# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/5510719e-ac19-4d4d-ab45-1fc47de26759/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 K5H(CN2)2 / P4/ncc (130) / materials id 777297](https://mdr.nims.go.jp/datasets/9deebff0-0d6d-4bb8-9c03-10fb9063ab4f) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 03:22:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/ncc (130)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 9.049214890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.049214890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.067520650000001Atomic positions (fractional): *1 K 0.29477897856027 0.39613698275422 0.10061701071162 39.098 2 K 0.29477897856027 0.60386301724577 0.60061701071162 39.098 3 K 0.39613698275422 0.29477897856027 0.39938298928838 39.098 4 K 0.39613698275422 0.70522102143973 0.89938298928838 39.098 *5 K 0.50000000000000 0.00000000000000 0.15102060787719 39.098 6 K 0.50000000000000 0.00000000000000 0.65102060787719 39.098 7 K 0.60386301724577 0.29477897856027 0.89938298928838 39.098 8 K 0.60386301724577 0.70522102143973 0.39938298928838 39.098 9 K 0.70522102143973 0.39613698275422 0.60061701071162 39.098 10 K 0.70522102143973 0.60386301724577 0.10061701071162 39.098 11 K 0.79477897856027 0.89613698275423 0.89938298928838 39.098 12 K 0.79477897856027 0.10386301724577 0.39938298928838 39.098 13 K 0.89613698275423 0.79477897856027 0.60061701071162 39.098 14 K 0.89613698275423 0.20522102143973 0.10061701071162 39.098 15 K 0.00000000000000 0.50000000000000 0.34897939212281 39.098 16 K 0.00000000000000 0.50000000000000 0.84897939212281 39.098 17 K 0.10386301724577 0.79477897856027 0.10061701071162 39.098 18 K 0.10386301724577 0.20522102143973 0.60061701071162 39.098 19 K 0.20522102143973 0.10386301724577 0.89938298928838 39.098 20 K 0.20522102143973 0.89613698275423 0.39938298928838 39.098 *21 H 0.50000000000000 0.00000000000000 0.40208183332051 1.008 22 H 0.50000000000000 0.00000000000000 0.90208183332051 1.008 23 H 0.00000000000000 0.50000000000000 0.09791816667949 1.008 24 H 0.00000000000000 0.50000000000000 0.59791816667949 1.008 *25 C 0.35284875021403 0.35284875021403 0.75000000000000 12.011 26 C 0.35284875021403 0.64715124978597 0.25000000000000 12.011 27 C 0.64715124978597 0.35284875021403 0.25000000000000 12.011 28 C 0.64715124978597 0.64715124978597 0.75000000000000 12.011 29 C 0.85284875021403 0.85284875021403 0.25000000000000 12.011 30 C 0.85284875021403 0.14715124978597 0.75000000000000 12.011 31 C 0.14715124978597 0.85284875021403 0.75000000000000 12.011 32 C 0.14715124978597 0.14715124978597 0.25000000000000 12.011 *33 N 0.30585931135027 0.59932211310467 0.34815838519248 14.007 34 N 0.30585931135027 0.40067788689533 0.84815838519248 14.007 35 N 0.40067788689533 0.69414068864973 0.15184161480752 14.007 36 N 0.40067788689533 0.30585931135027 0.65184161480752 14.007 37 N 0.59932211310467 0.30585931135027 0.15184161480752 14.007 38 N 0.59932211310467 0.69414068864973 0.65184161480752 14.007 39 N 0.69414068864973 0.40067788689533 0.34815838519248 14.007 40 N 0.69414068864973 0.59932211310467 0.84815838519248 14.007 41 N 0.80585931135027 0.90067788689533 0.15184161480752 14.007 42 N 0.80585931135027 0.09932211310467 0.65184161480752 14.007 43 N 0.90067788689533 0.80585931135027 0.34815838519248 14.007 44 N 0.90067788689533 0.19414068864973 0.84815838519248 14.007 45 N 0.09932211310467 0.19414068864973 0.34815838519248 14.007 46 N 0.09932211310467 0.80585931135027 0.84815838519248 14.007 47 N 0.19414068864973 0.90067788689533 0.65184161480752 14.007 48 N 0.19414068864973 0.09932211310467 0.15184161480752 14.007-------------------------------- unit cell ---------------------------------Lattice vectors: a 9.049214890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.049214890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.067520650000001Atomic positions (fractional): *1 K 0.29477897856027 0.39613698275422 0.10061701071162 39.098 > 1 2 K 0.29477897856027 0.60386301724577 0.60061701071162 39.098 > 2 3 K 0.39613698275422 0.29477897856027 0.39938298928838 39.098 > 3 4 K 0.39613698275422 0.70522102143973 0.89938298928838 39.098 > 4 *5 K 0.50000000000000 0.00000000000000 0.15102060787719 39.098 > 5 6 K 0.50000000000000 0.00000000000000 0.65102060787719 39.098 > 6 7 K 0.60386301724577 0.29477897856027 0.89938298928838 39.098 > 7 8 K 0.60386301724577 0.70522102143973 0.39938298928838 39.098 > 8 9 K 0.70522102143973 0.39613698275422 0.60061701071162 39.098 > 9 10 K 0.70522102143973 0.60386301724577 0.10061701071162 39.098 > 10 11 K 0.79477897856027 0.89613698275423 0.89938298928838 39.098 > 11 12 K 0.79477897856027 0.10386301724577 0.39938298928838 39.098 > 12 13 K 0.89613698275423 0.79477897856027 0.60061701071162 39.098 > 13 14 K 0.89613698275423 0.20522102143973 0.10061701071162 39.098 > 14 15 K 0.00000000000000 0.50000000000000 0.34897939212281 39.098 > 15 16 K 0.00000000000000 0.50000000000000 0.84897939212281 39.098 > 16 17 K 0.10386301724577 0.79477897856027 0.10061701071162 39.098 > 17 18 K 0.10386301724577 0.20522102143973 0.60061701071162 39.098 > 18 19 K 0.20522102143973 0.10386301724577 0.89938298928838 39.098 > 19 20 K 0.20522102143973 0.89613698275423 0.39938298928838 39.098 > 20 *21 H 0.50000000000000 0.00000000000000 0.40208183332051 1.008 > 21 22 H 0.50000000000000 0.00000000000000 0.90208183332051 1.008 > 22 23 H 0.00000000000000 0.50000000000000 0.09791816667949 1.008 > 23 24 H 0.00000000000000 0.50000000000000 0.59791816667949 1.008 > 24 *25 C 0.35284875021403 0.35284875021403 0.75000000000000 12.011 > 25 26 C 0.35284875021403 0.64715124978597 0.25000000000000 12.011 > 26 27 C 0.64715124978597 0.35284875021403 0.25000000000000 12.011 > 27 28 C 0.64715124978597 0.64715124978597 0.75000000000000 12.011 > 28 29 C 0.85284875021403 0.85284875021403 0.25000000000000 12.011 > 29 30 C 0.85284875021403 0.14715124978597 0.75000000000000 12.011 > 30 31 C 0.14715124978597 0.85284875021403 0.75000000000000 12.011 > 31 32 C 0.14715124978597 0.14715124978597 0.25000000000000 12.011 > 32 *33 N 0.30585931135027 0.59932211310467 0.34815838519248 14.007 > 33 34 N 0.30585931135027 0.40067788689533 0.84815838519248 14.007 > 34 35 N 0.40067788689533 0.69414068864973 0.15184161480752 14.007 > 35 36 N 0.40067788689533 0.30585931135027 0.65184161480752 14.007 > 36 37 N 0.59932211310467 0.30585931135027 0.15184161480752 14.007 > 37 38 N 0.59932211310467 0.69414068864973 0.65184161480752 14.007 > 38 39 N 0.69414068864973 0.40067788689533 0.34815838519248 14.007 > 39 40 N 0.69414068864973 0.59932211310467 0.84815838519248 14.007 > 40 41 N 0.80585931135027 0.90067788689533 0.15184161480752 14.007 > 41 42 N 0.80585931135027 0.09932211310467 0.65184161480752 14.007 > 42 43 N 0.90067788689533 0.80585931135027 0.34815838519248 14.007 > 43 44 N 0.90067788689533 0.19414068864973 0.84815838519248 14.007 > 44 45 N 0.09932211310467 0.19414068864973 0.34815838519248 14.007 > 45 46 N 0.09932211310467 0.80585931135027 0.84815838519248 14.007 > 46 47 N 0.19414068864973 0.90067788689533 0.65184161480752 14.007 > 47 48 N 0.19414068864973 0.09932211310467 0.15184161480752 14.007 > 48-------------------------------- super cell --------------------------------Lattice vectors: a 9.049214890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.049214890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.067520650000001Atomic positions (fractional): *1 K 0.29477897856027 0.39613698275422 0.10061701071162 39.098 > 1 2 K 0.29477897856027 0.60386301724577 0.60061701071162 39.098 > 2 3 K 0.39613698275422 0.29477897856027 0.39938298928838 39.098 > 3 4 K 0.39613698275422 0.70522102143973 0.89938298928838 39.098 > 4 *5 K 0.50000000000000 0.00000000000000 0.15102060787719 39.098 > 5 6 K 0.50000000000000 0.00000000000000 0.65102060787719 39.098 > 6 7 K 0.60386301724577 0.29477897856027 0.89938298928838 39.098 > 7 8 K 0.60386301724577 0.70522102143973 0.39938298928838 39.098 > 8 9 K 0.70522102143973 0.39613698275422 0.60061701071162 39.098 > 9 10 K 0.70522102143973 0.60386301724577 0.10061701071162 39.098 > 10 11 K 0.79477897856027 0.89613698275423 0.89938298928838 39.098 > 11 12 K 0.79477897856027 0.10386301724577 0.39938298928838 39.098 > 12 13 K 0.89613698275423 0.79477897856027 0.60061701071162 39.098 > 13 14 K 0.89613698275423 0.20522102143973 0.10061701071162 39.098 > 14 15 K 0.00000000000000 0.50000000000000 0.34897939212281 39.098 > 15 16 K 0.00000000000000 0.50000000000000 0.84897939212281 39.098 > 16 17 K 0.10386301724577 0.79477897856027 0.10061701071162 39.098 > 17 18 K 0.10386301724577 0.20522102143973 0.60061701071162 39.098 > 18 19 K 0.20522102143973 0.10386301724577 0.89938298928838 39.098 > 19 20 K 0.20522102143973 0.89613698275423 0.39938298928838 39.098 > 20 *21 H 0.50000000000000 0.00000000000000 0.40208183332051 1.008 > 21 22 H 0.50000000000000 0.00000000000000 0.90208183332051 1.008 > 22 23 H 0.00000000000000 0.50000000000000 0.09791816667949 1.008 > 23 24 H 0.00000000000000 0.50000000000000 0.59791816667949 1.008 > 24 *25 C 0.35284875021403 0.35284875021403 0.75000000000000 12.011 > 25 26 C 0.35284875021403 0.64715124978597 0.25000000000000 12.011 > 26 27 C 0.64715124978597 0.35284875021403 0.25000000000000 12.011 > 27 28 C 0.64715124978597 0.64715124978597 0.75000000000000 12.011 > 28 29 C 0.85284875021403 0.85284875021403 0.25000000000000 12.011 > 29 30 C 0.85284875021403 0.14715124978597 0.75000000000000 12.011 > 30 31 C 0.14715124978597 0.85284875021403 0.75000000000000 12.011 > 31 32 C 0.14715124978597 0.14715124978597 0.25000000000000 12.011 > 32 *33 N 0.30585931135027 0.59932211310467 0.34815838519248 14.007 > 33 34 N 0.30585931135027 0.40067788689533 0.84815838519248 14.007 > 34 35 N 0.40067788689533 0.69414068864973 0.15184161480752 14.007 > 35 36 N 0.40067788689533 0.30585931135027 0.65184161480752 14.007 > 36 37 N 0.59932211310467 0.30585931135027 0.15184161480752 14.007 > 37 38 N 0.59932211310467 0.69414068864973 0.65184161480752 14.007 > 38 39 N 0.69414068864973 0.40067788689533 0.34815838519248 14.007 > 39 40 N 0.69414068864973 0.59932211310467 0.84815838519248 14.007 > 40 41 N 0.80585931135027 0.90067788689533 0.15184161480752 14.007 > 41 42 N 0.80585931135027 0.09932211310467 0.65184161480752 14.007 > 42 43 N 0.90067788689533 0.80585931135027 0.34815838519248 14.007 > 43 44 N 0.90067788689533 0.19414068864973 0.84815838519248 14.007 > 44 45 N 0.09932211310467 0.19414068864973 0.34815838519248 14.007 > 45 46 N 0.09932211310467 0.80585931135027 0.84815838519248 14.007 > 46 47 N 0.19414068864973 0.90067788689533 0.65184161480752 14.007 > 47 48 N 0.19414068864973 0.09932211310467 0.15184161480752 14.007 > 48----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5831932 0.0000000 0.0000000 0.0000000 2.5831932 0.0000000 0.0000000 0.0000000 3.0477134-------------------------- Born effective charges -------------------------- 1 K 1.0844244 0.0440493 -0.0070344 0.0660278 1.1243852 0.0774226 0.1035049 -0.0193992 1.2219211 2 K 1.0844244 -0.0440493 -0.0070344 -0.0660278 1.1243852 -0.0774226 0.1035049 0.0193992 1.2219211 3 K 1.1243852 0.0660278 -0.0774226 0.0440493 1.0844244 0.0070344 0.0193992 -0.1035049 1.2219211 4 K 1.1243852 -0.0660278 -0.0774226 -0.0440493 1.0844244 -0.0070344 0.0193992 0.1035049 1.2219211 5 K 1.1686393 0.0440412 0.0000000 -0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 6 K 1.1686393 -0.0440412 0.0000000 0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 7 K 1.1243852 -0.0660278 0.0774226 -0.0440493 1.0844244 0.0070344 -0.0193992 -0.1035049 1.2219211 8 K 1.1243852 0.0660278 0.0774226 0.0440493 1.0844244 -0.0070344 -0.0193992 0.1035049 1.2219211 9 K 1.0844244 -0.0440493 0.0070344 -0.0660278 1.1243852 0.0774226 -0.1035049 -0.0193992 1.2219211 10 K 1.0844244 0.0440493 0.0070344 0.0660278 1.1243852 -0.0774226 -0.1035049 0.0193992 1.2219211 11 K 1.0844244 0.0440493 0.0070344 0.0660278 1.1243852 -0.0774226 -0.1035049 0.0193992 1.2219211 12 K 1.0844244 -0.0440493 0.0070344 -0.0660278 1.1243852 0.0774226 -0.1035049 -0.0193992 1.2219211 13 K 1.1243852 0.0660278 0.0774226 0.0440493 1.0844244 -0.0070344 -0.0193992 0.1035049 1.2219211 14 K 1.1243852 -0.0660278 0.0774226 -0.0440493 1.0844244 0.0070344 -0.0193992 -0.1035049 1.2219211 15 K 1.1686393 -0.0440412 0.0000000 0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 16 K 1.1686393 0.0440412 0.0000000 -0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 17 K 1.1243852 -0.0660278 -0.0774226 -0.0440493 1.0844244 -0.0070344 0.0193992 0.1035049 1.2219211 18 K 1.1243852 0.0660278 -0.0774226 0.0440493 1.0844244 0.0070344 0.0193992 -0.1035049 1.2219211 19 K 1.0844244 0.0440493 -0.0070344 0.0660278 1.1243852 0.0774226 0.1035049 -0.0193992 1.2219211 20 K 1.0844244 -0.0440493 -0.0070344 -0.0660278 1.1243852 -0.0774226 0.1035049 0.0193992 1.2219211 21 H -0.9344085 -0.0116461 0.0000000 0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 22 H -0.9344085 0.0116461 0.0000000 -0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 23 H -0.9344085 0.0116461 0.0000000 -0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 24 H -0.9344085 -0.0116461 0.0000000 0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 25 C 0.0868292 -0.4936735 -1.2187728 -0.4936735 0.0868292 1.2187728 -1.0866520 1.0866520 2.2438856 26 C 0.0868292 0.4936735 -1.2187728 0.4936735 0.0868292 -1.2187728 -1.0866520 -1.0866520 2.2438856 27 C 0.0868292 0.4936735 1.2187728 0.4936735 0.0868292 1.2187728 1.0866520 1.0866520 2.2438856 28 C 0.0868292 -0.4936735 1.2187728 -0.4936735 0.0868292 -1.2187728 1.0866520 -1.0866520 2.2438856 29 C 0.0868292 -0.4936735 1.2187728 -0.4936735 0.0868292 -1.2187728 1.0866520 -1.0866520 2.2438856 30 C 0.0868292 0.4936735 1.2187728 0.4936735 0.0868292 1.2187728 1.0866520 1.0866520 2.2438856 31 C 0.0868292 0.4936735 -1.2187728 0.4936735 0.0868292 -1.2187728 -1.0866520 -1.0866520 2.2438856 32 C 0.0868292 -0.4936735 -1.2187728 -0.4936735 0.0868292 1.2187728 -1.0866520 1.0866520 2.2438856 33 N -1.1950421 -0.2442653 0.6078182 -0.2324359 -1.2177121 0.5783120 0.4543537 0.4832977 -2.3599165 34 N -1.1950421 0.2442653 0.6078182 0.2324359 -1.2177121 -0.5783120 0.4543537 -0.4832977 -2.3599165 35 N -1.2177121 -0.2324359 0.5783120 -0.2442653 -1.1950421 0.6078182 0.4832977 0.4543537 -2.3599165 36 N -1.2177121 0.2324359 0.5783120 0.2442653 -1.1950421 -0.6078182 0.4832977 -0.4543537 -2.3599165 37 N -1.2177121 -0.2324359 -0.5783120 -0.2442653 -1.1950421 -0.6078182 -0.4832977 -0.4543537 -2.3599165 38 N -1.2177121 0.2324359 -0.5783120 0.2442653 -1.1950421 0.6078182 -0.4832977 0.4543537 -2.3599165 39 N -1.1950421 -0.2442653 -0.6078182 -0.2324359 -1.2177121 -0.5783120 -0.4543537 -0.4832977 -2.3599165 40 N -1.1950421 0.2442653 -0.6078182 0.2324359 -1.2177121 0.5783120 -0.4543537 0.4832977 -2.3599165 41 N -1.1950421 0.2442653 -0.6078182 0.2324359 -1.2177121 0.5783120 -0.4543537 0.4832977 -2.3599165 42 N -1.1950421 -0.2442653 -0.6078182 -0.2324359 -1.2177121 -0.5783120 -0.4543537 -0.4832977 -2.3599165 43 N -1.2177121 0.2324359 -0.5783120 0.2442653 -1.1950421 0.6078182 -0.4832977 0.4543537 -2.3599165 44 N -1.2177121 -0.2324359 -0.5783120 -0.2442653 -1.1950421 -0.6078182 -0.4832977 -0.4543537 -2.3599165 45 N -1.2177121 0.2324359 0.5783120 0.2442653 -1.1950421 -0.6078182 0.4832977 -0.4543537 -2.3599165 46 N -1.2177121 -0.2324359 0.5783120 -0.2442653 -1.1950421 0.6078182 0.4832977 0.4543537 -2.3599165 47 N -1.1950421 -0.2442653 0.6078182 -0.2324359 -1.2177121 0.5783120 0.4543537 0.4832977 -2.3599165 48 N -1.1950421 0.2442653 0.6078182 0.2324359 -1.2177121 -0.5783120 0.4543537 -0.4832977 -2.3599165----------------------------------------------------------------------------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: 144/144Permutation basis: 10296/10296Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 708Number of blocks in projector: 708Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 172Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 158Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 98Use standard eigh solver.Tree of FC basis block matrices:- (708, 679), data: False|-- (98, 93), data: True|-- (158, 151), data: True|-- (172, 165), data: True|-- (280, 270), data: True-----Solver_atoms: 1 -- 48 / 48Time (Solver_compr_matrix_reshape): 0.001Solver_block: 100 / 400 - Time: 0.321Solver_block: 200 / 400 - Time: 0.300Solver_block: 300 / 400 - Time: 0.299Solver_block: 400 / 400 - Time: 0.299Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.231--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 144/144Permutation basis: 10296/10296Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 708Number of blocks in projector: 708Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 280Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 172Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 158Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 98Use standard eigh solver.Tree of FC basis block matrices:- (708, 679), data: False|-- (98, 93), data: True|-- (158, 151), data: True|-- (172, 165), data: True|-- (280, 270), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-09 03:22:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 03:22:58]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 1 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/ncc (130)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.049214890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.049214890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.067520650000001Atomic positions (fractional): 1 K 0.29477897856027 0.39613698275422 0.10061701071162 39.098 2 K 0.29477897856027 0.60386301724577 0.60061701071162 39.098 3 K 0.39613698275422 0.29477897856027 0.39938298928838 39.098 4 K 0.39613698275422 0.70522102143973 0.89938298928838 39.098 5 K 0.50000000000000 0.00000000000000 0.15102060787719 39.098 6 K 0.50000000000000 0.00000000000000 0.65102060787719 39.098 7 K 0.60386301724577 0.29477897856027 0.89938298928838 39.098 8 K 0.60386301724577 0.70522102143973 0.39938298928838 39.098 9 K 0.70522102143973 0.39613698275422 0.60061701071162 39.098 10 K 0.70522102143973 0.60386301724577 0.10061701071162 39.098 11 K 0.79477897856027 0.89613698275423 0.89938298928838 39.098 12 K 0.79477897856027 0.10386301724577 0.39938298928838 39.098 13 K 0.89613698275423 0.79477897856027 0.60061701071162 39.098 14 K 0.89613698275423 0.20522102143973 0.10061701071162 39.098 15 K 0.00000000000000 0.50000000000000 0.34897939212281 39.098 16 K 0.00000000000000 0.50000000000000 0.84897939212281 39.098 17 K 0.10386301724577 0.79477897856027 0.10061701071162 39.098 18 K 0.10386301724577 0.20522102143973 0.60061701071162 39.098 19 K 0.20522102143973 0.10386301724577 0.89938298928838 39.098 20 K 0.20522102143973 0.89613698275423 0.39938298928838 39.098 21 H 0.50000000000000 0.00000000000000 0.40208183332051 1.008 22 H 0.50000000000000 0.00000000000000 0.90208183332051 1.008 23 H 0.00000000000000 0.50000000000000 0.09791816667949 1.008 24 H 0.00000000000000 0.50000000000000 0.59791816667949 1.008 25 C 0.35284875021403 0.35284875021403 0.75000000000000 12.011 26 C 0.35284875021403 0.64715124978597 0.25000000000000 12.011 27 C 0.64715124978597 0.35284875021403 0.25000000000000 12.011 28 C 0.64715124978597 0.64715124978597 0.75000000000000 12.011 29 C 0.85284875021403 0.85284875021403 0.25000000000000 12.011 30 C 0.85284875021403 0.14715124978597 0.75000000000000 12.011 31 C 0.14715124978597 0.85284875021403 0.75000000000000 12.011 32 C 0.14715124978597 0.14715124978597 0.25000000000000 12.011 33 N 0.30585931135027 0.59932211310467 0.34815838519248 14.007 34 N 0.30585931135027 0.40067788689533 0.84815838519248 14.007 35 N 0.40067788689533 0.69414068864973 0.15184161480752 14.007 36 N 0.40067788689533 0.30585931135027 0.65184161480752 14.007 37 N 0.59932211310467 0.30585931135027 0.15184161480752 14.007 38 N 0.59932211310467 0.69414068864973 0.65184161480752 14.007 39 N 0.69414068864973 0.40067788689533 0.34815838519248 14.007 40 N 0.69414068864973 0.59932211310467 0.84815838519248 14.007 41 N 0.80585931135027 0.90067788689533 0.15184161480752 14.007 42 N 0.80585931135027 0.09932211310467 0.65184161480752 14.007 43 N 0.90067788689533 0.80585931135027 0.34815838519248 14.007 44 N 0.90067788689533 0.19414068864973 0.84815838519248 14.007 45 N 0.09932211310467 0.19414068864973 0.34815838519248 14.007 46 N 0.09932211310467 0.80585931135027 0.84815838519248 14.007 47 N 0.19414068864973 0.90067788689533 0.65184161480752 14.007 48 N 0.19414068864973 0.09932211310467 0.15184161480752 14.007-------------------------------- supercell ---------------------------------Lattice vectors: a 9.049214890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.049214890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.067520650000001Atomic positions (fractional): 1 K 0.29477897856027 0.39613698275422 0.10061701071162 39.098 > 1 2 K 0.29477897856027 0.60386301724577 0.60061701071162 39.098 > 2 3 K 0.39613698275422 0.29477897856027 0.39938298928838 39.098 > 3 4 K 0.39613698275422 0.70522102143973 0.89938298928838 39.098 > 4 5 K 0.50000000000000 0.00000000000000 0.15102060787719 39.098 > 5 6 K 0.50000000000000 0.00000000000000 0.65102060787719 39.098 > 6 7 K 0.60386301724577 0.29477897856027 0.89938298928838 39.098 > 7 8 K 0.60386301724577 0.70522102143973 0.39938298928838 39.098 > 8 9 K 0.70522102143973 0.39613698275422 0.60061701071162 39.098 > 9 10 K 0.70522102143973 0.60386301724577 0.10061701071162 39.098 > 10 11 K 0.79477897856027 0.89613698275423 0.89938298928838 39.098 > 11 12 K 0.79477897856027 0.10386301724577 0.39938298928838 39.098 > 12 13 K 0.89613698275423 0.79477897856027 0.60061701071162 39.098 > 13 14 K 0.89613698275423 0.20522102143973 0.10061701071162 39.098 > 14 15 K 0.00000000000000 0.50000000000000 0.34897939212281 39.098 > 15 16 K 0.00000000000000 0.50000000000000 0.84897939212281 39.098 > 16 17 K 0.10386301724577 0.79477897856027 0.10061701071162 39.098 > 17 18 K 0.10386301724577 0.20522102143973 0.60061701071162 39.098 > 18 19 K 0.20522102143973 0.10386301724577 0.89938298928838 39.098 > 19 20 K 0.20522102143973 0.89613698275423 0.39938298928838 39.098 > 20 21 H 0.50000000000000 0.00000000000000 0.40208183332051 1.008 > 21 22 H 0.50000000000000 0.00000000000000 0.90208183332051 1.008 > 22 23 H 0.00000000000000 0.50000000000000 0.09791816667949 1.008 > 23 24 H 0.00000000000000 0.50000000000000 0.59791816667949 1.008 > 24 25 C 0.35284875021403 0.35284875021403 0.75000000000000 12.011 > 25 26 C 0.35284875021403 0.64715124978597 0.25000000000000 12.011 > 26 27 C 0.64715124978597 0.35284875021403 0.25000000000000 12.011 > 27 28 C 0.64715124978597 0.64715124978597 0.75000000000000 12.011 > 28 29 C 0.85284875021403 0.85284875021403 0.25000000000000 12.011 > 29 30 C 0.85284875021403 0.14715124978597 0.75000000000000 12.011 > 30 31 C 0.14715124978597 0.85284875021403 0.75000000000000 12.011 > 31 32 C 0.14715124978597 0.14715124978597 0.25000000000000 12.011 > 32 33 N 0.30585931135027 0.59932211310467 0.34815838519248 14.007 > 33 34 N 0.30585931135027 0.40067788689533 0.84815838519248 14.007 > 34 35 N 0.40067788689533 0.69414068864973 0.15184161480752 14.007 > 35 36 N 0.40067788689533 0.30585931135027 0.65184161480752 14.007 > 36 37 N 0.59932211310467 0.30585931135027 0.15184161480752 14.007 > 37 38 N 0.59932211310467 0.69414068864973 0.65184161480752 14.007 > 38 39 N 0.69414068864973 0.40067788689533 0.34815838519248 14.007 > 39 40 N 0.69414068864973 0.59932211310467 0.84815838519248 14.007 > 40 41 N 0.80585931135027 0.90067788689533 0.15184161480752 14.007 > 41 42 N 0.80585931135027 0.09932211310467 0.65184161480752 14.007 > 42 43 N 0.90067788689533 0.80585931135027 0.34815838519248 14.007 > 43 44 N 0.90067788689533 0.19414068864973 0.84815838519248 14.007 > 44 45 N 0.09932211310467 0.19414068864973 0.34815838519248 14.007 > 45 46 N 0.09932211310467 0.80585931135027 0.84815838519248 14.007 > 46 47 N 0.19414068864973 0.90067788689533 0.65184161480752 14.007 > 47 48 N 0.19414068864973 0.09932211310467 0.15184161480752 14.007 > 48----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.5831932 0.0000000 0.0000000 0.0000000 2.5831932 0.0000000 0.0000000 0.0000000 3.0477134-------------------------- Born effective charges -------------------------- 1 K 1.0844244 0.0440493 -0.0070344 0.0660278 1.1243852 0.0774226 0.1035049 -0.0193992 1.2219211 2 K 1.0844244 -0.0440493 -0.0070344 -0.0660278 1.1243852 -0.0774226 0.1035049 0.0193992 1.2219211 3 K 1.1243852 0.0660278 -0.0774226 0.0440493 1.0844244 0.0070344 0.0193992 -0.1035049 1.2219211 4 K 1.1243852 -0.0660278 -0.0774226 -0.0440493 1.0844244 -0.0070344 0.0193992 0.1035049 1.2219211 5 K 1.1686393 0.0440412 0.0000000 -0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 