# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/8e06f69a-c31d-4e2b-a419-24943882c95a/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 TaCuS3 / Pnma (62) / materials id 3102](https://mdr.nims.go.jp/datasets/686e2095-d897-41fd-b216-1f05575aac3f) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 19:22:03]-------------------------Compiled with OpenMP support (max 48 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a 9.358819199999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.466949210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.661971740000000Atomic positions (fractional): *1 S 0.58315052479871 0.75000000000000 0.40317947496728 32.065 *2 S 0.42274906162335 0.25000000000000 0.17320901797565 32.065 3 S 0.57725093837665 0.75000000000000 0.82679098202435 32.065 4 S 0.92274906162335 0.25000000000000 0.32679098202435 32.065 *5 S 0.21696368379821 0.75000000000000 0.40042895338900 32.065 6 S 0.78303631620179 0.25000000000000 0.59957104661100 32.065 7 S 0.71696368379821 0.75000000000000 0.09957104661100 32.065 8 S 0.28303631620179 0.25000000000000 0.90042895338900 32.065 9 S 0.08315052479871 0.75000000000000 0.09682052503272 32.065 10 S 0.91684947520129 0.25000000000000 0.90317947496728 32.065 11 S 0.41684947520129 0.25000000000000 0.59682052503272 32.065 12 S 0.07725093837665 0.75000000000000 0.67320901797565 32.065 *13 Cu 0.27536778712876 0.75000000000000 0.21244108889092 63.546 14 Cu 0.22463221287124 0.25000000000000 0.71244108889092 63.546 15 Cu 0.77536778712876 0.75000000000000 0.28755891110908 63.546 16 Cu 0.72463221287124 0.25000000000000 0.78755891110908 63.546 *17 Ta 0.10743987542111 0.75000000000000 0.86874139495817 180.948 18 Ta 0.89256012457889 0.25000000000000 0.13125860504183 180.948 19 Ta 0.60743987542111 0.75000000000000 0.63125860504183 180.948 20 Ta 0.39256012457889 0.25000000000000 0.36874139495817 180.948-------------------------------- unit cell ---------------------------------Lattice vectors: a 9.358819199999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.466949210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.661971740000000Atomic positions (fractional): *1 S 0.58315052479871 0.75000000000000 0.40317947496728 32.065 > 1 *2 S 0.42274906162335 0.25000000000000 0.17320901797565 32.065 > 2 3 S 0.57725093837665 0.75000000000000 0.82679098202435 32.065 > 3 4 S 0.92274906162335 0.25000000000000 0.32679098202435 32.065 > 4 *5 S 0.21696368379821 0.75000000000000 0.40042895338900 32.065 > 5 6 S 0.78303631620179 0.25000000000000 0.59957104661100 32.065 > 6 7 S 0.71696368379821 0.75000000000000 0.09957104661100 32.065 > 7 8 S 0.28303631620179 0.25000000000000 0.90042895338900 32.065 > 8 9 S 0.08315052479871 0.75000000000000 0.09682052503272 32.065 > 9 10 S 0.91684947520129 0.25000000000000 0.90317947496728 32.065 > 10 11 S 0.41684947520129 0.25000000000000 0.59682052503272 32.065 > 11 12 S 0.07725093837665 0.75000000000000 0.67320901797565 32.065 > 12 *13 Cu 0.27536778712876 0.75000000000000 0.21244108889092 63.546 > 13 14 Cu 0.22463221287124 0.25000000000000 0.71244108889092 63.546 > 14 15 Cu 0.77536778712876 0.75000000000000 0.28755891110908 63.546 > 15 16 Cu 0.72463221287124 0.25000000000000 0.78755891110908 63.546 > 16 *17 Ta 0.10743987542111 0.75000000000000 0.86874139495817 180.948 > 17 18 Ta 0.89256012457889 0.25000000000000 0.13125860504183 180.948 > 18 19 Ta 0.60743987542111 0.75000000000000 0.63125860504183 180.948 > 19 20 Ta 0.39256012457889 0.25000000000000 0.36874139495817 180.948 > 20-------------------------------- super cell --------------------------------Lattice vectors: a 18.717638399999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.400847630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.661971740000000Atomic positions (fractional): *1 S 0.29157526239935 0.25000000000000 0.40317947496728 32.065 > 1 2 S 0.79157526239935 0.25000000000000 0.40317947496728 32.065 > 1 3 S 0.29157526239935 0.58333333333333 0.40317947496728 32.065 > 1 4 S 0.79157526239935 0.58333333333333 0.40317947496728 32.065 > 1 5 S 0.29157526239935 0.91666666666667 0.40317947496728 32.065 > 1 6 S 0.79157526239935 0.91666666666667 0.40317947496728 32.065 > 1 *7 S 0.21137453081168 0.08333333333333 0.17320901797565 32.065 > 2 8 S 0.71137453081168 0.08333333333333 0.17320901797565 32.065 > 2 9 S 0.21137453081168 0.41666666666667 0.17320901797565 32.065 > 2 10 S 0.71137453081168 0.41666666666667 0.17320901797565 32.065 > 2 11 S 0.21137453081168 0.75000000000000 0.17320901797565 32.065 > 2 12 S 0.71137453081168 0.75000000000000 0.17320901797565 32.065 > 2 13 S 0.28862546918832 0.25000000000000 0.82679098202435 32.065 > 3 14 S 0.78862546918832 0.25000000000000 0.82679098202435 32.065 > 3 15 S 0.28862546918832 0.58333333333333 0.82679098202435 32.065 > 3 16 S 0.78862546918832 0.58333333333333 0.82679098202435 32.065 > 3 17 S 0.28862546918832 0.91666666666667 0.82679098202435 32.065 > 3 18 S 0.78862546918832 0.91666666666667 0.82679098202435 32.065 > 3 19 S 0.46137453081168 0.08333333333333 0.32679098202435 32.065 > 4 20 S 0.96137453081168 0.08333333333333 0.32679098202435 32.065 > 4 21 S 0.46137453081168 0.41666666666667 0.32679098202435 32.065 > 4 22 S 0.96137453081168 0.41666666666667 0.32679098202435 32.065 > 4 23 S 0.46137453081168 0.75000000000000 0.32679098202435 32.065 > 4 24 S 0.96137453081168 0.75000000000000 0.32679098202435 32.065 > 4 *25 S 0.10848184189910 0.25000000000000 0.40042895338900 32.065 > 5 26 S 0.60848184189910 0.25000000000000 0.40042895338900 32.065 > 5 27 S 0.10848184189910 0.58333333333333 0.40042895338900 32.065 > 5 28 S 0.60848184189910 0.58333333333333 0.40042895338900 32.065 > 5 29 S 0.10848184189910 0.91666666666667 0.40042895338900 32.065 > 5 30 S 0.60848184189910 0.91666666666667 0.40042895338900 32.065 > 5 31 S 0.39151815810090 0.08333333333333 0.59957104661100 32.065 > 6 32 S 0.89151815810090 0.08333333333333 0.59957104661100 32.065 > 6 33 S 0.39151815810090 0.41666666666667 0.59957104661100 32.065 > 6 34 S 0.89151815810090 0.41666666666667 0.59957104661100 32.065 > 6 35 S 0.39151815810090 0.75000000000000 0.59957104661100 32.065 > 6 36 S 0.89151815810090 0.75000000000000 0.59957104661100 32.065 > 6 37 S 0.35848184189910 0.25000000000000 0.09957104661100 32.065 > 7 38 S 0.85848184189910 0.25000000000000 0.09957104661100 32.065 > 7 39 S 0.35848184189910 0.58333333333333 0.09957104661100 32.065 > 7 40 S 0.85848184189910 0.58333333333333 0.09957104661100 32.065 > 7 41 S 0.35848184189910 0.91666666666667 0.09957104661100 32.065 > 7 42 S 0.85848184189910 0.91666666666667 0.09957104661100 32.065 > 7 43 S 0.14151815810090 0.08333333333333 0.90042895338900 32.065 > 8 44 S 0.64151815810090 0.08333333333333 0.90042895338900 32.065 > 8 45 S 0.14151815810090 0.41666666666667 0.90042895338900 32.065 > 8 46 S 0.64151815810090 0.41666666666667 0.90042895338900 32.065 > 8 47 S 0.14151815810090 0.75000000000000 0.90042895338900 32.065 > 8 48 S 0.64151815810090 0.75000000000000 0.90042895338900 32.065 > 8 49 S 0.04157526239935 0.25000000000000 0.09682052503272 32.065 > 9 50 S 0.54157526239935 0.25000000000000 0.09682052503272 32.065 > 9 51 S 0.04157526239935 0.58333333333333 0.09682052503272 32.065 > 9 52 S 0.54157526239935 0.58333333333333 0.09682052503272 32.065 > 9 53 S 0.04157526239935 0.91666666666667 0.09682052503272 32.065 > 9 54 S 0.54157526239935 0.91666666666667 0.09682052503272 32.065 > 9 55 S 0.45842473760065 0.08333333333333 0.90317947496728 32.065 > 10 56 S 0.95842473760065 0.08333333333333 0.90317947496728 32.065 > 10 57 S 0.45842473760065 0.41666666666667 0.90317947496728 32.065 > 10 58 S 0.95842473760065 0.41666666666667 0.90317947496728 32.065 > 10 59 S 0.45842473760065 0.75000000000000 0.90317947496728 32.065 > 10 60 S 0.95842473760065 0.75000000000000 0.90317947496728 32.065 > 10 61 S 0.20842473760065 0.08333333333333 0.59682052503272 32.065 > 11 62 S 0.70842473760065 0.08333333333333 0.59682052503272 32.065 > 11 63 S 0.20842473760065 0.41666666666667 0.59682052503272 32.065 > 11 64 S 0.70842473760065 0.41666666666667 0.59682052503272 32.065 > 11 65 S 0.20842473760065 0.75000000000000 0.59682052503272 32.065 > 11 66 S 0.70842473760065 0.75000000000000 0.59682052503272 32.065 > 11 67 S 0.03862546918832 0.25000000000000 0.67320901797565 32.065 > 12 68 S 0.53862546918832 0.25000000000000 0.67320901797565 32.065 > 12 69 S 0.03862546918832 0.58333333333333 0.67320901797565 32.065 > 12 70 S 0.53862546918832 0.58333333333333 0.67320901797565 32.065 > 12 71 S 0.03862546918832 0.91666666666667 0.67320901797565 32.065 > 12 72 S 0.53862546918832 0.91666666666667 0.67320901797565 32.065 > 12 *73 Cu 0.13768389356438 0.25000000000000 0.21244108889092 63.546 > 13 74 Cu 0.63768389356438 0.25000000000000 0.21244108889092 63.546 > 13 75 Cu 0.13768389356438 0.58333333333333 0.21244108889092 63.546 > 13 76 Cu 0.63768389356438 0.58333333333333 0.21244108889092 63.546 > 13 77 Cu 0.13768389356438 0.91666666666667 0.21244108889092 63.546 > 13 78 Cu 0.63768389356438 0.91666666666667 0.21244108889092 63.546 > 13 79 Cu 0.11231610643562 0.08333333333333 0.71244108889092 63.546 > 14 80 Cu 0.61231610643562 0.08333333333333 0.71244108889092 63.546 > 14 81 Cu 0.11231610643562 0.41666666666667 0.71244108889092 63.546 > 14 82 Cu 0.61231610643562 0.41666666666667 0.71244108889092 63.546 > 14 83 Cu 0.11231610643562 0.75000000000000 0.71244108889092 63.546 > 14 84 Cu 0.61231610643562 0.75000000000000 0.71244108889092 63.546 > 14 85 Cu 0.38768389356438 0.25000000000000 0.28755891110908 63.546 > 15 86 Cu 0.88768389356438 0.25000000000000 0.28755891110908 63.546 > 15 87 Cu 0.38768389356438 0.58333333333333 0.28755891110908 63.546 > 15 88 Cu 0.88768389356438 0.58333333333333 0.28755891110908 63.546 > 15 89 Cu 0.38768389356438 0.91666666666667 0.28755891110908 63.546 > 15 90 Cu 0.88768389356438 0.91666666666667 0.28755891110908 63.546 > 15 91 Cu 0.36231610643562 0.08333333333333 0.78755891110908 63.546 > 16 92 Cu 0.86231610643562 0.08333333333333 0.78755891110908 63.546 > 16 93 Cu 0.36231610643562 0.41666666666667 0.78755891110908 63.546 > 16 94 Cu 0.86231610643562 0.41666666666667 0.78755891110908 63.546 > 16 95 Cu 0.36231610643562 0.75000000000000 0.78755891110908 63.546 > 16 96 Cu 0.86231610643562 0.75000000000000 0.78755891110908 63.546 > 16 *97 Ta 0.05371993771056 0.25000000000000 0.86874139495817 180.948 > 17 98 Ta 0.55371993771056 0.25000000000000 0.86874139495817 180.948 > 17 99 Ta 0.05371993771056 0.58333333333333 0.86874139495817 180.948 > 17 100 Ta 0.55371993771056 0.58333333333333 0.86874139495817 180.948 > 17 101 Ta 0.05371993771056 0.91666666666667 0.86874139495817 180.948 > 17 102 Ta 0.55371993771056 0.91666666666667 0.86874139495817 180.948 > 17 103 Ta 0.44628006228944 0.08333333333333 0.13125860504183 180.948 > 18 104 Ta 0.94628006228944 0.08333333333333 0.13125860504183 180.948 > 18 105 Ta 0.44628006228944 0.41666666666667 0.13125860504183 180.948 > 18 106 Ta 0.94628006228944 0.41666666666667 0.13125860504183 180.948 > 18 107 Ta 0.44628006228944 0.75000000000000 0.13125860504183 180.948 > 18 108 Ta 0.94628006228944 0.75000000000000 0.13125860504183 180.948 > 18 109 Ta 0.30371993771056 0.25000000000000 0.63125860504183 180.948 > 19 110 Ta 0.80371993771056 0.25000000000000 0.63125860504183 180.948 > 19 111 Ta 0.30371993771056 0.58333333333333 0.63125860504183 180.948 > 19 112 Ta 0.80371993771056 0.58333333333333 0.63125860504183 180.948 > 19 113 Ta 0.30371993771056 0.91666666666667 0.63125860504183 180.948 > 19 114 Ta 0.80371993771056 0.91666666666667 0.63125860504183 180.948 > 19 115 Ta 0.19628006228944 0.08333333333333 0.36874139495817 180.948 > 20 116 Ta 0.69628006228944 0.08333333333333 0.36874139495817 180.948 > 20 117 Ta 0.19628006228944 0.41666666666667 0.36874139495817 180.948 > 20 118 Ta 0.69628006228944 0.41666666666667 0.36874139495817 180.948 > 20 119 Ta 0.19628006228944 0.75000000000000 0.36874139495817 180.948 > 20 120 Ta 0.69628006228944 0.75000000000000 0.36874139495817 180.948 > 20----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 15.6162011 0.0000000 0.0000000 0.0000000 31.9355206 0.0000000 0.0000000 0.0000000 9.6214012-------------------------- Born effective charges -------------------------- 1 S -1.7508370 0.0000000 -0.4224001 0.0000000 -5.4169624 0.0000000 -0.3356002 0.0000000 -1.3248062 2 S -0.4034361 0.0000000 -0.4508248 0.0000000 -0.5843156 0.0000000 0.1734907 0.0000000 -1.7668085 3 S -0.4034361 0.0000000 -0.4508248 0.0000000 -0.5843156 0.0000000 0.1734907 0.0000000 -1.7668085 4 S -0.4034361 0.0000000 0.4508248 0.0000000 -0.5843156 0.0000000 -0.1734907 0.0000000 -1.7668085 5 S -0.7227708 0.0000000 0.1615828 0.0000000 -4.7898928 0.0000000 0.1485675 0.0000000 -0.3283899 6 S -0.7227708 0.0000000 0.1615828 0.0000000 -4.7898928 0.0000000 0.1485675 0.0000000 -0.3283899 7 S -0.7227708 0.0000000 -0.1615828 0.0000000 -4.7898928 0.0000000 -0.1485675 0.0000000 -0.3283899 8 S -0.7227708 0.0000000 -0.1615828 0.0000000 -4.7898928 0.0000000 -0.1485675 0.0000000 -0.3283899 9 S -1.7508370 0.0000000 0.4224001 0.0000000 -5.4169624 0.0000000 0.3356002 0.0000000 -1.3248062 10 S -1.7508370 0.0000000 0.4224001 0.0000000 -5.4169624 0.0000000 0.3356002 0.0000000 -1.3248062 11 S -1.7508370 0.0000000 -0.4224001 0.0000000 -5.4169624 0.0000000 -0.3356002 0.0000000 -1.3248062 12 S -0.4034361 0.0000000 0.4508248 0.0000000 -0.5843156 0.0000000 -0.1734907 0.0000000 -1.7668085 13 Cu 0.2071687 0.0000000 -0.0580298 0.0000000 -0.4310481 0.0000000 0.2527096 0.0000000 0.0598413 14 Cu 0.2071687 0.0000000 0.0580298 0.0000000 -0.4310481 0.0000000 -0.2527096 0.0000000 0.0598413 15 Cu 0.2071687 0.0000000 0.0580298 0.0000000 -0.4310481 0.0000000 -0.2527096 0.0000000 0.0598413 16 Cu 0.2071687 0.0000000 -0.0580298 0.0000000 -0.4310481 0.0000000 0.2527096 0.0000000 0.0598413 17 Ta 2.6698751 0.0000000 -1.0317551 0.0000000 11.2222189 0.0000000 -0.2122889 0.0000000 3.3601632 18 Ta 2.6698751 0.0000000 -1.0317551 0.0000000 11.2222189 0.0000000 -0.2122889 0.0000000 3.3601632 19 Ta 2.6698751 0.0000000 1.0317551 0.0000000 11.2222189 0.0000000 0.2122889 0.0000000 3.3601632 20 Ta 2.6698751 0.0000000 1.0317551 0.0000000 11.2222189 0.0000000 0.2122889 0.0000000 3.3601632----------------------------------------------------------------------------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: 360/360Permutation basis: 11220/11220Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1490Number of blocks in projector: 1490Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 200Use standard eigh solver.Tree of FC basis block matrices:- (1490, 1465), data: False|-- (200, 200), data: True|-- (200, 200), data: True|-- (230, 225), data: True|-- (230, 225), data: True|-- (230, 225), data: True|-- (400, 390), data: True-----Solver_atoms: 1 -- 120 / 120Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 320 - Time: 0.330Solver_block: 200 / 320 - Time: 0.313Solver_block: 300 / 320 - Time: 0.315Solver_block: 320 / 320 - Time: 0.113Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.098--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360Permutation basis: 11220/11220Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1490Number of blocks in projector: 1490Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 400Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 230Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 200Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 200Use standard eigh solver.Tree of FC basis block matrices:- (1490, 1465), data: False|-- (200, 200), data: True|-- (200, 200), data: True|-- (230, 225), data: True|-- (230, 225), data: True|-- (230, 225), data: True|-- (400, 390), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 19:22:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 19:22:17]-------------------------Compiled with OpenMP support (max 48 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 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.358819199999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.466949210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.661971740000000Atomic positions (fractional): 1 S 0.58315052479871 0.75000000000000 0.40317947496728 32.065 2 S 0.42274906162335 0.25000000000000 0.17320901797565 32.065 3 S 0.57725093837665 0.75000000000000 0.82679098202435 32.065 4 S 0.92274906162335 0.25000000000000 0.32679098202435 32.065 5 S 0.21696368379821 0.75000000000000 0.40042895338900 32.065 6 S 0.78303631620179 0.25000000000000 0.59957104661100 32.065 7 S 0.71696368379821 0.75000000000000 0.09957104661100 32.065 8 S 0.28303631620179 0.25000000000000 0.90042895338900 32.065 9 S 0.08315052479871 0.75000000000000 0.09682052503272 32.065 10 S 0.91684947520129 0.25000000000000 0.90317947496728 32.065 11 S 0.41684947520129 0.25000000000000 0.59682052503272 32.065 12 S 0.07725093837665 0.75000000000000 0.67320901797565 32.065 13 Cu 0.27536778712876 0.75000000000000 0.21244108889092 63.546 14 Cu 0.22463221287124 0.25000000000000 0.71244108889092 63.546 15 Cu 0.77536778712876 0.75000000000000 0.28755891110908 63.546 16 Cu 0.72463221287124 0.25000000000000 0.78755891110908 63.546 17 Ta 0.10743987542111 0.75000000000000 0.86874139495817 180.948 18 Ta 0.89256012457889 0.25000000000000 0.13125860504183 180.948 19 Ta 0.60743987542111 0.75000000000000 0.63125860504183 180.948 20 Ta 0.39256012457889 0.25000000000000 0.36874139495817 180.948-------------------------------- supercell ---------------------------------Lattice vectors: a 18.717638399999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.400847630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.661971740000000Atomic positions (fractional): 1 S 0.29157526239935 0.25000000000000 0.40317947496728 32.065 > 1 2 S 0.79157526239935 0.25000000000000 0.40317947496728 32.065 > 1 3 S 0.29157526239935 0.58333333333333 0.40317947496728 32.065 > 1 4 S 0.79157526239935 0.58333333333333 0.40317947496728 32.065 > 1 5 S 0.29157526239935 0.91666666666667 0.40317947496728 32.065 > 1 6 S 0.79157526239935 0.91666666666667 0.40317947496728 32.065 > 1 7 S 0.21137453081168 0.08333333333333 0.17320901797565 32.065 > 7 8 S 0.71137453081168 0.08333333333333 0.17320901797565 32.065 > 7 9 S 0.21137453081168 0.41666666666667 0.17320901797565 32.065 > 7 10 S 0.71137453081168 0.41666666666667 0.17320901797565 32.065 > 7 11 S 0.21137453081168 0.75000000000000 0.17320901797565 32.065 > 7 12 S 0.71137453081168 0.75000000000000 0.17320901797565 32.065 > 7 13 S 0.28862546918832 0.25000000000000 0.82679098202435 32.065 > 13 14 S 0.78862546918832 0.25000000000000 0.82679098202435 32.065 > 13 15 S 0.28862546918832 0.58333333333333 0.82679098202435 32.065 > 13 16 S 0.78862546918832 0.58333333333333 0.82679098202435 32.065 > 13 17 S 0.28862546918832 0.91666666666667 0.82679098202435 32.065 > 13 18 S 0.78862546918832 0.91666666666667 0.82679098202435 32.065 > 13 19 S 0.46137453081168 0.08333333333333 0.32679098202435 32.065 > 19 20 S 0.96137453081168 0.08333333333333 0.32679098202435 32.065 > 19 21 S 0.46137453081168 0.41666666666667 0.32679098202435 32.065 > 19 22 S 0.96137453081168 0.41666666666667 0.32679098202435 32.065 > 19 23 S 0.46137453081168 0.75000000000000 0.32679098202435 32.065 > 19 24 S 0.96137453081168 0.75000000000000 0.32679098202435 32.065 > 19 25 S 0.10848184189910 0.25000000000000 0.40042895338900 32.065 > 25 26 S 0.60848184189910 0.25000000000000 0.40042895338900 32.065 > 25 27 S 0.10848184189910 0.58333333333333 0.40042895338900 32.065 > 25 28 S 0.60848184189910 0.58333333333333 0.40042895338900 32.065 > 25 29 S 0.10848184189910 0.91666666666667 0.40042895338900 32.065 > 25 30 S 0.60848184189910 0.91666666666667 0.40042895338900 32.065 > 25 31 S 0.39151815810090 0.08333333333333 0.59957104661100 32.065 > 31 32 S 0.89151815810090 0.08333333333333 0.59957104661100 32.065 > 31 33 S 0.39151815810090 0.41666666666667 0.59957104661100 32.065 > 31 34 S 0.89151815810090 0.41666666666667 0.59957104661100 32.065 > 31 35 S 0.39151815810090 0.75000000000000 0.59957104661100 32.065 > 31 36 S 0.89151815810090 0.75000000000000 0.59957104661100 32.065 > 31 37 S 0.35848184189910 0.25000000000000 0.09957104661100 32.065 > 37 38 S 0.85848184189910 0.25000000000000 0.09957104661100 32.065 > 37 39 S 0.35848184189910 0.58333333333333 0.09957104661100 32.065 > 37 40 S 0.85848184189910 0.58333333333333 0.09957104661100 32.065 > 37 41 S 0.35848184189910 0.91666666666667 0.09957104661100 32.065 > 37 42 S 0.85848184189910 0.91666666666667 0.09957104661100 32.065 > 37 43 S 0.14151815810090 0.08333333333333 0.90042895338900 32.065 > 43 44 S 0.64151815810090 0.08333333333333 0.90042895338900 32.065 > 43 45 S 0.14151815810090 0.41666666666667 0.90042895338900 32.065 > 43 46 S 0.64151815810090 0.41666666666667 0.90042895338900 32.065 > 43 47 S 0.14151815810090 0.75000000000000 0.90042895338900 32.065 > 43 48 S 0.64151815810090 0.75000000000000 0.90042895338900 32.065 > 43 49 S 0.04157526239935 0.25000000000000 0.09682052503272 32.065 > 49 50 S 0.54157526239935 0.25000000000000 0.09682052503272 32.065 > 49 51 S 0.04157526239935 0.58333333333333 0.09682052503272 32.065 > 49 52 S 0.54157526239935 0.58333333333333 0.09682052503272 32.065 > 49 53 S 0.04157526239935 0.91666666666667 0.09682052503272 32.065 > 49 54 S 0.54157526239935 0.91666666666667 0.09682052503272 32.065 > 49 55 S 0.45842473760065 0.08333333333333 0.90317947496728 32.065 > 55 56 S 0.95842473760065 0.08333333333333 0.90317947496728 32.065 > 55 57 S 0.45842473760065 0.41666666666667 0.90317947496728 32.065 > 55 58 S 0.95842473760065 0.41666666666667 0.90317947496728 32.065 > 55 59 S 0.45842473760065 0.75000000000000 0.90317947496728 32.065 > 55 60 S 0.95842473760065 0.75000000000000 0.90317947496728 32.065 > 55 61 S 0.20842473760065 0.08333333333333 0.59682052503272 32.065 > 61 62 S 0.70842473760065 0.08333333333333 0.59682052503272 32.065 > 61 63 S 0.20842473760065 0.41666666666667 0.59682052503272 32.065 > 61 64 S 0.70842473760065 0.41666666666667 0.59682052503272 32.065 > 61 65 S 0.20842473760065 0.75000000000000 0.59682052503272 32.065 > 61 66 S 0.70842473760065 0.75000000000000 0.59682052503272 32.065 > 61 67 S 0.03862546918832 0.25000000000000 0.67320901797565 32.065 > 67 68 S 0.53862546918832 0.25000000000000 0.67320901797565 32.065 > 67 69 S 0.03862546918832 0.58333333333333 0.67320901797565 32.065 > 67 70 S 0.53862546918832 0.58333333333333 0.67320901797565 32.065 > 67 71 S 0.03862546918832 0.91666666666667 0.67320901797565 32.065 > 67 72 S 0.53862546918832 0.91666666666667 0.67320901797565 32.065 > 67 73 Cu 0.13768389356438 0.25000000000000 0.21244108889092 63.546 > 73 74 Cu 0.63768389356438 0.25000000000000 0.21244108889092 63.546 > 73 75 Cu 0.13768389356438 0.58333333333333 0.21244108889092 63.546 > 73 76 Cu 0.63768389356438 0.58333333333333 0.21244108889092 63.546 > 73 77 Cu 0.13768389356438 0.91666666666667 0.21244108889092 63.546 > 73 78 Cu 0.63768389356438 0.91666666666667 0.21244108889092 63.546 > 73 79 Cu 0.11231610643562 0.08333333333333 0.71244108889092 63.546 > 79 80 Cu 0.61231610643562 0.08333333333333 0.71244108889092 63.546 > 79 81 Cu 0.11231610643562 0.41666666666667 0.71244108889092 63.546 > 79 82 Cu 0.61231610643562 0.41666666666667 0.71244108889092 63.546 > 79 83 Cu 0.11231610643562 0.75000000000000 0.71244108889092 63.546 > 79 84 Cu 0.61231610643562 0.75000000000000 0.71244108889092 63.546 > 79 85 Cu 0.38768389356438 0.25000000000000 0.28755891110908 63.546 > 85 86 Cu 0.88768389356438 0.25000000000000 0.28755891110908 63.546 > 85 87 Cu 0.38768389356438 0.58333333333333 0.28755891110908 63.546 > 85 88 Cu 0.88768389356438 0.58333333333333 0.28755891110908 63.546 > 85 89 Cu 0.38768389356438 0.91666666666667 0.28755891110908 63.546 > 85 90 Cu 0.88768389356438 0.91666666666667 0.28755891110908 63.546 > 85 91 Cu 0.36231610643562 0.08333333333333 0.78755891110908 63.546 > 91 92 Cu 0.86231610643562 0.08333333333333 0.78755891110908 63.546 > 91 93 Cu 0.36231610643562 0.41666666666667 0.78755891110908 63.546 > 91 94 Cu 0.86231610643562 0.41666666666667 0.78755891110908 63.546 > 91 95 Cu 0.36231610643562 0.75000000000000 0.78755891110908 63.546 > 91 96 Cu 0.86231610643562 0.75000000000000 0.78755891110908 63.546 > 91 97 Ta 0.05371993771056 0.25000000000000 0.86874139495817 180.948 > 97 98 Ta 0.55371993771056 0.25000000000000 0.86874139495817 180.948 > 97 99 Ta 0.05371993771056 0.58333333333333 0.86874139495817 180.948 > 97 100 Ta 0.55371993771056 0.58333333333333 0.86874139495817 180.948 > 97 101 Ta 0.05371993771056 0.91666666666667 0.86874139495817 180.948 > 97 102 Ta 0.55371993771056 0.91666666666667 0.86874139495817 180.948 > 97 103 Ta 0.44628006228944 0.08333333333333 0.13125860504183 180.948 > 103 104 Ta 0.94628006228944 0.08333333333333 0.13125860504183 180.948 > 103 105 Ta 0.44628006228944 0.41666666666667 0.13125860504183 180.948 > 103 106 Ta 0.94628006228944 0.41666666666667 0.13125860504183 180.948 > 103 107 Ta 0.44628006228944 0.75000000000000 0.13125860504183 180.948 > 103 108 Ta 0.94628006228944 0.75000000000000 0.13125860504183 180.948 > 103 109 Ta 0.30371993771056 0.25000000000000 0.63125860504183 180.948 > 109 110 Ta 0.80371993771056 0.25000000000000 0.63125860504183 180.948 > 109 111 Ta 0.30371993771056 0.58333333333333 0.63125860504183 180.948 > 109 112 Ta 0.80371993771056 0.58333333333333 0.63125860504183 180.948 > 109 113 Ta 0.30371993771056 0.91666666666667 0.63125860504183 180.948 > 109 114 Ta 0.80371993771056 0.91666666666667 0.63125860504183 