 -3.758) 7.295 4.560 ( -3.253 -3.492 -2.120) 5.223 4.560 ( 3.253 -3.492 -2.120) 5.223 4.678 ( -3.801 3.420 -2.040) 5.506 4.678 ( 3.801 3.420 -2.040) 5.506 4.757 ( -5.387 3.094 2.126) 6.566 4.757 ( 5.387 3.094 2.126) 6.566 4.832 ( -4.402 1.531 -2.715) 5.393 4.832 ( 4.402 1.531 -2.715) 5.393 5.086 ( -1.840 -2.608 -1.542) 3.545 5.086 ( 1.840 -2.608 -1.542) 3.545 5.898 ( -3.891 1.341 -4.195) 5.877 5.898 ( 3.891 1.341 -4.195) 5.877 6.026 ( -2.371 -2.006 -3.130) 4.409 6.026 ( 2.371 -2.006 -3.130) 4.409 6.538 ( -3.467 6.015 3.247) 7.665 6.538 ( 3.467 6.015 3.247) 7.665 6.879 ( -1.826 -2.547 3.649) 4.810 6.879 ( 1.826 -2.547 3.649) 4.810 7.847 ( -7.733 0.167 2.603) 8.161 7.847 ( 7.733 0.167 2.603) 8.161 7.923 ( -4.812 -1.958 0.432) 5.213 7.923 ( 4.812 -1.958 0.432) 5.213 11.162 ( -2.274 2.958 -0.095) 3.732 11.162 ( 2.274 2.958 -0.095) 3.732 11.363 ( -9.309 -1.917 0.320) 9.510 11.363 ( 9.309 -1.917 0.320) 9.510 12.188 ( -13.784 3.394 4.813) 14.990 12.188 ( 13.784 3.394 4.813) 14.990 12.555 ( -2.543 -6.287 -4.866) 8.347 12.555 ( 2.543 -6.287 -4.866) 8.347 13.420 ( -17.806 6.164 0.813) 18.860 13.420 ( 17.806 6.164 0.813) 18.860 13.709 ( -4.745 -1.430 -5.250) 7.219 13.709 ( 4.745 -1.430 -5.250) 7.219 14.122 ( -2.512 1.551 0.591) 3.011 14.122 ( 2.512 1.551 0.591) 3.011 14.357 ( -3.594 -3.870 -5.120) 7.356 14.357 ( 3.594 -3.870 -5.120) 7.356 17.193 ( -1.831 0.519 3.100) 3.637 17.193 ( 1.831 0.519 3.100) 3.637 17.254 ( -3.277 -0.955 3.092) 4.605 17.254 ( 3.277 -0.955 3.092) 4.605======================= Grid point 108 (41/60) =======================q-point: ( 0.00 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.892 ( 0.000 7.928 10.510) 13.164 0.942 ( 0.000 4.940 11.043) 12.097 1.149 ( 0.000 -6.488 7.000) 9.544 1.154 ( 0.000 -9.355 6.057) 11.144 1.763 ( 0.000 20.800 9.465) 22.853 1.983 ( 0.000 5.717 -2.609) 6.284 1.986 ( 0.000 6.493 -0.968) 6.565 2.078 ( 0.000 -6.927 2.314) 7.303 2.239 ( 0.000 4.662 -9.044) 10.175 2.376 ( 0.000 -5.322 -3.178) 6.198 2.600 ( 0.000 1.680 -0.670) 1.808 2.676 ( 0.000 -5.117 -1.440) 5.316 2.864 ( 0.000 4.307 2.401) 4.931 2.875 ( 0.000 2.824 -7.292) 7.820 2.907 ( 0.000 0.233 -2.325) 2.337 2.964 ( 0.000 -3.888 6.306) 7.408 3.089 ( 0.000 4.513 2.201) 5.022 3.166 ( 0.000 -4.974 -4.792) 6.907 3.269 ( 0.000 1.758 10.375) 10.523 3.377 ( 0.000 -8.964 5.689) 10.617 3.604 ( 0.000 -2.052 -3.494) 4.052 3.606 ( 0.000 -2.608 -3.240) 4.160 3.682 ( 0.000 -0.109 7.560) 7.561 3.707 ( 0.000 -2.478 7.546) 7.943 3.958 ( 0.000 3.681 -5.555) 6.664 4.022 ( 0.000 -3.157 -3.557) 4.756 4.034 ( 0.000 0.833 5.712) 5.772 4.087 ( 0.000 -4.056 3.759) 5.530 4.232 ( 0.000 1.463 -3.352) 3.657 4.255 ( 0.000 -1.114 -1.594) 1.944 4.407 ( 0.000 2.967 -5.034) 5.843 4.425 ( 0.000 0.893 -4.116) 4.212 4.487 ( 0.000 4.885 4.665) 6.754 4.614 ( 0.000 -7.071 0.307) 7.078 4.869 ( 0.000 -0.867 -0.594) 1.051 4.870 ( 0.000 -0.484 -2.729) 2.771 4.932 ( 0.000 1.995 0.699) 2.114 4.966 ( 0.000 -1.590 1.077) 1.920 5.176 ( 0.000 5.070 -3.537) 6.182 5.238 ( 0.000 4.094 -3.925) 5.671 5.255 ( 0.000 -2.839 -5.297) 6.010 5.322 ( 0.000 -4.595 -4.362) 6.336 6.422 ( 0.000 0.762 -2.847) 2.947 6.426 ( 0.000 0.407 -3.937) 3.958 6.547 ( 0.000 0.329 -1.862) 1.890 6.552 ( 0.000 -0.135 -2.109) 2.114 7.105 ( 0.000 -0.188 5.129) 5.132 7.123 ( 0.000 -2.236 5.040) 5.514 7.767 ( 0.000 9.491 6.273) 11.377 7.837 ( 0.000 5.050 2.739) 5.745 8.175 ( 0.000 -4.656 1.421) 4.868 8.186 ( 0.000 -8.424 3.658) 9.183 8.912 ( 0.000 0.230 0.085) 0.245 8.916 ( 0.000 -0.161 -0.005) 0.161 10.672 ( 0.000 3.053 0.730) 3.139 10.708 ( 0.000 -1.039 -0.384) 1.108 10.750 ( 0.000 1.688 1.238) 2.093 10.795 ( 0.000 -2.484 0.304) 2.502 12.875 ( 0.000 13.218 -9.696) 16.393 13.078 ( 0.000 -8.355 -11.628) 14.318 13.236 ( 0.000 1.738 0.139) 1.743 13.275 ( 0.000 -2.570 -1.436) 2.944 13.638 ( 0.000 2.462 -0.651) 2.547 13.651 ( 0.000 1.316 -1.004) 1.655 14.274 ( 0.000 1.321 -1.260) 1.825 14.299 ( 0.000 -1.184 -2.449) 2.720 14.764 ( 0.000 2.416 3.267) 4.064 14.831 ( 0.000 -4.409 1.534) 4.668 17.227 ( 0.000 7.947 8.855) 11.898 17.376 ( 0.000 -1.297 1.875) 2.280 17.472 ( 0.000 -8.482 8.631) 12.101 17.495 ( 0.000 -4.076 3.444) 5.337======================= Grid point 109 (42/60) =======================q-point: ( 0.12 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 0.901 ( 2.471 9.911 9.161) 13.721 1.113 ( 2.750 -11.751 4.591) 12.913 1.292 ( 17.357 8.480 8.158) 20.969 1.421 ( 21.279 -5.621 5.590) 22.708 1.781 ( 4.808 14.648 4.409) 16.035 1.948 ( -2.148 3.169 -1.582) 4.142 2.026 ( 2.861 5.535 -2.768) 6.818 2.126 ( 1.790 -6.770 -2.413) 7.406 2.323 ( 8.091 7.552 -4.255) 11.858 2.446 ( 5.927 -3.322 0.417) 6.807 2.615 ( 1.045 0.707 1.871) 2.257 2.655 ( -2.199 -2.706 1.069) 3.647 2.792 ( -4.066 5.045 3.161) 7.209 2.868 ( -2.754 0.869 4.122) 5.033 2.889 ( -1.814 0.996 -0.550) 2.141 2.944 ( 0.524 -7.330 -3.848) 8.295 3.054 ( -3.081 6.238 1.511) 7.120 3.186 ( 1.340 -5.830 -6.048) 8.507 3.258 ( -1.326 2.673 7.645) 8.206 3.364 ( -1.364 -7.803 4.624) 9.172 3.590 ( -1.498 -0.285 -3.972) 4.255 3.625 ( -0.254 -3.571 -7.246) 8.082 3.690 ( 0.515 0.481 9.334) 9.361 3.722 ( -0.009 -2.391 6.387) 6.820 3.842 ( -5.871 2.341 0.095) 6.321 3.889 ( -4.822 -2.914 -1.736) 5.895 4.076 ( 1.200 0.879 2.579) 2.977 4.123 ( 2.396 -3.797 2.159) 4.982 4.263 ( 1.285 3.141 -5.167) 6.182 4.310 ( 1.742 -1.828 -3.023) 3.939 4.377 ( 1.359 -0.251 -2.238) 2.631 4.386 ( -0.757 -0.831 -1.988) 2.284 4.538 ( 2.604 5.876 0.698) 6.465 4.643 ( 0.673 -4.393 1.421) 4.666 4.855 ( -0.396 -0.000 -3.433) 3.456 4.862 ( -0.058 -0.851 -2.891) 3.014 5.015 ( 4.282 3.420 -0.956) 5.563 5.061 ( 6.090 -0.617 -1.388) 6.276 5.190 ( 2.538 2.213 0.316) 3.382 5.226 ( -0.221 3.825 -1.608) 4.155 5.246 ( -0.560 -2.682 -1.691) 3.219 5.299 ( -1.124 -3.814 -1.846) 4.384 6.397 ( -1.616 1.785 -2.524) 3.488 6.420 ( -0.617 -0.684 -3.608) 3.724 6.534 ( -2.004 0.658 -6.603) 6.932 6.545 ( -2.206 -0.351 -6.497) 6.871 7.126 ( 2.303 0.220 5.284) 5.769 7.155 ( 1.708 -2.735 4.910) 5.874 7.654 ( -7.836 8.771 7.451) 13.923 7.747 ( -6.670 1.066 4.307) 8.011 8.136 ( -2.518 -3.728 3.711) 5.832 8.158 ( -1.413 -4.261 1.728) 4.810 9.231 ( 28.039 1.795 -0.337) 28.098 9.258 ( 28.811 -0.979 -1.055) 28.847 10.753 ( 7.001 4.132 1.080) 8.201 10.823 ( 8.047 -3.165 -1.094) 8.716 11.141 ( 33.996 4.340 0.580) 34.277 11.256 ( 39.997 -8.065 -2.826) 40.900 12.842 ( -2.710 12.531 -11.172) 17.005 13.032 ( -4.420 -7.611 -11.964) 14.853 13.173 ( -6.143 1.777 0.168) 6.397 13.214 ( -6.012 -2.713 -1.675) 6.805 13.643 ( 0.628 2.140 -0.150) 2.235 13.654 ( 0.644 1.208 -0.406) 1.428 14.258 ( -1.488 1.377 -1.124) 2.318 14.284 ( -1.438 -1.167 -2.304) 2.956 14.715 ( -4.503 2.208 3.238) 5.970 14.779 ( -4.807 -4.309 1.659) 6.666 17.205 ( -1.791 6.460 8.412) 10.756 17.337 ( -3.623 -4.286 4.504) 7.196 17.417 ( -3.724 -1.478 5.954) 7.177 17.475 ( -2.412 -4.838 3.178) 6.270======================= Grid point 110 (43/60) =======================q-point: ( 0.25 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.002 ( 7.825 8.035 3.657) 11.796 1.179 ( 5.298 -10.387 -0.283) 11.663 1.502 ( 4.720 17.770 7.053) 19.692 1.757 ( 6.271 -8.336 4.753) 11.463 1.964 ( 5.424 4.382 -4.695) 8.406 2.001 ( 6.123 -0.308 -1.530) 6.318 2.071 ( 0.688 4.587 -0.982) 4.741 2.132 ( -1.354 -2.245 -1.883) 3.228 2.450 ( 2.840 7.894 -1.781) 8.577 2.565 ( 1.982 -3.671 -0.235) 4.179 2.626 ( 3.253 1.739 6.658) 7.612 2.660 ( 3.285 -1.090 6.295) 7.184 2.799 ( 6.733 3.161 2.493) 7.845 2.833 ( -0.134 0.094 3.688) 3.691 2.864 ( 0.795 2.775 3.628) 4.636 2.943 ( 0.457 0.029 1.422) 1.494 3.013 ( 1.093 -0.374 -1.132) 