# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/152bc102-7eb7-488c-86e5-bd0d1b4684ef/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 K5(AsPb)3 / Pnma (62) / materials id 646920](https://mdr.nims.go.jp/datasets/bde2de50-cc07-4c87-a8e1-a3492f54953b) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:18:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 19.510338820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.068825040000004 0.000000000000000 c 0.000000000000000 0.000000000000000 6.575646250000000Atomic positions (fractional): *1 K 0.32099997452651 0.04664798432377 0.77011888291662 39.098 *2 K 0.88055265084710 0.25000000000000 0.26266916952558 39.098 *3 K 0.60290925161334 0.25000000000000 0.45237523598165 39.098 4 K 0.61944734915290 0.75000000000000 0.76266916952558 39.098 5 K 0.38055265084710 0.25000000000000 0.23733083047442 39.098 6 K 0.39709074838666 0.75000000000000 0.54762476401835 39.098 7 K 0.17900002547350 0.95335201567623 0.27011888291662 39.098 8 K 0.10290925161334 0.25000000000000 0.04762476401835 39.098 9 K 0.32099997452651 0.45335201567623 0.77011888291662 39.098 10 K 0.82099997452650 0.45335201567623 0.72988111708338 39.098 11 K 0.17900002547350 0.54664798432377 0.27011888291662 39.098 12 K 0.82099997452650 0.04664798432377 0.72988111708338 39.098 *13 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 14 K 0.67900002547350 0.95335201567623 0.22988111708338 39.098 15 K 0.67900002547350 0.54664798432377 0.22988111708338 39.098 16 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 17 K 0.89709074838666 0.75000000000000 0.95237523598165 39.098 18 K 0.11944734915290 0.75000000000000 0.73733083047442 39.098 19 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 20 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 *21 As 0.45581977266915 0.25000000000000 0.73975130946791 74.922 22 As 0.95581977266915 0.25000000000000 0.76024869053209 74.922 *23 As 0.84729558832959 0.94798753443057 0.23668213882446 74.922 24 As 0.15270441167041 0.44798753443056 0.76331786117554 74.922 25 As 0.34729558832959 0.55201246556943 0.26331786117554 74.922 26 As 0.65270441167041 0.05201246556943 0.73668213882446 74.922 27 As 0.65270441167041 0.44798753443056 0.73668213882446 74.922 28 As 0.84729558832959 0.55201246556943 0.23668213882446 74.922 29 As 0.54418022733085 0.75000000000000 0.26024869053209 74.922 30 As 0.34729558832959 0.94798753443057 0.26331786117554 74.922 31 As 0.15270441167041 0.05201246556943 0.76331786117554 74.922 32 As 0.04418022733085 0.75000000000000 0.23975130946791 74.922 *33 Pb 0.54370450439425 0.38320922316434 0.97838669050440 207.200 34 Pb 0.45629549560575 0.61679077683566 0.02161330949560 207.200 *35 Pb 0.69305192112893 0.25000000000000 0.94101707465961 207.200 36 Pb 0.19305192112893 0.25000000000000 0.55898292534039 207.200 37 Pb 0.54370450439425 0.11679077683566 0.97838669050440 207.200 38 Pb 0.30694807887107 0.75000000000000 0.05898292534039 207.200 39 Pb 0.45629549560575 0.88320922316434 0.02161330949560 207.200 40 Pb 0.04370450439425 0.38320922316434 0.52161330949560 207.200 41 Pb 0.95629549560575 0.88320922316434 0.47838669050440 207.200 42 Pb 0.95629549560575 0.61679077683566 0.47838669050440 207.200 43 Pb 0.04370450439425 0.11679077683566 0.52161330949560 207.200 44 Pb 0.80694807887107 0.75000000000000 0.44101707465961 207.200-------------------------------- unit cell ---------------------------------Lattice vectors: a 19.510338820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.068825040000004 0.000000000000000 c 0.000000000000000 0.000000000000000 6.575646250000000Atomic positions (fractional): *1 K 0.32099997452651 0.04664798432377 0.77011888291662 39.098 > 1 *2 K 0.88055265084710 0.25000000000000 0.26266916952558 39.098 > 2 *3 K 0.60290925161334 0.25000000000000 0.45237523598165 39.098 > 3 4 K 0.61944734915290 0.75000000000000 0.76266916952558 39.098 > 4 5 K 0.38055265084710 0.25000000000000 0.23733083047442 39.098 > 5 6 K 0.39709074838666 0.75000000000000 0.54762476401835 39.098 > 6 7 K 0.17900002547350 0.95335201567623 0.27011888291662 39.098 > 7 8 K 0.10290925161334 0.25000000000000 0.04762476401835 39.098 > 8 9 K 0.32099997452651 0.45335201567623 0.77011888291662 39.098 > 9 10 K 0.82099997452650 0.45335201567623 0.72988111708338 39.098 > 10 11 K 0.17900002547350 0.54664798432377 0.27011888291662 39.098 > 11 12 K 0.82099997452650 0.04664798432377 0.72988111708338 39.098 > 12 *13 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 13 14 K 0.67900002547350 0.95335201567623 0.22988111708338 39.098 > 14 15 K 0.67900002547350 0.54664798432377 0.22988111708338 39.098 > 15 16 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 16 17 K 0.89709074838666 0.75000000000000 0.95237523598165 39.098 > 17 18 K 0.11944734915290 0.75000000000000 0.73733083047442 39.098 > 18 19 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 > 19 20 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 20 *21 As 0.45581977266915 0.25000000000000 0.73975130946791 74.922 > 21 22 As 0.95581977266915 0.25000000000000 0.76024869053209 74.922 > 22 *23 As 0.84729558832959 0.94798753443057 0.23668213882446 74.922 > 23 24 As 0.15270441167041 0.44798753443056 0.76331786117554 74.922 > 24 25 As 0.34729558832959 0.55201246556943 0.26331786117554 74.922 > 25 26 As 0.65270441167041 0.05201246556943 0.73668213882446 74.922 > 26 27 As 0.65270441167041 0.44798753443056 0.73668213882446 74.922 > 27 28 As 0.84729558832959 0.55201246556943 0.23668213882446 74.922 > 28 29 As 0.54418022733085 0.75000000000000 0.26024869053209 74.922 > 29 30 As 0.34729558832959 0.94798753443057 0.26331786117554 74.922 > 30 31 As 0.15270441167041 0.05201246556943 0.76331786117554 74.922 > 31 32 As 0.04418022733085 0.75000000000000 0.23975130946791 74.922 > 32 *33 Pb 0.54370450439425 0.38320922316434 0.97838669050440 207.200 > 33 34 Pb 0.45629549560575 0.61679077683566 0.02161330949560 207.200 > 34 *35 Pb 0.69305192112893 0.25000000000000 0.94101707465961 207.200 > 35 36 Pb 0.19305192112893 0.25000000000000 0.55898292534039 207.200 > 36 37 Pb 0.54370450439425 0.11679077683566 0.97838669050440 207.200 > 37 38 Pb 0.30694807887107 0.75000000000000 0.05898292534039 207.200 > 38 39 Pb 0.45629549560575 0.88320922316434 0.02161330949560 207.200 > 39 40 Pb 0.04370450439425 0.38320922316434 0.52161330949560 207.200 > 40 41 Pb 0.95629549560575 0.88320922316434 0.47838669050440 207.200 > 41 42 Pb 0.95629549560575 0.61679077683566 0.47838669050440 207.200 > 42 43 Pb 0.04370450439425 0.11679077683566 0.52161330949560 207.200 > 43 44 Pb 0.80694807887107 0.75000000000000 0.44101707465961 207.200 > 44-------------------------------- super cell --------------------------------Lattice vectors: a 19.510338820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.068825040000004 0.000000000000000 c 0.000000000000000 0.000000000000000 13.151292500000000Atomic positions (fractional): *1 K 0.32099997452651 0.04664798432377 0.38505944145831 39.098 > 1 2 K 0.32099997452651 0.04664798432377 0.88505944145831 39.098 > 1 *3 K 0.88055265084710 0.25000000000000 0.13133458476279 39.098 > 2 4 K 0.88055265084710 0.25000000000000 0.63133458476279 39.098 > 2 *5 K 0.60290925161334 0.25000000000000 0.22618761799082 39.098 > 3 6 K 0.60290925161334 0.25000000000000 0.72618761799082 39.098 > 3 7 K 0.61944734915290 0.75000000000000 0.38133458476279 39.098 > 4 8 K 0.61944734915290 0.75000000000000 0.88133458476279 39.098 > 4 9 K 0.38055265084710 0.25000000000000 0.11866541523721 39.098 > 5 10 K 0.38055265084710 0.25000000000000 0.61866541523721 39.098 > 5 11 K 0.39709074838666 0.75000000000000 0.27381238200918 39.098 > 6 12 K 0.39709074838666 0.75000000000000 0.77381238200918 39.098 > 6 13 K 0.17900002547350 0.95335201567623 0.13505944145831 39.098 > 7 14 K 0.17900002547350 0.95335201567623 0.63505944145831 39.098 > 7 15 K 0.10290925161334 0.25000000000000 0.02381238200918 39.098 > 8 16 K 0.10290925161334 0.25000000000000 0.52381238200918 39.098 > 8 17 K 0.32099997452651 0.45335201567623 0.38505944145831 39.098 > 9 18 K 0.32099997452651 0.45335201567623 0.88505944145831 39.098 > 9 19 K 0.82099997452650 0.45335201567623 0.36494055854169 39.098 > 10 20 K 0.82099997452650 0.45335201567623 0.86494055854169 39.098 > 10 21 K 0.17900002547350 0.54664798432377 0.13505944145831 39.098 > 11 22 K 0.17900002547350 0.54664798432377 0.63505944145831 39.098 > 11 23 K 0.82099997452650 0.04664798432377 