180.948 > 109 115 Ta 0.19628006228944 0.08333333333333 0.36874139495817 180.948 > 115 116 Ta 0.69628006228944 0.08333333333333 0.36874139495817 180.948 > 115 117 Ta 0.19628006228944 0.41666666666667 0.36874139495817 180.948 > 115 118 Ta 0.69628006228944 0.41666666666667 0.36874139495817 180.948 > 115 119 Ta 0.19628006228944 0.75000000000000 0.36874139495817 180.948 > 115 120 Ta 0.69628006228944 0.75000000000000 0.36874139495817 180.948 > 115----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 15.6162011 0.0000000 0.0000000 0.0000000 31.9355206 0.0000000 0.0000000 0.0000000 9.6214012-------------------------- Born effective charges -------------------------- 1 S -1.7508370 0.0000000 -0.4224001 0.0000000 -5.4169624 0.0000000 -0.3356002 0.0000000 -1.3248062 2 S -0.4034361 0.0000000 -0.4508248 0.0000000 -0.5843156 0.0000000 0.1734907 0.0000000 -1.7668085 3 S -0.4034361 0.0000000 -0.4508248 0.0000000 -0.5843156 0.0000000 0.1734907 0.0000000 -1.7668085 4 S -0.4034361 0.0000000 0.4508248 0.0000000 -0.5843156 0.0000000 -0.1734907 0.0000000 -1.7668085 5 S -0.7227708 0.0000000 0.1615828 0.0000000 -4.7898928 0.0000000 0.1485675 0.0000000 -0.3283899 6 S -0.7227708 0.0000000 0.1615828 0.0000000 -4.7898928 0.0000000 0.1485675 0.0000000 -0.3283899 7 S -0.7227708 0.0000000 -0.1615828 0.0000000 -4.7898928 0.0000000 -0.1485675 0.0000000 -0.3283899 8 S -0.7227708 0.0000000 -0.1615828 0.0000000 -4.7898928 0.0000000 -0.1485675 0.0000000 -0.3283899 9 S -1.7508370 0.0000000 0.4224001 0.0000000 -5.4169624 0.0000000 0.3356002 0.0000000 -1.3248062 10 S -1.7508370 0.0000000 0.4224001 0.0000000 -5.4169624 0.0000000 0.3356002 0.0000000 -1.3248062 11 S -1.7508370 0.0000000 -0.4224001 0.0000000 -5.4169624 0.0000000 -0.3356002 0.0000000 -1.3248062 12 S -0.4034361 0.0000000 0.4508248 0.0000000 -0.5843156 0.0000000 -0.1734907 0.0000000 -1.7668085 13 Cu 0.2071687 0.0000000 -0.0580298 0.0000000 -0.4310481 0.0000000 0.2527096 0.0000000 0.0598413 14 Cu 0.2071687 0.0000000 0.0580298 0.0000000 -0.4310481 0.0000000 -0.2527096 0.0000000 0.0598413 15 Cu 0.2071687 0.0000000 0.0580298 0.0000000 -0.4310481 0.0000000 -0.2527096 0.0000000 0.0598413 16 Cu 0.2071687 0.0000000 -0.0580298 0.0000000 -0.4310481 0.0000000 0.2527096 0.0000000 0.0598413 17 Ta 2.6698751 0.0000000 -1.0317551 0.0000000 11.2222189 0.0000000 -0.2122889 0.0000000 3.3601632 18 Ta 2.6698751 0.0000000 -1.0317551 0.0000000 11.2222189 0.0000000 -0.2122889 0.0000000 3.3601632 19 Ta 2.6698751 0.0000000 1.0317551 0.0000000 11.2222189 0.0000000 0.2122889 0.0000000 3.3601632 20 Ta 2.6698751 0.0000000 1.0317551 0.0000000 11.2222189 0.0000000 0.2122889 0.0000000 3.3601632----------------------------------------------------------------------------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[ 7, 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[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, 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[ 97, 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: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 19:22:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 19:22:33]-------------------------Compiled with OpenMP support (max 48 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 3 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.358819199999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.466949210000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.661971740000000Atomic positions (fractional): 1 S 0.58315052479871 0.75000000000000 0.40317947496728 32.065 2 S 0.42274906162335 0.25000000000000 0.17320901797565 32.065 3 S 0.57725093837665 0.75000000000000 0.82679098202435 32.065 4 S 0.92274906162335 0.25000000000000 0.32679098202435 32.065 5 S 0.21696368379821 0.75000000000000 0.40042895338900 32.065 6 S 0.78303631620179 0.25000000000000 0.59957104661100 32.065 7 S 0.71696368379821 0.75000000000000 0.09957104661100 32.065 8 S 0.28303631620179 0.25000000000000 0.90042895338900 32.065 9 S 0.08315052479871 0.75000000000000 0.09682052503272 32.065 10 S 0.91684947520129 0.25000000000000 0.90317947496728 32.065 11 S 0.41684947520129 0.25000000000000 0.59682052503272 32.065 12 S 0.07725093837665 0.75000000000000 0.67320901797565 32.065 13 Cu 0.27536778712876 0.75000000000000 0.21244108889092 63.546 14 Cu 0.22463221287124 0.25000000000000 0.71244108889092 63.546 15 Cu 0.77536778712876 0.75000000000000 0.28755891110908 63.546 16 Cu 0.72463221287124 0.25000000000000 0.78755891110908 63.546 17 Ta 0.10743987542111 0.75000000000000 0.86874139495817 180.948 18 Ta 0.89256012457889 0.25000000000000 0.13125860504183 180.948 19 Ta 0.60743987542111 0.75000000000000 0.63125860504183 180.948 20 Ta 0.39256012457889 0.25000000000000 0.36874139495817 180.948-------------------------------- supercell ---------------------------------Lattice vectors: a 18.717638399999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.400847630000001 0.000000000000000 c 0.000000000000000 0.000000000000000 11.661971740000000Atomic positions (fractional): 1 S 0.29157526239935 0.25000000000000 0.40317947496728 32.065 > 1 2 S 0.79157526239935 0.25000000000000 0.40317947496728 32.065 > 1 3 S 0.29157526239935 0.58333333333333 0.40317947496728 32.065 > 1 4 S 0.79157526239935 0.58333333333333 0.40317947496728 32.065 > 1 5 S 0.29157526239935 0.91666666666667 0.40317947496728 32.065 > 1 6 S 0.79157526239935 0.91666666666667 0.40317947496728 32.065 > 1 7 S 0.21137453081168 0.08333333333333 0.17320901797565 32.065 > 7 8 S 0.71137453081168 0.08333333333333 0.17320901797565 32.065 > 7 9 S 0.21137453081168 0.41666666666667 0.17320901797565 32.065 > 7 10 S 0.71137453081168 0.41666666666667 0.17320901797565 32.065 > 7 11 S 0.21137453081168 0.75000000000000 0.17320901797565 32.065 > 7 12 S 0.71137453081168 0.75000000000000 0.17320901797565 32.065 > 7 13 S 0.28862546918832 0.25000000000000 0.82679098202435 32.065 > 13 14 S 0.78862546918832 0.25000000000000 0.82679098202435 32.065 > 13 15 S 0.28862546918832 0.58333333333333 0.82679098202435 32.065 > 13 16 S 0.78862546918832 0.58333333333333 0.82679098202435 32.065 > 13 17 S 0.28862546918832 0.91666666666667 0.82679098202435 32.065 > 13 18 S 0.78862546918832 0.91666666666667 0.82679098202435 32.065 > 13 19 S 0.46137453081168 0.08333333333333 0.32679098202435 32.065 > 19 20 S 0.96137453081168 0.08333333333333 0.32679098202435 32.065 > 19 21 S 0.46137453081168 0.41666666666667 0.32679098202435 32.065 > 19 22 S 0.96137453081168 0.41666666666667 0.32679098202435 32.065 > 19 23 S 0.46137453081168 0.75000000000000 0.32679098202435 32.065 > 19 24 S 0.96137453081168 0.75000000000000 0.32679098202435 32.065 > 19 25 S 0.10848184189910 0.25000000000000 0.40042895338900 32.065 > 25 26 S 0.60848184189910 0.25000000000000 0.40042895338900 32.065 > 25 27 S 0.10848184189910 0.58333333333333 0.40042895338900 32.065 > 25 28 S 0.60848184189910 0.58333333333333 0.40042895338900 32.065 > 25 29 S 0.10848184189910 0.91666666666667 0.40042895338900 32.065 > 25 30 S 0.60848184189910 0.91666666666667 0.40042895338900 32.065 > 25 31 S 0.39151815810090 0.08333333333333 0.59957104661100 32.065 > 31 32 S 0.89151815810090 0.08333333333333 0.59957104661100 32.065 > 31 33 S 0.39151815810090 0.41666666666667 0.59957104661100 32.065 > 31 34 S 0.89151815810090 0.41666666666667 0.59957104661100 32.065 > 31 35 S 0.39151815810090 0.75000000000000 0.59957104661100 32.065 > 31 36 S 0.89151815810090 0.75000000000000 0.59957104661100 32.065 > 31 37 S 0.35848184189910 0.25000000000000 0.09957104661100 32.065 > 37 38 S 0.85848184189910 0.25000000000000 0.09957104661100 32.065 > 37 39 S 0.35848184189910 0.58333333333333 0.09957104661100 32.065 > 37 40 S 0.85848184189910 0.58333333333333 0.09957104661100 32.065 > 37 41 S 0.35848184189910 0.91666666666667 0.09957104661100 32.065 > 37 42 S 0.85848184189910 0.91666666666667 0.09957104661100 32.065 > 37 43 S 0.14151815810090 0.08333333333333 0.90042895338900 32.065 > 43 44 S 0.64151815810090 0.08333333333333 0.90042895338900 32.065 > 43 45 S 0.14151815810090 0.41666666666667 0.90042895338900 32.065 > 43 46 S 0.64151815810090 0.41666666666667 0.90042895338900 32.065 > 43 47 S 0.14151815810090 0.75000000000000 0.90042895338900 32.065 > 43 48 S 0.64151815810090 0.75000000000000 0.90042895338900 32.065 > 43 49 S 0.04157526239935 0.25000000000000 0.09682052503272 32.065 > 49 50 S 0.54157526239935 0.25000000000000 0.09682052503272 32.065 > 49 51 S 0.04157526239935 0.58333333333333 0.09682052503272 32.065 > 49 52 S 0.54157526239935 0.58333333333333 0.09682052503272 32.065 > 49 53 S 0.04157526239935 0.91666666666667 0.09682052503272 32.065 > 49 54 S 0.54157526239935 0.91666666666667 0.09682052503272 32.065 > 49 55 S 0.45842473760065 0.08333333333333 0.90317947496728 32.065 > 55 56 S 0.95842473760065 0.08333333333333 0.90317947496728 32.065 > 55 57 S 0.45842473760065 0.41666666666667 0.90317947496728 32.065 > 55 58 S 0.95842473760065 0.41666666666667 0.90317947496728 32.065 > 55 59 S 0.45842473760065 0.75000000000000 0.90317947496728 32.065 > 55 60 S 0.95842473760065 0.75000000000000 0.90317947496728 32.065 > 55 61 S 0.20842473760065 0.08333333333333 0.59682052503272 32.065 > 61 62 S 0.70842473760065 0.08333333333333 0.59682052503272 32.065 > 61 63 S 0.20842473760065 0.41666666666667 0.59682052503272 32.065 > 61 64 S 0.70842473760065 0.41666666666667 0.59682052503272 32.065 > 61 65 S 0.20842473760065 0.75000000000000 0.59682052503272 32.065 > 61 66 S 0.70842473760065 0.75000000000000 0.59682052503272 32.065 > 61 67 S 0.03862546918832 0.25000000000000 0.67320901797565 32.065 > 67 68 S 0.53862546918832 0.25000000000000 0.67320901797565 32.065 > 67 69 S 0.03862546918832 0.58333333333333 0.67320901797565 32.065 > 67 70 S 0.53862546918832 0.58333333333333 0.67320901797565 32.065 > 67 71 S 0.03862546918832 0.91666666666667 0.67320901797565 32.065 > 67 72 S 0.53862546918832 0.91666666666667 0.67320901797565 32.065 > 67 73 Cu 0.13768389356438 0.25000000000000 0.21244108889092 63.546 > 73 74 Cu 0.63768389356438 0.25000000000000 0.21244108889092 63.546 > 73 75 Cu 0.13768389356438 0.58333333333333 0.21244108889092 63.546 > 73 76 Cu 0.63768389356438 0.58333333333333 0.21244108889092 63.546 > 73 77 Cu 0.13768389356438 0.91666666666667 0.21244108889092 63.546 > 73 78 Cu 0.63768389356438 0.91666666666667 0.21244108889092 63.546 > 73 79 Cu 0.11231610643562 0.08333333333333 0.71244108889092 63.546 > 79 80 Cu 0.61231610643562 0.08333333333333 0.71244108889092 63.546 > 79 81 Cu 0.11231610643562 0.41666666666667 0.71244108889092 63.546 > 79 82 Cu 0.61231610643562 0.41666666666667 0.71244108889092 63.546 > 79 83 Cu 0.11231610643562 0.75000000000000 0.71244108889092 63.546 > 79 84 Cu 0.61231610643562 0.75000000000000 0.71244108889092 63.546 > 79 85 Cu 0.38768389356438 0.25000000000000 0.28755891110908 63.546 > 85 86 Cu 0.88768389356438 0.25000000000000 0.28755891110908 63.546 > 85 87 Cu 0.38768389356438 0.58333333333333 0.28755891110908 63.546 > 85 88 Cu 0.88768389356438 0.58333333333333 0.28755891110908 63.546 > 85 89 Cu 0.38768389356438 0.91666666666667 0.28755891110908 63.546 > 85 90 Cu 0.88768389356438 0.91666666666667 0.28755891110908 63.546 > 85 91 Cu 0.36231610643562 0.08333333333333 0.78755891110908 63.546 > 91 92 Cu 0.86231610643562 0.08333333333333 0.78755891110908 63.546 > 91 93 Cu 0.36231610643562 0.41666666666667 0.78755891110908 63.546 > 91 94 Cu 0.86231610643562 0.41666666666667 0.78755891110908 63.546 > 91 95 Cu 0.36231610643562 0.75000000000000 0.78755891110908 63.546 > 91 96 Cu 0.86231610643562 0.75000000000000 0.78755891110908 63.546 > 91 97 Ta 0.05371993771056 0.25000000000000 0.86874139495817 180.948 > 97 98 Ta 0.55371993771056 0.25000000000000 0.86874139495817 180.948 > 97 99 Ta 0.05371993771056 0.58333333333333 0.86874139495817 180.948 > 97 100 Ta 0.55371993771056 0.58333333333333 0.86874139495817 180.948 > 97 101 Ta 0.05371993771056 0.91666666666667 0.86874139495817 180.948 > 97 102 Ta 0.55371993771056 0.91666666666667 0.86874139495817 180.948 > 97 103 Ta 0.44628006228944 0.08333333333333 0.13125860504183 180.948 > 103 104 Ta 0.94628006228944 0.08333333333333 0.13125860504183 180.948 > 103 105 Ta 0.44628006228944 0.41666666666667 0.13125860504183 180.948 > 103 106 Ta 0.94628006228944 0.41666666666667 0.13125860504183 180.948 > 103 107 Ta 0.44628006228944 0.75000000000000 0.13125860504183 180.948 > 103 108 Ta 0.94628006228944 0.75000000000000 0.13125860504183 180.948 > 103 109 Ta 0.30371993771056 0.25000000000000 0.63125860504183 180.948 > 109 110 Ta 0.80371993771056 0.25000000000000 0.63125860504183 180.948 > 109 111 Ta 0.30371993771056 0.58333333333333 0.63125860504183 180.948 > 109 112 Ta 0.80371993771056 0.58333333333333 0.63125860504183 180.948 > 109 113 Ta 0.30371993771056 0.91666666666667 0.63125860504183 180.948 > 109 114 Ta 0.80371993771056 0.91666666666667 0.63125860504183 180.948 > 109 115 Ta 0.19628006228944 0.08333333333333 0.36874139495817 180.948 > 115 116 Ta 0.69628006228944 0.08333333333333 0.36874139495817 180.948 > 115 117 Ta 0.19628006228944 0.41666666666667 0.36874139495817 180.948 > 115 118 Ta 0.69628006228944 0.41666666666667 0.36874139495817 180.948 > 115 119 Ta 0.19628006228944 0.75000000000000 0.36874139495817 180.948 > 115 120 Ta 0.69628006228944 0.75000000000000 0.36874139495817 180.948 > 115----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 15.6162011 0.0000000 0.0000000 0.0000000 31.9355206 0.0000000 0.0000000 0.0000000 9.6214012-------------------------- Born effective charges -------------------------- 1 S -1.7508370 0.0000000 -0.4224001 0.0000000 -5.4169624 0.0000000 -0.3356002 0.0000000 -1.3248062 2 S -0.4034361 0.0000000 -0.4508248 0.0000000 -0.5843156 0.0000000 0.1734907 0.0000000 -1.7668085 3 S -0.4034361 0.0000000 -0.4508248 0.0000000 -0.5843156 0.0000000 0.1734907 0.0000000 -1.7668085 4 S -0.4034361 0.0000000 0.4508248 0.0000000 -0.5843156 0.0000000 -0.1734907 0.0000000 -1.7668085 5 S -0.7227708 0.0000000 0.1615828 0.0000000 -4.7898928 0.0000000 0.1485675 0.0000000 -0.3283899 6 S -0.7227708 0.0000000 0.1615828 0.0000000 -4.7898928 0.0000000 0.1485675 0.0000000 -0.3283899 7 S -0.7227708 0.0000000 -0.1615828 0.0000000 -4.7898928 0.0000000 -0.1485675 0.0000000 -0.3283899 8 S -0.7227708 0.0000000 -0.1615828 0.0000000 -4.7898928 0.0000000 -0.1485675 0.0000000 -0.3283899 9 S -1.7508370 0.0000000 0.4224001 0.0000000 -5.4169624 0.0000000 0.3356002 0.0000000 -1.3248062 10 S -1.7508370 0.0000000 0.4224001 0.0000000 -5.4169624 0.0000000 0.3356002 0.0000000 -1.3248062 11 S -1.7508370 0.0000000 -0.4224001 0.0000000 -5.4169624 0.0000000 -0.3356002 0.0000000 -1.3248062 12 S -0.4034361 0.0000000 0.4508248 0.0000000 -0.5843156 0.0000000 -0.1734907 0.0000000 -1.7668085 13 Cu 0.2071687 0.0000000 -0.0580298 0.0000000 -0.4310481 0.0000000 0.2527096 0.0000000 0.0598413 14 Cu 0.2071687 0.0000000 0.0580298 0.0000000 -0.4310481 0.0000000 -0.2527096 0.0000000 0.0598413 15 Cu 0.2071687 0.0000000 0.0580298 0.0000000 -0.4310481 0.0000000 -0.2527096 0.0000000 0.0598413 16 Cu 0.2071687 0.0000000 -0.0580298 0.0000000 -0.4310481 0.0000000 0.2527096 0.0000000 0.0598413 17 Ta 2.6698751 0.0000000 -1.0317551 0.0000000 11.2222189 0.0000000 -0.2122889 0.0000000 3.3601632 18 Ta 2.6698751 0.0000000 -1.0317551 0.0000000 11.2222189 0.0000000 -0.2122889 0.0000000 3.3601632 19 Ta 2.6698751 0.0000000 1.0317551 0.0000000 11.2222189 0.0000000 0.2122889 0.0000000 3.3601632 20 Ta 2.6698751 0.0000000 1.0317551 0.0000000 11.2222189 0.0000000 0.2122889 0.0000000 3.3601632----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 5 14 4 ]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: 0.57, Number of G-points: 281, Lambda: 0.26Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/72) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.919 ( 0.000 0.000 0.000) 0.000 1.263 ( 0.000 0.000 0.000) 0.000 1.312 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.846 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 4.416 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.225 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.691 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 7.181 ( 0.000 0.000 0.000) 0.000 7.296 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.482 ( 0.000 0.000 0.000) 0.000 7.720 ( 0.000 0.000 0.000) 0.000 7.840 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 7.979 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.332 ( 0.000 0.000 0.000) 0.000 8.530 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.536 ( 0.000 0.000 0.000) 0.000 8.546 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 0.000) 0.000 8.586 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 0.000) 0.000 10.420 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 10.775 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 11.225 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.439 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 12.344 ( 0.000 0.000 0.000) 0.000 12.383 ( 0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 12.535 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/72) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.411 ( 18.566 0.000 0.000) 18.566 0.523 ( 24.132 0.000 0.000) 24.132 0.757 ( 33.928 0.000 0.000) 33.928 1.105 ( 14.614 0.000 0.000) 14.614 1.249 ( -5.830 0.000 0.000) 5.830 1.308 ( 4.049 0.000 0.000) 4.049 1.651 ( -3.507 0.000 0.000) 3.507 1.823 ( -2.348 0.000 0.000) 2.348 1.962 ( -13.369 0.000 0.000) 13.369 2.210 ( -5.567 0.000 0.000) 5.567 2.522 ( 3.514 0.000 0.000) 3.514 2.529 ( 2.397 0.000 0.000) 2.397 2.969 ( -3.811 0.000 0.000) 3.811 3.126 ( -5.447 0.000 0.000) 5.447 3.147 ( 1.681 0.000 0.000) 1.681 3.177 ( 2.271 0.000 0.000) 2.271 3.255 ( -0.667 0.000 0.000) 0.667 3.315 ( -0.951 0.000 0.000) 0.951 3.377 ( 6.220 0.000 0.000) 6.220 3.769 ( -4.986 0.000 0.000) 4.986 4.455 ( 3.346 0.000 0.000) 3.346 4.611 ( 0.020 0.000 0.000) 0.020 5.086 ( -0.197 0.000 0.000) 0.197 5.201 ( -2.151 0.000 0.000) 2.151 5.504 ( 3.496 0.000 0.000) 3.496 5.699 ( 5.029 0.000 0.000) 5.029 5.742 ( 4.090 0.000 0.000) 4.090 5.800 ( -2.954 0.000 0.000) 2.954 7.100 ( 0.660 0.000 0.000) 0.660 7.166 ( -0.815 0.000 0.000) 0.815 7.179 ( -0.051 0.000 0.000) 0.051 7.278 ( -1.845 0.000 0.000) 1.845 7.497 ( 1.494 0.000 0.000) 1.494 7.564 ( 1.763 0.000 0.000) 1.763 7.690 ( -2.653 0.000 0.000) 2.653 7.800 ( -3.532 0.000 0.000) 3.532 7.947 ( 0.624 0.000 0.000) 0.624 7.977 ( -0.145 0.000 0.000) 0.145 8.032 ( 0.517 0.000 0.000) 0.517 8.045 ( 0.446 0.000 0.000) 0.446 8.356 ( 2.157 0.000 0.000) 2.157 8.531 ( 0.159 0.000 0.000) 0.159 8.531 ( 0.082 0.000 0.000) 0.082 8.539 ( 0.245 0.000 0.000) 0.245 8.545 ( -0.122 0.000 0.000) 0.122 8.561 ( -0.231 0.000 0.000) 0.231 8.571 ( -1.490 0.000 0.000) 1.490 8.596 ( -2.661 0.000 0.000) 2.661 10.600 ( -0.225 0.000 0.000) 0.225 10.642 ( -0.911 0.000 0.000) 0.911 10.773 ( -0.260 0.000 0.000) 0.260 10.779 ( -0.914 0.000 0.000) 0.914 11.230 ( 0.400 0.000 0.000) 0.400 11.233 ( 0.077 0.000 0.000) 0.077 11.459 ( 1.577 0.000 0.000) 1.577 11.464 ( 1.292 0.000 0.000) 1.292 12.342 ( -0.147 0.000 0.000) 0.147 12.375 ( -0.702 0.000 0.000) 0.702 12.505 ( -0.976 0.000 0.000) 0.976 12.526 ( -0.918 0.000 0.000) 0.918======================= Grid point 2 (3/72) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.779 ( 15.592 0.000 0.000) 15.592 1.016 ( 21.266 0.000 0.000) 21.266 1.067 ( -11.121 0.000 0.000) 11.121 1.295 ( 4.496 0.000 0.000) 4.496 1.420 ( 6.008 0.000 0.000) 6.008 1.481 ( 24.270 0.000 0.000) 24.270 1.549 ( -5.711 0.000 0.000) 5.711 1.685 ( -6.362 0.000 0.000) 6.362 1.738 ( -5.699 0.000 0.000) 5.699 1.971 ( -17.346 0.000 0.000) 17.346 2.583 ( 2.563 0.000 0.000) 2.563 2.602 ( 2.109 0.000 0.000) 2.109 2.909 ( 0.143 0.000 0.000) 0.143 2.996 ( -6.355 0.000 0.000) 6.355 3.191 ( 2.175 0.000 0.000) 2.175 3.232 ( -1.527 0.000 0.000) 1.527 3.233 ( 2.667 0.000 0.000) 2.667 3.284 ( -1.958 0.000 0.000) 1.958 3.510 ( 6.119 0.000 0.000) 6.119 3.642 ( -6.292 0.000 0.000) 6.292 4.537 ( 3.776 0.000 0.000) 3.776 4.597 ( -1.659 0.000 0.000) 1.659 5.096 ( 1.381 0.000 0.000) 1.381 5.144 ( -2.828 0.000 0.000) 2.828 5.601 ( 5.228 0.000 0.000) 5.228 5.713 ( -4.921 0.000 0.000) 4.921 5.804 ( 3.559 0.000 0.000) 3.559 5.820 ( 2.088 0.000 0.000) 2.088 7.120 ( 1.127 0.000 0.000) 1.127 7.144 ( -1.134 0.000 0.000) 1.134 7.188 ( 1.135 0.000 0.000) 1.135 7.229 ( -2.449 0.000 0.000) 2.449 7.547 ( 3.059 0.000 0.000) 3.059 7.619 ( 3.419 0.000 0.000) 3.419 7.620 ( -3.591 0.000 0.000) 3.591 7.707 ( -4.629 0.000 0.000) 4.629 7.963 ( 0.681 0.000 0.000) 0.681 7.973 ( -0.270 0.000 0.000) 0.270 8.044 ( 0.483 0.000 0.000) 0.483 8.050 ( -0.054 0.000 0.000) 0.054 8.419 ( 3.607 0.000 0.000) 3.607 8.504 ( -4.119 0.000 0.000) 4.119 8.535 ( 0.238 0.000 0.000) 0.238 8.539 ( 0.571 0.000 0.000) 0.571 8.541 ( -0.266 0.000 0.000) 0.266 8.546 ( 0.373 0.000 0.000) 0.373 8.554 ( -0.387 0.000 0.000) 0.387 8.557 ( -1.143 0.000 0.000) 1.143 10.602 ( 0.453 0.000 0.000) 0.453 10.619 ( -1.097 0.000 0.000) 1.097 10.763 ( -0.365 0.000 0.000) 0.365 10.765 ( -0.392 0.000 0.000) 0.392 11.237 ( 0.215 0.000 0.000) 0.215 11.237 ( 0.209 0.000 0.000) 0.209 11.488 ( 0.822 0.000 0.000) 0.822 11.489 ( 0.752 0.000 0.000) 0.752 12.342 ( 0.283 0.000 0.000) 0.283 12.356 ( -0.935 0.000 0.000) 0.935 12.492 ( -0.007 0.000 0.000) 0.007 12.504 ( -0.974 0.000 0.000) 0.974======================= Grid point 5 (4/72) =======================q-point: ( 0.00 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.365 ( 0.000 19.953 0.000) 19.953 0.493 ( 0.000 24.378 0.000) 24.378 0.968 ( 0.000 11.375 0.000) 11.375 1.019 ( 0.000 42.055 0.000) 42.055 1.441 ( 0.000 14.040 0.000) 14.040 1.470 ( 0.000 10.714 0.000) 10.714 1.860 ( 0.000 13.794 0.000) 13.794 1.903 ( 0.000 8.071 0.000) 8.071 2.232 ( 0.000 11.481 0.000) 11.481 2.321 ( 0.000 6.831 0.000) 6.831 2.443 ( 0.000 -3.469 0.000) 3.469 2.493 ( 0.000 1.187 0.000) 1.187 3.004 ( 0.000 -1.050 0.000) 1.050 3.192 ( 0.000 -2.189 0.000) 2.189 3.220 ( 0.000 -2.317 0.000) 2.317 3.236 ( 0.000 4.191 0.000) 4.191 3.286 ( 0.000 13.676 0.000) 13.676 3.465 ( 0.000 11.202 0.000) 11.202 3.541 ( 0.000 12.720 0.000) 12.720 3.894 ( 0.000 7.762 0.000) 7.762 5.060 ( 0.000 -1.781 0.000) 1.781 5.152 ( 0.000 33.530 0.000) 33.530 5.238 ( 0.000 24.906 0.000) 24.906 5.374 ( 0.000 -3.579 0.000) 3.579 5.806 ( 0.000 -2.484 0.000) 2.484 6.034 ( 0.000 30.788 0.000) 30.788 6.111 ( 0.000 33.328 0.000) 33.328 7.032 ( 0.000 11.360 0.000) 11.360 7.095 ( 0.000 0.396 0.000) 0.396 7.162 ( 0.000 -1.167 0.000) 1.167 7.172 ( 0.000 -0.622 0.000) 0.622 7.284 ( 0.000 -1.193 0.000) 1.193 7.476 ( 0.000 -0.498 0.000) 0.498 7.483 ( 0.000 0.514 0.000) 0.514 7.692 ( 0.000 -2.618 0.000) 2.618 7.826 ( 0.000 -1.261 0.000) 1.261 7.960 ( 0.000 1.503 0.000) 1.503 7.990 ( 0.000 0.547 0.000) 0.547 8.114 ( 0.000 5.730 0.000) 5.730 8.404 ( 0.000 7.099 0.000) 7.099 8.409 ( 0.000 3.273 0.000) 3.273 8.488 ( 0.000 0.112 0.000) 0.112 8.558 ( 0.000 0.313 0.000) 0.313 8.588 ( 0.000 3.203 0.000) 3.203 8.599 ( 0.000 6.385 0.000) 6.385 8.625 ( 0.000 5.476 0.000) 5.476 8.701 ( 0.000 7.278 0.000) 7.278 8.708 ( 0.000 5.744 0.000) 5.744 10.416 ( 0.000 -0.291 0.000) 0.291 10.643 ( 0.000 -0.953 0.000) 0.953 10.756 ( 0.000 -1.809 0.000) 1.809 10.777 ( 0.000 -1.288 0.000) 1.288 11.199 ( 0.000 -2.381 0.000) 2.381 11.206 ( 0.000 -2.360 0.000) 2.360 11.413 ( 0.000 -2.384 0.000) 2.384 11.431 ( 0.000 -1.558 0.000) 1.558 12.327 ( 0.000 -1.609 0.000) 1.609 12.357 ( 0.000 -2.439 0.000) 2.439 12.469 ( 0.000 -4.219 0.000) 4.219 12.508 ( 0.000 -2.530 0.000) 2.530======================= Grid point 6 (5/72) =======================q-point: ( 0.20 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( 17.501 9.429 0.000) 19.879 0.714 ( 15.010 17.349 0.000) 22.941 1.093 ( 8.984 1.687 0.000) 9.141 1.201 ( 16.550 37.152 0.000) 40.671 1.425 ( -4.209 12.476 0.000) 13.167 1.497 ( 5.045 13.370 0.000) 14.290 1.823 ( -3.043 11.263 0.000) 11.667 1.884 ( -2.015 10.036 0.000) 10.236 2.078 ( -11.176 11.778 0.000) 16.237 2.275 ( -5.057 7.543 0.000) 9.081 2.508 ( 3.881 -0.110 0.000) 3.882 2.530 ( 3.385 1.183 0.000) 3.586 2.961 ( -3.501 -0.595 0.000) 3.551 3.092 ( -5.526 -2.195 0.000) 5.946 3.241 ( 0.500 3.448 0.000) 3.484 3.290 ( 2.026 -3.192 0.000) 3.781 3.311 ( 2.190 13.260 0.000) 13.440 3.454 ( -0.960 11.592 0.000) 11.631 3.557 ( 2.066 14.232 0.000) 14.382 3.849 ( -3.892 8.839 0.000) 9.658 5.061 ( 0.277 -1.554 0.000) 1.579 5.155 ( -0.013 16.782 0.000) 16.782 5.231 ( 0.392 37.800 0.000) 37.803 5.433 ( 4.824 0.195 0.000) 4.828 5.760 ( -4.060 -2.093 0.000) 4.568 6.081 ( 3.869 30.088 0.000) 30.335 6.144 ( 2.558 31.570 0.000) 31.674 6.385 ( -42.907 58.400 0.000) 72.468 7.099 ( 0.413 0.103 0.000) 0.425 7.153 ( -0.689 -1.215 0.000) 1.396 7.172 ( 0.064 -0.482 0.000) 0.486 7.268 ( -1.722 -0.888 0.000) 1.938 7.489 ( 1.279 -0.728 0.000) 1.472 7.538 ( 2.936 -0.716 0.000) 3.022 7.663 ( -2.528 -2.474 0.000) 3.537 7.786 ( -3.451 -1.077 0.000) 3.615 7.989 ( 2.022 1.757 0.000) 2.679 8.002 ( 0.942 1.334 0.000) 1.633 8.113 ( -0.043 5.278 0.000) 5.278 8.233 ( -8.533 11.538 0.000) 14.350 8.426 ( 1.893 6.844 0.000) 7.101 8.493 ( 0.449 0.276 0.000) 0.527 8.544 ( -0.964 1.290 0.000) 1.610 8.576 ( -1.060 2.988 0.000) 3.170 8.603 ( 0.387 6.650 0.000) 6.662 8.626 ( 0.149 5.508 0.000) 5.510 8.643 ( -1.024 5.469 0.000) 5.564 8.701 ( -2.096 8.678 0.000) 8.927 10.512 ( 4.603 -4.276 0.000) 6.283 10.632 ( -0.960 -0.993 0.000) 1.382 10.749 ( -0.409 -1.850 0.000) 1.895 10.765 ( -0.953 -1.299 0.000) 1.611 11.204 ( 0.357 -2.432 0.000) 2.459 11.207 ( 0.097 -2.360 0.000) 2.362 11.433 ( 1.548 -2.417 0.000) 2.870 11.443 ( 1.027 -1.821 0.000) 2.091 12.323 ( -0.255 -1.706 0.000) 1.725 12.349 ( -0.706 -2.443 0.000) 2.543 12.462 ( -0.467 -3.726 0.000) 3.755 12.498 ( -0.858 -2.531 0.000) 2.672======================= Grid point 7 (6/72) =======================q-point: ( 0.40 0.07 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.974 ( 14.527 0.478 0.000) 14.534 1.008 ( 11.210 13.081 0.000) 17.227 1.221 ( 0.764 1.241 0.000) 1.457 1.292 ( -7.752 15.853 0.000) 17.647 1.612 ( 14.753 7.156 0.000) 16.397 1.654 ( 11.971 18.922 0.000) 22.391 1.750 ( -3.442 5.557 0.000) 6.537 1.811 ( -4.532 15.675 0.000) 16.317 1.865 ( -4.934 19.495 0.000) 20.110 2.072 ( -14.044 12.345 0.000) 18.698 2.584 ( 3.035 1.350 0.000) 3.322 2.605 ( 2.032 0.906 0.000) 2.225 2.901 ( -0.427 -0.282 0.000) 0.511 2.969 ( -5.552 -1.691 0.000) 5.804 3.259 ( 1.247 1.409 0.000) 1.882 3.290 ( -1.305 -0.940 0.000) 1.608 3.368 ( 2.824 12.897 0.000) 13.202 3.422 ( -2.082 12.424 0.000) 12.597 3.636 ( 4.858 12.829 0.000) 13.718 3.747 ( -5.254 10.865 0.000) 12.069 5.080 ( 1.587 -1.340 0.000) 2.077 5.125 ( -2.356 -1.130 0.000) 2.613 5.320 ( 8.498 55.185 0.000) 55.835 5.555 ( 6.311 3.457 0.000) 7.196 5.600 ( -14.842 31.906 0.000) 35.189 5.721 ( -13.558 34.990 0.000) 37.525 6.165 ( 3.098 28.954 0.000) 29.120 6.189 ( 0.864 29.388 0.000) 29.400 7.114 ( 0.892 -0.451 0.000) 1.000 7.134 ( -0.972 -0.869 0.000) 1.304 7.182 ( 1.133 -0.373 0.000) 1.192 7.221 ( -2.322 -0.601 0.000) 2.399 7.532 ( 2.655 -1.386 0.000) 2.995 7.597 ( -3.319 -2.056 0.000) 3.904 7.606 ( 3.676 -0.464 0.000) 3.706 7.696 ( -4.555 -0.665 0.000) 4.603 8.022 ( 0.724 2.777 0.000) 2.869 8.023 ( 0.835 2.878 0.000) 2.997 8.113 ( 0.139 5.059 0.000) 5.061 8.131 ( -2.040 7.342 0.000) 7.621 8.476 ( 2.526 5.285 0.000) 5.858 8.508 ( 1.097 1.057 0.000) 1.523 8.518 ( -1.456 1.689 0.000) 2.229 8.544 ( -1.941 3.027 0.000) 3.596 8.618 ( 1.008 7.515 0.000) 7.583 8.630 ( 0.166 5.480 0.000) 5.482 8.633 ( -0.183 5.213 0.000) 5.216 8.651 ( -2.147 8.892 0.000) 9.147 10.573 ( 1.784 -2.322 0.000) 2.928 10.606 ( -1.392 -1.254 0.000) 1.873 10.743 ( -0.125 -1.823 0.000) 1.827 10.747 ( -0.549 -1.473 0.000) 1.572 11.211 ( 0.169 -2.429 0.000) 2.435 11.211 ( 0.200 -2.486 0.000) 2.494 11.462 ( 0.837 -2.415 0.000) 2.556 11.464 ( 0.640 -2.239 0.000) 2.329 12.321 ( 0.117 -1.975 0.000) 1.979 12.331 ( -0.811 -2.300 0.000) 2.439 12.460 ( 0.367 -2.933 0.000) 2.956 12.476 ( -1.063 -2.569 0.000) 2.780======================= Grid point 10 (7/72) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( 0.000 24.844 0.000) 24.844 0.996 ( 0.000 23.989 0.000) 23.989 1.157 ( 0.000 11.999 0.000) 11.999 1.624 ( 0.000 5.897 0.000) 5.897 1.745 ( 0.000 15.348 0.000) 15.348 1.942 ( 0.000 41.605 0.000) 41.605 2.134 ( 0.000 11.259 0.000) 11.259 2.219 ( 0.000 18.961 0.000) 18.961 2.404 ( 0.000 0.608 0.000) 0.608 2.555 ( 0.000 15.019 0.000) 15.019 2.557 ( 0.000 5.787 0.000) 5.787 2.599 ( 0.000 21.633 0.000) 21.633 2.979 ( 0.000 -1.150 0.000) 1.150 3.133 ( 0.000 -3.222 0.000) 3.222 3.196 ( 0.000 0.732 0.000) 0.732 3.242 ( 0.000 -3.391 0.000) 3.391 3.619 ( 0.000 17.329 0.000) 17.329 3.738 ( 0.000 14.275 0.000) 14.275 3.848 ( 0.000 15.762 0.000) 15.762 4.145 ( 0.000 15.261 0.000) 15.261 5.018 ( 0.000 -2.450 0.000) 2.450 5.142 ( 0.000 -3.298 0.000) 3.298 5.322 ( 0.000 -1.802 0.000) 1.802 5.732 ( 0.000 -4.644 0.000) 4.644 6.367 ( 0.000 45.771 0.000) 45.771 6.724 ( 0.000 30.142 0.000) 30.142 6.774 ( 0.000 26.226 0.000) 26.226 7.122 ( 0.000 -2.124 0.000) 2.124 7.131 ( 0.000 4.487 0.000) 4.487 7.188 ( 0.000 4.635 0.000) 4.635 7.247 ( 0.000 -2.357 0.000) 2.357 7.317 ( 0.000 13.701 0.000) 13.701 7.467 ( 0.000 -0.032 0.000) 0.032 7.533 ( 0.000 5.611 0.000) 5.611 7.619 ( 0.000 -4.276 0.000) 4.276 7.797 ( 0.000 -1.191 0.000) 1.191 7.985 ( 0.000 0.824 0.000) 0.824 7.993 ( 0.000 -0.123 0.000) 0.123 8.185 ( 0.000 0.815 0.000) 0.815 8.444 ( 0.000 0.699 0.000) 0.699 8.600 ( 0.000 10.886 0.000) 10.886 8.610 ( 0.000 12.265 0.000) 12.265 8.662 ( 0.000 9.035 0.000) 9.035 8.700 ( 0.000 7.319 0.000) 7.319 8.762 ( 0.000 7.827 0.000) 7.827 8.785 ( 0.000 11.687 0.000) 11.687 8.852 ( 0.000 8.283 0.000) 8.283 8.907 ( 0.000 12.766 0.000) 12.766 10.410 ( 0.000 -0.295 0.000) 0.295 10.617 ( 0.000 -1.482 0.000) 1.482 10.705 ( 0.000 -3.049 0.000) 3.049 10.741 ( 0.000 -2.091 0.000) 2.091 11.133 ( 0.000 -3.832 0.000) 3.832 11.144 ( 0.000 -3.440 0.000) 3.440 11.347 ( 0.000 -3.905 0.000) 3.905 11.387 ( 0.000 -2.614 0.000) 2.614 12.283 ( 0.000 -2.476 0.000) 2.476 12.289 ( 0.000 -3.938 0.000) 3.938 12.372 ( 0.000 -4.750 0.000) 4.750 12.439 ( 0.000 -4.015 0.000) 4.015======================= Grid point 11 (8/72) =======================q-point: ( 0.20 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.921 ( 7.747 20.226 0.000) 21.659 1.094 ( 7.314 18.725 0.000) 20.103 1.218 ( 5.875 10.971 0.000) 12.445 1.623 ( -0.238 7.720 0.000) 7.724 1.740 ( -0.256 14.298 0.000) 14.301 2.016 ( -8.600 9.091 0.000) 12.514 2.038 ( 8.065 37.663 0.000) 38.517 2.247 ( 0.664 19.783 0.000) 19.794 2.335 ( -4.849 8.537 0.000) 9.818 2.529 ( -2.158 14.452 0.000) 14.612 2.598 ( 2.945 6.951 0.000) 7.549 2.642 ( 2.859 15.478 0.000) 15.740 2.950 ( -2.308 -0.267 0.000) 2.323 3.053 ( -5.082 -1.371 0.000) 5.264 3.238 ( 1.703 -1.047 0.000) 1.999 3.246 ( 0.231 -2.292 0.000) 2.303 3.639 ( 1.730 17.051 0.000) 17.138 3.736 ( -0.190 14.665 0.000) 14.666 3.875 ( 2.445 15.872 0.000) 16.059 4.116 ( -2.661 15.541 0.000) 15.767 5.022 ( 0.486 -2.329 0.000) 2.379 5.124 ( -1.551 -3.091 0.000) 3.458 5.362 ( 3.553 -2.057 0.000) 4.105 5.692 ( -3.590 -4.328 0.000) 5.623 6.405 ( 3.759 46.090 0.000) 46.243 6.751 ( 2.256 28.986 0.000) 29.074 6.789 ( 1.127 25.935 0.000) 25.960 7.112 ( -8.410 11.336 0.000) 14.115 7.124 ( -4.216 4.165 0.000) 5.927 7.124 ( -0.459 3.730 0.000) 3.758 7.191 ( 0.207 4.693 0.000) 4.697 7.271 ( -2.125 5.656 0.000) 6.042 7.470 ( 0.600 -0.818 0.000) 1.014 7.570 ( 2.560 4.735 0.000) 5.383 7.595 ( -2.060 -3.912 0.000) 4.421 7.768 ( -2.540 -0.238 0.000) 2.551 8.011 ( 1.959 0.308 0.000) 1.983 8.011 ( 1.547 -0.213 0.000) 1.562 8.186 ( 0.179 1.383 0.000) 1.395 8.375 ( -5.594 3.343 0.000) 6.517 8.589 ( -0.290 10.320 0.000) 10.324 8.630 ( 1.154 11.375 0.000) 11.433 8.651 ( -1.124 9.432 0.000) 9.499 8.692 ( -0.856 7.776 0.000) 7.823 8.764 ( 0.108 7.799 0.000) 7.800 8.787 ( -2.617 8.553 0.000) 8.945 8.799 ( 1.257 12.293 0.000) 12.357 8.918 ( -0.584 12.489 0.000) 12.502 10.455 ( 3.406 -1.655 0.000) 3.787 10.605 ( -1.086 -1.550 0.000) 1.893 10.700 ( -0.286 -2.822 0.000) 2.836 10.729 ( -0.969 -2.040 0.000) 2.258 11.136 ( 0.271 -3.892 0.000) 3.902 11.144 ( 0.020 -3.522 0.000) 3.522 11.366 ( 1.522 -3.932 0.000) 4.216 11.394 ( 0.578 -2.845 0.000) 2.903 12.278 ( -0.456 -2.573 0.000) 2.614 12.282 ( -0.563 -3.790 0.000) 3.831 12.373 ( 0.190 -4.512 0.000) 4.516 12.429 ( -0.844 -4.006 0.000) 4.094======================= Grid point 12 (9/72) =======================q-point: ( 0.40 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.103 ( 7.639 12.022 0.000) 14.244 1.189 ( 0.282 9.143 0.000) 9.147 1.419 ( 11.369 13.934 0.000) 17.983 1.595 ( -3.544 13.616 0.000) 14.070 1.736 ( 0.279 8.778 0.000) 8.783 1.817 ( -8.356 4.541 0.000) 9.510 2.230 ( 5.022 29.453 0.000) 29.878 2.241 ( -0.705 20.526 0.000) 20.538 2.266 ( 3.076 16.729 0.000) 17.009 2.437 ( -6.772 19.780 0.000) 20.907 2.669 ( 2.972 6.166 0.000) 6.845 2.690 ( 1.113 9.943 0.000) 10.005 2.910 ( -0.598 1.451 0.000) 1.569 2.949 ( -4.048 0.187 0.000) 4.052 3.250 ( 0.212 -1.032 0.000) 1.054 3.254 ( 0.029 -1.100 0.000) 1.100 3.684 ( 2.205 16.360 0.000) 16.508 3.723 ( -1.231 15.478 0.000) 15.526 3.947 ( 4.092 15.936 0.000) 16.453 4.039 ( -4.251 15.879 0.000) 16.438 5.043 ( 1.480 -2.260 0.000) 2.701 5.083 ( -2.130 -2.601 0.000) 3.362 5.464 ( 5.713 -2.737 0.000) 6.335 5.590 ( -5.677 -3.600 0.000) 6.722 6.539 ( 9.052 44.873 0.000) 45.777 6.776 ( -8.651 31.818 0.000) 32.973 6.801 ( 1.932 27.130 0.000) 27.198 6.838 ( -5.562 31.197 0.000) 31.689 7.117 ( -0.083 -0.266 0.000) 0.279 7.118 ( -0.152 1.962 0.000) 1.968 7.199 ( 0.747 4.111 0.000) 4.178 7.228 ( -1.857 3.441 0.000) 3.910 7.495 ( 1.735 -1.902 0.000) 2.574 7.542 ( -2.545 -3.011 0.000) 3.943 7.630 ( 3.085 3.761 0.000) 4.864 7.701 ( -3.408 1.890 0.000) 3.897 8.045 ( 1.163 -0.373 0.000) 1.222 8.047 ( 0.997 -0.295 0.000) 1.040 8.200 ( 1.406 2.902 0.000) 3.225 8.260 ( -4.321 4.562 0.000) 6.284 8.593 ( 0.629 9.244 0.000) 9.265 8.617 ( -1.622 9.185 0.000) 9.328 8.653 ( 0.978 9.829 0.000) 9.878 8.672 ( -0.849 8.477 0.000) 8.519 8.765 ( -0.117 7.522 0.000) 7.523 8.765 ( -0.020 7.612 0.000) 7.612 8.836 ( 2.143 13.318 0.000) 13.490 8.885 ( -2.209 13.449 0.000) 13.629 10.524 ( 2.752 -2.200 0.000) 3.524 10.573 ( -1.865 -1.803 0.000) 2.594 10.698 ( 0.158 -2.450 0.000) 2.455 10.708 ( -0.815 -2.126 0.000) 2.277 11.142 ( 0.228 -3.914 0.000) 3.921 11.145 ( 0.006 -3.740 0.000) 3.740 11.396 ( 1.010 -3.813 0.000) 3.944 11.404 ( 0.210 -3.379 0.000) 3.386 12.269 ( -0.258 -2.875 0.000) 2.887 12.270 ( -0.417 -3.351 0.000) 3.376 12.384 ( 0.825 -4.167 0.000) 4.248 12.406 ( -1.183 -4.020 0.000) 4.191======================= Grid point 15 (10/72) =======================q-point: ( 0.00 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.370 ( 0.000 27.226 0.000) 27.226 1.453 ( 0.000 16.028 0.000) 16.028 1.465 ( 0.000 21.204 0.000) 21.204 1.784 ( 0.000 9.955 0.000) 9.955 2.086 ( 0.000 17.655 0.000) 17.655 2.310 ( 0.000 5.575 0.000) 5.575 2.428 ( 0.000 4.834 0.000) 4.834 2.525 ( 0.000 10.064 0.000) 10.064 2.751 ( 0.000 32.930 0.000) 32.930 2.772 ( 0.000 13.846 0.000) 13.846 2.864 ( 0.000 12.961 0.000) 12.961 2.943 ( 0.000 7.690 0.000) 7.690 2.971 ( 0.000 1.356 0.000) 1.356 3.074 ( 0.000 -1.893 0.000) 1.893 3.130 ( 0.000 -6.319 0.000) 6.319 3.343 ( 0.000 16.119 0.000) 16.119 3.961 ( 0.000 15.207 0.000) 15.207 4.021 ( 0.000 12.711 0.000) 12.711 4.153 ( 0.000 13.252 0.000) 13.252 4.456 ( 0.000 13.352 0.000) 13.352 4.953 ( 0.000 -3.873 0.000) 3.873 5.074 ( 0.000 -2.739 0.000) 2.739 5.293 ( 0.000 -1.127 0.000) 1.127 5.615 ( 0.000 -6.698 0.000) 6.698 6.885 ( 0.000 7.556 0.000) 7.556 7.001 ( 0.000 1.582 0.000) 1.582 7.075 ( 0.000 -2.229 0.000) 2.229 7.098 ( 0.000 6.236 0.000) 6.236 7.196 ( 0.000 -1.908 0.000) 1.908 7.344 ( 0.000 11.502 0.000) 11.502 7.439 ( 0.000 -0.121 0.000) 0.121 7.442 ( 0.000 4.234 0.000) 4.234 7.581 ( 0.000 8.659 0.000) 8.659 7.593 ( 0.000 11.007 0.000) 11.007 7.733 ( 0.000 11.879 0.000) 11.879 7.810 ( 0.000 3.222 0.000) 3.222 7.997 ( 0.000 0.589 0.000) 0.589 7.998 ( 0.000 1.056 0.000) 1.056 8.220 ( 0.000 4.525 0.000) 4.525 8.478 ( 0.000 2.652 0.000) 2.652 8.872 ( 0.000 10.293 0.000) 10.293 8.872 ( 0.000 9.076 0.000) 9.076 8.877 ( 0.000 12.722 0.000) 12.722 8.887 ( 0.000 16.340 0.000) 16.340 8.941 ( 0.000 9.403 0.000) 9.403 9.063 ( 0.000 12.731 0.000) 12.731 9.103 ( 0.000 19.731 0.000) 19.731 9.228 ( 0.000 18.082 0.000) 18.082 10.405 ( 0.000 -0.120 0.000) 0.120 10.584 ( 0.000 -1.640 0.000) 1.640 10.636 ( 0.000 -3.489 0.000) 3.489 10.695 ( 0.000 -2.286 0.000) 2.286 11.050 ( 0.000 -4.049 0.000) 4.049 11.074 ( 0.000 -3.117 0.000) 3.117 11.259 ( 0.000 -4.459 0.000) 4.459 11.328 ( 0.000 -3.002 0.000) 3.002 12.204 ( 0.000 -4.049 0.000) 4.049 12.231 ( 0.000 -2.505 0.000) 2.505 12.283 ( 0.000 -3.828 0.000) 3.828 12.351 ( 0.000 -4.344 0.000) 4.344======================= Grid point 16 (11/72) =======================q-point: ( 0.20 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.393 ( 1.891 24.518 0.000) 24.591 1.447 ( 0.272 16.432 0.000) 16.434 1.537 ( 5.745 17.692 0.000) 18.601 1.813 ( 2.594 11.243 0.000) 11.538 2.061 ( -2.352 16.904 0.000) 17.067 2.177 ( -10.018 6.121 0.000) 11.739 2.432 ( 0.539 5.282 0.000) 5.309 2.551 ( 0.352 8.771 0.000) 8.778 2.784 ( 2.662 31.167 0.000) 31.281 2.799 ( 1.740 15.126 0.000) 15.226 2.832 ( -1.259 8.604 0.000) 8.696 2.928 ( -1.510 6.225 0.000) 6.406 2.971 ( 0.327 3.623 0.000) 3.638 3.049 ( -1.925 1.136 0.000) 2.236 3.189 ( 4.124 -1.553 0.000) 4.407 3.337 ( -0.657 13.564 0.000) 13.580 3.975 ( 1.174 14.878 0.000) 14.924 4.025 ( 0.294 12.880 0.000) 12.884 4.182 ( 2.577 13.342 0.000) 13.589 4.427 ( -2.598 13.363 0.000) 13.613 4.961 ( 0.781 -3.593 0.000) 3.677 5.060 ( -1.291 -2.772 0.000) 3.058 5.324 ( 2.812 -1.581 0.000) 3.226 5.584 ( -2.807 -6.135 0.000) 6.747 6.911 ( 2.355 6.475 0.000) 6.890 7.012 ( 1.010 1.402 0.000) 1.728 7.060 ( -0.852 -0.378 0.000) 0.932 7.129 ( 2.072 3.514 0.000) 4.079 7.168 ( -2.197 -0.172 0.000) 2.203 7.323 ( -1.905 10.009 0.000) 10.188 7.439 ( -0.031 -0.185 0.000) 0.188 7.440 ( -0.171 4.576 0.000) 4.580 7.571 ( -0.908 11.224 0.000) 11.261 7.577 ( -1.333 11.234 0.000) 11.312 7.749 ( 1.342 11.087 0.000) 11.168 7.813 ( 0.116 4.985 0.000) 4.987 8.008 ( 0.822 0.314 0.000) 0.880 8.010 ( 0.981 -0.121 0.000) 0.988 8.234 ( 1.292 4.985 0.000) 5.150 8.440 ( -3.300 3.606 0.000) 4.889 8.870 ( -0.033 10.064 0.000) 10.065 8.873 ( -0.313 14.478 0.000) 14.482 8.880 ( -0.492 14.452 0.000) 14.460 8.880 ( 0.431 10.091 0.000) 10.100 8.941 ( -0.041 9.266 0.000) 9.266 9.012 ( -3.699 14.072 0.000) 14.550 9.123 ( 1.714 19.463 0.000) 19.539 9.229 ( -0.246 17.685 0.000) 17.686 10.432 ( 2.207 -0.758 0.000) 2.333 10.571 ( -1.190 -1.664 0.000) 2.046 10.637 ( 0.181 -3.170 0.000) 3.175 10.685 ( -0.865 -2.164 0.000) 2.330 11.052 ( 0.218 -4.070 0.000) 4.076 11.072 ( -0.200 -3.264 0.000) 3.270 11.278 ( 1.516 -4.499 0.000) 4.748 11.330 ( 0.151 -3.244 0.000) 3.247 12.203 ( -0.131 -3.760 0.000) 3.762 12.224 ( -0.605 -2.551 0.000) 2.622 12.285 ( 0.266 -3.905 0.000) 3.914 12.341 ( -0.824 -4.327 0.000) 4.405======================= Grid point 17 (12/72) =======================q-point: ( 0.40 0.21 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( 1.663 18.981 0.000) 19.054 1.453 ( -0.037 15.825 0.000) 15.825 1.704 ( 9.598 13.090 0.000) 16.232 1.882 ( 2.172 14.697 0.000) 14.856 1.946 ( -9.344 7.207 0.000) 11.801 1.989 ( -4.176 15.144 0.000) 15.710 2.458 ( 2.045 6.198 0.000) 6.526 2.516 ( -2.948 7.037 0.000) 7.629 2.822 ( 1.875 6.149 0.000) 6.428 2.839 ( 1.923 25.960 0.000) 26.031 2.850 ( 0.938 18.827 0.000) 18.850 2.878 ( -2.885 4.439 0.000) 5.294 2.985 ( 0.924 5.846 0.000) 5.919 3.011 ( -1.502 5.258 0.000) 5.468 3.268 ( 2.905 4.186 0.000) 5.095 3.314 ( -1.533 9.028 0.000) 9.157 4.004 ( 1.376 14.097 0.000) 14.164 4.025 ( -0.475 13.331 0.000) 13.339 4.256 ( 4.232 13.489 0.000) 14.137 4.351 ( -4.300 13.459 0.000) 14.129 4.987 ( 1.561 -3.087 0.000) 3.459 5.025 ( -1.843 -2.829 0.000) 3.377 5.405 ( 4.495 -2.941 0.000) 5.372 5.504 ( -4.475 -4.699 0.000) 6.489 6.977 ( 3.520 3.361 0.000) 4.866 7.037 ( -1.661 0.264 0.000) 1.682 7.041 ( 1.694 1.080 0.000) 2.009 7.094 ( -3.344 0.041 0.000) 3.344 7.198 ( 3.264 5.778 0.000) 6.636 7.268 ( -3.107 7.254 0.000) 7.892 7.439 ( 0.068 3.470 0.000) 3.471 7.439 ( 0.040 0.418 0.000) 0.420 7.549 ( -0.889 13.547 0.000) 13.576 7.549 ( -0.818 14.713 0.000) 14.736 7.782 ( 1.556 9.597 0.000) 9.722 7.808 ( -0.711 7.729 0.000) 7.761 8.026 ( 0.649 -0.932 0.000) 1.135 8.028 ( 0.506 -1.101 0.000) 1.212 8.277 ( 2.868 5.758 0.000) 6.433 8.355 ( -4.172 5.341 0.000) 6.777 8.869 ( 0.211 16.913 0.000) 16.914 8.870 ( 0.062 10.481 0.000) 10.481 8.873 ( -0.187 11.191 0.000) 11.193 8.882 ( -0.493 13.901 0.000) 13.909 8.939 ( -0.099 9.326 0.000) 9.326 8.949 ( -1.566 11.968 0.000) 12.070 9.167 ( 2.195 18.896 0.000) 19.023 9.209 ( -1.591 18.149 0.000) 18.219 10.486 ( 2.581 -1.523 0.000) 2.996 10.536 ( -2.043 -1.702 0.000) 2.659 10.646 ( 0.624 -2.552 0.000) 2.627 10.664 ( -1.014 -2.147 0.000) 2.374 11.059 ( 0.367 -3.976 0.000) 3.992 11.066 ( -0.308 -3.634 0.000) 3.647 11.311 ( 1.331 -4.346 0.000) 4.545 11.329 ( -0.362 -3.822 0.000) 3.839 12.202 ( 0.115 -3.168 0.000) 3.170 12.209 ( -0.600 -2.737 0.000) 2.802 12.297 ( 0.835 -4.091 0.000) 4.176 12.319 ( -1.153 -4.251 0.000) 4.405======================= Grid point 20 (13/72) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( 0.000 14.580 0.000) 14.580 1.855 ( 0.000 16.226 0.000) 16.226 1.931 ( 0.000 26.694 0.000) 26.694 2.010 ( 0.000 10.780 0.000) 10.780 2.349 ( 0.000 -1.820 0.000) 1.820 2.452 ( 0.000 17.050 0.000) 17.050 2.531 ( 0.000 5.480 0.000) 5.480 2.698 ( 0.000 6.905 0.000) 6.905 2.903 ( 0.000 -2.805 0.000) 2.805 2.992 ( 0.000 3.678 0.000) 3.678 3.001 ( 0.000 0.979 0.000) 0.979 3.057 ( 0.000 1.666 0.000) 1.666 3.120 ( 0.000 8.707 0.000) 8.707 3.142 ( 0.000 9.755 0.000) 9.755 3.361 ( 0.000 24.536 0.000) 24.536 3.739 ( 0.000 18.928 0.000) 18.928 4.226 ( 0.000 10.102 0.000) 10.102 4.250 ( 0.000 9.390 0.000) 9.390 4.381 ( 0.000 8.839 0.000) 8.839 4.632 ( 0.000 2.583 0.000) 2.583 4.860 ( 0.000 -4.964 0.000) 4.964 5.067 ( 0.000 2.919 0.000) 2.919 5.276 ( 0.000 -0.388 0.000) 0.388 5.458 ( 0.000 -8.534 0.000) 8.534 6.943 ( 0.000 0.581 0.000) 0.581 6.996 ( 0.000 -1.000 0.000) 1.000 7.036 ( 0.000 -1.490 0.000) 1.490 7.104 ( 0.000 -2.482 0.000) 2.482 7.211 ( 0.000 2.023 0.000) 2.023 7.371 ( 0.000 -4.930 0.000) 4.930 7.429 ( 0.000 -1.067 0.000) 1.067 7.430 ( 0.000 -0.669 0.000) 0.669 7.709 ( 0.000 4.249 0.000) 4.249 7.853 ( 0.000 8.428 0.000) 8.428 7.884 ( 0.000 2.780 0.000) 2.780 7.926 ( 0.000 6.034 0.000) 6.034 8.022 ( 0.000 2.034 0.000) 2.034 8.051 ( 0.000 3.965 0.000) 3.965 8.366 ( 0.000 7.138 0.000) 7.138 8.528 ( 0.000 1.416 0.000) 1.416 9.063 ( 0.000 9.158 0.000) 9.158 9.069 ( 0.000 8.962 0.000) 8.962 9.119 ( 0.000 10.803 0.000) 10.803 9.139 ( 0.000 9.587 0.000) 9.587 9.267 ( 0.000 20.076 0.000) 20.076 9.374 ( 0.000 16.737 0.000) 16.737 9.565 ( 0.000 23.272 0.000) 23.272 9.618 ( 0.000 18.695 0.000) 18.695 10.405 ( 0.000 0.123 0.000) 0.123 10.550 ( 0.000 -1.643 0.000) 1.643 10.566 ( 0.000 -3.165 0.000) 3.165 10.650 ( 0.000 -2.028 0.000) 2.028 10.974 ( 0.000 -3.159 0.000) 3.159 11.024 ( 0.000 -1.624 0.000) 1.624 11.167 ( 0.000 -4.367 0.000) 4.367 11.266 ( 0.000 -2.986 0.000) 2.986 12.131 ( 0.000 -2.932 0.000) 2.932 12.184 ( 0.000 -1.988 0.000) 1.988 12.214 ( 0.000 -2.960 0.000) 2.960 12.266 ( 0.000 -3.776 0.000) 3.776======================= Grid point 21 (14/72) =======================q-point: ( 0.20 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.779 ( 0.068 14.768 0.000) 14.768 1.875 ( 1.955 14.358 0.000) 14.490 1.879 ( -3.010 20.356 0.000) 20.578 2.086 ( 5.018 15.567 0.000) 16.356 2.251 ( -7.493 0.913 0.000) 7.549 2.411 ( -3.377 15.934 0.000) 16.288 2.547 ( 1.092 6.449 0.000) 6.541 2.681 ( -2.251 4.227 0.000) 4.789 2.893 ( 0.034 1.385 0.000) 1.386 2.983 ( -1.503 1.952 0.000) 2.464 3.015 ( 1.427 3.704 0.000) 3.969 3.055 ( -0.181 1.448 0.000) 1.459 3.134 ( 3.228 11.687 0.000) 12.125 3.254 ( 7.366 6.643 0.000) 9.919 3.356 ( -0.642 22.704 0.000) 22.713 3.689 ( -4.361 17.016 0.000) 17.565 4.233 ( 0.581 9.794 0.000) 9.811 4.254 ( 0.296 9.141 0.000) 9.146 4.413 ( 2.719 9.020 0.000) 9.421 4.613 ( -1.784 3.521 0.000) 3.947 4.877 ( 1.573 -4.319 0.000) 4.597 5.042 ( -2.162 1.899 0.000) 2.878 5.298 ( 1.815 -0.899 0.000) 2.026 5.441 ( -1.476 -7.650 0.000) 7.791 6.956 ( 1.178 0.257 0.000) 1.206 7.006 ( 0.922 -1.005 0.000) 1.364 7.031 ( -0.396 -1.398 0.000) 1.453 7.099 ( -0.760 -2.617 0.000) 2.725 7.217 ( 0.864 2.098 0.000) 2.269 7.355 ( -1.501 -3.482 0.000) 3.792 7.422 ( -0.494 -1.566 0.000) 1.642 7.426 ( -0.357 -0.813 0.000) 0.888 7.723 ( 1.254 4.545 0.000) 4.714 7.829 ( -1.555 7.308 0.000) 7.472 7.911 ( 1.787 3.981 0.000) 4.363 7.938 ( 0.955 6.118 0.000) 6.192 8.020 ( -0.195 1.467 0.000) 1.480 8.044 ( -0.631 3.285 0.000) 3.345 8.377 ( 0.970 6.530 0.000) 6.602 8.506 ( -1.976 1.954 0.000) 2.779 9.071 ( 0.501 9.441 0.000) 9.454 9.075 ( 0.731 8.925 0.000) 8.955 9.112 ( -0.597 10.667 0.000) 10.684 9.137 ( -0.308 9.471 0.000) 9.476 9.270 ( 0.283 20.581 0.000) 20.583 9.355 ( -1.627 18.058 0.000) 18.131 9.573 ( 0.682 22.573 0.000) 22.584 9.617 ( -0.167 18.764 0.000) 18.765 10.422 ( 1.444 -0.246 0.000) 1.465 10.537 ( -1.140 -1.560 0.000) 1.932 10.574 ( 0.738 -2.858 0.000) 2.952 10.643 ( -0.679 -1.884 0.000) 2.003 10.977 ( 0.280 -3.094 0.000) 3.106 11.018 ( -0.511 -1.804 0.000) 1.875 11.185 ( 1.473 -4.447 0.000) 4.684 11.263 ( -0.315 -3.254 0.000) 3.269 12.134 ( 0.323 -2.739 0.000) 2.758 12.176 ( -0.645 -1.971 0.000) 2.074 12.214 ( 0.083 -3.030 0.000) 3.031 12.257 ( -0.755 -3.724 0.000) 3.800======================= Grid point 22 (15/72) =======================q-point: ( 0.40 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.789 ( 1.008 15.247 0.000) 15.280 1.823 ( -2.149 16.919 0.000) 17.055 1.945 ( 4.727 9.964 0.000) 11.029 2.077 ( -7.341 4.858 0.000) 8.803 2.207 ( 5.380 16.586 0.000) 17.437 2.320 ( -4.953 15.978 0.000) 16.728 2.574 ( 1.597 5.861 0.000) 6.074 2.620 ( -2.755 4.160 0.000) 4.990 2.910 ( 1.367 4.184 0.000) 4.402 2.946 ( -1.836 3.526 0.000) 3.976 3.036 ( 0.650 2.488 0.000) 2.572 3.048 ( -0.491 1.666 0.000) 1.737 3.235 ( 5.103 14.755 0.000) 15.613 3.322 ( -2.806 18.680 0.000) 18.890 3.417 ( 7.550 8.203 0.000) 11.149 3.569 ( -6.573 12.639 0.000) 14.246 4.247 ( 0.663 9.182 0.000) 9.206 4.256 ( -0.152 8.883 0.000) 8.885 4.484 ( 3.657 8.219 0.000) 8.996 4.559 ( -3.154 5.879 0.000) 6.672 4.924 ( 2.659 -2.593 0.000) 3.714 4.985 ( -2.930 -0.277 0.000) 2.943 5.346 ( 2.495 -2.751 0.000) 3.714 5.399 ( -2.367 -5.393 0.000) 5.889 6.988 ( 1.697 -0.537 0.000) 1.780 7.018 ( -0.941 -1.184 0.000) 1.513 7.032 ( 1.433 -1.143 0.000) 1.833 7.068 ( -1.883 -1.795 0.000) 2.602 7.254 ( 2.427 0.988 0.000) 2.621 7.310 ( -2.570 -0.938 0.000) 2.736 7.415 ( -0.133 -1.819 0.000) 1.824 7.417 ( -0.333 -1.275 0.000) 1.318 7.757 ( 1.746 5.448 0.000) 5.721 7.794 ( -1.708 6.610 0.000) 6.827 7.946 ( 1.292 5.114 0.000) 5.275 7.956 ( 0.452 6.506 0.000) 6.522 8.017 ( 0.013 0.261 0.000) 0.261 8.027 ( -0.819 1.512 0.000) 1.720 8.407 ( 1.858 5.036 0.000) 5.368 8.455 ( -2.504 3.323 0.000) 4.160 9.082 ( 0.631 9.882 0.000) 9.902 9.097 ( -0.738 10.358 0.000) 10.384 9.098 ( 1.252 9.098 0.000) 9.184 9.123 ( -0.977 9.261 0.000) 9.313 9.283 ( 1.075 21.089 0.000) 21.116 9.315 ( -1.839 20.213 0.000) 20.297 9.591 ( 0.938 20.988 0.000) 21.009 9.609 ( -0.646 19.487 0.000) 19.498 10.461 ( 2.072 -0.898 0.000) 2.258 10.504 ( -1.884 -1.333 0.000) 2.308 10.596 ( 1.213 -2.224 0.000) 2.533 10.622 ( -1.185 -1.819 0.000) 2.171 10.987 ( 0.684 -2.811 0.000) 2.893 11.003 ( -0.782 -2.285 0.000) 2.415 11.221 ( 1.656 -4.362 0.000) 4.666 11.250 ( -0.979 -3.864 0.000) 3.987 12.144 ( 0.608 -2.311 0.000) 2.389 12.160 ( -0.813 -2.017 0.000) 2.175 12.220 ( 0.563 -3.271 0.000) 3.319 12.237 ( -0.975 -3.554 0.000) 3.685======================= Grid point 25 (16/72) =======================q-point: ( 0.00 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.017 ( 0.000 8.105 0.000) 8.105 2.115 ( 0.000 8.668 0.000) 8.668 2.160 ( 0.000 2.176 0.000) 2.176 2.250 ( 0.000 -5.936 0.000) 5.936 2.455 ( 0.000 22.496 0.000) 22.496 2.661 ( 0.000 7.206 0.000) 7.206 2.753 ( 0.000 11.121 0.000) 11.121 2.757 ( 0.000 1.533 0.000) 1.533 2.953 ( 0.000 7.427 0.000) 7.427 3.044 ( 0.000 4.167 0.000) 4.167 3.078 ( 0.000 4.271 0.000) 4.271 3.126 ( 0.000 4.741 0.000) 4.741 3.256 ( 0.000 4.788 0.000) 4.788 3.338 ( 0.000 7.959 0.000) 7.959 3.773 ( 0.000 15.434 0.000) 15.434 4.060 ( 0.000 11.351 0.000) 11.351 4.367 ( 0.000 3.562 0.000) 3.562 4.412 ( 0.000 6.679 0.000) 6.679 4.521 ( 0.000 4.898 0.000) 4.898 4.584 ( 0.000 -5.671 0.000) 5.671 4.767 ( 0.000 -3.339 0.000) 3.339 5.169 ( 0.000 5.525 0.000) 5.525 5.268 ( 0.000 -9.713 0.000) 9.713 5.278 ( 0.000 0.562 0.000) 0.562 6.943 ( 0.000 -0.322 0.000) 0.322 6.973 ( 0.000 -1.151 0.000) 1.151 7.014 ( 0.000 -0.608 0.000) 0.608 7.056 ( 0.000 -1.983 0.000) 1.983 7.253 ( 0.000 2.147 0.000) 2.147 7.286 ( 0.000 -3.051 0.000) 3.051 7.377 ( 0.000 -3.199 0.000) 3.199 7.412 ( 0.000 -1.139 0.000) 1.139 7.783 ( 0.000 3.456 0.000) 3.456 7.937 ( 0.000 2.860 0.000) 2.860 7.978 ( 0.000 5.138 0.000) 5.138 8.005 ( 0.000 2.216 0.000) 2.216 8.069 ( 0.000 2.441 0.000) 2.441 8.127 ( 0.000 2.713 0.000) 2.713 8.446 ( 0.000 0.396 0.000) 0.396 8.516 ( 0.000 -2.738 0.000) 2.738 9.239 ( 0.000 7.681 0.000) 7.681 9.242 ( 0.000 7.604 0.000) 7.604 9.318 ( 0.000 8.315 0.000) 8.315 9.323 ( 0.000 7.981 0.000) 7.981 9.680 ( 0.000 18.900 0.000) 18.900 9.714 ( 0.000 15.449 0.000) 15.449 9.952 ( 0.000 12.764 0.000) 12.764 9.992 ( 0.000 16.860 0.000) 16.860 10.413 ( 0.000 0.708 0.000) 0.708 10.510 ( 0.000 -2.187 0.000) 2.187 10.519 ( 0.000 -1.168 0.000) 1.168 10.613 ( 0.000 -1.557 0.000) 1.557 10.926 ( 0.000 -1.422 0.000) 1.422 11.011 ( 0.000 0.434 0.000) 0.434 11.082 ( 0.000 -3.890 0.000) 3.890 11.205 ( 0.000 -2.932 0.000) 2.932 12.087 ( 0.000 -1.246 0.000) 1.246 12.151 ( 0.000 -1.197 0.000) 1.197 12.160 ( 0.000 -2.288 0.000) 2.288 12.199 ( 0.000 -2.678 0.000) 2.678======================= Grid point 26 (17/72) =======================q-point: ( 0.20 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.016 ( 0.053 7.926 0.000) 7.926 2.108 ( -0.488 7.914 0.000) 7.929 2.125 ( -2.730 3.773 0.000) 4.657 2.206 ( -3.392 -3.474 0.000) 4.855 2.487 ( 2.676 20.097 0.000) 20.274 2.651 ( -1.036 8.414 0.000) 8.478 2.739 ( -1.250 3.356 0.000) 3.581 2.742 ( -0.858 10.589 0.000) 10.624 2.983 ( 2.064 6.880 0.000) 7.183 3.042 ( -0.206 4.337 0.000) 4.341 3.089 ( 0.502 3.757 0.000) 3.791 3.118 ( -0.693 4.571 0.000) 4.623 3.324 ( 6.160 6.137 0.000) 8.696 3.392 ( 5.054 6.470 0.000) 8.210 3.734 ( -3.537 13.997 0.000) 14.437 3.975 ( -7.326 10.122 0.000) 12.495 4.369 ( 0.229 3.484 0.000) 3.492 4.400 ( -0.685 5.171 0.000) 5.216 4.551 ( 1.848 4.272 0.000) 4.654 4.583 ( -0.051 -4.952 0.000) 4.953 4.806 ( 3.584 -1.686 0.000) 3.961 5.126 ( -3.636 5.032 0.000) 6.208 5.274 ( 0.484 -8.429 0.000) 8.443 5.287 ( 0.497 -0.187 0.000) 0.531 6.952 ( 0.858 -0.374 0.000) 0.936 6.983 ( 0.865 -1.183 0.000) 1.466 7.010 ( -0.373 -0.632 0.000) 0.734 7.051 ( -0.521 -1.935 0.000) 