1.617 3.173 ( -3.712 -10.358 -4.156) 11.761 3.220 ( -1.859 3.799 4.396) 6.100 3.313 ( -2.962 -4.579 0.652) 5.492 3.505 ( -4.794 2.155 -2.610) 5.868 3.560 ( -4.250 -3.202 -3.452) 6.343 3.681 ( -0.294 2.148 4.981) 5.432 3.738 ( 2.789 -3.286 2.490) 4.978 3.826 ( 1.751 0.417 -1.513) 2.351 3.880 ( 1.184 -4.947 -5.581) 7.552 4.126 ( 2.660 1.874 1.071) 3.426 4.171 ( 2.498 -2.953 -0.290) 3.879 4.289 ( 2.163 2.453 -3.860) 5.060 4.335 ( 2.717 -2.410 -2.437) 4.374 4.411 ( 0.728 0.417 -0.880) 1.216 4.437 ( 2.554 -2.208 -0.950) 3.507 4.585 ( 2.870 3.336 -1.328) 4.597 4.637 ( -0.241 -1.776 0.555) 1.876 4.848 ( -0.435 1.537 -3.349) 3.710 4.874 ( 0.864 -0.891 -3.077) 3.318 4.995 ( -4.336 6.026 -5.743) 9.386 5.091 ( -3.369 -2.872 -3.697) 5.768 5.148 ( -4.614 1.586 0.845) 4.952 5.195 ( -4.596 -2.429 1.220) 5.339 5.388 ( 12.877 2.240 4.505) 13.825 5.432 ( 12.153 -2.262 2.862) 12.688 6.359 ( -3.813 1.389 -3.586) 5.416 6.384 ( -5.476 -1.355 -6.489) 8.598 6.461 ( -1.785 2.516 -6.997) 7.647 6.489 ( -0.131 -0.111 -5.962) 5.965 7.129 ( -5.077 -0.512 5.924) 7.819 7.134 ( -4.033 -1.191 5.143) 6.643 7.565 ( 1.301 6.954 5.474) 8.945 7.665 ( 0.183 -2.755 2.516) 3.736 8.088 ( -2.804 -1.013 3.395) 4.519 8.112 ( -3.268 -2.953 2.487) 5.058 9.955 ( 39.393 2.182 -0.042) 39.454 9.988 ( 39.117 -1.225 -0.947) 39.148 10.951 ( 11.457 4.842 1.039) 12.482 11.038 ( 12.074 -4.076 -1.438) 12.825 11.945 ( 37.415 4.281 3.000) 37.778 12.047 ( 27.173 -6.555 3.619) 28.186 12.834 ( 5.575 5.016 -17.179) 18.744 12.912 ( -6.432 -3.091 -10.873) 13.005 12.986 ( -10.502 1.963 -1.300) 10.763 13.031 ( -10.497 -2.816 -3.941) 11.560 13.671 ( 1.992 1.801 0.604) 2.752 13.684 ( 2.109 0.634 0.014) 2.202 14.214 ( -2.616 1.640 -0.759) 3.179 14.243 ( -2.431 -1.068 -1.887) 3.258 14.587 ( -7.777 1.560 2.267) 8.250 14.641 ( -8.304 -4.021 0.989) 9.279 17.172 ( -0.992 3.783 6.878) 7.912 17.253 ( -3.589 -4.269 7.007) 8.955 17.340 ( -3.689 2.352 2.455) 5.016 17.402 ( -4.289 -3.707 2.151) 6.063======================= Grid point 111 (44/60) =======================q-point: ( 0.38 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.237 ( 14.624 5.193 0.415) 15.524 1.353 ( 11.375 -6.745 -1.839) 13.352 1.611 ( 5.972 13.760 4.755) 15.736 1.814 ( 0.026 -6.787 2.533) 7.244 1.939 ( -9.811 1.335 0.223) 9.903 1.955 ( -6.173 0.820 -1.628) 6.437 1.987 ( -7.014 4.735 0.252) 8.467 2.060 ( -4.066 -2.638 -2.174) 5.312 2.496 ( 2.791 9.135 0.087) 9.552 2.602 ( 3.143 -2.213 1.548) 4.144 2.654 ( -1.270 3.969 3.388) 5.371 2.743 ( 2.104 -3.061 2.283) 4.360 2.772 ( -3.519 0.785 1.698) 3.985 2.819 ( 0.038 -2.653 1.440) 3.018 2.907 ( -4.240 4.220 1.542) 6.177 3.020 ( -7.104 -4.427 2.642) 8.778 3.114 ( 7.025 4.410 6.413) 10.485 3.252 ( 13.934 -7.108 3.576) 16.046 3.293 ( 12.604 0.385 1.598) 12.711 3.311 ( 4.264 -0.392 -0.440) 4.304 3.440 ( 1.282 1.099 -1.520) 2.272 3.499 ( -1.105 -4.762 -2.256) 5.384 3.708 ( 2.549 2.891 0.403) 3.875 3.788 ( -0.191 -4.773 -1.354) 4.965 3.835 ( -0.515 0.735 -5.765) 5.835 3.887 ( 0.716 -4.336 -2.209) 4.919 4.115 ( -4.840 2.335 -3.912) 6.647 4.168 ( -5.983 -3.494 -5.281) 8.712 4.350 ( 3.449 3.541 1.434) 5.147 4.409 ( 3.503 -1.898 0.315) 3.997 4.442 ( 4.024 -0.709 -4.196) 5.857 4.468 ( 1.117 -3.964 0.672) 4.173 4.660 ( 2.946 2.359 -0.237) 3.782 4.678 ( 5.000 0.601 -1.158) 5.167 4.825 ( -2.093 2.816 -3.116) 4.692 4.869 ( -3.621 -1.311 -4.350) 5.809 4.905 ( -1.559 6.036 -2.712) 6.799 4.984 ( -5.722 1.134 -0.699) 5.875 5.045 ( -4.465 -1.657 -0.446) 4.783 5.092 ( -4.838 -3.620 0.353) 6.053 5.674 ( 13.878 1.398 1.633) 14.043 5.699 ( 12.989 -1.292 0.047) 13.053 6.198 ( -10.379 -0.239 -6.956) 12.496 6.199 ( -10.608 -0.307 -7.109) 12.774 6.526 ( 6.583 4.538 0.180) 7.998 6.566 ( 6.355 0.631 -0.635) 6.418 6.956 ( -10.116 0.012 5.903) 11.712 6.976 ( -9.706 -1.765 5.057) 11.086 7.682 ( 8.140 3.126 2.375) 9.037 7.741 ( 6.000 -2.701 0.624) 6.610 8.003 ( -5.452 -0.514 2.713) 6.112 8.017 ( -5.908 -1.744 2.450) 6.629 10.757 ( 34.906 1.569 0.134) 34.942 10.780 ( 34.570 -0.667 -0.471) 34.580 11.190 ( 10.158 4.724 1.042) 11.251 11.279 ( 9.406 -4.297 -1.414) 10.437 12.233 ( -1.694 7.041 5.696) 9.213 12.389 ( 2.989 -9.217 2.701) 10.059 12.629 ( -18.513 2.373 0.449) 18.670 12.681 ( -15.922 -2.980 -0.827) 16.220 13.117 ( 21.575 8.691 -10.472) 25.508 13.261 ( 24.391 -6.236 -13.687) 28.655 13.702 ( -0.377 2.008 0.458) 2.094 13.724 ( 0.950 -0.159 -0.441) 1.059 14.162 ( -1.838 2.362 -0.556) 3.044 14.194 ( -1.771 -0.522 -1.559) 2.416 14.397 ( -10.046 0.185 0.011) 10.048 14.441 ( -10.642 -4.147 -1.496) 11.519 17.172 ( 1.035 1.664 4.725) 5.115 17.208 ( -0.613 -2.022 5.438) 5.835 17.266 ( -3.334 1.982 1.966) 4.349 17.309 ( -4.394 -2.421 1.970) 5.390======================= Grid point 112 (45/60) =======================q-point: (-0.50 0.40 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( -13.051 3.099 1.618) 13.511 1.564 ( 13.051 3.099 1.618) 13.511 1.631 ( -11.942 -3.577 0.384) 12.472 1.631 ( 11.942 -3.577 0.384) 12.472 1.834 ( -5.927 8.977 0.864) 10.792 1.834 ( 5.927 8.977 0.864) 10.792 1.968 ( -4.472 -4.436 -2.332) 6.716 1.968 ( 4.472 -4.436 -2.332) 6.716 2.575 ( -4.482 8.165 0.964) 9.364 2.575 ( 4.482 8.165 0.964) 9.364 2.696 ( -4.278 -4.528 0.612) 6.259 2.696 ( 4.278 -4.528 0.612) 6.259 2.797 ( -3.781 3.068 4.704) 6.770 2.797 ( 3.781 3.068 4.704) 6.770 2.877 ( -5.151 -4.101 4.002) 7.705 2.877 ( 5.151 -4.101 4.002) 7.705 3.250 ( -6.068 5.322 2.501) 8.450 3.250 ( 6.068 5.322 2.501) 8.450 3.381 ( -2.985 -7.701 -0.439) 8.271 3.381 ( 2.985 -7.701 -0.439) 8.271 3.646 ( -9.454 2.044 -1.748) 9.829 3.646 ( 9.454 2.044 -1.748) 9.829 3.708 ( -5.806 -4.569 -3.735) 8.279 3.708 ( 5.806 -4.569 -3.735) 8.279 3.912 ( -10.450 2.994 -1.612) 10.989 3.912 ( 10.450 2.994 -1.612) 10.989 3.984 ( -6.813 -4.373 -1.298) 8.198 3.984 ( 6.813 -4.373 -1.298) 8.198 4.431 ( -3.192 2.633 -2.443) 4.806 4.431 ( 3.192 2.633 -2.443) 4.806 4.489 ( -1.102 -3.608 -1.260) 3.977 4.489 ( 1.102 -3.608 -1.260) 3.977 4.742 ( -4.767 2.967 -1.304) 5.765 4.742 ( 4.767 2.967 -1.304) 5.765 4.781 ( -3.835 -0.903 -0.523) 3.974 4.781 ( 3.835 -0.903 -0.523) 3.974 4.906 ( -1.473 5.891 -2.213) 6.463 4.906 ( 1.473 5.891 -2.213) 6.463 5.013 ( -2.010 -5.026 -1.905) 5.738 5.013 ( 2.010 -5.026 -1.905) 5.738 5.934 ( -3.053 2.363 -3.686) 5.338 5.934 ( 3.053 2.363 -3.686) 5.337 5.981 ( -2.497 -2.596 -3.207) 4.822 5.981 ( 2.497 -2.596 -3.207) 4.822 6.673 ( -2.887 7.630 3.125) 8.736 6.673 ( 2.887 7.630 3.125) 8.736 6.802 ( -2.307 -5.683 3.405) 7.015 6.802 ( 2.307 -5.683 3.405) 7.015 7.856 ( -6.684 0.906 2.079) 7.059 7.856 ( 6.684 0.906 2.079) 7.059 7.883 ( -5.398 -2.001 1.232) 5.887 7.883 ( 5.398 -2.001 1.232) 5.887 11.233 ( -4.764 4.266 -0.071) 6.395 11.233 ( 4.764 4.266 -0.071) 6.395 11.310 ( -7.541 -3.637 0.122) 8.373 11.310 ( 7.541 -3.637 0.122) 8.373 12.281 ( -10.658 6.308 2.339) 12.604 12.281 ( 10.658 6.308 2.339) 12.604 12.416 ( -6.126 -7.790 -1.147) 9.977 12.416 ( 6.126 -7.790 -1.147) 9.977 13.550 ( -13.369 6.893 -1.901) 15.161 13.550 ( 13.369 6.893 -1.901) 15.161 13.657 ( -8.602 -4.249 -3.947) 10.374 13.657 ( 8.602 -4.249 -3.947) 10.374 14.173 ( -2.222 3.949 -0.966) 4.633 14.173 ( 2.222 3.949 -0.966) 4.633 14.265 ( -2.396 -5.398 -3.130) 6.684 14.265 ( 2.396 -5.398 -3.130) 6.684 17.208 ( -2.218 1.053 3.060) 3.923 17.208 ( 2.218 1.053 3.060) 3.923 17.231 ( -2.781 -1.320 3.058) 4.339 17.231 ( 2.781 -1.320 3.058) 4.339======================= Grid point 135 (46/60) =======================q-point: ( 0.00 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( 0.000 0.000 11.084) 11.084 1.103 ( 0.000 0.000 12.561) 12.561 