0.36494055854169 39.098 > 12 24 K 0.82099997452650 0.04664798432377 0.86494055854169 39.098 > 12 *25 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 13 26 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 13 27 K 0.67900002547350 0.95335201567623 0.11494055854169 39.098 > 14 28 K 0.67900002547350 0.95335201567623 0.61494055854169 39.098 > 14 29 K 0.67900002547350 0.54664798432377 0.11494055854169 39.098 > 15 30 K 0.67900002547350 0.54664798432377 0.61494055854169 39.098 > 15 31 K 0.50000000000000 0.50000000000000 0.25000000000000 39.098 > 16 32 K 0.50000000000000 0.50000000000000 0.75000000000000 39.098 > 16 33 K 0.89709074838666 0.75000000000000 0.47618761799082 39.098 > 17 34 K 0.89709074838666 0.75000000000000 0.97618761799082 39.098 > 17 35 K 0.11944734915290 0.75000000000000 0.36866541523721 39.098 > 18 36 K 0.11944734915290 0.75000000000000 0.86866541523721 39.098 > 18 37 K 0.50000000000000 0.00000000000000 0.25000000000000 39.098 > 19 38 K 0.50000000000000 0.00000000000000 0.75000000000000 39.098 > 19 39 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 20 40 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 20 *41 As 0.45581977266915 0.25000000000000 0.36987565473395 74.922 > 21 42 As 0.45581977266915 0.25000000000000 0.86987565473395 74.922 > 21 43 As 0.95581977266915 0.25000000000000 0.38012434526605 74.922 > 22 44 As 0.95581977266915 0.25000000000000 0.88012434526605 74.922 > 22 *45 As 0.84729558832959 0.94798753443057 0.11834106941223 74.922 > 23 46 As 0.84729558832959 0.94798753443057 0.61834106941223 74.922 > 23 47 As 0.15270441167041 0.44798753443056 0.38165893058777 74.922 > 24 48 As 0.15270441167041 0.44798753443056 0.88165893058777 74.922 > 24 49 As 0.34729558832959 0.55201246556943 0.13165893058777 74.922 > 25 50 As 0.34729558832959 0.55201246556943 0.63165893058777 74.922 > 25 51 As 0.65270441167041 0.05201246556943 0.36834106941223 74.922 > 26 52 As 0.65270441167041 0.05201246556943 0.86834106941223 74.922 > 26 53 As 0.65270441167041 0.44798753443056 0.36834106941223 74.922 > 27 54 As 0.65270441167041 0.44798753443056 0.86834106941223 74.922 > 27 55 As 0.84729558832959 0.55201246556943 0.11834106941223 74.922 > 28 56 As 0.84729558832959 0.55201246556943 0.61834106941223 74.922 > 28 57 As 0.54418022733085 0.75000000000000 0.13012434526605 74.922 > 29 58 As 0.54418022733085 0.75000000000000 0.63012434526605 74.922 > 29 59 As 0.34729558832959 0.94798753443057 0.13165893058777 74.922 > 30 60 As 0.34729558832959 0.94798753443057 0.63165893058777 74.922 > 30 61 As 0.15270441167041 0.05201246556943 0.38165893058777 74.922 > 31 62 As 0.15270441167041 0.05201246556943 0.88165893058777 74.922 > 31 63 As 0.04418022733085 0.75000000000000 0.11987565473395 74.922 > 32 64 As 0.04418022733085 0.75000000000000 0.61987565473395 74.922 > 32 *65 Pb 0.54370450439425 0.38320922316434 0.48919334525220 207.200 > 33 66 Pb 0.54370450439425 0.38320922316434 0.98919334525220 207.200 > 33 67 Pb 0.45629549560575 0.61679077683566 0.01080665474780 207.200 > 34 68 Pb 0.45629549560575 0.61679077683566 0.51080665474780 207.200 > 34 *69 Pb 0.69305192112893 0.25000000000000 0.47050853732980 207.200 > 35 70 Pb 0.69305192112893 0.25000000000000 0.97050853732980 207.200 > 35 71 Pb 0.19305192112893 0.25000000000000 0.27949146267020 207.200 > 36 72 Pb 0.19305192112893 0.25000000000000 0.77949146267020 207.200 > 36 73 Pb 0.54370450439425 0.11679077683566 0.48919334525220 207.200 > 37 74 Pb 0.54370450439425 0.11679077683566 0.98919334525220 207.200 > 37 75 Pb 0.30694807887107 0.75000000000000 0.02949146267020 207.200 > 38 76 Pb 0.30694807887107 0.75000000000000 0.52949146267020 207.200 > 38 77 Pb 0.45629549560575 0.88320922316434 0.01080665474780 207.200 > 39 78 Pb 0.45629549560575 0.88320922316434 0.51080665474780 207.200 > 39 79 Pb 0.04370450439425 0.38320922316434 0.26080665474780 207.200 > 40 80 Pb 0.04370450439425 0.38320922316434 0.76080665474780 207.200 > 40 81 Pb 0.95629549560575 0.88320922316434 0.23919334525220 207.200 > 41 82 Pb 0.95629549560575 0.88320922316434 0.73919334525220 207.200 > 41 83 Pb 0.95629549560575 0.61679077683566 0.23919334525220 207.200 > 42 84 Pb 0.95629549560575 0.61679077683566 0.73919334525220 207.200 > 42 85 Pb 0.04370450439425 0.11679077683566 0.26080665474780 207.200 > 43 86 Pb 0.04370450439425 0.11679077683566 0.76080665474780 207.200 > 43 87 Pb 0.80694807887107 0.75000000000000 0.22050853732980 207.200 > 44 88 Pb 0.80694807887107 0.75000000000000 0.72050853732980 207.200 > 44----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.9569724 0.0000000 0.0000000 0.0000000 12.6115455 0.0000000 0.0000000 0.0000000 6.7895507-------------------------- Born effective charges -------------------------- 1 K 1.6971172 -0.4864356 0.2184192 -0.4774872 1.2198820 -0.1792431 0.3438163 -0.1917346 1.0618512 2 K 1.5202029 0.0000000 0.2984895 0.0000000 1.7658697 0.0000000 0.2518151 0.0000000 1.2597901 3 K 0.1950767 0.0000000 -0.0216316 0.0000000 0.3673253 0.0000000 -0.0161598 0.0000000 1.1707909 4 K 1.5202029 0.0000000 -0.2984895 0.0000000 1.7658697 0.0000000 -0.2518151 0.0000000 1.2597901 5 K 1.5202029 0.0000000 -0.2984895 0.0000000 1.7658697 0.0000000 -0.2518151 0.0000000 1.2597901 6 K 0.1950767 0.0000000 -0.0216316 0.0000000 0.3673253 0.0000000 -0.0161598 0.0000000 1.1707909 7 K 1.6971172 -0.4864356 -0.2184192 -0.4774872 1.2198820 0.1792431 -0.3438163 0.1917346 1.0618512 8 K 0.1950767 0.0000000 0.0216316 0.0000000 0.3673253 0.0000000 0.0161598 0.0000000 1.1707909 9 K 1.6971172 0.4864356 0.2184192 0.4774872 1.2198820 0.1792431 0.3438163 0.1917346 1.0618512 10 K 1.6971172 0.4864356 -0.2184192 0.4774872 1.2198820 -0.1792431 -0.3438163 -0.1917346 1.0618512 11 K 1.6971172 0.4864356 -0.2184192 0.4774872 1.2198820 -0.1792431 -0.3438163 -0.1917346 1.0618512 12 K 1.6971172 -0.4864356 -0.2184192 -0.4774872 1.2198820 0.1792431 -0.3438163 0.1917346 1.0618512 13 K 0.4937488 -0.3344439 -0.1055896 -0.6066344 1.2451348 0.3933667 -0.0865214 0.1749462 1.4422411 14 K 1.6971172 -0.4864356 0.2184192 -0.4774872 1.2198820 -0.1792431 0.3438163 -0.1917346 1.0618512 15 K 1.6971172 0.4864356 0.2184192 0.4774872 1.2198820 0.1792431 0.3438163 0.1917346 1.0618512 16 K 0.4937488 -0.3344439 0.1055896 -0.6066344 1.2451348 -0.3933667 0.0865214 -0.1749462 1.4422411 17 K 0.1950767 0.0000000 0.0216316 0.0000000 0.3673253 0.0000000 0.0161598 0.0000000 1.1707909 18 K 1.5202029 0.0000000 0.2984895 0.0000000 1.7658697 0.0000000 0.2518151 0.0000000 1.2597901 19 K 0.4937488 0.3344439 0.1055896 0.6066344 1.2451348 0.3933667 0.0865214 0.1749462 1.4422411 20 K 0.4937488 0.3344439 -0.1055896 0.6066344 1.2451348 -0.3933667 -0.0865214 -0.1749462 1.4422411 21 As -2.4366604 0.0000000 -1.1200983 0.0000000 -2.2711257 0.0000000 -0.6080458 0.0000000 -1.9354131 22 As -2.4366604 0.0000000 1.1200983 0.0000000 -2.2711257 0.0000000 0.6080458 0.0000000 -1.9354131 23 As -1.9071780 0.7965575 -0.6316590 0.1721008 -3.1163040 1.2613022 -0.0279634 0.4281222 -1.5947706 24 As -1.9071780 -0.7965575 -0.6316590 -0.1721008 -3.1163040 -1.2613022 -0.0279634 -0.4281222 -1.5947706 25 As -1.9071780 -0.7965575 0.6316590 -0.1721008 -3.1163040 1.2613022 0.0279634 0.4281222 -1.5947706 26 As -1.9071780 0.7965575 0.6316590 0.1721008 -3.1163040 -1.2613022 0.0279634 -0.4281222 -1.5947706 27 As -1.9071780 -0.7965575 0.6316590 -0.1721008 -3.1163040 1.2613022 0.0279634 0.4281222 -1.5947706 28 As -1.9071780 -0.7965575 -0.6316590 -0.1721008 -3.1163040 -1.2613022 -0.0279634 -0.4281222 -1.5947706 29 As -2.4366604 0.0000000 -1.1200983 0.0000000 -2.2711257 0.0000000 -0.6080458 0.0000000 -1.9354131 30 As -1.9071780 0.7965575 0.6316590 0.1721008 -3.1163040 -1.2613022 0.0279634 -0.4281222 -1.5947706 31 As -1.9071780 0.7965575 -0.6316590 0.1721008 -3.1163040 1.2613022 -0.0279634 0.4281222 -1.5947706 32 As -2.4366604 0.0000000 1.1200983 0.0000000 -2.2711257 0.0000000 0.6080458 0.0000000 -1.9354131 33 Pb 0.8447989 -0.0240812 -0.0168390 -0.8225259 1.1619655 0.4978296 0.0521902 0.2133305 -0.2852578 34 Pb 0.8447989 -0.0240812 -0.0168390 -0.8225259 1.1619655 0.4978296 0.0521902 0.2133305 -0.2852578 35 Pb -1.0418442 0.0000000 -0.4274048 0.0000000 0.3617091 0.0000000 0.1187573 0.0000000 -0.3010547 36 Pb -1.0418442 0.0000000 0.4274048 0.0000000 0.3617091 0.0000000 -0.1187573 0.0000000 -0.3010547 37 Pb 0.8447989 0.0240812 -0.0168390 0.8225259 1.1619655 -0.4978296 0.0521902 -0.2133305 -0.2852578 38 Pb -1.0418442 0.0000000 -0.4274048 0.0000000 0.3617091 0.0000000 0.1187573 0.0000000 -0.3010547 39 Pb 0.8447989 0.0240812 -0.0168390 0.8225259 1.1619655 -0.4978296 0.0521902 -0.2133305 -0.2852578 40 Pb 0.8447989 -0.0240812 0.0168390 -0.8225259 1.1619655 -0.4978296 -0.0521902 -0.2133305 -0.2852578 41 Pb 0.8447989 0.0240812 0.0168390 0.8225259 1.1619655 0.4978296 -0.0521902 0.2133305 -0.2852578 42 Pb 0.8447989 -0.0240812 0.0168390 -0.8225259 1.1619655 -0.4978296 -0.0521902 -0.2133305 -0.2852578 43 Pb 0.8447989 0.0240812 0.0168390 0.8225259 1.1619655 0.4978296 -0.0521902 0.2133305 -0.2852578 44 Pb -1.0418442 0.0000000 0.4274048 0.0000000 0.3617091 0.0000000 -0.1187573 0.0000000 -0.3010547----------------------------------------------------------------------------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: 264/264Permutation basis: 17556/17556Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2318Number of blocks in projector: 2318Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 550Use submatrix version of eigh solver.