6 K 1.1686393 -0.0440412 0.0000000 0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 7 K 1.1243852 -0.0660278 0.0774226 -0.0440493 1.0844244 0.0070344 -0.0193992 -0.1035049 1.2219211 8 K 1.1243852 0.0660278 0.0774226 0.0440493 1.0844244 -0.0070344 -0.0193992 0.1035049 1.2219211 9 K 1.0844244 -0.0440493 0.0070344 -0.0660278 1.1243852 0.0774226 -0.1035049 -0.0193992 1.2219211 10 K 1.0844244 0.0440493 0.0070344 0.0660278 1.1243852 -0.0774226 -0.1035049 0.0193992 1.2219211 11 K 1.0844244 0.0440493 0.0070344 0.0660278 1.1243852 -0.0774226 -0.1035049 0.0193992 1.2219211 12 K 1.0844244 -0.0440493 0.0070344 -0.0660278 1.1243852 0.0774226 -0.1035049 -0.0193992 1.2219211 13 K 1.1243852 0.0660278 0.0774226 0.0440493 1.0844244 -0.0070344 -0.0193992 0.1035049 1.2219211 14 K 1.1243852 -0.0660278 0.0774226 -0.0440493 1.0844244 0.0070344 -0.0193992 -0.1035049 1.2219211 15 K 1.1686393 -0.0440412 0.0000000 0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 16 K 1.1686393 0.0440412 0.0000000 -0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 17 K 1.1243852 -0.0660278 -0.0774226 -0.0440493 1.0844244 -0.0070344 0.0193992 0.1035049 1.2219211 18 K 1.1243852 0.0660278 -0.0774226 0.0440493 1.0844244 0.0070344 0.0193992 -0.1035049 1.2219211 19 K 1.0844244 0.0440493 -0.0070344 0.0660278 1.1243852 0.0774226 0.1035049 -0.0193992 1.2219211 20 K 1.0844244 -0.0440493 -0.0070344 -0.0660278 1.1243852 -0.0774226 0.1035049 0.0193992 1.2219211 21 H -0.9344085 -0.0116461 0.0000000 0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 22 H -0.9344085 0.0116461 0.0000000 -0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 23 H -0.9344085 0.0116461 0.0000000 -0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 24 H -0.9344085 -0.0116461 0.0000000 0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 25 C 0.0868292 -0.4936735 -1.2187728 -0.4936735 0.0868292 1.2187728 -1.0866520 1.0866520 2.2438856 26 C 0.0868292 0.4936735 -1.2187728 0.4936735 0.0868292 -1.2187728 -1.0866520 -1.0866520 2.2438856 27 C 0.0868292 0.4936735 1.2187728 0.4936735 0.0868292 1.2187728 1.0866520 1.0866520 2.2438856 28 C 0.0868292 -0.4936735 1.2187728 -0.4936735 0.0868292 -1.2187728 1.0866520 -1.0866520 2.2438856 29 C 0.0868292 -0.4936735 1.2187728 -0.4936735 0.0868292 -1.2187728 1.0866520 -1.0866520 2.2438856 30 C 0.0868292 0.4936735 1.2187728 0.4936735 0.0868292 1.2187728 1.0866520 1.0866520 2.2438856 31 C 0.0868292 0.4936735 -1.2187728 0.4936735 0.0868292 -1.2187728 -1.0866520 -1.0866520 2.2438856 32 C 0.0868292 -0.4936735 -1.2187728 -0.4936735 0.0868292 1.2187728 -1.0866520 1.0866520 2.2438856 33 N -1.1950421 -0.2442653 0.6078182 -0.2324359 -1.2177121 0.5783120 0.4543537 0.4832977 -2.3599165 34 N -1.1950421 0.2442653 0.6078182 0.2324359 -1.2177121 -0.5783120 0.4543537 -0.4832977 -2.3599165 35 N -1.2177121 -0.2324359 0.5783120 -0.2442653 -1.1950421 0.6078182 0.4832977 0.4543537 -2.3599165 36 N -1.2177121 0.2324359 0.5783120 0.2442653 -1.1950421 -0.6078182 0.4832977 -0.4543537 -2.3599165 37 N -1.2177121 -0.2324359 -0.5783120 -0.2442653 -1.1950421 -0.6078182 -0.4832977 -0.4543537 -2.3599165 38 N -1.2177121 0.2324359 -0.5783120 0.2442653 -1.1950421 0.6078182 -0.4832977 0.4543537 -2.3599165 39 N -1.1950421 -0.2442653 -0.6078182 -0.2324359 -1.2177121 -0.5783120 -0.4543537 -0.4832977 -2.3599165 40 N -1.1950421 0.2442653 -0.6078182 0.2324359 -1.2177121 0.5783120 -0.4543537 0.4832977 -2.3599165 41 N -1.1950421 0.2442653 -0.6078182 0.2324359 -1.2177121 0.5783120 -0.4543537 0.4832977 -2.3599165 42 N -1.1950421 -0.2442653 -0.6078182 -0.2324359 -1.2177121 -0.5783120 -0.4543537 -0.4832977 -2.3599165 43 N -1.2177121 0.2324359 -0.5783120 0.2442653 -1.1950421 0.6078182 -0.4832977 0.4543537 -2.3599165 44 N -1.2177121 -0.2324359 -0.5783120 -0.2442653 -1.1950421 -0.6078182 -0.4832977 -0.4543537 -2.3599165 45 N -1.2177121 0.2324359 0.5783120 0.2442653 -1.1950421 -0.6078182 0.4832977 -0.4543537 -2.3599165 46 N -1.2177121 -0.2324359 0.5783120 -0.2442653 -1.1950421 0.6078182 0.4832977 0.4543537 -2.3599165 47 N -1.1950421 -0.2442653 0.6078182 -0.2324359 -1.2177121 0.5783120 0.4543537 0.4832977 -2.3599165 48 N -1.1950421 0.2442653 0.6078182 0.2324359 -1.2177121 -0.5783120 0.4543537 -0.4832977 -2.3599165----------------------------------------------------------------------------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[ 5, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 21, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (zyz) 0.00000000 (yzz) 0.00000000 (yzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-09 03:23:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 03:23:05]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 1 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P4/ncc (130)------------------------------ primitive cell ------------------------------Lattice vectors: a 9.049214890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.049214890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.067520650000001Atomic positions (fractional): 1 K 0.29477897856027 0.39613698275422 0.10061701071162 39.098 2 K 0.29477897856027 0.60386301724577 0.60061701071162 39.098 3 K 0.39613698275422 0.29477897856027 0.39938298928838 39.098 4 K 0.39613698275422 0.70522102143973 0.89938298928838 39.098 5 K 0.50000000000000 0.00000000000000 0.15102060787719 39.098 6 K 0.50000000000000 0.00000000000000 0.65102060787719 39.098 7 K 0.60386301724577 0.29477897856027 0.89938298928838 39.098 8 K 0.60386301724577 0.70522102143973 0.39938298928838 39.098 9 K 0.70522102143973 0.39613698275422 0.60061701071162 39.098 10 K 0.70522102143973 0.60386301724577 0.10061701071162 39.098 11 K 0.79477897856027 0.89613698275423 0.89938298928838 39.098 12 K 0.79477897856027 0.10386301724577 0.39938298928838 39.098 13 K 0.89613698275423 0.79477897856027 0.60061701071162 39.098 14 K 0.89613698275423 0.20522102143973 0.10061701071162 39.098 15 K 0.00000000000000 0.50000000000000 0.34897939212281 39.098 16 K 0.00000000000000 0.50000000000000 0.84897939212281 39.098 17 K 0.10386301724577 0.79477897856027 0.10061701071162 39.098 18 K 0.10386301724577 0.20522102143973 0.60061701071162 39.098 19 K 0.20522102143973 0.10386301724577 0.89938298928838 39.098 20 K 0.20522102143973 0.89613698275423 0.39938298928838 39.098 21 H 0.50000000000000 0.00000000000000 0.40208183332051 1.008 22 H 0.50000000000000 0.00000000000000 0.90208183332051 1.008 23 H 0.00000000000000 0.50000000000000 0.09791816667949 1.008 24 H 0.00000000000000 0.50000000000000 0.59791816667949 1.008 25 C 0.35284875021403 0.35284875021403 0.75000000000000 12.011 26 C 0.35284875021403 0.64715124978597 0.25000000000000 12.011 27 C 0.64715124978597 0.35284875021403 0.25000000000000 12.011 28 C 0.64715124978597 0.64715124978597 0.75000000000000 12.011 29 C 0.85284875021403 0.85284875021403 0.25000000000000 12.011 30 C 0.85284875021403 0.14715124978597 0.75000000000000 12.011 31 C 0.14715124978597 0.85284875021403 0.75000000000000 12.011 32 C 0.14715124978597 0.14715124978597 0.25000000000000 12.011 33 N 0.30585931135027 0.59932211310467 0.34815838519248 14.007 34 N 0.30585931135027 0.40067788689533 0.84815838519248 14.007 35 N 0.40067788689533 0.69414068864973 0.15184161480752 14.007 36 N 0.40067788689533 0.30585931135027 0.65184161480752 14.007 37 N 0.59932211310467 0.30585931135027 0.15184161480752 14.007 38 N 0.59932211310467 0.69414068864973 0.65184161480752 14.007 39 N 0.69414068864973 0.40067788689533 0.34815838519248 14.007 40 N 0.69414068864973 0.59932211310467 0.84815838519248 14.007 41 N 0.80585931135027 0.90067788689533 0.15184161480752 14.007 42 N 0.80585931135027 0.09932211310467 0.65184161480752 14.007 43 N 0.90067788689533 0.80585931135027 0.34815838519248 14.007 44 N 0.90067788689533 0.19414068864973 0.84815838519248 14.007 45 N 0.09932211310467 0.19414068864973 0.34815838519248 14.007 46 N 0.09932211310467 0.80585931135027 0.84815838519248 14.007 47 N 0.19414068864973 0.90067788689533 0.65184161480752 14.007 48 N 0.19414068864973 0.09932211310467 0.15184161480752 14.007-------------------------------- supercell ---------------------------------Lattice vectors: a 9.049214890000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.049214890000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.067520650000001Atomic positions (fractional): 1 K 0.29477897856027 0.39613698275422 0.10061701071162 39.098 > 1 2 K 0.29477897856027 0.60386301724577 0.60061701071162 39.098 > 2 3 K 0.39613698275422 0.29477897856027 0.39938298928838 39.098 > 3 4 K 0.39613698275422 0.70522102143973 0.89938298928838 39.098 > 4 5 K 0.50000000000000 0.00000000000000 0.15102060787719 39.098 > 5 6 K 0.50000000000000 0.00000000000000 0.65102060787719 39.098 > 6 7 K 0.60386301724577 0.29477897856027 0.89938298928838 39.098 > 7 8 K 0.60386301724577 0.70522102143973 0.39938298928838 39.098 > 8 9 K 0.70522102143973 0.39613698275422 0.60061701071162 39.098 > 9 10 K 0.70522102143973 0.60386301724577 0.10061701071162 39.098 > 10 11 K 0.79477897856027 0.89613698275423 0.89938298928838 39.098 > 11 12 K 0.79477897856027 0.10386301724577 0.39938298928838 39.098 > 12 13 K 0.89613698275423 0.79477897856027 0.60061701071162 39.098 > 13 14 K 0.89613698275423 0.20522102143973 0.10061701071162 39.098 > 14 15 K 0.00000000000000 0.50000000000000 0.34897939212281 39.098 > 15 16 K 0.00000000000000 0.50000000000000 0.84897939212281 39.098 > 16 17 K 0.10386301724577 0.79477897856027 0.10061701071162 39.098 > 17 18 K 0.10386301724577 0.20522102143973 0.60061701071162 39.098 > 18 19 K 0.20522102143973 0.10386301724577 0.89938298928838 39.098 > 19 20 K 0.20522102143973 0.89613698275423 0.39938298928838 39.098 > 20 21 H 0.50000000000000 0.00000000000000 0.40208183332051 1.008 > 21 22 H 0.50000000000000 0.00000000000000 0.90208183332051 1.008 > 22 23 H 0.00000000000000 0.50000000000000 0.09791816667949 1.008 > 23 24 H 0.00000000000000 0.50000000000000 0.59791816667949 1.008 > 24 25 C 0.35284875021403 0.35284875021403 0.75000000000000 12.011 > 25 26 C 0.35284875021403 0.64715124978597 0.25000000000000 12.011 > 26 27 C 0.64715124978597 0.35284875021403 0.25000000000000 12.011 > 27 28 C 0.64715124978597 0.64715124978597 0.75000000000000 12.011 > 28 29 C 0.85284875021403 0.85284875021403 0.25000000000000 12.011 > 29 30 C 0.85284875021403 0.14715124978597 0.75000000000000 12.011 > 30 31 C 0.14715124978597 0.85284875021403 0.75000000000000 12.011 > 31 32 C 0.14715124978597 0.14715124978597 0.25000000000000 12.011 > 32 33 N 0.30585931135027 0.59932211310467 0.34815838519248 14.007 > 33 34 N 0.30585931135027 0.40067788689533 0.84815838519248 14.007 > 34 35 N 0.40067788689533 0.69414068864973 0.15184161480752 14.007 > 35 36 N 0.40067788689533 0.30585931135027 0.65184161480752 14.007 > 36 37 N 0.59932211310467 0.30585931135027 0.15184161480752 14.007 > 37 38 N 0.59932211310467 0.69414068864973 0.65184161480752 14.007 > 38 39 N 0.69414068864973 0.40067788689533 0.34815838519248 14.007 > 39 40 N 0.69414068864973 0.59932211310467 0.84815838519248 14.007 > 40 41 N 0.80585931135027 0.90067788689533 0.15184161480752 14.007 > 41 42 N 0.80585931135027 0.09932211310467 0.65184161480752 14.007 > 42 43 N 0.90067788689533 0.80585931135027 0.34815838519248 14.007 > 43 44 N 0.90067788689533 0.19414068864973 0.84815838519248 14.007 > 44 45 N 0.09932211310467 0.19414068864973 0.34815838519248 14.007 > 45 46 N 0.09932211310467 0.80585931135027 0.84815838519248 14.007 > 46 47 N 0.19414068864973 0.90067788689533 0.65184161480752 14.007 > 47 48 N 0.19414068864973 0.09932211310467 0.15184161480752 14.007 > 48----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.5831932 0.0000000 0.0000000 0.0000000 2.5831932 0.0000000 0.0000000 0.0000000 3.0477134-------------------------- Born effective charges -------------------------- 1 K 1.0844244 0.0440493 -0.0070344 0.0660278 1.1243852 0.0774226 0.1035049 -0.0193992 1.2219211 2 K 1.0844244 -0.0440493 -0.0070344 -0.0660278 1.1243852 -0.0774226 0.1035049 0.0193992 1.2219211 3 K 1.1243852 0.0660278 -0.0774226 0.0440493 1.0844244 0.0070344 0.0193992 -0.1035049 1.2219211 4 K 1.1243852 -0.0660278 -0.0774226 -0.0440493 1.0844244 -0.0070344 0.0193992 0.1035049 1.2219211 5 K 1.1686393 0.0440412 0.0000000 -0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 6 K 1.1686393 -0.0440412 0.0000000 0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 7 K 1.1243852 -0.0660278 0.0774226 -0.0440493 1.0844244 0.0070344 -0.0193992 -0.1035049 1.2219211 8 K 1.1243852 0.0660278 0.0774226 0.0440493 1.0844244 -0.0070344 -0.0193992 0.1035049 1.2219211 9 K 1.0844244 -0.0440493 0.0070344 -0.0660278 1.1243852 0.0774226 -0.1035049 -0.0193992 1.2219211 10 K 1.0844244 0.0440493 0.0070344 0.0660278 1.1243852 -0.0774226 -0.1035049 0.0193992 1.2219211 11 K 1.0844244 0.0440493 0.0070344 0.0660278 1.1243852 -0.0774226 -0.1035049 0.0193992 1.2219211 12 K 1.0844244 -0.0440493 0.0070344 -0.0660278 1.1243852 0.0774226 -0.1035049 -0.0193992 1.2219211 13 K 1.1243852 0.0660278 0.0774226 0.0440493 1.0844244 -0.0070344 -0.0193992 0.1035049 1.2219211 14 K 1.1243852 -0.0660278 0.0774226 -0.0440493 1.0844244 0.0070344 -0.0193992 -0.1035049 1.2219211 15 K 1.1686393 -0.0440412 0.0000000 0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 16 K 1.1686393 0.0440412 0.0000000 -0.0440412 1.1686393 0.0000000 0.0000000 0.0000000 0.9446823 17 K 1.1243852 -0.0660278 -0.0774226 -0.0440493 1.0844244 -0.0070344 0.0193992 0.1035049 1.2219211 18 K 1.1243852 0.0660278 -0.0774226 0.0440493 1.0844244 0.0070344 0.0193992 -0.1035049 1.2219211 19 K 1.0844244 0.0440493 -0.0070344 0.0660278 1.1243852 0.0774226 0.1035049 -0.0193992 1.2219211 20 K 1.0844244 -0.0440493 -0.0070344 -0.0660278 1.1243852 -0.0774226 0.1035049 0.0193992 1.2219211 21 H -0.9344085 -0.0116461 0.0000000 0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 22 H -0.9344085 0.0116461 0.0000000 -0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 23 H -0.9344085 0.0116461 0.0000000 -0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 24 H -0.9344085 -0.0116461 0.0000000 0.0116461 -0.9344085 0.0000000 0.0000000 0.0000000 -0.8804717 25 C 0.0868292 -0.4936735 -1.2187728 -0.4936735 0.0868292 1.2187728 -1.0866520 1.0866520 2.2438856 26 C 0.0868292 0.4936735 -1.2187728 0.4936735 0.0868292 -1.2187728 -1.0866520 -1.0866520 2.2438856 27 C 0.0868292 0.4936735 1.2187728 0.4936735 0.0868292 1.2187728 1.0866520 1.0866520 2.2438856 28 C 0.0868292 -0.4936735 1.2187728 -0.4936735 0.0868292 -1.2187728 1.0866520 -1.0866520 2.2438856 29 C 0.0868292 -0.4936735 1.2187728 -0.4936735 0.0868292 -1.2187728 1.0866520 -1.0866520 2.2438856 30 C 0.0868292 0.4936735 1.2187728 0.4936735 0.0868292 1.2187728 1.0866520 1.0866520 2.2438856 31 C 0.0868292 0.4936735 -1.2187728 0.4936735 0.0868292 -1.2187728 -1.0866520 -1.0866520 2.2438856 32 C 0.0868292 -0.4936735 -1.2187728 -0.4936735 0.0868292 1.2187728 -1.0866520 1.0866520 2.2438856 33 N -1.1950421 -0.2442653 0.6078182 -0.2324359 -1.2177121 0.5783120 0.4543537 0.4832977 -2.3599165 34 N -1.1950421 0.2442653 0.6078182 0.2324359 -1.2177121 -0.5783120 0.4543537 -0.4832977 -2.3599165 35 N -1.2177121 -0.2324359 0.5783120 -0.2442653 -1.1950421 0.6078182 0.4832977 0.4543537 -2.3599165 36 N -1.2177121 0.2324359 0.5783120 0.2442653 -1.1950421 -0.6078182 0.4832977 -0.4543537 -2.3599165 37 N -1.2177121 -0.2324359 -0.5783120 -0.2442653 -1.1950421 -0.6078182 -0.4832977 -0.4543537 -2.3599165 38 N -1.2177121 0.2324359 -0.5783120 0.2442653 -1.1950421 0.6078182 -0.4832977 0.4543537 -2.3599165 39 N -1.1950421 -0.2442653 -0.6078182 -0.2324359 -1.2177121 -0.5783120 -0.4543537 -0.4832977 -2.3599165 40 N -1.1950421 0.2442653 -0.6078182 0.2324359 -1.2177121 0.5783120 -0.4543537 0.4832977 -2.3599165 41 N -1.1950421 0.2442653 -0.6078182 0.2324359 -1.2177121 0.5783120 -0.4543537 0.4832977 -2.3599165 42 N -1.1950421 -0.2442653 -0.6078182 -0.2324359 -1.2177121 -0.5783120 -0.4543537 -0.4832977 -2.3599165 43 N -1.2177121 0.2324359 -0.5783120 0.2442653 -1.1950421 0.6078182 -0.4832977 0.4543537 -2.3599165 44 N -1.2177121 -0.2324359 -0.5783120 -0.2442653 -1.1950421 -0.6078182 -0.4832977 -0.4543537 -2.3599165 45 N -1.2177121 0.2324359 0.5783120 0.2442653 -1.1950421 -0.6078182 0.4832977 -0.4543537 -2.3599165 46 N -1.2177121 -0.2324359 0.5783120 -0.2442653 -1.1950421 0.6078182 0.4832977 0.4543537 -2.3599165 47 N -1.1950421 -0.2442653 0.6078182 -0.2324359 -1.2177121 0.5783120 0.4543537 0.4832977 -2.3599165 48 N -1.1950421 0.2442653 0.6078182 0.2324359 -1.2177121 -0.5783120 0.4543537 -0.4832977 -2.3599165----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (zyz) 0.00000000 (yzz) 0.00000000 (yzz)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 6 6 5 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 293, Lambda: 0.07Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/30) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.556 ( 0.000 -0.000 0.000) 0.000 1.707 ( -0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 2.000 ( 0.000 0.000 0.000) 0.000 2.000 ( -0.000 0.000 0.000) 0.000 2.025 ( -0.000 0.000 0.000) 0.000 2.025 ( -0.000 0.000 -0.000) 0.000 2.134 ( -0.000 0.000 0.000) 0.000 2.134 ( -0.000 0.000 -0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 -0.000 -0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 -0.000 -0.000) 0.000 2.587 ( -0.000 -0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.650 ( -0.000 0.000 -0.000) 0.000 2.682 ( -0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 -0.000) 0.000 2.782 ( 0.000 0.000 -0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.117 ( -0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.136 ( -0.000 0.000 -0.000) 0.000 3.136 ( 0.000 0.000 -0.000) 0.000 3.205 ( 0.000 -0.000 0.000) 0.000 3.205 ( 0.000 -0.000 -0.000) 0.000 3.213 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 -0.000) 0.000 3.481 ( -0.000 0.000 -0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 -0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.700 ( -0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.749 ( -0.000 0.000 -0.000) 0.000 3.749 ( 0.000 0.000 0.000) 0.000 3.789 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.837 ( 0.000 -0.000 -0.000) 0.000 3.837 ( 0.000 0.000 0.000) 0.000 3.888 ( -0.000 0.000 0.000) 0.000 3.926 ( 0.000 -0.000 0.000) 0.000 3.926 ( 0.000 -0.000 -0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.311 ( -0.000 0.000 0.000) 0.000 4.311 ( -0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.332 ( 0.000 0.000 -0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.436 ( -0.000 0.000 0.000) 0.000 4.495 ( 0.000 -0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.682 ( -0.000 0.000 -0.000) 0.000 4.711 ( 0.000 0.000 -0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 -0.000 0.000) 0.000 4.758 ( 0.000 0.000 -0.000) 0.000 4.849 ( 0.000 -0.000 -0.000) 0.000 5.168 ( 0.000 -0.000 0.000) 0.000 5.168 ( 0.000 -0.000 0.000) 0.000 5.221 ( 0.000 -0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.231 ( 0.000 0.000 0.000) 0.000 5.246 ( -0.000 0.000 -0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.578 ( -0.000 0.000 -0.000) 0.000 5.589 ( 0.000 0.000 -0.000) 0.000 5.689 ( 0.000 0.000 0.000) 0.000 5.689 ( -0.000 0.000 -0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 -0.000) 0.000 5.722 ( 0.000 -0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 6.014 ( 0.000 -0.000 0.000) 0.000 6.029 ( 0.000 -0.000 0.000) 0.000 6.029 ( -0.000 0.000 0.000) 0.000 6.031 ( 0.000 -0.000 -0.000) 0.000 6.110 ( 0.000 -0.000 0.000) 0.000 6.240 ( 0.000 -0.000 0.000) 0.000 6.240 ( -0.000 0.000 -0.000) 0.000 6.378 ( 0.000 0.000 -0.000) 0.000 6.406 ( -0.000 0.000 0.000) 0.000 6.449 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.766 ( -0.000 0.000 -0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 16.854 ( 0.000 0.000 0.000) 0.000 16.854 ( 0.000 0.000 0.000) 0.000 16.993 ( -0.000 0.000 0.000) 0.000 16.993 ( -0.000 0.000 -0.000) 0.000 17.163 ( 0.000 0.000 0.000) 0.000 17.163 ( 0.000 0.000 0.000) 0.000 17.702 ( -0.000 0.000 -0.000) 0.000 17.702 ( -0.000 0.000 0.000) 0.000 18.529 ( 0.000 0.000 -0.000) 0.000 18.538 ( 0.000 -0.000 0.000) 0.000 19.319 ( 0.000 0.000 -0.000) 0.000 19.319 ( -0.000 0.000 0.000) 0.000 19.323 ( -0.000 0.000 0.000) 0.000 19.323 ( 0.000 0.000 -0.000) 0.000 19.364 ( 0.000 0.000 0.000) 0.000 19.372 ( -0.000 0.000 0.000) 0.000 19.394 ( 0.000 0.000 0.000) 0.000 19.398 ( -0.000 0.000 -0.000) 0.000 19.758 ( 0.000 0.000 -0.000) 0.000 19.760 ( -0.000 0.000 -0.000) 0.000 19.767 ( 0.000 0.000 -0.000) 0.000 19.797 ( 0.000 0.000 0.000) 0.000 19.797 ( -0.000 0.000 0.000) 0.000 19.803 ( 0.000 0.000 0.000) 0.000 19.803 ( 0.000 0.000 0.000) 0.000 19.809 ( -0.000 0.000 0.000) 0.000 20.398 ( 0.000 -0.000 0.000) 0.000 21.017 ( 0.000 0.000 0.000) 0.000 37.401 ( 0.000 -0.000 0.000) 0.000 37.409 ( -0.000 0.000 0.000) 0.000 37.409 ( 0.000 0.000 0.000) 0.000 37.409 ( 0.000 0.000 0.000) 0.000 37.410 ( 0.000 0.000 0.000) 0.000 37.410 ( -0.000 0.000 -0.000) 0.000 37.410 ( 0.000 0.000 -0.000) 0.000 37.431 ( 0.000 0.000 0.000) 0.000 59.648 ( 0.000 0.000 0.000) 0.000 59.739 ( 0.000 0.000 0.000) 0.000 59.739 ( 0.000 0.000 0.000) 0.000 59.942 ( 0.000 0.000 -0.000) 0.000 60.117 ( 0.000 0.000 0.000) 0.000 60.117 ( -0.000 0.000 0.000) 0.000 60.615 ( 0.000 0.000 -0.000) 0.000 61.959 ( 0.000 -0.000 -0.000) 0.000======================= Grid point 1 (2/30) =======================q-point: ( 0.17 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.285 ( 16.486 0.000 0.000) 16.486 0.469 ( 25.241 0.000 0.000) 25.241 0.892 ( 47.627 0.000 0.000) 47.627 1.481 ( -8.007 0.000 0.000) 8.007 1.767 ( 5.804 0.000 0.000) 5.804 1.803 ( 8.880 0.000 0.000) 8.880 2.006 ( -9.123 0.000 0.000) 9.123 2.017 ( 2.596 0.000 0.000) 2.596 2.026 ( 0.853 0.000 0.000) 0.853 2.081 ( 5.533 0.000 0.000) 5.533 2.109 ( 3.977 0.000 0.000) 3.977 2.149 ( 1.408 0.000 0.000) 1.408 2.154 ( -3.000 0.000 0.000) 3.000 2.375 ( 12.708 0.000 0.000) 12.708 2.423 ( -5.340 0.000 0.000) 5.340 2.499 ( -0.630 0.000 0.000) 0.630 2.559 ( 0.162 0.000 0.000) 0.162 2.611 ( 0.775 0.000 0.000) 0.775 2.647 ( -0.243 0.000 0.000) 0.243 2.651 ( 1.222 0.000 0.000) 1.222 2.664 ( -2.877 0.000 0.000) 2.877 2.722 ( 2.663 0.000 0.000) 2.663 2.838 ( 1.916 0.000 0.000) 1.916 2.861 ( 7.595 0.000 0.000) 7.595 2.980 ( -0.924 0.000 0.000) 0.924 3.026 ( 3.295 0.000 0.000) 3.295 3.051 ( -11.012 0.000 0.000) 11.012 3.090 ( -4.655 0.000 0.000) 4.655 3.101 ( -7.532 0.000 0.000) 7.532 3.124 ( 1.479 0.000 0.000) 1.479 3.132 ( 0.824 0.000 0.000) 0.824 3.134 ( -6.812 0.000 0.000) 6.812 3.230 ( -3.273 0.000 0.000) 3.273 3.315 ( 3.687 0.000 0.000) 3.687 3.447 ( -3.272 0.000 0.000) 3.272 3.472 ( -5.070 0.000 0.000) 5.070 3.480 ( -1.310 0.000 0.000) 1.310 3.510 ( -4.503 0.000 0.000) 4.503 3.601 ( -4.507 0.000 0.000) 4.507 3.663 ( -0.970 0.000 0.000) 0.970 3.723 ( 1.849 0.000 0.000) 1.849 3.744 ( 0.683 0.000 0.000) 0.683 3.789 ( -14.932 0.000 0.000) 14.932 3.812 ( -5.027 0.000 0.000) 5.027 3.812 ( 6.412 0.000 0.000) 6.412 3.830 ( -4.154 0.000 0.000) 4.154 3.892 ( 8.894 0.000 0.000) 8.894 3.895 ( -0.788 0.000 0.000) 0.788 3.927 ( 9.489 0.000 0.000) 9.489 3.928 ( 2.825 0.000 0.000) 2.825 4.028 ( 6.639 0.000 0.000) 6.639 4.180 ( -0.750 0.000 0.000) 0.750 4.234 ( -1.907 0.000 0.000) 1.907 4.261 ( -6.205 0.000 0.000) 6.205 4.321 ( 0.680 0.000 0.000) 0.680 4.337 ( 0.100 0.000 0.000) 0.100 4.382 ( -2.239 0.000 0.000) 2.239 4.458 ( 1.017 0.000 0.000) 1.017 4.468 ( -2.623 0.000 0.000) 2.623 4.481 ( 0.104 0.000 0.000) 0.104 4.502 ( -0.983 0.000 0.000) 0.983 4.627 ( -4.983 0.000 0.000) 4.983 4.676 ( -0.237 0.000 0.000) 0.237 4.676 ( 2.657 0.000 0.000) 2.657 4.721 ( -2.010 0.000 0.000) 2.010 4.798 ( 3.674 0.000 0.000) 3.674 4.827 ( 1.148 0.000 0.000) 1.148 4.884 ( 2.012 0.000 0.000) 2.012 5.121 ( -4.772 0.000 0.000) 4.772 5.128 ( -8.009 0.000 0.000) 8.009 5.176 ( -4.431 0.000 0.000) 4.431 5.184 ( -1.286 0.000 0.000) 1.286 5.233 ( -0.783 0.000 0.000) 0.783 5.244 ( 1.452 0.000 0.000) 1.452 5.345 ( -3.770 0.000 0.000) 3.770 5.397 ( 9.317 0.000 0.000) 9.317 5.409 ( -4.030 0.000 0.000) 4.030 5.509 ( -4.499 0.000 0.000) 4.499 5.540 ( 1.653 0.000 0.000) 1.653 5.557 ( 7.988 0.000 0.000) 7.988 5.589 ( -1.306 0.000 0.000) 1.306 5.679 ( -2.015 0.000 0.000) 2.015 5.690 ( 0.496 0.000 0.000) 0.496 5.724 ( -6.341 0.000 0.000) 6.341 5.732 ( 3.252 0.000 0.000) 3.252 5.756 ( 3.403 0.000 0.000) 3.403 5.937 ( 6.099 0.000 0.000) 6.099 6.039 ( 2.615 0.000 0.000) 2.615 6.085 ( -2.506 0.000 0.000) 2.506 6.147 ( 9.827 0.000 0.000) 9.827 6.151 ( 8.203 0.000 0.000) 8.203 6.182 ( -4.866 0.000 0.000) 4.866 6.253 ( 1.548 0.000 0.000) 1.548 6.360 ( -1.571 0.000 0.000) 1.571 6.437 ( -0.515 0.000 0.000) 0.515 6.453 ( 3.073 0.000 0.000) 3.073 6.606 ( -4.110 0.000 0.000) 4.110 6.716 ( -4.968 0.000 0.000) 4.968 6.832 ( 5.916 0.000 0.000) 5.916 7.544 ( -5.080 0.000 0.000) 5.080 16.899 ( 4.802 0.000 0.000) 4.802 16.985 ( 1.174 0.000 0.000) 1.174 17.028 ( 3.609 0.000 0.000) 3.609 17.149 ( -1.509 0.000 0.000) 1.509 17.169 ( 0.501 0.000 0.000) 0.501 17.636 ( -6.853 0.000 0.000) 6.853 17.789 ( 9.174 0.000 0.000) 9.174 18.529 ( 0.038 0.000 0.000) 0.038 18.537 ( -0.126 0.000 0.000) 0.126 18.732 ( -6.230 0.000 0.000) 6.230 19.319 ( -0.092 0.000 0.000) 0.092 19.320 ( -0.227 0.000 0.000) 0.227 19.324 ( 0.185 0.000 0.000) 0.185 19.368 ( 0.377 0.000 0.000) 0.377 19.369 ( -0.437 0.000 0.000) 0.437 19.392 ( -0.128 0.000 0.000) 0.128 19.397 ( -0.057 0.000 0.000) 0.057 19.399 ( -0.504 0.000 0.000) 0.504 19.762 ( 0.413 0.000 0.000) 0.413 19.763 ( 0.366 0.000 0.000) 0.366 19.769 ( 0.249 0.000 0.000) 0.249 19.795 ( -0.185 0.000 0.000) 0.185 19.798 ( 0.135 0.000 0.000) 0.135 19.799 ( -0.343 0.000 0.000) 0.343 19.801 ( -0.258 0.000 0.000) 0.258 19.809 ( 0.027 0.000 0.000) 0.027 20.428 ( 3.322 0.000 0.000) 3.322 20.964 ( -5.535 0.000 0.000) 5.535 37.396 ( -0.665 0.000 0.000) 0.665 37.401 ( 0.080 0.000 0.000) 0.080 37.403 ( -0.564 0.000 0.000) 0.564 37.408 ( -0.025 0.000 0.000) 0.025 37.408 ( -0.098 0.000 0.000) 0.098 37.411 ( -0.005 0.000 0.000) 0.005 37.425 ( 0.777 0.000 0.000) 0.777 37.434 ( 0.293 0.000 0.000) 0.293 59.680 ( 3.379 0.000 0.000) 3.379 59.734 ( -0.593 0.000 0.000) 0.593 59.833 ( -6.417 0.000 0.000) 6.417 60.086 ( -3.294 0.000 0.000) 3.294 60.115 ( 3.650 0.000 0.000) 3.650 60.327 ( 17.234 0.000 0.000) 17.234 60.578 ( -3.943 0.000 0.000) 3.943 61.843 ( -12.143 0.000 0.000) 12.143======================= Grid point 2 (3/30) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.609 ( 18.504 0.000 0.000) 18.504 0.926 ( 24.222 0.000 0.000) 24.222 1.262 ( -14.799 0.000 0.000) 14.799 1.735 ( -18.544 0.000 0.000) 18.544 1.741 ( 43.050 0.000 0.000) 43.050 1.906 ( 9.342 0.000 0.000) 9.342 1.944 ( 5.254 0.000 0.000) 5.254 2.071 ( 3.858 0.000 0.000) 3.858 2.086 ( -2.448 0.000 0.000) 2.448 2.136 ( 9.875 0.000 0.000) 9.875 2.162 ( 0.981 0.000 0.000) 0.981 2.176 ( -0.837 0.000 0.000) 0.837 2.265 ( 7.588 0.000 0.000) 7.588 2.361 ( 2.409 0.000 0.000) 2.409 2.462 ( -1.076 0.000 0.000) 1.076 2.588 ( 4.448 0.000 0.000) 4.448 2.598 ( -3.769 0.000 0.000) 3.769 2.611 ( 6.389 0.000 0.000) 6.389 2.619 ( 0.019 0.000 0.000) 0.019 2.634 ( -1.840 0.000 0.000) 1.840 2.656 ( -2.730 0.000 0.000) 2.730 2.735 ( -1.151 0.000 0.000) 1.151 2.833 ( -12.453 0.000 0.000) 12.453 2.851 ( -9.580 0.000 0.000) 9.580 2.856 ( 4.130 0.000 0.000) 4.130 2.999 ( -6.213 0.000 0.000) 6.213 3.010 ( -1.806 0.000 0.000) 1.806 3.013 ( 7.077 0.000 0.000) 7.077 3.070 ( 1.819 0.000 0.000) 1.819 3.117 ( 0.222 0.000 0.000) 0.222 3.140 ( -5.765 0.000 0.000) 5.765 3.183 ( 1.333 0.000 0.000) 1.333 3.185 ( 8.699 0.000 0.000) 8.699 3.329 ( -17.958 0.000 0.000) 17.958 3.382 ( 1.380 0.000 0.000) 1.380 3.404 ( -1.438 0.000 0.000) 1.438 3.412 ( -5.270 0.000 0.000) 5.270 3.423 ( -3.361 0.000 0.000) 3.361 3.428 ( -6.934 0.000 0.000) 6.934 3.527 ( -4.513 0.000 0.000) 4.513 3.651 ( -0.360 0.000 0.000) 0.360 3.723 ( -4.360 0.000 0.000) 4.360 3.759 ( 1.999 0.000 0.000) 1.999 3.815 ( 0.241 0.000 0.000) 0.241 3.820 ( 1.090 0.000 0.000) 1.090 3.879 ( 0.112 0.000 0.000) 0.112 3.885 ( 6.340 0.000 0.000) 6.340 3.967 ( 1.102 0.000 0.000) 1.102 4.041 ( 6.035 0.000 0.000) 6.035 4.085 ( 6.186 0.000 0.000) 6.186 4.114 ( -5.337 0.000 0.000) 5.337 4.114 ( 0.724 0.000 0.000) 0.724 4.157 ( -3.323 0.000 0.000) 3.323 4.240 ( 3.224 0.000 0.000) 3.224 4.293 ( -3.680 0.000 0.000) 3.680 4.299 ( -3.988 0.000 0.000) 3.988 4.306 ( -4.721 0.000 0.000) 4.721 4.437 ( 0.485 0.000 0.000) 0.485 4.442 ( -3.115 0.000 0.000) 3.115 4.501 ( 1.368 0.000 0.000) 1.368 4.524 ( 1.993 0.000 0.000) 1.993 4.537 ( -3.858 0.000 0.000) 3.858 4.674 ( -0.183 0.000 0.000) 0.183 4.701 ( -2.236 0.000 0.000) 2.236 4.715 ( 1.613 0.000 0.000) 1.613 4.836 ( -0.909 0.000 0.000) 0.909 4.874 ( 4.201 0.000 0.000) 4.201 4.910 ( 2.448 0.000 0.000) 2.448 4.997 ( -3.132 0.000 0.000) 3.132 5.058 ( -2.128 0.000 0.000) 2.128 5.088 ( -4.533 0.000 0.000) 4.533 5.112 ( -5.720 0.000 0.000) 5.720 5.268 ( 2.756 0.000 0.000) 2.756 5.279 ( 1.785 0.000 0.000) 1.785 5.300 ( -0.525 0.000 0.000) 0.525 5.347 ( -2.431 0.000 0.000) 2.431 5.450 ( -1.739 0.000 0.000) 1.739 5.519 ( -4.757 0.000 0.000) 4.757 5.525 ( 3.731 0.000 0.000) 3.731 5.559 ( -0.049 0.000 0.000) 0.049 5.660 ( 2.589 0.000 0.000) 2.589 5.670 ( 0.416 0.000 0.000) 0.416 5.701 ( 3.226 0.000 0.000) 3.226 5.754 ( 6.907 0.000 0.000) 6.907 5.775 ( 0.950 0.000 0.000) 0.950 5.828 ( 4.334 0.000 0.000) 4.334 5.991 ( -1.753 0.000 0.000) 1.753 6.010 ( -5.485 0.000 0.000) 5.485 6.085 ( 2.019 0.000 0.000) 2.019 6.114 ( -1.092 0.000 0.000) 1.092 6.278 ( 5.245 0.000 0.000) 5.245 6.296 ( 2.664 0.000 0.000) 2.664 6.325 ( 8.404 0.000 0.000) 8.404 6.337 ( -0.540 0.000 0.000) 0.540 6.428 ( 0.100 0.000 0.000) 0.100 6.492 ( -7.331 0.000 0.000) 7.331 6.501 ( 1.433 0.000 0.000) 1.433 6.606 ( -6.219 0.000 0.000) 6.219 6.995 ( 10.981 0.000 0.000) 10.981 7.409 ( -9.382 0.000 0.000) 9.382 17.016 ( 2.166 0.000 0.000) 2.166 17.021 ( 7.822 0.000 0.000) 7.822 17.111 ( -2.513 0.000 0.000) 2.513 17.114 ( 5.664 0.000 0.000) 5.664 17.172 ( -0.542 0.000 0.000) 0.542 17.467 ( -10.935 0.000 0.000) 10.935 18.017 ( 14.765 0.000 0.000) 14.765 18.530 ( -1.777 0.000 0.000) 1.777 18.531 ( 0.092 0.000 0.000) 0.092 18.566 ( -10.373 0.000 0.000) 10.373 19.316 ( -0.143 0.000 0.000) 0.143 19.317 ( -0.112 0.000 0.000) 0.112 19.330 ( 0.415 0.000 0.000) 0.415 19.355 ( -0.889 0.000 0.000) 0.889 19.376 ( 0.441 0.000 0.000) 0.441 19.389 ( -0.253 0.000 0.000) 0.253 19.393 ( -0.087 0.000 0.000) 0.087 19.396 ( -0.107 0.000 0.000) 0.107 19.772 ( 0.530 0.000 0.000) 0.530 19.772 ( 0.613 0.000 0.000) 0.613 19.775 ( 0.394 0.000 0.000) 0.394 19.790 ( -0.332 0.000 0.000) 0.332 19.792 ( -0.478 0.000 0.000) 0.478 19.794 ( -0.464 0.000 0.000) 0.464 19.802 ( 0.218 0.000 0.000) 0.218 19.809 ( -0.107 0.000 0.000) 0.107 20.520 ( 6.517 0.000 0.000) 6.517 20.828 ( -8.711 0.000 0.000) 8.711 37.386 ( -0.349 0.000 0.000) 0.349 37.391 ( -0.574 0.000 0.000) 0.574 37.403 ( 0.118 0.000 0.000) 0.118 37.407 ( -0.084 0.000 0.000) 0.084 37.408 ( -0.008 0.000 0.000) 0.008 37.410 ( -0.076 0.000 0.000) 0.076 37.437 ( 0.500 0.000 0.000) 0.500 37.440 ( 0.267 0.000 0.000) 0.267 59.721 ( -0.595 0.000 0.000) 0.595 59.747 ( -2.917 0.000 0.000) 2.917 59.767 ( 5.806 0.000 0.000) 5.806 60.001 ( -5.722 0.000 0.000) 5.722 60.210 ( 6.437 0.000 0.000) 6.437 60.477 ( -6.728 0.000 0.000) 6.728 60.695 ( 22.107 0.000 0.000) 22.107 61.535 ( -20.490 0.000 0.000) 20.490======================= Grid point 3 (4/30) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( -18.252 0.000 0.000) 18.252 0.952 ( 18.252 0.000 0.000) 18.252 1.355 ( -22.251 0.000 0.000) 22.251 1.355 ( 22.251 0.000 0.000) 22.251 2.025 ( -4.008 0.000 0.000) 4.008 2.025 ( 4.008 0.000 0.000) 4.008 2.064 ( -8.651 0.000 0.000) 8.651 2.064 ( 8.651 0.000 0.000) 8.651 2.143 ( -3.029 0.000 0.000) 3.029 2.143 ( 3.029 0.000 0.000) 3.029 2.296 ( -5.447 0.000 0.000) 5.447 2.296 ( 5.447 0.000 0.000) 5.447 2.436 ( -18.412 0.000 0.000) 18.412 2.436 ( 18.412 0.000 0.000) 18.412 2.524 ( -8.090 0.000 0.000) 8.090 2.524 ( 8.090 0.000 0.000) 8.090 2.533 ( -1.891 0.000 0.000) 1.891 2.533 ( 1.891 0.000 0.000) 1.891 2.626 ( -0.242 0.000 0.000) 0.242 2.626 ( 0.242 0.000 0.000) 0.242 2.663 ( -1.051 0.000 0.000) 1.051 2.663 ( 1.051 0.000 0.000) 1.051 2.706 ( -6.236 0.000 0.000) 6.236 2.706 ( 6.236 0.000 0.000) 6.236 2.934 ( -2.727 0.000 0.000) 2.727 2.934 ( 2.727 0.000 0.000) 2.727 2.996 ( -7.162 0.000 0.000) 7.162 2.996 ( 7.162 0.000 0.000) 7.162 3.072 ( -3.335 0.000 0.000) 3.335 3.072 ( 3.335 0.000 0.000) 3.335 3.098 ( -0.020 0.000 0.000) 0.020 3.098 ( 0.020 0.000 0.000) 0.020 3.325 ( -4.715 0.000 0.000) 4.715 3.325 ( 4.715 0.000 0.000) 4.715 3.326 ( -4.794 0.000 0.000) 4.794 3.326 ( 4.794 0.000 0.000) 4.794 3.413 ( -0.745 0.000 0.000) 0.745 3.413 ( 0.745 0.000 0.000) 0.745 3.430 ( -4.929 0.000 0.000) 4.929 3.430 ( 4.929 0.000 0.000) 4.929 3.662 ( -1.985 0.000 0.000) 1.985 3.662 ( 1.985 0.000 0.000) 1.985 3.794 ( -1.686 0.000 0.000) 1.686 3.794 ( 1.686 0.000 0.000) 1.686 3.841 ( -2.631 0.000 0.000) 2.631 3.841 ( 2.631 0.000 0.000) 2.631 3.983 ( -3.974 0.000 0.000) 3.974 3.983 ( 3.974 0.000 0.000) 3.974 4.100 ( -0.203 0.000 0.000) 0.203 4.100 ( 0.203 0.000 0.000) 0.203 4.105 ( -9.867 0.000 0.000) 9.867 4.105 ( 9.867 0.000 0.000) 9.867 4.208 ( -3.287 0.000 0.000) 3.287 4.208 ( 3.287 0.000 0.000) 3.287 4.209 ( -4.312 0.000 0.000) 4.312 4.209 ( 4.312 0.000 0.000) 4.312 4.357 ( -5.876 0.000 0.000) 5.876 4.357 ( 5.876 0.000 0.000) 5.876 4.474 ( -2.955 0.000 0.000) 2.955 4.474 ( 2.955 0.000 0.000) 2.955 4.530 ( -1.130 0.000 0.000) 1.130 4.530 ( 1.130 0.000 0.000) 1.130 4.669 ( -0.107 0.000 0.000) 0.107 4.669 ( 0.107 0.000 0.000) 0.107 4.779 ( -4.569 0.000 0.000) 4.569 4.779 ( 4.569 0.000 0.000) 4.569 4.936 ( -1.989 0.000 0.000) 1.989 4.936 ( 1.989 0.000 0.000) 1.989 5.008 ( -4.138 0.000 0.000) 4.138 5.008 ( 4.138 0.000 0.000) 4.138 5.045 ( -1.042 0.000 0.000) 1.042 5.045 ( 1.042 0.000 0.000) 1.042 5.298 ( -0.297 0.000 0.000) 0.297 5.298 ( 0.297 0.000 0.000) 0.297 5.312 ( -1.877 0.000 0.000) 1.877 5.312 ( 1.877 0.000 0.000) 1.877 5.451 ( -2.047 0.000 0.000) 2.047 5.451 ( 2.047 0.000 0.000) 2.047 5.552 ( -0.425 0.000 0.000) 0.425 5.552 ( 0.425 0.000 0.000) 0.425 5.686 ( -0.026 0.000 0.000) 0.026 5.686 ( 0.026 0.000 0.000) 0.026 5.760 ( -2.426 0.000 0.000) 2.426 5.760 ( 2.426 0.000 0.000) 2.426 5.890 ( -7.272 0.000 0.000) 7.272 5.890 ( 7.272 0.000 0.000) 7.272 5.914 ( -4.972 0.000 0.000) 4.972 5.914 ( 4.972 0.000 0.000) 4.972 6.109 ( -0.631 0.000 0.000) 0.631 6.109 ( 0.631 0.000 0.000) 0.631 6.331 ( -0.752 0.000 0.000) 0.752 6.331 ( 0.752 0.000 0.000) 0.752 6.368 ( -5.463 0.000 0.000) 5.463 6.368 ( 5.463 0.000 0.000) 5.463 6.427 ( -1.992 0.000 0.000) 1.992 6.427 ( 1.992 0.000 0.000) 1.992 6.519 ( -2.295 0.000 0.000) 2.295 6.519 ( 2.295 0.000 0.000) 2.295 7.210 ( -11.789 0.000 0.000) 11.789 7.210 ( 11.789 0.000 0.000) 11.789 17.062 ( -2.706 0.000 0.000) 2.706 17.062 ( 2.706 0.000 0.000) 2.706 17.137 ( -3.740 0.000 0.000) 3.740 17.137 ( 3.740 0.000 0.000) 3.740 17.261 ( -10.502 0.000 0.000) 10.502 17.261 ( 10.502 0.000 0.000) 10.502 18.302 ( -15.402 0.000 0.000) 15.402 18.302 ( 15.402 0.000 0.000) 15.402 18.533 ( -0.177 0.000 0.000) 0.177 18.533 ( 0.177 0.000 0.000) 0.177 19.315 ( -0.013 0.000 0.000) 0.013 19.315 ( 0.013 0.000 0.000) 0.013 19.340 ( -0.708 0.000 0.000) 0.708 19.340 ( 0.708 0.000 0.000) 0.708 19.383 ( -0.366 0.000 0.000) 0.366 19.383 ( 0.366 0.000 0.000) 0.366 19.394 ( -0.102 0.000 0.000) 0.102 19.394 ( 0.102 0.000 0.000) 0.102 19.782 ( -0.543 0.000 0.000) 0.543 19.782 ( 0.543 0.000 0.000) 0.543 19.782 ( -0.072 0.000 0.000) 0.072 19.782 ( 0.072 0.000 0.000) 0.072 19.785 ( -0.258 0.000 0.000) 0.258 19.785 ( 0.258 0.000 0.000) 0.258 19.806 ( -0.207 0.000 0.000) 0.207 19.806 ( 0.207 0.000 0.000) 0.207 20.663 ( -8.760 0.000 0.000) 8.760 20.663 ( 8.760 0.000 0.000) 8.760 37.384 ( -0.146 0.000 0.000) 0.146 37.384 ( 0.146 0.000 0.000) 0.146 37.405 ( -0.086 0.000 0.000) 0.086 37.405 ( 0.086 0.000 0.000) 0.086 37.408 ( -0.068 0.000 0.000) 0.068 37.408 ( 0.068 0.000 0.000) 0.068 37.442 ( -0.061 0.000 0.000) 0.061 37.442 ( 0.061 0.000 0.000) 0.061 59.718 ( -0.480 0.000 0.000) 0.480 59.718 ( 0.480 0.000 0.000) 0.480 59.884 ( -6.647 0.000 0.000) 6.647 59.884 ( 6.647 0.000 0.000) 6.647 60.342 ( -7.605 0.000 0.000) 7.605 60.342 ( 7.605 0.000 0.000) 7.605 61.121 ( -23.586 0.000 0.000) 23.586 61.121 ( 23.586 0.000 0.000) 23.586======================= Grid point 8 (5/30) =======================q-point: ( 0.17 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.395 ( 11.124 11.124 0.000) 15.731 0.770 ( 20.196 20.196 0.000) 28.561 1.182 ( 30.811 30.811 0.000) 43.573 1.438 ( -5.307 -5.307 0.000) 7.506 1.754 ( 1.659 1.659 0.000) 2.346 1.936 ( 10.179 10.179 0.000) 14.395 1.975 ( -1.080 -1.080 0.000) 1.527 1.991 ( -2.427 -2.427 0.000) 3.432 2.077 ( -2.738 -2.738 0.000) 3.872 2.084 ( 4.437 4.437 0.000) 6.276 2.121 ( 1.415 1.415 0.000) 2.002 2.168 ( 0.310 0.310 0.000) 0.439 2.203 ( 5.499 5.499 0.000) 7.777 2.391 ( 5.437 5.437 0.000) 7.690 2.392 ( -4.247 -4.247 0.000) 6.006 2.501 ( 1.381 1.381 0.000) 1.954 2.589 ( 2.671 2.671 0.000) 3.778 2.619 ( -3.725 -3.725 0.000) 5.268 2.632 ( 1.638 1.638 0.000) 2.317 2.651 ( -0.948 -0.948 0.000) 1.341 2.653 ( 0.111 0.111 0.000) 0.156 2.771 ( 3.341 3.341 0.000) 4.725 2.777 ( -1.115 -1.115 0.000) 1.576 2.914 ( -6.504 -6.504 0.000) 9.197 2.980 ( -6.014 -6.014 0.000) 8.506 2.982 ( 5.691 5.691 0.000) 8.048 3.027 ( 2.003 2.003 0.000) 2.832 3.048 ( -4.073 -4.073 0.000) 5.759 3.055 ( -2.989 -2.989 0.000) 4.227 3.104 ( -0.846 -0.846 0.000) 1.197 3.129 ( -1.585 -1.585 0.000) 2.242 3.158 ( 2.786 2.786 0.000) 3.940 3.228 ( -2.781 -2.781 0.000) 3.934 3.263 ( -3.576 -3.576 0.000) 5.057 3.426 ( -1.651 -1.651 0.000) 2.335 3.485 ( -3.663 -3.663 0.000) 5.181 3.489 ( 1.171 1.171 0.000) 1.656 3.501 ( 0.697 0.697 0.000) 0.986 3.581 ( -1.250 -1.250 0.000) 1.768 3.675 ( 1.276 1.276 0.000) 1.805 3.709 ( -1.869 -1.869 0.000) 2.643 3.733 ( -8.598 -8.598 0.000) 12.160 3.754 ( 1.157 1.157 0.000) 1.636 3.758 ( -4.770 -4.770 0.000) 6.746 3.791 ( -0.471 -0.471 0.000) 0.666 3.839 ( 2.939 2.939 0.000) 4.156 3.947 ( 4.005 4.005 0.000) 5.664 3.957 ( 1.532 1.532 0.000) 2.166 3.958 ( -0.764 -0.764 0.000) 1.080 3.961 ( 6.325 6.325 0.000) 8.945 4.033 ( 1.773 1.773 0.000) 2.507 4.127 ( -0.956 -0.956 0.000) 1.352 4.167 ( -2.164 -2.164 0.000) 3.060 4.255 ( -3.151 -3.151 0.000) 4.457 4.285 ( -1.161 -1.161 0.000) 1.642 4.373 ( -1.981 -1.981 0.000) 2.802 4.375 ( -2.434 -2.434 0.000) 3.443 4.444 ( 0.059 0.059 0.000) 0.083 4.452 ( 0.142 0.142 0.000) 0.201 4.467 ( 0.014 0.014 0.000) 0.020 4.485 ( -1.722 -1.722 0.000) 2.436 4.663 ( -0.875 -0.875 0.000) 1.237 4.666 ( -0.335 -0.335 0.000) 0.473 4.693 ( 2.278 2.278 0.000) 3.222 4.705 ( -0.204 -0.204 0.000) 0.289 4.798 ( -1.135 -1.135 0.000) 1.605 4.823 ( 2.624 2.624 0.000) 3.711 4.904 ( 0.876 0.876 0.000) 1.239 5.094 ( -2.621 -2.621 0.000) 3.706 5.106 ( -3.636 -3.636 0.000) 5.142 5.133 ( -2.360 -2.360 0.000) 3.338 5.139 ( -5.500 -5.500 0.000) 7.778 5.295 ( 4.847 4.847 0.000) 6.854 5.297 ( -4.533 -4.533 0.000) 6.410 5.344 ( -2.274 -2.274 0.000) 3.216 5.345 ( 3.883 3.883 0.000) 5.492 5.359 ( -5.036 -5.036 0.000) 7.122 5.474 ( 2.148 2.148 0.000) 3.038 5.484 ( -3.153 -3.153 0.000) 4.459 5.533 ( -3.993 -3.993 0.000) 5.646 5.566 ( 2.984 2.984 0.000) 4.220 5.617 ( 1.023 1.023 0.000) 1.447 5.626 ( -2.279 -2.279 0.000) 3.222 5.719 ( 1.191 1.191 0.000) 1.684 5.863 ( 5.514 5.514 0.000) 7.798 5.953 ( 1.687 1.687 0.000) 2.386 6.026 ( 5.391 5.391 0.000) 7.624 6.045 ( -1.917 -1.917 0.000) 2.711 6.077 ( 2.520 2.520 0.000) 3.564 6.093 ( 3.704 3.704 0.000) 5.238 6.144 ( -2.783 -2.783 0.000) 3.935 6.217 ( 4.888 4.888 0.000) 6.912 6.282 ( 1.947 1.947 0.000) 2.754 6.358 ( 0.191 0.191 0.000) 0.271 6.426 ( -0.844 -0.844 0.000) 1.194 6.447 ( -0.166 -0.166 0.000) 0.235 6.622 ( 0.051 0.051 0.000) 0.072 6.679 ( -3.733 -3.733 0.000) 5.280 6.868 ( 4.940 4.940 0.000) 6.987 7.530 ( -3.219 -3.219 0.000) 4.553 16.855 ( -0.056 -0.056 0.000) 0.079 16.989 ( 0.774 0.774 0.000) 1.095 17.059 ( 3.277 3.277 0.000) 4.634 17.133 ( -1.540 -1.540 0.000) 2.177 17.179 ( 0.722 0.722 0.000) 1.021 17.533 ( -8.757 -8.757 0.000) 12.384 17.910 ( 10.641 10.641 0.000) 15.049 18.530 ( 0.027 0.027 0.000) 0.038 18.536 ( -0.099 -0.099 0.000) 0.139 18.752 ( -1.864 -1.864 0.000) 2.637 19.318 ( -0.091 -0.091 0.000) 0.129 19.320 ( -0.117 -0.117 0.000) 0.165 19.323 ( 0.013 0.013 0.000) 0.019 19.361 ( -0.724 -0.724 0.000) 1.023 19.372 ( 0.366 0.366 0.000) 0.518 19.381 ( -0.101 -0.101 0.000) 0.143 19.397 ( 0.007 0.007 0.000) 0.010 19.416 ( 0.230 0.230 0.000) 0.325 19.762 ( 0.114 0.114 0.000) 0.161 19.768 ( 0.426 0.426 0.000) 0.602 19.772 ( 0.240 0.240 0.000) 0.340 19.796 ( -0.050 -0.050 0.000) 0.071 19.796 ( -0.346 -0.346 0.000) 0.489 19.797 ( 0.014 0.014 0.000) 0.020 19.798 ( -0.195 -0.195 0.000) 0.275 19.810 ( -0.010 -0.010 0.000) 0.014 20.453 ( 2.734 2.734 0.000) 3.866 20.917 ( -4.936 -4.936 0.000) 6.980 37.387 ( -0.590 -0.590 0.000) 0.834 37.393 ( -0.632 -0.632 0.000) 0.894 37.403 ( 0.111 0.111 0.000) 0.157 37.410 ( 0.030 0.030 0.000) 0.042 37.413 ( 0.243 0.243 0.000) 0.344 37.417 ( 0.312 0.312 0.000) 0.441 37.426 ( 0.286 0.286 0.000) 0.405 37.435 ( 0.112 0.112 0.000) 0.159 59.693 ( 3.299 3.299 0.000) 4.665 59.788 ( -3.032 -3.032 0.000) 4.288 59.829 ( 3.820 3.820 0.000) 5.402 60.066 ( -0.744 -0.744 0.000) 1.052 60.134 ( 0.784 0.784 0.000) 1.109 60.385 ( 8.302 8.302 0.000) 11.741 60.545 ( -3.058 -3.058 0.000) 4.325 61.735 ( -11.386 -11.386 0.000) 16.103======================= Grid point 9 (6/30) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.657 ( 16.346 5.494 0.000) 17.245 1.112 ( 15.125 14.984 0.000) 21.290 1.280 ( -8.775 3.073 0.000) 9.298 1.780 ( 13.069 -2.428 0.000) 13.292 1.821 ( -15.059 8.346 0.000) 17.217 1.888 ( 27.641 8.148 0.000) 28.817 2.002 ( -4.848 -6.626 0.000) 8.210 2.009 ( 6.963 3.914 0.000) 7.988 2.118 ( 7.041 6.266 0.000) 9.426 2.161 ( 1.753 -1.762 0.000) 2.486 2.205 ( 8.965 6.085 0.000) 10.835 2.239 ( 2.146 4.552 0.000) 5.033 2.252 ( 2.490 2.125 0.000) 3.273 2.346 ( 1.642 -3.209 0.000) 3.604 2.481 ( 1.482 0.853 0.000) 1.710 2.534 ( -4.682 -5.016 0.000) 6.862 2.593 ( 5.603 -0.047 0.000) 5.603 2.612 ( -3.658 -3.185 0.000) 4.850 2.630 ( 2.529 2.387 0.000) 3.477 2.658 ( 0.282 2.241 0.000) 2.258 2.668 ( 2.788 2.211 0.000) 3.558 2.757 ( -8.553 -4.521 0.000) 9.675 2.766 ( -1.919 2.628 0.000) 3.254 2.795 ( 1.494 -2.232 0.000) 2.685 2.873 ( -6.770 -2.590 0.000) 7.248 2.964 ( -4.688 -1.522 0.000) 4.928 2.987 ( -2.204 -1.881 0.000) 2.898 3.033 ( 1.545 -0.386 0.000) 1.592 3.099 ( 2.854 -3.986 0.000) 4.903 3.110 ( -3.336 1.564 0.000) 3.684 3.132 ( -1.052 0.470 0.000) 1.152 3.165 ( 6.848 3.859 0.000) 7.860 3.218 ( 2.117 0.979 0.000) 2.332 3.255 ( 0.149 -8.335 0.000) 8.337 3.350 ( -16.426 2.469 0.000) 16.610 3.393 ( -5.610 -2.114 0.000) 5.995 3.458 ( -7.397 2.382 0.000) 7.771 3.470 ( -1.453 4.185 0.000) 4.430 3.490 ( -1.295 4.049 0.000) 4.251 3.564 ( -1.614 2.548 0.000) 3.016 3.662 ( -2.050 0.964 0.000) 2.266 3.685 ( -2.107 -2.473 0.000) 3.249 3.716 ( 1.269 -5.778 0.000) 5.915 3.775 ( 2.360 2.187 0.000) 3.217 3.858 ( 7.443 1.114 0.000) 7.526 3.879 ( -1.239 -1.170 0.000) 1.704 3.908 ( -2.362 -0.474 0.000) 2.409 3.981 ( 2.468 -4.186 0.000) 4.859 4.047 ( 2.507 -0.241 0.000) 2.519 4.058 ( 5.600 -1.832 0.000) 5.892 4.095 ( 2.032 3.611 0.000) 4.143 4.108 ( -2.513 -0.753 0.000) 2.623 4.181 ( -3.387 3.432 0.000) 4.822 4.203 ( 6.420 -2.191 0.000) 6.783 4.270 ( -4.923 -0.502 0.000) 4.948 4.282 ( -1.417 -1.774 0.000) 2.271 4.307 ( -5.205 -1.902 0.000) 5.542 4.429 ( -3.759 -1.613 0.000) 4.091 4.456 ( 0.720 1.227 0.000) 1.423 4.460 ( 0.267 -1.699 0.000) 1.720 4.493 ( 1.377 -2.154 0.000) 2.557 4.602 ( -5.414 4.142 0.000) 6.817 4.652 ( -0.173 -1.873 0.000) 1.881 4.699 ( -3.103 -0.573 0.000) 3.155 4.726 ( 2.053 1.209 0.000) 2.383 4.804 ( 0.248 -3.803 0.000) 3.811 4.884 ( 3.817 1.642 0.000) 4.155 4.907 ( 1.691 -1.467 0.000) 2.239 5.017 ( -3.946 1.876 0.000) 4.369 5.037 ( -3.404 -2.538 0.000) 4.246 5.069 ( -0.166 -0.710 0.000) 0.729 5.104 ( -1.144 -1.659 0.000) 2.015 5.205 ( -5.032 -0.370 0.000) 5.046 5.238 ( -5.579 -3.250 0.000) 6.457 5.323 ( 0.441 -9.623 0.000) 9.633 5.400 ( 4.568 0.794 0.000) 4.636 5.425 ( -0.257 -0.697 0.000) 0.743 5.436 ( -1.054 1.370 0.000) 1.728 5.497 ( 3.063 -1.762 0.000) 3.534 5.519 ( 1.601 -3.081 0.000) 3.472 5.591 ( -0.778 -3.583 0.000) 3.666 5.606 ( 0.146 1.640 0.000) 1.646 5.712 ( 7.245 -3.447 0.000) 8.023 5.755 ( 2.823 0.333 0.000) 2.842 5.890 ( -1.790 4.912 0.000) 5.228 5.951 ( -4.865 1.404 0.000) 5.064 5.979 ( -0.421 -1.623 0.000) 1.677 6.002 ( -4.099 4.512 0.000) 6.096 6.109 ( -0.194 0.929 0.000) 0.949 6.119 ( 1.897 3.279 0.000) 3.789 6.251 ( 6.006 -2.193 0.000) 6.394 6.303 ( 3.612 1.451 0.000) 3.893 6.317 ( 1.722 1.166 0.000) 2.080 6.404 ( 5.292 3.966 0.000) 6.613 6.426 ( -2.746 -2.289 0.000) 3.575 6.432 ( 1.879 1.193 0.000) 2.226 6.592 ( -2.629 4.439 0.000) 5.159 6.596 ( -4.772 -0.943 0.000) 4.864 7.020 ( 10.659 3.004 0.000) 11.075 7.418 ( -8.604 -0.112 0.000) 8.605 16.928 ( 7.215 -7.449 0.000) 10.370 17.014 ( 1.810 0.013 0.000) 1.810 17.096 ( -2.287 -1.309 0.000) 2.635 17.132 ( 4.164 2.594 0.000) 4.906 17.182 ( -1.040 0.238 0.000) 1.066 17.348 ( -10.609 -9.960 0.000) 14.552 18.146 ( 14.362 11.529 0.000) 18.417 18.531 ( 0.076 -0.001 0.000) 0.076 18.533 ( -0.237 0.016 0.000) 0.238 18.640 ( -9.642 5.113 0.000) 10.914 19.316 ( -0.088 -0.082 0.000) 0.121 19.317 ( -0.173 0.002 0.000) 0.173 19.327 ( 0.320 -0.273 0.000) 0.420 19.347 ( -0.744 -0.724 0.000) 1.039 19.379 ( 0.339 0.248 0.000) 0.420 19.382 ( 0.087 -0.140 0.000) 0.164 19.398 ( 0.104 0.270 0.000) 0.289 19.411 ( -0.511 0.966 0.000) 1.092 19.767 ( 0.466 -0.206 0.000) 0.509 19.777 ( 0.391 0.224 0.000) 0.451 19.778 ( 0.508 0.295 0.000) 0.587 19.788 ( -0.538 -0.350 0.000) 0.642 19.792 ( -0.316 0.144 0.000) 0.347 19.793 ( -0.318 -0.064 0.000) 0.324 19.800 ( 0.230 -0.138 0.000) 0.268 19.808 ( -0.138 -0.057 0.000) 0.150 20.529 ( 5.489 1.119 0.000) 5.602 20.796 ( -7.679 -3.307 0.000) 8.361 37.378 ( -0.334 -0.580 0.000) 0.669 37.382 ( -0.516 -0.664 0.000) 0.841 37.406 ( 0.194 0.176 0.000) 0.262 37.411 ( 0.009 0.111 0.000) 0.111 37.415 ( -0.017 0.571 0.000) 0.571 37.417 ( -0.167 0.738 0.000) 0.757 37.435 ( 0.457 -0.209 0.000) 0.502 37.438 ( 0.199 -0.147 0.000) 0.248 59.755 ( -0.425 1.123 0.000) 1.200 59.785 ( 4.970 5.671 0.000) 7.541 59.827 ( -0.844 6.694 0.000) 6.747 60.071 ( -6.258 6.482 0.000) 9.010 60.144 ( 7.359 -6.220 0.000) 9.636 60.428 ( -6.196 -5.099 0.000) 8.024 60.679 ( 18.598 -1.105 0.000) 18.631 61.447 ( -19.174 -9.328 0.000) 21.323======================= Grid point 10 (7/30) =======================q-point: (-0.50 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( -16.517 2.150 0.000) 16.656 0.967 ( 16.517 2.150 0.000) 16.656 1.501 ( -18.683 13.884 0.000) 23.277 1.501 ( 18.683 13.884 0.000) 23.277 1.901 ( -5.842 -8.309 0.000) 10.157 1.901 ( 5.842 -8.309 0.000) 10.157 2.103 ( -6.338 1.321 0.000) 6.475 2.103 ( 6.338 1.321 0.000) 6.475 2.208 ( -2.905 5.178 0.000) 5.937 2.208 ( 2.905 5.178 0.000) 5.937 2.312 ( -2.111 1.729 0.000) 2.729 2.312 ( 2.111 1.729 0.000) 2.729 2.433 ( -5.186 -3.754 0.000) 6.402 2.433 ( 5.186 -3.754 0.000) 6.402 2.511 ( -14.218 3.393 0.000) 14.617 2.511 ( 14.218 3.393 0.000) 14.617 2.530 ( -0.495 -0.371 0.000) 0.619 2.530 ( 0.495 -0.371 0.000) 0.619 2.639 ( -4.494 1.452 0.000) 4.723 2.639 ( 4.494 1.452 0.000) 4.723 2.701 ( -0.979 3.713 0.000) 3.840 2.701 ( 0.979 3.713 0.000) 3.840 2.746 ( -6.430 1.621 0.000) 6.632 2.746 ( 6.430 1.621 0.000) 6.632 2.890 ( -3.474 -4.598 0.000) 5.763 2.890 ( 3.474 -4.598 0.000) 5.763 2.945 ( -0.679 -1.692 0.000) 1.823 2.945 ( 0.679 -1.692 0.000) 1.823 3.078 ( -0.337 0.121 0.000) 0.358 3.078 ( 0.337 0.121 0.000) 0.358 3.158 ( -1.824 3.004 0.000) 3.514 3.158 ( 1.824 3.004 0.000) 3.514 3.263 ( -0.407 -3.061 0.000) 3.088 3.263 ( 0.407 -3.061 0.000) 3.088 3.289 ( -5.567 -2.798 0.000) 6.230 3.289 ( 5.567 -2.798 0.000) 6.230 3.422 ( -4.018 0.941 0.000) 4.127 3.422 ( 4.018 0.941 0.000) 4.127 3.517 ( -3.035 5.855 0.000) 6.595 3.517 ( 3.035 5.855 0.000) 6.595 3.656 ( -1.154 -0.622 0.000) 1.311 3.656 ( 1.154 -0.622 0.000) 1.311 3.788 ( -6.136 -3.306 0.000) 6.970 3.788 ( 6.136 -3.306 0.000) 6.970 3.834 ( -3.433 3.191 0.000) 4.687 3.834 ( 3.433 3.191 0.000) 4.687 4.016 ( -4.952 -6.193 0.000) 7.930 4.016 ( 4.952 -6.193 0.000) 7.930 4.069 ( -4.820 4.408 0.000) 6.532 4.069 ( 4.820 4.408 0.000) 6.532 4.102 ( -1.113 0.601 0.000) 1.265 4.102 ( 1.113 0.601 0.000) 1.265 4.194 ( -5.273 -1.723 0.000) 5.547 4.194 ( 5.273 -1.723 0.000) 5.547 4.232 ( -1.158 1.817 0.000) 2.154 4.232 ( 1.158 1.817 0.000) 2.154 4.335 ( -6.242 -1.750 0.000) 6.483 4.335 ( 6.242 -1.750 0.000) 6.483 4.468 ( -0.083 -0.907 0.000) 0.910 4.468 ( 0.083 -0.907 0.000) 0.910 4.515 ( -2.301 -0.110 0.000) 2.303 4.515 ( 2.301 -0.110 0.000) 2.303 4.657 ( -0.871 -1.978 0.000) 2.161 4.657 ( 0.871 -1.978 0.000) 2.161 4.775 ( -2.868 -0.839 0.000) 2.988 4.775 ( 2.868 -0.839 0.000) 2.988 4.953 ( -3.367 1.878 0.000) 3.855 4.953 ( 3.367 1.878 0.000) 3.855 4.972 ( -3.719 -1.786 0.000) 4.126 4.972 ( 3.719 -1.786 0.000) 4.126 5.087 ( -1.412 1.810 0.000) 2.295 5.087 ( 1.412 1.810 0.000) 2.295 5.165 ( -1.641 -6.128 0.000) 6.344 5.165 ( 1.641 -6.128 0.000) 6.344 5.359 ( -3.272 -5.458 0.000) 6.363 5.359 ( 3.272 -5.458 0.000) 6.363 5.448 ( -0.719 3.198 0.000) 3.278 5.448 ( 0.719 3.198 0.000) 3.278 5.544 ( -0.416 -1.120 0.000) 1.195 5.544 ( 0.416 -1.120 0.000) 1.195 5.589 ( -0.710 -3.776 0.000) 3.842 5.589 ( 0.710 -3.776 0.000) 3.842 5.823 ( -3.102 -0.867 0.000) 3.221 5.823 ( 3.102 -0.867 0.000) 3.221 5.850 ( -5.513 -2.754 0.000) 6.162 5.850 ( 5.513 -2.754 0.000) 6.162 5.955 ( -0.157 3.453 0.000) 3.456 5.955 ( 0.157 3.453 0.000) 3.456 6.126 ( -0.920 2.503 0.000) 2.667 6.126 ( 0.920 2.503 0.000) 2.667 6.331 ( -1.171 0.487 0.000) 1.268 6.331 ( 1.171 0.487 0.000) 1.268 6.352 ( -4.050 -0.614 0.000) 4.097 6.352 ( 4.050 -0.614 0.000) 4.097 6.478 ( -0.859 3.712 0.000) 3.810 6.478 ( 0.859 3.712 0.000) 3.810 6.541 ( -1.403 2.262 0.000) 2.662 6.541 ( 1.403 2.262 0.000) 2.662 7.229 ( -11.378 1.688 0.000) 11.503 7.229 ( 11.378 1.688 0.000) 11.503 17.052 ( -2.422 -0.796 0.000) 2.549 17.052 ( 2.422 -0.796 0.000) 2.549 17.091 ( -9.075 -8.346 0.000) 12.330 17.091 ( 9.075 -8.346 0.000) 12.330 17.204 ( -4.229 -0.305 0.000) 4.240 17.204 ( 4.229 -0.305 0.000) 4.240 18.413 ( -13.896 9.463 0.000) 16.812 18.413 ( 13.896 9.463 0.000) 16.812 18.533 ( -0.234 0.009 0.000) 0.235 18.533 ( 0.234 0.009 0.000) 0.235 19.315 ( -0.014 -0.044 0.000) 0.047 19.315 ( 0.014 -0.044 0.000) 0.047 19.335 ( -0.552 -0.481 0.000) 0.732 19.335 ( 0.552 -0.481 0.000) 0.732 19.382 ( -0.061 -0.026 0.000) 0.067 19.382 ( 0.061 -0.026 0.000) 0.067 19.402 ( -0.373 0.750 0.000) 0.837 19.402 ( 0.373 0.750 0.000) 0.837 19.777 ( -0.581 -0.332 0.000) 0.669 19.777 ( 0.581 -0.332 0.000) 0.669 19.785 ( -0.390 0.171 0.000) 0.426 19.785 ( 0.390 0.171 0.000) 0.426 19.786 ( -0.437 0.136 0.000) 0.457 19.786 ( 0.437 0.136 0.000) 0.457 19.805 ( -0.233 -0.105 0.000) 0.256 19.805 ( 0.233 -0.105 0.000) 0.256 20.652 ( -7.570 -1.093 0.000) 7.649 20.652 ( 7.570 -1.093 0.000) 7.649 37.376 ( -0.111 -0.610 0.000) 0.620 37.376 ( 0.111 -0.610 0.000) 0.620 37.409 ( -0.169 0.188 0.000) 0.253 37.409 ( 0.169 0.188 0.000) 0.253 37.415 ( -0.005 0.664 0.000) 0.664 37.415 ( 0.005 0.664 0.000) 0.664 37.440 ( -0.072 -0.225 0.000) 0.236 37.440 ( 0.072 -0.225 0.000) 0.236 59.770 ( -1.857 5.038 0.000) 5.370 59.770 ( 1.857 5.038 0.000) 5.370 59.936 ( -7.875 5.553 0.000) 9.636 59.936 ( 7.875 5.553 0.000) 9.636 60.291 ( -8.114 -5.216 0.000) 9.646 60.291 ( 8.114 -5.216 0.000) 9.646 61.062 ( -21.754 -6.204 0.000) 22.621 61.062 ( 21.754 -6.204 0.000) 22.621======================= Grid point 16 (8/30) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.814 ( 11.062 11.062 0.000) 15.645 1.190 ( -4.534 -4.534 0.000) 6.412 1.504 ( 16.560 16.560 0.000) 23.419 1.716 ( -1.544 -1.544 0.000) 2.184 1.871 ( -7.144 -7.144 0.000) 10.103 1.964 ( 1.015 1.015 0.000) 1.435 2.031 ( 6.244 6.244 0.000) 8.830 2.097 ( -0.103 -0.103 0.000) 0.146 2.225 ( 4.879 4.879 0.000) 6.901 2.256 ( -2.790 -2.790 0.000) 3.945 2.276 ( 22.336 22.336 0.000) 31.587 2.316 ( 0.903 0.903 0.000) 1.278 2.318 ( 3.939 3.939 0.000) 5.571 2.359 ( 6.205 6.205 0.000) 8.775 2.451 ( -3.978 -3.978 0.000) 5.625 2.470 ( -0.944 -0.944 0.000) 1.335 2.558 ( -0.674 -0.674 0.000) 0.953 2.596 ( 1.911 1.911 0.000) 2.702 2.640 ( -0.827 -0.827 0.000) 1.170 2.647 ( -5.240 -5.240 0.000) 7.410 2.721 ( 2.882 2.882 0.000) 4.075 2.737 ( 3.988 3.988 0.000) 5.639 2.759 ( 1.028 1.028 0.000) 1.453 2.800 ( -4.878 -4.878 0.000) 6.898 2.848 ( 0.426 0.426 0.000) 0.603 2.926 ( -2.061 -2.061 0.000) 2.914 2.931 ( -4.359 -4.359 0.000) 6.165 2.991 ( -1.403 -1.403 0.000) 1.984 3.058 ( 0.267 0.267 0.000) 0.378 3.110 ( -4.068 -4.068 0.000) 5.753 3.160 ( 2.797 2.797 0.000) 3.956 3.164 ( 1.778 1.778 0.000) 2.514 3.221 ( -0.224 -0.224 0.000) 0.316 3.270 ( 5.665 5.665 0.000) 8.012 3.321 ( -5.107 -5.107 0.000) 7.222 3.354 ( -7.028 -7.028 0.000) 9.938 3.428 ( -4.781 -4.781 0.000) 6.761 3.525 ( -1.823 -1.823 0.000) 2.578 3.578 ( 5.191 5.191 0.000) 7.342 3.595 ( 1.193 1.193 0.000) 1.687 3.615 ( -2.454 -2.454 0.000) 3.471 3.644 ( -2.535 -2.535 0.000) 3.585 3.693 ( 1.265 1.265 0.000) 1.789 3.738 ( -5.221 -5.221 0.000) 7.383 3.827 ( 2.200 2.200 0.000) 3.112 3.832 ( -3.867 -3.867 0.000) 5.469 3.925 ( 6.692 6.692 0.000) 9.464 4.013 ( 1.678 1.678 0.000) 2.373 4.018 ( -2.164 -2.164 0.000) 3.061 4.062 ( 1.926 1.926 0.000) 2.724 4.101 ( 0.752 0.752 0.000) 1.063 4.160 ( 2.616 2.616 0.000) 3.699 4.181 ( -2.325 -2.325 0.000) 3.288 4.254 ( -1.126 -1.126 0.000) 1.592 4.255 ( 2.011 2.011 0.000) 2.843 4.262 ( 1.701 1.701 0.000) 2.406 4.265 ( -1.697 -1.697 0.000) 2.400 4.370 ( -3.998 -3.998 0.000) 5.654 4.448 ( 0.075 0.075 0.000) 0.106 4.462 ( -0.214 -0.214 0.000) 0.303 4.490 ( 1.714 1.714 0.000) 2.424 4.614 ( -1.969 -1.969 0.000) 2.785 4.651 ( -4.605 -4.605 0.000) 6.513 4.668 ( -0.346 -0.346 0.000) 0.489 4.728 ( -1.865 -1.865 0.000) 2.638 4.746 ( 0.069 0.069 0.000) 0.097 4.831 ( -3.405 -3.405 0.000) 4.815 4.931 ( 3.200 3.200 0.000) 4.526 4.998 ( -2.272 -2.272 0.000) 3.213 5.032 ( -0.828 -0.828 0.000) 1.171 5.067 ( 0.860 0.860 0.000) 1.217 5.094 ( 0.509 0.509 0.000) 0.720 5.139 ( -5.959 -5.959 0.000) 8.427 5.209 ( 0.183 0.183 0.000) 0.259 5.232 ( -1.447 -1.447 0.000) 2.047 5.340 ( -3.057 -3.057 0.000) 4.324 5.374 ( 0.348 0.348 0.000) 0.492 5.455 ( 0.429 0.429 0.000) 0.607 5.498 ( -2.883 -2.883 0.000) 4.077 5.564 ( 3.174 3.174 0.000) 4.489 5.568 ( -1.405 -1.405 0.000) 1.988 5.620 ( 2.149 2.149 0.000) 3.040 5.661 ( 0.583 0.583 0.000) 0.824 5.769 ( 1.146 1.146 0.000) 1.621 5.871 ( -4.615 -4.615 0.000) 6.526 5.871 ( -5.790 -5.790 0.000) 8.189 5.974 ( 0.090 0.090 0.000) 0.127 6.033 ( -3.368 -3.368 0.000) 4.762 6.155 ( 2.970 2.970 0.000) 4.200 6.179 ( 2.434 2.434 0.000) 3.443 6.291 ( 5.215 5.215 0.000) 7.375 6.331 ( 1.316 1.316 0.000) 1.860 6.332 ( 0.785 0.785 0.000) 1.111 6.405 ( -0.576 -0.576 0.000) 0.814 6.472 ( 2.665 2.665 0.000) 3.769 6.494 ( 5.678 5.678 0.000) 8.030 6.572 ( -1.753 -1.753 0.000) 2.480 6.636 ( 0.004 0.004 0.000) 0.005 7.114 ( 7.054 7.054 0.000) 9.976 7.376 ( -4.591 -4.591 0.000) 6.493 16.850 ( -0.168 -0.168 0.000) 0.238 17.021 ( 0.784 0.784 0.000) 1.108 17.069 ( -1.580 -1.580 0.000) 2.235 17.089 ( -10.147 -10.147 0.000) 14.350 17.190 ( 3.138 3.138 0.000) 4.437 17.245 ( -0.607 -0.607 0.000) 0.859 18.374 ( 12.242 12.242 0.000) 17.312 18.531 ( 0.025 0.025 0.000) 0.036 18.532 ( -0.068 -0.068 0.000) 0.096 18.673 ( -2.023 -2.023 0.000) 2.862 19.314 ( -0.083 -0.083 0.000) 0.117 19.316 ( -0.129 -0.129 0.000) 0.183 19.324 ( 0.016 0.016 0.000) 0.023 19.334 ( -0.554 -0.554 0.000) 0.783 19.382 ( 0.043 0.043 0.000) 0.061 19.382 ( 0.089 0.089 0.000) 0.126 19.406 ( 0.526 0.526 0.000) 0.744 19.421 ( 0.047 0.047 0.000) 0.067 19.766 ( 0.122 0.122 0.000) 0.173 19.780 ( -0.482 -0.482 0.000) 0.682 19.783 ( 0.322 0.322 0.000) 0.456 19.783 ( 0.287 0.287 0.000) 0.406 19.792 ( -0.120 -0.120 0.000) 0.170 19.794 ( -0.003 -0.003 0.000) 0.005 19.798 ( 0.015 0.015 0.000) 0.021 19.806 ( -0.180 -0.180 0.000) 0.254 20.564 ( 2.702 2.702 0.000) 3.821 20.717 ( -4.880 -4.880 0.000) 6.901 37.369 ( -0.354 -0.354 0.000) 0.500 37.371 ( -0.462 -0.462 0.000) 0.654 37.410 ( 0.248 0.248 0.000) 0.351 37.413 ( 0.122 0.122 0.000) 0.172 37.423 ( 0.245 0.245 0.000) 0.346 37.428 ( 0.234 0.234 0.000) 0.331 37.430 ( -0.028 -0.028 0.000) 0.039 37.436 ( -0.074 -0.074 0.000) 0.105 59.797 ( 3.546 3.546 0.000) 5.015 59.911 ( 7.855 7.855 0.000) 11.108 59.968 ( 3.553 3.553 0.000) 5.025 60.035 ( -0.748 -0.748 0.000) 1.058 60.161 ( 0.582 0.582 0.000) 0.824 60.308 ( -7.223 -7.223 0.000) 10.214 60.706 ( 6.053 6.053 0.000) 8.560 61.212 ( -15.357 -15.357 0.000) 21.718======================= Grid point 17 (9/30) =======================q-point: (-0.50 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( -11.484 4.229 0.000) 12.238 1.032 ( 11.484 4.229 0.000) 12.238 1.753 ( -5.062 -6.944 0.000) 8.594 1.753 ( 5.062 -6.944 0.000) 8.594 1.789 ( -14.050 15.551 0.000) 20.958 1.789 ( 14.050 15.551 0.000) 20.958 2.144 ( -4.413 3.118 0.000) 5.403 2.144 ( 4.413 3.118 0.000) 5.403 2.258 ( -5.414 -4.916 0.000) 7.313 2.258 ( 5.414 -4.916 0.000) 7.313 2.307 ( -1.186 -0.052 0.000) 1.187 2.307 ( 1.186 -0.052 0.000) 1.187 2.414 ( -0.648 5.251 0.000) 5.291 2.414 ( 0.648 5.251 0.000) 5.291 2.488 ( -2.303 -4.676 0.000) 5.212 2.488 ( 2.303 -4.676 0.000) 5.212 2.597 ( -3.810 4.210 0.000) 5.678 2.597 ( 3.810 4.210 0.000) 5.678 2.683 ( -3.776 -2.609 0.000) 4.589 2.683 ( 3.776 -2.609 0.000) 4.589 2.728 ( -6.871 2.935 0.000) 7.472 2.728 ( 6.871 2.935 0.000) 7.472 2.785 ( -2.105 4.267 0.000) 4.758 2.785 ( 2.105 4.267 0.000) 4.758 2.834 ( -4.453 -1.373 0.000) 4.659 2.834 ( 4.453 -1.373 0.000) 4.659 2.963 ( -8.807 3.984 0.000) 9.666 2.963 ( 8.807 3.984 0.000) 9.666 3.040 ( -2.252 -3.462 0.000) 4.130 3.040 ( 2.252 -3.462 0.000) 4.130 3.189 ( -0.920 1.343 0.000) 1.628 3.189 ( 0.920 1.343 0.000) 1.628 3.217 ( -0.698 -2.230 0.000) 2.336 3.217 ( 0.698 -2.230 0.000) 2.336 3.291 ( -6.048 2.455 0.000) 6.528 3.291 ( 6.048 2.455 0.000) 6.528 3.422 ( -6.943 -2.282 0.000) 7.308 3.422 ( 6.943 -2.282 0.000) 7.308 3.607 ( -0.176 3.062 0.000) 3.067 3.607 ( 0.176 3.062 0.000) 3.067 3.621 ( -0.645 -2.455 0.000) 2.539 3.621 ( 0.645 -2.455 0.000) 2.539 3.740 ( -5.205 -1.855 0.000) 5.525 3.740 ( 5.205 -1.855 0.000) 5.525 3.801 ( -5.192 -7.321 0.000) 8.975 3.801 ( 5.192 -7.321 0.000) 8.975 3.996 ( -0.114 4.973 0.000) 4.975 3.996 ( 0.114 4.973 0.000) 4.975 4.089 ( -5.627 1.610 0.000) 5.853 4.089 ( 5.627 1.610 0.000) 5.853 4.114 ( -3.251 -2.058 0.000) 3.847 4.114 ( 3.251 -2.058 0.000) 3.847 4.193 ( -1.057 1.593 0.000) 1.912 4.193 ( 1.057 1.593 0.000) 1.912 4.265 ( -1.660 -1.802 0.000) 2.450 4.265 ( 1.660 -1.802 0.000) 2.450 4.314 ( -2.577 2.432 0.000) 3.543 4.314 ( 2.577 2.432 0.000) 3.543 4.456 ( -0.516 -0.251 0.000) 0.574 4.456 ( 0.516 -0.251 0.000) 0.574 4.554 ( -5.657 4.378 0.000) 7.153 4.554 ( 5.657 4.378 0.000) 7.153 4.598 ( -0.966 -3.570 0.000) 3.698 4.598 ( 0.966 -3.570 0.000) 3.698 4.735 ( -0.637 -3.062 0.000) 3.128 4.735 ( 0.637 -3.062 0.000) 3.128 4.895 ( -7.371 -8.515 0.000) 11.263 4.895 ( 7.371 -8.515 0.000) 11.263 4.993 ( -3.132 1.742 0.000) 3.584 4.993 ( 3.132 1.742 0.000) 3.584 5.088 ( -0.961 1.505 0.000) 1.786 5.088 ( 0.961 1.505 0.000) 1.786 5.137 ( -4.610 1.575 0.000) 4.871 5.137 ( 4.610 1.575 0.000) 4.871 5.282 ( -3.939 -1.255 0.000) 4.134 5.282 ( 3.939 -1.255 0.000) 4.134 5.436 ( -3.253 -3.515 0.000) 4.789 5.436 ( 3.253 -3.515 0.000) 4.789 5.491 ( -3.120 -4.939 0.000) 5.842 5.491 ( 3.120 -4.939 0.000) 5.842 5.610 ( -1.435 4.604 0.000) 4.822 5.610 ( 1.435 4.604 0.000) 4.822 5.762 ( -6.105 -4.177 0.000) 7.397 5.762 ( 6.105 -4.177 0.000) 7.397 5.801 ( -2.442 -1.558 0.000) 2.897 5.801 ( 2.442 -1.558 0.000) 2.897 5.975 ( -1.322 -1.640 0.000) 2.106 5.975 ( 1.322 -1.640 0.000) 2.106 6.193 ( -0.841 3.530 0.000) 3.629 6.193 ( 0.841 3.530 0.000) 3.629 6.343 ( -0.096 0.330 0.000) 0.344 6.343 ( 0.096 0.330 0.000) 0.344 6.374 ( -3.153 3.009 0.000) 4.358 6.374 ( 3.153 3.009 0.000) 4.358 6.525 ( -2.863 1.134 0.000) 3.079 6.525 ( 2.863 1.134 0.000) 3.079 6.594 ( -4.186 2.970 0.000) 5.133 6.594 ( 4.186 2.970 0.000) 5.133 7.257 ( -7.771 1.126 0.000) 7.852 7.257 ( 7.771 1.126 0.000) 7.852 16.919 ( -7.186 -7.603 0.000) 10.461 16.919 ( 7.186 -7.603 0.000) 10.461 17.041 ( -1.370 -0.466 0.000) 1.447 17.041 ( 1.370 -0.466 0.000) 1.447 17.233 ( -1.402 1.867 0.000) 2.335 17.233 ( 1.402 1.867 0.000) 2.335 18.531 ( -0.148 0.171 0.000) 0.226 18.531 ( 0.148 0.171 0.000) 0.226 18.572 ( -8.488 6.183 0.000) 10.501 18.572 ( 8.488 6.183 0.000) 10.501 19.314 ( -0.048 -0.096 0.000) 0.107 19.314 ( 0.048 -0.096 0.000) 0.107 19.327 ( -0.294 -0.306 0.000) 0.424 19.327 ( 0.294 -0.306 0.000) 0.424 19.382 ( -0.030 0.005 0.000) 0.030 19.382 ( 0.030 0.005 0.000) 0.030 19.416 ( -0.482 0.580 0.000) 0.755 19.416 ( 0.482 0.580 0.000) 0.755 19.771 ( -0.406 -0.260 0.000) 0.482 19.771 ( 0.406 -0.260 0.000) 0.482 19.787 ( -0.043 0.047 0.000) 0.063 19.787 ( 0.043 0.047 0.000) 0.063 19.791 ( -0.170 0.307 0.000) 0.351 19.791 ( 0.170 0.307 0.000) 0.351 19.802 ( -0.274 -0.209 0.000) 0.345 19.802 ( 0.274 -0.209 0.000) 0.345 20.630 ( -4.352 -1.084 0.000) 4.485 20.630 ( 4.352 -1.084 0.000) 4.485 37.367 ( -0.055 -0.396 0.000) 0.400 37.367 ( 0.055 -0.396 0.000) 0.400 37.414 ( -0.107 0.249 0.000) 0.271 37.414 ( 0.107 0.249 0.000) 0.271 37.425 ( -0.099 0.417 0.000) 0.429 37.425 ( 0.099 0.417 0.000) 0.429 37.435 ( -0.123 -0.277 0.000) 0.303 37.435 ( 0.123 -0.277 0.000) 0.303 59.883 ( -5.546 6.901 0.000) 8.854 59.883 ( 5.546 6.901 0.000) 8.854 60.071 ( -8.241 7.779 0.000) 11.333 60.071 ( 8.241 7.779 0.000) 11.333 60.169 ( -8.320 -7.221 0.000) 11.017 60.169 ( 8.320 -7.221 0.000) 11.017 60.918 ( -15.363 -8.272 0.000) 17.449 60.918 ( 15.363 -8.272 0.000) 17.449======================= Grid point 27 (10/30) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 18Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 0.000 0.000 0.000) 0.000 1.081 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.421 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.510 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.653 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.828 ( -0.000 -0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.172 ( 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 3.326 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.351 ( -0.000 -0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.704 ( -0.000 -0.000 0.000) 0.000 3.704 ( -0.000 -0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 4.071 ( -0.000 -0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.087 ( -0.000 -0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.178 ( -0.000 -0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.554 ( 0.000 0.000 0.000) 0.000 4.659 ( -0.000 -0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 4.761 ( -0.000 -0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.122 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.720 ( -0.000 -0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 5.944 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 6.625 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 16.846 ( 0.000 0.000 0.000) 0.000 16.846 ( 0.000 0.000 0.000) 0.000 17.037 ( 0.000 0.000 0.000) 0.000 17.037 ( 0.000 0.000 0.000) 0.000 17.252 ( 0.000 0.000 0.000) 0.000 17.252 ( 0.000 0.000 0.000) 0.000 18.531 ( 0.000 0.000 0.000) 0.000 18.531 ( 0.000 0.000 0.000) 0.000 18.631 ( 0.000 0.000 0.000) 0.000 18.631 ( 0.000 0.000 0.000) 0.000 19.312 ( 0.000 0.000 0.000) 0.000 19.312 ( 0.000 0.000 0.000) 0.000 19.324 ( -0.000 -0.000 0.000) 0.000 19.324 ( 0.000 0.000 0.000) 0.000 19.382 ( 0.000 0.000 0.000) 0.000 19.382 ( 0.000 0.000 0.000) 0.000 19.421 ( 0.000 0.000 0.000) 0.000 19.421 ( 0.000 0.000 0.000) 0.000 19.769 ( 0.000 0.000 0.000) 0.000 19.769 ( 0.000 0.000 0.000) 0.000 19.787 ( 0.000 0.000 0.000) 0.000 19.787 ( 0.000 0.000 0.000) 0.000 19.795 ( 0.000 0.000 0.000) 0.000 19.795 ( 0.000 0.000 0.000) 0.000 19.798 ( 0.000 0.000 0.000) 0.000 19.798 ( 0.000 0.000 0.000) 0.000 20.619 ( 0.000 0.000 0.000) 0.000 20.619 ( 0.000 0.000 0.000) 0.000 37.363 ( 0.000 0.000 0.000) 0.000 37.363 ( 0.000 0.000 0.000) 0.000 37.417 ( 0.000 0.000 0.000) 0.000 37.417 ( 0.000 0.000 0.000) 0.000 37.428 ( 0.000 0.000 0.000) 0.000 37.428 ( 0.000 0.000 0.000) 0.000 37.432 ( 0.000 0.000 0.000) 0.000 37.432 ( 0.000 0.000 0.000) 0.000 60.017 ( -0.000 -0.000 0.000) 0.000 60.017 ( 0.000 0.000 0.000) 0.000 60.020 ( 0.000 0.000 0.000) 0.000 60.020 ( 0.000 0.000 0.000) 0.000 60.172 ( 0.000 0.000 0.000) 0.000 60.172 ( 0.000 0.000 0.000) 0.000 60.823 ( 0.000 0.000 0.000) 0.000 60.823 ( 0.000 0.000 0.000) 0.000======================= Grid point 49 (11/30) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( 0.000 0.000 20.875) 20.875 0.381 ( 0.000 0.000 20.875) 20.875 0.958 ( 0.000 0.000 51.103) 51.103 1.467 ( 0.000 -0.000 -18.701) 18.701 1.467 ( 0.000 0.000 -18.701) 18.701 1.770 ( 0.000 0.000 20.057) 20.057 2.024 ( 0.000 0.000 5.152) 5.152 2.024 ( 0.000 0.000 5.152) 5.152 2.180 ( 0.000 0.000 8.695) 8.695 2.180 ( 0.000 0.000 8.695) 8.695 2.212 ( 0.000 0.000 0.380) 0.380 2.238 ( -0.000 0.000 -0.072) 0.072 2.308 ( 0.000 0.000 15.441) 15.441 2.308 ( -0.000 0.000 15.441) 15.441 2.565 ( 0.000 -0.000 6.862) 6.862 2.565 ( 0.000 0.000 6.862) 6.862 2.576 ( 0.000 0.000 1.391) 1.391 2.645 ( 0.000 0.000 -6.372) 6.372 2.652 ( 0.000 0.000 0.706) 0.706 2.668 ( 0.000 0.000 2.868) 2.868 2.695 ( 0.000 0.000 0.948) 0.948 2.719 ( -0.000 0.000 10.517) 10.517 2.749 ( 0.000 0.000 -3.893) 3.893 2.749 ( 0.000 0.000 -3.893) 3.893 2.936 ( -0.000 -0.000 -7.776) 7.776 2.936 ( 0.000 0.000 -7.776) 7.776 2.972 ( -0.000 -0.000 -3.633) 3.633 2.990 ( 0.000 0.000 -0.371) 0.371 3.101 ( -0.000 0.000 -9.012) 9.012 3.166 ( 0.000 0.000 1.911) 1.911 3.166 ( 0.000 0.000 1.911) 1.911 3.284 ( 0.000 0.000 -5.554) 5.554 3.337 ( 0.000 0.000 5.177) 5.177 3.337 ( 0.000 0.000 5.177) 5.177 3.466 ( 0.000 0.000 -4.285) 4.285 3.497 ( 0.000 0.000 -6.433) 6.433 3.497 ( 0.000 0.000 -6.433) 6.433 3.534 ( -0.000 -0.000 -3.560) 3.560 3.551 ( 0.000 0.000 6.263) 6.263 3.613 ( -0.000 0.000 -6.767) 6.767 3.686 ( 0.000 0.000 -9.754) 9.754 3.686 ( 0.000 0.000 -9.754) 9.754 3.694 ( 0.000 0.000 -15.239) 15.239 3.751 ( 0.000 -0.000 8.127) 8.127 3.757 ( 0.000 0.000 -6.451) 6.451 3.760 ( -0.000 -0.000 -5.973) 5.973 3.760 ( 0.000 0.000 -5.973) 5.973 3.811 ( 0.000 0.000 -0.555) 0.555 3.865 ( 0.000 0.000 -0.548) 0.548 3.865 ( 0.000 0.000 -0.548) 0.548 4.102 ( 0.000 0.000 4.069) 4.069 4.269 ( 0.000 0.000 6.869) 6.869 4.329 ( 0.000 0.000 3.279) 3.279 4.329 ( 0.000 -0.000 3.279) 3.279 4.356 ( 0.000 0.000 6.156) 6.156 4.449 ( 0.000 0.000 6.970) 6.970 4.449 ( 0.000 -0.000 6.970) 6.970 4.456 ( 0.000 0.000 -4.112) 4.112 4.481 ( 0.000 0.000 -3.124) 3.124 4.573 ( -0.000 -0.000 9.124) 9.124 4.605 ( 0.000 0.000 -0.772) 0.772 4.683 ( 0.000 0.000 -2.137) 2.137 4.683 ( 0.000 0.000 -2.137) 2.137 4.710 ( 0.000 0.000 1.118) 1.118 4.753 ( 0.000 -0.000 -0.308) 0.308 4.774 ( 0.000 0.000 0.987) 0.987 4.774 ( 0.000 0.000 0.987) 0.987 4.826 ( 0.000 0.000 -2.340) 2.340 5.157 ( 0.000 0.000 -0.872) 0.872 5.157 ( -0.000 0.000 -0.872) 0.872 5.208 ( 0.000 0.000 -1.507) 1.507 5.208 ( -0.000 -0.000 -1.507) 1.507 5.271 ( 0.000 0.000 2.917) 2.917 5.312 ( -0.000 -0.000 1.240) 1.240 5.312 ( 0.000 0.000 1.240) 1.240 5.387 ( 0.000 -0.000 0.191) 0.191 5.439 ( -0.000 -0.000 -1.895) 1.895 5.439 ( 0.000 0.000 -1.895) 1.895 5.494 ( 0.000 0.000 -4.718) 4.718 5.625 ( 0.000 0.000 -7.856) 7.856 5.665 ( 0.000 0.000 -0.423) 0.423 5.665 ( -0.000 -0.000 -0.423) 0.423 5.674 ( 0.000 0.000 5.533) 5.533 5.747 ( 0.000 0.000 1.023) 1.023 5.747 ( 0.000 0.000 1.023) 1.023 5.902 ( 0.000 0.000 3.117) 3.117 6.017 ( 0.000 0.000 -1.583) 1.583 6.030 ( 0.000 0.000 1.598) 1.598 6.053 ( 0.000 0.000 2.632) 2.632 6.053 ( 0.000 0.000 2.632) 2.632 6.102 ( -0.000 -0.000 -0.742) 0.742 6.225 ( 0.000 0.000 -1.676) 1.676 6.225 ( -0.000 0.000 -1.676) 1.676 6.241 ( -0.000 -0.000 -11.755) 11.755 6.386 ( 0.000 0.000 -1.200) 1.200 6.447 ( 0.000 0.000 -0.400) 0.400 6.461 ( -0.000 0.000 1.338) 1.338 6.612 ( 0.000 0.000 -2.453) 2.453 6.869 ( 0.000 -0.000 9.956) 9.956 7.417 ( 0.000 0.000 -5.487) 5.487 16.862 ( -0.000 0.000 0.843) 0.843 16.862 ( 0.000 0.000 0.843) 0.843 16.966 ( 0.000 0.000 -2.379) 2.379 16.966 ( 0.000 0.000 -2.379) 2.379 17.219 ( -0.000 -0.000 5.601) 5.601 17.219 ( -0.000 0.000 5.601) 5.601 17.646 ( 0.000 0.000 -5.844) 5.844 17.646 ( -0.000 0.000 -5.844) 5.844 18.732 ( 0.000 0.000 20.396) 20.396 19.320 ( -0.000 0.000 0.010) 0.010 19.320 ( 0.000 0.000 0.010) 0.010 19.322 ( 0.000 0.000 -0.063) 0.063 19.322 ( 0.000 0.000 -0.063) 0.063 19.363 ( -0.000 0.000 -0.089) 0.089 19.373 ( -0.000 0.000 0.138) 0.138 19.393 ( -0.000 0.000 -0.003) 0.003 19.397 ( 0.000 0.000 -0.091) 0.091 19.752 ( 0.000 0.000 -0.899) 0.899 19.753 ( 0.000 0.000 2.352) 2.352 19.761 ( 0.000 0.000 0.104) 0.104 19.767 ( 0.000 0.000 -0.040) 0.040 19.798 ( 0.000 0.000 0.079) 0.079 19.798 ( 0.000 0.000 0.079) 0.079 19.803 ( 0.000 0.000 -0.048) 0.048 19.803 ( -0.000 -0.000 -0.048) 0.048 20.006 ( -0.000 0.000 9.879) 9.879 20.250 ( -0.000 -0.000 -15.828) 15.828 20.908 ( 0.000 0.000 -11.635) 11.635 37.401 ( -0.000 0.000 0.004) 0.004 37.408 ( 0.000 -0.000 -0.101) 0.101 37.408 ( 0.000 0.000 -0.004) 0.004 37.408 ( 0.000 0.000 -0.067) 0.067 37.412 ( 0.000 0.000 0.067) 0.067 37.412 ( 0.000 0.000 0.067) 0.067 37.417 ( 0.000 0.000 0.718) 0.718 37.434 ( 0.000 0.000 0.265) 0.265 59.681 ( 0.000 0.000 3.473) 3.473 59.779 ( 0.000 0.000 4.195) 4.195 59.779 ( -0.000 -0.000 4.195) 4.195 59.919 ( -0.000 -0.000 -2.565) 2.565 60.084 ( -0.000 -0.000 -3.541) 3.541 60.084 ( 0.000 0.000 -3.541) 3.541 61.961 ( 0.000 0.000 0.330) 0.330 62.011 ( 0.000 0.000 -0.947) 0.947======================= Grid point 50 (12/30) =======================q-point: ( 0.17 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.603 ( 19.441 0.000 13.058) 23.419 0.788 ( 19.645 0.000 22.111) 29.577 1.124 ( 25.497 0.000 32.202) 41.074 1.513 ( 3.466 0.000 -13.657) 14.090 1.603 ( 13.175 0.000 -15.369) 20.243 1.711 ( -4.267 0.000 14.667) 15.275 1.954 ( -7.195 0.000 0.999) 7.264 2.055 ( 2.324 0.000 6.172) 6.595 2.150 ( -1.006 0.000 7.894) 7.958 2.196 ( -2.848 0.000 3.898) 4.828 2.207 ( 2.249 0.000 7.780) 8.098 2.331 ( 4.258 0.000 14.239) 14.862 2.336 ( 3.294 0.000 15.332) 15.682 2.382 ( 10.517 0.000 1.530) 10.628 2.470 ( -7.631 0.000 2.966) 8.187 2.542 ( -0.124 0.000 5.333) 5.335 2.581 ( -2.177 0.000 -3.784) 4.365 2.637 ( -1.661 0.000 5.689) 5.927 2.639 ( -2.088 0.000 0.230) 2.101 2.664 ( -2.114 0.000 -1.669) 2.693 2.679 ( 0.728 0.000 4.681) 4.738 2.692 ( 2.596 0.000 0.857) 2.734 2.806 ( 1.115 0.000 -1.935) 2.233 2.816 ( 6.489 0.000 -5.347) 8.408 2.928 ( -3.049 0.000 -7.944) 8.509 2.959 ( 0.873 0.000 -5.817) 5.882 2.987 ( 1.495 0.000 -1.066) 1.836 3.024 ( 7.173 0.000 2.192) 7.500 3.052 ( -1.737 0.000 -6.083) 6.326 3.108 ( -5.259 0.000 1.072) 5.367 3.177 ( -5.049 0.000 1.964) 5.418 3.212 ( -4.506 0.000 3.767) 5.873 3.301 ( -4.451 0.000 1.390) 4.663 3.316 ( -1.928 0.000 0.918) 2.135 3.414 ( -2.956 0.000 -1.931) 3.531 3.457 ( -5.121 0.000 -6.673) 8.411 3.496 ( 1.583 0.000 -2.639) 3.077 3.550 ( 3.435 0.000 -11.325) 11.835 3.554 ( -1.942 0.000 -1.103) 2.234 3.571 ( -3.247 0.000 1.545) 3.595 3.625 ( -2.355 0.000 -4.139) 4.762 3.665 ( -2.491 0.000 -8.960) 9.299 3.681 ( -0.330 0.000 -10.476) 10.481 3.748 ( -0.165 0.000 -9.324) 9.326 3.767 ( -4.419 0.000 -4.131) 6.049 3.795 ( 0.237 0.000 -1.287) 1.308 3.839 ( 5.689 0.000 -7.001) 9.021 3.873 ( 0.977 0.000 -1.177) 1.530 3.901 ( 0.014 0.000 2.183) 2.183 3.912 ( 7.531 0.000 -0.807) 7.574 3.963 ( -1.953 0.000 1.485) 2.453 4.231 ( -3.056 0.000 3.006) 4.286 4.262 ( -6.204 0.000 2.689) 6.761 4.345 ( -2.921 0.000 7.072) 7.651 4.364 ( -0.614 0.000 2.406) 2.483 4.395 ( -4.025 0.000 0.082) 4.026 4.415 ( -2.540 0.000 3.347) 4.202 4.433 ( -1.346 0.000 -1.125) 1.754 4.460 ( -1.562 0.000 4.508) 4.771 4.588 ( 0.542 0.000 6.142) 6.166 4.615 ( -3.192 0.000 2.727) 4.198 4.650 ( -1.254 0.000 2.844) 3.108 4.657 ( 2.547 0.000 -0.838) 2.681 4.694 ( -0.960 0.000 0.294) 1.004 4.751 ( 1.117 0.000 3.637) 3.805 4.761 ( 0.698 0.000 -3.218) 3.293 4.816 ( 2.586 0.000 -0.206) 2.594 4.879 ( 3.190 0.000 -0.988) 3.339 5.139 ( -4.136 0.000 1.049) 4.267 5.140 ( -2.016 0.000 0.467) 2.070 5.168 ( -4.366 0.000 -0.483) 4.393 5.195 ( 0.212 0.000 -0.179) 0.278 5.253 ( -1.255 0.000 1.807) 2.199 5.276 ( -3.676 0.000 2.612) 4.510 5.344 ( -2.998 0.000 -0.514) 3.042 5.395 ( 7.958 0.000 0.054) 7.958 5.398 ( -3.527 0.000 -1.366) 3.783 5.464 ( -2.810 0.000 -2.917) 4.050 5.535 ( 7.587 0.000 -1.455) 7.726 5.592 ( -4.858 0.000 -1.393) 5.053 5.620 ( -3.997 0.000 3.764) 5.491 5.656 ( 2.852 0.000 -2.325) 3.679 5.692 ( -0.507 0.000 0.098) 0.516 5.713 ( 2.927 0.000 0.696) 3.009 5.785 ( 2.234 0.000 1.593) 2.744 5.804 ( -8.007 0.000 8.117) 11.401 5.959 ( 4.552 0.000 2.118) 5.021 6.046 ( 2.269 0.000 0.788) 2.402 6.081 ( -2.295 0.000 -0.523) 2.354 6.131 ( 7.767 0.000 -1.965) 8.012 6.152 ( 6.623 0.000 0.479) 6.640 6.175 ( -2.518 0.000 -0.600) 2.589 6.234 ( 1.296 0.000 -2.375) 2.706 6.323 ( 0.209 0.000 -4.675) 4.680 6.418 ( 2.066 0.000 -1.820) 2.754 6.457 ( 0.068 0.000 1.585) 1.587 6.557 ( -2.376 0.000 -5.905) 6.365 6.674 ( 11.476 0.000 -10.170) 15.334 6.825 ( -4.537 0.000 10.006) 10.986 7.402 ( -3.120 0.000 -9.787) 10.272 16.906 ( 4.711 0.000 0.751) 4.770 16.965 ( 1.862 0.000 -1.611) 2.462 17.014 ( 4.887 0.000 -0.902) 4.970 17.199 ( -2.065 0.000 4.958) 5.371 17.227 ( 0.649 0.000 5.864) 5.900 17.459 ( 36.410 0.000 -35.450) 50.818 17.586 ( -6.326 0.000 -5.311) 8.260 17.717 ( 7.200 0.000 -7.440) 10.354 18.742 ( 1.179 0.000 21.189) 21.222 19.296 ( -3.093 0.000 3.853) 4.941 19.319 ( -0.096 0.000 0.005) 0.097 19.320 ( -0.212 0.000 -0.048) 0.218 19.323 ( 0.176 0.000 -0.082) 0.195 19.367 ( 0.382 0.000 -0.081) 0.391 19.376 ( 0.194 0.000 0.219) 0.292 19.392 ( -0.128 0.000 -0.002) 0.128 19.396 ( -0.096 0.000 -0.104) 0.141 19.623 ( -16.703 0.000 20.238) 26.240 19.757 ( 0.514 0.000 -0.758) 0.916 19.764 ( 0.335 0.000 0.083) 0.345 19.769 ( 0.250 0.000 -0.041) 0.253 19.796 ( -0.196 0.000 0.068) 0.207 19.799 ( 0.006 0.000 0.068) 0.069 19.800 ( -0.177 0.000 0.031) 0.180 19.800 ( -0.264 0.000 -0.058) 0.270 19.844 ( -4.781 0.000 5.648) 7.400 20.279 ( 3.214 0.000 -16.001) 16.321 20.848 ( -6.273 0.000 -12.479) 13.967 