2.004 7.257 ( 0.372 1.933 0.000) 1.969 7.288 ( 0.157 -2.417 0.000) 2.422 7.374 ( -0.152 -2.744 0.000) 2.748 7.405 ( -0.550 -1.186 0.000) 1.307 7.799 ( 1.384 3.400 0.000) 3.671 7.919 ( -1.405 3.276 0.000) 3.565 7.994 ( 1.241 4.343 0.000) 4.517 8.014 ( 0.835 2.065 0.000) 2.227 8.064 ( -0.463 2.520 0.000) 2.562 8.112 ( -1.327 2.517 0.000) 2.845 8.446 ( 0.034 0.053 0.000) 0.063 8.501 ( -1.217 -2.417 0.000) 2.706 9.247 ( 0.730 7.601 0.000) 7.636 9.251 ( 0.799 7.757 0.000) 7.798 9.309 ( -0.713 8.288 0.000) 8.319 9.319 ( -0.505 7.883 0.000) 7.899 9.685 ( 0.500 18.769 0.000) 18.776 9.715 ( -0.033 16.042 0.000) 16.042 9.954 ( 0.260 13.030 0.000) 13.033 9.987 ( -0.399 16.404 0.000) 16.409 10.423 ( 0.942 0.491 0.000) 1.062 10.510 ( -0.885 -0.973 0.000) 1.315 10.524 ( 1.206 -1.976 0.000) 2.315 10.609 ( -0.486 -1.439 0.000) 1.519 10.931 ( 0.502 -1.268 0.000) 1.364 11.002 ( -0.864 0.247 0.000) 0.899 11.097 ( 1.352 -4.010 0.000) 4.232 11.196 ( -0.784 -3.175 0.000) 3.270 12.093 ( 0.531 -1.204 0.000) 1.316 12.144 ( -0.585 -1.140 0.000) 1.281 12.160 ( 0.038 -2.244 0.000) 2.245 12.192 ( -0.622 -2.594 0.000) 2.668======================= Grid point 27 (18/72) =======================q-point: ( 0.40 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.026 ( 1.052 7.185 0.000) 7.261 2.065 ( -2.538 5.758 0.000) 6.292 2.105 ( 0.453 5.433 0.000) 5.452 2.137 ( -2.594 1.267 0.000) 2.886 2.553 ( 3.154 16.167 0.000) 16.471 2.614 ( -2.411 12.040 0.000) 12.279 2.720 ( -0.308 6.126 0.000) 6.134 2.724 ( -0.606 8.582 0.000) 8.603 3.019 ( 1.185 6.236 0.000) 6.348 3.035 ( -0.471 5.119 0.000) 5.141 3.094 ( 0.156 3.483 0.000) 3.486 3.102 ( -0.643 4.007 0.000) 4.058 3.482 ( 7.543 9.240 0.000) 11.928 3.554 ( 9.795 4.839 0.000) 10.925 3.629 ( -6.065 11.221 0.000) 12.756 3.778 ( -10.478 7.407 0.000) 12.831 4.377 ( 0.446 3.462 0.000) 3.491 4.387 ( -0.544 3.917 0.000) 3.955 4.577 ( 0.546 0.606 0.000) 0.815 4.582 ( -0.078 -2.830 0.000) 2.832 4.909 ( 5.572 1.680 0.000) 5.820 5.028 ( -5.302 3.882 0.000) 6.571 5.285 ( 0.498 -5.511 0.000) 5.533 5.292 ( -0.068 -2.456 0.000) 2.457 6.976 ( 1.219 -0.556 0.000) 1.340 6.998 ( -0.798 -0.675 0.000) 1.045 7.006 ( 1.200 -1.270 0.000) 1.747 7.032 ( -1.190 -1.583 0.000) 1.980 7.271 ( 0.853 0.915 0.000) 1.251 7.286 ( -0.456 -0.819 0.000) 0.938 7.376 ( 0.398 -1.928 0.000) 1.969 7.390 ( -0.796 -1.401 0.000) 1.612 7.837 ( 2.090 3.348 0.000) 3.946 7.882 ( -2.002 3.370 0.000) 3.920 8.023 ( 1.346 3.408 0.000) 3.664 8.039 ( 1.337 1.802 0.000) 2.244 8.049 ( -0.800 2.927 0.000) 3.034 8.077 ( -1.814 2.151 0.000) 2.814 8.451 ( 0.567 -0.745 0.000) 0.937 8.472 ( -1.323 -1.648 0.000) 2.114 9.267 ( 1.066 7.878 0.000) 7.950 9.274 ( 1.281 7.699 0.000) 7.805 9.290 ( -1.020 8.165 0.000) 8.228 9.301 ( -1.141 7.720 0.000) 7.803 9.699 ( 0.677 18.273 0.000) 18.286 9.711 ( -0.385 17.274 0.000) 17.278 9.963 ( 0.533 13.898 0.000) 13.908 9.976 ( -0.617 15.227 0.000) 15.239 10.450 ( 1.522 0.008 0.000) 1.522 10.484 ( -1.477 -0.519 0.000) 1.566 10.556 ( 1.706 -1.565 0.000) 2.315 10.590 ( -1.289 -1.340 0.000) 1.859 10.949 ( 1.168 -0.843 0.000) 1.441 10.977 ( -1.356 -0.251 0.000) 1.379 11.134 ( 1.881 -4.045 0.000) 4.461 11.171 ( -1.542 -3.692 0.000) 4.001 12.109 ( 0.860 -1.113 0.000) 1.406 12.128 ( -0.877 -1.068 0.000) 1.382 12.164 ( 0.366 -2.236 0.000) 2.266 12.176 ( -0.745 -2.396 0.000) 2.509======================= Grid point 30 (19/72) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.119 ( 0.000 -3.970 0.000) 3.970 2.124 ( 0.000 -5.142 0.000) 5.142 2.130 ( 0.000 3.755 0.000) 3.755 2.212 ( 0.000 1.177 0.000) 1.177 2.810 ( 0.000 6.427 0.000) 6.427 2.834 ( 0.000 12.558 0.000) 12.558 2.849 ( 0.000 6.011 0.000) 6.011 2.892 ( 0.000 3.066 0.000) 3.066 3.101 ( 0.000 5.817 0.000) 5.817 3.151 ( 0.000 2.589 0.000) 2.589 3.170 ( 0.000 6.523 0.000) 6.523 3.224 ( 0.000 3.907 0.000) 3.907 3.342 ( 0.000 4.346 0.000) 4.346 3.455 ( 0.000 2.992 0.000) 2.992 4.010 ( 0.000 8.153 0.000) 8.153 4.181 ( 0.000 0.691 0.000) 0.691 4.387 ( 0.000 -0.892 0.000) 0.892 4.452 ( 0.000 -6.010 0.000) 6.010 4.538 ( 0.000 5.311 0.000) 5.311 4.591 ( 0.000 2.060 0.000) 2.060 4.754 ( 0.000 2.579 0.000) 2.579 5.064 ( 0.000 -9.865 0.000) 9.865 5.261 ( 0.000 3.142 0.000) 3.142 5.294 ( 0.000 0.752 0.000) 0.752 6.936 ( 0.000 -0.241 0.000) 0.241 6.950 ( 0.000 -0.962 0.000) 0.962 7.008 ( 0.000 -0.039 0.000) 0.039 7.025 ( 0.000 -1.017 0.000) 1.017 7.251 ( 0.000 -0.364 0.000) 0.364 7.299 ( 0.000 2.256 0.000) 2.256 7.313 ( 0.000 -2.831 0.000) 2.831 7.383 ( 0.000 -1.651 0.000) 1.651 7.860 ( 0.000 3.943 0.000) 3.943 8.004 ( 0.000 -2.034 0.000) 2.034 8.005 ( 0.000 3.576 0.000) 3.576 8.077 ( 0.000 3.340 0.000) 3.340 8.153 ( 0.000 5.675 0.000) 5.675 8.168 ( 0.000 2.552 0.000) 2.552 8.396 ( 0.000 -4.699 0.000) 4.699 8.423 ( 0.000 -5.921 0.000) 5.921 9.367 ( 0.000 4.469 0.000) 4.469 9.369 ( 0.000 4.416 0.000) 4.416 9.453 ( 0.000 4.617 0.000) 4.617 9.455 ( 0.000 4.527 0.000) 4.527 9.983 ( 0.000 10.168 0.000) 10.168 10.013 ( 0.000 12.958 0.000) 12.958 10.123 ( 0.000 3.855 0.000) 3.855 10.220 ( 0.000 4.764 0.000) 4.764 10.437 ( 0.000 1.483 0.000) 1.483 10.478 ( 0.000 -0.973 0.000) 0.973 10.516 ( 0.000 1.205 0.000) 1.205 10.585 ( 0.000 -1.253 0.000) 1.253 10.918 ( 0.000 0.717 0.000) 0.717 11.009 ( 0.000 -3.192 0.000) 3.192 11.038 ( 0.000 2.005 0.000) 2.005 11.145 ( 0.000 -2.886 0.000) 2.886 12.078 ( 0.000 0.182 0.000) 0.182 12.119 ( 0.000 -1.670 0.000) 1.670 12.135 ( 0.000 -0.342 0.000) 0.342 12.156 ( 0.000 -1.475 0.000) 1.475======================= Grid point 31 (20/72) =======================q-point: ( 0.20 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.107 ( -0.544 -2.860 0.000) 2.912 2.125 ( -0.473 3.498 0.000) 3.530 2.129 ( 0.139 -3.672 0.000) 3.674 2.198 ( -1.250 1.159 0.000) 1.704 2.811 ( 0.104 6.608 0.000) 6.609 2.825 ( -0.506 10.211 0.000) 10.223 2.855 ( 0.394 7.429 0.000) 7.439 2.886 ( -0.479 3.476 0.000) 3.508 3.121 ( 1.452 5.572 0.000) 5.758 3.159 ( 0.524 2.875 0.000) 2.922 3.164 ( -0.516 6.320 0.000) 6.341 3.215 ( -0.757 3.962 0.000) 4.034 3.417 ( 6.980 3.923 0.000) 8.007 3.497 ( 4.046 3.032 0.000) 5.056 3.948 ( -5.451 7.406 0.000) 9.196 4.094 ( -7.825 1.463 0.000) 7.960 4.391 ( 0.393 -0.676 0.000) 0.782 4.462 ( 0.930 -5.716 0.000) 5.791 4.483 ( -2.933 3.377 0.000) 4.473 4.585 ( -1.586 -0.597 0.000) 1.694 4.835 ( 6.291 4.143 0.000) 7.533 5.102 ( 3.081 -8.054 0.000) 8.623 5.216 ( -3.717 3.488 0.000) 5.097 5.285 ( -1.198 -0.268 0.000) 1.228 6.945 ( 0.853 -0.201 0.000) 0.876 6.960 ( 0.859 -0.946 0.000) 1.278 7.004 ( -0.423 -0.052 0.000) 0.426 7.021 ( -0.431 -1.018 0.000) 1.105 7.262 ( 0.938 -0.155 0.000) 0.951 7.298 ( -0.097 2.059 0.000) 2.061 7.319 ( 0.583 -2.462 0.000) 2.530 7.376 ( -0.571 -1.611 0.000) 1.709 7.874 ( 1.265 3.860 0.000) 4.062 7.991 ( -1.285 3.624 0.000) 3.845 8.014 ( 0.849 -1.905 0.000) 2.086 8.079 ( 0.033 2.243 0.000) 2.243 8.148 ( -0.390 5.622 0.000) 5.635 8.154 ( -1.077 3.248 0.000) 3.422 8.392 ( -0.304 -4.765 0.000) 4.774 8.414 ( -0.761 -5.730 0.000) 5.780 9.375 ( 0.757 4.492 0.000) 4.555 9.378 ( 0.819 4.382 0.000) 4.458 9.444 ( -0.736 4.645 0.000) 4.703 9.449 ( -0.645 4.435 0.000) 4.481 9.991 ( 0.597 10.328 0.000) 10.345 10.013 ( -0.012 12.608 0.000) 12.608 10.131 ( 0.718 4.014 0.000) 4.078 10.210 ( -0.913 4.715 0.000) 4.802 10.445 ( 0.782 1.560 0.000) 1.746 10.494 ( 1.389 -0.988 0.000) 1.705 10.511 ( -0.522 1.378 0.000) 1.473 10.582 ( -0.354 -1.216 0.000) 1.266 10.927 ( 0.792 0.860 0.000) 1.169 11.021 ( 1.170 -3.320 0.000) 3.520 11.025 ( -1.165 1.886 0.000) 2.217 11.132 ( -1.134 -3.030 0.000) 3.235 12.083 ( 0.508 0.129 0.000) 0.524 12.121 ( 0.174 -1.561 0.000) 1.571 12.129 ( -0.485 -0.290 0.000) 0.565 12.151 ( -0.482 -1.410 0.000) 1.490======================= Grid point 32 (21/72) =======================q-point: ( 0.40 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.103 ( 0.216 -0.027 0.000) 0.218 2.113 ( -0.590 2.359 0.000) 2.432 2.136 ( 0.780 -1.226 0.000) 1.453 2.164 ( -1.680 0.579 0.000) 1.777 2.814 ( 0.138 7.298 0.000) 7.299 2.817 ( -0.216 8.518 0.000) 8.520 2.864 ( 0.449 6.548 0.000) 6.563 2.874 ( -0.543 4.742 0.000) 4.773 3.143 ( 0.501 5.183 0.000) 5.208 3.152 ( -0.502 5.719 0.000) 5.741 3.174 ( 0.904 3.797 0.000) 3.903 3.195 ( -1.013 4.047 0.000) 4.172 3.619 ( 10.390 3.927 0.000) 11.107 3.627 ( 8.625 2.882 0.000) 9.094 3.798 ( -8.105 5.617 0.000) 9.861 3.877 ( -11.730 2.262 0.000) 11.946 4.405 ( 0.983 0.009 0.000) 0.983 4.434 ( -1.744 1.287 0.000) 2.167 4.492 ( 1.828 -4.856 0.000) 5.188 4.538 ( -2.390 -3.316 0.000) 4.088 4.979 ( 6.754 4.448 0.000) 8.087 5.114 ( -5.694 4.021 0.000) 6.971 5.176 ( 3.485 -5.078 0.000) 6.159 5.242 ( -2.645 -2.441 0.000) 3.599 6.968 ( 1.158 -0.162 0.000) 1.169 6.983 ( 1.153 -0.897 0.000) 1.460 6.990 ( -0.848 -0.114 0.000) 0.856 7.006 ( -0.953 -0.938 0.000) 1.337 7.283 ( 0.831 0.475 0.000) 0.957 7.295 ( -0.289 1.390 0.000) 1.420 7.337 ( 1.009 -1.829 0.000) 2.089 7.359 ( -0.996 -1.581 0.000) 1.869 7.910 ( 2.022 3.715 0.000) 4.229 7.954 ( -2.003 3.647 0.000) 4.161 8.039 ( 1.468 -1.573 0.000) 2.152 8.069 ( -1.079 -0.522 0.000) 1.198 8.136 ( -0.353 5.225 0.000) 5.237 8.139 ( -0.430 5.614 0.000) 5.630 8.388 ( 0.035 -4.963 0.000) 4.963 8.397 ( -0.714 -5.316 0.000) 5.364 9.397 ( 1.246 4.517 0.000) 4.685 9.401 ( 1.234 4.365 0.000) 4.536 9.424 ( -1.152 4.594 0.000) 4.737 9.428 ( -1.204 4.364 0.000) 4.527 10.004 ( 0.537 10.870 0.000) 10.883 10.011 ( -0.178 11.756 0.000) 11.757 10.153 ( 1.329 4.334 0.000) 4.533 10.184 ( -1.445 4.580 0.000) 4.803 10.468 ( 1.238 1.690 0.000) 2.095 10.493 ( -1.066 1.642 0.000) 1.957 10.530 ( 1.861 -1.047 0.000) 2.136 10.565 ( -1.266 -1.130 0.000) 1.697 10.953 ( 1.633 1.194 0.000) 2.023 10.992 ( -1.840 1.577 0.000) 2.424 11.056 ( 1.948 -3.452 0.000) 3.963 11.099 ( -1.916 -3.317 0.000) 3.830 12.098 ( 0.811 -0.008 0.000) 0.811 12.115 ( -0.789 -0.166 0.000) 0.806 12.127 ( 0.415 -1.365 0.000) 1.426 12.138 ( -0.613 -1.310 0.000) 1.447======================= Grid point 35 (22/72) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.068 ( 0.000 -0.047 0.000) 0.047 2.068 ( 0.000 0.047 0.000) 0.047 2.193 ( 0.000 -2.345 0.000) 2.345 2.193 ( 0.000 2.345 0.000) 2.345 2.901 ( 0.000 -2.097 0.000) 2.097 2.901 ( 0.000 2.097 0.000) 2.097 2.939 ( 0.000 -1.284 0.000) 1.284 2.939 ( 0.000 1.285 0.000) 1.285 3.172 ( 0.000 -1.017 0.000) 1.017 3.172 ( 0.000 1.017 0.000) 1.017 3.257 ( 0.000 -1.252 0.000) 1.252 3.257 ( 0.000 1.252 0.000) 1.252 3.443 ( 0.000 -4.086 0.000) 4.086 3.443 ( 0.000 4.086 0.000) 4.086 4.134 ( 0.000 -4.330 0.000) 4.330 4.134 ( 0.000 4.330 0.000) 4.330 4.376 ( 0.000 -1.021 0.000) 1.021 4.376 ( 0.000 1.021 0.000) 1.021 4.604 ( 0.000 -1.021 0.000) 1.021 4.604 ( 0.000 1.021 0.000) 1.021 4.873 ( 0.000 -8.271 0.000) 8.271 4.873 ( 0.000 8.271 0.000) 8.271 5.298 ( 0.000 -0.611 0.000) 0.611 5.298 ( 0.000 0.611 0.000) 0.611 6.936 ( 0.000 -0.346 0.000) 0.346 6.936 ( 0.000 0.346 0.000) 0.346 7.012 ( 0.000 -0.364 0.000) 0.364 7.012 ( 0.000 0.364 0.000) 0.364 7.266 ( 0.000 -1.644 0.000) 1.644 7.266 ( 0.000 1.644 0.000) 1.644 7.344 ( 0.000 -2.057 0.000) 2.057 7.344 ( 0.000 2.057 0.000) 2.057 7.941 ( 0.000 -3.772 0.000) 3.772 7.941 ( 0.000 3.772 0.000) 3.772 8.073 ( 0.000 -2.573 0.000) 2.573 8.073 ( 0.000 2.573 0.000) 2.573 8.274 ( 0.000 -6.529 0.000) 6.529 8.274 ( 0.000 6.529 0.000) 6.529 8.287 ( 0.000 -6.941 0.000) 6.941 8.287 ( 0.000 6.941 0.000) 6.941 9.415 ( 0.000 -0.054 0.000) 0.054 9.415 ( 0.000 0.054 0.000) 0.054 9.502 ( 0.000 -0.032 0.000) 0.032 9.502 ( 0.000 0.032 0.000) 0.032 10.124 ( 0.000 -3.469 0.000) 3.469 10.124 ( 0.000 3.469 0.000) 3.469 10.204 ( 0.000 -5.456 0.000) 5.456 10.204 ( 0.000 5.456 0.000) 5.456 10.462 ( 0.000 -0.838 0.000) 0.838 10.462 ( 0.000 0.838 0.000) 0.838 10.555 ( 0.000 -1.845 0.000) 1.845 10.555 ( 0.000 1.845 0.000) 1.845 10.951 ( 0.000 -2.316 0.000) 2.316 10.951 ( 0.000 2.316 0.000) 2.316 11.087 ( 0.000 -2.659 0.000) 2.659 11.087 ( 0.000 2.659 0.000) 2.659 12.091 ( 0.000 -1.042 0.000) 1.042 12.091 ( 0.000 1.042 0.000) 1.042 12.136 ( 0.000 -0.492 0.000) 0.492 12.136 ( 0.000 0.492 0.000) 0.492======================= Grid point 37 (23/72) =======================q-point: ( 0.20 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.078 ( 0.970 -0.616 0.000) 1.149 2.078 ( 0.970 0.616 0.000) 1.149 2.182 ( -1.019 -2.094 0.000) 2.329 2.182 ( -1.019 2.094 0.000) 2.329 2.901 ( 0.082 -1.900 0.000) 1.902 2.901 ( 0.082 1.901 0.000) 1.902 2.933 ( -0.520 -1.402 0.000) 1.495 2.933 ( -0.521 1.402 0.000) 1.495 3.189 ( 1.181 -0.731 0.000) 1.389 3.189 ( 1.181 0.731 0.000) 1.389 3.249 ( -0.674 -1.226 0.000) 1.399 3.249 ( -0.674 1.226 0.000) 1.399 3.497 ( 5.211 -2.942 0.000) 5.984 3.497 ( 5.211 2.942 0.000) 5.984 4.061 ( -6.558 -3.821 0.000) 7.590 4.061 ( -6.558 3.821 0.000) 7.590 4.385 ( 0.938 -1.290 0.000) 1.595 4.385 ( 0.938 1.290 0.000) 1.595 4.548 ( -3.879 -2.731 0.000) 4.744 4.548 ( -3.879 2.731 0.000) 4.744 4.949 ( 5.670 -6.619 0.000) 8.716 4.949 ( 5.670 6.619 0.000) 8.716 5.268 ( -2.768 -1.542 0.000) 3.168 5.268 ( -2.768 1.542 0.000) 3.168 6.946 ( 0.891 -0.348 0.000) 0.957 6.946 ( 0.891 0.348 0.000) 0.957 7.007 ( -0.432 -0.381 0.000) 0.576 7.007 ( -0.432 0.381 0.000) 0.576 7.277 ( 1.013 -1.506 0.000) 1.815 7.277 ( 1.013 1.506 0.000) 1.815 7.340 ( -0.421 -1.931 0.000) 1.976 7.340 ( -0.421 1.931 0.000) 1.976 7.953 ( 1.095 -3.653 0.000) 3.814 7.953 ( 1.095 3.653 0.000) 3.814 8.060 ( -1.152 -2.787 0.000) 3.016 8.060 ( -1.152 2.787 0.000) 3.016 8.270 ( -0.351 -6.586 0.000) 6.595 8.270 ( -0.351 6.586 0.000) 6.595 8.280 ( -0.514 -6.839 0.000) 6.858 8.280 ( -0.514 6.839 0.000) 6.858 9.424 ( 0.781 -0.096 0.000) 0.786 9.424 ( 0.781 0.096 0.000) 0.786 9.494 ( -0.719 -0.096 0.000) 0.725 9.494 ( -0.719 0.096 0.000) 0.725 10.133 ( 0.782 -3.489 0.000) 3.576 10.133 ( 0.782 3.489 0.000) 3.576 10.197 ( -0.624 -5.169 0.000) 5.207 10.197 ( -0.624 5.169 0.000) 5.207 10.475 ( 1.130 -1.091 0.000) 1.571 10.475 ( 1.130 1.091 0.000) 1.571 10.552 ( -0.369 -1.913 0.000) 1.948 10.552 ( -0.369 1.913 0.000) 1.948 10.962 ( 0.992 -2.414 0.000) 2.609 10.962 ( 0.992 2.414 0.000) 2.609 11.073 ( -1.270 -2.670 0.000) 2.957 11.073 ( -1.270 2.670 0.000) 2.957 12.095 ( 0.364 -0.942 0.000) 1.010 12.095 ( 0.364 0.942 0.000) 1.010 12.132 ( -0.428 -0.490 0.000) 0.651 12.132 ( -0.428 0.490 0.000) 0.651======================= Grid point 39 (24/72) =======================q-point: ( 0.40 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.109 ( 1.829 -0.919 0.000) 2.047 2.109 ( 1.829 0.919 0.000) 2.047 2.150 ( -1.860 -1.446 0.000) 2.356 2.150 ( -1.860 1.446 0.000) 2.356 2.906 ( 0.441 -1.566 0.000) 1.627 2.906 ( 0.441 1.566 0.000) 1.627 2.919 ( -0.691 -1.488 0.000) 1.641 2.919 ( -0.691 1.488 0.000) 1.641 3.212 ( 0.941 -0.861 0.000) 1.275 3.212 ( 0.941 0.861 0.000) 1.275 3.231 ( -0.902 -1.135 0.000) 1.450 3.231 ( -0.902 1.135 0.000) 1.450 3.659 ( 9.509 -0.464 0.000) 9.521 3.659 ( 9.510 0.465 0.000) 9.521 3.876 ( -10.087 -2.085 0.000) 10.300 3.876 ( -10.087 2.085 0.000) 10.300 4.416 ( 1.986 -1.947 0.000) 2.781 4.416 ( 1.986 1.947 0.000) 2.782 4.471 ( -3.114 -2.697 0.000) 4.120 4.471 ( -3.114 2.698 0.000) 4.120 5.075 ( 5.725 -4.745 0.000) 7.435 5.075 ( 5.725 4.745 0.000) 7.435 5.187 ( -4.625 -3.057 0.000) 5.544 5.187 ( -4.625 3.057 0.000) 5.544 6.970 ( 1.181 -0.342 0.000) 1.230 6.970 ( 1.181 0.342 0.000) 1.230 6.993 ( -0.902 -0.362 0.000) 0.972 6.993 ( -0.902 0.362 0.000) 0.972 7.303 ( 1.236 -1.384 0.000) 1.856 7.303 ( 1.236 1.384 0.000) 1.856 7.326 ( -0.867 -1.612 0.000) 1.830 7.326 ( -0.867 1.612 0.000) 1.830 7.985 ( 1.837 -3.386 0.000) 3.852 7.985 ( 1.837 3.386 0.000) 3.852 8.027 ( -1.884 -3.110 0.000) 3.636 8.027 ( -1.884 3.110 0.000) 3.636 8.264 ( -0.068 -6.615 0.000) 6.616 8.264 ( -0.068 6.615 0.000) 6.616 8.269 ( -0.463 -6.666 0.000) 6.682 8.269 ( -0.463 6.666 0.000) 6.682 9.446 ( 1.244 -0.093 0.000) 1.248 9.446 ( 1.244 0.093 0.000) 1.248 9.473 ( -1.203 -0.096 0.000) 1.207 9.473 ( -1.203 0.096 0.000) 1.207 10.154 ( 1.148 -3.771 0.000) 3.942 10.154 ( 1.148 3.771 0.000) 3.942 10.178 ( -1.047 -4.461 0.000) 4.582 10.178 ( -1.047 4.461 0.000) 4.582 10.506 ( 1.582 -1.567 0.000) 2.226 10.506 ( 1.582 1.567 0.000) 2.226 10.536 ( -1.133 -1.893 0.000) 2.207 10.536 ( -1.133 1.893 0.000) 2.207 10.993 ( 1.874 -2.588 0.000) 3.195 10.993 ( 1.874 2.588 0.000) 3.195 11.037 ( -2.028 -2.672 0.000) 3.354 11.037 ( -2.028 2.672 0.000) 3.354 12.106 ( 0.611 -0.720 0.000) 0.945 12.106 ( 0.611 0.720 0.000) 0.945 12.120 ( -0.651 -0.541 0.000) 0.847 12.120 ( -0.651 0.542 0.000) 0.847======================= Grid point 75 (25/72) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.385 ( 0.000 0.000 17.534) 17.534 0.503 ( 0.000 0.000 21.945) 21.945 0.690 ( 0.000 0.000 27.667) 27.667 1.027 ( 0.000 0.000 9.408) 9.408 1.047 ( 0.000 0.000 -12.663) 12.663 1.465 ( 0.000 0.000 6.825) 6.825 1.663 ( 0.000 0.000 -2.425) 2.425 1.778 ( 0.000 0.000 -7.590) 7.590 1.996 ( 0.000 0.000 -10.597) 10.597 2.011 ( 0.000 0.000 -14.128) 14.128 2.512 ( 0.000 0.000 2.530) 2.530 2.611 ( 0.000 0.000 2.472) 2.472 3.121 ( 0.000 0.000 8.583) 8.583 3.132 ( 0.000 0.000 0.284) 0.284 3.147 ( 0.000 0.000 -0.262) 0.262 3.233 ( 0.000 0.000 2.381) 2.381 3.250 ( 0.000 0.000 -1.215) 1.215 3.271 ( 0.000 0.000 0.810) 0.810 3.316 ( 0.000 0.000 -0.814) 0.814 3.696 ( 0.000 0.000 -10.730) 10.730 4.444 ( 0.000 0.000 2.525) 2.525 4.581 ( 0.000 0.000 -2.497) 2.497 5.200 ( 0.000 0.000 7.763) 7.763 5.290 ( 0.000 0.000 7.003) 7.003 5.436 ( 0.000 0.000 -3.617) 3.617 5.646 ( 0.000 0.000 0.767) 0.767 5.684 ( 0.000 0.000 -0.619) 0.619 5.743 ( 0.000 0.000 -7.909) 7.909 7.108 ( 0.000 0.000 1.350) 1.350 7.179 ( 0.000 0.000 -0.687) 0.687 7.210 ( 0.000 0.000 1.070) 1.070 7.285 ( 0.000 0.000 -1.067) 1.067 7.482 ( 0.000 0.000 0.144) 0.144 7.485 ( 0.000 0.000 0.199) 0.199 7.775 ( 0.000 0.000 0.954) 0.954 7.829 ( 0.000 0.000 -1.008) 1.008 7.945 ( 0.000 0.000 0.414) 0.414 7.971 ( 0.000 0.000 -0.610) 0.610 8.029 ( 0.000 0.000 0.267) 0.267 8.038 ( 0.000 0.000 -0.077) 0.077 8.531 ( 0.000 0.000 0.049) 0.049 8.534 ( 0.000 0.000 0.373) 0.373 8.535 ( 0.000 0.000 -0.093) 0.093 8.549 ( 0.000 0.000 0.252) 0.252 8.552 ( 0.000 0.000 -0.194) 0.194 8.561 ( 0.000 0.000 -0.211) 0.211 8.589 ( 0.000 0.000 0.332) 0.332 8.612 ( 0.000 0.000 -0.418) 0.418 10.449 ( 0.000 0.000 2.647) 2.647 10.613 ( 0.000 0.000 -3.576) 3.576 10.782 ( 0.000 0.000 0.405) 0.405 10.790 ( 0.000 0.000 -0.054) 0.054 11.233 ( 0.000 0.000 0.093) 0.093 11.245 ( 0.000 0.000 -0.345) 0.345 11.446 ( 0.000 0.000 0.552) 0.552 11.453 ( 0.000 0.000 0.381) 0.381 12.370 ( 0.000 0.000 2.335) 2.335 12.499 ( 0.000 0.000 -2.240) 2.240 12.538 ( 0.000 0.000 0.694) 0.694 12.583 ( 0.000 0.000 -0.868) 0.868======================= Grid point 76 (26/72) =======================q-point: ( 0.20 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( 12.194 0.000 12.374) 17.373 0.547 ( 12.294 0.000 10.800) 16.364 1.063 ( 0.710 0.000 -11.012) 11.035 1.091 ( 22.475 0.000 9.227) 24.295 1.208 ( 15.460 0.000 14.067) 20.902 1.442 ( -1.446 0.000 6.289) 6.453 1.627 ( -3.282 0.000 -2.233) 3.969 1.677 ( -9.914 0.000 -11.640) 15.290 1.848 ( -5.843 0.000 -4.767) 7.541 2.124 ( 2.965 0.000 -9.909) 10.343 2.520 ( 0.338 0.000 1.688) 1.722 2.591 ( -0.370 0.000 1.527) 1.572 3.072 ( -4.064 0.000 8.914) 9.796 3.152 ( 1.767 0.000 0.400) 1.811 3.153 ( -4.310 0.000 2.359) 4.913 3.173 ( 2.183 0.000 -0.379) 2.216 3.264 ( -0.704 0.000 0.774) 1.046 3.306 ( -0.902 0.000 -0.765) 1.183 3.343 ( 4.900 0.000 -2.266) 5.399 3.650 ( -4.039 0.000 -9.976) 10.763 4.478 ( 2.869 0.000 2.061) 3.533 4.589 ( 0.527 0.000 -2.007) 2.075 5.182 ( -1.329 0.000 7.213) 7.335 5.256 ( -2.580 0.000 4.848) 5.492 5.477 ( 3.435 0.000 -2.016) 3.983 5.706 ( 4.838 0.000 0.584) 4.873 5.718 ( -2.289 0.000 -7.210) 7.565 5.736 ( 4.181 0.000 -0.527) 4.214 7.113 ( 0.492 0.000 1.125) 1.228 7.161 ( -0.707 0.000 -0.389) 0.807 7.200 ( -0.684 0.000 1.422) 1.578 7.268 ( -1.631 0.000 -0.976) 1.901 7.501 ( 1.837 0.000 0.462) 1.895 7.536 ( 3.009 0.000 -1.303) 3.279 7.721 ( -3.747 0.000 1.877) 4.191 7.791 ( -3.479 0.000 -0.964) 3.610 7.951 ( 0.551 0.000 0.334) 0.644 7.971 ( 0.032 0.000 -0.430) 0.432 8.035 ( 0.447 0.000 0.222) 0.499 8.044 ( 0.420 0.000 -0.124) 0.438 8.442 ( -3.000 0.000 5.235) 6.034 8.532 ( 0.100 0.000 0.072) 0.123 8.534 ( -0.062 0.000 0.205) 0.215 8.537 ( 0.171 0.000 -0.135) 0.218 8.548 ( -0.091 0.000 0.246) 0.262 8.559 ( -0.206 0.000 -0.185) 0.277 8.565 ( -1.064 0.000 -0.499) 1.175 8.583 ( -2.878 0.000 -1.183) 3.112 10.557 ( 3.775 0.000 -1.550) 4.081 10.617 ( 0.151 0.000 -2.234) 2.239 10.771 ( -0.776 0.000 -0.026) 0.776 10.776 ( -1.103 0.000 -0.189) 1.119 11.234 ( 0.228 0.000 0.251) 0.339 11.241 ( -0.001 0.000 0.335) 0.335 11.465 ( 1.311 0.000 0.423) 1.377 11.469 ( 1.312 0.000 0.308) 1.348 12.360 ( -0.639 0.000 2.092) 2.188 12.444 ( -4.368 0.000 2.551) 5.058 12.497 ( -1.457 0.000 -0.667) 1.603 12.519 ( -1.380 0.000 -0.182) 1.392======================= Grid point 77 (27/72) =======================q-point: ( 0.40 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.819 ( 11.978 0.000 3.511) 12.482 0.890 ( 20.340 0.000 -4.600) 20.854 1.019 ( -5.899 0.000 -4.042) 7.151 1.295 ( -15.314 0.000 -12.281) 19.630 1.447 ( 2.571 0.000 2.155) 3.355 1.476 ( 13.129 0.000 1.985) 13.279 1.535 ( -4.833 0.000 -1.271) 4.998 1.669 ( 3.824 0.000 9.516) 10.256 1.758 ( 7.714 0.000 0.841) 7.760 2.067 ( -9.788 0.000 1.854) 9.962 2.540 ( 2.358 0.000 -1.734) 2.927 2.590 ( -1.033 0.000 -1.820) 2.093 3.003 ( -0.770 0.000 7.944) 7.981 3.054 ( -4.520 0.000 4.860) 6.637 3.198 ( 2.243 0.000 0.544) 2.308 3.227 ( 2.514 0.000 -0.526) 2.569 3.240 ( -1.511 0.000 0.671) 1.653 3.276 ( -1.891 0.000 -0.656) 2.002 3.446 ( 4.690 0.000 -5.196) 7.000 3.548 ( -4.959 0.000 -7.899) 9.327 4.546 ( 2.989 0.000 0.827) 3.101 4.589 ( -0.854 0.000 -0.730) 1.124 5.166 ( 0.278 0.000 5.516) 5.523 5.198 ( -2.490 0.000 4.338) 5.001 5.563 ( 4.303 0.000 -2.930) 5.205 5.651 ( -3.778 0.000 -5.223) 6.446 5.805 ( 3.315 0.000 0.167) 3.319 5.817 ( 2.273 0.000 -0.252) 2.287 7.130 ( 0.991 0.000 0.800) 1.274 7.149 ( -0.697 0.000 0.291) 0.755 7.193 ( 0.508 0.000 0.474) 0.695 7.225 ( -2.123 0.000 -0.453) 2.171 7.557 ( 3.224 0.000 0.892) 3.345 7.603 ( 3.131 0.000 -0.926) 3.265 7.639 ( -3.378 0.000 1.275) 3.611 7.698 ( -4.649 0.000 -0.872) 4.730 7.964 ( 0.568 0.000 0.149) 0.587 7.972 ( -0.104 0.000 -0.116) 0.156 8.045 ( 0.381 0.000 0.073) 0.388 8.049 ( 0.002 0.000 -0.090) 0.090 8.440 ( 1.829 0.000 1.671) 2.477 8.498 ( -3.334 0.000 -0.564) 3.381 8.536 ( 0.227 0.000 0.080) 0.241 8.540 ( -0.060 0.000 -0.066) 0.089 8.541 ( 0.217 0.000 0.155) 0.267 8.547 ( 0.129 0.000 0.099) 0.162 8.552 ( -0.755 0.000 -0.375) 0.843 8.553 ( -0.339 0.000 -0.116) 0.358 10.598 ( 0.963 0.000 -0.142) 0.974 10.614 ( -0.473 0.000 -0.507) 0.694 10.755 ( -0.490 0.000 -0.568) 0.750 10.756 ( -0.587 0.000 -0.578) 0.824 11.241 ( 0.302 0.000 0.347) 0.460 11.244 ( 0.077 0.000 0.373) 0.381 11.490 ( 0.816 0.000 0.204) 0.841 11.493 ( 0.612 0.000 0.191) 0.641 12.357 ( 0.476 0.000 1.505) 1.578 12.382 ( -1.880 0.000 1.701) 2.536 12.480 ( -0.109 0.000 -1.071) 1.076 12.492 ( -1.038 0.000 -0.997) 1.439======================= Grid point 80 (28/72) =======================q-point: ( 0.00 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.657 ( 0.000 12.646 16.909) 21.115 0.679 ( 0.000 15.867 13.518) 20.845 1.046 ( 0.000 10.705 5.718) 12.136 1.173 ( 0.000 34.345 14.491) 37.277 1.292 ( 0.000 17.598 -8.300) 19.457 1.564 ( 0.000 6.548 3.414) 7.384 1.790 ( 0.000 8.911 -6.980) 11.319 1.844 ( 0.000 9.373 -6.361) 11.328 2.103 ( 0.000 10.385 -9.172) 13.855 2.130 ( 0.000 14.145 -7.958) 16.230 2.515 ( 0.000 0.841 2.067) 2.232 2.579 ( 0.000 -0.920 3.242) 3.370 3.075 ( 0.000 -2.368 5.762) 6.230 3.201 ( 0.000 -2.094 1.127) 2.378 3.202 ( 0.000 -1.314 -1.413) 1.930 3.239 ( 0.000 3.144 0.080) 3.145 3.305 ( 0.000 13.710 2.230) 13.890 3.457 ( 0.000 10.659 -0.860) 10.693 3.541 ( 0.000 13.838 0.236) 13.840 3.770 ( 0.000 8.803 -9.641) 13.055 5.183 ( 0.000 1.265 9.284) 9.370 5.213 ( 0.000 9.890 4.758) 10.975 5.338 ( 0.000 46.792 10.676) 47.995 5.348 ( 0.000 -3.482 -2.327) 4.188 5.708 ( 0.000 -1.594 -8.725) 8.870 5.984 ( 0.000 32.720 -6.215) 33.305 6.125 ( 0.000 34.809 1.441) 34.839 6.583 ( 0.000 45.949 -29.580) 54.647 7.110 ( 0.000 0.345 1.279) 1.325 7.172 ( 0.000 -0.405 -0.140) 0.428 7.195 ( 0.000 -1.112 1.120) 1.579 7.272 ( 0.000 -1.259 -1.126) 1.689 7.479 ( 0.000 -0.416 0.249) 0.485 7.482 ( 0.000 0.367 0.008) 0.367 7.729 ( 0.000 -3.057 2.345) 3.852 7.812 ( 0.000 -1.478 -1.250) 1.936 7.964 ( 0.000 1.444 0.386) 1.495 7.986 ( 0.000 0.787 -0.416) 0.890 8.119 ( 0.000 6.289 0.574) 6.315 8.226 ( 0.000 11.305 -6.371) 12.976 8.497 ( 0.000 0.163 0.790) 0.807 8.500 ( 0.000 1.510 1.939) 2.458 8.551 ( 0.000 1.570 -0.384) 1.616 8.577 ( 0.000 3.338 -0.946) 3.469 8.623 ( 0.000 5.178 -0.072) 5.179 8.624 ( 0.000 5.080 0.835) 5.148 8.692 ( 0.000 7.430 -0.478) 7.445 8.702 ( 0.000 7.475 -0.003) 7.475 10.445 ( 0.000 -0.387 2.553) 2.582 10.602 ( 0.000 -0.940 -3.384) 3.512 10.764 ( 0.000 -1.680 0.500) 1.753 10.776 ( 0.000 -1.343 -0.106) 1.347 11.204 ( 0.000 -2.859 0.202) 2.866 11.205 ( 0.000 -2.471 -0.042) 2.471 11.421 ( 0.000 -2.302 0.632) 2.387 11.435 ( 0.000 -1.742 0.220) 1.756 12.343 ( 0.000 -2.488 1.946) 3.159 12.421 ( 0.000 -5.698 3.675) 6.781 12.454 ( 0.000 -4.264 -1.660) 4.576 12.496 ( 0.000 -3.020 -0.802) 3.125======================= Grid point 81 (29/72) =======================q-point: ( 0.20 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.665 ( 8.261 14.442 10.752) 19.810 0.912 ( 12.188 16.844 10.216) 23.165 1.160 ( 8.592 3.452 4.406) 10.255 1.244 ( 3.742 19.908 -3.134) 20.498 1.404 ( 11.204 21.297 7.115) 25.094 1.553 ( -1.005 7.486 2.290) 7.893 1.734 ( -5.087 