(1) Block: 550 / 550 (2) Block: 250 / 550 (2) 234 eigenvectors found. (2) Block: 500 / 550 (2) 234 eigenvectors found. (2) Block: 550 / 550 (2) 41 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 534 eigenvectors found.(1) Complementary block size: 16(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 422Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 422Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 308Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 308Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 308Use standard eigh solver.Tree of FC basis block matrices:- (2318, 2262), data: False|-- (308, 300), data: True|-- (308, 300), data: True|-- (308, 300), data: True|-- (422, 414), data: True|-- (422, 414), data: True|-- (550, 534), data: False |-- (550, 534), data: False |-- (550, 25), data: (550, 41) @ (41, 25) |-- (50, 41), data: True |-- (250, 234), data: True |-- (250, 234), data: True-----Solver_atoms: 1 -- 88 / 88Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 720 - Time: 0.564Solver_block: 200 / 720 - Time: 0.480Solver_block: 300 / 720 - Time: 0.480Solver_block: 400 / 720 - Time: 0.481Solver_block: 500 / 720 - Time: 0.475Solver_block: 600 / 720 - Time: 0.480Solver_block: 700 / 720 - Time: 0.481Solver_block: 720 / 720 - Time: 0.200Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.727--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264Permutation basis: 17556/17556Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2318Number of blocks in projector: 2318Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 550Use submatrix version of eigh solver.(1) Block: 550 / 550 (2) Block: 250 / 550 (2) 234 eigenvectors found. (2) Block: 500 / 550 (2) 234 eigenvectors found. (2) Block: 550 / 550 (2) 41 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found.(1) 534 eigenvectors found.(1) Complementary block size: 16(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 422Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 422Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 308Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 308Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 308Use standard eigh solver.Tree of FC basis block matrices:- (2318, 2262), data: False|-- (308, 300), data: True|-- (308, 300), data: True|-- (308, 300), data: True|-- (422, 414), data: True|-- (422, 414), data: True|-- (550, 534), data: False |-- (550, 534), data: False |-- (550, 25), data: (550, 41) @ (41, 25) |-- (50, 41), data: True |-- (250, 234), data: True |-- (250, 234), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:18:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:18:47]-------------------------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 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 19.510338820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.068825040000004 0.000000000000000 c 0.000000000000000 0.000000000000000 6.575646250000000Atomic positions (fractional): 1 K 0.32099997452651 0.04664798432377 0.77011888291662 39.098 2 K 0.88055265084710 0.25000000000000 0.26266916952558 39.098 3 K 0.60290925161334 0.25000000000000 0.45237523598165 39.098 4 K 0.61944734915290 0.75000000000000 0.76266916952558 39.098 5 K 0.38055265084710 0.25000000000000 0.23733083047442 39.098 6 K 0.39709074838666 0.75000000000000 0.54762476401835 39.098 7 K 0.17900002547350 0.95335201567623 0.27011888291662 39.098 8 K 0.10290925161334 0.25000000000000 0.04762476401835 39.098 9 K 0.32099997452651 0.45335201567623 0.77011888291662 39.098 10 K 0.82099997452650 0.45335201567623 0.72988111708338 39.098 11 K 0.17900002547350 0.54664798432377 0.27011888291662 39.098 12 K 0.82099997452650 0.04664798432377 0.72988111708338 39.098 13 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 14 K 0.67900002547350 0.95335201567623 0.22988111708338 39.098 15 K 0.67900002547350 0.54664798432377 0.22988111708338 39.098 16 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 17 K 0.89709074838666 0.75000000000000 0.95237523598165 39.098 18 K 0.11944734915290 0.75000000000000 0.73733083047442 39.098 19 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 20 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 21 As 0.45581977266915 0.25000000000000 0.73975130946791 74.922 22 As 0.95581977266915 0.25000000000000 0.76024869053209 74.922 23 As 0.84729558832959 0.94798753443057 0.23668213882446 74.922 24 As 0.15270441167041 0.44798753443056 0.76331786117554 74.922 25 As 0.34729558832959 0.55201246556943 0.26331786117554 74.922 26 As 0.65270441167041 0.05201246556943 0.73668213882446 74.922 27 As 0.65270441167041 0.44798753443056 0.73668213882446 74.922 28 As 0.84729558832959 0.55201246556943 0.23668213882446 74.922 29 As 0.54418022733085 0.75000000000000 0.26024869053209 74.922 30 As 0.34729558832959 0.94798753443057 0.26331786117554 74.922 31 As 0.15270441167041 0.05201246556943 0.76331786117554 74.922 32 As 0.04418022733085 0.75000000000000 0.23975130946791 74.922 33 Pb 0.54370450439425 0.38320922316434 0.97838669050440 207.200 34 Pb 0.45629549560575 0.61679077683566 0.02161330949560 207.200 35 Pb 0.69305192112893 0.25000000000000 0.94101707465961 207.200 36 Pb 0.19305192112893 0.25000000000000 0.55898292534039 207.200 37 Pb 0.54370450439425 0.11679077683566 0.97838669050440 207.200 38 Pb 0.30694807887107 0.75000000000000 0.05898292534039 207.200 39 Pb 0.45629549560575 0.88320922316434 0.02161330949560 207.200 40 Pb 0.04370450439425 0.38320922316434 0.52161330949560 207.200 41 Pb 0.95629549560575 0.88320922316434 0.47838669050440 207.200 42 Pb 0.95629549560575 0.61679077683566 0.47838669050440 207.200 43 Pb 0.04370450439425 0.11679077683566 0.52161330949560 207.200 44 Pb 0.80694807887107 0.75000000000000 0.44101707465961 207.200-------------------------------- supercell ---------------------------------Lattice vectors: a 19.510338820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.068825040000004 0.000000000000000 c 0.000000000000000 0.000000000000000 13.151292500000000Atomic positions (fractional): 1 K 0.32099997452651 0.04664798432377 0.38505944145831 39.098 > 1 2 K 0.32099997452651 0.04664798432377 0.88505944145831 39.098 > 1 3 K 0.88055265084710 0.25000000000000 0.13133458476279 39.098 > 3 4 K 0.88055265084710 0.25000000000000 0.63133458476279 39.098 > 3 5 K 0.60290925161334 0.25000000000000 0.22618761799082 39.098 > 5 6 K 0.60290925161334 0.25000000000000 0.72618761799082 39.098 > 5 7 K 0.61944734915290 0.75000000000000 0.38133458476279 39.098 > 7 8 K 0.61944734915290 0.75000000000000 0.88133458476279 39.098 > 7 9 K 0.38055265084710 0.25000000000000 0.11866541523721 39.098 > 9 10 K 0.38055265084710 0.25000000000000 0.61866541523721 39.098 > 9 11 K 0.39709074838666 0.75000000000000 0.27381238200918 39.098 > 11 12 K 0.39709074838666 0.75000000000000 0.77381238200918 39.098 > 11 13 K 0.17900002547350 0.95335201567623 0.13505944145831 39.098 > 13 14 K 0.17900002547350 0.95335201567623 0.63505944145831 39.098 > 13 15 K 0.10290925161334 0.25000000000000 0.02381238200918 39.098 > 15 16 K 0.10290925161334 0.25000000000000 0.52381238200918 39.098 > 15 17 K 0.32099997452651 0.45335201567623 0.38505944145831 39.098 > 17 18 K 0.32099997452651 0.45335201567623 0.88505944145831 39.098 > 17 19 K 0.82099997452650 0.45335201567623 0.36494055854169 39.098 > 19 20 K 0.82099997452650 0.45335201567623 0.86494055854169 39.098 > 19 