1.174 ( 0.000 0.000 -14.055) 14.055 1.287 ( 0.000 0.000 -5.219) 5.219 1.539 ( 0.000 0.000 9.206) 9.206 1.595 ( 0.000 0.000 2.137) 2.137 1.753 ( 0.000 0.000 1.641) 1.641 1.877 ( 0.000 0.000 -9.623) 9.623 2.430 ( 0.000 0.000 13.441) 13.441 2.530 ( 0.000 0.000 5.281) 5.281 2.610 ( 0.000 0.000 -0.487) 0.487 2.641 ( 0.000 0.000 -3.740) 3.740 2.656 ( 0.000 0.000 -5.202) 5.202 2.683 ( 0.000 0.000 -8.876) 8.876 2.999 ( 0.000 0.000 2.685) 2.685 3.005 ( 0.000 0.000 4.555) 4.555 3.116 ( 0.000 0.000 4.855) 4.855 3.306 ( 0.000 0.000 -13.541) 13.541 3.523 ( 0.000 0.000 9.352) 9.352 3.557 ( 0.000 0.000 4.438) 4.438 3.613 ( 0.000 0.000 -6.035) 6.035 3.649 ( 0.000 0.000 -3.518) 3.518 3.828 ( 0.000 0.000 6.828) 6.828 3.851 ( 0.000 0.000 2.328) 2.328 3.890 ( 0.000 0.000 0.678) 0.678 4.056 ( 0.000 0.000 8.943) 8.943 4.056 ( 0.000 0.000 -10.356) 10.356 4.223 ( 0.000 0.000 3.451) 3.451 4.226 ( 0.000 0.000 -4.288) 4.288 4.284 ( 0.000 0.000 -3.009) 3.009 4.286 ( 0.000 0.000 2.930) 2.930 4.377 ( 0.000 0.000 -5.950) 5.950 4.405 ( 0.000 0.000 1.580) 1.580 4.444 ( 0.000 0.000 -2.358) 2.358 4.818 ( 0.000 0.000 -2.415) 2.415 4.821 ( 0.000 0.000 -2.127) 2.127 4.928 ( 0.000 0.000 4.904) 4.904 5.025 ( 0.000 0.000 -3.475) 3.475 5.137 ( 0.000 0.000 4.160) 4.160 5.220 ( 0.000 0.000 -3.582) 3.582 5.270 ( 0.000 0.000 2.740) 2.740 5.338 ( 0.000 0.000 -4.072) 4.072 6.344 ( 0.000 0.000 -0.458) 0.458 6.356 ( 0.000 0.000 -1.307) 1.307 6.501 ( 0.000 0.000 -1.083) 1.083 6.505 ( 0.000 0.000 -1.492) 1.492 7.274 ( 0.000 0.000 5.661) 5.661 7.369 ( 0.000 0.000 -3.782) 3.782 7.491 ( 0.000 0.000 5.090) 5.090 7.547 ( 0.000 0.000 -0.479) 0.479 8.364 ( 0.000 0.000 4.026) 4.026 8.453 ( 0.000 0.000 -4.397) 4.397 8.907 ( 0.000 0.000 0.206) 0.206 8.912 ( 0.000 0.000 -0.270) 0.270 10.650 ( 0.000 0.000 3.672) 3.672 10.728 ( 0.000 0.000 -3.917) 3.917 10.732 ( 0.000 0.000 0.142) 0.142 10.732 ( 0.000 0.000 0.090) 0.090 12.724 ( 0.000 0.000 14.372) 14.372 13.012 ( 0.000 0.000 -13.098) 13.098 13.227 ( 0.000 0.000 1.866) 1.866 13.281 ( 0.000 0.000 -3.758) 3.758 13.542 ( 0.000 0.000 0.330) 0.330 13.548 ( 0.000 0.000 -0.164) 0.164 14.246 ( 0.000 0.000 0.259) 0.259 14.265 ( 0.000 0.000 -1.731) 1.731 14.820 ( 0.000 0.000 4.018) 4.018 14.895 ( 0.000 0.000 -3.187) 3.187 17.215 ( 0.000 0.000 4.941) 4.941 17.288 ( 0.000 0.000 -2.358) 2.358 17.706 ( 0.000 0.000 5.782) 5.782 17.815 ( 0.000 0.000 -4.640) 4.640======================= Grid point 136 (47/60) =======================q-point: ( 0.12 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.986 ( 6.020 0.000 11.878) 13.316 1.200 ( -0.078 0.000 15.550) 15.550 1.245 ( 6.076 0.000 -13.686) 14.974 1.448 ( -0.257 0.000 -7.893) 7.897 1.606 ( 14.799 0.000 2.930) 15.086 1.632 ( 14.951 0.000 1.946) 15.077 1.810 ( 4.163 0.000 1.881) 4.568 1.928 ( 3.700 0.000 -9.178) 9.896 2.446 ( -0.329 0.000 9.289) 9.295 2.584 ( 1.959 0.000 0.124) 1.963 2.630 ( 3.542 0.000 3.041) 4.668 2.657 ( 1.962 0.000 0.638) 2.063 2.675 ( 4.537 0.000 -0.433) 4.558 2.797 ( 8.373 0.000 -7.731) 11.396 2.961 ( -3.012 0.000 4.985) 5.824 2.982 ( -1.905 0.000 2.620) 3.239 3.086 ( -2.807 0.000 5.505) 6.179 3.296 ( -1.658 0.000 -13.722) 13.822 3.436 ( -9.418 0.000 6.337) 11.352 3.466 ( -3.665 0.000 8.515) 9.271 3.585 ( -4.222 0.000 -8.423) 9.422 3.599 ( -4.059 0.000 -4.238) 5.868 3.825 ( -0.199 0.000 7.153) 7.156 3.846 ( -0.746 0.000 3.003) 3.094 3.906 ( 1.400 0.000 -1.481) 2.038 3.987 ( -3.425 0.000 -6.793) 7.608 4.077 ( 2.384 0.000 9.485) 9.780 4.163 ( -4.818 0.000 1.952) 5.199 4.250 ( 1.822 0.000 -5.039) 5.358 4.253 ( -3.135 0.000 -6.335) 7.068 4.343 ( 4.642 0.000 2.606) 5.323 4.424 ( 4.116 0.000 -4.508) 6.105 4.433 ( 2.042 0.000 1.624) 2.609 4.462 ( 1.679 0.000 -1.517) 2.263 4.816 ( -0.487 0.000 -1.307) 1.395 4.825 ( 0.537 0.000 -2.847) 2.897 4.995 ( 1.533 0.000 0.928) 1.792 5.011 ( -0.059 0.000 0.141) 0.152 5.213 ( 3.318 0.000 2.169) 3.964 5.241 ( 1.048 0.000 0.864) 1.358 5.284 ( 4.846 0.000 1.901) 5.206 5.343 ( 2.846 0.000 -2.662) 3.897 6.320 ( -1.200 0.000 0.811) 1.449 6.356 ( 0.029 0.000 -2.442) 2.442 6.421 ( -6.892 0.000 -2.790) 7.435 6.428 ( -7.061 0.000 -3.546) 7.902 7.325 ( 5.060 0.000 6.389) 8.150 7.427 ( -5.758 0.000 4.174) 7.111 7.437 ( 5.502 0.000 -4.662) 7.211 7.461 ( -7.301 0.000 0.775) 7.342 8.329 ( -3.073 0.000 3.133) 4.389 8.378 ( -5.487 0.000 -1.197) 5.616 9.202 ( 27.032 0.000 1.313) 27.064 9.232 ( 28.118 0.000 -1.572) 28.161 10.723 ( 6.867 0.000 3.946) 7.920 10.808 ( 7.443 0.000 -4.274) 8.583 11.115 ( 34.052 0.000 3.981) 34.284 11.244 ( 42.457 0.000 -9.521) 43.512 12.666 ( -5.426 0.000 13.989) 15.005 12.948 ( -6.076 0.000 -12.898) 14.257 13.164 ( -6.123 0.000 1.869) 6.402 13.216 ( -6.308 0.000 -3.473) 7.201 13.563 ( 1.936 0.000 0.372) 1.972 13.569 ( 1.982 0.000 -0.214) 1.993 14.232 ( -1.303 0.000 0.362) 1.352 14.252 ( -1.256 0.000 -1.673) 2.092 14.774 ( -4.390 0.000 3.891) 5.866 14.846 ( -4.628 0.000 -3.085) 5.562 17.207 ( -0.656 0.000 4.623) 4.669 17.275 ( -1.144 0.000 -2.173) 2.456 17.649 ( -5.208 0.000 4.762) 7.057 17.724 ( -7.785 0.000 -2.111) 8.066======================= Grid point 137 (48/60) =======================q-point: ( 0.25 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.139 ( -0.492 0.000 12.579) 12.588 1.160 ( 10.366 0.000 11.418) 15.422 1.358 ( -2.138 0.000 -8.253) 8.525 1.400 ( 8.478 0.000 -11.903) 14.614 1.881 ( 2.002 0.000 2.263) 3.022 1.973 ( 11.397 0.000 1.596) 11.509 1.983 ( 0.903 0.000 -7.473) 7.528 2.009 ( 12.212 0.000 -1.862) 12.353 2.409 ( -2.379 0.000 7.289) 7.668 2.542 ( -2.432 0.000 -5.488) 6.003 2.687 ( 0.989 0.000 6.032) 6.113 2.780 ( 5.014 0.000 -1.494) 5.232 2.801 ( 6.114 0.000 8.032) 10.094 2.937 ( 1.309 0.000 5.382) 5.539 2.965 ( 3.659 0.000 2.204) 4.271 2.971 ( 6.968 0.000 -6.243) 9.355 3.016 ( -2.951 0.000 6.025) 6.709 3.224 ( -3.409 0.000 -6.893) 7.690 3.293 ( -1.257 0.000 5.577) 5.717 3.411 ( -10.610 0.000 -4.152) 11.394 3.426 ( -1.189 0.000 1.121) 1.634 3.514 ( -3.565 0.000 -4.996) 6.138 3.827 ( 0.344 0.000 6.921) 6.930 3.843 ( 1.344 0.000 4.885) 5.067 3.945 ( 2.359 0.000 -4.584) 5.155 3.997 ( 1.651 0.000 -8.575) 8.732 4.057 ( -3.426 0.000 1.886) 3.911 4.137 ( 2.688 0.000 6.904) 7.409 4.168 ( -3.932 0.000 -8.211) 9.104 4.277 ( 0.359 0.000 -5.723) 5.734 4.455 ( 5.886 0.000 2.927) 6.574 4.484 ( 2.857 0.000 1.107) 3.064 4.509 ( 2.469 0.000 -1.551) 2.916 4.528 ( 5.560 0.000 -2.932) 6.286 4.797 ( -1.370 0.000 0.339) 1.412 4.834 ( 0.116 0.000 -3.575) 3.577 4.898 ( -6.979 0.000 5.530) 8.905 5.025 ( -2.091 0.000 -6.447) 6.777 5.169 ( -4.133 0.000 3.538) 5.440 5.227 ( -3.398 0.000 -1.906) 3.896 5.483 ( 12.100 0.000 5.309) 13.213 5.523 ( 10.819 0.000 1.240) 10.889 6.247 ( -9.096 0.000 -5.090) 10.424 6.255 ( -8.696 0.000 -5.408) 10.240 6.329 ( 2.586 0.000 2.124) 3.346 6.381 ( 2.831 0.000 -2.737) 3.938 7.269 ( -9.170 0.000 3.077) 9.673 7.279 ( -9.640 0.000 1.877) 9.821 7.472 ( 8.807 0.000 5.043) 10.149 7.569 ( 7.108 0.000 -4.407) 8.363 8.242 ( -5.381 0.000 2.405) 5.894 8.261 ( -5.883 0.000 0.792) 5.937 9.924 ( 39.837 0.000 1.630) 39.870 9.961 ( 39.421 0.000 -1.944) 39.469 10.920 ( 11.619 0.000 4.516) 12.466 11.018 ( 12.091 0.000 -4.920) 13.054 11.971 ( 44.615 0.000 7.934) 45.315 12.212 ( 46.284 0.000 -16.365) 49.092 12.511 ( -9.014 0.000 12.960) 15.786 12.773 ( -10.258 0.000 -12.088) 15.854 12.969 ( -12.886 0.000 1.866) 13.021 13.017 ( -12.829 0.000 -3.090) 13.196 13.615 ( 2.715 0.000 0.384) 2.743 13.622 ( 2.869 0.000 -0.277) 2.882 14.194 ( -2.224 0.000 0.698) 2.331 14.216 ( -2.158 0.000 -1.414) 2.580 14.641 ( -8.422 0.000 3.136) 8.987 14.704 ( -9.013 0.000 -2.987) 