11.181 -10.677) 16.275 1.807 ( -2.831 8.401 -3.988) 9.721 1.983 ( -5.816 15.967 -2.496) 17.176 2.212 ( 2.466 10.417 -7.662) 13.164 2.523 ( 0.402 0.920 1.801) 2.062 2.583 ( 0.699 0.117 1.731) 1.870 3.036 ( -3.220 -1.898 6.457) 7.461 3.119 ( -4.275 -1.882 2.405) 5.254 3.234 ( 0.273 2.409 -0.842) 2.567 3.261 ( 1.110 -2.625 -2.301) 3.663 3.328 ( 1.965 13.472 1.812) 13.734 3.448 ( -0.854 11.277 -0.761) 11.334 3.554 ( 1.500 14.897 -0.052) 14.972 3.743 ( -2.359 10.214 -8.335) 13.393 5.161 ( -1.561 -1.035 7.324) 7.560 5.200 ( -1.243 4.924 3.867) 6.383 5.293 ( -0.640 40.301 4.952) 40.609 5.437 ( 4.892 10.493 2.191) 11.783 5.674 ( -3.274 -0.569 -7.829) 8.505 5.967 ( -6.779 44.675 -12.999) 47.020 6.146 ( 1.734 32.703 0.279) 32.750 6.237 ( -17.882 50.657 -7.061) 54.183 7.113 ( 0.306 0.159 1.124) 1.175 7.156 ( -0.644 -0.310 -0.069) 0.718 7.186 ( -0.556 -1.160 1.313) 1.838 7.257 ( -1.524 -1.008 -1.053) 2.109 7.495 ( 1.574 -0.543 0.529) 1.747 7.525 ( 2.870 -0.350 -0.840) 3.011 7.691 ( -3.073 -2.497 2.094) 4.479 7.774 ( -3.345 -1.311 -1.150) 3.772 7.989 ( 1.757 1.813 0.001) 2.525 7.998 ( 0.986 1.455 -0.342) 1.791 8.117 ( -0.147 5.787 0.407) 5.804 8.178 ( -3.293 10.282 -3.000) 11.205 8.477 ( -0.668 3.825 2.717) 4.739 8.501 ( 0.206 0.593 0.769) 0.993 8.541 ( -0.832 1.469 -0.288) 1.713 8.565 ( -1.071 3.207 -0.967) 3.517 8.622 ( -0.224 6.594 1.284) 6.722 8.626 ( 0.183 5.302 0.048) 5.306 8.639 ( -1.096 6.420 -0.045) 6.513 8.692 ( -1.967 8.616 -0.835) 8.877 10.515 ( 4.049 -2.641 0.700) 4.885 10.604 ( 0.073 -1.077 -2.297) 2.538 10.752 ( -0.849 -1.663 0.213) 1.879 10.762 ( -1.099 -1.328 -0.220) 1.738 11.206 ( 0.279 -2.583 0.171) 2.604 11.210 ( 0.284 -2.622 0.156) 2.642 11.439 ( 1.367 -2.387 0.449) 2.787 11.447 ( 0.991 -1.964 0.226) 2.211 12.336 ( -0.412 -2.204 1.659) 2.789 12.392 ( -1.959 -3.638 2.426) 4.791 12.450 ( -0.381 -3.886 -1.059) 4.046 12.485 ( -0.951 -2.780 -1.041) 3.117======================= Grid point 82 (30/72) =======================q-point: ( 0.40 0.07 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.926 ( 13.470 8.778 1.865) 16.186 1.126 ( 0.988 9.050 3.192) 9.647 1.214 ( 4.240 19.346 0.473) 19.811 1.391 ( 0.860 3.675 7.674) 8.552 1.474 ( -0.935 11.435 -13.456) 17.683 1.577 ( -1.392 8.784 -0.922) 8.942 1.681 ( 2.837 13.808 -4.497) 14.797 1.772 ( -2.478 5.386 -3.172) 6.724 1.950 ( 7.637 20.708 7.544) 23.325 2.170 ( -7.586 11.963 2.427) 14.372 2.547 ( 2.491 1.632 -1.429) 3.303 2.594 ( -0.691 1.146 -1.538) 2.039 2.981 ( -0.641 -1.146 6.696) 6.824 3.026 ( -4.070 -1.676 4.690) 6.432 3.241 ( 0.587 0.027 -1.877) 1.966 3.259 ( -0.892 -1.947 -2.885) 3.593 3.377 ( 2.354 13.217 0.907) 13.455 3.421 ( -1.668 12.531 -0.196) 12.643 3.608 ( 3.280 14.432 -2.038) 14.940 3.680 ( -3.296 12.732 -5.199) 14.142 5.141 ( 0.041 -1.552 4.777) 5.023 5.164 ( -1.775 -1.334 3.169) 3.869 5.337 ( 5.252 50.292 1.402) 50.585 5.523 ( -8.400 30.746 -5.153) 32.287 5.551 ( 2.355 13.789 -1.087) 14.031 5.675 ( -8.835 30.129 -3.894) 31.638 6.166 ( 1.888 29.375 0.083) 29.436 6.181 ( 0.782 29.586 -0.623) 29.603 7.125 ( 0.840 -0.282 0.945) 1.296 7.144 ( -0.769 -0.419 0.669) 1.102 7.183 ( 0.691 -0.750 0.174) 1.035 7.216 ( -2.049 -0.756 -0.578) 2.259 7.543 ( 2.845 -1.196 0.986) 3.240 7.591 ( 2.728 -0.666 -0.798) 2.919 7.618 ( -2.634 -1.726 1.350) 3.426 7.686 ( -4.500 -0.866 -0.996) 4.690 8.018 ( 0.753 2.652 -0.283) 2.771 8.019 ( 0.703 2.834 -0.301) 2.936 8.116 ( 0.087 5.390 0.214) 5.395 8.128 ( -1.272 6.937 -0.274) 7.058 8.488 ( 1.361 4.356 0.990) 4.670 8.510 ( 0.628 1.004 0.144) 1.193 8.519 ( -1.156 1.820 0.003) 2.157 8.535 ( -1.566 3.205 -0.729) 3.641 8.624 ( 0.575 7.851 0.572) 7.893 8.630 ( 0.155 5.402 0.021) 5.404 8.633 ( -0.052 5.361 -0.059) 5.361 8.649 ( -1.688 8.797 -0.251) 8.961 10.574 ( 1.697 -2.026 0.178) 2.649 10.599 ( -0.677 -1.349 -0.616) 1.630 10.737 ( -0.357 -1.587 -0.382) 1.671 10.741 ( -0.678 -1.398 -0.461) 1.620 11.213 ( 0.290 -2.572 0.243) 2.600 11.215 ( 0.113 -2.594 0.249) 2.608 11.465 ( 0.762 -2.366 0.197) 2.494 11.466 ( 0.586 -2.335 0.172) 2.413 12.334 ( 0.372 -2.110 1.368) 2.542 12.354 ( -1.441 -2.497 1.561) 3.278 12.447 ( 0.264 -2.975 -1.055) 3.168 12.462 ( -1.021 -2.649 -1.191) 3.079======================= Grid point 85 (31/72) =======================q-point: ( 0.00 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.994 ( 0.000 20.155 12.185) 23.552 1.074 ( 0.000 20.893 6.256) 21.810 1.230 ( 0.000 11.045 6.176) 12.654 1.572 ( 0.000 8.668 -5.158) 10.086 1.723 ( 0.000 12.016 -1.538) 12.114 1.912 ( 0.000 15.786 -7.533) 17.491 2.042 ( 0.000 31.336 -0.230) 31.337 2.196 ( 0.000 20.552 -2.216) 20.671 2.401 ( 0.000 14.427 0.540) 14.437 2.544 ( 0.000 23.064 -4.608) 23.519 2.573 ( 0.000 5.852 1.437) 6.025 2.620 ( 0.000 6.562 2.201) 6.921 3.028 ( 0.000 -2.135 4.501) 4.981 3.148 ( 0.000 -2.781 1.358) 3.094 3.178 ( 0.000 -0.113 -1.583) 1.587 3.234 ( 0.000 -3.372 -1.021) 3.523 3.636 ( 0.000 17.024 1.556) 17.095 3.727 ( 0.000 14.446 -1.155) 14.493 3.858 ( 0.000 16.004 1.037) 16.038 4.041 ( 0.000 15.688 -7.539) 17.405 5.154 ( 0.000 -1.879 8.793) 8.991 5.171 ( 0.000 -3.615 4.586) 5.840 5.295 ( 0.000 -2.008 -2.431) 3.153 5.644 ( 0.000 -4.198 -7.871) 8.921 6.438 ( 0.000 41.944 6.107) 42.386 6.689 ( 0.000 30.104 -3.252) 30.279 6.812 ( 0.000 26.683 3.666) 26.934 7.120 ( 0.000 11.476 -6.657) 13.267 7.147 ( 0.000 -2.022 2.006) 2.848 7.147 ( 0.000 4.867 1.423) 5.071 7.235 ( 0.000 -2.233 -1.104) 2.491 7.261 ( 0.000 12.074 -3.679) 12.622 7.479 ( 0.000 1.052 1.114) 1.532 7.526 ( 0.000 5.109 -0.638) 5.149 7.658 ( 0.000 -3.545 2.983) 4.633 7.777 ( 0.000 -1.542 -1.784) 2.358 7.987 ( 0.000 0.572 0.099) 0.581 7.991 ( 0.000 -0.102 -0.096) 0.140 8.206 ( 0.000 1.630 1.958) 2.548 8.377 ( 0.000 3.229 -5.081) 6.020 8.606 ( 0.000 10.655 0.499) 10.666 8.617 ( 0.000 10.768 0.327) 10.773 8.665 ( 0.000 8.840 0.373) 8.848 8.695 ( 0.000 7.748 -0.490) 7.764 8.757 ( 0.000 7.760 -0.266) 7.764 8.776 ( 0.000 9.124 -0.797) 9.158 8.873 ( 0.000 10.671 1.537) 10.781 8.908 ( 0.000 12.596 -0.008) 12.596 10.435 ( 0.000 -0.466 2.299) 2.346 10.577 ( 0.000 -1.385 -3.145) 3.436 10.716 ( 0.000 -2.780 0.764) 2.883 10.739 ( 0.000 -2.189 -0.251) 2.203 11.134 ( 0.000 -3.856 0.060) 3.857 11.141 ( 0.000 -3.564 -0.237) 3.572 11.357 ( 0.000 -3.759 0.844) 3.853 11.386 ( 0.000 -2.883 -0.171) 2.888 12.279 ( 0.000 -3.557 0.771) 3.640 12.333 ( 0.000 -3.662 2.595) 4.489 12.354 ( 0.000 -4.837 -1.571) 5.086 12.425 ( 0.000 -3.892 -1.261) 4.091======================= Grid point 86 (32/72) =======================q-point: ( 0.20 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( 4.802 20.199 8.964) 22.615 1.204 ( 8.562 14.929 8.332) 19.121 1.285 ( 5.438 9.537 5.298) 12.189 1.569 ( -0.129 10.887 -4.726) 11.869 1.708 ( -1.595 10.431 -2.740) 10.902 1.891 ( -2.314 11.009 -8.075) 13.848 2.082 ( 2.527 30.135 0.557) 30.246 2.146 ( -3.775 21.055 -4.752) 21.913 2.370 ( -1.328 17.858 2.990) 18.156 2.561 ( 0.418 19.885 -1.833) 19.974 2.591 ( 2.018 7.378 0.177) 7.651 2.641 ( 1.716 7.236 0.718) 7.471 3.005 ( -1.882 -1.047 5.011) 5.454 3.086 ( -3.922 -1.245 2.827) 4.992 3.207 ( 1.042 -1.408 -2.672) 3.195 3.230 ( -0.381 -2.317 -1.689) 2.892 3.654 ( 1.546 16.739 1.355) 16.865 3.728 ( 0.019 14.744 -0.903) 14.771 3.881 ( 2.049 16.181 0.689) 16.325 4.031 ( -0.936 16.018 -6.204) 17.203 5.127 ( -1.803 -1.935 7.420) 7.877 5.152 ( -1.455 -3.106 2.678) 4.351 5.345 ( 3.900 -2.388 -0.736) 4.632 5.615 ( -2.623 -4.020 -6.849) 8.364 6.467 ( 2.787 42.951 5.413) 43.381 6.714 ( 2.015 29.485 -3.443) 29.754 6.812 ( 0.004 26.749 2.233) 26.842 7.028 ( -8.900 21.846 -6.264) 24.407 7.139 ( -0.497 0.320 1.290) 1.420 7.151 ( -0.427 3.297 1.865) 3.811 7.190 ( -1.267 3.157 -0.455) 3.432 7.249 ( -1.303 3.807 -1.832) 4.421 7.489 ( 0.932 0.578 1.505) 1.862 7.556 ( 2.280 4.456 -1.155) 5.136 7.629 ( -2.414 -3.117 2.756) 4.810 7.748 ( -2.515 -0.717 -1.767) 3.157 8.009 ( 1.545 -0.009 -0.119) 1.550 8.010 ( 1.719 0.024 -0.119) 1.724 8.204 ( -0.067 2.104 1.642) 2.670 8.331 ( -3.727 4.163 -3.441) 6.562 8.597 ( -0.396 10.095 0.617) 10.122 8.625 ( 0.207 10.448 -0.444) 10.459 8.658 ( -0.551 9.246 0.541) 9.278 8.686 ( -0.834 8.099 -0.530) 8.159 8.760 ( 0.196 7.703 -0.222) 7.709 8.770 ( -0.449 8.153 -0.582) 8.186 8.840 ( -0.920 12.465 2.371) 12.722 8.911 ( -0.758 12.612 -0.738) 12.656 10.473 ( 2.818 -1.524 1.582) 3.573 10.576 ( -0.188 -1.544 -2.326) 2.799 10.707 ( -0.704 -2.604 0.486) 2.741 10.726 ( -1.041 -2.099 -0.310) 2.363 11.137 ( 0.286 -3.884 0.089) 3.895 11.143 ( 0.180 -3.670 -0.089) 3.675 11.373 ( 1.297 -3.816 0.601) 4.075 11.393 ( 0.625 -3.070 -0.098) 3.134 12.276 ( -0.144 -3.414 0.819) 3.514 12.316 ( -1.194 -3.596 1.727) 4.164 12.360 ( 0.369 -4.495 -0.893) 4.597 12.415 ( -0.866 -3.886 -1.279) 4.181======================= Grid point 87 (33/72) =======================q-point: ( 0.40 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( 7.455 14.854 6.432) 17.821 1.284 ( -1.208 9.176 7.552) 11.945 1.484 ( 9.709 8.879 3.332) 13.572 1.575 ( 0.398 14.826 -0.087) 14.831 1.664 ( -0.447 7.602 -6.379) 9.934 1.790 ( -7.689 8.496 -1.451) 11.550 2.068 ( -0.160 20.649 -8.194) 22.216 2.107 ( -2.184 22.465 -7.594) 23.814 2.416 ( 5.381 22.534 6.711) 24.120 2.527 ( -3.785 18.665 3.968) 19.454 2.648 ( 2.578 9.460 -1.917) 9.991 2.672 ( 0.568 7.835 -1.245) 7.954 2.972 ( -0.420 0.555 5.546) 5.590 3.004 ( -3.217 -0.157 4.648) 5.655 3.216 ( 0.050 -1.091 -3.391) 3.563 3.220 ( -0.407 -1.115 -2.957) 3.187 3.692 ( 1.780 16.070 0.695) 16.183 3.721 ( -0.814 15.354 -0.235) 15.377 3.938 ( 3.013 16.439 -0.576) 16.723 3.997 ( -2.304 16.445 -3.172) 16.906 5.103 ( -0.188 -2.051 4.561) 5.005 5.118 ( -1.456 -2.474 2.918) 4.093 5.440 ( 4.718 -2.930 -1.708) 5.811 5.539 ( -4.302 -3.533 -4.378) 7.082 6.565 ( 6.621 43.675 2.401) 44.239 6.725 ( -4.673 35.153 -3.816) 35.667 6.807 ( -0.463 26.983 0.289) 26.989 6.832 ( -4.390 29.788 -0.632) 30.116 7.133 ( 0.003 1.245 1.301) 1.801 7.139 ( -0.482 0.811 1.726) 1.968 7.189 ( 0.667 3.369 -0.874) 3.544 7.215 ( -1.622 2.806 -1.157) 3.442 7.519 ( 1.901 -0.609 1.996) 2.823 7.569 ( -2.723 -1.914 2.340) 4.069 7.613 ( 2.934 3.133 -1.543) 4.561 7.682 ( -3.386 1.278 -1.742) 4.016 8.041 ( 1.087 -0.248 -0.248) 1.142 8.043 ( 0.933 -0.285 -0.301) 1.021 8.210 ( 0.898 3.216 0.852) 3.447 8.252 ( -3.056 4.389 -0.705) 5.395 8.596 ( 0.346 9.272 0.268) 9.282 8.612 ( -1.091 9.303 -0.389) 9.375 8.655 ( 0.426 9.484 0.190) 9.495 8.668 ( -0.715 8.660 -0.319) 8.695 8.763 ( 0.134 7.509 -0.045) 7.510 8.765 ( -0.049 7.556 -0.037) 7.556 8.847 ( 1.213 13.299 0.887) 13.384 8.881 ( -1.739 13.387 -0.393) 13.505 10.529 ( 2.209 -2.101 0.501) 3.090 10.564 ( -1.054 -1.846 -0.746) 2.253 10.696 ( -0.141 -2.302 -0.105) 2.308 10.704 ( -0.815 -2.080 -0.371) 2.264 11.144 ( 0.262 -3.922 0.126) 3.933 11.146 ( 0.047 -3.853 0.089) 3.854 11.399 ( 0.858 -3.776 0.239) 3.879 11.405 ( 0.275 -3.476 0.038) 3.488 12.277 ( 0.303 -3.251 1.051) 3.430 12.291 ( -1.018 -3.309 1.355) 3.718 12.371 ( 0.751 -4.128 -0.998) 4.313 12.392 ( -1.136 -3.928 -1.227) 4.269======================= Grid point 90 (34/72) =======================q-point: ( 0.00 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 0.000 24.319 7.137) 25.344 1.500 ( 0.000 19.902 2.955) 20.120 1.503 ( 0.000 14.994 4.287) 15.595 1.754 ( 0.000 10.485 -3.040) 10.917 2.039 ( 0.000 17.206 -3.893) 17.641 2.111 ( 0.000 8.681 -10.087) 13.308 2.520 ( 0.000 9.991 -0.141) 9.992 2.560 ( 0.000 5.194 2.488) 5.759 2.745 ( 0.000 25.239 2.275) 25.341 2.778 ( 0.000 13.528 0.577) 13.540 2.880 ( 0.000 16.380 0.765) 16.398 2.941 ( 0.000 10.092 -0.273) 10.096 3.000 ( 0.000 0.620 2.608) 2.681 3.110 ( 0.000 0.645 3.089) 3.156 3.124 ( 0.000 -5.349 -0.968) 5.436 3.295 ( 0.000 14.338 -4.170) 14.932 3.969 ( 0.000 14.748 0.772) 14.768 4.014 ( 0.000 12.876 -0.668) 12.893 4.167 ( 0.000 13.421 1.418) 13.496 4.351 ( 0.000 13.186 -7.110) 14.981 5.083 ( 0.000 -4.826 7.404) 8.838 5.118 ( 0.000 -1.313 6.115) 6.255 5.260 ( 0.000 -1.417 -2.916) 3.242 5.538 ( 0.000 -6.040 -6.905) 9.173 6.900 ( 0.000 6.512 1.369) 6.654 6.979 ( 0.000 2.353 -1.689) 2.897 7.096 ( 0.000 -2.448 1.541) 2.893 7.119 ( 0.000 3.843 1.473) 4.115 7.196 ( 0.000 0.270 0.415) 0.495 7.341 ( 0.000 5.185 -4.994) 7.199 7.365 ( 0.000 10.299 1.829) 10.460 7.462 ( 0.000 1.931 -1.415) 2.394 7.621 ( 0.000 13.462 3.643) 13.947 7.635 ( 0.000 4.930 2.983) 5.763 7.724 ( 0.000 12.010 -0.948) 12.047 7.784 ( 0.000 3.551 -2.365) 4.266 7.990 ( 0.000 0.028 -0.461) 0.462 7.993 ( 0.000 0.620 -0.428) 0.753 8.256 ( 0.000 4.947 3.205) 5.894 8.438 ( 0.000 3.616 -3.486) 5.023 8.868 ( 0.000 10.373 -0.195) 10.374 8.870 ( 0.000 10.425 -0.175) 10.427 8.884 ( 0.000 12.831 0.603) 12.845 8.898 ( 0.000 15.297 0.661) 15.311 8.937 ( 0.000 9.526 -0.197) 9.528 9.004 ( 0.000 14.010 -3.028) 14.333 9.159 ( 0.000 17.639 2.829) 17.865 9.224 ( 0.000 17.918 -0.400) 17.923 10.427 ( 0.000 -0.358 1.917) 1.951 10.546 ( 0.000 -1.610 -2.781) 3.213 10.655 ( 0.000 -3.061 1.144) 3.267 10.690 ( 0.000 -2.395 -0.450) 2.437 11.052 ( 0.000 -3.957 0.154) 3.960 11.068 ( 0.000 -3.329 -0.499) 3.366 11.273 ( 0.000 -4.246 1.157) 4.401 11.321 ( 0.000 -3.264 -0.629) 3.324 12.202 ( 0.000 -3.664 0.416) 3.688 12.262 ( 0.000 -3.171 2.175) 3.845 12.264 ( 0.000 -3.881 -1.581) 4.190 12.341 ( 0.000 -4.099 -0.969) 4.212======================= Grid point 91 (35/72) =======================q-point: ( 0.20 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.476 ( 1.578 22.337 6.281) 23.257 1.511 ( 1.083 14.883 5.777) 16.001 1.569 ( 5.332 16.552 2.495) 17.568 1.784 ( 2.788 11.719 -3.003) 12.415 2.000 ( -3.655 15.622 -4.502) 16.663 2.086 ( -2.482 9.975 -6.466) 12.144 2.434 ( -4.903 8.668 0.255) 9.962 2.533 ( -3.633 8.362 -3.078) 9.622 2.768 ( 1.773 16.849 1.643) 17.021 2.813 ( 2.451 15.342 0.902) 15.562 2.877 ( 0.384 15.514 1.379) 15.580 2.934 ( -0.708 9.486 0.104) 9.513 3.009 ( 0.961 2.698 3.696) 4.676 3.087 ( -1.728 2.905 3.565) 4.913 3.175 ( 3.542 -0.940 -1.543) 3.976 3.291 ( -0.382 12.551 -4.011) 13.182 3.981 ( 0.991 14.425 0.598) 14.472 4.019 ( 0.314 12.944 -0.630) 12.964 4.192 ( 2.203 13.453 1.086) 13.676 4.344 ( -0.770 13.217 -5.822) 14.463 5.069 ( -1.036 -3.936 7.065) 8.154 5.098 ( -1.456 -1.615 4.033) 4.582 5.298 ( 3.073 -2.084 -1.808) 4.130 5.515 ( -2.096 -5.631 -6.146) 8.595 6.925 ( 2.206 5.680 1.220) 6.214 6.992 ( 1.155 2.144 -1.459) 2.839 7.084 ( -0.855 -0.720 1.625) 1.972 7.134 ( 0.326 0.308 -0.085) 0.457 7.178 ( -0.919 3.084 1.366) 3.496 7.310 ( -2.225 6.547 -2.492) 7.351 7.380 ( 0.811 8.268 -0.598) 8.329 7.450 ( -1.023 2.781 -1.514) 3.327 7.613 ( -0.714 13.020 3.663) 13.545 7.623 ( -1.004 5.889 3.100) 6.730 7.738 ( 1.150 11.413 -1.059) 11.519 7.786 ( 0.138 5.588 -2.340) 6.060 8.002 ( 0.988 -0.332 -0.344) 1.097 8.006 ( 1.056 -0.036 -0.329) 1.106 8.264 ( 0.706 5.191 2.617) 5.856 8.408 ( -2.558 4.245 -2.754) 5.670 8.869 ( 0.030 10.444 -0.104) 10.444 8.871 ( 0.072 11.281 -0.265) 11.284 8.880 ( -0.374 14.815 0.594) 14.831 8.892 ( -0.327 13.145 0.543) 13.161 8.938 ( 0.068 9.444 -0.178) 9.446 8.980 ( -1.988 13.871 -2.092) 14.168 9.157 ( 0.230 18.552 2.270) 18.692 9.223 ( -0.369 17.727 -0.639) 17.742 10.448 ( 1.801 -0.891 1.496) 2.505 10.543 ( -0.359 -1.631 -2.173) 2.741 10.649 ( -0.365 -2.858 0.838) 3.001 10.680 ( -0.870 -2.245 -0.454) 2.450 11.054 ( 0.238 -3.981 0.183) 3.992 11.068 ( -0.015 -3.444 -0.330) 3.460 11.288 ( 1.236 -4.320 0.871) 4.577 11.325 ( 0.288 -3.461 -0.483) 3.506 12.203 ( 0.085 -3.513 0.509) 3.551 12.246 ( -0.974 -3.166 0.961) 3.449 12.273 ( 0.437 -3.854 -0.461) 3.906 12.331 ( -0.860 -4.084 -0.986) 4.288======================= Grid point 92 (36/72) =======================q-point: ( 0.40 0.21 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( 1.623 17.397 6.429) 18.617 1.530 ( 0.332 14.358 6.644) 15.824 1.714 ( 7.772 12.378 0.225) 14.617 1.858 ( 0.214 11.096 -5.691) 12.472 1.897 ( -2.004 15.474 0.727) 15.620 1.998 ( -5.529 12.791 -0.655) 13.950 2.378 ( 0.225 9.543 -5.003) 10.778 2.435 ( -4.499 9.129 -6.127) 11.879 2.813 ( 2.228 10.343 0.977) 10.626 2.845 ( -0.120 12.406 0.248) 12.409 2.897 ( 1.045 13.396 1.004) 13.475 2.915 ( -0.830 10.380 1.019) 10.463 3.032 ( 0.978 6.895 4.806) 8.461 3.053 ( -1.199 7.127 4.598) 8.566 3.241 ( 2.353 4.683 -2.513) 5.812 3.276 ( -1.066 9.133 -3.403) 9.804 4.005 ( 1.077 13.744 0.114) 13.787 4.020 ( -0.299 13.192 -0.406) 13.202 4.252 ( 3.135 13.453 -0.177) 13.814 4.312 ( -2.256 13.331 -2.817) 13.811 5.055 ( -0.076 -2.701 5.086) 5.759 5.068 ( -1.200 -2.159 3.619) 4.382 5.374 ( 3.819 -3.285 -2.344) 5.556 5.454 ( -3.458 -4.582 -4.285) 7.163 6.986 ( 3.072 3.341 0.688) 4.591 7.018 ( 0.749 1.769 -0.776) 2.072 7.065 ( -0.536 0.224 1.213) 1.345 7.095 ( -2.817 0.005 -0.070) 2.818 7.201 ( 2.304 5.293 0.452) 5.790 7.256 ( -2.698 5.917 -1.194) 6.612 7.398 ( 0.998 6.782 -1.414) 6.999 7.423 ( -1.294 4.705 -1.660) 5.155 7.598 ( -0.421 11.676 3.676) 12.248 7.602 ( -0.755 8.965 3.437) 9.631 7.765 ( 1.219 10.224 -1.513) 10.407 7.784 ( -0.477 8.503 -2.072) 8.764 8.024 ( 0.751 -1.014 -0.146) 1.270 8.026 ( 0.562 -0.904 -0.166) 1.077 8.290 ( 1.870 5.611 1.077) 6.012 8.344 ( -3.061 5.338 -0.945) 6.225 8.870 ( 0.068 10.822 -0.015) 10.822 8.871 ( -0.007 12.397 -0.076) 12.397 8.874 ( -0.020 15.448 0.294) 15.451 8.884 ( -0.659 14.438 0.067) 14.453 8.938 ( -0.032 9.467 -0.058) 9.467 8.944 ( -0.902 11.413 -0.350) 11.454 9.175 ( 1.323 18.663 0.671) 18.722 9.205 ( -1.269 18.167 -0.430) 18.216 10.492 ( 1.999 -1.547 0.539) 2.585 10.527 ( -1.226 -1.686 -0.760) 2.219 10.647 ( 0.216 -2.419 0.114) 2.431 10.659 ( -0.905 -2.141 -0.351) 2.351 11.061 ( 0.320 -3.939 0.146) 3.955 11.066 ( -0.167 -3.716 -0.040) 3.720 11.315 ( 1.053 -4.276 0.343) 4.417 11.328 ( -0.146 -3.912 -0.125) 3.916 12.208 ( 0.490 -3.220 0.771) 3.347 12.224 ( -0.973 -3.064 1.005) 3.368 12.286 ( 0.838 -3.981 -0.803) 4.147 12.308 ( -1.165 -4.044 -0.970) 4.319======================= Grid point 95 (37/72) =======================q-point: ( 0.00 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.810 ( 0.000 13.791 2.730) 14.059 1.869 ( 0.000 15.208 1.157) 15.252 1.966 ( 0.000 23.682 2.130) 23.777 1.994 ( 0.000 11.680 -1.456) 11.770 2.262 ( 0.000 5.239 -3.806) 6.475 2.393 ( 0.000 16.324 -4.893) 17.042 2.617 ( 0.000 1.855 4.095) 4.495 2.677 ( 0.000 5.839 -1.367) 5.997 2.925 ( 0.000 -0.616 1.404) 1.533 2.962 ( 0.000 3.777 -1.555) 4.085 3.016 ( 0.000 1.263 1.371) 1.864 3.064 ( 0.000 2.111 0.129) 2.115 3.122 ( 0.000 9.107 0.358) 9.114 3.147 ( 0.000 9.217 0.177) 9.218 3.423 ( 0.000 22.578 5.152) 23.158 3.684 ( 0.000 19.149 -4.801) 19.741 4.225 ( 0.000 9.726 -0.015) 9.726 4.243 ( 0.000 9.172 -0.567) 9.190 4.395 ( 0.000 8.604 1.358) 8.711 4.542 ( 0.000 4.802 -5.603) 7.379 4.972 ( 0.000 -5.816 7.611) 9.579 5.122 ( 0.000 2.112 4.906) 5.341 5.236 ( 0.000 -0.979 -3.651) 3.780 5.399 ( 0.000 -7.128 -5.150) 8.793 6.949 ( 0.000 0.396 0.558) 0.685 6.984 ( 0.000 -0.634 -0.838) 1.051 7.051 ( 0.000 -1.836 1.137) 2.160 7.097 ( 0.000 -2.497 -0.683) 2.589 7.236 ( 0.000 1.793 2.157) 2.805 7.349 ( 0.000 -2.361 -2.011) 3.101 7.431 ( 0.000 -1.909 0.094) 1.911 7.431 ( 0.000 -1.466 0.107) 1.470 7.730 ( 0.000 3.980 1.909) 4.414 7.848 ( 0.000 3.215 -2.624) 4.150 7.879 ( 0.000 7.787 2.224) 8.098 7.947 ( 0.000 6.537 1.157) 6.639 8.003 ( 0.000 1.729 -1.453) 2.258 8.035 ( 0.000 3.662 -1.331) 3.896 8.394 ( 0.000 6.248 2.360) 6.679 8.508 ( 0.000 2.237 -1.859) 2.909 9.063 ( 0.000 9.139 0.073) 9.139 9.068 ( 0.000 9.008 -0.084) 9.009 9.123 ( 0.000 10.601 0.323) 10.606 9.137 ( 0.000 9.709 -0.174) 9.710 9.276 ( 0.000 19.978 0.804) 19.994 9.348 ( 0.000 18.012 -2.063) 18.129 9.582 ( 0.000 21.850 1.262) 21.887 9.617 ( 0.000 19.029 -0.219) 19.030 10.421 ( 0.000 -0.190 1.410) 1.423 10.511 ( 0.000 -1.756 -2.288) 2.884 10.596 ( 0.000 -2.588 1.485) 2.984 10.643 ( 0.000 -2.104 -0.632) 2.197 10.978 ( 0.000 -3.007 0.388) 3.032 11.011 ( 0.000 -2.020 -0.955) 2.235 11.187 ( 0.000 -4.037 1.573) 4.333 11.254 ( 0.000 -3.167 -1.023) 3.328 12.135 ( 0.000 -2.724 0.575) 2.784 12.194 ( 0.000 -2.910 -1.551) 3.298 12.204 ( 0.000 -2.457 1.561) 2.911 12.261 ( 0.000 -3.558 -0.581) 3.605======================= Grid point 96 (38/72) =======================q-point: ( 0.20 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.814 ( 0.395 13.642 3.027) 13.979 1.884 ( 1.173 14.008 0.690) 14.074 1.914 ( -1.978 17.021 2.659) 17.341 2.066 ( 3.588 14.870 -2.565) 15.510 2.218 ( -3.283 7.237 -0.588) 7.969 2.380 ( -1.525 16.299 -3.701) 16.783 2.560 ( -3.095 4.789 1.345) 5.859 2.645 ( -3.421 4.029 -2.706) 5.938 2.918 ( 0.055 2.563 1.725) 3.090 2.975 ( 0.285 4.014 -1.206) 4.201 3.010 ( -0.314 1.823 0.750) 1.996 3.055 ( -0.749 1.900 -0.470) 2.096 3.163 ( 4.491 10.634 2.365) 11.783 3.247 ( 6.851 7.146 -0.714) 9.925 3.413 ( -1.043 20.831 4.676) 21.375 3.643 ( -3.630 17.396 -4.075) 18.232 4.230 ( 0.460 9.451 -0.124) 9.463 4.246 ( 0.240 8.954 -0.624) 8.979 4.420 ( 2.102 8.524 0.814) 8.817 4.539 ( -0.424 5.135 -4.761) 7.015 4.977 ( 0.505 -4.787 7.031) 8.521 5.092 ( -2.292 1.365 4.135) 4.921 5.263 ( 2.029 -1.369 -2.873) 3.774 5.387 ( -1.101 -6.503 -4.748) 8.127 6.963 ( 1.274 0.124 0.635) 1.429 6.995 ( 1.013 -0.658 -0.691) 1.391 7.048 ( -0.313 -1.745 1.150) 2.113 7.092 ( -0.596 -2.467 -0.643) 2.618 7.234 ( 0.116 1.664 1.590) 2.305 7.333 ( -1.488 -1.716 -1.979) 3.013 7.424 ( -0.372 -2.163 0.236) 2.207 7.429 ( -0.277 -1.087 0.144) 1.131 7.740 ( 0.942 4.285 1.577) 4.662 7.825 ( -1.351 5.066 -0.933) 5.325 7.909 ( 1.844 6.182 0.663) 6.486 7.953 ( 0.427 6.556 0.744) 6.612 8.007 ( 0.268 1.169 -0.975) 1.545 8.032 ( -0.286 2.947 -1.005) 3.126 8.398 ( 0.393 5.797 1.806) 6.084 8.488 ( -1.668 2.596 -1.539) 3.448 9.071 ( 0.524 9.403 0.037) 9.417 9.074 ( 0.667 9.058 -0.072) 9.083 9.116 ( -0.541 10.429 0.393) 10.450 9.134 ( -0.357 9.591 -0.249) 9.601 9.277 ( 0.231 20.458 0.746) 20.473 9.336 ( -0.980 18.853 -1.508) 18.938 9.584 ( 0.237 21.598 0.913) 21.618 9.614 ( -0.224 19.100 -0.285) 19.104 10.434 ( 1.182 -0.469 1.155) 1.718 10.510 ( -0.227 -1.560 -1.894) 2.464 10.594 ( -0.055 -2.474 1.217) 2.758 10.636 ( -0.645 -1.953 -0.606) 2.144 10.981 ( 0.271 -2.961 0.392) 2.999 11.009 ( -0.219 -2.108 -0.710) 2.235 11.200 ( 1.095 -4.198 1.225) 4.508 11.254 ( -0.109 -3.413 -0.819) 3.511 12.138 ( 0.334 -2.606 0.554) 2.685 12.187 ( -0.682 -2.536 -0.178) 2.632 12.204 ( 0.125 -2.822 0.202) 2.832 12.252 ( -0.794 -3.500 -0.594) 3.638======================= Grid point 97 (39/72) =======================q-point: ( 0.40 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.830 ( 1.148 13.622 3.407) 14.089 1.862 ( -1.787 14.798 3.055) 15.215 1.951 ( 3.948 9.873 0.434) 10.642 2.052 ( -4.764 6.712 -2.493) 8.600 2.224 ( 4.181 16.932 1.951) 17.550 2.320 ( -4.027 16.829 -0.357) 17.308 2.528 ( 0.239 6.281 -3.206) 7.056 2.566 ( -3.133 5.229 -4.110) 7.351 2.931 ( 1.076 4.202 1.531) 4.600 2.959 ( -1.352 3.723 0.901) 4.062 3.016 ( 0.784 2.567 -1.148) 2.919 3.036 ( -0.982 2.098 -1.045) 2.541 3.276 ( 5.257 13.127 3.206) 14.499 3.363 ( -1.939 16.322 2.676) 16.653 3.406 ( 5.832 9.566 -0.429) 11.212 3.540 ( -5.779 13.183 -2.604) 14.628 4.241 ( 0.519 8.934 -0.385) 8.957 4.249 ( -0.110 8.714 -0.609) 8.736 4.473 ( 2.550 7.670 -0.619) 8.107 4.519 ( -1.567 6.185 -2.718) 6.935 4.998 ( 1.509 -2.452 5.612) 6.307 5.040 ( -2.371 -0.196 4.343) 4.952 5.310 ( 2.234 -2.898 -2.957) 4.705 5.355 ( -1.883 -4.883 -3.815) 6.477 6.997 ( 1.715 -0.533 0.736) 1.941 7.018 ( 0.479 -0.762 -0.006) 0.900 7.041 ( 0.113 -1.584 0.725) 1.745 7.067 ( -1.627 -1.819 -0.185) 2.447 7.251 ( 1.470 0.769 -0.073) 1.660 7.292 ( -2.141 -0.498 -1.473) 2.646 7.418 ( -0.062 -1.729 0.312) 1.758 7.422 ( -0.329 -1.106 0.242) 1.179 7.766 ( 1.385 4.953 0.842) 5.211 7.796 ( -1.394 5.453 0.014) 5.628 7.944 ( 1.270 6.302 -0.019) 6.428 7.958 ( -0.096 6.761 -0.053) 6.761 8.014 ( 0.426 0.336 -0.105) 0.553 8.024 ( -0.453 1.246 -0.254) 1.350 8.413 ( 1.134 4.715 0.555) 4.881 8.447 ( -1.948 3.522 -0.680) 4.081 9.084 ( 0.674 9.889 0.139) 9.913 9.092 ( 0.578 9.869 -0.226) 9.888 9.105 ( -0.199 9.544 0.385) 9.554 9.120 ( -0.906 9.306 -0.237) 9.353 9.288 ( 0.811 21.002 0.423) 21.022 9.311 ( -1.250 20.390 -0.398) 20.432 9.593 ( 0.570 20.694 0.215) 20.703 9.606 ( -0.545 19.647 -0.238) 19.656 10.466 ( 1.603 -0.947 0.458) 1.917 10.496 ( -1.110 -1.261 -0.675) 1.811 10.599 ( 0.640 -2.111 0.319) 2.228 10.618 ( -0.976 -1.835 -0.376) 2.112 10.990 ( 0.529 -2.761 0.228) 2.820 11.001 ( -0.491 -2.399 -0.199) 2.457 11.226 ( 1.225 -4.283 0.481) 4.481 11.247 ( -0.624 -3.938 -0.270) 3.997 12.150 ( 0.722 -2.383 0.554) 2.550 12.168 ( -0.974 -2.313 0.524) 2.564 12.212 ( 0.667 -3.126 -0.518) 3.238 12.231 ( -1.044 -3.344 -0.608) 3.555======================= Grid point 100 (40/72) =======================q-point: ( 0.00 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( 0.000 7.544 1.497) 7.691 2.104 ( 0.000 7.262 -1.015) 7.333 2.163 ( 0.000 3.147 0.419) 3.175 2.224 ( 0.000 -2.365 -2.029) 3.116 2.475 ( 0.000 18.966 2.309) 19.106 2.663 ( 0.000 9.056 -4.982) 10.336 2.703 ( 0.000 6.995 2.905) 7.574 2.781 ( 0.000 6.617 -0.495) 6.635 2.981 ( 0.000 6.267 2.152) 6.626 3.053 ( 0.000 4.838 -1.701) 5.128 3.059 ( 0.000 3.576 1.271) 3.795 3.124 ( 0.000 3.779 -0.617) 3.829 3.273 ( 0.000 5.545 1.427) 5.726 3.332 ( 0.000 7.491 -0.644) 7.519 3.812 ( 0.000 14.679 3.423) 15.073 4.009 ( 0.000 11.507 -4.231) 12.260 4.362 ( 0.000 3.630 -0.251) 3.639 4.392 ( 0.000 5.518 -1.402) 5.693 4.524 ( 0.000 4.192 0.317) 4.204 4.562 ( 0.000 -1.815 -1.520) 2.367 4.856 ( 0.000 -4.850 7.092) 8.591 5.180 ( 0.000 -6.228 -6.001) 8.648 5.196 ( 0.000 4.249 2.261) 4.813 5.291 ( 0.000 -1.549 -0.787) 1.737 6.946 ( 0.000 -0.391 0.351) 0.525 6.967 ( 0.000 -0.901 -0.432) 0.999 7.023 ( 0.000 -0.887 0.680) 1.118 7.051 ( 0.000 -1.770 -0.409) 1.816 7.268 ( 0.000 1.437 1.139) 1.833 7.290 ( 0.000 -2.590 0.276) 2.605 7.377 ( 