21 K 0.17900002547350 0.54664798432377 0.13505944145831 39.098 > 21 22 K 0.17900002547350 0.54664798432377 0.63505944145831 39.098 > 21 23 K 0.82099997452650 0.04664798432377 0.36494055854169 39.098 > 23 24 K 0.82099997452650 0.04664798432377 0.86494055854169 39.098 > 23 25 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 25 26 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 25 27 K 0.67900002547350 0.95335201567623 0.11494055854169 39.098 > 27 28 K 0.67900002547350 0.95335201567623 0.61494055854169 39.098 > 27 29 K 0.67900002547350 0.54664798432377 0.11494055854169 39.098 > 29 30 K 0.67900002547350 0.54664798432377 0.61494055854169 39.098 > 29 31 K 0.50000000000000 0.50000000000000 0.25000000000000 39.098 > 31 32 K 0.50000000000000 0.50000000000000 0.75000000000000 39.098 > 31 33 K 0.89709074838666 0.75000000000000 0.47618761799082 39.098 > 33 34 K 0.89709074838666 0.75000000000000 0.97618761799082 39.098 > 33 35 K 0.11944734915290 0.75000000000000 0.36866541523721 39.098 > 35 36 K 0.11944734915290 0.75000000000000 0.86866541523721 39.098 > 35 37 K 0.50000000000000 0.00000000000000 0.25000000000000 39.098 > 37 38 K 0.50000000000000 0.00000000000000 0.75000000000000 39.098 > 37 39 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 39 40 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 39 41 As 0.45581977266915 0.25000000000000 0.36987565473395 74.922 > 41 42 As 0.45581977266915 0.25000000000000 0.86987565473395 74.922 > 41 43 As 0.95581977266915 0.25000000000000 0.38012434526605 74.922 > 43 44 As 0.95581977266915 0.25000000000000 0.88012434526605 74.922 > 43 45 As 0.84729558832959 0.94798753443057 0.11834106941223 74.922 > 45 46 As 0.84729558832959 0.94798753443057 0.61834106941223 74.922 > 45 47 As 0.15270441167041 0.44798753443056 0.38165893058777 74.922 > 47 48 As 0.15270441167041 0.44798753443056 0.88165893058777 74.922 > 47 49 As 0.34729558832959 0.55201246556943 0.13165893058777 74.922 > 49 50 As 0.34729558832959 0.55201246556943 0.63165893058777 74.922 > 49 51 As 0.65270441167041 0.05201246556943 0.36834106941223 74.922 > 51 52 As 0.65270441167041 0.05201246556943 0.86834106941223 74.922 > 51 53 As 0.65270441167041 0.44798753443056 0.36834106941223 74.922 > 53 54 As 0.65270441167041 0.44798753443056 0.86834106941223 74.922 > 53 55 As 0.84729558832959 0.55201246556943 0.11834106941223 74.922 > 55 56 As 0.84729558832959 0.55201246556943 0.61834106941223 74.922 > 55 57 As 0.54418022733085 0.75000000000000 0.13012434526605 74.922 > 57 58 As 0.54418022733085 0.75000000000000 0.63012434526605 74.922 > 57 59 As 0.34729558832959 0.94798753443057 0.13165893058777 74.922 > 59 60 As 0.34729558832959 0.94798753443057 0.63165893058777 74.922 > 59 61 As 0.15270441167041 0.05201246556943 0.38165893058777 74.922 > 61 62 As 0.15270441167041 0.05201246556943 0.88165893058777 74.922 > 61 63 As 0.04418022733085 0.75000000000000 0.11987565473395 74.922 > 63 64 As 0.04418022733085 0.75000000000000 0.61987565473395 74.922 > 63 65 Pb 0.54370450439425 0.38320922316434 0.48919334525220 207.200 > 65 66 Pb 0.54370450439425 0.38320922316434 0.98919334525220 207.200 > 65 67 Pb 0.45629549560575 0.61679077683566 0.01080665474780 207.200 > 67 68 Pb 0.45629549560575 0.61679077683566 0.51080665474780 207.200 > 67 69 Pb 0.69305192112893 0.25000000000000 0.47050853732980 207.200 > 69 70 Pb 0.69305192112893 0.25000000000000 0.97050853732980 207.200 > 69 71 Pb 0.19305192112893 0.25000000000000 0.27949146267020 207.200 > 71 72 Pb 0.19305192112893 0.25000000000000 0.77949146267020 207.200 > 71 73 Pb 0.54370450439425 0.11679077683566 0.48919334525220 207.200 > 73 74 Pb 0.54370450439425 0.11679077683566 0.98919334525220 207.200 > 73 75 Pb 0.30694807887107 0.75000000000000 0.02949146267020 207.200 > 75 76 Pb 0.30694807887107 0.75000000000000 0.52949146267020 207.200 > 75 77 Pb 0.45629549560575 0.88320922316434 0.01080665474780 207.200 > 77 78 Pb 0.45629549560575 0.88320922316434 0.51080665474780 207.200 > 77 79 Pb 0.04370450439425 0.38320922316434 0.26080665474780 207.200 > 79 80 Pb 0.04370450439425 0.38320922316434 0.76080665474780 207.200 > 79 81 Pb 0.95629549560575 0.88320922316434 0.23919334525220 207.200 > 81 82 Pb 0.95629549560575 0.88320922316434 0.73919334525220 207.200 > 81 83 Pb 0.95629549560575 0.61679077683566 0.23919334525220 207.200 > 83 84 Pb 0.95629549560575 0.61679077683566 0.73919334525220 207.200 > 83 85 Pb 0.04370450439425 0.11679077683566 0.26080665474780 207.200 > 85 86 Pb 0.04370450439425 0.11679077683566 0.76080665474780 207.200 > 85 87 Pb 0.80694807887107 0.75000000000000 0.22050853732980 207.200 > 87 88 Pb 0.80694807887107 0.75000000000000 0.72050853732980 207.200 > 87----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 10.9569724 0.0000000 0.0000000 0.0000000 12.6115455 0.0000000 0.0000000 0.0000000 6.7895507-------------------------- Born effective charges -------------------------- 1 K 1.6971172 -0.4864356 0.2184192 -0.4774872 1.2198820 -0.1792431 0.3438163 -0.1917346 1.0618512 2 K 1.5202029 0.0000000 0.2984895 0.0000000 1.7658697 0.0000000 0.2518151 0.0000000 1.2597901 3 K 0.1950767 0.0000000 -0.0216316 0.0000000 0.3673253 0.0000000 -0.0161598 0.0000000 1.1707909 4 K 1.5202029 0.0000000 -0.2984895 0.0000000 1.7658697 0.0000000 -0.2518151 0.0000000 1.2597901 5 K 1.5202029 0.0000000 -0.2984895 0.0000000 1.7658697 0.0000000 -0.2518151 0.0000000 1.2597901 6 K 0.1950767 0.0000000 -0.0216316 0.0000000 0.3673253 0.0000000 -0.0161598 0.0000000 1.1707909 7 K 1.6971172 -0.4864356 -0.2184192 -0.4774872 1.2198820 0.1792431 -0.3438163 0.1917346 1.0618512 8 K 0.1950767 0.0000000 0.0216316 0.0000000 0.3673253 0.0000000 0.0161598 0.0000000 1.1707909 9 K 1.6971172 0.4864356 0.2184192 0.4774872 1.2198820 0.1792431 0.3438163 0.1917346 1.0618512 10 K 1.6971172 0.4864356 -0.2184192 0.4774872 1.2198820 -0.1792431 -0.3438163 -0.1917346 1.0618512 11 K 1.6971172 0.4864356 -0.2184192 0.4774872 1.2198820 -0.1792431 -0.3438163 -0.1917346 1.0618512 12 K 1.6971172 -0.4864356 -0.2184192 -0.4774872 1.2198820 0.1792431 -0.3438163 0.1917346 1.0618512 13 K 0.4937488 -0.3344439 -0.1055896 -0.6066344 1.2451348 0.3933667 -0.0865214 0.1749462 1.4422411 14 K 1.6971172 -0.4864356 0.2184192 -0.4774872 1.2198820 -0.1792431 0.3438163 -0.1917346 1.0618512 15 K 1.6971172 0.4864356 0.2184192 0.4774872 1.2198820 0.1792431 0.3438163 0.1917346 1.0618512 16 K 0.4937488 -0.3344439 0.1055896 -0.6066344 1.2451348 -0.3933667 0.0865214 -0.1749462 1.4422411 17 K 0.1950767 0.0000000 0.0216316 0.0000000 0.3673253 0.0000000 0.0161598 0.0000000 1.1707909 18 K 1.5202029 0.0000000 0.2984895 0.0000000 1.7658697 0.0000000 0.2518151 0.0000000 1.2597901 19 K 0.4937488 0.3344439 0.1055896 0.6066344 1.2451348 0.3933667 0.0865214 0.1749462 1.4422411 20 K 0.4937488 0.3344439 -0.1055896 0.6066344 1.2451348 -0.3933667 -0.0865214 -0.1749462 1.4422411 21 As -2.4366604 0.0000000 -1.1200983 0.0000000 -2.2711257 0.0000000 -0.6080458 0.0000000 -1.9354131 22 As -2.4366604 0.0000000 1.1200983 0.0000000 -2.2711257 0.0000000 0.6080458 0.0000000 -1.9354131 23 As -1.9071780 0.7965575 -0.6316590 0.1721008 -3.1163040 1.2613022 -0.0279634 0.4281222 -1.5947706 24 As -1.9071780 -0.7965575 -0.6316590 -0.1721008 -3.1163040 -1.2613022 -0.0279634 -0.4281222 -1.5947706 25 As -1.9071780 -0.7965575 0.6316590 -0.1721008 -3.1163040 1.2613022 0.0279634 0.4281222 -1.5947706 26 As -1.9071780 0.7965575 0.6316590 0.1721008 -3.1163040 -1.2613022 0.0279634 -0.4281222 -1.5947706 27 As -1.9071780 -0.7965575 0.6316590 -0.1721008 -3.1163040 1.2613022 0.0279634 0.4281222 -1.5947706 28 As -1.9071780 -0.7965575 -0.6316590 -0.1721008 -3.1163040 -1.2613022 -0.0279634 -0.4281222 -1.5947706 29 As -2.4366604 0.0000000 -1.1200983 0.0000000 -2.2711257 0.0000000 -0.6080458 0.0000000 -1.9354131 30 As -1.9071780 0.7965575 0.6316590 0.1721008 -3.1163040 -1.2613022 0.0279634 -0.4281222 -1.5947706 31 As -1.9071780 0.7965575 -0.6316590 0.1721008 -3.1163040 1.2613022 -0.0279634 0.4281222 -1.5947706 32 As -2.4366604 0.0000000 1.1200983 0.0000000 -2.2711257 0.0000000 0.6080458 0.0000000 -1.9354131 33 Pb 0.8447989 -0.0240812 -0.0168390 -0.8225259 1.1619655 0.4978296 0.0521902 0.2133305 -0.2852578 34 Pb 0.8447989 -0.0240812 -0.0168390 -0.8225259 1.1619655 0.4978296 0.0521902 0.2133305 -0.2852578 35 Pb -1.0418442 0.0000000 -0.4274048 0.0000000 0.3617091 0.0000000 0.1187573 0.0000000 -0.3010547 36 Pb -1.0418442 0.0000000 0.4274048 0.0000000 0.3617091 