9.495 17.195 ( -0.233 0.000 3.690) 3.697 17.248 ( -1.252 0.000 -1.522) 1.971 17.510 ( -7.575 0.000 3.703) 8.431 17.547 ( -8.205 0.000 0.251) 8.209======================= Grid point 138 (49/60) =======================q-point: ( 0.38 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.270 ( 12.773 0.000 7.738) 14.935 1.398 ( 12.058 0.000 9.075) 15.092 1.427 ( 8.651 0.000 -7.135) 11.213 1.584 ( 8.747 0.000 -9.000) 12.550 1.859 ( -4.502 0.000 2.840) 5.323 1.950 ( -4.188 0.000 -5.883) 7.221 1.961 ( -10.655 0.000 1.777) 10.802 1.982 ( -11.699 0.000 -0.100) 11.699 2.394 ( 1.815 0.000 7.090) 7.318 2.515 ( -0.518 0.000 -4.007) 4.041 2.741 ( 4.539 0.000 6.574) 7.988 2.795 ( -3.200 0.000 4.889) 5.843 2.861 ( 2.700 0.000 -3.642) 4.534 2.921 ( -6.469 0.000 -4.787) 8.048 2.959 ( -0.157 0.000 6.107) 6.109 3.068 ( -4.458 0.000 -3.265) 5.526 3.120 ( 6.889 0.000 4.985) 8.504 3.241 ( 3.821 0.000 -4.566) 5.954 3.334 ( 11.817 0.000 7.429) 13.958 3.370 ( -3.620 0.000 0.593) 3.669 3.451 ( -3.229 0.000 -6.930) 7.645 3.465 ( 14.606 0.000 -3.184) 14.949 3.823 ( -1.892 0.000 5.244) 5.575 3.882 ( -8.527 0.000 0.107) 8.527 3.910 ( 4.318 0.000 4.569) 6.287 3.990 ( 1.460 0.000 -2.833) 3.187 4.076 ( 2.088 0.000 -0.417) 2.130 4.178 ( 1.466 0.000 1.320) 1.973 4.212 ( 8.187 0.000 -11.467) 14.090 4.259 ( -1.865 0.000 -5.585) 5.888 4.487 ( -5.392 0.000 2.408) 5.905 4.546 ( -0.116 0.000 -3.191) 3.193 4.577 ( 5.618 0.000 3.092) 6.413 4.644 ( 5.361 0.000 -2.681) 5.994 4.756 ( -2.612 0.000 1.929) 3.247 4.773 ( -2.140 0.000 8.667) 8.928 4.818 ( -1.933 0.000 -4.037) 4.476 4.944 ( -4.888 0.000 -5.191) 7.130 5.062 ( -5.071 0.000 1.692) 5.346 5.134 ( -5.240 0.000 -3.289) 6.187 5.713 ( 9.328 0.000 2.979) 9.792 5.727 ( 8.382 0.000 1.088) 8.452 6.076 ( -7.014 0.000 -4.128) 8.138 6.089 ( -7.044 0.000 -4.944) 8.605 6.427 ( 6.249 0.000 2.756) 6.830 6.471 ( 5.143 0.000 -1.391) 5.328 7.069 ( -9.092 0.000 2.634) 9.466 7.080 ( -8.999 0.000 1.531) 9.129 7.679 ( 10.769 0.000 2.813) 11.131 7.733 ( 8.674 0.000 -2.544) 9.040 8.103 ( -7.995 0.000 1.933) 8.226 8.117 ( -8.186 0.000 0.619) 8.209 10.728 ( 34.084 0.000 0.781) 34.093 10.749 ( 33.141 0.000 -1.187) 33.163 11.178 ( 12.511 0.000 4.488) 13.292 11.270 ( 10.954 0.000 -4.436) 11.819 12.324 ( -7.822 0.000 11.399) 13.824 12.554 ( -9.619 0.000 -10.504) 14.243 12.633 ( -18.857 0.000 2.797) 19.063 12.704 ( -16.052 0.000 -4.207) 16.594 12.842 ( 37.118 0.000 7.786) 37.926 13.058 ( 33.674 0.000 -13.403) 36.243 13.644 ( -1.204 0.000 1.179) 1.685 13.672 ( 1.032 0.000 -1.407) 1.745 14.148 ( -1.961 0.000 1.387) 2.402 14.170 ( -1.995 0.000 -0.754) 2.133 14.435 ( -10.549 0.000 1.100) 10.606 14.480 ( -11.945 0.000 -3.333) 12.401 17.205 ( 1.231 0.000 2.380) 2.679 17.233 ( -0.066 0.000 -0.325) 0.331 17.368 ( -5.529 0.000 3.256) 6.416 17.398 ( -6.100 0.000 0.226) 6.104======================= Grid point 139 (50/60) =======================q-point: (-0.50 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.591 ( -11.382 0.000 1.806) 11.524 1.591 ( 11.382 0.000 1.806) 11.524 1.629 ( -8.471 0.000 4.213) 9.461 1.629 ( 8.471 0.000 4.213) 9.461 1.716 ( -7.390 0.000 -0.994) 7.457 1.716 ( 7.390 0.000 -0.994) 7.457 1.827 ( -5.920 0.000 -5.165) 7.856 1.827 ( 5.920 0.000 -5.165) 7.856 2.471 ( -4.170 0.000 3.778) 5.627 2.471 ( 4.170 0.000 3.778) 5.627 2.796 ( -4.051 0.000 -2.419) 4.718 2.796 ( 4.051 0.000 -2.419) 4.718 2.855 ( -4.943 0.000 3.781) 6.224 2.855 ( 4.943 0.000 3.781) 6.224 2.955 ( -1.739 0.000 0.368) 1.777 2.955 ( 1.739 0.000 0.368) 1.777 3.243 ( -4.625 0.000 3.735) 5.945 3.243 ( 4.625 0.000 3.735) 5.945 3.370 ( -4.062 0.000 -6.806) 7.926 3.370 ( 4.062 0.000 -6.806) 7.926 3.644 ( -13.783 0.000 3.396) 14.195 3.644 ( 13.783 0.000 3.396) 14.195 3.727 ( -8.641 0.000 -4.365) 9.681 3.727 ( 8.641 0.000 -4.365) 9.681 3.984 ( -2.219 0.000 1.896) 2.919 3.984 ( 2.219 0.000 1.896) 2.919 4.214 ( -2.166 0.000 -3.829) 4.400 4.214 ( 2.166 0.000 -3.829) 4.400 4.236 ( -11.358 0.000 5.406) 12.579 4.236 ( 11.358 0.000 5.406) 12.579 4.441 ( -8.239 0.000 -6.873) 10.729 4.441 ( 8.239 0.000 -6.873) 10.729 4.678 ( -3.890 0.000 2.656) 4.711 4.678 ( 3.890 0.000 2.656) 4.711 4.753 ( -3.969 0.000 -3.373) 5.209 4.753 ( 3.969 0.000 -3.373) 5.209 4.833 ( -5.639 0.000 5.283) 7.727 4.833 ( 5.639 0.000 5.283) 7.727 5.036 ( -3.031 0.000 -4.853) 5.722 5.036 ( 3.031 0.000 -4.853) 5.722 5.836 ( -0.396 0.000 -0.522) 0.655 5.836 ( 0.396 0.000 -0.522) 0.655 5.986 ( -0.658 0.000 -2.143) 2.242 5.986 ( 0.658 0.000 -2.143) 2.242 6.530 ( -1.450 0.000 1.447) 2.049 6.530 ( 1.450 0.000 1.447) 2.049 6.960 ( -0.560 0.000 1.584) 1.680 6.960 ( 0.560 0.000 1.584) 1.680 7.889 ( -4.171 0.000 1.237) 4.351 7.889 ( 4.171 0.000 1.237) 4.351 7.945 ( -3.112 0.000 -0.014) 3.112 7.945 ( 3.112 0.000 -0.014) 3.112 11.132 ( -0.437 0.000 -0.034) 0.438 11.132 ( 0.437 0.000 -0.034) 0.438 11.387 ( -3.390 0.000 0.179) 3.395 11.387 ( 3.390 0.000 0.179) 3.395 12.293 ( -8.745 0.000 7.408) 11.462 12.293 ( 8.745 0.000 7.408) 11.462 12.465 ( -3.699 0.000 -7.937) 8.756 12.465 ( 3.699 0.000 -7.937) 8.756 13.422 ( -14.157 0.000 3.549) 14.596 13.422 ( 14.157 0.000 3.549) 14.596 13.596 ( -8.429 0.000 -5.301) 9.957 13.596 ( 8.429 0.000 -5.301) 9.957 14.137 ( -1.204 0.000 1.243) 1.731 14.137 ( 1.204 0.000 1.243) 1.731 14.302 ( -1.227 0.000 -2.733) 2.996 14.302 ( 1.227 0.000 -2.733) 2.996 17.235 ( -0.804 0.000 1.269) 1.502 17.235 ( 0.804 0.000 1.269) 1.502 17.310 ( -1.219 0.000 1.268) 1.759 17.310 ( 1.219 0.000 1.268) 1.759======================= Grid point 144 (51/60) =======================q-point: ( 0.00 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.013 ( 0.000 6.607 11.913) 13.622 1.110 ( 0.000 1.376 9.419) 9.519 1.284 ( 0.000 -1.311 -2.815) 3.105 1.286 ( 0.000 3.647 -9.158) 9.858 1.580 ( 0.000 7.001 0.135) 7.003 1.581 ( 0.000 8.251 2.767) 8.703 1.860 ( 0.000 8.937 4.764) 10.128 1.993 ( 0.000 8.488 -7.612) 11.401 2.373 ( 0.000 -6.382 11.018) 12.733 2.467 ( 0.000 -6.046 1.120) 6.149 2.575 ( 0.000 -1.110 -0.743) 1.336 2.668 ( 0.000 -1.308 -6.868) 6.991 2.693 ( 0.000 3.591 -2.726) 4.508 2.719 ( 0.000 3.996 -3.634) 5.401 3.013 ( 0.000 0.376 4.734) 4.749 3.017 ( 0.000 2.138 2.206) 3.072 3.103 ( 0.000 -0.828 2.631) 2.758 3.215 ( 0.000 -8.333 -8.245) 11.723 3.489 ( 0.000 -3.618 7.132) 7.998 3.566 ( 0.000 -0.207 -1.373) 1.389 3.577 ( 0.000 -1.895 -1.855) 2.652 3.604 ( 0.000 -3.330 1.322) 3.583 3.819 ( 0.000 -0.400 3.383) 3.407 3.871 ( 0.000 1.102 4.508) 4.641 3.906 ( 0.000 0.601 3.225) 3.281 4.007 ( 0.000 -4.443 0.764) 4.508 4.062 ( 0.000 0.468 -7.102) 7.118 4.149 ( 0.000 -3.034 0.464) 3.070 4.224 ( 0.000 -4.175 1.087) 4.314 4.253 ( 0.000 -6.817 -5.194) 8.570 4.307 ( 0.000 1.872 -1.259) 2.256 4.314 ( 0.000 3.774 -1.199) 3.960 4.477 ( 0.000 5.248 3.628) 6.380 4.556 ( 0.000 5.510 -3.971) 6.792 4.822 ( 0.000 0.327 -1.571) 1.604 4.827 ( 0.000 1.230 -2.381) 2.680 4.947 ( 0.000 1.856 4.572) 4.934 5.033 ( 0.000 0.482 -2.530) 2.576 5.116 ( 0.000 -1.908 2.937) 3.503 5.200 ( 0.000 -2.080 -4.296) 4.773 5.232 ( 0.000 -2.777 3.454) 4.432 5.308 ( 0.000 -2.890 -4.117) 5.030 6.357 ( 0.000 1.065 -0.740) 1.297 6.366 ( 0.000 0.795 -1.348) 1.565 6.507 ( 0.000 0.557 -0.971) 1.119 6.510 ( 0.000 0.457 -1.282) 1.361 7.227 ( 0.000 -3.320 3.666) 4.946 7.263 ( 0.000 -5.688 0.394) 5.701 7.659 ( 0.000 9.879 1.568) 10.003 7.663 ( 0.000 12.113 0.789) 12.139 8.317 ( 0.000 -4.807 3.193) 5.771 8.380 ( 0.000 -7.153 -2.644) 7.626 8.910 ( 0.000 0.218 0.164) 0.273 8.914 ( 0.000 0.114 -0.198) 0.228 10.665 ( 0.000 1.269 2.730) 3.010 10.710 ( 0.000 -0.717 -1.332) 1.512 10.743 ( 0.000 1.213 0.654) 1.378 