0.000 -2.981 0.068) 2.982 7.402 ( 0.000 -1.171 -0.795) 1.415 7.801 ( 0.000 3.389 1.656) 3.772 7.907 ( 0.000 2.930 -2.369) 3.768 7.992 ( 0.000 4.702 1.241) 4.863 8.026 ( 0.000 2.345 1.588) 2.832 8.056 ( 0.000 2.716 -1.113) 2.935 8.109 ( 0.000 2.559 -1.607) 3.021 8.459 ( 0.000 -0.071 1.113) 1.115 8.508 ( 0.000 -2.263 -0.692) 2.367 9.239 ( 0.000 7.664 0.021) 7.664 9.241 ( 0.000 7.610 -0.043) 7.610 9.319 ( 0.000 8.238 0.096) 8.238 9.323 ( 0.000 8.001 -0.033) 8.001 9.682 ( 0.000 18.447 0.232) 18.449 9.706 ( 0.000 16.060 -0.677) 16.074 9.960 ( 0.000 13.342 0.696) 13.360 9.988 ( 0.000 16.185 -0.334) 16.189 10.421 ( 0.000 0.342 0.780) 0.852 10.478 ( 0.000 -1.360 -1.650) 2.138 10.551 ( 0.000 -1.615 1.627) 2.292 10.605 ( 0.000 -1.549 -0.709) 1.704 10.933 ( 0.000 -1.280 0.678) 1.449 10.987 ( 0.000 -0.377 -1.634) 1.677 11.111 ( 0.000 -3.218 2.066) 3.824 11.191 ( 0.000 -2.957 -1.214) 3.196 12.094 ( 0.000 -1.235 0.635) 1.389 12.144 ( 0.000 -1.989 -1.252) 2.350 12.162 ( 0.000 -1.569 0.934) 1.826 12.197 ( 0.000 -2.603 -0.295) 2.619======================= Grid point 101 (41/72) =======================q-point: ( 0.20 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.033 ( 0.034 7.280 1.473) 7.428 2.098 ( -0.547 6.495 -0.914) 6.582 2.135 ( -2.200 4.230 0.816) 4.837 2.192 ( -2.652 -1.428 -1.270) 3.269 2.503 ( 2.378 17.754 1.785) 18.001 2.664 ( 0.141 8.585 -4.339) 9.620 2.680 ( -1.827 9.073 2.069) 9.483 2.752 ( -2.201 7.744 -0.888) 8.099 3.006 ( 1.690 6.146 1.713) 6.601 3.055 ( -0.284 3.622 1.099) 3.796 3.069 ( 0.854 4.757 -1.363) 5.021 3.112 ( -0.963 3.810 -0.769) 4.005 3.342 ( 6.227 6.254 1.475) 8.948 3.390 ( 5.286 6.338 -0.299) 8.258 3.769 ( -3.875 13.361 3.077) 14.247 3.937 ( -6.322 10.529 -3.264) 12.707 4.363 ( 0.107 3.505 -0.379) 3.527 4.385 ( -0.479 4.670 -1.156) 4.835 4.539 ( 0.994 2.447 -0.556) 2.699 4.565 ( 0.171 -1.173 -1.361) 1.805 4.890 ( 2.973 -2.997 6.591) 7.827 5.143 ( -2.801 1.881 0.007) 3.374 5.216 ( 1.224 -3.749 -2.698) 4.778 5.286 ( -0.467 -1.659 -1.270) 2.141 6.957 ( 0.978 -0.461 0.457) 1.174 6.978 ( 0.953 -0.938 -0.342) 1.380 7.020 ( -0.307 -0.920 0.730) 1.214 7.048 ( -0.407 -1.741 -0.332) 1.818 7.262 ( -0.283 1.088 0.564) 1.258 7.291 ( -0.164 -1.630 -0.055) 1.639 7.376 ( -0.027 -2.499 0.207) 2.507 7.400 ( -0.257 -1.412 -0.506) 1.522 7.814 ( 1.081 3.359 1.355) 3.780 7.899 ( -0.747 3.136 -1.775) 3.680 8.004 ( 0.998 4.203 0.933) 4.420 8.030 ( 0.410 2.163 1.278) 2.546 8.054 ( -0.202 2.719 -0.854) 2.857 8.098 ( -0.947 2.404 -1.252) 2.871 8.455 ( -0.294 -0.326 0.804) 0.916 8.494 ( -1.161 -2.044 -0.626) 2.433 9.248 ( 0.748 7.619 0.034) 7.655 9.250 ( 0.791 7.730 -0.050) 7.770 9.311 ( -0.685 8.208 0.155) 8.238 9.318 ( -0.540 7.920 -0.097) 7.939 9.688 ( 0.534 18.410 0.264) 18.419 9.709 ( 0.184 16.525 -0.489) 16.533 9.960 ( 0.050 13.508 0.505) 13.517 9.984 ( -0.412 15.853 -0.337) 15.862 10.431 ( 0.852 0.227 0.702) 1.127 10.482 ( 0.240 -1.022 -1.502) 1.832 10.551 ( 0.069 -1.611 1.473) 2.183 10.601 ( -0.454 -1.450 -0.693) 1.670 10.938 ( 0.447 -1.150 0.641) 1.390 10.984 ( -0.307 -0.295 -1.278) 1.347 11.119 ( 0.737 -3.585 1.640) 4.011 11.185 ( -0.564 -3.214 -1.006) 3.415 12.099 ( 0.460 -1.205 0.557) 1.405 12.143 ( -0.199 -1.794 -0.935) 2.033 12.158 ( -0.280 -1.662 0.676) 1.816 12.190 ( -0.647 -2.507 -0.301) 2.607======================= Grid point 102 (42/72) =======================q-point: ( 0.40 0.36 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.041 ( 0.865 6.390 1.258) 6.570 2.073 ( -1.900 5.072 0.475) 5.437 2.106 ( 0.200 4.967 0.195) 4.975 2.134 ( -2.287 1.681 -0.349) 2.860 2.565 ( 3.133 14.863 1.193) 15.236 2.629 ( -2.769 11.238 1.204) 11.636 2.676 ( 0.995 9.546 -3.023) 10.062 2.707 ( -1.834 8.985 -1.818) 9.349 3.034 ( 0.915 5.811 1.149) 5.994 3.048 ( -0.436 4.602 0.963) 4.722 3.081 ( 0.358 4.272 -0.997) 4.401 3.092 ( -0.767 3.842 -0.877) 4.015 3.501 ( 7.707 8.555 1.530) 11.616 3.551 ( 9.422 5.542 -0.344) 10.937 3.656 ( -6.481 10.609 2.267) 12.637 3.762 ( -9.582 8.045 -1.568) 12.610 4.368 ( 0.308 3.393 -0.638) 3.466 4.376 ( -0.428 3.713 -0.905) 3.846 4.556 ( 0.607 -0.088 -1.172) 1.323 4.565 ( -0.205 -0.666 -1.262) 1.442 4.972 ( 4.438 0.358 5.042) 6.727 5.067 ( -4.163 2.499 2.886) 5.648 5.244 ( 1.355 -4.074 -3.085) 5.287 5.270 ( -1.030 -2.613 -2.256) 3.602 6.984 ( 1.307 -0.662 0.639) 1.598 7.001 ( 0.642 -0.811 0.099) 1.039 7.011 ( -0.148 -1.205 0.520) 1.321 7.032 ( -1.096 -1.502 -0.109) 1.863 7.264 ( 0.492 0.719 -0.370) 0.947 7.279 ( -0.802 -0.280 -0.676) 1.086 7.380 ( 0.440 -1.929 0.356) 2.010 7.391 ( -0.515 -1.656 0.011) 1.734 7.843 ( 1.575 3.330 0.540) 3.723 7.876 ( -1.363 3.307 -0.599) 3.626 8.028 ( 1.069 3.391 0.393) 3.577 8.045 ( 1.023 2.044 0.454) 2.330 8.046 ( -0.599 2.764 -0.199) 2.835 8.072 ( -1.343 2.091 -0.420) 2.520 8.453 ( 0.219 -0.897 0.155) 0.936 8.467 ( -1.138 -1.519 -0.372) 1.934 9.268 ( 1.106 7.847 0.087) 7.925 9.273 ( 1.260 7.718 -0.081) 7.821 9.292 ( -1.046 8.094 0.157) 8.162 9.300 ( -1.133 7.777 -0.118) 7.860 9.701 ( 0.614 18.158 0.223) 18.170 9.710 ( -0.162 17.469 -0.074) 17.469 9.964 ( 0.297 14.075 0.080) 14.078 9.973 ( -0.525 15.002 -0.247) 15.013 10.455 ( 1.248 -0.037 0.368) 1.302 10.478 ( -0.746 -0.408 -0.500) 0.987 10.561 ( 0.958 -1.530 0.446) 1.860 10.585 ( -1.033 -1.372 -0.429) 1.770 10.952 ( 0.894 -0.794 0.329) 1.240 10.972 ( -0.834 -0.390 -0.414) 1.009 11.141 ( 1.257 -3.974 0.608) 4.212 11.167 ( -1.110 -3.740 -0.382) 3.919 12.113 ( 0.804 -1.176 0.389) 1.477 12.131 ( -0.820 -1.300 0.098) 1.540 12.159 ( 0.423 -2.038 -0.213) 2.092 12.173 ( -0.820 -2.282 -0.318) 2.446======================= Grid point 105 (43/72) =======================q-point: ( 0.00 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 0.000 -2.317 -0.258) 2.331 2.117 ( 0.000 -3.614 -0.142) 3.617 2.153 ( 0.000 0.905 1.340) 1.617 2.204 ( 0.000 1.197 -0.734) 1.404 2.792 ( 0.000 9.970 -0.362) 9.976 2.828 ( 0.000 7.191 -1.342) 7.315 2.870 ( 0.000 7.830 1.991) 8.079 2.904 ( 0.000 3.708 0.465) 3.738 3.110 ( 0.000 5.145 0.938) 5.230 3.141 ( 0.000 3.278 -0.719) 3.356 3.167 ( 0.000 5.797 -0.267) 5.803 3.205 ( 0.000 3.548 -1.449) 3.832 3.368 ( 0.000 4.281 2.053) 4.748 3.445 ( 0.000 3.205 -0.983) 3.352 4.029 ( 0.000 6.754 1.616) 6.945 4.136 ( 0.000 1.195 -3.268) 3.480 4.391 ( 0.000 0.093 0.661) 0.667 4.466 ( 0.000 -0.672 -0.264) 0.722 4.527 ( 0.000 1.439 0.005) 1.439 4.582 ( 0.000 1.509 -0.903) 1.758 4.804 ( 0.000 0.311 4.299) 4.310 5.019 ( 0.000 -8.133 -3.890) 9.015 5.271 ( 0.000 2.688 0.806) 2.806 5.296 ( 0.000 0.818 -0.011) 0.818 6.938 ( 0.000 -0.289 0.242) 0.377 6.949 ( 0.000 -0.790 -0.119) 0.799 7.013 ( 0.000 -0.183 0.355) 0.400 7.025 ( 0.000 -0.863 -0.075) 0.866 7.257 ( 0.000 -0.520 0.565) 0.768 7.289 ( 0.000 -0.067 -0.681) 0.685 7.329 ( 0.000 -0.811 1.178) 1.430 7.376 ( 0.000 -1.386 -0.620) 1.519 7.876 ( 0.000 3.840 1.508) 4.125 7.969 ( 0.000 2.560 -2.072) 3.293 8.032 ( 0.000 -0.873 1.396) 1.646 8.078 ( 0.000 1.997 -0.039) 1.998 8.147 ( 0.000 5.823 -0.481) 5.843 8.152 ( 0.000 3.516 -1.144) 3.697 8.404 ( 0.000 -4.798 0.605) 4.836 8.423 ( 0.000 -5.646 -0.072) 5.646 9.367 ( 0.000 4.467 0.011) 4.467 9.368 ( 0.000 4.427 -0.032) 4.427 9.453 ( 0.000 4.578 0.003) 4.578 9.454 ( 0.000 4.511 -0.032) 4.511 9.984 ( 0.000 10.457 0.112) 10.458 10.003 ( 0.000 12.152 -0.711) 12.173 10.143 ( 0.000 4.403 1.568) 4.674 10.209 ( 0.000 4.765 -1.003) 4.870 10.439 ( 0.000 1.306 0.236) 1.328 10.464 ( 0.000 0.028 -0.889) 0.890 10.535 ( 0.000 0.192 1.275) 1.290 10.579 ( 0.000 -1.091 -0.568) 1.230 10.927 ( 0.000 0.663 0.788) 1.030 10.983 ( 0.000 -0.625 -1.578) 1.698 11.066 ( 0.000 -0.697 1.743) 1.877 11.133 ( 0.000 -2.681 -1.051) 2.880 12.083 ( 0.000 0.047 0.456) 0.458 12.111 ( 0.000 -1.217 -0.630) 1.370 12.139 ( 0.000 -0.636 0.379) 0.741 12.155 ( 0.000 -1.483 -0.161) 1.492======================= Grid point 106 (44/72) =======================q-point: ( 0.20 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( -0.357 -2.406 0.093) 2.434 2.117 ( -0.062 -1.336 -0.329) 1.377 2.146 ( -0.573 0.719 1.078) 1.417 2.191 ( -1.181 1.157 -0.671) 1.784 2.794 ( 0.159 9.066 -0.531) 9.083 2.819 ( -0.623 7.603 -0.946) 7.687 2.871 ( 0.001 7.334 1.169) 7.427 2.890 ( -0.994 4.103 0.134) 4.224 3.131 ( 1.325 4.951 0.816) 5.190 3.148 ( 0.450 4.264 -0.378) 4.304 3.169 ( 0.146 5.003 -0.008) 5.005 3.200 ( -0.455 3.915 -1.261) 4.138 3.439 ( 6.632 3.894 1.746) 7.886 3.493 ( 4.559 3.209 -0.450) 5.593 3.969 ( -5.395 6.488 1.776) 8.623 4.066 ( -6.514 2.127 -2.218) 7.202 4.391 ( 0.058 0.013 0.242) 0.249 4.455 ( -1.524 2.141 -1.743) 3.154 4.487 ( -1.205 -3.492 1.496) 3.985 4.568 ( -1.661 -0.843 -1.447) 2.359 4.878 ( 5.732 1.824 3.626) 7.024 5.062 ( 3.405 -6.188 -3.416) 7.846 5.233 ( -3.222 2.551 1.283) 4.305 5.280 ( -1.615 0.040 -0.490) 1.689 6.949 ( 0.928 -0.280 0.305) 1.016 6.959 ( 0.917 -0.795 -0.067) 1.215 7.009 ( -0.366 -0.199 0.415) 0.588 7.021 ( -0.368 -0.875 -0.021) 0.949 7.265 ( 0.619 -0.072 0.280) 0.683 7.290 ( 0.063 0.481 -0.623) 0.789 7.332 ( 0.248 -1.237 0.951) 1.580 7.371 ( -0.500 -1.454 -0.549) 1.632 7.888 ( 1.014 3.794 1.263) 4.125 7.966 ( -0.415 3.132 -1.758) 3.615 8.033 ( 0.221 -1.293 1.326) 1.865 8.078 ( -0.098 1.039 -0.177) 1.059 8.140 ( -0.521 5.027 -0.567) 5.086 8.147 ( -0.420 4.857 -0.579) 4.909 8.397 ( -0.553 -4.876 0.384) 4.922 8.413 ( -0.842 -5.510 -0.142) 5.576 9.375 ( 0.771 4.480 0.036) 4.546 9.378 ( 0.812 4.402 -0.051) 4.477 9.445 ( -0.715 4.591 0.045) 4.647 9.448 ( -0.651 4.442 -0.059) 4.490 9.992 ( 0.647 10.596 0.150) 10.616 10.007 ( 0.312 12.027 -0.452) 12.040 10.146 ( 0.298 4.405 1.219) 4.580 10.201 ( -0.774 4.757 -0.867) 4.896 10.448 ( 0.814 1.397 0.282) 1.642 10.475 ( 0.931 0.324 -0.987) 1.395 10.532 ( -0.183 0.005 1.261) 1.274 10.576 ( -0.376 -1.088 -0.602) 1.299 10.935 ( 0.720 0.812 0.735) 1.310 10.988 ( 0.302 0.008 -1.579) 1.608 11.061 ( -0.313 -1.550 1.724) 2.339 11.122 ( -0.975 -2.876 -0.910) 3.170 12.087 ( 0.446 0.014 0.394) 0.595 12.113 ( 0.166 -1.093 -0.589) 1.253 12.134 ( -0.434 -0.624 0.378) 0.849 12.149 ( -0.486 -1.410 -0.159) 1.500======================= Grid point 107 (45/72) =======================q-point: ( 0.40 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.106 ( 0.267 -0.131 0.259) 0.395 2.115 ( -0.286 1.406 0.084) 1.437 2.137 ( 0.231 -0.606 0.194) 0.677 2.159 ( -1.523 0.520 -0.443) 1.669 2.799 ( 0.299 7.671 -0.832) 7.722 2.807 ( -0.481 7.616 -0.850) 7.679 2.870 ( -0.042 6.328 0.284) 6.335 2.873 ( -0.454 5.313 -0.012) 5.333 3.147 ( 0.403 4.888 0.272) 4.912 3.155 ( -0.191 5.433 0.175) 5.439 3.175 ( 0.628 4.233 0.102) 4.281 3.189 ( -0.556 4.339 -0.471) 4.400 3.632 ( 9.012 4.188 0.823) 9.971 3.635 ( 9.989 2.949 0.695) 10.438 3.816 ( -8.426 5.321 1.536) 10.083 3.874 ( -10.806 2.930 -0.435) 11.205 4.397 ( 0.616 0.243 -0.479) 0.817 4.418 ( -1.387 1.187 -1.207) 2.188 4.491 ( 1.059 -4.419 0.086) 4.545 4.525 ( -2.003 -3.299 -1.063) 4.003 5.010 ( 6.154 2.840 2.557) 7.245 5.119 ( -1.897 1.412 -0.435) 2.404 5.166 ( 0.644 -2.389 -0.048) 2.475 5.229 ( -3.057 -1.803 -1.243) 3.761 6.973 ( 1.227 -0.286 0.424) 1.329 6.983 ( 1.210 -0.777 0.051) 1.439 6.996 ( -0.834 -0.271 0.471) 0.996 7.007 ( -0.931 -0.838 0.076) 1.255 7.279 ( 0.645 0.817 -0.215) 1.063 7.289 ( -0.231 1.126 -0.472) 1.243 7.341 ( 0.624 -1.771 0.349) 1.910 7.357 ( -0.752 -1.676 -0.247) 1.853 7.916 ( 1.543 3.731 0.551) 4.075 7.948 ( -1.281 3.663 -0.588) 3.925 8.046 ( 0.971 -1.510 0.589) 1.890 8.068 ( -0.898 -0.869 -0.152) 1.258 8.132 ( -0.066 5.498 -0.155) 5.500 8.137 ( -0.413 5.530 -0.179) 5.548 8.387 ( -0.137 -5.025 -0.018) 5.027 8.394 ( -0.730 -5.240 -0.205) 5.294 9.398 ( 1.243 4.495 0.043) 4.664 9.400 ( 1.232 4.389 -0.050) 4.559 9.425 ( -1.150 4.546 0.059) 4.690 9.428 ( -1.190 4.383 -0.050) 4.542 10.006 ( 0.558 11.025 0.208) 11.041 10.012 ( 0.040 11.604 0.028) 11.604 10.157 ( 0.830 4.494 0.371) 4.585 10.179 ( -1.128 4.672 -0.422) 4.825 10.470 ( 1.129 1.579 0.238) 1.956 10.488 ( -0.193 1.447 -0.448) 1.527 10.536 ( 0.839 -0.965 0.467) 1.362 10.560 ( -1.070 -1.111 -0.456) 1.609 10.957 ( 1.323 1.198 0.398) 1.829 10.984 ( -0.866 1.367 -0.637) 1.739 11.065 ( 0.936 -3.292 0.723) 3.498 11.094 ( -1.529 -3.300 -0.418) 3.661 12.100 ( 0.717 -0.086 0.240) 0.761 12.114 ( -0.366 -0.394 -0.189) 0.570 12.127 ( 0.083 -1.074 0.097) 1.082 12.137 ( -0.625 -1.271 -0.157) 1.425======================= Grid point 110 (46/72) =======================q-point: ( 0.00 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( 0.000 -0.032 0.124) 0.129 2.070 ( 0.000 0.032 0.124) 0.129 2.195 ( 0.000 -1.658 0.131) 1.663 2.195 ( 0.000 1.658 0.131) 1.663 2.904 ( 0.000 -1.329 0.250) 1.352 2.904 ( 0.000 1.329 0.250) 1.353 2.944 ( 0.000 -0.694 0.371) 0.787 2.944 ( 0.000 0.694 0.371) 0.787 3.172 ( 0.000 -0.650 0.105) 0.659 3.172 ( 0.000 0.651 0.105) 0.659 3.242 ( 0.000 -0.778 -1.149) 1.388 3.242 ( 0.000 0.778 -1.149) 1.388 3.449 ( 0.000 -2.704 0.476) 2.746 3.449 ( 0.000 2.704 0.476) 2.746 4.114 ( 0.000 -2.309 -1.422) 2.712 4.114 ( 0.000 2.310 -1.422) 2.712 4.410 ( 0.000 -2.326 2.802) 3.642 4.410 ( 0.000 2.326 2.802) 3.642 4.582 ( 0.000 -1.664 -1.966) 2.575 4.582 ( 0.000 1.664 -1.966) 2.575 4.870 ( 0.000 -5.784 -0.178) 5.787 4.870 ( 0.000 5.784 -0.178) 5.787 5.303 ( 0.000 -0.452 0.308) 0.547 5.303 ( 0.000 0.452 0.308) 0.547 6.938 ( 0.000 -0.258 0.114) 0.282 6.938 ( 0.000 0.258 0.114) 0.282 7.014 ( 0.000 -0.264 0.146) 0.301 7.014 ( 0.000 0.264 0.146) 0.301 7.266 ( 0.000 -1.171 -0.004) 1.171 7.266 ( 0.000 1.171 -0.004) 1.171 7.346 ( 0.000 -1.459 0.139) 1.465 7.346 ( 0.000 1.459 0.139) 1.465 7.953 ( 0.000 -3.280 0.999) 3.428 7.953 ( 0.000 3.280 0.998) 3.428 8.058 ( 0.000 -2.513 -1.201) 2.785 8.058 ( 0.000 2.513 -1.201) 2.785 8.255 ( 0.000 -1.251 -0.825) 1.498 8.255 ( 0.000 1.251 -0.825) 1.498 8.307 ( 0.000 -1.460 0.876) 1.703 8.307 ( 0.000 1.460 0.876) 1.702 9.415 ( 0.000 -0.041 -0.006) 0.041 9.415 ( 0.000 0.041 -0.006) 0.041 9.502 ( 0.000 -0.025 -0.038) 0.045 9.502 ( 0.000 0.025 -0.038) 0.045 10.123 ( 0.000 -2.381 -0.062) 2.382 10.123 ( 0.000 2.382 -0.062) 2.382 10.205 ( 0.000 -3.784 0.074) 3.785 10.205 ( 0.000 3.784 0.074) 3.785 10.462 ( 0.000 -0.589 -0.031) 0.590 10.462 ( 0.000 0.589 -0.031) 0.590 10.555 ( 0.000 -1.300 0.032) 1.300 10.555 ( 0.000 1.300 0.032) 1.300 10.954 ( 0.000 -1.719 0.217) 1.733 10.954 ( 0.000 1.719 0.217) 1.733 11.084 ( 0.000 -1.962 -0.260) 1.979 11.084 ( 0.000 1.962 -0.260) 1.979 12.092 ( 0.000 -0.736 0.047) 0.737 12.092 ( 0.000 0.736 0.047) 0.738 12.136 ( 0.000 -0.347 -0.018) 0.348 12.136 ( 0.000 0.348 -0.018) 0.348======================= Grid point 112 (47/72) =======================q-point: ( 0.20 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( 0.881 -0.409 0.042) 0.972 2.079 ( 0.881 0.409 0.042) 0.972 2.183 ( -1.087 -1.479 0.072) 1.837 2.183 ( -1.087 1.479 0.072) 1.837 2.901 ( -0.205 -1.700 0.055) 1.713 2.901 ( -0.205 1.701 0.055) 1.714 2.933 ( -0.897 -1.256 -0.084) 1.545 2.933 ( -0.897 1.256 -0.084) 1.545 3.191 ( 1.320 -0.494 0.265) 1.434 3.191 ( 1.320 0.494 0.265) 1.434 3.239 ( -0.283 -0.756 -0.799) 1.136 3.239 ( -0.283 0.756 -0.799) 1.136 3.506 ( 5.399 -1.927 0.671) 5.772 3.506 ( 5.399 1.927 0.671) 5.772 4.056 ( -5.552 -2.356 -0.444) 6.048 4.056 ( -5.552 2.357 -0.444) 6.048 4.406 ( -0.134 -2.197 1.879) 2.894 4.406 ( -0.134 2.197 1.879) 2.894 4.526 ( -3.772 -2.943 -1.983) 5.179 4.526 ( -3.772 2.943 -1.983) 5.179 4.948 ( 5.741 -4.647 -0.123) 7.387 4.948 ( 5.741 4.647 -0.123) 7.387 5.271 ( -2.831 -1.090 0.256) 3.045 5.271 ( -2.831 1.090 0.256) 3.045 6.948 ( 0.933 -0.255 0.147) 0.978 6.948 ( 0.933 0.255 0.147) 0.978 7.010 ( -0.380 -0.277 0.199) 0.510 7.010 ( -0.380 0.277 0.199) 0.510 7.276 ( 0.930 -1.081 -0.083) 1.428 7.276 ( 0.930 1.081 -0.083) 1.428 7.341 ( -0.509 -1.360 0.063) 1.454 7.341 ( -0.509 1.360 0.063) 1.454 7.963 ( 0.933 -3.203 0.846) 3.442 7.963 ( 0.933 3.203 0.846) 3.442 8.049 ( -0.850 -2.634 -0.918) 2.916 8.049 ( -0.850 2.634 -0.918) 2.916 8.254 ( -0.023 -1.610 -0.703) 1.757 8.254 ( -0.023 1.610 -0.703) 1.757 8.295 ( -0.960 -1.715 0.642) 2.068 8.295 ( -0.960 1.715 0.642) 2.068 9.423 ( 0.784 -0.068 -0.003) 0.787 9.423 ( 0.784 0.068 -0.003) 0.787 9.494 ( -0.707 -0.068 -0.027) 0.711 9.494 ( -0.707 0.068 -0.027) 0.711 10.133 ( 0.842 -2.393 -0.010) 2.537 10.133 ( 0.843 2.394 -0.010) 2.538 10.198 ( -0.589 -3.582 0.110) 3.632 10.198 ( -0.589 3.582 0.110) 3.632 10.474 ( 1.100 -0.754 -0.057) 1.335 10.474 ( 1.100 0.754 -0.057) 1.335 10.551 ( -0.436 -1.347 -0.033) 1.416 10.551 ( -0.436 1.347 -0.033) 1.416 10.964 ( 0.955 -1.792 0.190) 2.040 10.964 ( 0.955 1.792 0.190) 2.040 11.070 ( -1.205 -1.974 -0.206) 2.322 11.070 ( -1.205 1.974 -0.206) 2.322 12.095 ( 0.351 -0.665 0.035) 0.753 12.095 ( 0.351 0.665 0.035) 0.753 12.131 ( -0.425 -0.345 -0.015) 0.548 12.131 ( -0.425 0.345 -0.015) 0.548======================= Grid point 114 (48/72) =======================q-point: ( 0.40 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.108 ( 1.794 -0.639 -0.073) 1.906 2.108 ( 1.794 0.639 -0.073) 1.906 2.150 ( -1.924 -1.020 -0.046) 2.178 2.150 ( -1.924 1.020 -0.046) 2.178 2.900 ( 0.252 -2.015 -0.367) 2.063 2.900 ( 0.252 2.015 -0.366) 2.064 2.913 ( -0.862 -1.896 -0.527) 2.148 2.913 ( -0.862 1.896 -0.527) 2.148 3.215 ( 0.888 -0.780 0.272) 1.213 3.215 ( 0.888 0.780 0.272) 1.213 3.230 ( -0.552 -0.846 -0.134) 1.019 3.230 ( -0.552 0.846 -0.134) 1.019 3.672 ( 9.577 -0.256 0.938) 9.627 3.672 ( 9.578 0.256 0.938) 9.627 3.886 ( -9.711 -1.534 0.731) 9.859 3.886 ( -9.711 1.534 0.731) 9.859 4.415 ( 1.167 -2.245 0.073) 2.531 4.415 ( 1.167 2.245 0.073) 2.531 4.456 ( -2.601 -2.807 -1.261) 4.030 4.456 ( -2.601 2.807 -1.261) 4.030 5.075 ( 5.808 -3.330 -0.009) 6.694 5.075 ( 5.808 3.330 -0.009) 6.695 5.189 ( -4.717 -2.147 0.129) 5.184 5.189 ( -4.717 2.147 0.129) 5.184 6.973 ( 1.233 -0.241 0.226) 1.276 6.973 ( 1.233 0.241 0.226) 1.276 6.996 ( -0.896 -0.259 0.261) 0.968 6.996 ( -0.896 0.259 0.261) 0.968 7.301 ( 1.227 -0.984 -0.175) 1.583 7.301 ( 1.227 0.984 -0.175) 1.583 7.325 ( -0.964 -1.124 -0.100) 1.484 7.325 ( -0.964 1.124 -0.100) 1.484 7.990 ( 1.521 -3.031 0.404) 3.415 7.990 ( 1.521 3.031 0.404) 3.415 8.024 ( -1.478 -2.844 -0.258) 3.215 8.024 ( -1.478 2.844 -0.258) 3.215 8.257 ( 0.389 -2.032 -0.368) 2.101 8.257 ( 0.389 2.032 -0.368) 2.102 8.272 ( -0.994 -2.051 0.124) 2.282 8.272 ( -0.994 2.050 0.124) 2.282 9.446 ( 1.243 -0.065 -0.001) 1.245 9.446 ( 1.243 0.065 -0.001) 1.245 9.473 ( -1.194 -0.067 -0.009) 1.195 9.473 ( -1.194 0.067 -0.009) 1.195 10.156 ( 1.206 -2.594 0.093) 2.863 10.156 ( 1.207 2.595 0.093) 2.863 10.180 ( -1.050 -3.083 0.144) 3.260 10.180 ( -1.050 3.083 0.144) 3.260 10.504 ( 1.554 -1.088 -0.109) 1.900 10.504 ( 1.554 1.088 -0.109) 1.900 10.534 ( -1.159 -1.327 -0.117) 1.766 10.534 ( -1.159 1.327 -0.117) 1.766 10.994 ( 1.789 -1.922 0.090) 2.627 10.994 ( 1.789 1.922 0.090) 2.627 11.036 ( -1.927 -1.981 -0.067) 2.764 11.036 ( -1.927 1.981 -0.067) 2.764 12.106 ( 0.597 -0.507 0.012) 0.783 12.106 ( 0.597 0.507 0.012) 0.783 12.119 ( -0.643 -0.380 -0.006) 0.747 12.119 ( -0.643 0.380 -0.006) 0.747======================= Grid point 150 (49/72) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.743 ( 0.000 0.000 -15.595) 15.595 0.743 ( 0.000 0.000 15.595) 15.595 0.872 ( 0.000 0.000 -9.472) 9.472 0.872 ( 0.000 0.000 9.472) 9.472 1.432 ( 0.000 0.000 -23.446) 23.446 1.432 ( 0.000 0.000 23.447) 23.447 1.587 ( 0.000 0.000 -4.638) 4.638 1.587 ( 0.000 0.000 4.638) 4.638 1.846 ( 0.000 0.000 -0.497) 0.497 1.846 ( 0.000 0.000 0.497) 0.497 2.583 ( 0.000 0.000 -3.441) 3.441 2.583 ( 0.000 0.000 3.441) 3.441 3.140 ( 0.000 0.000 -0.387) 0.387 3.140 ( 0.000 0.000 0.387) 0.387 3.221 ( 0.000 0.000 -1.565) 1.565 3.221 ( 0.000 0.000 1.565) 1.565 3.293 ( 0.000 0.000 -1.144) 1.144 3.293 ( 0.000 0.000 1.144) 1.144 3.427 ( 0.000 0.000 -13.261) 13.261 3.427 ( 0.000 0.000 13.261) 13.261 4.513 ( 0.000 0.000 -3.533) 3.533 4.513 ( 0.000 0.000 3.533) 3.533 5.335 ( 0.000 0.000 -5.465) 5.465 5.335 ( 0.000 0.000 5.465) 5.465 5.520 ( 0.000 0.000 -12.061) 12.061 5.520 ( 0.000 0.000 12.061) 12.061 5.666 ( 0.000 0.000 -0.971) 0.971 5.666 ( 0.000 0.000 0.971) 0.971 7.145 ( 0.000 0.000 -1.930) 1.930 7.145 ( 0.000 0.000 1.930) 1.930 7.250 ( 0.000 0.000 -2.092) 2.092 7.250 ( 0.000 0.000 2.092) 2.092 7.486 ( 0.000 0.000 -0.150) 0.150 7.486 ( 0.000 0.000 0.150) 0.150 7.802 ( 0.000 0.000 -1.387) 1.387 7.802 ( 0.000 0.000 1.387) 1.387 7.957 ( 0.000 0.000 -0.678) 0.678 7.957 ( 0.000 0.000 0.678) 0.678 8.035 ( 0.000 0.000 -0.197) 0.197 8.035 ( 0.000 0.000 0.197) 0.197 8.533 ( 0.000 0.000 -0.109) 0.109 8.533 ( 0.000 0.000 0.109) 0.109 8.544 ( 0.000 0.000 -0.507) 0.507 8.544 ( 0.000 0.000 0.507) 0.507 8.556 ( 0.000 0.000 -0.319) 0.319 8.556 ( 0.000 0.000 0.319) 0.319 8.600 ( 0.000 0.000 -0.644) 0.644 8.600 ( 0.000 0.000 0.644) 0.644 10.525 ( 0.000 0.000 -4.189) 4.189 10.525 ( 0.000 0.000 4.189) 4.189 10.788 ( 0.000 0.000 -0.187) 0.187 10.788 ( 0.000 0.000 0.187) 0.187 11.237 ( 0.000 0.000 -0.311) 0.311 11.237 ( 0.000 0.000 0.311) 0.311 11.456 ( 0.000 0.000 -0.222) 0.222 11.456 ( 0.000 0.000 0.222) 0.222 12.435 ( 0.000 0.000 -3.360) 3.360 12.435 ( 0.000 0.000 3.361) 3.361 12.560 ( 0.000 0.000 -1.201) 1.201 12.560 ( 0.000 0.000 1.201) 1.201======================= Grid point 152 (50/72) =======================q-point: ( 0.20 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( 5.256 0.000 -12.585) 13.639 0.807 ( 5.256 0.000 12.585) 13.639 0.909 ( 2.951 0.000 -19.575) 19.796 0.909 ( 2.951 0.000 19.575) 19.796 1.531 ( 7.203 0.000 -7.599) 10.470 1.531 ( 7.203 0.000 7.599) 10.470 1.556 ( -2.648 0.000 -4.308) 5.057 1.556 ( -2.648 0.000 4.308) 5.057 1.858 ( 2.019 0.000 -10.051) 10.252 1.858 ( 2.019 0.000 10.052) 10.252 2.571 ( -0.891 0.000 -2.511) 2.665 2.571 ( -0.891 0.000 2.511) 2.665 3.163 ( 1.973 0.000 -0.551) 2.049 3.163 ( 1.973 0.000 0.551) 2.049 3.201 ( -2.158 0.000 -1.320) 2.529 3.201 ( -2.157 0.000 1.320) 2.529 3.285 ( -0.797 0.000 -1.086) 1.347 3.285 ( -0.797 0.000 1.086) 1.347 3.405 ( -1.526 0.000 -10.674) 10.783 3.405 ( -1.526 0.000 10.674) 10.783 4.534 ( 1.712 0.000 -2.870) 3.342 4.534 ( 1.712 0.000 2.870) 3.342 5.305 ( -2.360 0.000 -3.301) 4.058 5.305 ( -2.360 0.000 3.301) 4.058 5.529 ( 0.684 0.000 -8.586) 8.613 5.529 ( 0.684 0.000 8.586) 8.614 5.721 ( 4.460 0.000 -0.784) 4.528 5.721 ( 4.460 0.000 0.784) 4.528 7.142 ( -0.087 0.000 -1.341) 1.344 7.142 ( -0.087 0.000 1.341) 1.344 7.237 ( -1.158 0.000 -1.825) 2.162 7.237 ( -1.158 0.000 1.825) 2.162 7.515 ( 2.436 0.000 -0.784) 2.559 7.515 ( 2.436 0.000 0.784) 2.559 7.760 ( -3.532 0.000 -1.735) 3.935 7.760 ( -3.532 0.000 1.735) 3.935 7.961 ( 0.337 0.000 -0.522) 0.622 7.961 ( 0.337 0.000 0.522) 0.622 8.040 ( 0.393 0.000 -0.228) 0.455 8.040 ( 0.393 0.000 0.228) 0.455 8.525 ( -2.521 0.000 -2.128) 3.299 8.525 ( -2.521 0.000 2.128) 3.299 8.534 ( 0.130 0.000 -0.131) 0.184 8.534 ( 0.130 0.000 0.131) 0.184 8.554 ( -0.143 0.000 -0.283) 0.317 8.554 ( -0.143 0.000 0.283) 0.317 8.557 ( -1.488 0.000 -0.237) 1.507 8.557 ( -1.488 0.000 0.237) 1.507 10.566 ( 2.516 0.000 -1.947) 3.181 10.566 ( 2.516 0.000 1.947) 3.182 10.772 ( -1.231 0.000 -0.152) 1.240 10.772 ( -1.231 0.000 0.152) 1.240 11.241 ( 0.300 0.000 -0.274) 0.406 11.241 ( 0.300 0.000 0.274) 0.406 11.472 ( 1.206 0.000 -0.119) 1.212 11.472 ( 1.206 0.000 0.119) 1.212 12.419 ( -1.327 0.000 -2.971) 3.254 12.419 ( -1.327 0.000 2.971) 3.254 12.511 ( -2.954 0.000 -0.826) 3.068 12.511 ( -2.954 0.000 0.826) 3.068======================= Grid point 154 (51/72) =======================q-point: ( 0.40 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.916 ( 3.537 0.000 -5.097) 6.204 0.916 ( 3.537 0.000 5.097) 6.204 0.969 ( 1.944 0.000 -11.968) 12.125 0.969 ( 1.944 0.000 11.968) 12.125 1.497 ( -2.087 0.000 -2.218) 3.046 1.497 ( -2.087 0.000 2.218) 3.046 1.623 ( 1.028 0.000 -7.252) 7.325 1.623 ( 1.028 0.000 7.253) 7.325 1.964 ( 5.759 0.000 -10.239) 11.748 1.964 ( 5.759 0.000 10.239) 11.748 2.545 ( -1.376 0.000 -1.801) 2.266 2.545 ( -1.376 0.000 1.801) 2.266 3.141 ( -2.303 0.000 -0.347) 2.329 3.141 ( -2.303 0.000 0.347) 2.329 3.212 ( 2.403 0.000 -0.758) 2.519 3.212 ( 2.403 0.000 0.758) 2.519 3.258 ( -1.726 0.000 -0.940) 1.966 3.258 ( -1.726 0.000 0.940) 1.966 3.383 ( -0.446 0.000 -3.558) 3.586 3.383 ( -0.446 0.000 3.558) 3.586 4.568 ( 1.076 0.000 -1.102) 1.541 4.568 ( 1.076 0.000 1.102) 1.541 5.259 ( -1.442 0.000 -1.041) 1.779 5.259 ( -1.442 0.000 1.041) 1.778 5.542 ( 0.370 0.000 -2.866) 2.889 5.542 ( 0.370 0.000 2.866) 2.889 5.810 ( 2.765 0.000 -0.298) 2.781 5.810 ( 2.765 0.000 0.298) 2.781 7.147 ( 0.439 0.000 -0.594) 0.739 7.147 ( 0.439 0.000 0.594) 0.739 7.209 ( -1.079 0.000 -0.912) 1.412 7.209 ( -1.079 0.000 0.912) 1.412 7.580 ( 3.520 0.000 -1.174) 3.710 7.580 ( 3.520 0.000 1.174) 3.710 7.671 ( -4.332 0.000 -1.570) 4.607 7.671 ( -4.332 0.000 1.570) 4.607 7.968 ( 0.259 0.000 -0.190) 0.321 7.968 ( 0.259 0.000 0.190) 0.321 8.047 ( 0.168 0.000 -0.118) 0.205 8.047 ( 0.168 0.000 0.118) 0.205 8.477 ( -1.218 0.000 -1.498) 1.931 8.477 ( -1.218 0.000 1.498) 1.931 8.538 ( 0.160 0.000 -0.112) 0.195 8.538 ( 0.160 0.000 0.112) 0.195 8.545 ( -0.214 0.000 -0.245) 0.325 8.545 ( -0.214 0.000 0.245) 0.325 8.550 ( -0.181 0.000 -0.160) 0.242 8.550 ( -0.181 0.000 0.160) 0.242 10.602 ( 0.770 0.000 -0.458) 0.896 10.602 ( 0.770 0.000 0.458) 0.896 10.748 ( -0.748 0.000 -0.061) 0.751 10.748 ( -0.748 0.000 0.061) 0.751 11.247 ( 0.210 0.000 -0.104) 0.234 11.247 ( 0.210 0.000 0.104) 0.234 11.494 ( 0.643 0.000 -0.088) 0.649 11.494 ( 0.643 0.000 0.088) 0.649 12.394 ( -0.705 0.000 -1.188) 1.381 12.394 ( -0.705 0.000 1.188) 1.381 12.469 ( -0.946 0.000 -0.662) 1.155 12.469 ( -0.946 0.000 0.663) 1.155======================= Grid point 160 (52/72) =======================q-point: ( 0.00 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.877 ( 0.000 10.542 -0.387) 10.550 0.877 ( 0.000 10.542 0.387) 10.550 1.140 ( 0.000 17.949 -4.144) 18.421 1.140 ( 0.000 17.949 4.144) 18.421 1.566 ( 0.000 17.134 -18.117) 24.936 1.566 ( 0.000 17.133 18.117) 24.935 1.633 ( 0.000 3.178 -4.142) 5.221 1.633 ( 0.000 3.178 4.142) 5.221 2.018 ( 0.000 16.674 -0.787) 16.692 2.018 ( 0.000 16.674 0.787) 16.692 2.571 ( 0.000 0.011 -2.550) 2.550 2.571 ( 0.000 0.011 2.550) 2.550 3.164 ( 0.000 -1.319 -2.261) 2.618 3.164 ( 0.000 -1.319 2.261) 2.618 3.233 ( 0.000 0.636 -0.960) 1.151 3.233 ( 0.000 0.636 0.960) 1.152 3.402 ( 0.000 9.167 -5.155) 10.517 3.402 ( 0.000 9.167 5.155) 10.517 3.584 ( 0.000 13.915 -5.322) 14.898 3.584 ( 0.000 13.915 5.322) 14.898 5.282 ( 0.000 -2.799 -3.519) 4.496 5.282 ( 0.000 -2.799 3.519) 4.496 5.460 ( 0.000 3.526 -13.412) 13.868 5.460 ( 0.000 3.526 13.412) 13.868 5.675 ( 0.000 52.573 -19.338) 56.017 5.675 ( 0.000 52.573 19.338) 56.017 6.194 ( 0.000 42.365 -6.680) 42.888 6.194 ( 0.000 42.365 6.680) 42.888 7.144 ( 0.000 0.184 -1.771) 1.781 7.144 ( 0.000 0.184 1.771) 1.781 7.236 ( 0.000 -1.330 -2.142) 2.522 7.236 ( 0.000 -1.330 2.142) 2.522 7.482 ( 0.000 -0.063 -0.053) 0.083 7.482 ( 0.000 -0.063 0.053) 0.083 7.776 ( 0.000 -2.162 -2.038) 2.971 7.776 ( 0.000 -2.162 2.038) 2.971 7.975 ( 0.000 1.201 -0.550) 1.321 7.975 ( 0.000 1.201 0.550) 1.321 8.144 ( 0.000 8.325 -2.005) 8.563 8.144 ( 0.000 8.325 2.005) 8.563 8.515 ( 0.000 0.243 -0.524) 0.578 8.515 ( 0.000 0.243 0.524) 0.578 8.554 ( 0.000 3.183 -0.935) 3.318 8.554 ( 0.000 3.183 0.935) 3.318 8.625 ( 0.000 5.069 -0.248) 5.075 8.625 ( 0.000 5.069 0.248) 5.075 8.697 ( 0.000 7.720 -0.450) 7.733 8.697 ( 0.000 7.720 0.450) 7.733 10.518 ( 0.000 -0.652 -4.015) 4.068 10.518 ( 0.000 -0.652 4.015) 4.068 10.772 ( 0.000 -1.489 -0.276) 1.515 10.772 ( 0.000 -1.489 0.276) 1.515 11.205 ( 0.000 -2.735 -0.018) 2.735 11.205 ( 0.000 -2.735 0.018) 2.735 11.434 ( 0.000 -2.070 -0.373) 2.103 11.434 ( 0.000 -2.070 0.373) 2.103 12.400 ( 0.000 -3.417 -3.023) 4.563 12.400 ( 0.000 -3.417 3.024) 4.563 12.475 ( 0.000 -5.181 -1.466) 5.384 12.475 ( 0.000 -5.181 1.466) 5.384======================= Grid point 162 (53/72) =======================q-point: ( 0.20 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.960 ( 6.178 9.927 -11.509) 16.406 0.960 ( 6.178 9.926 11.510) 16.406 1.165 ( 2.770 19.451 -3.407) 19.940 1.165 ( 2.770 19.451 3.407) 19.940 1.562 ( -0.733 7.698 -2.301) 8.068 1.562 ( -0.732 7.698 2.302) 8.068 1.675 ( 2.553 8.426 -8.800) 12.448 1.675 ( 2.553 8.426 8.800) 12.448 2.024 ( 1.581 16.926 -6.784) 18.303 2.024 ( 1.581 16.926 6.784) 18.303 2.570 ( -0.186 0.618 -2.112) 2.209 2.570 ( -0.186 0.618 2.112) 2.209 3.151 ( -1.443 -1.676 -2.382) 3.250 3.151 ( -1.443 -1.676 2.382) 3.250 3.217 ( -1.283 -1.063 -1.345) 2.141 3.217 ( -1.283 -1.063 1.345) 2.141 3.400 ( 0.008 11.076 -4.056) 11.795 3.400 ( 0.008 11.076 4.056) 11.795 3.585 ( 0.216 14.813 -4.286) 15.422 3.585 ( 0.216 14.813 4.286) 15.422 5.254 ( -2.164 -2.504 -2.073) 3.905 5.254 ( -2.164 -2.504 2.073) 3.905 5.452 ( -1.509 13.528 -11.370) 17.735 5.452 ( -1.509 13.528 11.370) 17.736 5.629 ( -3.492 47.654 -14.440) 49.916 5.629 ( -3.492 47.653 14.440) 49.916 6.163 ( -1.109 36.163 -1.488) 36.210 6.163 ( -1.109 36.163 1.488) 36.210 7.140 ( -0.119 0.090 -1.252) 1.260 7.140 ( -0.119 0.090 1.252) 1.260 7.224 ( -1.085 -1.190 -1.914) 2.501 7.224 ( -1.085 -1.190 1.914) 2.501 7.509 ( 2.204 -0.346 -0.699) 2.337 7.509 ( 2.204 -0.346 0.699) 2.337 7.738 ( -3.271 -1.884 -2.126) 4.333 7.738 ( -3.271 -1.884 2.126) 4.333 7.991 ( 1.257 1.707 -0.216) 2.131 7.991 ( 1.257 1.707 0.216) 2.131 8.134 ( -0.751 7.483 -1.246) 7.623 8.134 ( -0.751 7.483 1.246) 7.623 8.512 ( -0.239 0.636 -0.522) 0.857 8.512 ( -0.239 0.636 0.522) 0.857 8.542 ( -1.002 3.289 -0.836) 3.539 8.542 ( -1.002 3.289 0.836) 3.538 8.627 ( 0.204 5.147 -0.184) 5.155 8.627 ( 0.204 5.147 0.184) 5.155 8.666 ( -1.956 8.537 -1.616) 8.906 8.666 ( -1.956 8.537 1.616) 8.907 10.550 ( 2.150 -1.343 -2.397) 3.489 10.550 ( 2.150 -1.343 2.397) 3.489 10.757 ( -1.201 -1.438 -0.242) 1.890 10.757 ( -1.201 -1.438 0.242) 1.890 11.210 ( 0.372 -2.709 -0.157) 2.739 11.210 ( 0.372 -2.709 0.157) 2.739 11.447 ( 1.078 -2.222 -0.211) 2.478 11.447 ( 1.078 -2.222 0.211) 2.478 12.386 ( -1.075 -3.066 -2.499) 4.099 12.386 ( -1.075 -3.066 2.499) 4.099 12.458 ( -1.237 -3.871 -1.502) 4.333 12.458 ( -1.237 -3.871 1.502) 4.333======================= Grid point 164 (54/72) =======================q-point: ( 0.40 0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( 2.696 9.741 -8.645) 13.300 1.064 ( 2.696 9.740 8.646) 13.300 1.248 ( 3.277 22.689 -3.870) 23.249 1.248 ( 3.277 22.689 3.870) 23.249 1.564 ( 1.900 4.286 -6.760) 8.227 1.564 ( 1.900 4.286 6.760) 8.227 1.658 ( -3.945 5.584 -5.929) 9.050 1.658 ( -3.945 5.584 5.929) 9.050 2.111 ( 4.683 15.532 -6.484) 17.470 2.111 ( 4.683 15.532 6.484) 17.470 2.555 ( -1.107 1.618 -1.677) 2.580 2.555 ( -1.106 1.618 1.677) 2.580 3.111 ( -1.566 -1.233 -1.252) 2.354 3.111 ( -1.566 -1.233 1.252) 2.354 3.190 ( -0.898 -3.251 -0.541) 3.415 3.190 ( -0.898 -3.251 0.541) 3.415 3.405 ( 0.299 13.001 -1.381) 13.078 3.405 ( 0.299 13.001 1.381) 13.078 3.592 ( 0.268 15.918 -1.626) 16.003 3.592 ( 0.268 15.918 1.626) 16.003 5.214 ( -1.157 -2.509 -0.585) 2.824 5.214 ( -1.157 -2.509 0.585) 2.824 5.393 ( -2.529 39.272 -4.965) 39.665 5.393 ( -2.529 39.272 4.965) 39.665 5.583 ( -0.685 23.842 -3.765) 24.147 5.583 ( -0.685 23.842 3.765) 24.147 6.170 ( 0.853 29.697 -0.345) 29.712 6.170 ( 0.853 29.697 0.345) 29.712 7.145 ( 0.462 0.008 -0.667) 0.811 7.145 ( 0.462 0.008 0.667) 0.811 7.197 ( -1.091 -1.071 -1.019) 1.838 7.197 ( -1.091 -1.071 1.019) 1.838 7.568 ( 3.257 -0.820 -1.236) 3.579 7.568 ( 3.257 -0.820 1.236) 3.579 7.655 ( -4.052 -1.352 -1.785) 4.629 7.655 ( -4.052 -1.352 1.785) 4.629 8.015 ( 0.689 2.656 -0.047) 2.745 8.015 ( 0.689 2.656 0.047) 2.745 8.121 ( -0.309 6.127 -0.301) 6.142 8.121 ( -0.309 6.127 0.301) 6.142 8.509 ( 0.119 1.817 -0.607) 1.920 8.509 ( 0.119 1.817 0.607) 1.920 8.520 ( -0.885 3.052 -0.326) 3.195 8.520 ( -0.885 3.052 0.326) 3.195 8.631 ( 0.113 5.315 -0.067) 5.317 8.631 ( 0.113 5.315 0.067) 5.317 8.639 ( -0.557 8.549 -0.648) 8.592 8.639 ( -0.557 8.549 0.648) 8.592 10.583 ( 0.817 -1.594 -0.665) 1.910 10.583 ( 0.817 -1.594 0.665) 1.910 10.733 ( -0.715 -1.357 -0.102) 1.537 10.733 ( -0.715 -1.357 0.102) 1.537 11.217 ( 0.230 -2.689 -0.080) 2.700 11.217 ( 0.230 -2.689 0.080) 2.700 11.468 ( 0.612 -2.372 -0.059) 2.451 11.468 ( 0.612 -2.372 0.059) 2.451 12.367 ( -0.499 -2.427 -0.981) 2.665 12.367 ( -0.499 -2.427 0.981) 2.665 12.436 ( -0.612 -2.901 -0.707) 3.048 12.436 ( -0.612 -2.901 0.707) 3.048======================= Grid point 170 (55/72) =======================q-point: ( 0.00 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.168 ( 0.000 17.128 -0.750) 17.144 1.168 ( 0.000 17.128 0.750) 17.144 1.404 ( 0.000 10.522 -9.564) 14.219 1.404 ( 0.000 10.522 9.564) 14.219 1.735 ( 0.000 8.608 -4.639) 9.779 1.735 ( 0.000 8.608 4.639) 9.779 2.121 ( 0.000 29.053 -4.621) 29.418 2.121 ( 0.000 29.053 4.621) 29.418 2.443 ( 0.000 22.357 -3.657) 22.654 2.443 ( 0.000 22.357 3.657) 22.654 2.613 ( 0.000 5.031 -1.906) 5.379 2.613 ( 0.000 5.031 1.906) 5.379 3.127 ( 0.000 -2.024 -3.507) 4.049 3.127 ( 0.000 -2.024 3.507) 4.049 3.192 ( 0.000 -2.985 -2.590) 3.953 3.192 ( 0.000 -2.985 2.590) 3.953 3.684 ( 0.000 15.638 -2.619) 15.856 3.684 ( 0.000 15.638 2.619) 15.856 3.907 ( 0.000 16.423 -4.084) 16.923 3.907 ( 0.000 16.423 4.084) 16.923 5.229 ( 0.000 -2.470 -3.348) 4.161 5.229 ( 0.000 -2.470 3.348) 4.161 5.421 ( 0.000 -3.250 -12.161) 12.588 5.421 ( 0.000 -3.250 12.161) 12.588 6.585 ( 0.000 33.593 -6.420) 34.201 6.585 ( 0.000 33.593 6.420) 34.201 6.940 ( 0.000 24.360 -8.234) 25.714 6.940 ( 0.000 24.360 8.234) 25.714 7.183 ( 0.000 3.243 -0.660) 3.309 7.183 ( 0.000 3.243 0.660) 3.309 7.206 ( 0.000 1.571 -0.283) 1.596 7.206 ( 0.000 1.571 0.283) 1.596 7.506 ( 0.000 3.428 -1.197) 3.630 7.506 ( 0.000 3.428 1.197) 3.630 7.725 ( 0.000 -2.435 -2.970) 3.841 7.725 ( 0.000 -2.435 2.970) 3.841 7.989 ( 0.000 0.116 -0.115) 0.163 7.989 ( 0.000 0.116 0.115) 0.163 8.271 ( 0.000 3.345 -4.183) 5.355 8.271 ( 0.000 3.345 4.183) 5.356 8.617 ( 0.000 10.245 -0.372) 10.251 8.617 ( 0.000 10.244 0.372) 10.251 8.679 ( 0.000 8.503 -0.878) 8.548 8.679 ( 0.000 8.503 0.878) 8.548 8.759 ( 0.000 7.861 -0.523) 7.879 8.759 ( 0.000 7.861 0.523) 7.879 8.900 ( 0.000 12.103 -0.810) 12.130 8.900 ( 0.000 12.103 0.810) 12.130 10.501 ( 0.000 -0.916 -3.608) 3.722 10.501 ( 0.000 -0.916 3.608) 3.722 10.730 ( 0.000 -2.446 -0.515) 2.500 10.730 ( 0.000 -2.446 0.515) 2.500 11.136 ( 0.000 -3.775 -0.160) 3.779 11.136 ( 0.000 -3.775 0.160) 3.779 11.376 ( 0.000 -3.381 -0.753) 3.464 11.376 ( 0.000 -3.381 0.753) 3.464 12.312 ( 0.000 -4.469 -2.083) 4.931 12.312 ( 0.000 -4.469 2.083) 4.931 12.387 ( 0.000 -3.864 -2.245) 4.469 12.387 ( 0.000 -3.864 2.245) 4.469======================= Grid point 172 (56/72) =======================q-point: ( 0.20 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.233 ( 5.198 15.939 -7.319) 18.293 1.233 ( 5.198 15.939 7.319) 18.293 1.442 ( 3.301 9.968 -7.612) 12.969 1.442 ( 3.300 9.968 7.613) 12.969 1.717 ( -1.404 8.962 -5.890) 10.815 1.717 ( -1.404 8.961 5.890) 10.815 2.090 ( -3.362 25.087 -1.099) 25.336 2.090 ( -3.362 25.087 1.099) 25.336 2.462 ( 2.194 23.061 -5.201) 23.742 2.462 ( 2.194 23.061 5.201) 23.742 2.627 ( 0.997 5.795 -1.775) 6.142 2.627 ( 0.997 5.795 1.775) 6.142 3.119 ( -0.705 -1.167 -4.150) 4.369 3.119 ( -0.705 -1.167 4.150) 4.369 3.171 ( -1.795 -2.456 -3.179) 4.400 3.171 ( -1.795 -2.456 3.179) 4.400 3.694 ( 0.799 15.589 -2.109) 15.751 3.694 ( 0.799 15.589 2.109) 15.751 3.920 ( 1.068 16.678 -3.424) 17.059 3.920 ( 1.068 16.678 3.424) 17.059 5.204 ( -1.949 -2.279 -1.724) 3.460 5.204 ( -1.950 -2.279 1.724) 3.460 5.431 ( 0.686 -3.339 -8.914) 9.543 5.431 ( 0.686 -3.339 8.914) 9.543 6.605 ( 1.644 34.809 -6.489) 35.447 6.605 ( 1.644 34.809 6.489) 35.447 6.892 ( -3.891 27.465 -5.412) 28.262 6.892 ( -3.891 27.465 5.412) 28.262 7.168 ( -0.749 2.624 -1.272) 3.011 7.168 ( -0.749 2.624 1.272) 3.011 7.202 ( -0.680 1.597 -2.401) 2.962 7.202 ( -0.680 1.597 2.401) 2.962 7.525 ( 1.603 2.962 -1.669) 3.759 7.525 ( 1.603 2.962 1.669) 3.759 7.695 ( -2.557 -1.812 -3.046) 4.370 7.695 ( -2.557 -1.812 3.046) 4.370 8.008 ( 1.520 -0.032 -0.029) 1.520 8.008 ( 1.520 -0.032 0.029) 1.520 8.256 ( -1.233 3.625 -3.146) 4.956 8.256 ( -1.233 3.625 3.146) 4.956 8.612 ( -0.392 9.947 -0.702) 9.979 8.612 ( -0.392 9.947 0.702) 9.979 8.672 ( -0.585 8.673 -0.711) 8.722 8.672 ( -0.585 8.673 0.711) 8.722 8.761 ( 0.134 7.665 -0.295) 7.672 8.761 ( 0.134 7.665 0.295) 7.672 8.885 ( -1.079 12.744 -1.702) 12.903 8.885 ( -1.079 12.744 1.702) 12.903 10.520 ( 1.398 -1.449 -2.657) 3.334 10.520 ( 1.398 -1.449 2.657) 3.334 10.717 ( -1.046 -2.298 -0.451) 2.565 10.717 ( -1.046 -2.298 0.451) 2.565 11.140 ( 0.319 -3.840 -0.172) 3.857 11.140 ( 0.319 -3.840 0.172) 3.857 11.387 ( 0.877 -3.494 -0.529) 3.641 11.387 ( 0.877 -3.494 0.529) 3.641 12.308 ( -0.305 -4.091 -1.805) 4.482 12.308 ( -0.305 -4.091 1.805) 4.482 12.378 ( -0.690 -3.848 -1.972) 4.379 12.378 ( -0.690 -3.848 1.973) 4.379======================= Grid point 174 (57/72) =======================q-point: ( 0.40 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 3.658 15.958 -6.999) 17.805 1.341 ( 3.658 15.958 7.000) 17.806 1.508 ( 1.461 6.325 -6.931) 9.496 1.508 ( 1.461 6.324 6.931) 9.496 1.711 ( 1.526 9.061 -7.599) 11.924 1.711 ( 1.526 9.061 7.599) 11.924 1.984 ( -5.038 22.158 -2.321) 22.842 1.984 ( -5.038 22.158 2.321) 22.842 2.529 ( 2.994 21.954 -3.639) 22.454 2.529 ( 2.994 21.954 3.639) 22.454 2.640 ( -0.008 7.380 -1.481) 7.528 2.640 ( -0.008 7.380 1.481) 7.528 3.101 ( -0.707 0.540 -2.864) 2.999 3.101 ( -0.707 0.540 2.864) 2.999 3.133 ( -1.246 -1.851 -2.317) 3.217 3.133 ( -1.246 -1.851 2.317) 3.216 3.710 ( 0.486 15.462 -0.798) 15.490 3.710 ( 0.486 15.462 0.798) 15.490 3.942 ( 0.711 17.068 -1.392) 17.140 3.942 ( 0.711 17.068 1.392) 17.140 5.167 ( -1.128 -2.026 -0.310) 2.340 5.167 ( -1.128 -2.026 0.310) 2.340 5.442 ( 0.286 -3.378 -3.061) 4.568 5.442 ( 0.286 -3.378 3.061) 4.568 6.637 ( 0.894 40.135 -4.044) 40.348 6.637 ( 0.894 40.135 4.044) 40.348 6.816 ( -2.238 28.027 -0.651) 28.124 6.816 ( -2.238 28.027 0.651) 28.124 7.163 ( 0.268 1.072 -1.281) 1.691 7.163 ( 0.268 1.072 1.281) 1.691 7.181 ( -0.988 2.542 -1.801) 3.268 7.181 ( -0.988 2.542 1.801) 3.268 7.569 ( 2.478 1.712 -2.389) 3.845 7.569 ( 2.478 1.712 2.389) 3.845 7.630 ( -3.173 -0.282 -2.907) 4.312 7.630 ( -3.173 -0.282 2.907) 4.312 8.038 ( 0.950 -0.195 -0.070) 0.973 8.038 ( 0.950 -0.195 0.071) 0.973 8.232 ( -0.724 3.867 -1.061) 4.075 8.232 ( -0.724 3.867 1.061) 4.075 8.603 ( -0.299 9.325 -0.418) 9.339 8.603 ( -0.299 9.325 0.418) 9.339 8.661 ( -0.298 9.021 -0.323) 9.032 8.661 ( -0.298 9.021 0.323) 9.032 8.764 ( 0.123 7.499 -0.075) 7.500 8.764 ( 0.123 7.499 0.075) 7.500 8.867 ( -0.457 13.310 -0.854) 13.345 8.867 ( -0.457 13.310 0.854) 13.345 10.545 ( 0.715 -1.945 -0.908) 2.263 10.545 ( 0.715 -1.945 0.908) 2.263 10.697 ( -0.631 -2.098 -0.201) 2.200 10.697 ( -0.631 -2.098 0.201) 2.200 11.146 ( 0.192 -3.945 -0.077) 3.950 11.146 ( 0.192 -3.945 0.077) 3.950 11.404 ( 0.524 -3.655 -0.157) 3.696 11.404 ( 0.524 -3.655 0.157) 3.696 12.303 ( -0.104 -3.531 -0.818) 3.626 12.303 ( -0.104 -3.531 0.818) 3.626 12.364 ( -0.480 -3.877 -0.906) 4.011 12.364 ( -0.480 -3.877 0.906) 4.011======================= Grid point 180 (58/72) =======================q-point: ( 0.00 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.549 ( 0.000 18.675 -0.051) 18.675 1.549 ( 0.000 18.675 0.051) 18.675 1.645 ( 0.000 13.604 -7.103) 15.347 1.645 ( 0.000 13.604 7.103) 15.347 1.980 ( 0.000 14.113 -0.759) 14.133 1.980 ( 0.000 14.113 0.760) 14.133 2.538 ( 0.000 9.938 -1.880) 10.114 2.538 ( 0.000 9.938 1.880) 10.114 2.789 ( 0.000 13.676 -0.083) 13.676 2.789 ( 0.000 13.676 0.083) 13.676 2.918 ( 0.000 17.103 -2.161) 17.239 2.918 ( 0.000 17.103 2.161) 17.239 3.071 ( 0.000 -2.910 -3.679) 4.691 3.071 ( 0.000 -2.910 3.679) 4.691 3.194 ( 0.000 7.535 -4.559) 8.806 3.194 ( 0.000 7.535 4.559) 8.806 3.992 ( 0.000 13.645 -1.245) 13.702 3.992 ( 0.000 13.645 1.245) 13.702 4.224 ( 0.000 13.606 -4.215) 14.244 4.224 ( 0.000 13.605 4.215) 14.244 5.180 ( 0.000 -2.299 -4.152) 4.746 5.180 ( 0.000 -2.299 4.152) 4.746 5.341 ( 0.000 -4.362 -10.836) 11.681 5.341 ( 0.000 -4.362 10.836) 11.681 6.938 ( 0.000 4.306 -1.973) 4.736 6.938 ( 0.000 4.306 1.973) 4.736 7.126 ( 0.000 -2.008 -0.934) 2.215 7.126 ( 0.000 -2.008 0.934) 2.215 7.242 ( 0.000 5.583 -3.888) 6.803 7.242 ( 0.000 5.583 3.888) 6.803 7.414 ( 0.000 6.842 -2.540) 7.298 7.414 ( 0.000 6.842 2.540) 7.298 7.689 ( 0.000 12.489 -2.390) 12.716 7.689 ( 0.000 12.489 2.390) 12.716 7.715 ( 0.000 3.874 -3.892) 5.491 7.715 ( 0.000 3.874 3.892) 5.491 7.986 ( 0.000 -0.142 -0.110) 0.179 7.986 ( 0.000 -0.142 0.110) 0.179 8.345 ( 0.000 4.958 -4.694) 6.828 8.345 ( 0.000 4.958 4.694) 6.828 8.867 ( 0.000 10.610 -0.052) 10.610 8.867 ( 0.000 10.610 0.052) 10.610 8.899 ( 0.000 13.480 -0.628) 13.495 8.899 ( 0.000 13.480 0.628) 13.495 8.952 ( 0.000 12.089 -1.732) 12.213 8.952 ( 0.000 12.089 1.732) 12.213 9.205 ( 0.000 17.641 -1.449) 17.700 9.205 ( 0.000 17.641 1.449) 17.700 10.482 ( 0.000 -0.972 -3.011) 3.164 10.482 ( 0.000 -0.972 3.011) 3.164 10.676 ( 0.000 -2.685 -0.840) 2.813 10.676 ( 0.000 -2.685 0.840) 2.813 11.057 ( 0.000 -3.694 -0.395) 3.716 11.057 ( 0.000 -3.694 0.395) 3.716 11.301 ( 0.000 -3.786 -1.236) 3.983 11.301 ( 0.000 -3.786 1.236) 3.983 12.226 ( 0.000 -3.790 -1.675) 4.144 12.226 ( 0.000 -3.790 1.675) 4.144 12.309 ( 0.000 -3.662 -1.972) 4.159 12.309 ( 0.000 -3.662 1.972) 4.159======================= Grid point 182 (59/72) =======================q-point: ( 0.20 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.582 ( 2.804 16.678 -2.358) 17.075 1.582 ( 2.804 16.678 2.358) 17.075 1.672 ( 2.269 13.540 -7.152) 15.480 1.672 ( 2.269 13.540 7.152) 15.480 1.966 ( -1.137 14.332 -2.986) 14.684 1.966 ( -1.137 14.332 2.986) 14.684 2.461 ( -6.129 10.084 -2.563) 12.075 2.461 ( -6.129 10.084 2.563) 12.075 2.808 ( 1.475 11.433 -1.428) 11.616 2.808 ( 1.475 11.433 1.428) 11.616 2.915 ( -0.191 14.918 -1.839) 15.033 2.915 ( -0.191 14.918 1.839) 15.033 3.107 ( 2.489 0.743 -4.478) 5.177 3.107 ( 2.489 0.743 4.478) 5.177 3.187 ( -0.452 8.432 -5.008) 9.817 3.187 ( -0.452 8.432 5.008) 9.817 4.000 ( 0.569 13.477 -1.046) 13.530 4.000 ( 0.569 13.477 1.046) 13.530 4.238 ( 1.187 13.543 -3.524) 14.044 4.238 ( 1.187 13.543 3.524) 14.044 5.159 ( -1.611 -2.078 -2.382) 3.548 5.159 ( -1.611 -2.078 2.382) 3.548 5.350 ( 0.615 -4.357 -7.858) 9.006 5.350 ( 0.615 -4.357 7.858) 9.006 6.957 ( 1.729 3.888 -1.666) 4.570 6.957 ( 1.729 3.888 1.666) 4.570 7.117 ( -0.925 -1.459 -1.318) 2.173 7.117 ( -0.925 -1.459 1.318) 2.173 7.234 ( -0.662 5.436 -3.557) 6.530 7.234 ( -0.662 5.436 3.557) 6.530 7.407 ( -0.627 7.154 -2.083) 7.478 7.407 ( -0.627 7.154 2.083) 7.478 7.674 ( -1.024 8.042 -0.858) 8.152 7.674 ( -1.024 8.042 0.858) 8.152 7.727 ( 0.801 9.039 -2.073) 9.308 7.727 ( 0.801 9.039 2.073) 9.308 8.000 ( 1.144 -0.439 -0.138) 1.233 8.000 ( 1.144 -0.439 0.138) 1.233 8.335 ( -0.835 5.132 -3.733) 6.401 8.335 ( -0.835 5.132 3.733) 6.401 8.868 ( 0.084 10.889 -0.059) 10.890 8.868 ( 0.084 10.889 0.059) 10.890 8.894 ( -0.476 14.322 -0.479) 14.338 8.894 ( -0.476 14.322 0.479) 14.338 8.945 ( -0.485 11.335 -1.026) 11.392 8.945 ( -0.485 11.335 1.027) 11.392 9.200 ( -0.450 17.944 -1.581) 18.019 9.200 ( -0.450 17.944 1.581) 18.019 10.492 ( 0.808 -1.257 -2.402) 2.829 10.492 ( 0.808 -1.257 2.402) 2.829 10.667 ( -0.767 -2.492 -0.739) 2.710 10.667 ( -0.767 -2.492 0.739) 2.710 11.060 ( 0.208 -3.754 -0.351) 3.777 11.060 ( 0.208 -3.754 0.351) 3.777 11.309 ( 0.696 -3.911 -0.951) 4.085 11.309 ( 0.696 -3.911 0.951) 4.085 12.227 ( 0.064 -3.675 -1.544) 3.987 12.227 ( 0.064 -3.675 1.544) 3.987 12.300 ( -0.729 -3.671 -1.804) 4.155 12.300 ( -0.729 -3.671 1.804) 4.155======================= Grid point 184 (60/72) =======================q-point: ( 0.40 0.21 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 2.903 12.283 -3.594) 13.123 1.650 ( 2.903 12.283 3.594) 13.123 1.710 ( 0.464 14.473 -6.206) 15.754 1.710 ( 0.464 14.473 6.206) 15.754 1.949 ( -0.078 14.190 -3.432) 14.599 1.949 ( -0.078 14.190 3.432) 14.599 2.333 ( -4.294 11.053 -1.876) 12.005 2.333 ( -4.294 11.053 1.877) 12.005 2.840 ( 1.202 9.623 -1.072) 9.757 2.840 ( 1.202 9.623 1.072) 9.757 2.908 ( -0.422 11.107 -0.810) 11.145 2.908 ( -0.422 11.107 0.810) 11.145 3.147 ( 0.884 5.443 -2.838) 6.202 3.147 ( 0.884 5.443 2.838) 6.202 3.183 ( 0.054 9.460 -3.126) 9.963 3.183 ( 0.054 9.460 3.126) 9.963 4.011 ( 0.338 13.215 -0.421) 13.226 4.011 ( 0.338 13.215 0.421) 13.226 4.263 ( 0.774 13.422 -1.426) 13.519 4.263 ( 0.774 13.422 1.426) 13.519 5.128 ( -0.935 -1.713 -0.530) 2.022 5.128 ( -0.935 -1.713 0.530) 2.022 5.360 ( 0.280 -4.334 -2.662) 5.094 5.360 ( 0.280 -4.334 2.662) 5.094 7.002 ( 2.015 2.929 -0.788) 3.642 7.002 ( 2.015 2.929 0.788) 3.642 7.087 ( -1.610 0.044 -0.721) 1.764 7.087 ( -1.610 0.044 0.721) 1.764 7.223 ( -0.262 4.811 -1.554) 5.063 7.223 ( -0.262 4.811 1.554) 5.063 7.394 ( -0.408 7.490 -0.827) 7.547 7.394 ( -0.408 7.490 0.827) 7.547 7.655 ( -0.594 7.205 -0.196) 7.232 7.655 ( -0.594 7.205 0.196) 7.232 7.741 ( 0.391 11.289 -0.650) 11.314 7.741 ( 0.391 11.289 0.650) 11.314 8.023 ( 0.735 -0.899 -0.087) 1.164 8.023 ( 0.735 -0.899 0.087) 1.164 8.318 ( -0.534 5.406 -1.385) 5.606 8.318 ( -0.534 5.406 1.385) 5.606 8.870 ( 0.089 11.155 -0.024) 11.156 8.870 ( 0.089 11.156 0.024) 11.156 8.881 ( -0.522 15.805 -0.298) 15.816 8.881 ( -0.522 15.805 0.298) 15.816 8.938 ( -0.098 10.127 -0.118) 10.128 8.938 ( -0.098 10.127 0.118) 10.128 9.191 ( -0.232 18.315 -0.762) 18.332 9.191 ( -0.232 18.315 0.762) 18.332 10.508 ( 0.497 -1.619 -0.917) 1.926 10.508 ( 0.497 -1.619 0.917) 1.926 10.651 ( -0.487 -2.213 -0.332) 2.290 10.651 ( -0.487 -2.213 0.332) 2.290 11.064 ( 0.122 -3.851 -0.144) 3.856 11.064 ( 0.122 -3.851 0.144) 3.856 11.323 ( 0.423 -4.103 -0.334) 4.138 11.323 ( 0.423 -4.103 0.334) 4.138 12.229 ( 0.151 -3.462 -0.822) 3.562 12.229 ( 0.151 -3.462 0.822) 3.562 12.284 ( -0.559 -3.723 -0.933) 3.878 12.284 ( -0.559 -3.723 0.933) 3.878======================= Grid point 190 (61/72) =======================q-point: ( 0.00 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 0.000 12.608 -1.954) 12.759 1.872 ( 0.000 12.608 1.955) 12.759 1.975 ( 0.000 16.197 -0.506) 16.205 1.975 ( 0.000 16.197 0.506) 16.205 2.277 ( 0.000 14.030 -4.717) 14.802 2.277 ( 0.000 14.030 4.717) 14.802 2.659 ( 0.000 3.564 -0.571) 3.609 2.659 ( 0.000 3.564 0.571) 3.609 2.945 ( 0.000 1.919 -0.465) 1.974 2.945 ( 0.000 1.919 0.466) 1.975 3.050 ( 0.000 1.664 -1.394) 2.171 3.050 ( 0.000 1.664 1.394) 2.171 3.139 ( 0.000 9.249 -0.920) 9.295 3.139 ( 0.000 9.249 0.920) 9.295 3.555 ( 0.000 20.331 -6.645) 21.389 3.555 ( 0.000 20.331 6.645) 21.389 4.230 ( 0.000 9.164 -0.517) 9.179 4.230 ( 0.000 9.164 0.517) 9.179 4.444 ( 0.000 7.443 -3.342) 8.159 4.444 ( 0.000 7.443 3.342) 8.159 5.127 ( 0.000 -3.415 -6.361) 7.220 5.127 ( 0.000 -3.415 6.361) 7.220 5.259 ( 0.000 -2.696 -7.216) 7.703 5.259 ( 0.000 -2.696 7.216) 7.703 6.965 ( 0.000 -0.074 -0.877) 0.880 6.965 ( 0.000 -0.074 0.877) 0.880 7.077 ( 0.000 -2.285 -1.140) 2.554 7.077 ( 0.000 -2.285 1.140) 2.554 7.293 ( 0.000 0.554 -2.933) 2.985 7.293 ( 0.000 0.554 2.933) 2.985 7.432 ( 0.000 -2.207 -0.003) 2.207 7.432 ( 0.000 -2.207 0.003) 2.207 7.785 ( 0.000 3.480 -3.013) 4.603 7.785 ( 0.000 3.480 3.013) 4.603 7.934 ( 0.000 7.266 -2.423) 7.660 7.934 ( 0.000 7.266 2.423) 7.660 8.002 ( 0.000 2.419 -1.466) 2.829 8.002 ( 0.000 2.419 1.466) 2.829 8.454 ( 0.000 4.226 -2.941) 5.148 8.454 ( 0.000 4.226 2.941) 5.148 9.066 ( 0.000 9.087 -0.116) 9.087 9.066 ( 0.000 9.087 0.116) 9.087 9.131 ( 0.000 10.123 -0.371) 10.130 9.131 ( 0.000 10.123 0.371) 10.130 9.303 ( 0.000 19.403 -1.798) 19.486 9.303 ( 0.000 19.403 1.798) 19.486 9.606 ( 0.000 20.067 -0.813) 20.083 9.606 ( 0.000 20.067 0.813) 20.083 10.462 ( 0.000 -0.963 -2.245) 2.443 10.462 ( 0.000 -0.963 2.245) 2.443 10.624 ( 0.000 -2.318 -1.144) 2.585 10.624 ( 0.000 -2.318 1.144) 2.585 10.991 ( 0.000 -2.596 -0.808) 2.719 10.991 ( 0.000 -2.596 0.808) 2.719 11.224 ( 0.000 -3.567 -1.714) 3.957 11.224 ( 0.000 -3.567 1.714) 3.957 12.159 ( 0.000 -2.734 -1.553) 3.144 12.159 ( 0.000 -2.734 1.553) 3.144 12.238 ( 0.000 -3.087 -1.471) 3.420 12.238 ( 0.000 -3.087 1.471) 3.420======================= Grid point 192 (62/72) =======================q-point: ( 0.20 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.878 ( 0.579 12.113 -1.925) 12.279 1.878 ( 0.579 12.113 1.925) 12.279 1.983 ( 0.436 14.108 -4.024) 14.677 1.983 ( 0.436 14.108 4.024) 14.677 2.274 ( -0.016 15.097 -5.007) 15.906 2.274 ( -0.016 15.097 5.007) 15.906 2.594 ( -4.950 4.601 -1.848) 7.006 2.594 ( -4.950 4.601 1.848) 7.006 2.949 ( 0.439 3.537 -1.179) 3.754 2.949 ( 0.439 3.537 1.179) 3.754 3.035 ( -1.087 2.055 -1.280) 2.654 3.035 ( -1.087 2.055 1.280) 2.654 3.216 ( 5.877 8.479 -2.190) 10.546 3.216 ( 5.877 8.479 2.190) 10.546 3.531 ( -2.185 18.667 -5.877) 19.691 3.531 ( -2.185 18.667 5.877) 19.691 4.233 ( 0.262 8.942 -0.466) 8.958 4.233 ( 0.262 8.942 0.466) 8.958 4.456 ( 0.966 7.285 -2.720) 7.836 4.456 ( 0.966 7.285 2.720) 7.836 5.115 ( -0.923 -2.502 -4.619) 5.334 5.115 ( -0.923 -2.502 4.619) 5.334 5.265 ( 0.452 -3.215 -5.265) 6.186 5.265 ( 0.452 -3.215 5.265) 6.186 6.979 ( 1.287 -0.211 -0.806) 1.533 6.979 ( 1.287 -0.211 0.806) 1.533 7.073 ( -0.400 -2.161 -1.107) 2.461 7.073 ( -0.400 -2.161 1.107) 2.461 7.281 ( -1.002 0.431 -2.550) 2.774 7.281 ( -1.002 0.431 2.550) 2.774 7.429 ( -0.255 -1.853 -0.163) 1.877 7.429 ( -0.255 -1.853 0.163) 1.877 7.785 ( 0.056 3.851 -2.370) 4.522 7.785 ( 0.056 3.851 2.370) 4.522 7.941 ( 0.530 7.261 -1.750) 7.488 7.941 ( 0.530 7.261 1.750) 7.488 8.007 ( 0.443 1.740 -1.070) 2.090 8.007 ( 0.443 1.740 1.070) 2.090 8.445 ( -0.765 4.162 -2.345) 4.838 8.445 ( -0.765 4.162 2.345) 4.838 9.072 ( 0.580 9.271 -0.071) 9.289 9.072 ( 0.580 9.271 0.071) 9.289 9.126 ( -0.449 9.962 -0.458) 9.983 9.126 ( -0.449 9.962 0.458) 9.983 9.302 ( -0.121 19.926 -1.497) 19.983 9.302 ( -0.121 19.926 1.497) 19.983 9.604 ( -0.202 20.090 -0.746) 20.105 9.604 ( -0.202 20.090 0.746) 20.105 10.468 ( 0.548 -1.022 -1.885) 2.213 10.468 ( 0.548 -1.022 1.885) 2.213 10.618 ( -0.475 -2.159 -1.031) 2.439 10.618 ( -0.475 -2.159 1.031) 2.439 10.993 ( 0.147 -2.604 -0.706) 2.702 10.993 ( 0.147 -2.604 0.706) 2.702 11.229 ( 0.427 -3.776 -1.382) 4.044 11.229 ( 0.427 -3.776 1.382) 4.044 12.160 ( 0.184 -2.689 -1.411) 3.043 12.160 ( 0.184 -2.689 1.412) 3.043 12.230 ( -0.704 -3.043 -1.367) 3.409 12.230 ( -0.704 -3.043 1.367) 3.409======================= Grid point 194 (63/72) =======================q-point: ( 0.40 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( 0.871 11.151 -1.424) 11.275 1.896 ( 0.871 11.151 1.424) 11.275 1.981 ( -0.491 10.319 -3.221) 10.821 1.981 ( -0.491 10.319 3.221) 10.821 2.285 ( 0.791 17.555 -2.967) 17.822 2.285 ( 0.791 17.556 2.967) 17.822 2.497 ( -3.100 6.372 -1.221) 7.191 2.497 ( -3.100 6.372 1.221) 7.191 2.961 ( 0.550 4.048 -0.985) 4.203 2.961 ( 0.550 4.048 0.985) 4.203 3.012 ( -0.869 2.403 -0.904) 2.711 3.012 ( -0.869 2.403 0.904) 2.711 3.345 ( 5.484 10.969 -2.843) 12.589 3.345 ( 5.484 10.969 2.843) 12.589 3.465 ( -3.780 14.393 -4.069) 15.427 3.465 ( -3.780 14.393 4.069) 15.427 4.238 ( 0.159 8.610 -0.202) 8.613 4.238 ( 0.159 8.610 0.202) 8.613 4.475 ( 0.591 6.920 -1.053) 7.024 4.475 ( 0.591 6.920 1.053) 7.024 5.098 ( -0.525 -1.209 -1.563) 2.045 5.098 ( -0.525 -1.209 1.563) 2.045 5.273 ( 0.225 -3.819 -1.779) 4.219 5.273 ( 0.225 -3.819 1.779) 