0.0000000 -0.1187573 0.0000000 -0.3010547 37 Pb 0.8447989 0.0240812 -0.0168390 0.8225259 1.1619655 -0.4978296 0.0521902 -0.2133305 -0.2852578 38 Pb -1.0418442 0.0000000 -0.4274048 0.0000000 0.3617091 0.0000000 0.1187573 0.0000000 -0.3010547 39 Pb 0.8447989 0.0240812 -0.0168390 0.8225259 1.1619655 -0.4978296 0.0521902 -0.2133305 -0.2852578 40 Pb 0.8447989 -0.0240812 0.0168390 -0.8225259 1.1619655 -0.4978296 -0.0521902 -0.2133305 -0.2852578 41 Pb 0.8447989 0.0240812 0.0168390 0.8225259 1.1619655 0.4978296 -0.0521902 0.2133305 -0.2852578 42 Pb 0.8447989 -0.0240812 0.0168390 -0.8225259 1.1619655 -0.4978296 -0.0521902 -0.2133305 -0.2852578 43 Pb 0.8447989 0.0240812 0.0168390 0.8225259 1.1619655 0.4978296 -0.0521902 0.2133305 -0.2852578 44 Pb -1.0418442 0.0000000 0.4274048 0.0000000 0.3617091 0.0000000 -0.1187573 0.0000000 -0.3010547----------------------------------------------------------------------------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[ 3, 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 41, 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[ 45, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 69, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:19:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:19:12]-------------------------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 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnma (62)------------------------------ primitive cell ------------------------------Lattice vectors: a 19.510338820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.068825040000004 0.000000000000000 c 0.000000000000000 0.000000000000000 6.575646250000000Atomic positions (fractional): 1 K 0.32099997452651 0.04664798432377 0.77011888291662 39.098 2 K 0.88055265084710 0.25000000000000 0.26266916952558 39.098 3 K 0.60290925161334 0.25000000000000 0.45237523598165 39.098 4 K 0.61944734915290 0.75000000000000 0.76266916952558 39.098 5 K 0.38055265084710 0.25000000000000 0.23733083047442 39.098 6 K 0.39709074838666 0.75000000000000 0.54762476401835 39.098 7 K 0.17900002547350 0.95335201567623 0.27011888291662 39.098 8 K 0.10290925161334 0.25000000000000 0.04762476401835 39.098 9 K 0.32099997452651 0.45335201567623 0.77011888291662 39.098 10 K 0.82099997452650 0.45335201567623 0.72988111708338 39.098 11 K 0.17900002547350 0.54664798432377 0.27011888291662 39.098 12 K 0.82099997452650 0.04664798432377 0.72988111708338 39.098 13 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 14 K 0.67900002547350 0.95335201567623 0.22988111708338 39.098 15 K 0.67900002547350 0.54664798432377 0.22988111708338 39.098 16 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 17 K 0.89709074838666 0.75000000000000 0.95237523598165 39.098 18 K 0.11944734915290 0.75000000000000 0.73733083047442 39.098 19 K 0.50000000000000 0.00000000000000 0.50000000000000 39.098 20 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 21 As 0.45581977266915 0.25000000000000 0.73975130946791 74.922 22 As 0.95581977266915 0.25000000000000 0.76024869053209 74.922 23 As 0.84729558832959 0.94798753443057 0.23668213882446 74.922 24 As 0.15270441167041 0.44798753443056 0.76331786117554 74.922 25 As 0.34729558832959 0.55201246556943 0.26331786117554 74.922 26 As 0.65270441167041 0.05201246556943 0.73668213882446 74.922 27 As 0.65270441167041 0.44798753443056 0.73668213882446 74.922 28 As 0.84729558832959 0.55201246556943 0.23668213882446 74.922 29 As 0.54418022733085 0.75000000000000 0.26024869053209 74.922 30 As 0.34729558832959 0.94798753443057 0.26331786117554 74.922 31 As 0.15270441167041 0.05201246556943 0.76331786117554 74.922 32 As 0.04418022733085 0.75000000000000 0.23975130946791 74.922 33 Pb 0.54370450439425 0.38320922316434 0.97838669050440 207.200 34 Pb 0.45629549560575 0.61679077683566 0.02161330949560 207.200 35 Pb 0.69305192112893 0.25000000000000 0.94101707465961 207.200 36 Pb 0.19305192112893 0.25000000000000 0.55898292534039 207.200 37 Pb 0.54370450439425 0.11679077683566 0.97838669050440 207.200 38 Pb 0.30694807887107 0.75000000000000 0.05898292534039 207.200 39 Pb 0.45629549560575 0.88320922316434 0.02161330949560 207.200 40 Pb 0.04370450439425 0.38320922316434 0.52161330949560 207.200 41 Pb 0.95629549560575 0.88320922316434 0.47838669050440 207.200 42 Pb 0.95629549560575 0.61679077683566 0.47838669050440 207.200 43 Pb 0.04370450439425 0.11679077683566 0.52161330949560 207.200 44 Pb 0.80694807887107 0.75000000000000 0.44101707465961 207.200-------------------------------- supercell ---------------------------------Lattice vectors: a 19.510338820000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.068825040000004 0.000000000000000 c 0.000000000000000 0.000000000000000 13.151292500000000Atomic positions (fractional): 1 K 0.32099997452651 0.04664798432377 0.38505944145831 39.098 > 1 2 K 0.32099997452651 0.04664798432377 0.88505944145831 39.098 > 1 3 K 0.88055265084710 0.25000000000000 0.13133458476279 39.098 > 3 4 K 0.88055265084710 0.25000000000000 0.63133458476279 39.098 > 3 5 K 0.60290925161334 0.25000000000000 0.22618761799082 39.098 > 5 6 K 0.60290925161334 0.25000000000000 0.72618761799082 39.098 > 5 7 K 0.61944734915290 0.75000000000000 0.38133458476279 39.098 > 7 8 K 0.61944734915290 0.75000000000000 0.88133458476279 39.098 > 7 9 K 0.38055265084710 0.25000000000000 0.11866541523721 39.098 > 9 10 K 0.38055265084710 0.25000000000000 0.61866541523721 39.098 > 9 11 K 0.39709074838666 0.75000000000000 0.27381238200918 39.098 > 11 12 K 0.39709074838666 0.75000000000000 0.77381238200918 39.098 > 11 13 K 0.17900002547350 0.95335201567623 0.13505944145831 39.098 > 13 14 K 0.17900002547350 0.95335201567623 0.63505944145831 39.098 > 13 15 K 0.10290925161334 0.25000000000000 0.02381238200918 39.098 > 15 16 K 0.10290925161334 0.25000000000000 0.52381238200918 39.098 > 15 17 K 0.32099997452651 0.45335201567623 0.38505944145831 39.098 > 17 18 K 0.32099997452651 0.45335201567623 0.88505944145831 39.098 > 17 19 K 0.82099997452650 0.45335201567623 0.36494055854169 39.098 > 19 20 K 0.82099997452650 0.45335201567623 0.86494055854169 39.098 > 19 21 K 0.17900002547350 0.54664798432377 0.13505944145831 39.098 > 21 22 K 0.17900002547350 0.54664798432377 0.63505944145831 39.098 > 21 23 K 0.82099997452650 0.04664798432377 0.36494055854169 39.098 > 23 24 K 0.82099997452650 0.04664798432377 0.86494055854169 39.098 > 23 25 K 0.00000000000000 0.50000000000000 0.00000000000000 39.098 > 25 26 K 0.00000000000000 0.50000000000000 0.50000000000000 39.098 > 25 27 K 0.67900002547350 0.95335201567623 0.11494055854169 39.098 > 27 28 K 0.67900002547350 0.95335201567623 0.61494055854169 39.098 > 27 29 K 0.67900002547350 0.54664798432377 0.11494055854169 39.098 > 29 30 K 0.67900002547350 0.54664798432377 0.61494055854169 39.098 > 29 31 K 0.50000000000000 0.50000000000000 0.25000000000000 39.098 > 31 32 K 0.50000000000000 0.50000000000000 0.75000000000000 39.098 > 31 33 K 0.89709074838666 0.75000000000000 0.47618761799082 39.098 > 33 34 K 0.89709074838666 0.75000000000000 0.97618761799082 39.098 > 33 35 K 0.11944734915290 0.75000000000000 0.36866541523721 39.098 > 35 36 K 0.11944734915290 0.75000000000000 0.86866541523721 39.098 > 35 37 K 0.50000000000000 0.00000000000000 0.25000000000000 39.098 > 37 38 K 0.50000000000000 0.00000000000000 0.75000000000000 39.098 > 37 39 K 0.00000000000000 0.00000000000000 0.00000000000000 39.098 > 39 40 K 0.00000000000000 0.00000000000000 0.50000000000000 39.098 > 39 41 As 0.45581977266915 0.25000000000000 0.36987565473395 74.922 > 41 42 As 0.45581977266915 0.25000000000000 0.86987565473395 74.922 > 41 43 As 0.95581977266915 0.25000000000000 0.38012434526605 74.922 > 43 44 As 0.95581977266915 0.25000000000000 0.88012434526605 74.922 > 43 45 As 0.84729558832959 0.94798753443057 0.11834106941223 74.922 > 45 46 As 0.84729558832959 0.94798753443057 0.61834106941223 74.922 > 45 47 As 0.15270441167041 0.44798753443056 0.38165893058777 74.922 > 47 48 As 0.15270441167041 0.44798753443056 0.88165893058777 74.922 > 47 49 As 0.34729558832959 0.55201246556943 0.13165893058777 74.922 > 49 50 As 0.34729558832959 0.55201246556943 0.63165893058777 74.922 > 49 51 As 0.65270441167041 0.05201246556943 0.36834106941223 74.922 > 51 52 As 0.65270441167041 0.05201246556943 0.86834106941223 74.922 > 51 53 As 0.65270441167041 0.44798753443056 0.36834106941223 74.922 > 53 54 As 0.65270441167041 0.44798753443056 0.86834106941223 