10.768 ( 0.000 2.087 -1.999) 2.890 12.741 ( 0.000 1.893 10.040) 10.217 12.971 ( 0.000 -4.000 -11.776) 12.437 13.232 ( 0.000 0.454 1.435) 1.506 13.270 ( 0.000 -0.859 -2.379) 2.529 13.580 ( 0.000 2.980 0.086) 2.981 13.583 ( 0.000 3.477 -0.290) 3.489 14.249 ( 0.000 0.326 0.133) 0.352 14.265 ( 0.000 0.002 -1.559) 1.559 14.816 ( 0.000 -0.343 3.460) 3.477 14.877 ( 0.000 -1.749 -2.440) 3.002 17.250 ( 0.000 3.687 4.697) 5.971 17.316 ( 0.000 2.859 -1.969) 3.472 17.663 ( 0.000 -4.363 4.720) 6.427 17.738 ( 0.000 -7.494 -2.238) 7.821======================= Grid point 145 (52/60) =======================q-point: ( 0.12 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.041 ( 2.395 3.564 13.215) 13.895 1.280 ( 2.075 0.326 -6.668) 6.990 1.305 ( 4.773 7.796 9.751) 13.365 1.501 ( 9.777 5.595 -6.974) 13.248 1.585 ( 10.780 2.475 2.142) 11.266 1.644 ( 10.477 5.110 -1.946) 11.818 1.896 ( 3.223 7.024 2.653) 8.170 2.005 ( 1.230 5.685 -7.796) 9.727 2.408 ( 2.273 -4.231 8.520) 9.781 2.539 ( 4.623 -4.687 -1.442) 6.739 2.624 ( 4.197 0.494 3.263) 5.339 2.694 ( -0.078 2.754 -1.072) 2.957 2.699 ( 3.856 1.907 1.302) 4.494 2.801 ( 7.458 0.401 -6.595) 9.964 2.968 ( -2.776 0.415 4.637) 5.421 3.002 ( -1.908 1.865 1.362) 2.996 3.077 ( -2.701 -0.518 4.508) 5.281 3.204 ( -0.796 -7.977 -6.928) 10.596 3.433 ( -5.272 -1.892 7.038) 8.995 3.468 ( -7.561 1.018 0.768) 7.668 3.546 ( -4.253 -3.146 -4.797) 7.141 3.553 ( -2.982 -4.671 -4.494) 7.135 3.801 ( -1.547 -1.553 3.451) 4.088 3.850 ( -3.828 -1.101 1.936) 4.429 3.896 ( -1.083 0.258 1.809) 2.124 4.001 ( 3.144 -2.247 6.930) 7.935 4.045 ( -0.715 1.255 -4.788) 5.001 4.147 ( -0.906 -1.213 1.382) 2.050 4.205 ( -1.610 -3.088 -2.935) 4.554 4.247 ( 1.346 -2.117 -6.239) 6.724 4.353 ( 3.392 -0.373 -0.024) 3.413 4.381 ( 4.110 -1.748 -1.133) 4.607 4.474 ( 0.619 5.075 4.080) 6.541 4.567 ( 0.908 6.495 -4.482) 7.943 4.810 ( -0.475 -0.405 -1.148) 1.306 4.821 ( -0.188 0.027 -2.386) 2.394 5.005 ( -3.252 -0.449 0.908) 3.406 5.020 ( 3.440 1.201 -0.489) 3.676 5.198 ( 2.596 -0.859 1.822) 3.286 5.221 ( 2.834 -1.465 0.591) 3.245 5.274 ( 5.829 -1.077 1.603) 6.141 5.322 ( 3.920 -2.080 -2.211) 4.958 6.336 ( -1.053 1.358 0.071) 1.720 6.359 ( -0.710 0.268 -2.251) 2.376 6.426 ( -6.912 0.529 -2.409) 7.339 6.437 ( -6.336 0.798 -3.286) 7.182 7.255 ( 2.315 -4.093 3.859) 6.083 7.293 ( 1.276 -5.691 0.456) 5.850 7.586 ( -5.330 9.834 3.315) 11.666 7.625 ( -2.695 10.639 -0.826) 11.006 8.285 ( -2.666 -4.347 2.386) 5.631 8.315 ( -4.539 -6.093 -0.105) 7.599 9.211 ( 27.375 0.888 0.979) 27.406 9.236 ( 28.182 0.342 -1.416) 28.220 10.741 ( 6.885 1.706 3.174) 7.771 10.807 ( 7.608 -0.126 -3.251) 8.274 11.128 ( 34.009 1.282 3.289) 34.192 11.231 ( 40.641 -1.326 -7.286) 41.310 12.686 ( -5.223 2.098 9.593) 11.123 12.911 ( -5.693 -3.602 -11.724) 13.522 13.169 ( -6.100 0.472 1.459) 6.290 13.207 ( -6.153 -0.762 -2.320) 6.620 13.595 ( 1.491 2.753 0.218) 3.139 13.600 ( 1.609 2.887 -0.259) 3.315 14.235 ( -1.290 0.347 0.236) 1.357 14.252 ( -1.237 0.018 -1.501) 1.945 14.768 ( -4.505 -0.470 3.349) 5.633 14.827 ( -4.708 -1.841 -2.356) 5.577 17.238 ( -1.016 3.253 4.456) 5.610 17.300 ( -1.380 2.584 -1.840) 3.460 17.610 ( -4.828 -3.934 3.981) 7.392 17.661 ( -6.574 -6.104 -0.558) 8.988======================= Grid point 146 (53/60) =======================q-point: ( 0.25 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.096 ( 3.648 -0.736 10.637) 11.269 1.279 ( 0.955 -5.393 -6.540) 8.531 1.355 ( 4.279 15.229 10.247) 18.847 1.563 ( 3.795 13.379 -10.070) 17.170 1.916 ( 6.127 1.724 1.566) 6.555 1.966 ( 9.479 0.830 -1.784) 9.681 1.990 ( 6.283 -0.079 -0.260) 6.289 2.038 ( 3.458 2.503 -4.728) 6.370 2.425 ( -0.552 1.351 6.768) 6.924 2.559 ( -0.713 0.917 -5.644) 5.762 2.683 ( -0.121 -0.095 4.780) 4.782 2.748 ( 4.778 -2.390 1.492) 5.547 2.822 ( 4.992 1.759 4.172) 6.740 2.915 ( 0.516 -1.243 0.286) 1.376 2.965 ( 2.872 0.420 3.562) 4.595 3.006 ( -0.828 0.164 8.653) 8.694 3.022 ( 6.239 2.345 -3.526) 7.540 3.191 ( 0.036 -3.425 -4.496) 5.652 3.300 ( -2.617 0.524 2.316) 3.533 3.368 ( -6.236 -3.838 0.952) 7.384 3.415 ( -3.866 -1.444 -3.370) 5.328 3.495 ( -2.624 -2.213 -6.039) 6.946 3.757 ( -1.284 -5.338 2.181) 5.908 3.806 ( -0.138 -3.959 -0.013) 3.961 3.880 ( -0.919 -1.436 4.142) 4.479 4.030 ( -0.555 -1.160 1.641) 2.085 4.079 ( 0.229 -1.005 -3.280) 3.438 4.119 ( -0.430 1.353 -2.112) 2.545 4.190 ( 1.465 2.220 -0.311) 2.678 4.276 ( 1.177 -0.353 -6.459) 6.574 4.434 ( 4.093 -2.191 1.641) 4.924 4.470 ( 4.548 -2.522 -1.414) 5.389 4.521 ( 3.833 3.915 3.047) 6.269 4.597 ( 2.179 4.933 -3.385) 6.367 4.794 ( -1.265 -0.067 -0.407) 1.331 4.822 ( -0.227 -0.932 -3.464) 3.595 4.901 ( -6.125 0.009 4.957) 7.879 5.025 ( -2.547 -0.736 -6.422) 6.948 5.166 ( -3.694 0.082 2.912) 4.705 5.215 ( -3.301 -0.887 -1.723) 3.827 5.484 ( 12.311 0.166 5.033) 13.301 5.517 ( 11.161 -0.566 1.680) 11.301 6.244 ( -8.982 -0.252 -5.005) 10.286 6.250 ( -8.597 -0.357 -5.156) 10.032 6.357 ( 2.891 2.595 1.493) 4.162 6.401 ( 2.989 1.685 -2.544) 4.271 7.242 ( -5.935 -2.248 2.360) 6.772 7.245 ( -6.098 -2.489 2.021) 6.890 7.543 ( 3.435 6.127 4.600) 8.396 7.620 ( 3.155 4.482 -3.001) 6.249 8.209 ( -4.830 -3.331 2.123) 6.240 8.222 ( -4.854 -3.737 0.988) 6.205 9.936 ( 39.757 1.090 1.282) 39.793 9.966 ( 39.446 0.395 -1.657) 39.483 10.938 ( 11.537 1.720 3.683) 12.232 11.017 ( 12.014 -0.169 -3.986) 12.659 11.983 ( 44.263 1.271 6.950) 44.823 12.167 ( 43.676 -4.111 -9.472) 44.880 12.543 ( -6.876 2.861 5.815) 9.448 12.746 ( -9.602 -2.740 -11.553) 15.270 12.974 ( -12.717 0.595 1.479) 12.816 13.011 ( -12.617 -0.512 -2.212) 12.820 13.640 ( 2.524 2.164 0.333) 3.341 13.646 ( 2.517 2.189 -0.260) 3.346 14.198 ( -2.252 0.353 0.574) 2.350 14.216 ( -2.133 0.066 -1.300) 2.499 14.632 ( -8.606 -0.773 2.667) 9.043 14.684 ( -9.107 -2.000 -2.316) 9.608 17.217 ( -0.736 2.263 3.661) 4.367 17.267 ( -1.616 1.912 -1.312) 2.826 17.480 ( -7.028 -3.063 3.561) 8.453 17.511 ( -7.064 -3.477 0.493) 7.889======================= Grid point 147 (54/60) =======================q-point: ( 0.38 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.264 ( 13.162 -0.162 6.222) 14.560 1.387 ( 9.768 -3.396 -5.254) 11.600 1.506 ( 9.204 10.155 8.073) 15.906 1.677 ( 6.261 8.420 -8.295) 13.376 1.906 ( -4.599 3.781 2.008) 6.283 1.956 ( -10.003 -0.528 1.805) 10.179 1.959 ( -7.768 0.262 -1.775) 7.973 1.995 ( -7.635 1.597 -3.077) 8.386 2.433 ( 2.294 4.009 6.396) 7.889 2.552 ( -0.192 3.333 -4.272) 5.422 2.724 ( 3.070 -1.427 5.832) 6.743 2.781 ( -1.263 -1.433 3.412) 3.911 2.837 ( -1.128 -2.687 -2.822) 4.057 2.868 ( -1.614 -2.977 -3.290) 4.721 2.982 ( -1.959 0.999 6.658) 7.011 3.076 ( -2.172 0.197 -0.429) 2.223 3.154 ( 3.403 3.321 1.587) 5.012 3.254 ( 4.506 1.190 -4.739) 6.647 3.312 ( 9.118 -1.359 6.359) 11.199 3.386 ( -0.183 1.059 1.461) 1.813 3.442 ( 6.017 -1.929 -3.133) 7.052 3.457 ( 6.896 -0.474 -5.747) 8.989 3.765 ( 0.494 -8.214 1.185) 8.314 3.798 ( -2.106 -3.847 -0.040) 4.385 3.855 ( -0.339 -3.207 5.142) 6.069 4.009 ( -1.647 1.141 -2.506) 3.208 4.034 ( -1.081 -4.829 0.784) 5.010 4.124 ( -0.915 -6.254 -6.544) 9.098 4.254 ( 3.186 6.165 -0.545) 6.961 4.305 ( 2.443 3.428 -5.295) 6.764 4.495 ( 0.629 -1.015 2.739) 2.988 4.552 ( 2.115 -1.299 -3.099) 3.970 4.613 ( 4.034 3.914 1.526) 5.824 4.660 ( 4.158 2.487 -0.820) 4.914 4.746 ( -4.672 -0.058 4.019) 6.163 4.769 ( -0.677 0.215 0.987) 1.216 4.832 ( -1.395 0.516 -1.337) 2.000 4.937 ( -5.280 -0.814 -5.774) 7.866 5.057 ( -5.784 -0.417 1.769) 6.063 5.117 ( -5.689 -1.537 -2.777) 6.514 5.718 ( 9.567 0.441 2.853) 9.993 5.728 ( 8.794 0.129 1.403) 8.906 6.071 ( -7.287 -0.429 -4.168) 8.406 6.082 ( -7.315 -0.654 -4.821) 8.785 6.468 ( 7.147 3.863 2.245) 8.429 6.505 ( 6.315 3.139 -1.253) 7.163 7.060 ( -9.562 -0.901 2.619) 9.955 7.071 ( -9.392 -0.955 1.536) 9.564 7.692 ( 9.451 1.402 2.605) 9.904 7.739 ( 7.629 0.544 -1.984) 7.901 8.083 ( -7.377 -1.954 1.767) 7.834 8.094 ( -7.587 -2.196 0.714) 7.931 10.740 ( 34.380 1.095 0.709) 34.405 10.758 ( 33.772 0.829 -1.050) 33.798 11.188 ( 11.614 1.059 3.743) 12.248 11.266 ( 10.561 -0.524 -3.770) 11.226 12.328 ( -7.422 0.658 9.952) 12.432 12.512 ( -7.890 -3.999 -6.839) 11.181 12.629 ( -16.727 -0.062 2.416) 16.901 12.687 ( -15.347 -1.497 -2.911) 15.692 12.888 ( 33.469 4.032 3.199) 33.863 13.052 ( 33.396 -0.668 -11.997) 35.492 13.668 ( -1.146 2.231 0.818) 2.638 13.688 ( 0.680 1.523 -1.050) 1.971 14.150 ( -1.993 0.299 1.183) 2.337 14.171 ( -1.957 0.140 -0.859) 2.142 14.420 ( -10.986 -1.378 0.878) 11.107 14.457 ( -12.161 -2.291 -2.713) 12.669 17.216 ( 0.754 1.169 2.422) 2.793 17.243 ( -0.469 1.091 -0.258) 1.215 17.351 ( -4.915 -1.681 3.158) 6.079 17.379 ( -5.479 -1.842 0.258) 5.786======================= Grid point 148 (55/60) =======================q-point: (-0.50 0.20 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.581 ( -9.308 -0.163 1.953) 9.512 1.581 ( 9.308 -0.163 1.953) 9.512 1.666 ( -5.406 0.584 0.801) 5.496 1.666 ( 5.406 0.584 0.801) 5.496 1.734 ( -0.192 4.221 1.342) 4.433 1.734 ( 0.192 4.221 1.342) 4.433 1.878 ( -4.629 4.064 -4.137) 7.420 1.878 ( 4.629 4.064 -4.137) 7.420 2.509 ( -3.974 3.865 3.257) 6.430 2.509 ( 3.974 3.865 3.257) 6.430 2.755 ( -3.215 -3.565 -1.997) 5.199 2.755 ( 3.215 -3.565 -1.997) 5.199 2.856 ( -4.293 0.255 3.196) 5.358 2.856 ( 4.293 0.255 3.196) 5.358 2.966 ( -3.218 0.312 0.822) 3.336 2.966 ( 3.218 0.312 0.822) 3.336 3.258 ( -4.749 1.712 3.928) 6.396 3.258 ( 4.749 1.712 3.928) 6.396 3.371 ( -3.748 0.058 -5.938) 7.022 3.371 ( 3.748 0.058 -5.938) 7.022 3.635 ( -11.134 -1.243 1.945) 11.371 3.635 ( 11.134 -1.243 1.945) 11.371 3.702 ( -6.091 -2.421 -3.940) 7.648 3.702 ( 6.091 -2.421 -3.940) 7.648 3.948 ( -5.548 -3.321 2.910) 7.090 3.948 ( 5.548 -3.321 2.910) 7.090 4.060 ( -3.694 -8.675 -1.739) 9.587 4.060 ( 3.694 -8.675 -1.739) 9.587 4.321 ( -2.972 4.479 -0.806) 5.436 4.321 ( 2.972 4.479 -0.806) 5.436 4.512 ( -3.912 3.255 -2.407) 5.629 4.512 ( 3.912 3.255 -2.407) 5.629 4.683 ( -2.886 1.247 2.699) 4.144 4.683 ( 2.886 1.247 2.699) 4.144 4.758 ( -4.534 1.164 -3.830) 6.048 4.758 ( 4.534 1.164 -3.830) 6.048 4.831 ( -4.955 -0.266 3.753) 6.222 4.831 ( 4.955 -0.266 3.753) 6.222 5.014 ( -2.842 -2.317 -4.378) 5.711 5.014 ( 2.842 -2.317 -4.378) 5.711 5.850 ( -0.360 1.380 -0.648) 1.567 5.850 ( 0.360 1.380 -0.648) 1.567 5.970 ( -0.618 -1.588 -1.893) 2.547 5.970 ( 0.618 -1.588 -1.893) 2.547 6.588 ( -1.358 5.727 1.338) 6.036 6.588 ( 1.358 5.727 1.338) 6.036 6.936 ( -0.649 -2.664 1.559) 3.154 6.936 ( 0.649 -2.664 1.559) 3.154 7.888 ( -4.115 -0.107 1.168) 4.279 7.888 ( 4.115 -0.107 1.168) 4.279 7.930 ( -3.138 -1.436 0.131) 3.454 7.930 ( 3.138 -1.436 0.131) 3.454 11.161 ( -0.773 2.919 -0.051) 3.021 11.161 ( 0.773 2.919 -0.051) 3.021 11.368 ( -3.239 -2.035 0.148) 3.828 11.368 ( 3.239 -2.035 0.148) 3.828 12.302 ( -8.606 1.019 6.107) 10.602 12.302 ( 8.606 1.019 6.107) 10.602 12.439 ( -4.327 -2.513 -6.183) 7.954 12.439 ( 4.327 -2.513 -6.183) 7.954 13.456 ( -13.773 3.373 2.429) 14.386 13.456 ( 13.773 3.373 2.429) 14.386 13.598 ( -9.070 -0.055 -4.617) 10.177 13.598 ( 9.070 -0.055 -4.617) 10.177 14.141 ( -1.232 0.475 0.898) 1.596 14.141 ( 1.232 0.475 0.898) 1.596 14.277 ( -0.899 -2.579 -2.357) 3.608 14.277 ( 0.899 -2.579 -2.357) 3.608 17.240 ( -0.798 0.505 1.267) 1.580 17.240 ( 0.798 0.505 1.267) 1.580 17.301 ( -1.140 -0.974 1.268) 1.964 17.301 ( 1.140 -0.974 1.268) 1.964======================= Grid point 153 (56/60) =======================q-point: ( 0.00 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.107 ( 0.000 3.796 9.295) 10.041 1.143 ( 0.000 1.253 7.359) 7.464 1.233 ( 0.000 -4.039 0.222) 4.045 1.236 ( 0.000 -2.825 0.707) 2.912 1.852 ( 0.000 17.265 0.102) 17.265 1.890 ( 0.000 18.288 -4.975) 18.953 2.019 ( 0.000 6.143 4.773) 7.779 2.102 ( 0.000 0.569 -3.631) 3.676 2.200 ( 0.000 -9.503 5.861) 11.166 2.297 ( 0.000 -12.099 -3.967) 12.733 2.584 ( 0.000 1.802 0.450) 1.857 2.628 ( 0.000 -2.556 -2.619) 3.660 2.743 ( 0.000 1.461 -3.772) 4.045 2.761 ( 0.000 -0.004 -4.534) 4.534 2.996 ( 0.000 -0.619 3.497) 3.552 3.039 ( 0.000 -3.996 -0.197) 4.001 3.107 ( 0.000 2.002 -0.403) 2.043 3.126 ( 0.000 1.980 -0.432) 2.027 3.417 ( 0.000 -2.036 4.713) 5.134 3.470 ( 0.000 -6.455 0.305) 6.463 3.578 ( 0.000 1.538 3.368) 3.703 3.602 ( 0.000 -0.197 4.372) 4.376 3.831 ( 0.000 2.330 -2.998) 3.797 3.883 ( 0.000 0.420 7.260) 7.272 3.897 ( 0.000 -1.066 8.316) 8.384 3.909 ( 0.000 -5.320 -4.971) 7.281 4.082 ( 0.000 1.551 -8.751) 8.888 4.112 ( 0.000 -1.359 -3.670) 3.914 4.158 ( 0.000 -2.599 -1.869) 3.201 4.161 ( 0.000 -2.241 1.554) 2.727 4.341 ( 0.000 1.621 -1.097) 1.957 4.356 ( 0.000 0.471 -2.216) 2.266 4.563 ( 0.000 3.541 2.779) 4.501 4.603 ( 0.000 -0.364 -1.193) 1.247 4.842 ( 0.000 1.684 0.024) 1.684 4.857 ( 0.000 0.894 -0.961) 1.313 4.986 ( 0.000 1.871 3.686) 4.134 5.015 ( 0.000 -1.799 2.546) 3.117 5.109 ( 0.000 1.400 -2.560) 2.918 5.150 ( 0.000 -2.814 -4.877) 5.631 5.205 ( 0.000 0.349 0.715) 0.796 5.245 ( 0.000 -3.368 -2.948) 4.476 6.374 ( 0.000 0.609 -1.187) 1.334 6.377 ( 0.000 0.273 -1.390) 1.417 6.518 ( 0.000 0.394 -0.816) 0.906 6.518 ( 0.000 0.306 -0.918) 0.967 7.183 ( 0.000 -1.079 2.212) 2.461 7.191 ( 0.000 -2.016 1.487) 2.505 7.854 ( 0.000 9.005 2.322) 9.299 7.870 ( 0.000 8.023 0.569) 8.043 8.206 ( 0.000 -5.546 1.458) 5.735 8.223 ( 0.000 -7.725 0.179) 7.727 8.914 ( 0.000 0.138 0.080) 0.159 8.915 ( 0.000 -0.011 -0.059) 0.060 10.686 ( 0.000 0.852 0.664) 1.080 10.699 ( 0.000 -0.581 -0.570) 0.814 10.775 ( 0.000 1.744 1.083) 2.054 10.792 ( 0.000 0.195 -0.572) 0.604 12.796 ( 0.000 3.875 0.920) 3.983 12.882 ( 0.000 -5.039 -7.124) 8.726 13.243 ( 0.000 0.679 0.474) 0.828 13.256 ( 0.000 -0.674 -0.759) 1.015 13.633 ( 0.000 1.991 0.045) 1.991 13.638 ( 0.000 1.632 -0.375) 1.674 14.257 ( 0.000 0.473 -0.313) 0.567 14.264 ( 0.000 -0.205 -1.019) 1.039 14.815 ( 0.000 0.527 1.818) 1.892 14.839 ( 0.000 -1.914 -0.487) 1.975 17.346 ( 0.000 5.932 3.295) 6.786 17.383 ( 0.000 3.184 -0.611) 3.242 17.566 ( 0.000 -4.854 2.759) 5.583 17.580 ( 0.000 -7.433 1.876) 7.666======================= Grid point 154 (57/60) =======================q-point: ( 0.12 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.105 ( -1.036 3.845 9.143) 9.972 1.196 ( -2.328 -5.642 1.323) 6.246 1.436 ( 20.903 3.815 5.086) 21.848 1.489 ( 21.808 -2.451 0.371) 21.948 1.806 ( -3.078 15.035 0.748) 15.365 1.882 ( -2.649 13.449 -4.931) 14.567 2.005 ( 0.732 2.448 0.792) 2.675 2.050 ( -1.304 -2.708 -3.636) 4.717 2.319 ( 8.935 -2.133 3.228) 9.736 2.409 ( 7.744 -8.644 -4.330) 12.387 2.659 ( 4.660 3.030 3.928) 6.807 2.710 ( 3.839 -1.356 3.977) 5.691 2.750 ( 2.938 3.223 -3.674) 5.702 2.801 ( 5.395 -1.231 -5.108) 7.531 2.955 ( -2.763 -1.001 3.315) 4.430 2.991 ( -3.664 -4.166 0.562) 5.577 3.094 ( -1.957 2.157 1.133) 3.125 3.117 ( -0.523 0.608 -0.562) 0.979 3.383 ( -3.026 -1.409 4.256) 5.408 3.437 ( -3.144 -6.192 0.865) 6.998 3.491 ( -8.290 1.114 -2.101) 8.624 3.510 ( -6.207 -1.070 -2.394) 6.738 3.785 ( -3.308 0.182 -0.436) 3.342 3.810 ( -5.311 -2.282 -1.718) 6.030 3.913 ( 0.564 1.198 7.646) 7.760 3.945 ( 2.381 -2.390 10.422) 10.955 4.100 ( 1.448 3.132 -9.092) 9.724 4.132 ( 0.257 -0.364 -1.244) 1.322 4.161 ( 0.854 -1.198 -0.990) 1.774 4.188 ( 2.747 -3.358 -3.339) 5.475 4.338 ( 1.090 -0.323 -1.047) 1.545 4.351 ( 1.119 -1.482 -1.593) 2.447 4.586 ( 1.298 5.408 3.222) 6.428 4.640 ( 1.846 0.382 -1.613) 2.481 4.813 ( -1.223 0.808 -0.458) 1.536 4.827 ( -1.361 0.019 -1.235) 1.838 4.989 ( -2.822 0.095 -0.297) 2.839 5.019 ( -0.156 -1.722 -2.518) 3.055 5.207 ( 1.088 1.166 0.614) 1.708 5.216 ( 4.546 1.397 -0.144) 4.758 5.247 ( 8.252 -1.416 1.572) 8.519 5.273 ( 6.690 -2.823 -0.891) 7.316 6.357 ( -1.383 0.650 -1.310) 2.012 6.362 ( -1.549 -0.014 -1.963) 2.500 6.441 ( -6.197 0.870 -1.951) 6.555 6.449 ( -5.611 0.183 -2.549) 6.165 7.206 ( 1.837 -0.990 2.351) 3.144 7.218 ( 1.718 -2.286 1.233) 3.114 7.766 ( -6.795 7.837 3.418) 10.922 7.795 ( -6.140 5.616 0.498) 8.336 8.188 ( -1.743 -4.856 1.252) 5.309 8.191 ( -1.542 -5.152 1.051) 5.480 9.229 ( 28.017 0.842 0.168) 28.030 9.239 ( 28.293 -0.174 -0.788) 28.305 10.776 ( 7.176 1.733 1.163) 7.474 10.800 ( 7.618 -0.775 -1.162) 7.745 11.159 ( 34.702 1.997 1.321) 34.785 11.198 ( 37.094 -2.048 -2.519) 37.236 12.743 ( -4.990 3.951 0.481) 6.383 12.828 ( -5.144 -4.825 -7.360) 10.194 13.181 ( -6.074 0.685 0.505) 6.134 13.193 ( -6.074 -0.673 -0.741) 6.156 13.644 ( 1.050 1.797 0.122) 2.085 13.648 ( 1.049 1.464 -0.255) 1.819 14.244 ( -1.247 0.501 -0.227) 1.363 14.251 ( -1.215 -0.203 -0.956) 1.560 14.765 ( -4.735 0.413 1.762) 5.069 14.788 ( -4.820 -1.949 -0.461) 5.219 17.323 ( -2.060 5.205 3.384) 6.541 17.360 ( -2.084 2.606 -0.519) 3.377 17.520 ( -4.203 -4.574 2.919) 6.864 17.534 ( -3.917 -5.766 1.613) 7.155======================= Grid point 155 (58/60) =======================q-point: ( 0.25 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.109 ( 3.048 2.221 5.467) 6.641 1.177 ( 2.084 -4.853 -0.943) 5.365 1.659 ( 1.653 14.968 7.939) 17.024 1.797 ( -1.215 6.487 -3.791) 7.611 1.901 ( 12.236 -1.462 0.949) 12.360 1.949 ( 8.487 -2.492 -2.898) 9.308 2.036 ( 1.687 2.992 -1.123) 3.614 2.064 ( 1.472 0.041 -3.554) 3.847 2.458 ( 3.972 2.789 2.714) 5.561 2.534 ( 3.860 -3.910 -3.393) 6.458 2.693 ( -1.301 1.073 0.330) 1.718 2.714 ( 1.210 -1.079 -0.133) 1.626 2.870 ( 1.260 3.145 3.078) 4.577 2.913 ( -1.827 0.591 -0.706) 2.046 2.951 ( 3.514 -0.822 8.145) 8.908 3.004 ( 6.403 -2.810 3.865) 7.989 3.056 ( 5.403 2.411 3.671) 6.963 3.118 ( 2.087 -3.393 -1.027) 4.114 3.300 ( -4.618 -0.563 3.199) 5.646 3.312 ( -5.445 -0.936 -0.701) 5.569 3.390 ( -1.681 -0.236 -6.460) 6.680 3.430 ( 0.043 -3.910 -7.889) 8.805 3.702 ( -3.837 -0.343 0.085) 3.853 3.730 ( -2.633 -3.096 -2.472) 4.757 3.893 ( -2.165 2.248 8.279) 8.848 3.958 ( -0.990 -4.344 7.999) 9.156 4.090 ( -2.464 0.813 -7.634) 8.062 4.110 ( -2.359 -1.068 -3.766) 4.570 4.245 ( 6.197 2.517 0.232) 6.693 4.273 ( 5.381 -0.203 -2.325) 5.866 4.395 ( 3.506 -1.045 -0.299) 3.670 4.416 ( 4.090 -2.731 -1.691) 5.201 4.611 ( 1.801 4.668 3.553) 6.136 4.661 ( 0.846 0.370 0.090) 0.927 4.797 ( -0.919 0.445 -1.158) 1.544 4.810 ( -0.601 -0.556 -2.493) 2.624 4.911 ( -4.229 2.158 -0.786) 4.812 4.979 ( -3.139 -3.885 -5.849) 7.691 5.180 ( -3.503 1.284 1.541) 4.036 5.201 ( -3.426 -0.783 -0.439) 3.542 5.491 ( 12.515 0.568 4.055) 13.168 5.504 ( 11.959 -0.787 2.703) 12.286 6.241 ( -8.844 -0.006 -4.911) 10.116 6.244 ( -8.718 -0.274 -4.989) 10.048 6.407 ( 3.520 2.127 0.041) 4.113 6.424 ( 3.530 0.349 -1.563) 3.876 7.207 ( -3.412 -1.029 1.938) 4.057 7.209 ( -4.020 -1.162 1.862) 4.580 7.658 ( -1.527 5.055 3.267) 6.210 7.692 ( -1.775 1.842 -0.043) 2.559 8.142 ( -3.033 -2.473 1.671) 4.255 8.150 ( -3.025 -3.018 0.902) 4.367 9.958 ( 39.634 1.059 0.356) 39.650 9.970 ( 39.530 -0.165 -0.798) 39.538 10.976 ( 11.517 2.040 1.386) 11.778 11.006 ( 11.762 -1.097 -1.569) 11.917 12.020 ( 43.336 2.701 4.171) 43.620 12.085 ( 42.499 -4.137 -0.919) 42.710 12.606 ( -6.601 3.743 -3.374) 8.304 12.680 ( -8.123 -4.004 -9.006) 12.772 12.988 ( -12.397 0.770 0.530) 12.432 13.001 ( -12.335 -0.594 -0.740) 12.372 13.678 ( 2.158 1.485 0.241) 2.630 13.682 ( 2.140 1.145 -0.160) 2.433 14.207 ( -2.214 0.591 0.026) 2.292 14.216 ( -2.111 -0.223 -0.820) 2.276 14.622 ( -9.018 0.095 1.317) 9.114 14.642 ( -9.225 -1.964 -0.608) 9.452 17.276 ( -2.113 3.619 3.198) 5.271 17.308 ( -2.535 1.484 -0.087) 2.939 17.414 ( -5.377 -2.688 3.017) 6.726 17.436 ( -5.124 -3.859 0.697) 6.453======================= Grid point 156 (59/60) =======================q-point: ( 0.38 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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| 1.275 ( 12.960 1.520 2.622) 13.309 1.321 ( 11.723 -3.207 -1.672) 12.268 1.718 ( 4.197 10.593 5.534) 12.667 1.817 ( 3.002 3.070 -3.193) 5.351 1.926 ( -8.888 -0.920 0.526) 8.951 1.942 ( -8.014 -0.563 -0.519) 8.050 1.991 ( -6.197 2.189 0.289) 6.579 2.013 ( -5.153 -0.121 -2.054) 5.548 2.527 ( 3.327 5.170 2.826) 6.767 2.592 ( 2.127 -0.686 -2.649) 3.466 2.712 ( -0.293 0.823 2.251) 2.415 2.744 ( 0.317 -2.217 -0.624) 2.325 2.797 ( -3.573 -0.347 0.762) 3.670 2.822 ( 1.020 -2.267 -1.633) 2.975 3.007 ( -2.391 2.310 6.515) 7.314 3.060 ( -2.962 -2.278 1.624) 4.075 3.220 ( 1.988 3.395 1.219) 4.118 3.266 ( 4.415 -0.673 -2.528) 5.131 3.308 ( 11.515 1.324 5.065) 12.649 3.367 ( 13.388 -4.671 2.670) 14.429 3.411 ( 1.004 1.533 -0.733) 1.974 3.444 ( 2.530 -1.342 -5.254) 5.984 3.656 ( -0.348 -1.772 -2.303) 2.926 3.698 ( -0.755 -5.141 -5.099) 7.280 3.851 ( -1.151 2.233 6.557) 7.022 3.929 ( -1.216 -5.444 4.590) 7.224 4.018 ( -4.131 0.035 -7.212) 8.311 4.038 ( -4.806 -2.386 -5.112) 7.411 4.356 ( 3.962 4.654 0.453) 6.129 4.381 ( 3.885 3.760 -1.899) 5.730 4.452 ( 2.205 -2.697 2.214) 4.128 4.485 ( 2.176 -4.573 -0.792) 5.126 4.683 ( 4.700 2.704 2.151) 5.833 4.703 ( 3.151 0.696 3.507) 4.766 4.773 ( -0.745 1.603 -1.160) 2.114 4.781 ( -2.139 0.952 -2.608) 3.505 4.840 ( -1.988 1.611 -2.664) 3.694 4.901 ( -3.764 -3.228 -6.511) 8.184 5.059 ( -7.709 0.897 1.471) 7.899 5.086 ( -7.255 -1.712 -0.947) 7.514 5.726 ( 9.894 0.391 2.505) 10.213 5.730 ( 9.585 0.021 1.990) 9.789 6.065 ( -7.782 -0.091 -4.391) 8.936 6.069 ( -7.795 -0.553 -4.645) 9.091 6.542 ( 9.070 3.079 0.997) 9.631 6.558 ( 8.850 1.543 -0.467) 8.996 7.043 ( -10.793 -0.574 2.363) 11.063 7.049 ( -10.616 -1.090 1.787) 10.820 7.725 ( 6.806 1.760 1.661) 7.223 7.745 ( 5.985 -0.224 -0.304) 5.997 8.047 ( -6.175 -1.181 1.344) 6.429 8.053 ( -6.380 -1.657 0.853) 6.647 10.762 ( 34.932 0.996 0.315) 34.948 10.770 ( 34.818 0.203 -0.468) 34.822 11.215 ( 10.113 1.739 1.447) 10.363 11.247 ( 9.860 -1.455 -1.614) 10.097 12.358 ( -6.748 2.674 5.832) 9.311 12.427 ( -6.616 -4.510 -0.148) 8.008 12.636 ( -15.273 0.764 0.392) 15.298 12.657 ( -15.088 -1.486 -1.431) 15.228 12.967 ( 32.133 3.950 -2.837) 32.499 13.026 ( 32.719 -2.270 -8.146) 33.794 13.708 ( -0.720 1.521 0.255) 1.702 13.715 ( -0.108 0.828 -0.417) 0.933 14.161 ( -1.834 0.800 0.331) 2.028 14.172 ( -1.689 -0.215 -0.753) 1.862 14.396 ( -12.107 -0.614 0.190) 12.125 14.410 ( -12.576 -2.044 -1.199) 12.797 17.247 ( -0.491 1.940 2.375) 3.105 17.267 ( -1.217 0.752 0.466) 1.504 17.317 ( -3.700 -1.127 2.387) 4.545 17.337 ( -4.134 -2.341 0.416) 4.769======================= Grid point 157 (60/60) =======================q-point: (-0.50 0.40 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-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: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.596 ( -9.107 1.728 1.133) 9.339 1.596 ( 9.107 1.728 1.133) 9.339 1.638 ( -8.414 -2.361 0.201) 8.742 1.638 ( 8.414 -2.361 0.201) 8.742 1.854 ( -4.049 6.324 0.984) 7.573 1.854 ( 4.049 6.324 0.984) 7.573 1.923 ( -3.283 -0.364 -1.714) 3.721 1.923 ( 3.283 -0.364 -1.714) 3.721 2.597 ( -2.928 4.856 1.007) 5.759 2.597 ( 2.928 4.856 1.007) 5.759 2.681 ( -2.123 -4.171 -1.293) 4.856 2.681 ( 2.123 -4.171 -1.293) 4.856 2.881 ( -4.208 2.758 2.753) 5.735 2.881 ( 4.208 2.758 2.753) 5.735 2.943 ( -4.343 -2.818 1.895) 5.513 2.943 ( 4.343 -2.818 1.895) 5.513 3.308 ( -4.360 3.417 3.001) 6.301 3.308 ( 4.360 3.417 3.001) 6.301 3.362 ( -3.592 -1.581 -1.757) 4.300 3.362 ( 3.592 -1.581 -1.757) 4.300 3.607 ( -4.413 -0.552 -1.549) 4.710 3.607 ( 4.413 -0.552 -1.549) 4.710 3.642 ( -2.336 -3.624 -2.071) 4.783 3.642 ( 2.336 -3.624 -2.071) 4.783 3.902 ( -6.254 -0.314 0.924) 6.330 3.902 ( 6.254 -0.314 0.924) 6.330 3.941 ( -2.254 -4.112 -2.504) 5.316 3.941 ( 2.254 -4.112 -2.504) 5.316 4.409 ( -1.039 4.795 -0.004) 4.906 4.409 ( 1.039 4.795 -0.004) 4.906 4.494 ( -1.354 -3.801 0.574) 4.076 4.494 ( 1.354 -3.801 0.574) 4.076 4.733 ( -0.291 2.924 0.994) 3.102 4.733 ( 0.291 2.924 0.994) 3.102 4.774 ( -2.490 -1.074 -0.795) 2.826 4.774 ( 2.490 -1.074 -0.795) 2.826 4.858 ( -4.489 4.370 -1.308) 6.400 4.858 ( 4.489 4.370 -1.308) 6.400 4.950 ( -2.901 -4.451 -3.327) 6.269 4.950 ( 2.901 -4.451 -3.327) 6.269 5.885 ( -0.381 2.316 -0.998) 2.550 5.885 ( 0.381 2.316 -0.998) 2.550 5.931 ( -0.506 -2.408 -1.444) 2.853 5.931 ( 0.506 -2.408 -1.444) 2.853 6.721 ( -1.115 7.766 1.303) 7.953 6.721 ( 1.115 7.766 1.303) 7.953 6.855 ( -0.854 -5.974 1.443) 6.204 6.855 ( 0.854 -5.974 1.443) 6.204 7.888 ( -3.824 0.291 0.923) 3.944 7.888 ( 3.824 0.291 0.923) 3.944 7.902 ( -3.358 -1.220 0.508) 3.609 7.902 ( 3.358 -1.220 0.508) 3.609 11.232 ( -1.650 4.371 -0.037) 4.672 11.232 ( 1.650 4.371 -0.037) 4.672 11.312 ( -2.639 -3.840 0.056) 4.660 11.312 ( 2.639 -3.840 0.056) 4.660 12.333 ( -7.799 2.208 2.585) 8.508 12.333 ( 7.799 2.208 2.585) 8.508 12.383 ( -6.067 -3.064 -2.042) 7.097 12.383 ( 6.067 -3.064 -2.042) 7.097 13.529 ( -12.633 3.805 -0.048) 13.193 13.529 ( 12.633 3.805 -0.048) 13.193 13.583 ( -10.803 -1.763 -2.680) 11.269 13.583 ( 10.803 -1.763 -2.680) 11.269 14.163 ( -1.219 2.060 -0.097) 2.395 14.163 ( 1.219 2.060 -0.097) 2.395 14.217 ( -0.728 -3.407 -1.362) 3.741 14.217 ( 0.728 -3.407 -1.362) 3.741 17.255 ( -0.835 1.050 1.265) 1.844 17.255 ( 0.835 1.050 1.265) 1.844 17.278 ( -0.970 -1.340 1.266) 2.083 17.278 ( 0.970 -1.340 1.266) 2.083=================== 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 3/20160 10.0 307.382 351.681 326.216 0.000 0.000 -0.000 3/20160 20.0 88.975 75.115 46.050 0.000 0.000 -0.000 3/20160 30.0 34.996 29.312 16.309 0.000 0.000 -0.000 3/20160 40.0 19.026 15.749 8.699 0.000 0.000 -0.000 3/20160 50.0 12.630 10.222 5.725 0.000 0.000 -0.000 3/20160 60.0 9.419 7.435 4.234 0.000 0.000 -0.000 3/20160 70.0 7.553 5.812 3.359 0.000 0.000 -0.000 3/20160 80.0 6.358 4.766 2.790 0.000 0.000 -0.000 3/20160 90.0 5.536 4.042 2.392 0.000 0.000 -0.000 3/20160 100.0 4.939 3.513 2.099 0.000 0.000 -0.000 3/20160 110.0 4.486 3.110 1.875 0.000 0.000 -0.000 3/20160 120.0 4.127 2.794 1.698 0.000 0.000 -0.000 3/20160 130.0 3.835 2.539 1.555 0.000 0.000 -0.000 3/20160 140.0 3.591 2.329 1.438 0.000 0.000 -0.000 3/20160 150.0 3.382 2.153 1.339 0.000 0.000 -0.000 3/20160 160.0 3.200 2.003 1.256 0.000 0.000 -0.000 3/20160 170.0 3.040 1.875 1.184 0.000 0.000 -0.000 3/20160 180.0 2.897 1.762 1.121 0.000 0.000 -0.000 3/20160 190.0 2.768 1.664 1.065 0.000 0.000 -0.000 3/20160 200.0 2.651 1.577 1.016 0.000 0.000 -0.000 3/20160 210.0 2.544 1.498 0.972 0.000 0.000 -0.000 3/20160 220.0 2.446 1.428 0.932 0.000 0.000 -0.000 3/20160 230.0 2.356 1.365 0.896 0.000 0.000 -0.000 3/20160 240.0 2.272 1.307 0.863 0.000 0.000 -0.000 3/20160 250.0 2.193 1.254 0.833 0.000 0.000 -0.000 3/20160 260.0 2.121 1.206 0.805 0.000 0.000 -0.000 3/20160 270.0 2.052 1.161 0.779 0.000 0.000 -0.000 3/20160 280.0 1.989 1.120 0.755 0.000 0.000 -0.000 3/20160 290.0 1.929 1.081 0.732 0.000 0.000 -0.000 3/20160 300.0 1.872 1.046 0.711 0.000 0.000 -0.000 3/20160 310.0 1.819 1.012 0.691 0.000 0.000 -0.000 3/20160 320.0 1.768 0.981 0.673 0.000 0.000 -0.000 3/20160 330.0 1.720 0.952 0.655 0.000 0.000 -0.000 3/20160 340.0 1.675 0.925 0.638 0.000 0.000 -0.000 3/20160 350.0 1.632 0.899 0.623 0.000 0.000 -0.000 3/20160 360.0 1.591 0.874 0.608 0.000 0.000 -0.000 3/20160 370.0 1.552 0.851 0.593 0.000 0.000 -0.000 3/20160 380.0 1.515 0.829 0.580 0.000 0.000 -0.000 3/20160 390.0 1.480 0.808 0.567 0.000 0.000 -0.000 3/20160 400.0 1.446 0.789 0.554 0.000 0.000 -0.000 3/20160 410.0 1.414 0.770 0.542 0.000 0.000 -0.000 3/20160 420.0 1.383 0.752 0.531 0.000 0.000 -0.000 3/20160 430.0 1.353 0.735 0.520 0.000 0.000 -0.000 3/20160 440.0 1.325 0.719 0.510 0.000 0.000 -0.000 3/20160 450.0 1.297 0.703 0.500 0.000 0.000 -0.000 3/20160 460.0 1.271 0.688 0.490 0.000 0.000 -0.000 3/20160 470.0 1.246 0.674 0.481 0.000 0.000 -0.000 3/20160 480.0 1.222 0.660 0.472 0.000 0.000 -0.000 3/20160 490.0 1.199 0.647 0.464 0.000 0.000 -0.000 3/20160 500.0 1.176 0.634 0.455 0.000 0.000 -0.000 3/20160 510.0 1.154 0.622 0.447 0.000 0.000 -0.000 3/20160 520.0 1.134 0.610 0.440 0.000 0.000 -0.000 3/20160 530.0 1.113 0.599 0.432 0.000 0.000 -0.000 3/20160 540.0 1.094 0.588 0.425 0.000 0.000 -0.000 3/20160 550.0 1.075 0.578 0.418 0.000 0.000 -0.000 3/20160 560.0 1.057 0.568 0.411 0.000 0.000 -0.000 3/20160 570.0 1.040 0.558 0.405 0.000 0.000 -0.000 3/20160 580.0 1.023 0.549 0.399 0.000 0.000 -0.000 3/20160 590.0 1.006 0.540 0.392 0.000 0.000 -0.000 3/20160 600.0 0.990 0.531 0.387 0.000 0.000 -0.000 3/20160 610.0 0.975 0.522 0.381 0.000 0.000 -0.000 3/20160 620.0 0.960 0.514 0.375 0.000 0.000 -0.000 3/20160 630.0 0.945 0.506 0.370 0.000 0.000 -0.000 3/20160 640.0 0.931 0.498 0.364 0.000 0.000 -0.000 3/20160 650.0 0.917 0.491 0.359 0.000 0.000 -0.000 3/20160 660.0 0.904 0.484 0.354 0.000 0.000 -0.000 3/20160 670.0 0.891 0.477 0.350 0.000 0.000 -0.000 3/20160 680.0 0.879 0.470 0.345 0.000 0.000 -0.000 3/20160 690.0 0.866 0.463 0.340 0.000 0.000 -0.000 3/20160 700.0 0.855 0.457 0.336 0.000 0.000 -0.000 3/20160 710.0 0.843 0.450 0.331 0.000 0.000 -0.000 3/20160 720.0 0.832 0.444 0.327 0.000 0.000 -0.000 3/20160 730.0 0.821 0.438 0.323 0.000 0.000 -0.000 3/20160 740.0 0.810 0.432 0.319 0.000 0.000 -0.000 3/20160 750.0 0.800 0.427 0.315 0.000 0.000 -0.000 3/20160 760.0 0.789 0.421 0.311 0.000 0.000 -0.000 3/20160 770.0 0.780 0.416 0.307 0.000 0.000 -0.000 3/20160 780.0 0.770 0.411 0.304 0.000 0.000 -0.000 3/20160 790.0 0.761 0.405 0.300 0.000 0.000 -0.000 3/20160 800.0 0.751 0.401 0.297 0.000 0.000 -0.000 3/20160 810.0 0.742 0.396 0.293 0.000 0.000 -0.000 3/20160 820.0 0.734 0.391 0.290 0.000 0.000 -0.000 3/20160 830.0 0.725 0.386 0.287 0.000 0.000 -0.000 3/20160 840.0 0.717 0.382 0.284 0.000 0.000 -0.000 3/20160 850.0 0.708 0.377 0.280 0.000 0.000 -0.000 3/20160 860.0 0.700 0.373 0.277 0.000 0.000 -0.000 3/20160 870.0 0.693 0.369 0.274 0.000 0.000 -0.000 3/20160 880.0 0.685 0.365 0.271 0.000 0.000 -0.000 3/20160 890.0 0.678 0.361 0.269 0.000 0.000 -0.000 3/20160 900.0 0.670 0.357 0.266 0.000 0.000 -0.000 3/20160 910.0 0.663 0.353 0.263 0.000 0.000 -0.000 3/20160 920.0 0.656 0.349 0.260 0.000 0.000 -0.000 3/20160 930.0 0.649 0.345 0.258 0.000 0.000 -0.000 3/20160 940.0 0.642 0.342 0.255 0.000 0.000 -0.000 3/20160 950.0 0.636 0.338 0.253 0.000 0.000 -0.000 3/20160 960.0 0.629 0.335 0.250 0.000 0.000 -0.000 3/20160 970.0 0.623 0.331 0.248 0.000 0.000 -0.000 3/20160 980.0 0.617 0.328 0.245 0.000 0.000 -0.000 3/20160 990.0 0.611 0.325 0.243 0.000 0.000 -0.000 3/20160 1000.0 0.605 0.322 0.241 0.000 0.000 -0.000 3/20160Thermal conductivity related properties were written into "kappa-m857.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 09:39:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|