37.394 ( -0.716 0.000 -0.107) 0.724 37.401 ( 0.025 0.000 -0.099) 0.102 37.405 ( -0.453 0.000 0.149) 0.477 37.406 ( -0.118 0.000 -0.189) 0.223 37.410 ( 0.010 0.000 0.080) 0.081 37.421 ( 0.073 0.000 1.017) 1.019 37.423 ( 0.651 0.000 -0.193) 0.679 37.438 ( 0.385 0.000 0.345) 0.517 59.696 ( 2.484 0.000 1.703) 3.012 59.770 ( -0.976 0.000 3.765) 3.890 59.821 ( -5.515 0.000 -1.231) 5.651 59.931 ( 11.934 0.000 0.324) 11.939 60.061 ( -1.978 0.000 -3.204) 3.765 60.287 ( 16.782 0.000 -4.377) 17.344 61.379 ( -40.640 0.000 34.295) 53.177 61.835 ( -13.197 0.000 -0.937) 13.230======================= Grid point 51 (13/30) =======================q-point: ( 0.33 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.995 ( 22.043 0.000 7.441) 23.265 1.009 ( 10.489 0.000 31.886) 33.567 1.444 ( -10.188 0.000 14.861) 18.018 1.726 ( 17.437 0.000 -7.014) 18.794 1.727 ( -14.303 0.000 1.129) 14.348 1.823 ( 29.060 0.000 2.960) 29.211 1.885 ( 11.918 0.000 -7.729) 14.204 2.075 ( -0.917 0.000 1.995) 2.195 2.117 ( -2.132 0.000 6.897) 7.219 2.192 ( 2.937 0.000 2.893) 4.123 2.245 ( 1.825 0.000 7.739) 7.951 2.326 ( -5.414 0.000 6.975) 8.830 2.382 ( 0.346 0.000 6.809) 6.818 2.441 ( 6.251 0.000 10.153) 11.924 2.518 ( 1.255 0.000 6.471) 6.592 2.552 ( 0.132 0.000 -6.959) 6.960 2.566 ( -5.739 0.000 -1.840) 6.027 2.592 ( 3.795 0.000 0.775) 3.874 2.619 ( -1.193 0.000 1.712) 2.087 2.621 ( -0.497 0.000 0.782) 0.927 2.693 ( 1.829 0.000 5.879) 6.157 2.750 ( 2.682 0.000 3.264) 4.225 2.846 ( -1.114 0.000 -0.509) 1.225 2.858 ( 1.895 0.000 -1.127) 2.205 2.884 ( -3.761 0.000 -3.306) 5.007 2.941 ( -3.814 0.000 -0.293) 3.825 2.981 ( -2.799 0.000 -0.415) 2.830 3.027 ( -0.767 0.000 2.310) 2.434 3.037 ( 2.523 0.000 -2.563) 3.597 3.117 ( -5.643 0.000 3.897) 6.858 3.156 ( 5.457 0.000 -2.507) 6.005 3.189 ( 7.596 0.000 1.383) 7.721 3.223 ( -2.629 0.000 3.507) 4.383 3.276 ( -3.324 0.000 -5.276) 6.236 3.367 ( -9.900 0.000 2.964) 10.334 3.398 ( -0.808 0.000 -2.237) 2.379 3.431 ( -11.830 0.000 -0.804) 11.858 3.471 ( -4.618 0.000 2.870) 5.437 3.507 ( -3.021 0.000 -1.541) 3.392 3.532 ( -0.593 0.000 2.236) 2.314 3.596 ( -2.236 0.000 -4.769) 5.267 3.614 ( 2.487 0.000 -12.361) 12.609 3.643 ( -2.654 0.000 -5.249) 5.882 3.656 ( -1.921 0.000 -14.947) 15.070 3.775 ( 3.219 0.000 -12.878) 13.274 3.792 ( -0.150 0.000 -3.318) 3.321 3.850 ( -1.064 0.000 -3.102) 3.279 3.929 ( 5.935 0.000 1.472) 6.115 3.992 ( 6.386 0.000 -5.455) 8.398 4.020 ( 0.732 0.000 -3.879) 3.948 4.077 ( 6.960 0.000 -4.563) 8.323 4.134 ( -5.312 0.000 -1.638) 5.559 4.147 ( -4.836 0.000 0.449) 4.857 4.267 ( -5.429 0.000 4.270) 6.907 4.277 ( -5.652 0.000 -1.622) 5.880 4.332 ( -5.911 0.000 1.761) 6.168 4.335 ( -1.699 0.000 5.065) 5.343 4.401 ( -3.564 0.000 1.650) 3.927 4.473 ( 3.525 0.000 3.879) 5.241 4.607 ( -1.455 0.000 4.237) 4.479 4.617 ( 2.919 0.000 0.273) 2.931 4.630 ( 1.964 0.000 9.338) 9.542 4.677 ( -0.963 0.000 -0.343) 1.022 4.695 ( -2.314 0.000 -0.212) 2.323 4.746 ( -0.062 0.000 4.037) 4.037 4.807 ( 4.639 0.000 -3.010) 5.530 4.860 ( 0.288 0.000 2.877) 2.891 4.922 ( 0.557 0.000 -1.713) 1.801 5.028 ( -2.527 0.000 3.807) 4.570 5.094 ( -2.476 0.000 2.040) 3.209 5.121 ( -2.013 0.000 2.933) 3.557 5.135 ( -5.937 0.000 3.055) 6.677 5.256 ( 1.932 0.000 -1.930) 2.731 5.272 ( 1.863 0.000 -0.021) 1.863 5.307 ( -0.790 0.000 0.128) 0.800 5.341 ( -2.245 0.000 -0.968) 2.445 5.427 ( -1.187 0.000 -1.112) 1.626 5.500 ( -4.740 0.000 -1.379) 4.936 5.507 ( 3.466 0.000 -1.781) 3.896 5.565 ( -1.997 0.000 0.142) 2.002 5.647 ( 4.468 0.000 0.350) 4.481 5.715 ( -0.084 0.000 2.476) 2.478 5.717 ( 3.557 0.000 0.048) 3.558 5.777 ( 5.261 0.000 3.091) 6.102 5.780 ( 3.311 0.000 0.855) 3.420 5.815 ( 1.781 0.000 -0.664) 1.900 5.989 ( -2.872 0.000 -0.009) 2.872 6.012 ( -5.203 0.000 0.141) 5.204 6.090 ( 1.861 0.000 0.385) 1.901 6.116 ( -0.464 0.000 0.151) 0.488 6.242 ( 3.246 0.000 -3.591) 4.841 6.271 ( 3.081 0.000 -3.287) 4.505 6.308 ( 6.754 0.000 -1.179) 6.856 6.328 ( 0.826 0.000 -0.962) 1.268 6.427 ( -0.600 0.000 -1.383) 1.508 6.464 ( -6.040 0.000 -2.553) 6.558 6.493 ( 3.903 0.000 2.630) 4.707 6.720 ( -6.451 0.000 9.330) 11.343 6.890 ( 11.846 0.000 -10.279) 15.684 7.292 ( -8.409 0.000 -10.563) 13.502 17.011 ( 3.093 0.000 -0.280) 3.106 17.028 ( 8.266 0.000 0.432) 8.277 17.123 ( 6.235 0.000 1.879) 6.512 17.145 ( -3.531 0.000 3.501) 4.972 17.231 ( -0.655 0.000 6.156) 6.191 17.429 ( -10.063 0.000 -3.905) 10.794 17.876 ( 9.330 0.000 -13.724) 16.595 17.903 ( 12.568 0.000 -30.277) 32.782 18.785 ( 3.948 0.000 24.051) 24.373 19.143 ( -13.584 0.000 25.904) 29.250 19.316 ( -0.135 0.000 -0.027) 0.137 19.317 ( -0.115 0.000 -0.006) 0.115 19.329 ( 0.447 0.000 -0.034) 0.448 19.370 ( -1.597 0.000 2.057) 2.604 19.375 ( 0.455 0.000 -0.055) 0.458 19.389 ( -0.257 0.000 -0.005) 0.257 19.393 ( -0.276 0.000 -0.024) 0.277 19.408 ( -3.037 0.000 4.020) 5.038 19.769 ( 0.732 0.000 -0.455) 0.862 19.772 ( 0.517 0.000 0.028) 0.518 19.775 ( 0.405 0.000 -0.030) 0.406 19.791 ( -0.355 0.000 0.032) 0.357 19.792 ( -0.479 0.000 0.005) 0.479 19.793 ( -0.486 0.000 -0.093) 0.495 19.803 ( 0.238 0.000 0.169) 0.292 19.814 ( -0.491 0.000 0.720) 0.871 20.369 ( 6.574 0.000 -16.200) 17.483 20.696 ( -9.600 0.000 -14.281) 17.208 37.384 ( -0.268 0.000 -0.072) 0.278 37.394 ( -0.637 0.000 0.194) 0.666 37.401 ( 0.058 0.000 -0.281) 0.287 37.404 ( -0.072 0.000 -0.463) 0.469 37.412 ( 0.148 0.000 0.484) 0.506 37.419 ( -0.187 0.000 1.112) 1.127 37.434 ( 0.599 0.000 -0.172) 0.623 37.444 ( 0.176 0.000 0.300) 0.348 59.745 ( -1.427 0.000 1.419) 2.012 59.755 ( -1.795 0.000 1.955) 2.654 59.768 ( 5.020 0.000 -0.106) 5.021 59.972 ( -4.751 0.000 -2.538) 5.386 60.195 ( 13.792 0.000 3.734) 14.289 60.649 ( 21.981 0.000 -5.033) 22.550 60.817 ( -22.608 0.000 25.298) 33.928 61.506 ( -21.558 0.000 -3.326) 21.813======================= Grid point 52 (14/30) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.224 ( -12.494 0.000 24.419) 27.430 1.224 ( 12.494 0.000 24.419) 27.430 1.392 ( -20.529 0.000 4.255) 20.965 1.392 ( 20.529 0.000 4.255) 20.965 1.940 ( -9.920 0.000 -9.123) 13.477 1.940 ( 9.920 0.000 -9.123) 13.477 2.050 ( -5.618 0.000 1.852) 5.915 2.050 ( 5.618 0.000 1.852) 5.915 2.264 ( -1.623 0.000 7.337) 7.515 2.264 ( 1.623 0.000 7.337) 7.515 2.309 ( -7.601 0.000 -1.733) 7.796 2.309 ( 7.601 0.000 -1.733) 7.796 2.393 ( -14.896 0.000 -1.508) 14.972 2.393 ( 14.896 0.000 -1.508) 14.972 2.536 ( -1.327 0.000 4.155) 4.362 2.536 ( 1.327 0.000 4.155) 4.362 2.607 ( -0.713 0.000 -0.807) 1.077 2.607 ( 0.713 0.000 -0.807) 1.077 2.618 ( -10.702 0.000 7.527) 13.083 2.618 ( 10.702 0.000 7.527) 13.083 2.747 ( -3.919 0.000 7.897) 8.816 2.747 ( 3.919 0.000 7.897) 8.816 2.764 ( -5.325 0.000 4.242) 6.809 2.764 ( 5.325 0.000 4.242) 6.809 2.897 ( -2.554 0.000 -1.421) 2.923 2.897 ( 2.554 0.000 -1.421) 2.923 2.974 ( -8.040 0.000 -0.182) 8.042 2.974 ( 8.040 0.000 -0.182) 8.042 3.091 ( -3.685 0.000 -1.919) 4.155 3.091 ( 3.685 0.000 -1.919) 4.155 3.129 ( -6.938 0.000 4.175) 8.098 3.129 ( 6.938 0.000 4.175) 8.098 3.256 ( -4.152 0.000 -3.819) 5.641 3.256 ( 4.152 0.000 -3.819) 5.641 3.338 ( -6.934 0.000 1.241) 7.044 3.338 ( 6.934 0.000 1.241) 7.044 3.445 ( -2.960 0.000 1.730) 3.429 3.445 ( 2.960 0.000 1.730) 3.429 3.468 ( -5.949 0.000 0.233) 5.954 3.468 ( 5.949 0.000 0.233) 5.954 3.597 ( -2.239 0.000 -5.162) 5.627 3.597 ( 2.239 0.000 -5.162) 5.627 3.639 ( -0.432 0.000 -14.472) 14.478 3.639 ( 0.432 0.000 -14.472) 14.478 3.813 ( -2.239 0.000 -3.391) 4.063 3.813 ( 2.239 0.000 -3.391) 4.063 3.879 ( -8.773 0.000 -13.246) 15.888 3.879 ( 8.773 0.000 -13.246) 15.888 4.079 ( -8.091 0.000 0.972) 8.149 4.079 ( 8.091 0.000 0.972) 8.149 4.079 ( -3.202 0.000 -2.740) 4.214 4.079 ( 3.202 0.000 -2.740) 4.214 4.180 ( -4.280 0.000 -0.937) 4.382 4.180 ( 4.280 0.000 -0.937) 4.382 4.232 ( -3.954 0.000 1.374) 4.186 4.232 ( 3.954 0.000 1.374) 4.186 4.341 ( -2.495 0.000 3.410) 4.225 4.341 ( 2.495 0.000 3.410) 4.225 4.551 ( -4.729 0.000 5.360) 7.148 4.551 ( 4.729 0.000 5.360) 7.148 4.650 ( -0.700 0.000 5.642) 5.686 4.650 ( 0.700 0.000 5.642) 5.686 4.661 ( -0.332 0.000 -1.329) 1.370 4.661 ( 0.332 0.000 -1.329) 1.370 4.798 ( -5.394 0.000 2.901) 6.124 4.798 ( 5.394 0.000 2.901) 6.124 4.887 ( -3.409 0.000 -2.476) 4.213 4.887 ( 3.409 0.000 -2.476) 4.213 5.067 ( -3.878 0.000 4.047) 5.606 5.067 ( 3.878 0.000 4.047) 5.606 5.074 ( -0.951 0.000 2.809) 2.966 5.074 ( 0.951 0.000 2.809) 2.966 5.291 ( -1.386 0.000 -0.802) 1.601 5.291 ( 1.386 0.000 -0.802) 1.601 5.308 ( -1.834 0.000 -0.684) 1.958 5.308 ( 1.834 0.000 -0.684) 1.958 5.432 ( -2.158 0.000 -1.185) 2.461 5.432 ( 2.158 0.000 -1.185) 2.461 5.540 ( -0.964 0.000 -1.355) 1.663 5.540 ( 0.964 0.000 -1.355) 1.663 5.704 ( -1.503 0.000 1.744) 2.302 5.704 ( 1.503 0.000 1.744) 2.302 5.776 ( -2.436 0.000 1.106) 2.675 5.776 ( 2.436 0.000 1.106) 2.675 5.897 ( -5.678 0.000 -1.126) 5.789 5.897 ( 5.678 0.000 -1.126) 5.789 5.898 ( -6.831 0.000 0.792) 6.877 5.898 ( 6.831 0.000 0.792) 6.877 6.113 ( -0.722 0.000 0.280) 0.775 6.113 ( 0.722 0.000 0.280) 0.775 6.285 ( -1.915 0.000 -4.541) 4.929 6.285 ( 1.915 0.000 -4.541) 4.929 6.371 ( -3.805 0.000 -0.004) 3.805 6.371 ( 3.805 0.000 -0.004) 3.805 6.394 ( -3.050 0.000 -1.898) 3.593 6.394 ( 3.050 0.000 -1.898) 3.593 6.597 ( -6.664 0.000 6.644) 9.410 6.597 ( 6.664 0.000 6.644) 9.410 7.107 ( -11.361 0.000 -10.125) 15.218 7.107 ( 11.361 0.000 -10.125) 15.218 17.076 ( -3.818 0.000 1.553) 4.122 17.076 ( 3.818 0.000 1.553) 4.122 17.178 ( -5.671 0.000 3.759) 6.804 17.178 ( 5.671 0.000 3.759) 6.804 17.247 ( -8.140 0.000 -0.485) 8.155 17.247 ( 8.140 0.000 -0.485) 8.155 17.992 ( -1.927 0.000 -21.152) 21.240 17.992 ( 1.927 0.000 -21.152) 21.240 18.910 ( -10.045 0.000 28.216) 29.951 18.910 ( 10.045 0.000 28.216) 29.951 19.315 ( -0.019 0.000 -0.015) 0.024 19.315 ( 0.019 0.000 -0.015) 0.024 19.342 ( -1.003 0.000 0.400) 1.080 19.342 ( 1.003 0.000 0.400) 1.080 19.383 ( -0.378 0.000 -0.023) 0.379 19.383 ( 0.378 0.000 -0.023) 0.379 19.393 ( -0.248 0.000 0.092) 0.265 19.393 ( 0.248 0.000 0.092) 0.265 19.782 ( -0.407 0.000 -0.141) 0.431 19.782 ( 0.407 0.000 -0.141) 0.431 19.782 ( -0.543 0.000 0.008) 0.543 19.782 ( 0.543 0.000 0.008) 0.543 19.784 ( -0.216 0.000 -0.071) 0.227 19.784 ( 0.216 0.000 -0.071) 0.227 19.808 ( -0.265 0.000 0.262) 0.373 19.808 ( 0.265 0.000 0.262) 0.373 20.517 ( -9.269 0.000 -15.733) 18.260 20.517 ( 9.269 0.000 -15.733) 18.260 37.385 ( -0.303 0.000 0.077) 0.313 37.385 ( 0.303 0.000 0.077) 0.313 37.403 ( -0.075 0.000 -0.438) 0.444 37.403 ( 0.075 0.000 -0.438) 0.444 37.415 ( -0.231 0.000 0.865) 0.896 37.415 ( 0.231 0.000 0.865) 0.896 37.443 ( -0.295 0.000 0.061) 0.301 37.443 ( 0.295 0.000 0.061) 0.301 59.736 ( -0.391 0.000 1.837) 1.878 59.736 ( 0.391 0.000 1.837) 1.878 59.870 ( -5.852 0.000 -1.530) 6.048 59.870 ( 5.852 0.000 -1.530) 6.048 60.470 ( -16.257 0.000 12.610) 20.574 60.470 ( 16.257 0.000 12.610) 20.574 61.078 ( -24.025 0.000 -4.836) 24.507 61.078 ( 24.025 0.000 -4.836) 24.507======================= Grid point 57 (15/30) =======================q-point: ( 0.17 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.850 ( 17.713 17.713 8.280) 26.382 0.867 ( 7.524 7.524 29.589) 31.444 1.325 ( 22.907 22.907 18.002) 37.061 1.581 ( 6.220 6.220 -13.559) 16.162 1.592 ( -2.885 -2.885 10.019) 10.818 1.782 ( 9.472 9.472 -7.413) 15.310 1.980 ( -2.094 -2.094 4.292) 5.215 1.988 ( -1.362 -1.362 2.761) 3.366 2.162 ( -2.393 -2.393 5.351) 6.331 2.195 ( 2.441 2.441 9.583) 10.186 2.224 ( -0.933 -0.933 4.652) 4.835 2.317 ( 1.063 1.063 14.909) 14.985 2.397 ( 3.219 3.219 9.817) 10.821 2.414 ( 4.938 4.938 2.960) 7.585 2.426 ( -4.250 -4.250 4.511) 7.515 2.537 ( -1.112 -1.112 5.209) 5.441 2.571 ( 0.231 0.231 -5.615) 5.624 2.610 ( -3.296 -3.296 -3.360) 5.746 2.628 ( -1.233 -1.233 0.461) 1.804 2.669 ( 1.437 1.437 5.301) 5.677 2.698 ( 0.279 0.279 3.634) 3.656 2.698 ( 0.546 0.546 -1.713) 1.879 2.750 ( 1.334 1.334 0.491) 1.949 2.896 ( 1.268 1.268 -4.612) 4.948 2.907 ( -2.141 -2.141 -7.985) 8.540 2.968 ( 0.127 0.127 -2.691) 2.697 3.002 ( -0.542 -0.542 -3.342) 3.429 3.028 ( -1.805 -1.805 2.273) 3.418 3.033 ( 1.879 1.879 1.509) 3.055 3.097 ( 4.761 4.761 -0.307) 6.740 3.173 ( -4.272 -4.272 5.005) 7.846 3.184 ( -2.202 -2.202 2.774) 4.170 3.266 ( -2.312 -2.312 1.512) 3.603 3.327 ( -1.657 -1.657 -4.991) 5.513 3.337 ( -2.879 -2.879 4.502) 6.070 3.426 ( -2.722 -2.722 -5.696) 6.875 3.526 ( -1.845 -1.845 -2.112) 3.357 3.533 ( 0.846 0.846 -10.340) 10.409 3.570 ( 1.371 1.371 -10.333) 10.513 3.574 ( -2.412 -2.412 -5.008) 6.059 3.611 ( 1.486 1.486 4.463) 4.933 3.645 ( 0.059 0.059 -12.131) 12.131 3.685 ( -1.126 -1.126 -2.537) 2.995 3.762 ( -2.036 -2.036 -0.522) 2.927 3.781 ( -2.319 -2.319 -0.554) 3.326 3.801 ( 0.046 0.046 -7.039) 7.039 3.822 ( 2.613 2.613 -12.804) 13.327 3.900 ( -3.355 -3.355 2.921) 5.572 3.922 ( 2.390 2.390 0.266) 3.390 3.940 ( 4.959 4.959 -2.511) 7.449 3.972 ( 2.757 2.757 -5.933) 7.099 4.108 ( -4.786 -4.786 5.358) 8.632 4.275 ( -4.072 -4.072 -0.961) 5.839 4.301 ( -2.675 -2.675 5.699) 6.840 4.335 ( -1.151 -1.151 3.331) 3.707 4.371 ( -3.607 -3.607 0.123) 5.103 4.382 ( -3.798 -3.798 -0.273) 5.379 4.423 ( -2.389 -2.389 4.294) 5.464 4.451 ( 0.583 0.583 1.461) 1.677 4.595 ( 0.430 0.430 9.482) 9.501 4.623 ( -0.213 -0.213 2.269) 2.289 4.672 ( 0.130 0.130 -0.048) 0.189 4.674 ( -1.501 -1.501 1.120) 2.401 4.683 ( 2.516 2.516 0.144) 3.561 4.714 ( 0.598 0.598 1.813) 2.001 4.781 ( 2.179 2.179 1.778) 3.557 4.839 ( 0.946 0.946 -1.635) 2.112 4.896 ( 1.193 1.193 -1.296) 2.127 5.058 ( -3.140 -3.140 0.624) 4.484 5.088 ( -4.733 -4.733 -0.404) 6.706 5.184 ( -2.826 -2.826 3.663) 5.421 5.186 ( -3.443 -3.443 2.167) 5.330 5.267 ( 2.073 2.073 -2.308) 3.731 5.313 ( -0.777 -0.777 0.076) 1.102 5.333 ( 1.542 1.542 -1.213) 2.495 5.358 ( -0.322 -0.322 0.709) 0.843 5.423 ( -6.525 -6.525 3.479) 9.862 5.450 ( 0.469 0.469 -1.733) 1.856 5.506 ( -3.752 -3.752 2.978) 6.085 5.522 ( 3.030 3.030 -0.923) 4.383 5.567 ( -4.604 -4.604 0.141) 6.512 5.600 ( 1.510 1.510 -1.431) 2.571 5.651 ( -0.419 -0.419 2.292) 2.367 5.724 ( 1.047 1.047 0.972) 1.772 5.864 ( 5.597 5.597 0.455) 7.928 5.954 ( 2.072 2.072 0.579) 2.986 6.039 ( 4.408 4.408 0.855) 6.292 6.048 ( -2.298 -2.298 0.272) 3.261 6.080 ( 1.719 1.719 0.186) 2.438 6.099 ( 3.163 3.163 0.806) 4.545 6.137 ( -1.184 -1.184 -1.258) 2.094 6.208 ( 4.105 4.105 -0.460) 5.824 6.246 ( 0.484 0.484 -4.183) 4.238 6.325 ( 0.880 0.880 -2.680) 2.955 6.422 ( 0.373 0.373 -1.293) 1.397 6.453 ( 0.194 0.194 2.203) 2.220 6.595 ( -0.519 -0.519 -2.092) 2.216 6.726 ( 7.473 7.473 -13.147) 16.868 6.792 ( -3.290 -3.290 9.836) 10.881 7.389 ( -2.453 -2.453 -11.338) 11.857 16.864 ( -0.060 -0.060 0.974) 0.977 16.959 ( 0.446 0.446 -2.485) 2.563 17.073 ( 5.180 5.180 1.925) 7.574 17.165 ( -2.624 -2.624 3.424) 5.050 17.252 ( 1.547 1.547 7.199) 7.524 17.483 ( -8.240 -8.240 -5.102) 12.721 17.769 ( 21.778 21.778 -35.708) 47.155 17.831 ( 9.419 9.419 -8.273) 15.680 18.747 ( 0.638 0.638 21.681) 21.700 19.263 ( -4.523 -4.523 10.507) 12.301 19.317 ( -0.095 -0.095 -0.004) 0.135 19.319 ( -0.119 -0.119 -0.074) 0.184 19.323 ( 0.039 0.039 -0.024) 0.060 19.371 ( 0.368 0.368 -0.082) 0.527 19.376 ( -0.034 -0.034 0.560) 0.562 19.387 ( -0.597 -0.597 0.700) 1.097 19.396 ( -0.028 -0.028 -0.133) 0.139 19.509 ( -9.258 -9.258 17.796) 22.093 19.758 ( 0.185 0.185 -0.558) 0.616 19.768 ( 0.418 0.418 -0.015) 0.592 19.772 ( 0.263 0.263 -0.006) 0.372 19.795 ( -0.304 -0.304 -0.073) 0.436 19.797 ( -0.112 -0.112 0.056) 0.168 19.798 ( -0.079 -0.079 0.059) 0.126 19.799 ( -0.065 -0.065 0.121) 0.152 19.823 ( -1.036 -1.036 2.068) 2.535 20.303 ( 2.623 2.623 -16.160) 16.580 20.794 ( -5.584 -5.584 -13.214) 15.393 37.388 ( -0.539 -0.539 0.078) 0.766 37.393 ( -0.587 -0.587 0.017) 0.831 37.401 ( 0.046 0.046 -0.169) 0.181 37.406 ( -0.021 -0.021 -0.325) 0.326 37.419 ( 0.331 0.331 0.140) 0.489 37.425 ( 0.244 0.244 0.481) 0.592 37.425 ( 0.292 0.292 0.420) 0.590 37.438 ( 0.115 0.115 0.365) 0.400 59.706 ( 2.656 2.656 1.237) 3.954 59.779 ( -2.415 -2.415 -0.836) 3.517 59.892 ( 4.604 4.604 6.657) 9.312 59.924 ( 4.200 4.200 -2.871) 6.597 60.106 ( 1.062 1.062 -2.899) 3.265 60.349 ( 9.096 9.096 -4.838) 13.743 61.100 ( -22.579 -22.579 33.463) 46.254 61.719 ( -12.241 -12.241 -1.945) 17.420======================= Grid point 58 (16/30) =======================q-point: ( 0.33 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.017 ( 9.664 2.634 29.080) 30.757 1.172 ( 16.307 14.326 6.570) 22.679 1.460 ( -8.468 1.727 16.450) 18.582 1.694 ( 9.222 0.244 -7.660) 11.991 1.835 ( -8.378 8.148 1.223) 11.751 1.930 ( 20.789 9.011 0.605) 22.666 1.956 ( 9.670 2.694 1.581) 10.162 2.026 ( 6.713 3.988 -2.327) 8.147 2.140 ( 2.189 -4.155 3.692) 5.974 2.180 ( -1.807 1.771 4.841) 5.462 2.243 ( 1.950 1.164 6.633) 7.011 2.317 ( -3.839 -1.215 3.320) 5.219 2.376 ( 1.923 1.675 10.452) 10.759 2.444 ( 1.816 -2.786 -0.091) 3.327 2.477 ( -0.401 -6.386 2.995) 7.065 2.532 ( -4.113 0.096 -1.180) 4.279 2.572 ( -1.694 0.838 -2.761) 3.346 2.580 ( 5.451 -1.711 -0.010) 5.713 2.614 ( -0.501 2.986 2.199) 3.742 2.671 ( 0.634 0.462 0.621) 1.000 2.715 ( 1.349 2.246 4.472) 5.183 2.732 ( 2.402 -1.683 4.160) 5.090 2.797 ( 2.138 -1.915 1.573) 3.273 2.820 ( -2.252 1.343 1.688) 3.119 2.912 ( -2.698 -1.748 -2.967) 4.375 2.956 ( -3.018 -0.659 2.143) 3.760 2.975 ( -0.825 -0.050 -2.266) 2.412 3.017 ( 1.082 0.992 0.888) 1.716 3.064 ( -3.990 -1.027 3.048) 5.125 3.111 ( 1.432 -0.262 3.092) 3.418 3.132 ( -0.877 0.349 -1.579) 1.840 3.187 ( 2.834 -0.472 -0.117) 2.875 3.240 ( 0.148 -0.657 2.595) 2.681 3.302 ( -0.897 -5.398 3.109) 6.294 3.338 ( 1.011 4.819 -4.117) 6.419 3.390 ( -0.001 -0.573 -2.958) 3.013 3.428 ( -12.021 1.684 4.168) 12.834 3.474 ( -12.091 3.001 -0.852) 12.487 3.534 ( -1.818 2.004 -2.797) 3.892 3.561 ( 1.120 -1.269 -9.447) 9.598 3.597 ( -2.488 0.064 -3.094) 3.970 3.623 ( 1.158 -0.643 -8.888) 8.987 3.643 ( -1.333 4.689 -1.657) 5.149 3.707 ( 0.578 -0.022 -7.621) 7.643 3.755 ( 3.690 -1.135 -4.121) 5.647 3.783 ( -3.923 4.418 -8.686) 10.505 3.861 ( -0.541 -0.496 -7.330) 7.366 3.930 ( 5.615 -4.556 -5.520) 9.097 3.978 ( 5.071 1.149 0.057) 5.200 3.996 ( 1.205 -4.873 -3.488) 6.113 4.075 ( 6.544 -2.284 -4.355) 8.185 4.116 ( 1.983 1.425 1.192) 2.717 4.149 ( -7.770 1.691 -4.228) 9.006 4.229 ( -4.161 -2.361 2.622) 5.455 4.273 ( -5.593 -1.305 -0.718) 5.788 4.303 ( -4.881 -2.646 1.769) 5.827 4.322 ( -1.494 -2.451 2.276) 3.663 4.363 ( -3.735 -2.392 3.228) 5.485 4.476 ( 2.702 0.486 2.532) 3.735 4.591 ( -0.151 -0.236 6.007) 6.014 4.622 ( -1.044 -2.089 3.314) 4.054 4.657 ( 0.463 1.098 1.897) 2.240 4.669 ( -2.104 0.328 1.878) 2.839 4.706 ( -1.428 0.817 2.147) 2.705 4.729 ( 2.448 0.834 2.828) 3.832 4.829 ( 0.942 -2.876 2.866) 4.168 4.858 ( 2.214 3.590 -1.363) 4.433 4.923 ( 0.913 -0.737 -2.457) 2.723 4.983 ( -2.019 -2.230 2.558) 3.949 5.060 ( 0.901 -3.870 0.836) 4.061 5.111 ( -4.524 -0.553 4.380) 6.321 5.130 ( -1.797 -0.765 1.833) 2.678 5.207 ( -4.925 -0.861 -0.390) 5.015 5.256 ( -3.633 -1.860 1.166) 4.245 5.349 ( -0.792 -6.177 2.561) 6.734 5.393 ( 2.234 0.094 -1.376) 2.625 5.402 ( -1.801 -1.127 -2.330) 3.153 5.430 ( 3.026 0.302 0.465) 3.076 5.483 ( 0.341 1.922 -1.190) 2.286 5.527 ( -0.223 -2.536 -1.567) 2.989 5.562 ( 2.076 -6.854 0.260) 7.166 5.630 ( -0.671 0.005 1.394) 1.547 5.722 ( 7.545 -3.358 1.028) 8.323 5.753 ( 2.350 0.451 -0.219) 2.403 5.900 ( -1.770 4.529 1.192) 5.006 5.952 ( -2.828 4.187 0.196) 5.057 5.973 ( -2.992 -1.998 0.329) 3.613 6.024 ( -3.659 3.106 1.474) 5.021 6.101 ( 0.336 0.513 -0.805) 1.012 6.119 ( 1.658 2.667 0.051) 3.140 6.237 ( 3.780 -0.112 -2.593) 4.585 6.270 ( 2.933 0.089 -4.591) 5.449 6.290 ( 4.089 0.258 -0.303) 4.109 6.374 ( 4.050 4.104 -1.182) 5.886 6.412 ( -1.632 -0.247 -0.756) 1.815 6.488 ( 3.565 1.344 3.677) 5.295 6.548 ( -2.820 4.279 -1.720) 5.406 6.712 ( -5.185 -0.813 8.492) 9.983 6.910 ( 11.298 2.545 -10.933) 15.927 7.294 ( -7.659 -0.509 -11.413) 13.754 16.931 ( 6.626 -7.077 0.278) 9.699 16.985 ( 2.276 -1.458 -2.159) 3.459 17.103 ( -3.166 -3.164 1.217) 4.638 17.184 ( 5.416 5.296 5.591) 9.415 17.251 ( -3.989 -2.473 4.617) 6.584 17.326 ( -6.365 -4.902 0.136) 8.035 18.017 ( 9.624 12.043 -12.416) 19.794 18.066 ( 9.792 13.346 -27.213) 31.852 18.776 ( 3.106 -0.796 23.775) 23.991 19.095 ( -12.369 -5.117 26.256) 29.471 19.316 ( -0.090 -0.085 -0.011) 0.125 19.316 ( -0.156 -0.015 -0.044) 0.163 19.326 ( 0.341 -0.215 0.025) 0.404 19.356 ( -1.604 -1.195 1.858) 2.730 19.378 ( 0.371 0.269 -0.048) 0.460 19.383 ( 0.096 -0.123 0.116) 0.195 19.396 ( 0.025 0.170 -0.231) 0.288 19.413 ( -1.568 0.205 1.229) 2.003 19.765 ( 0.500 -0.223 -0.371) 0.661 19.777 ( 0.491 0.353 -0.037) 0.606 19.778 ( 0.452 0.276 0.033) 0.530 19.787 ( -0.557 -0.407 -0.149) 0.706 19.792 ( -0.343 0.159 0.060) 0.383 19.794 ( -0.307 0.004 0.062) 0.313 19.802 ( 0.240 -0.124 0.190) 0.330 19.812 ( -0.359 -0.167 0.532) 0.663 20.377 ( 5.509 0.971 -16.373) 17.302 20.659 ( -8.457 -3.759 -14.783) 17.441 37.379 ( -0.292 -0.437 0.116) 0.539 37.384 ( -0.437 -0.691 0.199) 0.841 37.402 ( 0.094 0.097 -0.366) 0.390 37.405 ( -0.042 0.107 -0.498) 0.511 37.421 ( 0.004 0.623 0.485) 0.790 37.425 ( -0.172 0.513 0.791) 0.958 37.434 ( 0.527 -0.078 0.008) 0.533 37.442 ( 0.157 -0.192 0.313) 0.400 59.759 ( 0.368 1.533 0.528) 1.662 59.788 ( 5.466 4.463 0.191) 7.059 59.853 ( -2.691 8.026 2.483) 8.822 60.042 ( -4.585 6.274 -2.010) 8.026 60.152 ( 12.423 -4.239 4.047) 13.736 60.621 ( 17.152 -2.745 -3.301) 17.681 60.720 ( -16.386 -9.006 20.518) 27.760 61.412 ( -20.047 -9.801 -3.858) 22.645======================= Grid point 59 (17/30) =======================q-point: (-0.50 0.17 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.213 ( -10.504 0.422 21.771) 24.177 1.213 ( 10.504 0.422 21.771) 24.177 1.541 ( -15.987 13.318 5.010) 21.402 1.541 ( 15.987 13.318 5.010) 21.402 1.885 ( -7.078 -3.891 -3.504) 8.804 1.885 ( 7.078 -3.891 -3.504) 8.804 2.102 ( -4.157 2.355 1.481) 5.002 2.102 ( 4.157 2.355 1.481) 5.002 2.242 ( -3.493 0.391 2.447) 4.283 2.242 ( 3.493 0.391 2.447) 4.283 2.323 ( -6.649 0.709 -2.096) 7.007 2.323 ( 6.649 0.709 -2.096) 7.007 2.398 ( -10.077 -1.415 -3.731) 10.838 2.398 ( 10.077 -1.415 -3.731) 10.838 2.503 ( -2.712 -1.660 4.914) 5.853 2.503 ( 2.712 -1.660 4.914) 5.853 2.613 ( -5.311 1.612 5.542) 7.843 2.613 ( 5.311 1.612 5.542) 7.843 2.639 ( -8.475 2.715 0.585) 8.918 2.639 ( 8.475 2.715 0.585) 8.918 2.726 ( -2.831 -0.777 2.149) 3.638 2.726 ( 2.831 -0.777 2.149) 3.638 2.819 ( -2.795 1.287 5.773) 6.541 2.819 ( 2.795 1.287 5.773) 6.541 2.886 ( -2.732 -1.342 2.583) 3.992 2.886 ( 2.732 -1.342 2.583) 3.992 2.953 ( -6.116 -0.236 2.607) 6.653 2.953 ( 6.116 -0.236 2.607) 6.653 3.097 ( -3.334 0.376 2.213) 4.019 3.097 ( 3.334 0.376 2.213) 4.019 3.148 ( -2.459 0.089 -3.596) 4.357 3.148 ( 2.459 0.089 -3.596) 4.357 3.252 ( -2.630 1.060 1.372) 3.150 3.252 ( 2.630 1.060 1.372) 3.150 3.307 ( -2.402 -2.701 0.865) 3.717 3.307 ( 2.402 -2.701 0.865) 3.717 3.435 ( -5.408 0.692 1.605) 5.683 3.435 ( 5.408 0.692 1.605) 5.683 3.520 ( -3.250 2.737 -3.750) 5.667 3.520 ( 3.250 2.737 -3.750) 5.667 3.596 ( -2.475 1.723 -5.892) 6.619 3.596 ( 2.475 1.723 -5.892) 6.619 3.689 ( -4.397 2.019 -10.143) 11.238 3.689 ( 4.397 2.019 -10.143) 11.238 3.763 ( -4.104 -1.002 -4.238) 5.984 3.763 ( 4.104 -1.002 -4.238) 5.984 3.938 ( -8.246 3.623 -13.452) 16.189 3.938 ( 8.246 3.623 -13.452) 16.189 4.005 ( -2.343 -4.681 -0.862) 5.305 4.005 ( 2.343 -4.681 -0.862) 5.305 4.122 ( -6.447 -0.668 0.278) 6.487 4.122 ( 6.447 -0.668 0.278) 6.487 4.171 ( -2.264 -0.902 0.625) 2.516 4.171 ( 2.264 -0.902 0.625) 2.516 4.211 ( -3.409 -0.832 -3.097) 4.680 4.211 ( 3.409 -0.832 -3.097) 4.680 4.311 ( -1.060 -2.243 4.771) 5.377 4.311 ( 1.060 -2.243 4.771) 5.377 4.554 ( -5.081 0.197 4.314) 6.668 4.554 ( 5.081 0.197 4.314) 6.668 4.611 ( -1.547 -2.065 2.803) 3.810 4.611 ( 1.547 -2.065 2.803) 3.810 4.683 ( -1.198 0.254 3.355) 3.572 4.683 ( 1.198 0.254 3.355) 3.572 4.793 ( -3.960 -0.746 2.537) 4.762 4.793 ( 3.960 -0.746 2.537) 4.762 4.902 ( -2.068 1.348 -2.311) 3.381 4.902 ( 2.068 1.348 -2.311) 3.381 5.023 ( -4.161 -1.272 3.271) 5.444 5.023 ( 4.161 -1.272 3.271) 5.444 5.098 ( -2.436 -0.333 1.389) 2.824 5.098 ( 2.436 -0.333 1.389) 2.824 5.189 ( -2.356 -4.224 1.804) 5.162 5.189 ( 2.356 -4.224 1.804) 5.162 5.358 ( -1.902 -4.480 0.003) 4.867 5.358 ( 1.902 -4.480 0.003) 4.867 5.439 ( -1.565 3.789 -0.950) 4.208 5.439 ( 1.565 3.789 -0.950) 4.208 5.513 ( -1.736 -1.830 -2.893) 3.839 5.513 ( 1.736 -1.830 -2.893) 3.839 5.607 ( -1.893 -4.716 1.583) 5.323 5.607 ( 1.893 -4.716 1.583) 5.323 5.817 ( -3.104 -1.734 -0.704) 3.625 5.817 ( 3.104 -1.734 -0.704) 3.625 5.865 ( -4.733 -1.617 1.718) 5.288 5.865 ( 4.733 -1.617 1.718) 5.288 5.959 ( -1.999 3.859 0.508) 4.376 5.959 ( 1.999 3.859 0.508) 4.376 6.123 ( -1.109 1.948 -0.185) 2.249 6.123 ( 1.109 1.948 -0.185) 2.249 6.289 ( -1.652 0.719 -4.338) 4.697 6.289 ( 1.652 0.719 -4.338) 4.697 6.352 ( -3.276 0.363 0.343) 3.314 6.352 ( 3.276 0.363 0.343) 3.314 6.465 ( -4.222 5.088 -0.744) 6.654 6.465 ( 4.222 5.088 -0.744) 6.654 6.606 ( -6.205 0.667 5.732) 8.474 6.606 ( 6.205 0.667 5.732) 8.474 7.119 ( -10.903 