74.922 > 53 55 As 0.84729558832959 0.55201246556943 0.11834106941223 74.922 > 55 56 As 0.84729558832959 0.55201246556943 0.61834106941223 74.922 > 55 57 As 0.54418022733085 0.75000000000000 0.13012434526605 74.922 > 57 58 As 0.54418022733085 0.75000000000000 0.63012434526605 74.922 > 57 59 As 0.34729558832959 0.94798753443057 0.13165893058777 74.922 > 59 60 As 0.34729558832959 0.94798753443057 0.63165893058777 74.922 > 59 61 As 0.15270441167041 0.05201246556943 0.38165893058777 74.922 > 61 62 As 0.15270441167041 0.05201246556943 0.88165893058777 74.922 > 61 63 As 0.04418022733085 0.75000000000000 0.11987565473395 74.922 > 63 64 As 0.04418022733085 0.75000000000000 0.61987565473395 74.922 > 63 65 Pb 0.54370450439425 0.38320922316434 0.48919334525220 207.200 > 65 66 Pb 0.54370450439425 0.38320922316434 0.98919334525220 207.200 > 65 67 Pb 0.45629549560575 0.61679077683566 0.01080665474780 207.200 > 67 68 Pb 0.45629549560575 0.61679077683566 0.51080665474780 207.200 > 67 69 Pb 0.69305192112893 0.25000000000000 0.47050853732980 207.200 > 69 70 Pb 0.69305192112893 0.25000000000000 0.97050853732980 207.200 > 69 71 Pb 0.19305192112893 0.25000000000000 0.27949146267020 207.200 > 71 72 Pb 0.19305192112893 0.25000000000000 0.77949146267020 207.200 > 71 73 Pb 0.54370450439425 0.11679077683566 0.48919334525220 207.200 > 73 74 Pb 0.54370450439425 0.11679077683566 0.98919334525220 207.200 > 73 75 Pb 0.30694807887107 0.75000000000000 0.02949146267020 207.200 > 75 76 Pb 0.30694807887107 0.75000000000000 0.52949146267020 207.200 > 75 77 Pb 0.45629549560575 0.88320922316434 0.01080665474780 207.200 > 77 78 Pb 0.45629549560575 0.88320922316434 0.51080665474780 207.200 > 77 79 Pb 0.04370450439425 0.38320922316434 0.26080665474780 207.200 > 79 80 Pb 0.04370450439425 0.38320922316434 0.76080665474780 207.200 > 79 81 Pb 0.95629549560575 0.88320922316434 0.23919334525220 207.200 > 81 82 Pb 0.95629549560575 0.88320922316434 0.73919334525220 207.200 > 81 83 Pb 0.95629549560575 0.61679077683566 0.23919334525220 207.200 > 83 84 Pb 0.95629549560575 0.61679077683566 0.73919334525220 207.200 > 83 85 Pb 0.04370450439425 0.11679077683566 0.26080665474780 207.200 > 85 86 Pb 0.04370450439425 0.11679077683566 0.76080665474780 207.200 > 85 87 Pb 0.80694807887107 0.75000000000000 0.22050853732980 207.200 > 87 88 Pb 0.80694807887107 0.75000000000000 0.72050853732980 207.200 > 87----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 10.9569724 0.0000000 0.0000000 0.0000000 12.6115455 0.0000000 0.0000000 0.0000000 6.7895507-------------------------- Born effective charges -------------------------- 1 K 1.6971172 -0.4864356 0.2184192 -0.4774872 1.2198820 -0.1792431 0.3438163 -0.1917346 1.0618512 2 K 1.5202029 0.0000000 0.2984895 0.0000000 1.7658697 0.0000000 0.2518151 0.0000000 1.2597901 3 K 0.1950767 0.0000000 -0.0216316 0.0000000 0.3673253 0.0000000 -0.0161598 0.0000000 1.1707909 4 K 1.5202029 0.0000000 -0.2984895 0.0000000 1.7658697 0.0000000 -0.2518151 0.0000000 1.2597901 5 K 1.5202029 0.0000000 -0.2984895 0.0000000 1.7658697 0.0000000 -0.2518151 0.0000000 1.2597901 6 K 0.1950767 0.0000000 -0.0216316 0.0000000 0.3673253 0.0000000 -0.0161598 0.0000000 1.1707909 7 K 1.6971172 -0.4864356 -0.2184192 -0.4774872 1.2198820 0.1792431 -0.3438163 0.1917346 1.0618512 8 K 0.1950767 0.0000000 0.0216316 0.0000000 0.3673253 0.0000000 0.0161598 0.0000000 1.1707909 9 K 1.6971172 0.4864356 0.2184192 0.4774872 1.2198820 0.1792431 0.3438163 0.1917346 1.0618512 10 K 1.6971172 0.4864356 -0.2184192 0.4774872 1.2198820 -0.1792431 -0.3438163 -0.1917346 1.0618512 11 K 1.6971172 0.4864356 -0.2184192 0.4774872 1.2198820 -0.1792431 -0.3438163 -0.1917346 1.0618512 12 K 1.6971172 -0.4864356 -0.2184192 -0.4774872 1.2198820 0.1792431 -0.3438163 0.1917346 1.0618512 13 K 0.4937488 -0.3344439 -0.1055896 -0.6066344 1.2451348 0.3933667 -0.0865214 0.1749462 1.4422411 14 K 1.6971172 -0.4864356 0.2184192 -0.4774872 1.2198820 -0.1792431 0.3438163 -0.1917346 1.0618512 15 K 1.6971172 0.4864356 0.2184192 0.4774872 1.2198820 0.1792431 0.3438163 0.1917346 1.0618512 16 K 0.4937488 -0.3344439 0.1055896 -0.6066344 1.2451348 -0.3933667 0.0865214 -0.1749462 1.4422411 17 K 0.1950767 0.0000000 0.0216316 0.0000000 0.3673253 0.0000000 0.0161598 0.0000000 1.1707909 18 K 1.5202029 0.0000000 0.2984895 0.0000000 1.7658697 0.0000000 0.2518151 0.0000000 1.2597901 19 K 0.4937488 0.3344439 0.1055896 0.6066344 1.2451348 0.3933667 0.0865214 0.1749462 1.4422411 20 K 0.4937488 0.3344439 -0.1055896 0.6066344 1.2451348 -0.3933667 -0.0865214 -0.1749462 1.4422411 21 As -2.4366604 0.0000000 -1.1200983 0.0000000 -2.2711257 0.0000000 -0.6080458 0.0000000 -1.9354131 22 As -2.4366604 0.0000000 1.1200983 0.0000000 -2.2711257 0.0000000 0.6080458 0.0000000 -1.9354131 23 As -1.9071780 0.7965575 -0.6316590 0.1721008 -3.1163040 1.2613022 -0.0279634 0.4281222 -1.5947706 24 As -1.9071780 -0.7965575 -0.6316590 -0.1721008 -3.1163040 -1.2613022 -0.0279634 -0.4281222 -1.5947706 25 As -1.9071780 -0.7965575 0.6316590 -0.1721008 -3.1163040 1.2613022 0.0279634 0.4281222 -1.5947706 26 As -1.9071780 0.7965575 0.6316590 0.1721008 -3.1163040 -1.2613022 0.0279634 -0.4281222 -1.5947706 27 As -1.9071780 -0.7965575 0.6316590 -0.1721008 -3.1163040 1.2613022 0.0279634 0.4281222 -1.5947706 28 As -1.9071780 -0.7965575 -0.6316590 -0.1721008 -3.1163040 -1.2613022 -0.0279634 -0.4281222 -1.5947706 29 As -2.4366604 0.0000000 -1.1200983 0.0000000 -2.2711257 0.0000000 -0.6080458 0.0000000 -1.9354131 30 As -1.9071780 0.7965575 0.6316590 0.1721008 -3.1163040 -1.2613022 0.0279634 -0.4281222 -1.5947706 31 As -1.9071780 0.7965575 -0.6316590 0.1721008 -3.1163040 1.2613022 -0.0279634 0.4281222 -1.5947706 32 As -2.4366604 0.0000000 1.1200983 0.0000000 -2.2711257 0.0000000 0.6080458 0.0000000 -1.9354131 33 Pb 0.8447989 -0.0240812 -0.0168390 -0.8225259 1.1619655 0.4978296 0.0521902 0.2133305 -0.2852578 34 Pb 0.8447989 -0.0240812 -0.0168390 -0.8225259 1.1619655 0.4978296 0.0521902 0.2133305 -0.2852578 35 Pb -1.0418442 0.0000000 -0.4274048 0.0000000 0.3617091 0.0000000 0.1187573 0.0000000 -0.3010547 36 Pb -1.0418442 0.0000000 0.4274048 0.0000000 0.3617091 0.0000000 -0.1187573 0.0000000 -0.3010547 37 Pb 0.8447989 0.0240812 -0.0168390 0.8225259 1.1619655 -0.4978296 0.0521902 -0.2133305 -0.2852578 38 Pb -1.0418442 0.0000000 -0.4274048 0.0000000 0.3617091 0.0000000 0.1187573 0.0000000 -0.3010547 39 Pb 0.8447989 0.0240812 -0.0168390 0.8225259 1.1619655 -0.4978296 0.0521902 -0.2133305 -0.2852578 40 Pb 0.8447989 -0.0240812 0.0168390 -0.8225259 1.1619655 -0.4978296 -0.0521902 -0.2133305 -0.2852578 41 Pb 0.8447989 0.0240812 0.0168390 0.8225259 1.1619655 0.4978296 -0.0521902 0.2133305 -0.2852578 42 Pb 0.8447989 -0.0240812 0.0168390 -0.8225259 1.1619655 -0.4978296 -0.0521902 -0.2133305 -0.2852578 43 Pb 0.8447989 0.0240812 0.0168390 0.8225259 1.1619655 0.4978296 -0.0521902 0.2133305 -0.2852578 44 Pb -1.0418442 0.0000000 0.4274048 0.0000000 0.3617091 0.0000000 -0.1187573 0.0000000 -0.3010547----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000001 (yzy) 0.00000001 (yzy) 0.00000001 (yyz)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 3 4 8 ]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: 0.36, Number of G-points: 311, Lambda: 0.12Running 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-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 0.454 ( 0.000 0.000 0.000) 0.000 0.507 ( 0.000 0.000 0.000) 0.000 0.827 ( 0.000 0.000 0.000) 0.000 0.837 ( 0.000 0.000 0.000) 0.000 0.884 ( 0.000 0.000 0.000) 0.000 0.892 ( 0.000 0.000 0.000) 0.000 0.894 ( 0.000 0.000 0.000) 0.000 0.929 ( 0.000 0.000 0.000) 0.000 1.042 ( 0.000 0.000 0.000) 0.000 1.051 ( 0.000 0.000 0.000) 0.000 1.137 ( 0.000 0.000 0.000) 0.000 1.141 ( 0.000 0.000 0.000) 0.000 1.181 ( 0.000 0.000 0.000) 0.000 1.196 ( 0.000 0.000 0.000) 0.000 1.216 ( 0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.293 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.475 ( 0.000 0.000 0.000) 0.000 1.553 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.621 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.656 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.674 ( 0.000 0.000 0.000) 0.000 1.681 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 0.000) 0.000 1.833 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.085 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.164 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.622 