4.219 7.013 ( 1.551 -0.545 -0.539) 1.730 7.013 ( 1.551 -0.545 0.539) 1.730 7.057 ( -0.982 -1.821 -0.701) 2.184 7.057 ( -0.982 -1.821 0.701) 2.184 7.261 ( -0.617 0.228 -1.097) 1.279 7.261 ( -0.617 0.228 1.097) 1.279 7.424 ( -0.180 -1.279 -0.095) 1.296 7.424 ( -0.180 -1.279 0.095) 1.296 7.787 ( 0.060 4.352 -0.878) 4.440 7.787 ( 0.060 4.352 0.878) 4.440 7.950 ( 0.242 7.232 -0.559) 7.257 7.950 ( 0.242 7.232 0.559) 7.257 8.017 ( 0.348 0.746 -0.336) 0.889 8.017 ( 0.348 0.746 0.336) 0.889 8.429 ( -0.492 4.059 -0.874) 4.181 8.429 ( -0.492 4.059 0.874) 4.181 9.087 ( 0.722 9.891 -0.213) 9.919 9.087 ( 0.722 9.891 0.213) 9.919 9.113 ( -0.658 9.419 -0.395) 9.450 9.113 ( -0.658 9.419 0.395) 9.450 9.300 ( -0.056 20.741 -0.600) 20.749 9.300 ( -0.056 20.741 0.600) 20.749 9.600 ( -0.122 20.103 -0.334) 20.106 9.600 ( -0.122 20.103 0.334) 20.106 10.480 ( 0.378 -1.090 -0.785) 1.395 10.480 ( 0.378 -1.090 0.785) 1.395 10.608 ( -0.327 -1.927 -0.479) 2.012 10.608 ( -0.327 -1.927 0.479) 2.012 10.996 ( 0.085 -2.611 -0.295) 2.629 10.996 ( 0.085 -2.611 0.295) 2.629 11.238 ( 0.265 -4.109 -0.524) 4.150 11.238 ( 0.265 -4.109 0.524) 4.150 12.166 ( 0.250 -2.613 -0.757) 2.732 12.166 ( 0.250 -2.613 0.757) 2.732 12.214 ( -0.572 -2.975 -0.754) 3.122 12.214 ( -0.572 -2.975 0.754) 3.122======================= Grid point 200 (64/72) =======================q-point: ( 0.00 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 63Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.072 ( 0.000 6.556 -1.859) 6.815 2.072 ( 0.000 6.556 1.859) 6.815 2.183 ( 0.000 2.327 -1.520) 2.779 2.183 ( 0.000 2.327 1.520) 2.779 2.555 ( 0.000 13.329 -4.783) 14.161 2.555 ( 0.000 13.329 4.783) 14.161 2.755 ( 0.000 7.122 -1.798) 7.346 2.755 ( 0.000 7.122 1.798) 7.346 3.020 ( 0.000 5.370 -1.453) 5.563 3.020 ( 0.000 5.370 1.453) 5.563 3.096 ( 0.000 3.038 -1.865) 3.565 3.096 ( 0.000 3.038 1.865) 3.565 3.308 ( 0.000 6.595 -1.575) 6.781 3.308 ( 0.000 6.595 1.576) 6.781 3.905 ( 0.000 12.902 -4.961) 13.823 3.905 ( 0.000 12.902 4.961) 13.823 4.366 ( 0.000 4.192 -0.777) 4.264 4.366 ( 0.000 4.192 0.777) 4.264 4.536 ( 0.000 2.055 -0.830) 2.216 4.536 ( 0.000 2.055 0.830) 2.216 5.026 ( 0.000 -5.872 -8.016) 9.937 5.026 ( 0.000 -5.872 8.016) 9.937 5.251 ( 0.000 1.430 -2.565) 2.937 5.251 ( 0.000 1.430 2.565) 2.937 6.956 ( 0.000 -0.587 -0.532) 0.792 6.956 ( 0.000 -0.587 0.532) 0.792 7.039 ( 0.000 -1.333 -0.722) 1.516 7.039 ( 0.000 -1.333 0.722) 1.516 7.289 ( 0.000 -0.721 -0.559) 0.912 7.289 ( 0.000 -0.721 0.559) 0.912 7.384 ( 0.000 -1.954 -0.673) 2.067 7.384 ( 0.000 -1.954 0.673) 2.067 7.850 ( 0.000 3.166 -2.690) 4.155 7.850 ( 0.000 3.166 2.690) 4.155 8.025 ( 0.000 3.804 -1.636) 4.141 8.025 ( 0.000 3.804 1.636) 4.141 8.067 ( 0.000 2.256 -2.056) 3.052 8.067 ( 0.000 2.256 2.056) 3.052 8.486 ( 0.000 -1.164 -1.275) 1.726 8.486 ( 0.000 -1.164 1.275) 1.726 9.240 ( 0.000 7.631 -0.057) 7.631 9.240 ( 0.000 7.631 0.057) 7.631 9.321 ( 0.000 8.091 -0.100) 8.092 9.321 ( 0.000 8.091 0.100) 8.092 9.691 ( 0.000 17.330 -0.634) 17.342 9.691 ( 0.000 17.330 0.634) 17.342 9.977 ( 0.000 14.718 -0.735) 14.736 9.977 ( 0.000 14.718 0.735) 14.736 10.445 ( 0.000 -0.518 -1.362) 1.457 10.445 ( 0.000 -0.518 1.362) 1.457 10.583 ( 0.000 -1.561 -1.306) 2.036 10.583 ( 0.000 -1.561 1.306) 2.036 10.954 ( 0.000 -0.919 -1.302) 1.594 10.954 ( 0.000 -0.919 1.302) 1.594 11.156 ( 0.000 -3.008 -1.995) 3.609 11.156 ( 0.000 -3.008 1.995) 3.609 12.115 ( 0.000 -1.488 -1.281) 1.963 12.115 ( 0.000 -1.488 1.281) 1.963 12.184 ( 0.000 -2.204 -0.923) 2.389 12.184 ( 0.000 -2.204 0.923) 2.389======================= Grid point 202 (65/72) =======================q-point: ( 0.20 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( -0.190 6.192 -1.676) 6.418 2.070 ( -0.190 6.192 1.676) 6.418 2.160 ( -1.899 2.357 -1.493) 3.374 2.160 ( -1.899 2.356 1.493) 3.374 2.569 ( 1.285 13.052 -4.109) 13.744 2.569 ( 1.285 13.052 4.109) 13.744 2.722 ( -2.514 8.701 -1.707) 9.217 2.722 ( -2.514 8.701 1.707) 9.217 3.039 ( 1.212 5.357 -1.392) 5.666 3.039 ( 1.212 5.357 1.392) 5.666 3.086 ( -0.753 3.344 -1.519) 3.750 3.086 ( -0.753 3.344 1.519) 3.750 3.374 ( 5.864 6.267 -1.231) 8.671 3.374 ( 5.864 6.267 1.231) 8.671 3.852 ( -4.814 11.877 -4.302) 13.519 3.852 ( -4.814 11.877 4.302) 13.519 4.364 ( -0.175 3.842 -0.596) 3.892 4.364 ( -0.175 3.842 0.596) 3.892 4.540 ( 0.334 1.307 -0.711) 1.525 4.540 ( 0.334 1.307 0.711) 1.525 5.044 ( 1.562 -4.111 -7.085) 8.339 5.044 ( 1.562 -4.111 7.085) 8.339 5.239 ( -1.081 0.502 -2.731) 2.980 5.239 ( -1.081 0.502 2.731) 2.980 6.969 ( 1.086 -0.666 -0.532) 1.380 6.969 ( 1.086 -0.666 0.532) 1.380 7.036 ( -0.285 -1.328 -0.719) 1.537 7.036 ( -0.285 -1.328 0.719) 1.537 7.279 ( -0.768 -0.285 -0.885) 1.206 7.279 ( -0.768 -0.285 0.885) 1.206 7.386 ( 0.125 -1.962 -0.684) 2.082 7.386 ( 0.125 -1.962 0.684) 2.082 7.853 ( 0.282 3.209 -2.199) 3.901 7.853 ( 0.282 3.209 2.199) 3.901 8.030 ( 0.399 3.580 -1.290) 3.826 8.030 ( 0.399 3.580 1.290) 3.826 8.064 ( -0.226 2.133 -1.716) 2.747 8.064 ( -0.226 2.133 1.716) 2.747 8.476 ( -0.860 -1.188 -1.032) 1.793 8.476 ( -0.860 -1.188 1.032) 1.793 9.249 ( 0.773 7.670 -0.060) 7.709 9.249 ( 0.773 7.670 0.060) 7.709 9.315 ( -0.615 8.043 -0.182) 8.068 9.315 ( -0.615 8.043 0.182) 8.068 9.697 ( 0.481 17.528 -0.554) 17.544 9.697 ( 0.481 17.528 0.554) 17.544 9.973 ( -0.289 14.644 -0.608) 14.660 9.973 ( -0.289 14.644 0.608) 14.660 10.452 ( 0.612 -0.407 -1.239) 1.440 10.452 ( 0.612 -0.407 1.239) 1.440 10.580 ( -0.294 -1.500 -1.215) 1.952 10.580 ( -0.294 -1.500 1.215) 1.952 10.957 ( 0.219 -0.824 -1.152) 1.434 10.957 ( 0.219 -0.824 1.152) 1.434 11.156 ( -0.010 -3.318 -1.673) 3.716 11.156 ( -0.010 -3.318 1.673) 3.716 12.118 ( 0.245 -1.453 -1.140) 1.864 12.118 ( 0.245 -1.453 1.140) 1.864 12.177 ( -0.592 -2.123 -0.865) 2.368 12.177 ( -0.592 -2.123 0.865) 2.368======================= Grid point 204 (66/72) =======================q-point: ( 0.40 0.36 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 105Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.068 ( 0.105 5.066 -0.963) 5.157 2.068 ( 0.105 5.066 0.963) 5.157 2.119 ( -1.393 3.226 -0.923) 3.633 2.119 ( -1.393 3.226 0.923) 3.633 2.607 ( 2.115 11.101 -2.684) 11.615 2.607 ( 2.115 11.101 2.684) 11.615 2.666 ( -2.529 11.985 -1.747) 12.373 2.666 ( -2.529 11.985 1.747) 12.373 3.058 ( 0.571 4.804 -1.034) 4.947 3.058 ( 0.571 4.804 1.034) 4.947 3.070 ( -0.600 4.347 -1.027) 4.506 3.070 ( -0.600 4.347 1.027) 4.506 3.534 ( 8.433 7.094 -1.273) 11.093 3.534 ( 8.433 7.094 1.273) 11.093 3.713 ( -7.785 9.352 -2.765) 12.478 3.713 ( -7.785 9.352 2.766) 12.478 4.361 ( -0.064 3.414 -0.216) 3.421 4.361 ( -0.064 3.414 0.216) 3.421 4.546 ( 0.125 0.144 -0.289) 0.346 4.546 ( 0.125 0.144 0.289) 0.346 5.079 ( 1.258 -0.570 -3.485) 3.749 5.079 ( 1.258 -0.570 3.485) 3.749 5.213 ( -0.967 -1.851 -1.854) 2.792 5.213 ( -0.967 -1.851 1.854) 2.792 6.997 ( 1.373 -0.856 -0.479) 1.687 6.997 ( 1.373 -0.856 0.479) 1.687 7.024 ( -0.860 -1.283 -0.579) 1.650 7.024 ( -0.860 -1.283 0.579) 1.650 7.264 ( -0.464 0.382 -0.491) 0.776 7.264 ( -0.464 0.382 0.491) 0.776 7.388 ( 0.057 -1.909 -0.304) 1.934 7.388 ( 0.057 -1.909 0.304) 1.934 7.859 ( 0.179 3.281 -0.859) 3.397 7.859 ( 0.179 3.281 0.859) 3.397 8.037 ( 0.242 3.216 -0.470) 3.260 8.037 ( 0.242 3.216 0.470) 3.260 8.060 ( -0.135 1.925 -0.688) 2.049 8.060 ( -0.134 1.925 0.688) 2.049 8.458 ( -0.545 -1.219 -0.395) 1.393 8.458 ( -0.545 -1.219 0.395) 1.393 9.271 ( 1.193 7.777 -0.117) 7.869 9.271 ( 1.193 7.777 0.117) 7.869 9.296 ( -1.099 7.927 -0.195) 8.006 9.296 ( -1.099 7.927 0.195) 8.006 9.707 ( 0.309 17.853 -0.239) 17.858 9.707 ( 0.309 17.853 0.239) 17.858 9.967 ( -0.189 14.514 -0.242) 14.517 9.967 ( -0.189 14.514 0.242) 14.517 10.465 ( 0.442 -0.189 -0.595) 0.765 10.465 ( 0.442 -0.189 0.595) 0.765 10.573 ( -0.247 -1.451 -0.598) 1.588 10.573 ( -0.247 -1.451 0.598) 1.588 10.962 ( 0.142 -0.633 -0.501) 0.819 10.962 ( 0.142 -0.633 0.501) 0.819 11.156 ( -0.010 -3.849 -0.678) 3.908 11.156 ( -0.010 -3.849 0.678) 3.908 12.124 ( 0.295 -1.396 -0.601) 1.548 12.124 ( 0.295 -1.396 0.601) 1.548 12.163 ( -0.510 -1.994 -0.506) 2.119 12.163 ( -0.510 -1.994 0.506) 2.120======================= Grid point 210 (67/72) =======================q-point: ( 0.00 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.114 ( 0.000 -2.879 -0.108) 2.881 2.114 ( 0.000 -2.879 0.108) 2.881 2.182 ( 0.000 1.135 -1.278) 1.709 2.182 ( 0.000 1.134 1.278) 1.709 2.801 ( 0.000 9.421 -1.033) 9.477 2.801 ( 0.000 9.421 1.033) 9.477 2.901 ( 0.000 5.266 -0.775) 5.322 2.901 ( 0.000 5.266 0.775) 5.322 3.130 ( 0.000 4.408 -0.478) 4.434 3.130 ( 0.000 4.408 0.478) 4.434 3.173 ( 0.000 3.993 -1.196) 4.169 3.173 ( 0.000 3.993 1.196) 4.169 3.413 ( 0.000 3.750 -1.899) 4.204 3.413 ( 0.000 3.750 1.900) 4.204 4.073 ( 0.000 3.510 -2.425) 4.266 4.073 ( 0.000 3.510 2.425) 4.266 4.424 ( 0.000 2.274 -2.389) 3.298 4.424 ( 0.000 2.274 2.389) 3.298 4.553 ( 0.000 -0.094 -1.640) 1.643 4.553 ( 0.000 -0.094 1.641) 1.643 4.915 ( 0.000 -4.290 -5.492) 6.969 4.915 ( 0.000 -4.290 5.492) 6.969 5.289 ( 0.000 1.640 -0.687) 1.778 5.289 ( 0.000 1.640 0.687) 1.778 6.945 ( 0.000 -0.480 -0.283) 0.557 6.945 ( 0.000 -0.480 0.283) 0.557 7.021 ( 0.000 -0.513 -0.315) 0.601 7.021 ( 0.000 -0.513 0.315) 0.601 7.273 ( 0.000 -0.668 -0.800) 1.042 7.273 ( 0.000 -0.668 0.800) 1.042 7.356 ( 0.000 -0.822 -1.188) 1.445 7.356 ( 0.000 -0.822 1.188) 1.445 7.920 ( 0.000 3.463 -2.376) 4.200 7.920 ( 0.000 3.463 2.376) 4.200 8.064 ( 0.000 -0.920 -1.357) 1.639 8.064 ( 0.000 -0.920 1.357) 1.640 8.138 ( 0.000 5.807 -0.070) 5.807 8.138 ( 0.000 5.807 0.070) 5.807 8.417 ( 0.000 -5.149 -0.510) 5.174 8.417 ( 0.000 -5.149 0.510) 5.174 9.368 ( 0.000 4.452 -0.038) 4.452 9.368 ( 0.000 4.452 0.038) 4.452 9.454 ( 0.000 4.517 -0.030) 4.517 9.454 ( 0.000 4.517 0.030) 4.517 9.990 ( 0.000 11.170 -0.450) 11.179 9.990 ( 0.000 11.170 0.450) 11.179 10.180 ( 0.000 4.735 -1.686) 5.026 10.180 ( 0.000 4.735 1.687) 5.027 10.448 ( 0.000 0.819 -0.570) 0.998 10.448 ( 0.000 0.819 0.570) 0.998 10.561 ( 0.000 -0.614 -1.082) 1.244 10.561 ( 0.000 -0.614 1.082) 1.244 10.951 ( 0.000 0.361 -1.355) 1.403 10.951 ( 0.000 0.361 1.355) 1.403 11.103 ( 0.000 -2.022 -1.658) 2.615 11.103 ( 0.000 -2.022 1.658) 2.615 12.096 ( 0.000 -0.449 -0.737) 0.863 12.096 ( 0.000 -0.449 0.737) 0.863 12.148 ( 0.000 -1.188 -0.410) 1.257 12.149 ( 0.000 -1.188 0.411) 1.257======================= Grid point 212 (68/72) =======================q-point: ( 0.20 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.111 ( -0.139 -2.085 -0.215) 2.100 2.111 ( -0.139 -2.085 0.215) 2.100 2.170 ( -0.970 1.156 -1.144) 1.894 2.170 ( -0.970 1.156 1.144) 1.894 2.798 ( -0.278 8.719 -0.794) 8.759 2.798 ( -0.278 8.719 0.794) 8.759 2.888 ( -0.898 5.488 -0.374) 5.573 2.888 ( -0.898 5.488 0.374) 5.573 3.146 ( 0.895 4.490 -0.192) 4.583 3.146 ( 0.895 4.490 0.192) 4.583 3.172 ( 0.145 4.355 -0.850) 4.440 3.172 ( 0.145 4.355 0.850) 4.440 3.475 ( 5.717 3.595 -1.304) 6.878 3.475 ( 5.717 3.595 1.304) 6.878 4.015 ( -5.394 4.139 -2.336) 7.189 4.015 ( -5.394 4.139 2.337) 7.189 4.412 ( -0.944 1.689 -1.775) 2.625 4.412 ( -0.944 1.689 1.775) 2.625 4.528 ( -1.666 -2.104 -2.082) 3.397 4.528 ( -1.666 -2.104 2.082) 3.397 4.971 ( 4.501 -2.507 -4.673) 6.956 4.971 ( 4.501 -2.507 4.673) 6.956 5.261 ( -2.433 1.155 -1.218) 2.956 5.261 ( -2.433 1.155 1.218) 2.956 6.956 ( 0.990 -0.505 -0.280) 1.146 6.956 ( 0.990 -0.505 0.281) 1.146 7.018 ( -0.304 -0.530 -0.325) 0.692 7.018 ( -0.304 -0.530 0.325) 0.692 7.275 ( 0.208 -0.069 -0.675) 0.710 7.275 ( 0.208 -0.069 0.675) 0.710 7.354 ( -0.211 -1.131 -0.983) 1.513 7.354 ( -0.211 -1.131 0.983) 1.513 7.924 ( 0.363 3.539 -2.002) 4.082 7.924 ( 0.363 3.539 2.002) 4.082 8.063 ( -0.101 -1.087 -1.268) 1.673 8.063 ( -0.101 -1.087 1.269) 1.674 8.136 ( -0.185 5.761 -0.267) 5.770 8.136 ( -0.185 5.761 0.267) 5.770 8.406 ( -0.853 -5.143 -0.449) 5.232 8.406 ( -0.853 -5.143 0.449) 5.232 9.377 ( 0.795 4.446 -0.063) 4.517 9.377 ( 0.795 4.446 0.063) 4.517 9.446 ( -0.675 4.493 -0.075) 4.544 9.446 ( -0.675 4.493 0.075) 4.544 9.998 ( 0.639 11.209 -0.375) 11.234 9.998 ( 0.639 11.209 0.375) 11.234 10.175 ( -0.351 4.743 -1.408) 4.960 10.175 ( -0.351 4.743 1.408) 4.960 10.458 ( 0.875 0.962 -0.627) 1.444 10.458 ( 0.875 0.962 0.627) 1.444 10.557 ( -0.336 -0.691 -1.054) 1.304 10.557 ( -0.336 -0.691 1.054) 1.304 10.957 ( 0.529 0.589 -1.275) 1.501 10.957 ( 0.529 0.589 1.275) 1.501 11.096 ( -0.626 -2.394 -1.503) 2.895 11.096 ( -0.626 -2.394 1.503) 2.895 12.099 ( 0.301 -0.419 -0.657) 0.835 12.099 ( 0.301 -0.419 0.657) 0.835 12.143 ( -0.466 -1.128 -0.393) 1.282 12.143 ( -0.466 -1.128 0.393) 1.282======================= Grid point 214 (69/72) =======================q-point: ( 0.40 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.113 ( 0.276 -0.022 -0.269) 0.386 2.113 ( 0.276 -0.022 0.269) 0.386 2.147 ( -0.950 0.363 -0.622) 1.192 2.147 ( -0.950 0.363 0.622) 1.192 2.792 ( -0.182 7.564 -0.303) 7.572 2.792 ( -0.182 7.564 0.303) 7.572 2.873 ( -0.387 5.794 -0.085) 5.808 2.873 ( -0.387 5.794 0.085) 5.808 3.154 ( 0.018 4.937 -0.295) 4.946 3.154 ( 0.018 4.937 0.295) 4.946 3.180 ( 0.288 4.601 -0.332) 4.622 3.180 ( 0.288 4.601 0.332) 4.622 3.644 ( 9.508 3.750 -0.140) 10.222 3.644 ( 9.508 3.750 0.141) 10.222 3.852 ( -9.315 4.315 -1.533) 10.379 3.852 ( -9.314 4.315 1.533) 10.379 4.396 ( -0.366 0.775 -0.558) 1.023 4.396 ( -0.366 0.775 0.558) 1.023 4.502 ( -0.695 -3.696 -0.916) 3.870 4.502 ( -0.695 -3.696 0.916) 3.870 5.074 ( 4.431 0.005 -3.073) 5.393 5.074 ( 4.431 0.005 3.073) 5.393 5.193 ( -3.537 -0.365 -1.892) 4.028 5.193 ( -3.537 -0.365 1.892) 4.028 6.982 ( 1.286 -0.553 -0.261) 1.424 6.982 ( 1.286 -0.553 0.261) 1.424 7.006 ( -0.861 -0.565 -0.293) 1.071 7.006 ( -0.861 -0.565 0.293) 1.071 7.279 ( 0.128 1.045 -0.282) 1.090 7.279 ( 0.128 1.045 0.282) 1.090 7.349 ( -0.128 -1.774 -0.388) 1.821 7.349 ( -0.128 -1.774 0.388) 1.821 7.932 ( 0.250 3.715 -0.829) 3.815 7.932 ( 0.250 3.715 0.830) 3.815 8.060 ( -0.113 -1.338 -0.606) 1.474 8.060 ( -0.113 -1.338 0.606) 1.474 8.133 ( -0.088 5.611 -0.170) 5.614 8.133 ( -0.088 5.611 0.170) 5.614 8.389 ( -0.533 -5.124 -0.193) 5.155 8.389 ( -0.533 -5.124 0.194) 5.155 9.399 ( 1.236 4.443 -0.065) 4.612 9.399 ( 1.236 4.443 0.065) 4.612 9.426 ( -1.162 4.451 -0.076) 4.601 9.426 ( -1.162 4.451 0.076) 4.601 10.011 ( 0.423 11.315 -0.160) 11.325 10.011 ( 0.423 11.315 0.160) 11.325 10.168 ( -0.245 4.710 -0.574) 4.751 10.168 ( -0.245 4.710 0.574) 4.751 10.478 ( 0.727 1.401 -0.436) 1.638 10.478 ( 0.727 1.401 0.436) 1.638 10.548 ( -0.404 -1.030 -0.608) 1.262 10.548 ( -0.404 -1.030 0.608) 1.262 10.969 ( 0.448 1.228 -0.658) 1.463 10.969 ( 0.448 1.228 0.658) 1.463 11.082 ( -0.498 -3.256 -0.734) 3.375 11.082 ( -0.498 -3.256 0.734) 3.375 12.107 ( 0.379 -0.324 -0.378) 0.625 12.107 ( 0.379 -0.324 0.378) 0.626 12.132 ( -0.481 -1.077 -0.278) 1.212 12.132 ( -0.481 -1.077 0.278) 1.212======================= Grid point 220 (70/72) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 -0.000 -0.000) 0.000 2.949 ( 0.000 -0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 -0.000 -0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 -0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 7.970 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 -0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.316 ( 0.000 -0.000 0.000) 0.000 8.316 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.501 ( 0.000 0.000 0.000) 0.000 9.501 ( 0.000 0.000 0.000) 0.000 10.122 ( 0.000 -0.000 0.000) 0.000 10.122 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 -0.000 0.000) 0.000 10.461 ( 0.000 -0.000 0.000) 0.000 10.461 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 10.957 ( 0.000 0.000 -0.000) 0.000 10.957 ( 0.000 0.000 0.000) 0.000 11.080 ( 0.000 -0.000 0.000) 0.000 11.080 ( 0.000 -0.000 0.000) 0.000 12.092 ( 0.000 0.000 0.000) 0.000 12.092 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000 12.136 ( 0.000 0.000 0.000) 0.000======================= Grid point 224 (71/72) =======================q-point: ( 0.20 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.079 ( 0.794 0.000 0.000) 0.794 2.079 ( 0.794 0.000 0.000) 0.794 2.184 ( -1.158 0.000 0.000) 1.158 2.184 ( -1.158 0.000 0.000) 1.158 2.903 ( -0.375 0.000 0.000) 0.375 2.903 ( -0.375 0.000 0.000) 0.375 2.930 ( -1.372 -0.000 -0.000) 1.372 2.930 ( -1.372 -0.000 0.000) 1.372 3.197 ( 1.396 0.000 0.000) 1.396 3.197 ( 1.396 0.000 0.000) 1.396 3.225 ( 0.124 -0.000 0.000) 0.124 3.225 ( 0.124 0.000 0.000) 0.124 3.515 ( 5.627 0.000 0.000) 5.627 3.515 ( 5.627 0.000 0.000) 5.627 4.049 ( -4.596 0.000 0.000) 4.596 4.049 ( -4.596 0.000 0.000) 4.596 4.449 ( -0.865 -0.000 -0.000) 0.865 4.449 ( -0.865 0.000 0.000) 0.865 4.482 ( -3.954 -0.000 0.000) 3.954 4.482 ( -3.954 0.000 0.000) 3.954 4.946 ( 5.798 0.000 0.000) 5.798 4.946 ( 5.798 0.000 0.000) 5.798 5.275 ( -2.894 0.000 0.000) 2.894 5.275 ( -2.894 0.000 0.000) 2.894 6.950 ( 0.973 0.000 0.000) 0.973 6.950 ( 0.973 0.000 0.000) 0.973 7.012 ( -0.323 0.000 0.000) 0.323 7.012 ( -0.323 0.000 0.000) 0.323 7.275 ( 0.850 0.000 0.000) 0.850 7.275 ( 0.850 0.000 0.000) 0.850 7.341 ( -0.603 0.000 0.000) 0.603 7.341 ( -0.603 0.000 0.000) 0.603 7.977 ( 0.679 0.000 0.000) 0.679 7.977 ( 0.679 0.000 0.000) 0.679 8.034 ( -0.445 -0.000 0.000) 0.445 8.034 ( -0.445 -0.000 0.000) 0.445 8.246 ( 0.082 0.000 0.000) 0.082 8.246 ( 0.082 0.000 0.000) 0.082 8.302 ( -1.195 -0.000 0.000) 1.195 8.302 ( -1.195 -0.000 0.000) 1.195 9.423 ( 0.787 0.000 0.000) 0.787 9.423 ( 0.787 0.000 0.000) 0.787 9.493 ( -0.696 0.000 0.000) 0.696 9.493 ( -0.696 0.000 0.000) 0.696 10.133 ( 0.903 -0.000 0.000) 0.903 10.133 ( 0.903 0.000 0.000) 0.903 10.200 ( -0.553 0.000 0.000) 0.553 10.200 ( -0.553 -0.000 0.000) 0.553 10.473 ( 1.070 -0.000 0.000) 1.070 10.473 ( 1.070 0.000 0.000) 1.070 10.551 ( -0.503 0.000 0.000) 0.503 10.551 ( -0.503 0.000 0.000) 0.503 10.967 ( 0.915 0.000 -0.000) 0.915 10.967 ( 0.915 0.000 0.000) 0.915 11.068 ( -1.137 -0.000 -0.000) 1.137 11.068 ( -1.137 0.000 0.000) 1.137 12.096 ( 0.337 0.000 0.000) 0.337 12.096 ( 0.337 0.000 0.000) 0.337 12.131 ( -0.422 0.000 0.000) 0.422 12.131 ( -0.422 0.000 0.000) 0.422======================= Grid point 228 (72/72) =======================q-point: ( 0.40 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.107 ( 1.756 0.000 0.000) 1.756 2.107 ( 1.756 0.000 0.000) 1.756 2.149 ( -1.986 0.000 0.000) 1.986 2.149 ( -1.986 0.000 0.000) 1.986 2.897 ( -0.066 0.001 -0.000) 0.066 2.897 ( -0.066 0.001 0.000) 0.066 2.905 ( -0.846 -0.001 -0.000) 0.846 2.905 ( -0.846 -0.001 0.000) 0.846 3.220 ( 0.635 0.000 0.000) 0.635 3.220 ( 0.635 0.000 0.000) 0.635 3.227 ( -0.069 -0.000 0.000) 0.069 3.227 ( -0.069 0.000 0.000) 0.069 3.685 ( 9.657 0.000 0.000) 9.657 3.685 ( 9.657 0.000 0.000) 9.657 3.896 ( -9.272 0.000 0.000) 9.272 3.896 ( -9.272 0.000 0.000) 9.272 4.427 ( -0.998 -0.001 -0.000) 0.998 4.427 ( -0.998 0.000 0.000) 0.998 4.428 ( -0.803 0.000 -0.000) 0.803 4.428 ( -0.803 0.001 0.000) 0.803 5.075 ( 5.887 0.000 0.000) 5.887 5.075 ( 5.887 0.000 0.000) 5.887 5.190 ( -4.807 -0.000 0.000) 4.807 5.190 ( -4.807 0.000 0.000) 4.807 6.976 ( 1.279 0.000 0.000) 1.279 6.976 ( 1.279 0.000 0.000) 1.279 7.000 ( -0.880 0.000 0.000) 0.880 7.000 ( -0.880 0.000 0.000) 0.880 7.298 ( 1.212 0.000 0.000) 1.212 7.298 ( 1.212 0.000 0.000) 1.212 7.323 ( -1.059 -0.000 0.000) 1.059 7.323 ( -1.059 -0.000 0.000) 1.059 7.997 ( 1.066 0.000 0.000) 1.066 7.997 ( 1.066 0.000 0.000) 1.066 8.019 ( -0.925 -0.000 0.000) 0.925 8.019 ( -0.925 -0.000 0.000) 0.925 8.253 ( 0.601 0.000 0.000) 0.601 8.253 ( 0.601 0.001 0.000) 0.601 8.274 ( -1.287 -0.000 0.000) 1.287 8.274 ( -1.287 -0.000 0.000) 1.287 9.446 ( 1.241 0.000 0.000) 1.241 9.446 ( 1.241 0.000 0.000) 1.241 9.473 ( -1.184 0.000 0.000) 1.184 9.473 ( -1.184 0.000 0.000) 1.184 10.157 ( 1.265 -0.000 0.000) 1.265 10.157 ( 1.265 0.000 0.000) 1.265 10.182 ( -1.051 -0.000 0.000) 1.051 10.182 ( -1.051 0.000 0.000) 1.051 10.503 ( 1.524 0.000 0.000) 1.524 10.503 ( 1.524 0.000 0.000) 1.524 10.533 ( -1.185 0.000 0.000) 1.185 10.533 ( -1.185 0.000 0.000) 1.185 10.996 ( 1.698 0.000 0.000) 1.698 10.996 ( 1.698 0.000 0.000) 1.698 11.035 ( -1.821 -0.000 -0.000) 1.821 11.035 ( -1.821 0.000 0.000) 1.821 12.106 ( 0.582 0.000 0.000) 0.582 12.106 ( 0.582 0.000 0.000) 0.582 12.119 ( -0.634 -0.000 0.000) 0.634 12.119 ( -0.634 0.000 0.000) 0.634=================== 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 3/16800 10.0 305.283 436.390 215.203 0.000 0.000 0.000 3/16800 20.0 88.616 290.863 71.177 0.000 0.000 0.000 3/16800 30.0 44.418 184.523 37.134 0.000 0.000 0.000 3/16800 40.0 28.306 130.570 23.926 0.000 0.000 0.000 3/16800 50.0 20.389 98.794 17.288 0.000 0.000 0.000 3/16800 60.0 15.721 77.917 13.352 0.000 0.000 0.000 3/16800 70.0 12.655 63.370 10.766 0.000 0.000 0.000 3/16800 80.0 10.505 52.861 8.954 0.000 0.000 0.000 3/16800 90.0 8.931 45.057 7.626 0.000 0.000 0.000 3/16800 100.0 7.740 39.114 6.620 0.000 0.000 0.000 3/16800 110.0 6.814 34.485 5.837 0.000 0.000 0.000 3/16800 120.0 6.078 30.804 5.214 0.000 0.000 0.000 3/16800 130.0 5.481 27.819 4.708 0.000 0.000 0.000 3/16800 140.0 4.989 25.359 4.290 0.000 0.000 0.000 3/16800 150.0 4.578 23.300 3.940 0.000 0.000 0.000 3/16800 160.0 4.229 21.553 3.643 0.000 0.000 0.000 3/16800 170.0 3.930 20.055 3.388 0.000 0.000 0.000 3/16800 180.0 3.671 18.755 3.167 0.000 0.000 0.000 3/16800 190.0 3.444 17.617 2.973 0.000 0.000 0.000 3/16800 200.0 3.244 16.612 2.802 0.000 0.000 0.000 3/16800 210.0 3.067 15.719 2.650 0.000 0.000 0.000 3/16800 220.0 2.908 14.920 2.514 0.000 0.000 0.000 3/16800 230.0 2.766 14.200 2.391 0.000 0.000 0.000 3/16800 240.0 2.637 13.548 2.281 0.000 0.000 0.000 3/16800 250.0 2.520 12.955 2.180 0.000 0.000 0.000 3/16800 260.0 2.413 12.413 2.088 0.000 0.000 0.000 3/16800 270.0 2.314 11.916 2.003 0.000 0.000 0.000 3/16800 280.0 2.224 11.458 1.926 0.000 0.000 0.000 3/16800 290.0 2.141 11.034 1.854 0.000 0.000 0.000 3/16800 300.0 2.064 10.642 1.788 0.000 0.000 0.000 3/16800 310.0 1.992 10.277 1.726 0.000 0.000 0.000 3/16800 320.0 1.925 9.937 1.668 0.000 0.000 0.000 3/16800 330.0 1.863 9.620 1.614 0.000 0.000 0.000 3/16800 340.0 1.805 9.322 1.564 0.000 0.000 0.000 3/16800 350.0 1.750 9.042 1.517 0.000 0.000 0.000 3/16800 360.0 1.699 8.780 1.472 0.000 0.000 0.000 3/16800 370.0 1.650 8.532 1.431 0.000 0.000 0.000 3/16800 380.0 1.605 8.298 1.391 0.000 0.000 0.000 3/16800 390.0 1.561 8.077 1.354 0.000 0.000 0.000 3/16800 400.0 1.520 7.868 1.319 0.000 0.000 0.000 3/16800 410.0 1.482 7.669 1.285 0.000 0.000 0.000 3/16800 420.0 1.445 7.480 1.253 0.000 0.000 0.000 3/16800 430.0 1.410 7.301 1.223 0.000 0.000 0.000 3/16800 440.0 1.377 7.130 1.194 0.000 0.000 0.000 3/16800 450.0 1.345 6.966 1.167 0.000 0.000 0.000 3/16800 460.0 1.315 6.811 1.140 0.000 0.000 0.000 3/16800 470.0 1.286 6.662 1.115 0.000 0.000 0.000 3/16800 480.0 1.258 6.520 1.091 0.000 0.000 0.000 3/16800 490.0 1.232 6.383 1.068 0.000 0.000 0.000 3/16800 500.0 1.206 6.253 1.047 0.000 0.000 0.000 3/16800 510.0 1.182 6.127 1.025 0.000 0.000 0.000 3/16800 520.0 1.158 6.007 1.005 0.000 0.000 0.000 3/16800 530.0 1.136 5.891 0.986 0.000 0.000 0.000 3/16800 540.0 1.114 5.780 0.967 0.000 0.000 0.000 3/16800 550.0 1.094 5.673 0.949 0.000 0.000 0.000 3/16800 560.0 1.074 5.570 0.932 0.000 0.000 0.000 3/16800 570.0 1.054 5.470 0.915 0.000 0.000 0.000 3/16800 580.0 1.036 5.374 0.899 0.000 0.000 0.000 3/16800 590.0 1.018 5.282 0.883 0.000 0.000 0.000 3/16800 600.0 1.000 5.192 0.868 0.000 0.000 0.000 3/16800 610.0 0.984 5.106 0.854 0.000 0.000 0.000 3/16800 620.0 0.968 5.022 0.840 0.000 0.000 0.000 3/16800 630.0 0.952 4.942 0.826 0.000 0.000 0.000 3/16800 640.0 0.937 4.863 0.813 0.000 0.000 0.000 3/16800 650.0 0.922 4.788 0.800 0.000 0.000 0.000 3/16800 660.0 0.908 4.714 0.788 0.000 0.000 0.000 3/16800 670.0 0.894 4.643 0.776 0.000 0.000 0.000 3/16800 680.0 0.881 4.574 0.765 0.000 0.000 0.000 3/16800 690.0 0.868 4.507 0.753 0.000 0.000 0.000 3/16800 700.0 0.855 4.442 0.742 0.000 0.000 0.000 3/16800 710.0 0.843 4.378 0.732 0.000 0.000 0.000 3/16800 720.0 0.831 4.317 0.721 0.000 0.000 0.000 3/16800 730.0 0.819 4.257 0.711 0.000 0.000 0.000 3/16800 740.0 0.808 4.199 0.702 0.000 0.000 0.000 3/16800 750.0 0.797 4.143 0.692 0.000 0.000 0.000 3/16800 760.0 0.787 4.088 0.683 0.000 0.000 0.000 3/16800 770.0 0.776 4.034 0.674 0.000 0.000 0.000 3/16800 780.0 0.766 3.982 0.665 0.000 0.000 0.000 3/16800 790.0 0.756 3.931 0.657 0.000 0.000 0.000 3/16800 800.0 0.747 3.881 0.649 0.000 0.000 0.000 3/16800 810.0 0.738 3.833 0.640 0.000 0.000 0.000 3/16800 820.0 0.728 3.786 0.633 0.000 0.000 0.000 3/16800 830.0 0.720 3.740 0.625 0.000 0.000 0.000 3/16800 840.0 0.711 3.695 0.617 0.000 0.000 0.000 3/16800 850.0 0.703 3.651 0.610 0.000 0.000 0.000 3/16800 860.0 0.694 3.609 0.603 0.000 0.000 0.000 3/16800 870.0 0.686 3.567 0.596 0.000 0.000 0.000 3/16800 880.0 0.678 3.526 0.589 0.000 0.000 0.000 3/16800 890.0 0.671 3.486 0.582 0.000 0.000 0.000 3/16800 900.0 0.663 3.447 0.576 0.000 0.000 0.000 3/16800 910.0 0.656 3.409 0.569 0.000 0.000 0.000 3/16800 920.0 0.649 3.372 0.563 0.000 0.000 0.000 3/16800 930.0 0.642 3.335 0.557 0.000 0.000 0.000 3/16800 940.0 0.635 3.300 0.551 0.000 0.000 0.000 3/16800 950.0 0.628 3.265 0.545 0.000 0.000 0.000 3/16800 960.0 0.621 3.231 0.540 0.000 0.000 0.000 3/16800 970.0 0.615 3.197 0.534 0.000 0.000 0.000 3/16800 980.0 0.609 3.164 0.528 0.000 0.000 0.000 3/16800 990.0 0.602 3.132 0.523 0.000 0.000 0.000 3/16800 1000.0 0.596 3.101 0.518 0.000 0.000 0.000 3/16800Thermal conductivity related properties were written into "kappa-m5144.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 19:23:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|