1.104 -10.785) 15.376 7.119 ( 10.903 1.104 -10.785) 15.376 17.035 ( -2.467 -3.333 -0.741) 4.213 17.035 ( 2.467 -3.333 -0.741) 4.213 17.094 ( -8.991 -9.285 -0.893) 12.956 17.094 ( 8.991 -9.285 -0.893) 12.956 17.267 ( -3.170 4.206 7.327) 9.023 17.267 ( 3.170 4.206 7.327) 9.023 18.135 ( -2.022 12.400 -19.194) 22.941 18.135 ( 2.022 12.400 -19.194) 22.941 18.885 ( -9.085 -2.580 26.846) 28.459 18.885 ( 9.085 -2.580 26.846) 28.459 19.315 ( -0.007 -0.050 -0.021) 0.055 19.315 ( 0.007 -0.050 -0.021) 0.055 19.336 ( -0.730 -0.494 0.311) 0.935 19.336 ( 0.730 -0.494 0.311) 0.935 19.383 ( -0.118 0.010 0.062) 0.134 19.383 ( 0.118 0.010 0.062) 0.134 19.399 ( -0.375 0.487 -0.228) 0.655 19.399 ( 0.375 0.487 -0.228) 0.655 19.775 ( -0.622 -0.400 -0.234) 0.776 19.775 ( 0.622 -0.400 -0.234) 0.776 19.785 ( -0.418 0.234 0.012) 0.479 19.785 ( 0.418 0.234 0.012) 0.479 19.787 ( -0.440 0.191 0.056) 0.482 19.787 ( 0.440 0.191 0.056) 0.482 19.807 ( -0.267 -0.115 0.247) 0.382 19.807 ( 0.267 -0.115 0.247) 0.382 20.503 ( -7.996 -1.357 -16.023) 17.958 20.503 ( 7.996 -1.357 -16.023) 17.958 37.378 ( -0.160 -0.537 0.212) 0.599 37.378 ( 0.160 -0.537 0.212) 0.599 37.404 ( -0.092 0.138 -0.518) 0.544 37.404 ( 0.092 0.138 -0.518) 0.544 37.422 ( -0.136 0.552 0.706) 0.906 37.422 ( 0.136 0.552 0.706) 0.906 37.441 ( -0.258 -0.169 0.133) 0.336 37.441 ( 0.258 -0.169 0.133) 0.336 59.787 ( -2.462 5.234 1.897) 6.087 59.787 ( 2.462 5.234 1.897) 6.087 59.924 ( -7.101 5.700 -1.389) 9.211 59.924 ( 7.101 5.700 -1.389) 9.211 60.409 ( -15.015 -6.230 11.838) 20.110 60.409 ( 15.015 -6.230 11.838) 20.110 61.016 ( -22.129 -6.447 -5.086) 23.604 61.016 ( 22.129 -6.447 -5.086) 23.604======================= Grid point 65 (18/30) =======================q-point: ( 0.33 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 55Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.104 ( 6.727 6.727 25.692) 27.397 1.340 ( -0.165 -0.165 12.523) 12.526 1.569 ( 12.057 12.057 8.289) 18.960 1.730 ( 3.196 3.196 -1.528) 4.771 1.886 ( -3.558 -3.558 3.385) 6.064 1.959 ( 0.787 0.787 -0.838) 1.393 2.058 ( -0.319 -0.319 3.737) 3.764 2.174 ( -0.114 -0.114 6.591) 6.593 2.183 ( 7.221 7.221 -7.110) 12.443 2.218 ( 9.794 9.794 -1.808) 13.968 2.274 ( 0.739 0.739 3.272) 3.435 2.333 ( 6.033 6.033 3.848) 9.359 2.348 ( -3.759 -3.759 -6.563) 8.446 2.375 ( -3.359 -3.359 0.146) 4.753 2.428 ( 1.803 1.803 6.711) 7.180 2.545 ( -0.676 -0.676 0.313) 1.006 2.564 ( 1.505 1.505 3.788) 4.344 2.570 ( 2.167 2.167 -6.939) 7.585 2.669 ( 0.383 0.383 5.595) 5.621 2.682 ( 2.166 2.166 -4.550) 5.485 2.689 ( 1.203 1.203 6.339) 6.563 2.775 ( 0.379 0.379 2.045) 2.114 2.801 ( 2.655 2.655 5.912) 7.003 2.850 ( -1.531 -1.531 5.385) 5.804 2.854 ( -1.141 -1.141 2.053) 2.612 2.949 ( -1.479 -1.479 1.943) 2.856 2.976 ( -1.175 -1.175 -3.936) 4.272 2.988 ( -4.794 -4.794 5.888) 8.980 3.029 ( -0.197 -0.197 4.254) 4.263 3.087 ( -2.840 -2.840 -0.330) 4.030 3.124 ( 1.107 1.107 -2.451) 2.908 3.186 ( 1.311 1.311 0.652) 1.965 3.213 ( -0.549 -0.549 0.433) 0.890 3.308 ( 2.597 2.597 3.152) 4.840 3.330 ( -1.962 -1.962 0.750) 2.875 3.389 ( -2.921 -2.921 -3.026) 5.121 3.487 ( -2.287 -2.287 8.118) 8.738 3.514 ( -0.775 -0.775 -11.342) 11.394 3.535 ( 0.953 0.953 -0.972) 1.662 3.549 ( -0.342 -0.342 -5.520) 5.541 3.597 ( -0.333 -0.333 0.743) 0.880 3.610 ( 1.030 1.030 -6.528) 6.688 3.686 ( -1.101 -1.101 -1.784) 2.368 3.711 ( -3.782 -3.782 -0.591) 5.381 3.765 ( 1.397 1.397 -5.711) 6.043 3.799 ( 3.137 3.137 -0.534) 4.468 3.848 ( 2.829 2.829 -9.972) 10.745 3.903 ( -0.365 -0.365 -2.008) 2.073 3.912 ( 2.346 2.346 -15.394) 15.747 4.032 ( 1.512 1.512 -3.336) 3.963 4.032 ( -0.471 -0.471 -3.451) 3.514 4.136 ( -1.772 -1.772 -2.162) 3.310 4.156 ( -4.755 -4.755 -5.165) 8.479 4.178 ( -2.095 -2.095 1.881) 3.510 4.238 ( -1.425 -1.425 -6.696) 6.993 4.257 ( 1.021 1.021 2.451) 2.845 4.296 ( -2.227 -2.227 0.412) 3.177 4.319 ( -1.615 -1.615 3.452) 4.139 4.504 ( 2.649 2.649 2.225) 4.357 4.561 ( -3.081 -3.081 0.093) 4.358 4.585 ( -0.904 -0.904 7.044) 7.159 4.645 ( -0.913 -0.913 1.456) 1.946 4.691 ( -0.857 -0.857 -1.312) 1.786 4.692 ( -2.243 -2.243 4.641) 5.621 4.763 ( 0.578 0.578 6.114) 6.169 4.779 ( -0.298 -0.298 6.164) 6.178 4.889 ( -1.049 -1.049 3.007) 3.353 4.931 ( 2.913 2.913 -0.341) 4.134 4.946 ( -0.670 -0.670 -1.030) 1.399 5.037 ( 2.026 2.026 -0.125) 2.867 5.075 ( -4.694 -4.694 4.002) 7.751 5.135 ( 0.792 0.792 2.266) 2.527 5.179 ( -2.903 -2.903 2.708) 4.918 5.214 ( -2.344 -2.344 -0.850) 3.423 5.249 ( -1.217 -1.217 2.072) 2.693 5.359 ( -0.570 -0.570 -1.738) 1.916 5.361 ( -3.450 -3.450 2.090) 5.308 5.439 ( -2.097 -2.097 -5.281) 6.057 5.445 ( 0.273 0.273 -1.130) 1.194 5.528 ( 0.599 0.599 -2.558) 2.694 5.604 ( -0.312 -0.312 2.210) 2.253 5.630 ( 2.558 2.558 1.190) 3.808 5.667 ( 1.528 1.528 0.411) 2.200 5.764 ( 0.739 0.739 -0.628) 1.219 5.872 ( -4.798 -4.798 0.601) 6.811 5.890 ( -5.457 -5.457 2.024) 7.978 5.982 ( -0.311 -0.311 0.669) 0.801 6.032 ( -3.510 -3.510 -0.373) 4.978 6.141 ( 3.024 3.024 -1.256) 4.458 6.172 ( 2.090 2.090 -0.423) 2.986 6.282 ( 1.616 1.616 -4.709) 5.234 6.288 ( 2.556 2.556 -2.847) 4.602 6.329 ( 4.287 4.287 2.290) 6.480 6.424 ( 0.885 0.885 2.599) 2.884 6.463 ( 5.045 5.045 -0.530) 7.154 6.524 ( 3.278 3.278 2.130) 5.101 6.591 ( -0.103 -0.103 1.117) 1.127 6.684 ( -2.488 -2.488 5.516) 6.542 6.996 ( 6.768 6.768 -11.972) 15.328 7.251 ( -4.455 -4.455 -12.093) 13.635 16.858 ( -0.192 -0.192 0.935) 0.974 16.974 ( 0.124 0.124 -3.409) 3.413 17.046 ( -2.891 -2.891 -1.404) 4.322 17.086 ( -10.090 -10.090 -1.314) 14.329 17.284 ( 4.822 4.822 9.369) 11.588 17.342 ( 1.681 1.681 10.135) 10.410 18.240 ( 10.753 10.753 -13.941) 20.630 18.280 ( 8.628 8.628 -20.375) 23.749 18.767 ( 0.379 0.379 23.968) 23.974 18.966 ( -8.307 -8.307 24.838) 27.476 19.314 ( -0.082 -0.082 -0.014) 0.117 19.315 ( -0.116 -0.116 -0.058) 0.175 19.324 ( 0.043 0.043 0.122) 0.136 19.338 ( -0.756 -0.756 0.638) 1.245 19.382 ( 0.129 0.129 0.035) 0.186 19.383 ( 0.050 0.050 0.129) 0.147 19.400 ( 0.338 0.338 -0.499) 0.691 19.413 ( -0.201 -0.201 -0.482) 0.560 19.763 ( 0.109 0.109 -0.404) 0.432 19.778 ( -0.524 -0.524 -0.269) 0.788 19.784 ( 0.359 0.359 0.088) 0.515 19.784 ( 0.350 0.350 0.077) 0.500 19.793 ( -0.105 -0.105 0.116) 0.188 19.795 ( -0.020 -0.020 0.072) 0.078 19.800 ( 0.024 0.024 0.252) 0.254 19.808 ( -0.235 -0.235 0.298) 0.447 20.409 ( 2.616 2.616 -16.679) 17.084 20.571 ( -5.402 -5.402 -15.842) 17.587 37.372 ( -0.304 -0.304 0.283) 0.514 37.374 ( -0.402 -0.402 0.270) 0.629 37.405 ( 0.150 0.150 -0.539) 0.580 37.407 ( 0.064 0.064 -0.611) 0.618 37.431 ( 0.266 0.266 0.267) 0.461 37.431 ( 0.126 0.126 0.719) 0.741 37.433 ( 0.086 0.086 0.252) 0.279 37.439 ( -0.083 -0.083 0.341) 0.361 59.812 ( 4.265 4.265 1.561) 6.230 59.908 ( 8.064 8.064 -0.786) 11.431 60.018 ( 1.214 1.214 -0.112) 1.720 60.053 ( 3.576 3.576 9.147) 10.452 60.145 ( 0.827 0.827 -1.642) 2.016 60.487 ( -11.807 -11.807 15.663) 22.894 60.655 ( 5.245 5.245 -5.297) 9.115 61.168 ( -15.868 -15.868 -4.895) 22.968======================= Grid point 66 (19/30) =======================q-point: (-0.50 0.33 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.246 ( -7.782 2.609 19.829) 21.461 1.246 ( 7.782 2.609 19.829) 21.461 1.794 ( -3.369 5.654 3.042) 7.251 1.794 ( 3.369 5.654 3.042) 7.251 1.825 ( -6.019 4.626 3.627) 8.414 1.825 ( 6.019 4.626 3.627) 8.414 2.132 ( -5.577 1.873 -1.525) 6.078 2.132 ( 5.577 1.873 -1.525) 6.078 2.259 ( -1.627 -3.181 0.623) 3.626 2.259 ( 1.627 -3.181 0.623) 3.626 2.299 ( -3.474 -0.178 -0.324) 3.493 2.299 ( 3.474 -0.178 -0.324) 3.493 2.356 ( -3.491 -3.409 -4.980) 6.972 2.356 ( 3.491 -3.409 -4.980) 6.972 2.509 ( -2.889 3.354 2.288) 4.983 2.509 ( 2.889 3.354 2.288) 4.983 2.654 ( -4.188 0.823 1.911) 4.676 2.654 ( 4.188 0.823 1.911) 4.676 2.707 ( -4.275 3.920 -2.773) 6.429 2.707 ( 4.275 3.920 -2.773) 6.429 2.732 ( -6.397 1.962 2.959) 7.316 2.732 ( 6.397 1.962 2.959) 7.316 2.814 ( -0.469 -0.291 4.753) 4.785 2.814 ( 0.469 -0.291 4.753) 4.785 2.868 ( -4.714 -0.502 6.017) 7.660 2.868 ( 4.714 -0.502 6.017) 7.660 2.945 ( -2.951 -1.172 1.684) 3.594 2.945 ( 2.951 -1.172 1.684) 3.594 3.045 ( -1.800 -4.699 2.034) 5.427 3.045 ( 1.800 -4.699 2.034) 5.427 3.197 ( -2.653 3.624 -2.856) 5.322 3.197 ( 2.653 3.624 -2.856) 5.322 3.257 ( -4.446 0.267 3.864) 5.897 3.257 ( 4.446 0.267 3.864) 5.897 3.299 ( -1.446 2.516 2.446) 3.796 3.299 ( 1.446 2.516 2.446) 3.796 3.458 ( -5.347 0.532 2.061) 5.756 3.458 ( 5.347 0.532 2.061) 5.756 3.533 ( -0.928 -1.658 -7.554) 7.790 3.533 ( 0.928 -1.658 -7.554) 7.790 3.625 ( -1.930 0.716 -3.636) 4.179 3.625 ( 1.930 0.716 -3.636) 4.179 3.692 ( -4.939 0.605 -2.682) 5.653 3.692 ( 4.939 0.605 -2.682) 5.653 3.808 ( -4.851 0.422 -0.628) 4.909 3.808 ( 4.851 0.421 -0.628) 4.909 3.902 ( -5.097 -3.194 -5.945) 8.457 3.902 ( 5.097 -3.194 -5.945) 8.457 4.002 ( -5.818 3.061 -10.404) 12.307 4.002 ( 5.818 3.061 -10.404) 12.307 4.074 ( -4.782 -4.360 -6.029) 8.845 4.074 ( 4.782 -4.360 -6.029) 8.845 4.110 ( -3.414 -1.167 -1.322) 3.842 4.110 ( 3.414 -1.167 -1.322) 3.842 4.237 ( -1.978 -0.504 -1.925) 2.806 4.237 ( 1.978 -0.504 -1.925) 2.806 4.300 ( -1.659 2.111 2.267) 3.514 4.300 ( 1.659 2.111 2.267) 3.514 4.538 ( -0.859 -1.856 1.529) 2.553 4.538 ( 0.859 -1.856 1.529) 2.553 4.604 ( -4.303 1.375 1.628) 4.802 4.604 ( 4.303 1.375 1.628) 4.802 4.658 ( -0.506 -2.792 4.452) 5.280 4.658 ( 0.506 -2.792 4.452) 5.280 4.772 ( -1.108 -0.499 6.593) 6.704 4.772 ( 1.108 -0.499 6.593) 6.704 4.927 ( -3.584 -1.365 1.554) 4.138 4.927 ( 3.584 -1.365 1.554) 4.138 4.984 ( -3.125 -2.121 2.008) 4.277 4.984 ( 3.125 -2.121 2.008) 4.277 5.100 ( -4.111 2.237 1.130) 4.815 5.100 ( 4.111 2.237 1.130) 4.815 5.162 ( -0.472 0.740 1.551) 1.783 5.162 ( 0.472 0.740 1.551) 1.783 5.287 ( -3.620 -1.610 0.466) 3.989 5.287 ( 3.620 -1.610 0.466) 3.989 5.409 ( -3.458 -4.237 -2.721) 6.109 5.409 ( 3.458 -4.237 -2.721) 6.109 5.471 ( -3.942 -5.337 -2.025) 6.937 5.471 ( 3.942 -5.337 -2.025) 6.937 5.620 ( -1.604 5.506 1.087) 5.836 5.620 ( 1.604 5.506 1.087) 5.836 5.772 ( -3.814 -2.511 -0.040) 4.566 5.772 ( 3.814 -2.511 -0.040) 4.566 5.804 ( -0.303 -3.580 1.575) 3.923 5.804 ( 0.303 -3.580 1.575) 3.923 5.975 ( -1.171 -2.020 -0.214) 2.345 5.975 ( 1.171 -2.020 -0.214) 2.345 6.181 ( -1.031 3.148 -0.934) 3.442 6.181 ( 1.031 3.148 -0.934) 3.442 6.305 ( -0.456 0.756 -3.677) 3.782 6.305 ( 0.456 0.756 -3.677) 3.782 6.405 ( -2.998 4.770 3.244) 6.501 6.405 ( 2.998 4.770 3.244) 6.501 6.547 ( -3.740 2.680 1.612) 4.876 6.547 ( 3.740 2.680 1.612) 4.876 6.615 ( -4.883 0.619 2.460) 5.502 6.615 ( 4.883 0.619 2.460) 5.502 7.136 ( -7.553 0.543 -12.133) 14.302 7.136 ( 7.553 0.543 -12.133) 14.302 16.919 ( -6.158 -6.724 0.096) 9.118 16.919 ( 6.158 -6.724 0.096) 9.118 17.002 ( -1.564 -1.778 -2.987) 3.812 17.002 ( 1.564 -1.778 -2.987) 3.812 17.345 ( -1.584 3.503 11.088) 11.735 17.345 ( 1.584 3.503 11.088) 11.735 18.358 ( -0.945 10.291 -16.738) 19.671 18.358 ( 0.945 10.291 -16.738) 19.671 18.822 ( -6.083 -3.894 24.541) 25.582 18.822 ( 6.083 -3.894 24.541) 25.582 19.313 ( -0.033 -0.090 -0.024) 0.099 19.313 ( 0.033 -0.090 -0.024) 0.099 19.328 ( -0.341 -0.301 0.226) 0.508 19.328 ( 0.341 -0.301 0.226) 0.508 19.383 ( -0.013 0.015 0.105) 0.107 19.383 ( 0.013 0.015 0.105) 0.107 19.407 ( -0.369 0.341 -0.717) 0.876 19.407 ( 0.369 0.341 -0.717) 0.876 19.769 ( -0.424 -0.299 -0.371) 0.638 19.769 ( 0.424 -0.299 -0.371) 0.638 19.789 ( -0.102 0.110 0.173) 0.229 19.789 ( 0.102 0.110 0.173) 0.229 19.791 ( -0.196 0.308 0.063) 0.371 19.791 ( 0.196 0.308 0.063) 0.371 19.804 ( -0.271 -0.211 0.227) 0.412 19.804 ( 0.271 -0.211 0.227) 0.412 20.476 ( -4.579 -1.351 -16.606) 17.279 20.476 ( 4.579 -1.351 -16.606) 17.279 37.370 ( -0.056 -0.349 0.335) 0.488 37.370 ( 0.056 -0.349 0.335) 0.488 37.407 ( -0.077 0.156 -0.673) 0.696 37.407 ( 0.077 0.156 -0.673) 0.696 37.431 ( -0.075 0.361 0.530) 0.646 37.431 ( 0.075 0.361 0.530) 0.646 37.438 ( -0.175 -0.200 0.288) 0.391 37.438 ( 0.175 -0.200 0.288) 0.391 59.911 ( -6.229 7.809 2.736) 10.357 59.911 ( 6.229 7.809 2.736) 10.357 60.062 ( -7.742 8.249 -1.311) 11.389 60.062 ( 7.742 8.249 -1.311) 11.389 60.262 ( -12.194 -9.058 9.985) 18.178 60.262 ( 12.194 -9.058 9.985) 18.178 60.866 ( -15.682 -8.624 -5.681) 18.777 60.866 ( 15.682 -8.624 -5.681) 18.777======================= Grid point 76 (20/30) =======================q-point: (-0.50 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 26Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.277 ( 0.000 0.000 18.517) 18.517 1.277 ( 0.000 0.000 18.517) 18.517 1.766 ( 0.000 0.000 8.076) 8.076 1.766 ( 0.000 0.000 8.076) 8.076 1.996 ( 0.000 0.000 -1.197) 1.197 1.996 ( 0.000 0.000 -1.197) 1.197 2.111 ( 0.000 0.000 -2.243) 2.243 2.111 ( 0.000 0.000 -2.243) 2.243 2.228 ( -0.000 -0.000 3.564) 3.564 2.228 ( 0.000 0.000 3.565) 3.565 2.285 ( 0.000 0.000 -5.636) 5.636 2.285 ( 0.000 0.000 -5.636) 5.636 2.314 ( 0.000 0.000 -0.445) 0.445 2.314 ( 0.000 0.000 -0.445) 0.445 2.604 ( -0.000 -0.000 0.097) 0.097 2.604 ( 0.000 0.000 0.097) 0.097 2.609 ( -0.000 -0.000 -0.006) 0.006 2.609 ( 0.000 0.000 -0.006) 0.006 2.748 ( 0.000 0.000 11.097) 11.097 2.748 ( 0.000 0.000 11.097) 11.097 2.769 ( 0.000 0.000 -7.721) 7.721 2.769 ( 0.000 0.000 -7.721) 7.721 2.814 ( 0.000 0.000 4.313) 4.313 2.814 ( 0.000 0.000 4.313) 4.313 2.858 ( 0.000 0.000 5.859) 5.859 2.858 ( 0.000 0.000 5.859) 5.859 2.938 ( 0.000 0.000 -3.740) 3.740 2.938 ( 0.000 0.000 -3.740) 3.740 2.988 ( 0.000 0.000 1.152) 1.152 2.988 ( 0.000 0.000 1.152) 1.152 3.204 ( 0.000 0.000 2.481) 2.481 3.204 ( 0.000 0.000 2.481) 2.481 3.296 ( 0.000 0.000 -1.818) 1.818 3.296 ( 0.000 0.000 -1.818) 1.818 3.383 ( 0.000 0.000 3.946) 3.946 3.383 ( 0.000 0.000 3.946) 3.946 3.421 ( -0.000 -0.000 10.313) 10.313 3.421 ( -0.000 -0.000 10.313) 10.313 3.494 ( -0.000 -0.000 -10.613) 10.613 3.494 ( 0.000 0.000 -10.613) 10.613 3.649 ( 0.000 0.000 1.289) 1.289 3.649 ( 0.000 0.000 1.289) 1.289 3.680 ( -0.000 -0.000 -2.669) 2.669 3.680 ( 0.000 0.000 -2.669) 2.669 3.754 ( 0.000 0.000 2.081) 2.081 3.754 ( 0.000 0.000 2.081) 2.081 3.945 ( -0.000 -0.000 -17.504) 17.504 3.945 ( 0.000 0.000 -17.504) 17.504 3.992 ( 0.000 0.000 -4.005) 4.005 3.992 ( 0.000 0.000 -4.005) 4.005 4.034 ( -0.000 -0.000 -4.604) 4.604 4.034 ( 0.000 0.000 -4.604) 4.604 4.136 ( 0.000 0.000 -0.527) 0.527 4.136 ( 0.000 0.000 -0.527) 0.527 4.210 ( 0.000 0.000 -7.110) 7.110 4.210 ( 0.000 0.000 -7.110) 7.110 4.330 ( 0.000 0.000 0.457) 0.457 4.330 ( 0.000 0.000 0.457) 0.457 4.518 ( -0.000 -0.000 -0.008) 0.008 4.518 ( 0.000 0.000 -0.008) 0.008 4.616 ( 0.000 0.000 4.308) 4.308 4.616 ( 0.000 0.000 4.308) 4.308 4.629 ( 0.000 0.000 -1.109) 1.109 4.629 ( 0.000 0.000 -1.109) 1.109 4.781 ( 0.000 0.000 10.851) 10.851 4.781 ( 0.000 0.000 10.851) 10.851 4.863 ( 0.000 0.000 8.570) 8.570 4.863 ( 0.000 0.000 8.570) 8.570 4.990 ( 0.000 0.000 -0.982) 0.982 4.990 ( 0.000 0.000 -0.982) 0.982 5.136 ( 0.000 0.000 1.010) 1.010 5.136 ( 0.000 0.000 1.010) 1.010 5.178 ( 0.000 0.000 1.179) 1.179 5.178 ( 0.000 0.000 1.179) 1.179 5.283 ( 0.000 0.000 0.367) 0.367 5.283 ( 0.000 0.000 0.367) 0.367 5.355 ( 0.000 0.000 -3.657) 3.657 5.355 ( 0.000 0.000 -3.657) 3.657 5.405 ( 0.000 0.000 -2.627) 2.627 5.405 ( 0.000 0.000 -2.627) 2.627 5.702 ( 0.000 0.000 4.340) 4.340 5.702 ( 0.000 0.000 4.340) 4.340 5.718 ( -0.000 -0.000 -0.023) 0.023 5.718 ( 0.000 0.000 -0.023) 0.023 5.779 ( 0.000 0.000 -1.262) 1.262 5.779 ( 0.000 0.000 -1.262) 1.262 5.941 ( 0.000 0.000 -0.624) 0.624 5.941 ( 0.000 0.000 -0.624) 0.624 6.211 ( 0.000 0.000 -1.232) 1.232 6.211 ( 0.000 0.000 -1.232) 1.232 6.313 ( 0.000 0.000 -3.289) 3.289 6.313 ( 0.000 0.000 -3.289) 3.289 6.468 ( 0.000 0.000 5.921) 5.921 6.468 ( 0.000 0.000 5.921) 5.921 6.554 ( 0.000 0.000 2.216) 2.216 6.554 ( 0.000 0.000 2.216) 2.216 6.630 ( 0.000 0.000 0.233) 0.233 6.630 ( 0.000 0.000 0.233) 0.233 7.140 ( 0.000 0.000 -12.901) 12.901 7.140 ( 0.000 0.000 -12.901) 12.901 16.854 ( 0.000 0.000 0.892) 0.892 16.854 ( 0.000 0.000 0.892) 0.892 16.986 ( 0.000 0.000 -3.887) 3.887 16.986 ( 0.000 0.000 -3.887) 3.887 17.379 ( 0.000 0.000 12.410) 12.410 17.379 ( 0.000 0.000 12.410) 12.410 18.466 ( 0.000 0.000 -17.184) 17.184 18.466 ( 0.000 0.000 -17.184) 17.184 18.774 ( -0.000 -0.000 24.993) 24.993 18.774 ( 0.000 0.000 24.993) 24.993 19.312 ( 0.000 0.000 -0.012) 0.012 19.312 ( 0.000 0.000 -0.012) 0.012 19.325 ( -0.000 -0.000 0.202) 0.202 19.325 ( 0.000 0.000 0.202) 0.202 19.383 ( 0.000 0.000 0.114) 0.114 19.383 ( 0.000 0.000 0.114) 0.114 19.410 ( 0.000 0.000 -0.930) 0.930 19.410 ( 0.000 0.000 -0.930) 0.930 19.766 ( 0.000 0.000 -0.432) 0.432 19.766 ( 0.000 0.000 -0.432) 0.432 19.790 ( 0.000 0.000 0.223) 0.223 19.790 ( 0.000 0.000 0.223) 0.223 19.796 ( 0.000 0.000 0.016) 0.016 19.796 ( 0.000 0.000 0.016) 0.016 19.800 ( 0.000 0.000 0.275) 0.275 19.800 ( 0.000 0.000 0.275) 0.275 20.462 ( 0.000 0.000 -16.899) 16.899 20.462 ( 0.000 0.000 -16.899) 16.899 37.366 ( 0.000 0.000 0.387) 0.387 37.366 ( 0.000 0.000 0.387) 0.387 37.409 ( 0.000 0.000 -0.783) 0.783 37.409 ( 0.000 0.000 -0.783) 0.783 37.434 ( 0.000 0.000 0.504) 0.504 37.434 ( 0.000 0.000 0.504) 0.504 37.436 ( 0.000 0.000 0.351) 0.351 37.436 ( 0.000 0.000 0.351) 0.351 60.037 ( -0.000 -0.000 1.790) 1.790 60.037 ( 0.000 0.000 1.790) 1.790 60.122 ( 0.000 0.000 10.767) 10.767 60.122 ( 0.000 0.000 10.767) 10.767 60.160 ( -0.000 -0.000 -1.358) 1.358 60.160 ( 0.000 0.000 -1.358) 1.358 60.767 ( 0.000 0.000 -6.185) 6.185 60.767 ( 0.000 0.000 -6.185) 6.185======================= Grid point 98 (21/30) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 0.000 0.000 20.282) 20.282 0.753 ( 0.000 0.000 20.282) 20.282 1.115 ( 0.000 0.000 -19.828) 19.828 1.115 ( 0.000 0.000 -19.828) 19.828 1.794 ( 0.000 0.000 38.603) 38.603 2.102 ( 0.000 0.000 12.569) 12.569 2.188 ( 0.000 0.000 11.943) 11.943 2.188 ( 0.000 0.000 11.943) 11.943 2.188 ( -0.000 -0.000 -5.764) 5.764 2.218 ( -0.000 -0.000 -2.476) 2.476 2.316 ( 0.000 0.000 4.141) 4.141 2.316 ( 0.000 0.000 4.141) 4.141 2.462 ( 0.000 0.000 -0.659) 0.659 2.462 ( 0.000 0.000 -0.659) 0.659 2.510 ( 0.000 0.000 -9.586) 9.586 2.510 ( -0.000 0.000 -9.586) 9.586 2.567 ( 0.000 -0.000 0.188) 0.188 2.616 ( 0.000 0.000 2.437) 2.437 2.652 ( -0.000 0.000 -1.283) 1.283 2.710 ( -0.000 -0.000 -3.593) 3.593 2.818 ( -0.000 0.000 14.766) 14.766 2.849 ( 0.000 0.000 16.009) 16.009 2.849 ( 0.000 0.000 16.009) 16.009 2.865 ( -0.000 0.000 -9.923) 9.923 2.910 ( 0.000 0.000 -7.411) 7.411 2.964 ( 0.000 0.000 13.871) 13.871 2.969 ( 0.000 0.000 7.661) 7.661 2.969 ( 0.000 0.000 7.661) 7.661 2.999 ( 0.000 0.000 -1.998) 1.998 3.009 ( -0.000 -0.000 -6.773) 6.773 3.161 ( 0.000 0.000 -4.253) 4.253 3.161 ( -0.000 0.000 -4.253) 4.253 3.223 ( 0.000 0.000 -17.130) 17.130 3.265 ( 0.000 -0.000 -15.756) 15.756 3.265 ( 0.000 0.000 -15.756) 15.756 3.355 ( -0.000 0.000 -19.582) 19.582 3.386 ( 0.000 0.000 2.005) 2.005 3.386 ( 0.000 0.000 2.005) 2.005 3.487 ( -0.000 -0.000 -8.381) 8.381 3.487 ( 0.000 0.000 -8.381) 8.381 3.595 ( 0.000 0.000 2.745) 2.745 3.664 ( 0.000 0.000 -4.588) 4.588 3.672 ( 0.000 0.000 6.132) 6.132 3.691 ( -0.000 -0.000 10.283) 10.283 3.774 ( -0.000 0.000 4.219) 4.219 3.774 ( 0.000 0.000 4.219) 4.219 3.780 ( 0.000 -0.000 -1.597) 1.597 3.842 ( -0.000 0.000 -0.438) 0.438 3.843 ( 0.000 0.000 -2.601) 2.601 3.843 ( -0.000 -0.000 -2.601) 2.601 4.199 ( 0.000 0.000 6.508) 6.508 4.318 ( -0.000 0.000 -4.679) 4.679 4.395 ( -0.000 -0.000 0.611) 0.611 4.405 ( 0.000 0.000 4.803) 4.803 4.405 ( 0.000 0.000 4.803) 4.803 4.423 ( 0.000 0.000 -2.417) 2.417 4.486 ( 0.000 0.000 -3.054) 3.054 4.486 ( 0.000 0.000 -3.054) 3.054 4.492 ( 0.000 0.000 7.563) 7.563 4.589 ( 0.000 0.000 -2.440) 2.440 4.684 ( -0.000 -0.000 2.970) 2.970 4.696 ( 0.000 0.000 3.985) 3.985 4.696 ( -0.000 -0.000 3.985) 3.985 4.708 ( 0.000 0.000 -0.719) 0.719 4.752 ( 0.000 0.000 0.461) 0.461 4.765 ( 0.000 0.000 -2.461) 2.461 4.765 ( 0.000 0.000 -2.461) 2.461 4.778 ( 0.000 0.000 -2.435) 2.435 5.151 ( 0.000 0.000 0.430) 0.430 5.151 ( 0.000 0.000 0.430) 0.430 5.173 ( 0.000 0.000 -1.923) 1.923 5.173 ( 0.000 0.000 -1.923) 1.923 5.348 ( 0.000 0.000 2.527) 2.527 5.348 ( 0.000 0.000 2.527) 2.527 5.354 ( 0.000 0.000 6.038) 6.038 5.395 ( -0.000 -0.000 0.838) 0.838 5.397 ( -0.000 0.000 -2.689) 2.689 5.397 ( -0.000 0.000 -2.689) 2.689 5.425 ( 0.000 0.000 -2.724) 2.724 5.480 ( 0.000 0.000 -7.769) 7.769 5.687 ( 0.000 0.000 2.479) 2.479 5.687 ( 0.000 0.000 2.479) 2.479 5.735 ( -0.000 -0.000 -2.188) 2.188 5.735 ( -0.000 0.000 -2.188) 2.188 5.802 ( -0.000 0.000 9.007) 9.007 5.946 ( 0.000 0.000 1.942) 1.942 5.981 ( 0.000 0.000 -2.060) 2.060 6.005 ( 0.000 0.000 -13.092) 13.092 6.062 ( 0.000 0.000 1.654) 1.654 6.086 ( -0.000 -0.000 -1.047) 1.047 6.115 ( 0.000 0.000 3.883) 3.883 6.115 ( -0.000 0.000 3.883) 3.883 6.181 ( -0.000 0.000 -3.150) 3.150 6.181 ( 0.000 0.000 -3.150) 3.150 6.385 ( 0.000 0.000 1.174) 1.174 6.419 ( -0.000 0.000 -2.163) 2.163 6.498 ( 0.000 0.000 2.754) 2.754 6.556 ( 0.000 0.000 -3.453) 3.453 7.075 ( 0.000 0.000 11.912) 11.912 7.276 ( -0.000 0.000 -9.839) 9.839 16.885 ( 0.000 0.000 1.684) 1.684 16.885 ( 0.000 0.000 1.684) 1.684 16.922 ( 0.000 -0.000 -2.345) 2.345 16.922 ( 0.000 0.000 -2.345) 2.345 17.349 ( 0.000 0.000 8.373) 8.373 17.349 ( 0.000 0.000 8.373) 8.373 17.508 ( 0.000 0.000 -8.810) 8.810 17.508 ( 0.000 0.000 -8.810) 8.810 19.198 ( -0.000 0.000 27.011) 27.011 19.320 ( 0.000 0.000 0.038) 0.038 19.320 ( -0.000 -0.000 0.038) 0.038 19.321 ( 0.000 0.000 -0.070) 0.070 19.321 ( 0.000 0.000 -0.070) 0.070 19.359 ( -0.000 0.000 -0.574) 0.574 19.387 ( -0.000 0.000 3.002) 3.002 19.394 ( -0.000 0.000 0.041) 0.041 19.395 ( 0.000 0.000 -0.099) 0.099 19.681 ( 0.000 0.000 -12.041) 12.041 19.763 ( 0.000 0.000 0.136) 0.136 19.765 ( 0.000 0.000 -0.097) 0.097 19.788 ( 0.000 0.000 1.934) 1.934 19.799 ( 0.000 0.000 0.111) 0.111 19.799 ( 0.000 -0.000 0.111) 0.111 19.801 ( 0.000 -0.000 -0.092) 0.092 19.801 ( 0.000 0.000 -0.092) 0.092 19.900 ( 0.000 0.000 -16.375) 16.375 20.273 ( 0.000 0.000 18.514) 18.514 20.624 ( 0.000 0.000 -18.847) 18.847 37.401 ( 0.000 0.000 0.101) 0.101 37.404 ( -0.000 0.000 -0.198) 0.198 37.409 ( 0.000 0.000 0.137) 0.137 37.409 ( 0.000 0.000 0.137) 0.137 37.411 ( -0.000 -0.000 -0.098) 0.098 37.411 ( -0.000 -0.000 -0.098) 0.098 37.431 ( 0.000 0.000 0.636) 0.636 37.437 ( -0.000 0.000 -0.030) 0.030 59.762 ( 0.000 0.000 5.118) 5.118 59.853 ( -0.000 0.000 -4.559) 4.559 59.879 ( -0.000 -0.000 6.421) 6.421 59.879 ( 0.000 0.000 6.421) 6.421 59.995 ( 0.000 0.000 -6.018) 6.018 59.995 ( 0.000 0.000 -6.018) 6.018 61.972 ( 0.000 0.000 0.819) 0.819 61.990 ( 0.000 0.000 -1.200) 1.200======================= Grid point 99 (22/30) =======================q-point: ( 0.17 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.884 ( 12.963 0.000 17.106) 21.463 1.064 ( 26.480 0.000 13.706) 29.817 1.203 ( 9.047 0.000 -17.874) 20.033 1.324 ( 19.804 0.000 -15.058) 24.879 1.800 ( 1.383 0.000 31.885) 31.915 2.015 ( -10.138 0.000 3.045) 10.586 2.027 ( -5.958 0.000 16.108) 17.174 2.196 ( -1.448 0.000 7.427) 7.567 2.218 ( -0.076 0.000 -3.188) 3.189 2.269 ( 0.028 0.000 4.143) 4.143 2.312 ( -0.769 0.000 0.758) 1.080 2.403 ( 0.701 0.000 -10.797) 10.820 2.418 ( -0.169 0.000 1.301) 1.312 2.454 ( -0.950 0.000 -0.750) 1.210 2.498 ( 3.498 0.000 2.249) 4.159 2.515 ( 3.745 0.000 3.131) 4.882 2.629 ( 0.341 0.000 -0.068) 0.348 2.638 ( -1.854 0.000 -0.655) 1.966 2.667 ( 6.085 0.000 -3.463) 7.002 2.724 ( 1.102 0.000 2.113) 2.383 2.792 ( -3.120 0.000 10.696) 11.142 2.822 ( -1.010 0.000 4.378) 4.493 2.839 ( 1.588 0.000 12.521) 12.622 2.868 ( -1.399 0.000 11.452) 11.537 2.917 ( 0.958 0.000 0.002) 0.958 2.921 ( -2.912 0.000 10.378) 10.779 2.940 ( 0.110 0.000 -0.038) 0.117 2.966 ( 3.096 0.000 -15.830) 16.130 3.005 ( 0.890 0.000 0.715) 1.141 3.098 ( 3.457 0.000 -2.087) 4.038 3.129 ( 0.883 0.000 -3.527) 3.636 3.204 ( -0.951 0.000 -1.461) 1.743 3.223 ( -2.034 0.000 -15.231) 15.366 3.251 ( 0.702 0.000 -7.490) 7.523 3.284 ( 2.288 0.000 -12.305) 12.516 3.339 ( -3.828 0.000 -1.436) 4.089 3.360 ( -3.072 0.000 0.929) 3.210 3.407 ( 1.836 0.000 -8.684) 8.875 3.447 ( -4.221 0.000 -7.231) 8.373 3.453 ( -0.082 0.000 -9.870) 9.870 3.584 ( -3.617 0.000 2.186) 4.227 3.594 ( -3.877 0.000 -0.358) 3.894 3.656 ( 1.192 0.000 5.185) 5.321 3.705 ( -3.749 0.000 4.305) 5.709 3.738 ( 3.210 0.000 -3.301) 4.604 3.772 ( -1.860 0.000 0.585) 1.950 3.792 ( -3.231 0.000 -1.047) 3.396 3.821 ( 0.300 0.000 -3.397) 3.410 3.914 ( 5.736 0.000 0.465) 5.755 3.919 ( 6.549 0.000 0.382) 6.560 4.076 ( -11.080 0.000 8.231) 13.803 4.219 ( -9.226 0.000 -5.941) 10.973 4.300 ( -7.651 0.000 1.428) 7.783 4.322 ( -5.679 0.000 -1.791) 5.954 4.403 ( -1.939 0.000 1.921) 2.730 4.441 ( -2.743 0.000 -1.197) 2.993 4.469 ( 2.611 0.000 2.620) 3.699 4.489 ( -1.432 0.000 6.057) 6.224 4.518 ( 1.872 0.000 0.613) 1.970 4.603 ( -6.441 0.000 3.711) 7.433 4.615 ( 0.798 0.000 -4.593) 4.662 4.671 ( -4.328 0.000 -2.441) 4.969 4.712 ( 1.621 0.000 2.064) 2.625 4.714 ( 0.813 0.000 0.232) 0.845 4.740 ( 3.580 0.000 4.248) 5.555 4.787 ( 2.076 0.000 1.021) 2.313 4.815 ( 4.884 0.000 -0.534) 