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.760 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.847 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 2.990 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.098 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.138 ( 0.000 0.000 0.000) 0.000 3.153 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.531 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.714 ( 0.000 0.000 0.000) 0.000 3.802 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.058 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 4.982 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.287 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/30) =======================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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.202 ( 11.343 0.000 0.000) 11.343 0.232 ( 12.906 0.000 0.000) 12.906 0.375 ( -3.016 0.000 0.000) 3.016 0.376 ( 15.210 0.000 0.000) 15.210 0.424 ( -8.962 0.000 0.000) 8.962 0.681 ( -14.479 0.000 0.000) 14.479 0.864 ( 3.166 0.000 0.000) 3.166 0.884 ( -0.106 0.000 0.000) 0.106 0.887 ( -0.526 0.000 0.000) 0.526 0.904 ( -0.971 0.000 0.000) 0.971 0.946 ( 2.295 0.000 0.000) 2.295 1.002 ( -3.681 0.000 0.000) 3.681 1.090 ( 3.128 0.000 0.000) 3.128 1.130 ( -1.389 0.000 0.000) 1.389 1.157 ( 2.466 0.000 0.000) 2.466 1.201 ( -2.020 0.000 0.000) 2.020 1.221 ( 1.416 0.000 0.000) 1.416 1.228 ( 3.843 0.000 0.000) 3.843 1.261 ( -2.885 0.000 0.000) 2.885 1.270 ( -0.597 0.000 0.000) 0.597 1.365 ( 1.654 0.000 0.000) 1.654 1.397 ( -1.686 0.000 0.000) 1.686 1.471 ( 0.381 0.000 0.000) 0.381 1.504 ( -3.083 0.000 0.000) 3.083 1.570 ( 0.948 0.000 0.000) 0.948 1.581 ( 0.127 0.000 0.000) 0.127 1.633 ( -0.263 0.000 0.000) 0.263 1.633 ( -0.262 0.000 0.000) 0.262 1.653 ( 1.308 0.000 0.000) 1.308 1.664 ( 0.724 0.000 0.000) 0.724 1.670 ( -0.550 0.000 0.000) 0.550 1.672 ( 0.068 0.000 0.000) 0.068 1.687 ( 0.471 0.000 0.000) 0.471 1.691 ( -0.021 0.000 0.000) 0.021 1.815 ( 0.649 0.000 0.000) 0.649 1.847 ( -2.536 0.000 0.000) 2.536 1.903 ( 1.508 0.000 0.000) 1.508 1.919 ( -0.164 0.000 0.000) 0.164 1.975 ( 2.004 0.000 0.000) 2.004 2.012 ( -2.041 0.000 0.000) 2.041 2.063 ( -0.422 0.000 0.000) 0.422 2.065 ( -0.202 0.000 0.000) 0.202 2.066 ( -0.025 0.000 0.000) 0.025 2.069 ( -0.242 0.000 0.000) 0.242 2.115 ( 2.953 0.000 0.000) 2.953 2.135 ( 2.200 0.000 0.000) 2.200 2.144 ( 0.044 0.000 0.000) 0.044 2.154 ( -0.506 0.000 0.000) 0.506 2.154 ( -0.488 0.000 0.000) 0.488 2.166 ( -1.850 0.000 0.000) 1.850 2.193 ( 2.485 0.000 0.000) 2.485 2.237 ( -2.377 0.000 0.000) 2.377 2.245 ( 1.344 0.000 0.000) 1.344 2.272 ( -1.726 0.000 0.000) 1.726 2.333 ( 0.011 0.000 0.000) 0.011 2.336 ( -1.512 0.000 0.000) 1.512 2.351 ( -2.098 0.000 0.000) 2.098 2.355 ( -3.001 0.000 0.000) 3.001 2.474 ( 1.361 0.000 0.000) 1.361 2.499 ( -1.050 0.000 0.000) 1.050 2.517 ( 5.336 0.000 0.000) 5.336 2.526 ( 3.072 0.000 0.000) 3.072 2.568 ( -2.134 0.000 0.000) 2.134 2.569 ( 2.687 0.000 0.000) 2.687 2.585 ( 1.305 0.000 0.000) 1.305 2.611 ( -1.495 0.000 0.000) 1.495 2.618 ( 0.680 0.000 0.000) 0.680 2.715 ( -6.610 0.000 0.000) 6.610 2.740 ( 0.908 0.000 0.000) 0.908 2.771 ( -2.470 0.000 0.000) 2.470 2.795 ( 1.247 0.000 0.000) 1.247 2.801 ( 0.392 0.000 0.000) 0.392 2.809 ( 3.591 0.000 0.000) 3.591 2.854 ( -0.986 0.000 0.000) 0.986 2.942 ( 0.498 0.000 0.000) 0.498 2.965 ( -2.267 0.000 0.000) 2.267 2.974 ( 0.391 0.000 0.000) 0.391 2.985 ( -0.568 0.000 0.000) 0.568 3.062 ( 3.199 0.000 0.000) 3.199 3.090 ( 0.681 0.000 0.000) 0.681 3.091 ( 1.000 0.000 0.000) 1.000 3.092 ( 0.535 0.000 0.000) 0.535 3.097 ( -0.118 0.000 0.000) 0.118 3.108 ( -0.121 0.000 0.000) 0.121 3.112 ( 2.043 0.000 0.000) 2.043 3.116 ( -1.708 0.000 0.000) 1.708 3.120 ( -1.913 0.000 0.000) 1.913 3.185 ( -5.562 0.000 0.000) 5.562 3.215 ( 1.634 0.000 0.000) 1.634 3.237 ( -1.161 0.000 0.000) 1.161 3.321 ( 4.723 0.000 0.000) 4.723 3.390 ( -2.745 0.000 0.000) 2.745 3.428 ( 2.426 0.000 0.000) 2.426 3.456 ( -0.991 0.000 0.000) 0.991 3.568 ( 1.237 0.000 0.000) 1.237 3.571 ( 4.201 0.000 0.000) 4.201 3.593 ( -1.360 0.000 0.000) 1.360 3.653 ( -4.955 0.000 0.000) 4.955 3.695 ( 3.829 0.000 0.000) 3.829 3.779 ( -4.914 0.000 0.000) 4.914 3.915 ( 4.816 0.000 0.000) 4.816 3.999 ( -3.974 0.000 0.000) 3.974 4.050 ( -0.574 0.000 0.000) 0.574 4.057 ( -1.959 0.000 0.000) 1.959 4.100 ( 4.011 0.000 0.000) 4.011 4.166 ( -3.564 0.000 0.000) 3.564 4.235 ( 5.656 0.000 0.000) 5.656 4.317 ( -3.602 0.000 0.000) 3.602 4.354 ( 1.639 0.000 0.000) 1.639 4.375 ( -0.768 0.000 0.000) 0.768 4.546 ( 0.390 0.000 0.000) 0.390 4.552 ( -0.211 0.000 0.000) 0.211 4.657 ( 0.770 0.000 0.000) 0.770 4.674 ( -1.041 0.000 0.000) 1.041 4.709 ( 0.028 0.000 0.000) 0.028 4.709 ( -0.005 0.000 0.000) 0.005 4.715 ( 0.124 0.000 0.000) 0.124 4.717 ( -0.165 0.000 0.000) 0.165 4.784 ( 1.142 0.000 0.000) 1.142 4.802 ( -0.817 0.000 0.000) 0.817 4.804 ( 0.074 0.000 0.000) 0.074 4.806 ( -0.214 0.000 0.000) 0.214 4.988 ( 0.601 0.000 0.000) 0.601 4.998 ( -0.455 0.000 0.000) 0.455 5.033 ( 2.439 0.000 0.000) 2.439 5.088 ( -3.693 0.000 0.000) 3.693 5.234 ( 2.981 0.000 0.000) 2.981 5.240 ( 2.035 0.000 0.000) 2.035 5.275 ( -1.696 0.000 0.000) 1.696 5.282 ( -2.602 0.000 0.000) 2.602 5.369 ( 1.012 0.000 0.000) 1.012 5.381 ( -0.442 0.000 0.000) 0.442======================= Grid point 3 (3/30) =======================q-point: ( 0.00 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 20Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.277 ( 0.000 13.159 0.000) 13.159 0.322 ( 0.000 14.944 0.000) 14.944 0.487 ( 0.000 21.192 0.000) 21.192 0.553 ( 0.000 8.296 0.000) 8.296 0.558 ( 0.000 3.543 0.000) 3.543 0.752 ( 0.000 -5.986 0.000) 5.986 0.777 ( 0.000 -6.380 0.000) 6.380 0.819 ( 0.000 -7.221 0.000) 7.221 0.860 ( 0.000 -1.624 0.000) 1.624 0.897 ( 0.000 0.958 0.000) 0.958 0.943 ( 0.000 2.002 0.000) 2.002 1.021 ( 0.000 -2.315 0.000) 2.315 1.085 ( 0.000 -0.198 0.000) 0.198 1.111 ( 0.000 -4.918 0.000) 4.918 1.147 ( 0.000 4.623 0.000) 4.623 1.207 ( 0.000 -4.742 0.000) 4.742 1.208 ( 0.000 0.757 0.000) 0.757 1.218 ( 0.000 2.483 0.000) 2.483 1.286 ( 0.000 -0.356 0.000) 0.356 1.288 ( 0.000 -0.277 0.000) 0.277 1.368 ( 0.000 2.436 0.000) 2.436 1.390 ( 0.000 -1.272 0.000) 1.272 1.415 ( 0.000 -2.438 0.000) 2.438 1.478 ( 0.000 -6.158 0.000) 6.158 1.582 ( 0.000 1.768 0.000) 1.768 1.599 ( 0.000 3.770 0.000) 3.770 1.620 ( 0.000 -0.303 0.000) 0.303 1.666 ( 0.000 2.206 0.000) 2.206 1.668 ( 0.000 2.206 0.000) 2.206 1.673 ( 0.000 3.419 0.000) 3.419 1.680 ( 0.000 0.684 0.000) 0.684 1.730 ( 0.000 3.424 0.000) 3.424 1.793 ( 0.000 5.644 0.000) 5.644 1.816 ( 0.000 0.261 0.000) 0.261 1.833 ( 0.000 -0.034 0.000) 0.034 1.913 ( 0.000 -0.434 0.000) 0.434 1.918 ( 0.000 3.861 0.000) 3.861 1.949 ( 0.000 -1.963 0.000) 1.963 1.970 ( 0.000 2.069 0.000) 2.069 1.995 ( 0.000 -4.302 0.000) 4.302 1.996 ( 0.000 -6.212 0.000) 6.212 2.018 ( 0.000 -0.680 0.000) 0.680 2.022 ( 0.000 -2.183 0.000) 2.183 2.044 ( 0.000 -4.578 0.000) 4.578 2.065 ( 0.000 -2.549 0.000) 2.549 2.078 ( 0.000 -1.436 0.000) 1.436 2.110 ( 0.000 0.057 0.000) 0.057 2.130 ( 0.000 -0.117 0.000) 0.117 2.151 ( 0.000 -2.321 0.000) 2.321 2.208 ( 0.000 3.508 0.000) 3.508 2.242 ( 0.000 -4.742 0.000) 4.742 2.257 ( 0.000 0.925 0.000) 0.925 2.264 ( 0.000 2.143 0.000) 2.143 2.288 ( 0.000 -3.214 0.000) 3.214 2.306 ( 0.000 2.179 0.000) 2.179 2.311 ( 0.000 0.445 0.000) 0.445 2.405 ( 0.000 2.455 0.000) 2.455 2.435 ( 0.000 0.996 0.000) 0.996 2.436 ( 0.000 0.456 0.000) 0.456 2.456 ( 0.000 -0.572 0.000) 0.572 2.506 ( 0.000 -0.736 0.000) 0.736 2.515 ( 0.000 -0.285 0.000) 0.285 2.519 ( 0.000 0.320 0.000) 0.320 2.535 ( 0.000 -3.087 0.000) 3.087 2.588 ( 0.000 1.653 0.000) 1.653 2.623 ( 0.000 -0.979 0.000) 0.979 2.714 ( 0.000 -1.364 0.000) 1.364 2.726 ( 0.000 2.711 0.000) 2.711 2.730 ( 0.000 1.796 0.000) 1.796 2.761 ( 0.000 1.438 0.000) 1.438 2.771 ( 0.000 -4.159 0.000) 4.159 2.818 ( 0.000 0.988 0.000) 0.988 2.857 ( 0.000 4.683 0.000) 4.683 2.914 ( 0.000 4.007 0.000) 4.007 2.929 ( 0.000 0.904 0.000) 0.904 2.957 ( 0.000 -1.292 0.000) 1.292 2.969 ( 0.000 -0.750 0.000) 0.750 2.989 ( 0.000 0.710 0.000) 0.710 2.999 ( 0.000 -1.386 0.000) 1.386 3.037 ( 0.000 -2.664 0.000) 2.664 3.085 ( 0.000 -2.623 0.000) 2.623 3.088 ( 0.000 -2.205 0.000) 2.205 3.099 ( 0.000 0.178 0.000) 0.178 3.128 ( 0.000 3.765 0.000) 3.765 3.160 ( 0.000 -1.596 0.000) 1.596 3.161 ( 0.000 4.218 0.000) 4.218 3.186 ( 0.000 3.274 0.000) 3.274 3.230 ( 0.000 -0.463 