4.914 4.845 ( 3.376 0.000 -2.500) 4.200 5.148 ( -0.557 0.000 0.573) 0.800 5.155 ( 0.380 0.000 0.388) 0.543 5.163 ( -1.785 0.000 0.147) 1.791 5.180 ( 1.195 0.000 -1.184) 1.682 5.291 ( -3.575 0.000 2.197) 4.196 5.318 ( -5.432 0.000 1.377) 5.604 5.327 ( -1.803 0.000 -0.497) 1.870 5.362 ( -3.108 0.000 -2.251) 3.838 5.404 ( 3.859 0.000 0.881) 3.959 5.426 ( 0.293 0.000 -1.597) 1.624 5.523 ( 8.087 0.000 0.561) 8.106 5.554 ( 3.689 0.000 -2.375) 4.387 5.626 ( -3.329 0.000 0.211) 3.336 5.647 ( -5.430 0.000 -0.761) 5.483 5.701 ( 1.570 0.000 1.745) 2.347 5.732 ( 1.986 0.000 -0.504) 2.049 5.830 ( 0.742 0.000 4.824) 4.880 5.905 ( -6.076 0.000 0.497) 6.096 6.004 ( 3.771 0.000 2.676) 4.624 6.056 ( 1.660 0.000 -2.631) 3.111 6.064 ( 1.255 0.000 1.173) 1.717 6.094 ( 3.803 0.000 -2.037) 4.314 6.142 ( -2.725 0.000 -1.541) 3.130 6.147 ( 0.540 0.000 -4.707) 4.738 6.185 ( 5.831 0.000 1.851) 6.118 6.232 ( 4.685 0.000 -3.435) 5.809 6.408 ( 1.532 0.000 0.913) 1.784 6.451 ( 1.452 0.000 -3.972) 4.229 6.499 ( 0.858 0.000 3.001) 3.121 6.563 ( 2.669 0.000 -4.134) 4.920 7.027 ( -5.054 0.000 11.551) 12.609 7.226 ( -5.247 0.000 -10.262) 11.525 16.923 ( 3.891 0.000 0.991) 4.016 16.940 ( 2.794 0.000 -1.040) 2.982 17.018 ( 9.584 0.000 1.925) 9.776 17.110 ( 19.502 0.000 -9.331) 21.619 17.316 ( -3.465 0.000 7.543) 8.300 17.367 ( 1.615 0.000 9.245) 9.385 17.461 ( -4.971 0.000 -7.963) 9.387 17.549 ( 3.993 0.000 -10.343) 11.086 19.216 ( 1.967 0.000 26.050) 26.124 19.317 ( -0.327 0.000 0.247) 0.410 19.318 ( -0.203 0.000 -0.113) 0.232 19.319 ( -0.134 0.000 -0.003) 0.134 19.324 ( 0.484 0.000 0.650) 0.810 19.364 ( 0.458 0.000 -0.435) 0.632 19.391 ( 0.455 0.000 3.537) 3.566 19.393 ( -0.126 0.000 0.044) 0.133 19.394 ( -0.062 0.000 0.057) 0.084 19.698 ( 1.680 0.000 -10.451) 10.585 19.765 ( 0.211 0.000 0.190) 0.284 19.768 ( 0.254 0.000 -0.095) 0.271 19.780 ( -0.959 0.000 2.183) 2.384 19.797 ( -0.254 0.000 0.047) 0.259 19.798 ( -0.327 0.000 -0.192) 0.379 19.799 ( -0.273 0.000 -0.060) 0.279 19.804 ( 0.375 0.000 0.654) 0.754 19.917 ( 1.936 0.000 -18.101) 18.204 20.135 ( -13.166 0.000 22.332) 25.924 20.538 ( -8.724 0.000 -20.875) 22.624 37.394 ( -0.656 0.000 0.096) 0.663 37.397 ( -0.354 0.000 -0.240) 0.427 37.405 ( -0.364 0.000 0.083) 0.374 37.406 ( -0.372 0.000 0.000) 0.372 37.413 ( 0.365 0.000 0.239) 0.436 37.418 ( 0.540 0.000 -0.289) 0.612 37.437 ( 0.351 0.000 0.659) 0.747 37.443 ( 0.421 0.000 0.049) 0.424 59.737 ( -0.345 0.000 2.644) 2.667 59.784 ( -3.384 0.000 -2.327) 4.107 59.865 ( -1.611 0.000 5.869) 6.086 59.968 ( -1.728 0.000 -4.338) 4.669 60.035 ( 12.799 0.000 6.550) 14.378 60.176 ( 15.429 0.000 -7.562) 17.183 61.715 ( -25.739 0.000 8.697) 27.168 61.805 ( -16.946 0.000 -2.683) 17.157======================= Grid point 100 (23/30) =======================q-point: ( 0.33 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.178 ( 17.821 0.000 12.220) 21.608 1.414 ( 12.835 0.000 -12.780) 18.113 1.489 ( 15.091 0.000 18.362) 23.768 1.723 ( 20.654 0.000 -9.448) 22.712 1.800 ( -13.459 0.000 5.457) 14.523 1.852 ( 1.169 0.000 9.908) 9.977 1.923 ( -4.466 0.000 8.905) 9.962 2.146 ( 0.260 0.000 6.867) 6.872 2.203 ( -1.902 0.000 -0.314) 1.928 2.225 ( -5.256 0.000 -8.485) 9.981 2.264 ( -5.437 0.000 -3.287) 6.354 2.299 ( -1.075 0.000 -1.543) 1.881 2.466 ( 1.399 0.000 6.917) 7.057 2.550 ( 4.929 0.000 -0.934) 5.016 2.556 ( -0.982 0.000 4.899) 4.997 2.606 ( 5.761 0.000 3.270) 6.624 2.617 ( 0.286 0.000 0.612) 0.676 2.617 ( 4.579 0.000 4.403) 6.353 2.704 ( 0.396 0.000 0.777) 0.872 2.738 ( -1.688 0.000 2.562) 3.068 2.779 ( 3.008 0.000 1.103) 3.204 2.809 ( -4.099 0.000 3.368) 5.305 2.832 ( -1.742 0.000 11.831) 11.958 2.876 ( 3.051 0.000 8.511) 9.041 2.942 ( 3.421 0.000 6.297) 7.166 2.954 ( 5.202 0.000 7.552) 9.170 2.993 ( 2.799 0.000 0.815) 2.916 3.049 ( 4.727 0.000 -0.134) 4.729 3.066 ( -3.314 0.000 -4.008) 5.201 3.104 ( 4.623 0.000 -11.164) 12.084 3.107 ( 0.337 0.000 5.068) 5.079 3.198 ( -7.525 0.000 -4.875) 8.966 3.199 ( 2.164 0.000 -14.588) 14.748 3.239 ( 4.951 0.000 -9.910) 11.078 3.250 ( -6.297 0.000 0.150) 6.298 3.302 ( 1.639 0.000 3.194) 3.590 3.335 ( 0.113 0.000 -10.930) 10.931 3.392 ( 1.025 0.000 -2.115) 2.350 3.437 ( 0.594 0.000 -8.089) 8.111 3.480 ( -6.705 0.000 -0.755) 6.748 3.499 ( -4.484 0.000 -3.287) 5.560 3.557 ( -1.341 0.000 4.803) 4.987 3.577 ( -7.939 0.000 -3.711) 8.764 3.639 ( -3.666 0.000 4.913) 6.130 3.640 ( -5.298 0.000 2.662) 5.929 3.705 ( -4.298 0.000 -4.351) 6.115 3.762 ( -3.806 0.000 -5.588) 6.761 3.826 ( -6.400 0.000 -11.065) 12.782 3.998 ( 4.419 0.000 2.641) 5.148 3.999 ( 2.511 0.000 1.221) 2.792 4.019 ( 5.438 0.000 -0.226) 5.443 4.076 ( 0.811 0.000 -3.769) 3.855 4.188 ( -4.086 0.000 3.536) 5.403 4.248 ( -2.682 0.000 -2.511) 3.674 4.316 ( -6.990 0.000 2.302) 7.360 4.347 ( -6.944 0.000 -0.490) 6.961 4.465 ( -0.770 0.000 7.463) 7.502 4.501 ( -3.392 0.000 7.460) 8.195 4.523 ( 3.251 0.000 1.435) 3.554 4.579 ( 3.917 0.000 -2.545) 4.672 4.596 ( -0.582 0.000 -4.362) 4.401 4.625 ( -1.686 0.000 -5.280) 5.542 4.714 ( -2.412 0.000 1.221) 2.704 4.721 ( -0.920 0.000 1.094) 1.429 4.822 ( 4.187 0.000 3.423) 5.408 4.825 ( 1.973 0.000 3.609) 4.113 4.891 ( 0.989 0.000 -1.212) 1.564 4.892 ( 1.709 0.000 -0.306) 1.736 5.094 ( -2.299 0.000 2.857) 3.667 5.116 ( -2.174 0.000 0.424) 2.215 5.174 ( -0.023 0.000 2.482) 2.483 5.195 ( -5.404 0.000 1.948) 5.744 5.224 ( 2.987 0.000 -0.537) 3.035 5.255 ( 0.235 0.000 -1.731) 1.747 5.298 ( -1.253 0.000 -0.759) 1.465 5.306 ( -2.236 0.000 -2.000) 2.999 5.437 ( 0.041 0.000 1.323) 1.324 5.469 ( 2.209 0.000 -2.171) 3.097 5.510 ( -4.642 0.000 2.962) 5.507 5.558 ( -3.963 0.000 -1.243) 4.153 5.654 ( 6.041 0.000 0.351) 6.051 5.681 ( 5.799 0.000 -2.626) 6.366 5.755 ( 2.157 0.000 2.340) 3.183 5.792 ( 2.962 0.000 -1.279) 3.226 5.828 ( 0.320 0.000 2.616) 2.636 5.842 ( 0.267 0.000 2.234) 2.250 5.998 ( -4.383 0.000 0.906) 4.476 6.011 ( -4.754 0.000 -0.364) 4.768 6.100 ( 1.661 0.000 1.263) 2.087 6.126 ( 1.010 0.000 1.377) 1.707 6.160 ( 1.201 0.000 -5.088) 5.228 6.182 ( 3.095 0.000 -4.978) 5.862 6.297 ( 5.272 0.000 0.007) 5.272 6.307 ( 3.408 0.000 -1.072) 3.572 6.411 ( -1.072 0.000 -0.005) 1.072 6.425 ( -2.868 0.000 -1.477) 3.226 6.571 ( 7.123 0.000 5.492) 8.995 6.699 ( 10.563 0.000 -9.147) 13.973 6.901 ( -8.237 0.000 10.442) 13.300 7.093 ( -8.888 0.000 -10.873) 14.043 17.012 ( 4.941 0.000 0.469) 4.963 17.025 ( 6.970 0.000 -0.719) 7.007 17.214 ( 10.165 0.000 8.712) 13.388 17.228 ( -5.713 0.000 5.484) 7.920 17.332 ( -7.951 0.000 -4.949) 9.366 17.394 ( 0.070 0.000 10.224) 10.224 17.454 ( 15.058 0.000 -18.368) 23.751 17.626 ( 3.304 0.000 -14.244) 14.622 19.264 ( 2.745 0.000 17.183) 17.401 19.309 ( -0.515 0.000 1.049) 1.168 19.315 ( -0.130 0.000 -0.145) 0.195 19.316 ( -0.142 0.000 -0.087) 0.166 19.345 ( 2.047 0.000 4.427) 4.878 19.373 ( 0.544 0.000 -0.201) 0.580 19.389 ( -0.275 0.000 0.034) 0.277 19.390 ( -0.345 0.000 0.092) 0.357 19.412 ( 2.310 0.000 9.535) 9.811 19.720 ( -7.556 0.000 13.542) 15.507 19.736 ( 2.189 0.000 -5.829) 6.227 19.773 ( 0.435 0.000 0.109) 0.449 19.774 ( 0.433 0.000 -0.083) 0.441 19.788 ( -0.706 0.000 -0.594) 0.923 19.791 ( -0.414 0.000 0.021) 0.414 19.792 ( -0.467 0.000 0.001) 0.467 19.812 ( 0.499 0.000 1.242) 1.339 19.895 ( -8.987 0.000 16.110) 18.448 19.981 ( 5.412 0.000 -22.907) 23.538 20.336 ( -12.166 0.000 -24.558) 27.406 37.386 ( -0.174 0.000 0.228) 0.287 37.393 ( -0.081 0.000 -0.517) 0.523 37.397 ( -0.585 0.000 0.115) 0.596 37.399 ( -0.326 0.000 -0.161) 0.364 37.422 ( 0.550 0.000 0.559) 0.784 37.430 ( 0.702 0.000 -0.333) 0.777 37.439 ( -0.181 0.000 0.839) 0.858 37.447 ( -0.016 0.000 -0.079) 0.081 59.756 ( 0.154 0.000 0.420) 0.447 59.763 ( 2.868 0.000 -0.359) 2.890 59.825 ( -2.528 0.000 4.700) 5.337 59.910 ( -3.985 0.000 -4.317) 5.876 60.336 ( 18.969 0.000 10.190) 21.533 60.518 ( 21.256 0.000 -9.165) 23.148 61.199 ( -27.795 0.000 15.947) 32.045 61.408 ( -24.591 0.000 -7.924) 25.836======================= Grid point 101 (24/30) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( -17.437 0.000 8.185) 19.262 1.509 ( 17.437 0.000 8.185) 19.262 1.600 ( -3.518 0.000 7.206) 8.019 1.600 ( 3.518 0.000 7.206) 8.019 1.832 ( -2.356 0.000 4.981) 5.510 1.832 ( 2.356 0.000 4.981) 5.510 2.042 ( -13.279 0.000 -6.613) 14.835 2.042 ( 13.279 0.000 -6.613) 14.835 2.205 ( -1.272 0.000 -4.063) 4.257 2.205 ( 1.272 0.000 -4.063) 4.257 2.242 ( -5.382 0.000 -4.972) 7.327 2.242 ( 5.382 0.000 -4.972) 7.327 2.518 ( -3.651 0.000 9.376) 10.062 2.518 ( 3.651 0.000 9.376) 10.062 2.600 ( -1.038 0.000 -0.492) 1.149 2.600 ( 1.038 0.000 -0.492) 1.149 2.696 ( -4.554 0.000 7.645) 8.898 2.696 ( 4.554 0.000 7.645) 8.898 2.704 ( -1.938 0.000 1.321) 2.346 2.704 ( 1.938 0.000 1.321) 2.346 2.800 ( -2.573 0.000 1.875) 3.184 2.800 ( 2.573 0.000 1.875) 3.184 2.891 ( -8.938 0.000 0.877) 8.981 2.891 ( 8.938 0.000 0.877) 8.981 2.977 ( -4.671 0.000 12.669) 13.502 2.977 ( 4.671 0.000 12.669) 13.502 3.025 ( -6.622 0.000 5.078) 8.345 3.025 ( 6.622 0.000 5.078) 8.345 3.073 ( -6.043 0.000 3.181) 6.829 3.073 ( 6.043 0.000 3.181) 6.829 3.189 ( -6.570 0.000 -2.889) 7.177 3.189 ( 6.570 0.000 -2.889) 7.177 3.189 ( -3.930 0.000 0.681) 3.989 3.189 ( 3.930 0.000 0.681) 3.989 3.317 ( -1.854 0.000 -14.956) 15.070 3.317 ( 1.854 0.000 -14.956) 15.070 3.336 ( -9.147 0.000 -4.782) 10.321 3.336 ( 9.147 0.000 -4.782) 10.321 3.368 ( -7.780 0.000 -7.094) 10.528 3.368 ( 7.780 0.000 -7.094) 10.528 3.529 ( -7.028 0.000 4.750) 8.483 3.529 ( 7.028 0.000 4.750) 8.483 3.555 ( -4.424 0.000 -0.756) 4.488 3.555 ( 4.424 0.000 -0.756) 4.488 3.636 ( -6.451 0.000 -8.083) 10.341 3.636 ( 6.451 0.000 -8.083) 10.341 3.701 ( -2.654 0.000 -8.195) 8.614 3.701 ( 2.654 0.000 -8.195) 8.614 4.075 ( -1.921 0.000 1.507) 2.442 4.075 ( 1.921 0.000 1.507) 2.442 4.096 ( -3.248 0.000 -0.149) 3.251 4.096 ( 3.248 0.000 -0.149) 3.251 4.187 ( -5.632 0.000 2.316) 6.089 4.187 ( 5.632 0.000 2.316) 6.089 4.232 ( -3.082 0.000 -1.547) 3.449 4.232 ( 3.082 0.000 -1.547) 3.449 4.462 ( -0.773 0.000 8.022) 8.059 4.462 ( 0.773 0.000 8.022) 8.059 4.588 ( -2.689 0.000 -4.519) 5.258 4.588 ( 2.689 0.000 -4.519) 5.258 4.629 ( -4.709 0.000 1.332) 4.894 4.629 ( 4.709 0.000 1.332) 4.894 4.667 ( -4.755 0.000 -1.875) 5.111 4.667 ( 4.755 0.000 -1.875) 5.111 4.866 ( -2.656 0.000 2.639) 3.744 4.866 ( 2.656 0.000 2.639) 3.744 4.877 ( -1.943 0.000 0.631) 2.043 4.877 ( 1.943 0.000 0.631) 2.043 5.125 ( -2.669 0.000 2.165) 3.436 5.125 ( 2.669 0.000 2.165) 3.436 5.127 ( -3.953 0.000 2.105) 4.479 5.127 ( 3.953 0.000 2.105) 4.479 5.273 ( -1.974 0.000 -0.839) 2.145 5.273 ( 1.974 0.000 -0.839) 2.145 5.281 ( -1.308 0.000 -1.746) 2.182 5.281 ( 1.308 0.000 -1.746) 2.182 5.445 ( -1.807 0.000 2.611) 3.175 5.445 ( 1.807 0.000 2.611) 3.175 5.501 ( -2.091 0.000 -2.950) 3.616 5.501 ( 2.091 0.000 -2.950) 3.616 5.740 ( -3.006 0.000 2.081) 3.656 5.740 ( 3.006 0.000 2.081) 3.656 5.774 ( -3.574 0.000 -1.406) 3.840 5.774 ( 3.574 0.000 -1.406) 3.840 5.899 ( -5.511 0.000 1.165) 5.633 5.899 ( 5.511 0.000 1.165) 5.633 5.911 ( -5.520 0.000 0.270) 5.527 5.911 ( 5.520 0.000 0.270) 5.527 6.125 ( -1.023 0.000 1.590) 1.891 6.125 ( 1.023 0.000 1.590) 1.891 6.188 ( -1.494 0.000 -5.254) 5.462 6.188 ( 1.494 0.000 -5.254) 5.462 6.370 ( -3.241 0.000 -0.006) 3.241 6.370 ( 3.241 0.000 -0.006) 3.241 6.374 ( -3.112 0.000 -0.536) 3.157 6.374 ( 3.112 0.000 -0.536) 3.157 6.734 ( -9.623 0.000 8.416) 12.783 6.734 ( 9.623 0.000 8.416) 12.783 6.906 ( -11.164 0.000 -10.781) 15.520 6.906 ( 11.164 0.000 -10.781) 15.520 17.116 ( -6.139 0.000 2.848) 6.767 17.116 ( 6.139 0.000 2.848) 6.767 17.172 ( -8.715 0.000 -2.986) 9.213 17.172 ( 8.715 0.000 -2.986) 9.213 17.356 ( -4.758 0.000 11.583) 12.522 17.356 ( 4.758 0.000 11.583) 12.522 17.629 ( -4.043 0.000 -18.194) 18.638 17.629 ( 4.043 0.000 -18.194) 18.638 19.297 ( -0.944 0.000 4.022) 4.132 19.297 ( 0.944 0.000 4.022) 4.132 19.314 ( -0.034 0.000 -0.138) 0.143 19.314 ( 0.034 0.000 -0.138) 0.143 19.379 ( -1.006 0.000 0.905) 1.353 19.379 ( 1.006 0.000 0.905) 1.353 19.382 ( -0.436 0.000 -0.035) 0.437 19.382 ( 0.436 0.000 -0.035) 0.437 19.524 ( -10.129 0.000 25.163) 27.125 19.524 ( 10.129 0.000 25.163) 27.125 19.770 ( -1.377 0.000 -1.909) 2.354 19.770 ( 1.377 0.000 -1.909) 2.354 19.782 ( -0.520 0.000 0.029) 0.521 19.782 ( 0.520 0.000 0.029) 0.521 19.783 ( -0.488 0.000 -0.026) 0.489 19.783 ( 0.488 0.000 -0.026) 0.489 19.825 ( -1.209 0.000 2.931) 3.171 19.825 ( 1.209 0.000 2.931) 3.171 20.124 ( -10.071 0.000 -26.034) 27.914 20.124 ( 10.071 0.000 -26.034) 27.914 37.388 ( -0.353 0.000 0.244) 0.430 37.388 ( 0.353 0.000 0.244) 0.430 37.394 ( -0.205 0.000 -0.455) 0.499 37.394 ( 0.205 0.000 -0.455) 0.499 37.432 ( -0.507 0.000 0.814) 0.959 37.432 ( 0.507 0.000 0.814) 0.959 37.442 ( -0.510 0.000 -0.264) 0.574 37.442 ( 0.510 0.000 -0.264) 0.574 59.780 ( -2.153 0.000 2.841) 3.565 59.780 ( 2.153 0.000 2.841) 3.565 59.831 ( -4.264 0.000 -2.681) 5.037 59.831 ( 4.264 0.000 -2.681) 5.037 60.726 ( -23.411 0.000 14.080) 27.319 60.726 ( 23.411 0.000 14.080) 27.319 60.945 ( -24.743 0.000 -9.847) 26.630 60.945 ( 24.743 0.000 -9.847) 26.630======================= Grid point 106 (25/30) =======================q-point: ( 0.17 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.045 ( 12.968 12.968 12.711) 22.314 1.218 ( 15.865 15.865 12.051) 25.467 1.303 ( 9.175 9.175 -12.448) 17.981 1.469 ( 14.756 14.756 -13.116) 24.648 1.827 ( 3.788 3.788 24.710) 25.284 1.932 ( -5.172 -5.172 10.105) 12.474 2.080 ( -1.655 -1.655 6.325) 6.744 2.111 ( -2.672 -2.672 8.811) 9.587 2.221 ( -1.294 -1.294 -1.069) 2.120 2.285 ( -0.837 -0.837 2.594) 2.851 2.317 ( 1.201 1.201 0.155) 1.706 2.391 ( -3.198 -3.198 -10.598) 11.523 2.417 ( -1.963 -1.963 -1.322) 3.074 2.441 ( 0.354 0.354 1.222) 1.321 2.498 ( -0.071 -0.071 -4.245) 4.246 2.526 ( 0.769 0.769 4.697) 4.821 2.548 ( -2.484 -2.484 2.592) 4.365 2.654 ( 1.072 1.072 7.115) 7.275 2.687 ( -2.938 -2.938 -2.967) 5.106 2.746 ( -1.298 -1.298 11.176) 11.325 2.757 ( 2.332 2.332 -3.993) 5.178 2.778 ( 0.595 0.595 6.847) 6.899 2.884 ( 2.715 2.715 11.005) 11.655 2.886 ( 1.032 1.032 4.764) 4.982 2.907 ( 1.807 1.807 13.692) 13.928 2.915 ( 0.675 0.675 -0.112) 0.961 2.988 ( 0.084 0.084 5.161) 5.162 2.997 ( 4.330 4.330 -16.180) 17.300 3.088 ( -3.665 -3.665 -1.245) 5.331 3.107 ( 3.730 3.730 4.863) 7.175 3.113 ( 5.993 5.993 -0.646) 8.501 3.161 ( -0.981 -0.981 -10.511) 10.602 3.198 ( -1.334 -1.334 -15.255) 15.371 3.240 ( -0.418 -0.418 -7.585) 7.608 3.304 ( -3.425 -3.425 1.162) 4.981 3.338 ( 1.215 1.215 -6.873) 7.084 3.340 ( -2.569 -2.569 -3.050) 4.744 3.415 ( 0.820 0.820 -12.130) 12.185 3.417 ( -0.191 -0.191 -1.836) 1.856 3.471 ( -0.959 -0.959 -2.252) 2.629 3.572 ( -2.224 -2.224 3.996) 5.086 3.626 ( -1.626 -1.626 -1.759) 2.895 3.641 ( -1.896 -1.896 -2.888) 3.941 3.647 ( 0.087 0.087 -2.446) 2.449 3.709 ( -0.343 -0.343 -1.702) 1.770 3.758 ( -1.976 -1.976 -2.768) 3.933 3.807 ( 1.133 1.133 3.623) 3.961 3.873 ( 1.219 1.219 -3.895) 4.259 3.923 ( 2.590 2.590 1.431) 3.932 3.949 ( 3.006 3.006 -0.241) 4.257 4.029 ( -6.019 -6.019 8.863) 12.289 4.157 ( -5.245 -5.245 -2.057) 7.698 4.249 ( -5.535 -5.535 -1.324) 7.939 4.254 ( -5.171 -5.171 -4.001) 8.337 4.390 ( -2.917 -2.917 2.689) 4.924 4.394 ( -3.412 -3.412 2.141) 5.279 4.434 ( -2.021 -2.021 1.962) 3.466 4.465 ( -2.308 -2.308 -1.460) 3.576 4.520 ( 0.404 0.404 5.255) 5.286 4.606 ( -0.224 -0.224 -1.841) 1.868 4.633 ( -0.920 -0.920 -1.825) 2.241 4.654 ( -1.137 -1.137 -1.707) 2.345 4.717 ( 0.363 0.363 4.681) 4.709 4.745 ( 2.531 2.531 2.409) 4.315 4.767 ( 3.260 3.260 2.281) 5.144 4.794 ( 1.393 1.393 -1.775) 2.652 4.825 ( 1.878 1.878 1.393) 3.000 4.859 ( 1.225 1.225 -2.292) 2.873 5.086 ( -2.430 -2.430 1.241) 3.654 5.092 ( -3.176 -3.176 0.329) 4.504 5.212 ( -1.797 -1.797 0.853) 2.681 5.225 ( 1.899 1.899 -0.767) 2.793 5.262 ( -2.430 -2.430 3.001) 4.562 5.299 ( 2.402 2.402 -1.323) 3.645 5.323 ( -2.357 -2.357 0.366) 3.354 5.345 ( 0.227 0.227 -1.861) 1.888 5.436 ( -2.336 -2.336 -0.036) 3.304 5.440 ( -4.214 -4.214 -0.289) 5.967 5.512 ( 1.530 1.530 0.464) 2.213 5.530 ( -1.387 -1.387 -0.717) 2.089 5.579 ( -1.770 -1.770 0.567) 2.567 5.583 ( 1.008 1.008 -0.337) 1.465 5.699 ( -0.488 -0.488 3.040) 3.118 5.740 ( -0.204 -0.204 -0.579) 0.647 5.904 ( 5.284 5.284 4.707) 8.832 5.984 ( 2.554 2.554 1.358) 3.859 6.030 ( 2.549 2.549 -2.311) 4.282 6.049 ( -1.573 -1.573 -0.587) 2.301 6.076 ( 0.716 0.716 -0.561) 1.158 6.090 ( 1.941 1.941 -2.841) 3.950 6.120 ( 0.054 0.054 0.987) 0.990 6.151 ( -0.347 -0.347 -4.031) 4.061 6.221 ( 3.653 3.653 1.951) 5.522 6.271 ( 3.362 3.362 -3.230) 5.747 6.426 ( 1.489 1.489 1.917) 2.847 6.486 ( 1.071 1.071 -0.805) 1.715 6.526 ( 4.586 4.586 -4.682) 7.998 6.551 ( 0.357 0.357 -2.607) 2.656 6.989 ( -4.021 -4.021 11.259) 12.613 7.189 ( -4.001 -4.001 -10.885) 12.268 16.887 ( -0.087 -0.087 1.458) 1.464 16.918 ( 0.089 0.089 -1.988) 1.992 17.144 ( 9.993 9.993 6.389) 15.509 17.251 ( -4.642 -4.642 5.916) 8.837 17.327 ( 14.596 14.596 -14.395) 25.166 17.367 ( -3.673 -3.673 -5.734) 7.737 17.430 ( 3.359 3.359 9.051) 10.222 17.639 ( 6.634 6.634 -12.043) 15.266 19.227 ( 1.268 1.268 25.199) 25.262 19.314 ( -0.291 -0.291 0.451) 0.611 19.317 ( -0.126 -0.126 -0.091) 0.200 19.318 ( -0.133 -0.133 -0.124) 0.225 19.327 ( 0.427 0.427 1.595) 1.706 19.368 ( 0.415 0.415 -0.355) 0.685 19.391 ( -0.076 -0.076 0.679) 0.688 19.393 ( -0.077 -0.077 -0.127) 0.167 19.394 ( 0.266 0.266 3.518) 3.538 19.707 ( 1.011 1.011 -9.344) 9.452 19.764 ( -1.321 -1.321 2.898) 3.448 19.769 ( 0.318 0.318 0.085) 0.457 19.773 ( -0.095 -0.095 0.808) 0.819 19.792 ( -0.484 -0.484 -0.347) 0.767 19.798 ( -0.064 -0.064 0.049) 0.103 19.799 ( -0.115 -0.115 -0.003) 0.163 19.806 ( 0.226 0.226 0.939) 0.992 19.931 ( 1.653 1.653 -19.416) 19.556 20.029 ( -10.001 -10.001 23.169) 27.144 20.463 ( -7.632 -7.632 -22.474) 24.931 37.390 ( -0.407 -0.407 0.184) 0.605 37.393 ( -0.377 -0.377 -0.089) 0.540 37.399 ( -0.273 -0.273 -0.007) 0.386 37.401 ( -0.263 -0.263 -0.221) 0.433 37.421 ( 0.406 0.406 0.111) 0.585 37.423 ( 0.417 0.417 -0.123) 0.603 37.441 ( 0.229 0.229 0.587) 0.670 37.444 ( 0.177 0.177 0.160) 0.297 59.732 ( 1.001 1.001 1.617) 2.149 59.760 ( -0.939 -0.939 -1.335) 1.883 59.949 ( 2.944 2.944 3.988) 5.765 60.028 ( 2.567 2.567 -1.662) 3.992 60.055 ( 5.644 5.644 6.771) 10.466 60.224 ( 8.118 8.118 -8.724) 14.420 61.504 ( -20.222 -20.222 13.300) 31.540 61.658 ( -15.056 -15.056 -5.133) 21.902======================= Grid point 107 (26/30) =======================q-point: ( 0.33 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.298 ( 14.335 11.440 9.182) 20.511 1.491 ( 12.290 7.175 -9.935) 17.356 1.506 ( 9.940 1.972 20.035) 22.452 1.751 ( 10.321 3.265 -1.139) 10.885 1.825 ( -5.589 2.331 3.690) 7.091 1.939 ( 4.337 5.102 -3.019) 7.345 1.967 ( -6.211 6.463 10.556) 13.848 2.118 ( 2.736 0.118 5.252) 5.923 2.186 ( -2.104 -3.695 -2.852) 5.120 2.253 ( -4.629 0.697 -0.004) 4.681 2.278 ( -1.051 -0.609 -3.558) 3.760 2.306 ( -3.352 5.545 -1.384) 6.626 2.404 ( 0.317 -5.076 1.286) 5.246 2.453 ( -1.806 -5.901 1.310) 6.308 2.501 ( 2.409 -3.756 1.139) 4.605 2.545 ( 2.089 -4.173 0.356) 4.681 2.600 ( 4.330 -3.668 -1.573) 5.889 2.620 ( 1.406 -5.623 -2.317) 6.242 2.684 ( -1.795 -4.103 12.387) 13.172 2.745 ( 4.304 5.582 6.101) 9.322 2.765 ( -2.007 -0.787 2.117) 3.021 2.855 ( 4.630 6.174 2.604) 8.145 2.867 ( -3.455 1.771 6.579) 7.639 2.917 ( 2.346 0.790 11.062) 11.336 2.950 ( 2.381 1.578 7.266) 7.807 2.978 ( 3.566 2.146 3.127) 5.206 2.998 ( 2.685 1.188 5.253) 6.018 3.022 ( 0.407 -0.014 -1.528) 1.581 3.076 ( 1.127 0.336 -6.957) 7.056 3.128 ( -0.766 0.267 -2.956) 3.065 3.167 ( 0.032 2.389 -0.041) 2.389 3.204 ( -4.366 -3.127 2.422) 5.891 3.223 ( 4.504 4.171 -7.319) 9.553 3.240 ( -2.490 2.360 -9.123) 9.746 3.252 ( 1.504 0.113 -2.855) 3.228 3.305 ( 5.630 0.255 -2.745) 6.269 3.345 ( -0.181 1.723 -9.647) 9.801 3.414 ( -0.449 1.402 -4.996) 5.208 3.427 ( -0.007 -0.720 -4.278) 4.339 3.460 ( 0.838 -0.507 1.108) 1.478 3.526 ( -9.803 3.722 -1.472) 10.589 3.546 ( -0.920 -1.465 1.631) 2.378 3.574 ( -5.353 -0.216 -4.892) 7.255 3.630 ( -1.926 -1.572 -3.446) 4.249 3.652 ( -2.464 2.086 -1.541) 3.577 3.728 ( -5.831 0.890 0.443) 5.915 3.765 ( -8.523 0.993 -2.206) 8.859 3.828 ( -2.569 1.346 -9.203) 9.650 3.969 ( 3.197 -1.056 0.878) 3.480 3.991 ( 3.018 -2.306 2.127) 4.353 4.047 ( 3.938 -0.540 0.456) 4.001 4.061 ( 0.253 -1.220 -3.041) 3.286 4.140 ( -1.167 -3.219 0.204) 3.430 4.222 ( -2.863 -3.156 -1.549) 4.534 4.284 ( -6.157 -2.875 1.394) 6.937 4.328 ( -5.689 -3.224 0.948) 6.607 4.401 ( -0.359 -4.121 4.838) 6.365 4.449 ( -0.070 -4.871 2.607) 5.525 4.528 ( 0.863 0.637 2.724) 2.927 4.588 ( -1.216 0.452 -0.155) 1.306 4.610 ( -1.071 -0.642 -4.270) 4.449 4.634 ( -0.366 0.786 -3.375) 3.484 4.705 ( -1.650 0.185 2.942) 3.378 4.748 ( -1.671 0.965 0.315) 1.955 4.827 ( 2.617 2.062 4.224) 5.380 4.864 ( 3.622 2.639 1.363) 4.685 4.874 ( 1.815 -0.478 1.145) 2.199 4.881 ( 0.942 -0.651 -1.185) 1.648 5.037 ( -0.839 -2.542 2.078) 3.388 5.086 ( 0.964 -4.040 0.996) 4.271 5.156 ( -2.351 -0.996 1.101) 2.781 5.173 ( -4.494 0.451 0.835) 4.593 5.204 ( -5.368 0.083 0.953) 5.452 5.282 ( -0.579 -0.751 2.271) 2.461 5.345 ( 1.093 -2.224 -3.744) 4.490 5.365 ( 3.055 4.532 -0.793) 5.523 5.393 ( -1.849 -8.126 2.180) 8.614 5.436 ( 1.250 -5.857 -0.978) 6.069 5.457 ( -3.029 -1.937 -1.326) 3.832 5.486 ( -1.826 6.430 -1.226) 6.796 5.583 ( 2.190 -8.764 0.694) 9.060 5.671 ( -0.075 0.136 3.369) 3.373 5.724 ( 4.212 -1.270 -1.440) 4.629 5.752 ( 3.951 -2.134 -0.034) 4.490 5.937 ( -2.110 4.709 2.747) 5.846 5.964 ( -2.686 4.677 0.533) 5.420 5.993 ( -3.640 -0.007 1.553) 3.958 6.035 ( -4.646 1.604 -0.489) 4.939 6.089 ( 2.209 -1.058 0.047) 2.450 6.118 ( 3.255 1.502 -1.038) 3.732 6.162 ( 1.067 0.421 -3.122) 3.326 6.187 ( 3.523 1.626 -3.646) 5.325 6.307 ( 4.074 1.544 1.563) 4.629 6.350 ( 5.550 3.984 -1.602) 7.017 6.414 ( -2.465 2.976 0.713) 3.929 6.510 ( -2.096 6.237 -1.427) 6.733 6.565 ( 7.645 -0.490 4.242) 8.757 6.703 ( 10.825 0.538 -9.507) 14.417 6.884 ( -7.195 -2.050 10.132) 12.595 7.079 ( -7.858 -1.843 -11.518) 14.065 16.938 ( 5.115 -5.553 0.471) 7.564 16.954 ( 3.626 -3.623 -1.217) 5.268 17.145 ( -5.757 -6.226 3.367) 9.124 17.218 ( -8.426 -9.059 -4.295) 13.096 17.341 ( 9.300 10.083 12.022) 18.240 17.481 ( 1.554 6.707 13.209) 14.896 17.631 ( 12.806 14.479 -20.200) 27.959 17.751 ( 4.654 10.111 -15.834) 19.354 19.262 ( 2.284 -0.172 17.968) 18.113 19.307 ( -0.515 -0.252 1.340) 1.457 19.315 ( -0.120 -0.066 -0.181) 0.227 19.315 ( -0.120 -0.092 -0.094) 0.178 19.346 ( 1.819 0.148 5.447) 5.745 19.377 ( 0.489 0.320 -0.167) 0.608 19.388 ( -0.263 -0.054 0.204) 0.337 19.390 ( -0.244 0.057 0.086) 0.265 19.407 ( 1.522 -0.437 8.112) 8.265 19.677 ( -9.160 -4.907 18.838) 21.514 19.733 ( 1.615 -0.260 -5.909) 6.131 19.776 ( 0.366 0.247 -0.148) 0.465 19.778 ( 0.342 0.236 -0.116) 0.432 19.781 ( -0.582 -0.458 -0.551) 0.924 19.793 ( -0.369 0.211 0.029) 0.426 19.795 ( -0.305 0.112 0.051) 0.329 19.812 ( 0.429 0.009 1.383) 1.448 19.866 ( -5.063 -2.353 10.993) 12.329 19.985 ( 4.487 0.517 -23.149) 23.585 20.287 ( -10.582 -5.001 -25.354) 27.925 37.383 ( -0.189 -0.200 0.318) 0.420 37.389 ( -0.262 -0.562 0.267) 0.675 37.393 ( -0.152 0.017 -0.514) 0.536 37.397 ( -0.246 -0.205 -0.374) 0.492 37.429 ( 0.369 0.504 0.299) 0.692 37.431 ( 0.523 0.176 -0.003) 0.552 37.442 ( -0.122 0.206 0.570) 0.618 37.446 ( -0.042 -0.051 0.067) 0.094 59.772 ( 2.236 2.334 0.789) 3.328 59.785 ( 4.436 3.246 -0.499) 5.520 59.913 ( -3.995 8.059 4.017) 9.851 59.989 ( -4.822 7.312 -3.850) 9.568 60.298 ( 17.267 -3.579 10.633) 20.592 60.489 ( 18.800 -2.495 -9.566) 21.241 61.078 ( -24.040 -12.180 16.274) 31.482 61.301 ( -22.348 -11.074 -8.832) 26.459======================= Grid point 108 (27/30) =======================q-point: (-0.50 0.17 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.534 ( -8.605 3.210 10.371) 13.853 1.534 ( 8.605 3.210 10.371) 13.853 1.690 ( -6.797 7.564 4.662) 11.187 1.690 ( 6.797 7.564 4.662) 11.187 1.827 ( -3.661 0.814 5.104) 6.334 1.827 ( 3.661 0.814 5.104) 6.334 2.087 ( -7.977 2.258 -10.078) 13.050 2.087 ( 7.977 2.258 -10.078) 13.050 2.184 ( -2.279 -0.381 0.159) 2.316 2.184 ( 2.279 -0.381 0.159) 2.316 2.279 ( -0.772 3.267 -3.758) 5.039 2.279 ( 0.772 3.267 -3.758) 5.039 2.433 ( -2.118 -5.759 5.904) 8.515 2.433 ( 2.118 -5.759 5.904) 8.515 2.535 ( -2.340 -4.781 -2.187) 5.755 2.535 ( 2.340 -4.781 -2.187) 5.755 2.671 ( -2.401 -3.186 2.673) 4.802 2.671 ( 2.401 -3.186 2.673) 4.802 2.702 ( -4.189 -2.734 -0.491) 5.026 2.702 ( 4.189 -2.734 -0.491) 5.026 2.798 ( -2.230 2.997 9.652) 10.350 2.798 ( 2.230 2.997 9.652) 10.350 2.967 ( -1.683 1.239 6.511) 6.838 2.967 ( 1.683 1.239 6.511) 6.838 2.990 ( -3.905 2.462 4.568) 6.495 2.990 ( 3.905 2.462 4.568) 6.495 3.042 ( -1.505 1.056 4.516) 4.876 3.042 ( 1.505 1.056 4.516) 4.876 3.072 ( -3.093 0.091 3.543) 4.704 3.072 ( 3.093 0.091 3.543) 4.704 3.166 ( -2.072 -0.121 1.701) 2.684 3.166 ( 2.072 -0.121 1.701) 2.684 3.248 ( -5.725 3.339 -0.690) 6.663 3.248 ( 5.725 3.339 -0.690) 6.663 3.284 ( -3.063 -1.132 -9.272) 9.830 3.284 ( 3.063 -1.132 -9.272) 9.830 3.343 ( -3.441 2.093 -6.382) 7.547 3.343 ( 3.441 2.093 -6.382) 7.547 3.442 ( -2.594 5.530 -6.612) 9.002 3.442 ( 2.594 5.530 -6.612) 9.002 3.504 ( -2.812 -1.681 4.496) 5.563 3.504 ( 2.812 -1.681 4.496) 5.563 3.582 ( -2.182 2.282 -5.745) 6.556 3.582 ( 2.182 2.282 -5.745) 6.556 3.661 ( -4.096 1.283 -4.102) 5.937 3.661 ( 4.096 1.283 -4.102) 5.937 3.689 ( -4.533 0.600 -10.218) 11.195 3.689 ( 4.533 0.600 -10.218) 11.195 4.025 ( -1.984 -1.864 1.138) 2.951 4.025 ( 1.984 -1.864 1.138) 2.951 4.124 ( -6.103 -2.058 1.086) 6.531 4.124 ( 6.103 -2.058 1.086) 6.531 4.169 ( -6.281 -2.388 0.703) 6.756 4.169 ( 6.281 -2.388 0.703) 6.756 4.200 ( -6.524 -1.918 -1.090) 6.887 4.200 ( 6.524 -1.918 -1.090) 6.887 4.430 ( -2.326 -3.133 7.452) 8.412 4.430 ( 2.326 -3.133 7.452) 8.412 4.556 ( -2.578 -3.249 -5.755) 7.094 4.556 ( 2.578 -3.249 -5.755) 7.094 4.628 ( -4.816 0.489 3.383) 5.906 4.628 ( 4.816 0.489 3.383) 5.906 4.692 ( -4.229 1.321 -2.473) 5.074 4.692 ( 4.229 1.321 -2.473) 5.074 4.864 ( -1.657 0.918 2.989) 3.539 4.864 ( 1.657 0.918 2.989) 3.539 4.894 ( -0.540 1.230 0.846) 1.588 4.894 ( 0.540 1.230 0.846) 1.588 5.073 ( -4.235 -1.438 1.730) 4.796 5.073 ( 4.235 -1.438 1.730) 4.796 5.119 ( -2.234 -2.013 0.309) 3.023 5.119 ( 2.234 -2.013 0.309) 3.023 5.222 ( -4.261 -1.582 1.702) 4.853 5.222 ( 4.261 -1.582 1.702) 4.853 5.364 ( -1.306 -4.048 0.669) 4.306 5.364 ( 1.306 -4.048 0.669) 4.306 5.423 ( -1.634 1.977 -0.339) 2.587 5.423 ( 1.634 1.977 -0.339) 2.587 5.454 ( -1.841 -0.795 -3.096) 3.688 5.454 ( 1.841 -0.795 -3.096) 3.688 5.636 ( -2.884 -5.946 1.124) 6.703 5.636 ( 2.884 -5.946 1.124) 6.703 5.803 ( -3.312 -2.183 -0.629) 4.016 5.803 ( 3.312 -2.183 -0.629) 4.016 5.907 ( -3.109 0.818 2.462) 4.049 5.907 ( 3.109 0.818 2.462) 4.049 5.962 ( -2.149 2.503 -0.635) 3.360 5.962 ( 2.149 2.503 -0.635) 3.360 6.128 ( -1.542 1.261 1.026) 2.240 6.128 ( 1.542 1.261 1.026) 2.240 6.203 ( -1.959 1.767 -4.074) 4.853 6.203 ( 1.959 1.767 -4.074) 4.853 6.362 ( -2.756 2.508 0.568) 3.769 6.362 ( 2.756 2.508 0.568) 3.769 6.451 ( -4.518 5.476 -0.641) 7.128 6.451 ( 4.518 5.476 -0.641) 7.128 6.730 ( -9.224 -0.664 7.969) 12.208 6.730 ( 9.224 -0.664 7.969) 12.208 6.906 ( -10.619 -0.230 -11.275) 15.491 6.906 ( 10.619 -0.230 -11.275) 15.491 17.037 ( -4.742 -5.966 0.877) 7.671 17.037 ( 4.742 -5.966 0.877) 7.671 17.065 ( -7.148 -8.238 -1.824) 11.058 17.065 ( 7.148 -8.238 -1.824) 11.058 17.465 ( -3.766 8.735 14.344) 17.211 17.465 ( 3.766 8.735 14.344) 17.211 17.776 ( -2.851 12.273 -19.483) 23.202 17.776 ( 2.851 12.273 -19.483) 23.202 19.294 ( -1.043 -0.357 4.976) 5.096 19.294 ( 1.043 -0.357 4.976) 5.096 19.314 ( -0.018 -0.065 -0.148) 0.163 19.314 ( 0.018 -0.065 -0.148) 0.163 19.378 ( -0.967 0.003 1.467) 1.757 19.378 ( 0.967 0.003 1.467) 1.757 19.385 ( -0.336 0.202 0.054) 0.395 19.385 ( 0.336 0.202 0.054) 0.395 19.492 ( -8.469 -3.132 24.121) 25.756 19.492 ( 8.469 -3.132 24.121) 25.756 19.761 ( -1.308 -0.794 -2.344) 2.799 19.761 ( 1.308 -0.794 -2.344) 2.799 19.785 ( -0.469 0.336 0.002) 0.577 19.785 ( 0.469 0.336 0.002) 0.577 19.788 ( -0.477 0.298 0.021) 0.563 19.788 ( 0.477 0.298 0.021) 0.563 19.823 ( -0.937 -0.226 2.654) 2.823 19.823 ( 0.937 -0.226 2.654) 2.823 20.105 ( -8.522 -1.924 -26.146) 27.567 20.105 ( 8.522 -1.924 -26.146) 27.567 37.384 ( -0.209 -0.323 0.420) 0.569 37.384 ( 0.209 -0.323 0.420) 0.569 37.393 ( -0.130 -0.059 -0.610) 0.627 37.393 ( 0.130 -0.059 -0.610) 0.627 37.435 ( -0.283 0.291 0.632) 0.751 37.435 ( 0.283 0.291 0.632) 0.751 37.442 ( -0.349 0.029 -0.117) 0.370 37.442 ( 0.349 0.029 -0.117) 0.370 59.833 ( -3.944 5.541 2.894) 7.391 59.833 ( 3.944 5.541 2.894) 7.391 59.886 ( -5.715 5.756 -2.645) 8.532 59.886 ( 5.715 5.756 -2.645) 8.532 60.656 ( -21.319 -7.184 13.924) 26.457 60.656 ( 21.319 -7.184 13.924) 26.457 60.878 ( -22.677 -6.985 -10.127) 25.799 60.878 ( 22.677 -6.985 -10.127) 25.799======================= Grid point 114 (28/30) =======================q-point: ( 0.33 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 55Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.516 ( 9.738 9.738 7.425) 15.646 1.560 ( 3.602 3.602 22.072) 22.652 1.643 ( 9.295 9.295 -6.310) 14.581 1.804 ( 2.049 2.049 13.068) 13.386 1.879 ( 2.424 2.424 -9.292) 9.904 1.959 ( -1.810 -1.810 0.836) 2.693 2.080 ( -0.047 -0.047 -2.327) 2.328 2.098 ( -4.126 -4.126 -1.945) 6.151 2.197 ( 6.446 6.446 0.473) 9.128 2.236 ( -0.517 -0.517 -3.231) 3.312 2.290 ( 0.510 0.510 5.557) 5.604 2.340 ( -0.941 -0.941 0.599) 1.460 2.383 ( -1.365 -1.365 0.534) 2.003 2.383 ( -1.431 -1.431 2.462) 3.187 2.451 ( 1.059 1.059 -3.164) 3.500 2.495 ( -0.184 -0.184 -1.951) 1.968 2.549 ( 0.217 0.217 -5.947) 5.955 2.571 ( 1.223 1.223 -6.184) 6.421 2.633 ( -0.071 -0.071 13.525) 13.526 2.725 ( -3.726 -3.726 1.721) 5.543 2.851 ( 4.087 4.087 9.876) 11.443 2.856 ( -0.307 -0.307 1.616) 1.673 2.954 ( 1.230 1.230 1.074) 2.045 2.954 ( 0.438 0.438 12.214) 12.230 2.973 ( 1.565 1.565 4.915) 5.390 2.975 ( 1.182 1.182 7.759) 7.937 3.003 ( 0.440 0.440 -6.150) 6.182 3.052 ( 1.549 1.549 11.472) 11.679 3.090 ( -0.030 -0.030 -1.379) 1.380 3.093 ( -2.554 -2.554 -3.621) 5.114 3.146 ( -3.477 -3.477 5.678) 7.511 3.163 ( 0.605 0.605 1.584) 1.800 3.259 ( -0.018 -0.018 -8.152) 8.152 3.267 ( 1.758 1.758 -5.620) 6.146 3.300 ( 0.004 0.004 -1.410) 1.410 3.318 ( 1.458 1.458 -3.335) 3.921 3.412 ( 0.991 0.991 -8.529) 8.643 3.424 ( -0.423 -0.423 -5.134) 5.169 3.442 ( 1.121 1.121 -1.867) 2.449 3.446 ( 2.510 2.510 7.067) 7.909 3.539 ( 1.902 1.902 -1.745) 3.206 3.567 ( 4.597 4.597 -9.796) 11.757 3.604 ( -0.211 -0.211 -4.125) 4.136 3.615 ( 0.947 0.947 -14.023) 14.087 3.694 ( -1.977 -1.977 0.279) 2.810 3.729 ( -0.365 -0.365 -2.722) 2.770 3.781 ( -2.122 -2.122 4.429) 5.350 3.833 ( -2.842 -2.842 7.190) 8.237 3.920 ( 1.933 1.933 -4.477) 5.246 3.980 ( -1.636 -1.636 -4.224) 4.816 3.981 ( 0.789 0.789 1.262) 1.685 4.053 ( -0.476 -0.476 -5.759) 5.798 4.099 ( -3.062 -3.062 -0.024) 4.330 4.148 ( -2.391 -2.391 -4.048) 5.274 4.196 ( -7.811 -7.811 3.693) 11.647 4.269 ( -3.710 -3.710 -2.036) 5.628 4.353 ( -0.347 -0.347 4.328) 4.356 4.382 ( -0.617 -0.617 1.960) 2.146 4.535 ( -3.763 -3.763 -0.621) 5.358 4.545 ( -0.132 -0.132 1.119) 1.134 4.615 ( -1.580 -1.580 -2.237) 3.162 4.635 ( 1.132 1.132 -2.227) 2.743 4.693 ( -1.298 -1.298 3.324) 3.798 4.733 ( -2.177 -2.177 -0.432) 3.109 4.884 ( 2.513 2.513 3.640) 5.087 4.885 ( 2.092 2.092 3.425) 4.525 4.898 ( 1.930 1.930 1.940) 3.348 4.925 ( 3.253 3.253 -0.374) 4.616 5.009 ( -0.633 -0.633 3.942) 4.042 5.045 ( 0.852 0.852 -0.202) 1.222 5.160 ( -3.876 -3.876 3.658) 6.591 5.172 ( 0.557 0.557 1.997) 2.147 5.205 ( -2.810 -2.810 0.302) 3.986 5.212 ( -0.692 -0.692 1.265) 1.599 5.269 ( -2.360 -2.360 0.120) 3.339 5.300 ( -2.666 -2.666 -4.554) 5.912 5.364 ( -1.171 -1.171 -1.298) 2.104 5.381 ( -2.824 -2.824 -1.378) 4.226 5.433 ( -1.207 -1.207 1.349) 2.175 5.477 ( -1.453 -1.453 -2.852) 3.515 5.642 ( 1.955 1.955 1.524) 3.157 5.663 ( 2.379 2.379 -0.855) 3.471 5.670 ( 0.403 0.403 3.558) 3.603 5.735 ( -0.235 -0.235 -2.849) 2.868 5.914 ( -4.019 -4.019 3.863) 6.872 5.938 ( -4.377 -4.377 2.867) 6.821 5.983 ( -2.719 -2.719 -1.171) 4.019 6.005 ( -3.970 -3.970 -2.630) 6.200 6.131 ( 3.828 3.828 0.976) 5.501 6.176 ( 2.372 2.372 -0.108) 3.357 6.194 ( 2.400 2.400 -3.299) 4.733 6.225 ( 1.658 1.658 -3.284) 4.035 6.387 ( 5.818 5.818 3.458) 8.925 6.440 ( 6.110 6.110 -2.226) 8.923 6.507 ( 3.389 3.389 6.046) 7.716 6.554 ( 2.448 2.448 0.753) 3.543 6.608 ( 1.813 1.813 1.688) 3.070 6.747 ( 5.759 5.759 -13.282) 15.581 6.820 ( -5.027 -5.027 9.150) 11.587 7.015 ( -5.230 -5.230 -12.493) 14.518 16.882 ( -0.126 -0.126 1.699) 1.709 16.920 ( 0.026 0.026 -2.487) 2.488 17.035 ( -5.425 -5.425 0.289) 7.678 17.054 ( -8.166 -8.166 -1.691) 11.671 17.518 ( 8.074 8.074 16.568) 20.122 17.588 ( 4.143 4.143 16.707) 17.704 17.876 ( 10.586 10.586 -22.428) 26.965 17.924 ( 7.386 7.386 -19.426) 22.057 19.264 ( 0.586 0.586 17.172) 17.192 19.299 ( -0.596 -0.596 2.883) 3.003 19.313 ( -0.087 -0.087 -0.158) 0.200 19.313 ( -0.097 -0.097 -0.175) 0.223 19.355 ( 1.019 1.019 8.418) 8.540 19.383 ( 0.301 0.301 -0.018) 0.427 19.387 ( -0.111 -0.111 0.770) 0.786 19.392 ( 0.050 0.050 -0.345) 0.352 19.401 ( -0.017 -0.017 7.214) 7.214 19.550 ( -7.892 -7.892 24.917) 27.303 19.732 ( 0.324 0.324 -5.571) 5.590 19.764 ( -0.980 -0.980 -1.838) 2.302 19.785 ( 0.419 0.419 0.041) 0.594 19.785 ( 0.419 0.419 0.041) 0.594 19.795 ( -0.067 -0.067 0.103) 0.140 19.796 ( -0.042 -0.042 0.002) 0.059 19.813 ( 0.149 0.149 1.738) 1.751 19.832 ( -1.171 -1.171 4.356) 4.660 20.006 ( 1.996 1.996 -24.298) 24.461 20.173 ( -6.591 -6.591 -26.576) 28.163 37.380 ( -0.174 -0.174 0.549) 0.602 37.381 ( -0.242 -0.242 0.522) 0.624 37.393 ( -0.064 -0.064 -0.712) 0.718 37.394 ( -0.118 -0.118 -0.739) 0.757 37.436 ( 0.329 0.329 0.201) 0.507 37.436 ( 0.279 0.279 0.121) 0.413 37.443 ( -0.041 -0.041 0.439) 0.443 37.445 ( -0.100 -0.100 0.224) 0.265 59.847 ( 5.685 5.685 2.142) 8.320 59.884 ( 7.081 7.081 -1.777) 10.171 60.044 ( 1.877 1.877 2.605) 3.719 60.097 ( 1.447 1.447 -2.919) 3.565 60.269 ( 4.724 4.724 13.008) 14.623 60.492 ( 5.657 5.657 -10.743) 13.394 60.798 ( -16.901 -16.901 15.427) 28.448 61.032 ( -16.983 -16.983 -10.223) 26.103======================= Grid point 115 (29/30) =======================q-point: (-0.50 0.33 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.603 ( -0.803 3.298 16.587) 16.931 1.603 ( 0.803 3.298 16.587) 16.931 1.810 ( -5.939 5.579 -3.228) 8.764 1.810 ( 5.939 5.579 -3.228) 8.765 1.894 ( -3.799 5.081 4.809) 7.961 1.894 ( 3.799 5.081 4.809) 7.961 2.048 ( -0.867 -5.039 -7.806) 9.331 2.048 ( 0.867 -5.039 -7.806) 9.331 2.243 ( -2.544 5.200 -0.618) 5.822 2.243 ( 2.544 5.200 -0.618) 5.822 2.334 ( -4.040 0.231 1.142) 4.204 2.334 ( 4.040 0.231 1.142) 4.204 2.350 ( -1.249 -1.875 4.851) 5.349 2.350 ( 1.249 -1.875 4.851) 5.349 2.485 ( -1.558 -0.530 -5.309) 5.558 2.485 ( 1.558 -0.530 -5.309) 5.558 2.615 ( -4.724 -1.653 -0.882) 5.082 2.615 ( 4.724 -1.653 -0.882) 5.082 2.646 ( -4.302 -2.482 -2.240) 5.448 2.646 ( 4.302 -2.482 -2.240) 5.448 2.861 ( -1.951 2.941 7.680) 8.452 2.861 ( 1.951 2.941 7.680) 8.452 2.967 ( -2.890 0.392 10.221) 10.629 2.967 ( 2.890 0.392 10.221) 10.629 2.996 ( -2.222 -2.340 -0.637) 3.289 2.996 ( 2.222 -2.340 -0.637) 3.289 3.019 ( -1.941 -2.043 6.553) 7.133 3.019 ( 1.941 -2.043 6.553) 7.133 3.080 ( -2.532 -1.388 4.421) 5.281 3.080 ( 2.532 -1.388 4.421) 5.281 3.150 ( -4.844 0.385 -2.143) 5.311 3.150 ( 4.844 0.385 -2.143) 5.311 3.283 ( -1.970 0.569 -7.269) 7.552 3.283 ( 1.970 0.569 -7.269) 7.552 3.320 ( -3.254 1.872 -7.591) 8.469 3.320 ( 3.254 1.872 -7.591) 8.469 3.392 ( -3.645 0.854 6.454) 7.461 3.392 ( 3.645 0.854 6.454) 7.461 3.463 ( -2.359 2.557 4.160) 5.423 3.463 ( 2.359 2.557 4.160) 5.423 3.570 ( -1.851 4.557 -5.969) 7.734 3.570 ( 1.851 4.557 -5.969) 7.734 3.636 ( -3.189 3.063 -4.680) 6.438 3.636 ( 3.189 3.063 -4.680) 6.438 3.681 ( -3.293 2.767 -3.456) 5.518 3.681 ( 3.293 2.767 -3.456) 5.518 3.770 ( -10.417 7.956 -11.546) 17.468 3.770 ( 10.417 7.956 -11.546) 17.468 3.994 ( -5.498 -7.576 7.152) 11.780 3.994 ( 5.498 -7.576 7.152) 11.780 4.025 ( -3.626 -3.751 1.570) 5.448 4.025 ( 3.626 -3.751 1.570) 5.448 4.077 ( -4.034 -4.388 -2.123) 6.327 4.077 ( 4.034 -4.388 -2.123) 6.327 4.155 ( -6.699 -5.215 -6.678) 10.801 4.155 ( 6.699 -5.215 -6.678) 10.801 4.390 ( -1.939 -0.387 6.190) 6.499 4.390 ( 1.939 -0.387 6.190) 6.499 4.497 ( -2.318 -2.278 -5.033) 5.991 4.497 ( 2.318 -2.278 -5.033) 5.991 4.637 ( -3.921 0.337 2.497) 4.661 4.637 ( 3.921 0.337 2.497) 4.661 4.685 ( -3.004 -1.990 -0.770) 3.685 4.685 ( 3.004 -1.990 -0.770) 3.685 4.905 ( -0.226 3.079 4.900) 5.792 4.905 ( 0.226 3.079 4.900) 5.792 4.940 ( -1.880 3.397 0.905) 3.986 4.940 ( 1.880 3.397 0.905) 3.986 5.058 ( -5.343 -1.792 3.340) 6.551 5.058 ( 5.343 -1.792 3.340) 6.551 5.100 ( -4.883 1.267 -1.399) 5.235 5.100 ( 4.883 1.267 -1.399) 5.235 5.205 ( -2.957 -0.590 3.935) 4.957 5.205 ( 2.957 -0.590 3.935) 4.957 5.281 ( -2.001 -2.384 -2.072) 3.739 5.281 ( 2.001 -2.384 -2.072) 3.739 5.357 ( -5.470 -4.250 -1.964) 7.200 5.357 ( 5.470 -4.250 -1.964) 7.200 5.432 ( -3.771 -6.743 -1.629) 7.895 5.432 ( 3.771 -6.743 -1.629) 7.895 5.642 ( -2.313 6.271 0.991) 6.757 5.642 ( 2.313 6.271 0.991) 6.757 5.756 ( -0.577 -1.773 -0.904) 2.072 5.756 ( 0.577 -1.773 -0.904) 2.072 5.868 ( -1.308 -4.173 4.552) 6.312 5.868 ( 1.308 -4.173 4.552) 6.312 5.949 ( -0.784 -3.229 -2.998) 4.475 5.949 ( 0.784 -3.229 -2.998) 4.475 6.178 ( -1.423 2.913 0.975) 3.385 6.178 ( 1.423 2.913 0.975) 3.385 6.234 ( -1.066 1.230 -3.438) 3.804 6.234 ( 1.066 1.230 -3.438) 3.804 6.473 ( -3.692 8.229 3.292) 9.601 6.473 ( 3.692 8.229 3.292) 9.601 6.556 ( -5.041 5.290 -0.592) 7.331 6.556 ( 5.041 5.290 -0.592) 7.331 6.699 ( -7.814 -2.886 7.190) 11.004 6.699 ( 7.814 -2.886 7.190) 11.004 6.889 ( -8.061 -1.568 -13.161) 15.514 6.889 ( 8.061 -1.568 -13.161) 15.514 16.927 ( -4.213 -5.078 0.957) 6.667 16.927 ( 4.213 -5.078 0.957) 6.667 16.955 ( -2.560 -3.509 -2.091) 4.821 16.955 ( 2.560 -3.509 -2.091) 4.821 17.613 ( -1.885 6.352 18.274) 19.438 17.613 ( 1.885 6.352 18.274) 19.438 17.987 ( -1.142 9.237 -22.209) 24.080 17.987 ( 1.142 9.237 -22.209) 24.080 19.283 ( -1.169 -0.752 8.955) 9.062 19.283 ( 1.169 -0.752 8.955) 9.062 19.312 ( -0.007 -0.084 -0.166) 0.186 19.312 ( 0.007 -0.084 -0.166) 0.186 19.380 ( -0.900 0.214 3.923) 4.031 19.380 ( 0.900 0.214 3.923) 4.031 19.388 ( -0.281 0.151 0.672) 0.744 19.388 ( 0.281 0.151 0.672) 0.744 19.429 ( -4.138 -3.102 18.545) 19.253 19.429 ( 4.138 -3.102 18.545) 19.253 19.745 ( -0.994 -0.771 -3.776) 3.980 19.745 ( 0.994 -0.771 -3.776) 3.980 19.792 ( -0.258 0.248 0.089) 0.369 19.792 ( 0.258 0.248 0.089) 0.369 19.793 ( -0.278 0.240 0.050) 0.371 19.793 ( 0.278 0.240 0.050) 0.371 19.818 ( -0.463 -0.243 2.275) 2.334 19.818 ( 0.463 -0.243 2.275) 2.334 20.066 ( -4.654 -1.861 -26.138) 26.614 20.066 ( 4.654 -1.861 -26.138) 26.614 37.379 ( -0.058 -0.217 0.649) 0.686 37.379 ( 0.058 -0.217 0.649) 0.686 37.392 ( -0.054 -0.033 -0.859) 0.861 37.392 ( 0.054 -0.033 -0.859) 0.861 37.440 ( -0.055 0.199 0.370) 0.424 37.440 ( 0.055 0.199 0.370) 0.424 37.442 ( -0.125 -0.016 0.138) 0.187 37.442 ( 0.125 -0.016 0.138) 0.187 59.968 ( -6.777 8.433 3.293) 11.309 59.968 ( 6.777 8.433 3.293) 11.309 60.025 ( -7.280 8.339 -2.728) 11.401 60.025 ( 7.280 8.339 -2.728) 11.401 60.488 ( -15.743 -10.002 13.603) 23.085 60.488 ( 15.743 -10.002 13.603) 23.085 60.715 ( -16.247 -9.472 -10.825) 21.699 60.715 ( 16.247 -9.472 -10.825) 21.699======================= Grid point 125 (30/30) =======================q-point: (-0.50 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 26Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 0.000 0.000 19.179) 19.179 1.635 ( 0.000 0.000 19.179) 19.179 1.900 ( -0.000 -0.000 5.502) 5.502 1.900 ( 0.000 0.000 5.502) 5.502 1.941 ( 0.000 0.000 -14.312) 14.312 1.941 ( 0.000 0.000 -14.312) 14.312 1.966 ( -0.000 -0.000 -2.317) 2.317 1.966 ( 0.000 0.000 -2.317) 2.317 2.310 ( 0.000 0.000 3.776) 3.776 2.310 ( 0.000 0.000 3.776) 3.776 2.324 ( -0.000 -0.000 1.155) 1.155 2.324 ( 0.000 0.000 1.155) 1.155 2.328 ( -0.000 -0.000 7.618) 7.618 2.328 ( 0.000 0.000 7.618) 7.618 2.493 ( 0.000 0.000 -9.427) 9.427 2.493 ( 0.000 0.000 -9.427) 9.427 2.599 ( 0.000 0.000 -0.576) 0.576 2.599 ( 0.000 0.000 -0.576) 0.576 2.628 ( 0.000 0.000 -5.171) 5.171 2.628 ( 0.000 0.000 -5.171) 5.171 2.898 ( 0.000 0.000 4.825) 4.825 2.898 ( 0.000 0.000 4.825) 4.825 2.971 ( -0.000 -0.000 6.190) 6.190 2.971 ( 0.000 0.000 6.191) 6.191 2.973 ( -0.000 -0.000 -2.298) 2.298 2.973 ( 0.000 0.000 -2.298) 2.298 2.984 ( -0.000 -0.000 11.777) 11.777 2.984 ( 0.000 0.000 11.777) 11.777 3.043 ( 0.000 0.000 9.664) 9.664 3.043 ( 0.000 0.000 9.664) 9.664 3.178 ( 0.000 0.000 -5.097) 5.097 3.178 ( 0.000 0.000 -5.097) 5.097 3.269 ( -0.000 -0.000 -10.396) 10.396 3.269 ( 0.000 0.000 -10.396) 10.396 3.357 ( 0.000 0.000 -13.272) 13.272 3.357 ( 0.000 0.000 -13.272) 13.272 3.367 ( 0.000 0.000 9.879) 9.879 3.367 ( -0.000 -0.000 9.879) 9.879 3.525 ( 0.000 0.000 10.523) 10.523 3.525 ( 0.000 0.000 10.523) 10.523 3.603 ( 0.000 0.000 -11.950) 11.950 3.603 ( 0.000 0.000 -11.950) 11.950 3.689 ( 0.000 0.000 -5.245) 5.245 3.689 ( 0.000 0.000 -5.245) 5.245 3.767 ( -0.000 -0.000 10.295) 10.295 3.767 ( 0.000 0.000 10.295) 10.295 3.802 ( 0.000 0.000 3.921) 3.921 3.802 ( 0.000 0.000 3.921) 3.921 3.930 ( -0.000 -0.000 -7.184) 7.184 3.930 ( 0.000 0.000 -7.184) 7.184 3.977 ( 0.000 0.000 -14.978) 14.978 3.977 ( 0.000 0.000 -14.978) 14.978 4.004 ( -0.000 -0.000 4.087) 4.087 4.004 ( 0.000 0.000 4.087) 4.087 4.090 ( -0.000 -0.000 -4.376) 4.376 4.090 ( 0.000 0.000 -4.376) 4.376 4.394 ( -0.000 -0.000 5.093) 5.093 4.394 ( -0.000 -0.000 5.093) 5.093 4.480 ( 0.000 0.000 -3.764) 3.764 4.480 ( 0.000 0.000 -3.764) 3.764 4.638 ( 0.000 0.000 1.612) 1.612 4.638 ( 0.000 0.000 1.612) 1.612 4.658 ( 0.000 0.000 0.178) 0.178 4.658 ( 0.000 0.000 0.178) 0.178 4.944 ( 0.000 0.000 5.545) 5.545 4.944 ( 0.000 0.000 5.545) 5.545 4.988 ( 0.000 0.000 -0.002) 0.002 4.988 ( 0.000 0.000 -0.002) 0.002 5.022 ( -0.000 -0.000 8.123) 8.123 5.022 ( 0.000 0.000 8.123) 8.123 5.126 ( 0.000 0.000 -2.930) 2.930 5.126 ( 0.000 0.000 -2.930) 2.930 5.203 ( 0.000 0.000 2.355) 2.355 5.203 ( 0.000 0.000 2.355) 2.355 5.273 ( 0.000 0.000 -4.823) 4.823 5.273 ( 0.000 0.000 -4.823) 4.823 5.301 ( -0.000 -0.000 1.763) 1.763 5.301 ( 0.000 0.000 1.763) 1.763 5.348 ( -0.000 -0.000 -3.227) 3.227 5.348 ( 0.000 0.000 -3.227) 3.227 5.726 ( 0.000 0.000 0.925) 0.925 5.726 ( 0.000 0.000 0.925) 0.925 5.751 ( -0.000 -0.000 -1.680) 1.680 5.751 ( 0.000 0.000 -1.680) 1.680 5.803 ( -0.000 -0.000 6.280) 6.280 5.803 ( 0.000 0.000 6.280) 6.280 5.902 ( 0.000 0.000 -4.038) 4.038 5.902 ( 0.000 0.000 -4.038) 4.038 6.205 ( 0.000 0.000 1.030) 1.030 6.205 ( 0.000 0.000 1.030) 1.030 6.248 ( 0.000 0.000 -3.416) 3.416 6.248 ( 0.000 0.000 -3.416) 3.416 6.596 ( -0.000 -0.000 2.158) 2.158 6.596 ( 0.000 0.000 2.158) 2.158 6.622 ( -0.000 -0.000 11.127) 11.127 6.622 ( 0.000 0.000 11.127) 11.127 6.625 ( 0.000 0.000 -0.908) 0.908 6.625 ( 0.000 0.000 -0.908) 0.908 6.867 ( -0.000 -0.000 -15.527) 15.527 6.867 ( 0.000 0.000 -15.527) 15.527 16.879 ( 0.000 0.000 1.885) 1.885 16.879 ( 0.000 0.000 1.885) 1.885 16.923 ( 0.000 0.000 -2.989) 2.989 16.923 ( 0.000 0.000 -2.989) 2.989 17.674 ( 0.000 0.000 19.922) 19.922 17.674 ( 0.000 0.000 19.922) 19.922 18.078 ( 0.000 0.000 -23.624) 23.624 18.078 ( 0.000 0.000 -23.624) 23.624 19.273 ( 0.000 0.000 12.994) 12.994 19.273 ( 0.000 0.000 12.994) 12.994 19.311 ( 0.000 0.000 -0.166) 0.166 19.311 ( 0.000 0.000 -0.166) 0.166 19.387 ( 0.000 0.000 0.309) 0.309 19.387 ( 0.000 0.000 0.309) 0.309 19.388 ( 0.000 0.000 20.435) 20.435 19.388 ( 0.000 0.000 20.435) 20.435 19.395 ( -0.000 -0.000 -0.643) 0.643 19.395 ( 0.000 0.000 -0.643) 0.643 19.737 ( 0.000 0.000 -4.696) 4.696 19.737 ( 0.000 0.000 -4.696) 4.696 19.794 ( 0.000 0.000 0.162) 0.162 19.794 ( 0.000 0.000 0.162) 0.162 19.795 ( 0.000 0.000 -0.052) 0.052 19.795 ( 0.000 0.000 -0.052) 0.052 19.816 ( 0.000 0.000 2.188) 2.188 19.816 ( 0.000 0.000 2.188) 2.188 20.048 ( 0.000 0.000 -25.985) 25.985 20.048 ( 0.000 0.000 -25.985) 25.985 37.376 ( 0.000 0.000 0.735) 0.735 37.376 ( 0.000 0.000 0.735) 0.735 37.392 ( 0.000 0.000 -0.963) 0.963 37.392 ( 0.000 0.000 -0.963) 0.963 37.442 ( 0.000 0.000 0.282) 0.282 37.442 ( 0.000 0.000 0.282) 0.282 37.442 ( 0.000 0.000 0.234) 0.234 37.442 ( 0.000 0.000 0.234) 0.234 60.079 ( -0.000 -0.000 2.618) 2.618 60.079 ( 0.000 0.000 2.618) 2.618 60.125 ( 0.000 0.000 -2.359) 2.359 60.125 ( 0.000 0.000 -2.359) 2.359 60.361 ( 0.000 0.000 14.395) 14.395 60.361 ( 0.000 0.000 14.395) 14.395 60.604 ( 0.000 0.000 -11.663) 11.663 60.604 ( 0.000 0.000 -11.663) 11.663=================== 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 3/25920 10.0 186.710 186.710 238.288 -0.000 -0.000 0.000 3/25920 20.0 34.417 34.417 50.334 0.000 -0.000 0.000 3/25920 30.0 12.718 12.718 19.354 0.000 -0.000 0.000 3/25920 40.0 6.641 6.641 10.417 0.000 0.000 0.000 3/25920 50.0 4.228 4.228 6.785 0.000 0.000 0.000 3/25920 60.0 3.040 3.040 4.955 0.000 0.000 0.000 3/25920 70.0 2.361 2.361 3.890 0.000 0.000 0.000 3/25920 80.0 1.931 1.931 3.204 0.000 0.000 0.000 3/25920 90.0 1.637 1.637 2.728 0.000 0.000 0.000 3/25920 100.0 1.422 1.422 2.380 0.000 0.000 0.000 3/25920 110.0 1.260 1.260 2.114 0.000 0.000 0.000 3/25920 120.0 1.133 1.133 1.905 0.000 0.000 0.000 3/25920 130.0 1.030 1.030 1.736 0.000 0.000 0.000 3/25920 140.0 0.945 0.945 1.597 0.000 0.000 0.000 3/25920 150.0 0.873 0.873 1.480 0.000 0.000 0.000 3/25920 160.0 0.812 0.812 1.381 0.000 0.000 0.000 3/25920 170.0 0.760 0.760 1.295 0.000 0.000 0.000 3/25920 180.0 0.714 0.714 1.220 0.000 0.000 0.000 3/25920 190.0 0.674 0.674 1.154 0.000 0.000 0.000 3/25920 200.0 0.638 0.638 1.095 0.000 0.000 0.000 3/25920 210.0 0.605 0.605 1.043 0.000 0.000 0.000 3/25920 220.0 0.577 0.577 0.996 0.000 0.000 0.000 3/25920 230.0 0.550 0.550 0.953 0.000 0.000 0.000 3/25920 240.0 0.527 0.527 0.914 0.000 0.000 0.000 3/25920 250.0 0.505 0.505 0.878 0.000 0.000 0.000 3/25920 260.0 0.485 0.485 0.846 0.000 0.000 0.000 3/25920 270.0 0.467 0.467 0.815 0.000 0.000 0.000 3/25920 280.0 0.450 0.450 0.787 0.000 0.000 0.000 3/25920 290.0 0.434 0.434 0.761 0.000 0.000 0.000 3/25920 300.0 0.420 0.420 0.737 0.000 0.000 0.000 3/25920 310.0 0.406 0.406 0.715 0.000 0.000 0.000 3/25920 320.0 0.394 0.394 0.693 0.000 0.000 0.000 3/25920 330.0 0.383 0.383 0.674 0.000 0.000 0.000 3/25920 340.0 0.372 0.372 0.655 0.000 0.000 0.000 3/25920 350.0 0.362 0.362 0.638 0.000 0.000 0.000 3/25920 360.0 0.353 0.353 0.621 0.000 0.000 0.000 3/25920 370.0 0.344 0.344 0.606 0.000 0.000 0.000 3/25920 380.0 0.336 0.336 0.591 0.000 0.000 0.000 3/25920 390.0 0.328 0.328 0.577 0.000 0.000 0.000 3/25920 400.0 0.321 0.321 0.564 0.000 0.000 0.000 3/25920 410.0 0.315 0.315 0.552 0.000 0.000 0.000 3/25920 420.0 0.309 0.309 0.540 0.000 0.000 0.000 3/25920 430.0 0.303 0.303 0.529 0.000 0.000 0.000 3/25920 440.0 0.298 0.298 0.518 0.000 0.000 0.000 3/25920 450.0 0.293 0.293 0.508 0.000 0.000 0.000 3/25920 460.0 0.288 0.288 0.498 0.000 0.000 0.000 3/25920 470.0 0.284 0.284 0.489 0.000 0.000 0.000 3/25920 480.0 0.280 0.280 0.481 0.000 0.000 0.000 3/25920 490.0 0.277 0.277 0.472 0.000 0.000 0.000 3/25920 500.0 0.273 0.273 0.464 0.000 0.000 0.000 3/25920 510.0 0.270 0.270 0.457 0.000 0.000 0.000 3/25920 520.0 0.267 0.267 0.450 0.000 0.000 0.000 3/25920 530.0 0.264 0.264 0.443 0.000 0.000 0.000 3/25920 540.0 0.261 0.261 0.436 0.000 0.000 0.000 3/25920 550.0 0.259 0.259 0.430 0.000 0.000 0.000 3/25920 560.0 0.257 0.257 0.424 0.000 0.000 0.000 3/25920 570.0 0.255 0.255 0.418 0.000 0.000 0.000 3/25920 580.0 0.253 0.253 0.412 0.000 0.000 0.000 3/25920 590.0 0.251 0.251 0.407 0.000 0.000 0.000 3/25920 600.0 0.249 0.249 0.402 0.000 0.000 0.000 3/25920 610.0 0.248 0.248 0.397 0.000 0.000 0.000 3/25920 620.0 0.246 0.246 0.392 0.000 0.000 0.000 3/25920 630.0 0.245 0.245 0.388 0.000 0.000 0.000 3/25920 640.0 0.243 0.243 0.383 0.000 0.000 0.000 3/25920 650.0 0.242 0.242 0.379 0.000 0.000 0.000 3/25920 660.0 0.241 0.241 0.375 0.000 0.000 0.000 3/25920 670.0 0.240 0.240 0.371 0.000 0.000 0.000 3/25920 680.0 0.239 0.239 0.367 0.000 0.000 0.000 3/25920 690.0 0.238 0.238 0.363 0.000 0.000 0.000 3/25920 700.0 0.237 0.237 0.360 0.000 0.000 0.000 3/25920 710.0 0.236 0.236 0.356 0.000 0.000 0.000 3/25920 720.0 0.235 0.235 0.353 0.000 0.000 0.000 3/25920 730.0 0.234 0.234 0.349 0.000 0.000 0.000 3/25920 740.0 0.233 0.233 0.346 0.000 0.000 0.000 3/25920 750.0 0.233 0.233 0.343 0.000 0.000 0.000 3/25920 760.0 0.232 0.232 0.340 0.000 0.000 0.000 3/25920 770.0 0.231 0.231 0.337 0.000 0.000 0.000 3/25920 780.0 0.231 0.231 0.334 0.000 0.000 0.000 3/25920 790.0 0.230 0.230 0.331 0.000 0.000 0.000 3/25920 800.0 0.229 0.229 0.329 0.000 0.000 0.000 3/25920 810.0 0.229 0.229 0.326 0.000 0.000 0.000 3/25920 820.0 0.228 0.228 0.323 0.000 0.000 0.000 3/25920 830.0 0.228 0.228 0.321 0.000 0.000 0.000 3/25920 840.0 0.227 0.227 0.318 0.000 0.000 0.000 3/25920 850.0 0.227 0.227 0.316 0.000 0.000 0.000 3/25920 860.0 0.226 0.226 0.314 0.000 0.000 0.000 3/25920 870.0 0.226 0.226 0.311 0.000 0.000 0.000 3/25920 880.0 0.225 0.225 0.309 0.000 0.000 0.000 3/25920 890.0 0.225 0.225 0.307 0.000 0.000 0.000 3/25920 900.0 0.224 0.224 0.305 0.000 0.000 0.000 3/25920 910.0 0.224 0.224 0.303 0.000 0.000 0.000 3/25920 920.0 0.223 0.223 0.301 0.000 0.000 0.000 3/25920 930.0 0.223 0.223 0.299 0.000 0.000 0.000 3/25920 940.0 0.222 0.222 0.297 0.000 0.000 0.000 3/25920 950.0 0.222 0.222 0.295 0.000 0.000 0.000 3/25920 960.0 0.221 0.221 0.293 0.000 0.000 0.000 3/25920 970.0 0.221 0.221 0.291 0.000 0.000 0.000 3/25920 980.0 0.220 0.220 0.289 0.000 0.000 0.000 3/25920 990.0 0.220 0.220 0.287 0.000 0.000 0.000 3/25920 1000.0 0.219 0.219 0.285 0.000 0.000 0.000 3/25920Thermal conductivity related properties were written into "kappa-m665.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 03:30:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|