0.000) 0.463 3.253 ( 0.000 -1.147 0.000) 1.147 3.267 ( 0.000 -0.380 0.000) 0.380 3.336 ( 0.000 0.103 0.000) 0.103 3.378 ( 0.000 -1.640 0.000) 1.640 3.382 ( 0.000 0.088 0.000) 0.088 3.457 ( 0.000 -0.349 0.000) 0.349 3.481 ( 0.000 -2.181 0.000) 2.181 3.501 ( 0.000 -2.259 0.000) 2.259 3.600 ( 0.000 3.693 0.000) 3.693 3.687 ( 0.000 1.466 0.000) 1.466 3.729 ( 0.000 1.267 0.000) 1.267 3.790 ( 0.000 -1.127 0.000) 1.127 3.932 ( 0.000 0.012 0.000) 0.012 3.978 ( 0.000 -2.424 0.000) 2.424 4.016 ( 0.000 -2.637 0.000) 2.637 4.025 ( 0.000 -1.168 0.000) 1.168 4.090 ( 0.000 1.974 0.000) 1.974 4.146 ( 0.000 -0.722 0.000) 0.722 4.238 ( 0.000 2.360 0.000) 2.360 4.305 ( 0.000 -1.130 0.000) 1.130 4.386 ( 0.000 1.998 0.000) 1.998 4.497 ( 0.000 -3.305 0.000) 3.305 4.502 ( 0.000 0.650 0.000) 0.650 4.558 ( 0.000 -1.359 0.000) 1.359 4.679 ( 0.000 2.443 0.000) 2.443 4.707 ( 0.000 1.030 0.000) 1.030 4.710 ( 0.000 0.056 0.000) 0.056 4.710 ( 0.000 0.132 0.000) 0.132 4.717 ( 0.000 0.783 0.000) 0.783 4.718 ( 0.000 -0.028 0.000) 0.028 4.766 ( 0.000 -0.568 0.000) 0.568 4.794 ( 0.000 -1.877 0.000) 1.877 4.822 ( 0.000 1.664 0.000) 1.664 4.824 ( 0.000 1.418 0.000) 1.418 4.903 ( 0.000 -1.454 0.000) 1.454 4.920 ( 0.000 -2.952 0.000) 2.952 5.103 ( 0.000 5.270 0.000) 5.270 5.185 ( 0.000 0.101 0.000) 0.101 5.191 ( 0.000 -0.129 0.000) 0.129 5.234 ( 0.000 1.105 0.000) 1.105 5.272 ( 0.000 -1.987 0.000) 1.987 5.280 ( 0.000 -0.654 0.000) 0.654 5.307 ( 0.000 -0.314 0.000) 0.314 5.330 ( 0.000 -1.669 0.000) 1.669======================= Grid point 4 (4/30) =======================q-point: ( 0.33 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.347 ( 7.112 9.400 0.000) 11.788 0.378 ( 5.877 12.552 0.000) 13.860 0.481 ( -7.488 4.807 0.000) 8.898 0.490 ( -6.188 9.394 0.000) 11.249 0.596 ( 10.070 14.343 0.000) 17.525 0.730 ( -3.849 -0.087 0.000) 3.850 0.792 ( 1.651 -5.812 0.000) 6.042 0.821 ( -0.831 -6.049 0.000) 6.106 0.871 ( 0.608 -2.814 0.000) 2.879 0.886 ( -1.626 0.444 0.000) 1.686 0.948 ( 1.403 2.871 0.000) 3.195 0.989 ( -2.776 0.644 0.000) 2.850 1.090 ( 1.196 -3.603 0.000) 3.796 1.105 ( -0.586 -4.903 0.000) 4.938 1.139 ( 0.485 3.313 0.000) 3.348 1.181 ( -3.479 2.695 0.000) 4.401 1.217 ( 0.923 -4.187 0.000) 4.287 1.228 ( 0.325 -1.235 0.000) 1.277 1.279 ( -0.049 0.161 0.000) 0.169 1.286 ( -0.246 -0.485 0.000) 0.544 1.373 ( 0.757 1.564 0.000) 1.738 1.387 ( -0.582 -0.210 0.000) 0.619 1.432 ( 1.747 -2.896 0.000) 3.382 1.464 ( -1.596 -4.916 0.000) 5.168 1.573 ( -0.294 1.831 0.000) 1.855 1.581 ( -1.217 2.890 0.000) 3.136 1.634 ( 1.164 0.843 0.000) 1.438 1.656 ( -1.284 2.124 0.000) 2.482 1.674 ( 0.559 2.487 0.000) 2.550 1.678 ( 0.309 2.927 0.000) 2.943 1.700 ( 1.819 1.271 0.000) 2.219 1.724 ( -0.801 2.596 0.000) 2.716 1.789 ( -0.283 5.163 0.000) 5.170 1.795 ( -1.243 2.928 0.000) 3.181 1.853 ( 1.724 0.608 0.000) 1.828 1.885 ( -1.900 1.487 0.000) 2.412 1.930 ( 0.438 1.836 0.000) 1.888 1.944 ( -1.527 3.465 0.000) 3.786 1.964 ( 1.364 -1.801 0.000) 2.259 1.985 ( -0.950 -3.327 0.000) 3.460 2.007 ( 0.895 -5.042 0.000) 5.121 2.019 ( -0.355 -2.594 0.000) 2.619 2.025 ( 0.502 -2.793 0.000) 2.838 2.037 ( -0.758 -5.099 0.000) 5.155 2.062 ( -0.047 -1.962 0.000) 1.962 2.068 ( -0.778 -1.654 0.000) 1.828 2.113 ( 0.397 -0.263 0.000) 0.476 2.122 ( -0.530 -0.877 0.000) 1.025 2.176 ( 2.103 -0.352 0.000) 2.132 2.204 ( -0.721 2.409 0.000) 2.515 2.244 ( 0.255 -4.137 0.000) 4.145 2.247 ( -0.324 -0.811 0.000) 0.873 2.277 ( 0.012 -0.556 0.000) 0.556 2.285 ( 0.937 1.795 0.000) 2.025 2.289 ( -1.725 1.583 0.000) 2.341 2.305 ( -0.672 2.818 0.000) 2.897 2.384 ( -1.904 1.668 0.000) 2.531 2.385 ( -1.477 3.152 0.000) 3.481 2.448 ( 1.533 -0.394 0.000) 1.583 2.481 ( -1.954 -1.349 0.000) 2.374 2.496 ( 1.818 -1.982 0.000) 2.690 2.516 ( -0.584 -2.982 0.000) 3.039 2.553 ( 2.051 -2.034 0.000) 2.888 2.565 ( 1.472 -3.361 0.000) 3.669 2.602 ( 1.527 2.590 0.000) 3.006 2.607 ( 0.042 1.886 0.000) 1.886 2.704 ( -1.051 4.828 0.000) 4.941 2.722 ( -2.644 2.059 0.000) 3.352 2.739 ( 1.112 1.093 0.000) 1.559 2.760 ( 3.176 -2.439 0.000) 4.005 2.770 ( -1.885 -0.468 0.000) 1.943 2.807 ( -2.453 -1.148 0.000) 2.708 2.863 ( 0.157 2.684 0.000) 2.688 2.871 ( 0.427 3.758 0.000) 3.783 2.944 ( -0.099 0.031 0.000) 0.104 2.947 ( 0.170 -0.051 0.000) 0.177 2.983 ( 0.090 1.256 0.000) 1.259 2.984 ( 0.619 -1.606 0.000) 1.722 3.035 ( -0.172 -2.041 0.000) 2.049 3.052 ( -2.158 -2.189 0.000) 3.074 3.071 ( 4.545 -0.411 0.000) 4.564 3.098 ( 0.226 0.202 0.000) 0.303 3.102 ( -1.421 2.437 0.000) 2.821 3.136 ( 5.567 0.551 0.000) 5.594 3.155 ( -3.024 1.920 0.000) 3.582 3.186 ( 0.257 4.079 0.000) 4.087 3.190 ( 1.676 -1.625 0.000) 2.335 3.196 ( -2.439 1.976 0.000) 3.139 3.216 ( -1.727 -0.733 0.000) 1.876 3.249 ( -6.731 3.619 0.000) 7.643 3.306 ( 3.998 -1.292 0.000) 4.202 3.365 ( -2.109 -1.712 0.000) 2.716 3.408 ( 2.002 -1.111 0.000) 2.290 3.438 ( -1.579 -0.764 0.000) 1.754 3.506 ( 0.996 -4.745 0.000) 4.848 3.511 ( 0.311 -3.684 0.000) 3.697 3.628 ( 3.259 4.024 0.000) 5.178 3.689 ( -3.321 2.849 0.000) 4.376 3.713 ( 2.874 1.045 0.000) 3.058 3.778 ( -3.847 -0.535 0.000) 3.884 3.913 ( 2.946 0.149 0.000) 2.950 3.982 ( -3.682 -1.533 0.000) 3.988 4.006 ( 0.473 -3.587 0.000) 3.618 4.016 ( -0.842 -2.349 0.000) 2.495 4.135 ( 3.986 2.155 0.000) 4.531 4.201 ( 5.250 -1.327 0.000) 5.416 4.201 ( -3.496 2.372 0.000) 4.225 4.280 ( -3.359 -1.699 0.000) 3.764 4.405 ( 2.240 2.782 0.000) 3.572 4.457 ( -3.748 3.096 0.000) 4.861 4.511 ( 1.386 -2.565 0.000) 2.915 4.536 ( -1.440 -1.283 0.000) 1.928 4.686 ( 0.678 2.268 0.000) 2.367 4.699 ( -0.743 1.694 0.000) 1.850 4.710 ( 0.089 0.131 0.000) 0.158 4.712 ( -0.003 0.408 0.000) 0.408 4.714 ( -0.055 0.024 0.000) 0.060 4.716 ( -0.146 -0.053 0.000) 0.155 4.774 ( 0.716 -0.977 0.000) 1.211 4.785 ( -0.618 -1.549 0.000) 1.667 4.822 ( -0.017 1.678 0.000) 1.678 4.823 ( -0.108 1.543 0.000) 1.547 4.925 ( 0.494 -3.179 0.000) 3.217 4.926 ( 0.852 -3.359 0.000) 3.465 5.115 ( 1.363 4.642 0.000) 4.838 5.149 ( -2.482 2.730 0.000) 3.690 5.222 ( 2.346 -1.045 0.000) 2.568 5.250 ( 1.817 0.840 0.000) 2.001 5.257 ( -1.605 -1.735 0.000) 2.364 5.285 ( -1.980 0.239 0.000) 1.994 5.315 ( 2.150 -2.940 0.000) 3.643 5.334 ( -0.165 -2.423 0.000) 2.428======================= Grid point 6 (5/30) =======================q-point: ( 0.00 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 20Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.537 ( 0.000 -11.376 0.000) 11.376 0.537 ( 0.000 11.376 0.000) 11.376 0.596 ( 0.000 -8.352 0.000) 8.352 0.596 ( 0.000 8.352 0.000) 8.352 0.652 ( 0.000 -0.446 0.000) 0.446 0.652 ( 0.000 0.446 0.000) 0.446 0.734 ( 0.000 -7.295 0.000) 7.295 0.734 ( 0.000 7.295 0.000) 7.295 0.932 ( 0.000 -2.279 0.000) 2.279 0.932 ( 0.000 2.279 0.000) 2.279 0.947 ( 0.000 -14.055 0.000) 14.055 0.947 ( 0.000 14.055 0.000) 14.055 1.049 ( 0.000 -5.236 0.000) 5.236 1.049 ( 0.000 5.236 0.000) 5.236 1.156 ( 0.000 -5.548 0.000) 5.548 1.156 ( 0.000 5.548 0.000) 5.548 1.250 ( 0.000 -1.467 0.000) 1.467 1.250 ( 0.000 1.467 0.000) 1.467 1.255 ( 0.000 -4.012 0.000) 4.012 1.255 ( 0.000 4.012 0.000) 4.012 1.383 ( 0.000 -1.507 0.000) 1.507 1.383 ( 0.000 1.507 0.000) 1.507 1.411 ( 0.000 -0.544 0.000) 0.544 1.411 ( 0.000 0.544 0.000) 0.544 1.620 ( 0.000 -0.666 0.000) 0.666 1.620 ( 0.000 0.666 0.000) 0.666 1.675 ( 0.000 -2.152 0.000) 2.152 1.675 ( 0.000 2.152 0.000) 2.152 1.682 ( 0.000 -0.410 0.000) 0.410 1.682 ( 0.000 0.410 0.000) 0.410 1.751 ( 0.000 -2.798 0.000) 2.798 1.751 ( 0.000 2.798 0.000) 2.798 1.830 ( 0.000 -0.442 0.000) 0.442 1.830 ( 0.000 0.442 0.000) 0.442 1.878 ( 0.000 -2.592 0.000) 2.592 1.878 ( 0.000 2.592 0.000) 2.592 1.926 ( 0.000 -0.666 0.000) 0.666 1.926 ( 0.000 0.666 0.000) 0.666 1.930 ( 0.000 -3.121 0.000) 3.121 1.930 ( 0.000 3.121 0.000) 3.121 2.016 ( 0.000 -0.074 0.000) 0.074 2.016 ( 0.000 0.074 0.000) 0.074 2.019 ( 0.000 -1.705 0.000) 1.705 2.019 ( 0.000 1.705 0.000) 1.705 2.055 ( 0.000 -2.697 0.000) 2.697 2.055 ( 0.000 2.697 0.000) 2.697 2.056 ( 0.000 -3.554 0.000) 3.554 2.056 ( 0.000 3.554 0.000) 3.554 2.174 ( 0.000 -2.900 0.000) 2.900 2.174 ( 0.000 2.900 0.000) 2.900 2.253 ( 0.000 -0.129 0.000) 0.129 2.253 ( 0.000 0.129 0.000) 0.129 2.281 ( 0.000 -1.387 0.000) 1.387 2.281 ( 0.000 1.387 0.000) 1.387 2.324 ( 0.000 -0.270 0.000) 0.270 2.324 ( 0.000 0.270 0.000) 0.270 2.444 ( 0.000 -0.346 0.000) 0.346 2.444 ( 0.000 0.346 0.000) 0.346 2.460 ( 0.000 -2.496 0.000) 2.496 2.460 ( 0.000 2.496 0.000) 2.496 2.479 ( 0.000 -2.596 0.000) 2.596 2.479 ( 0.000 2.596 0.000) 2.596 2.505 ( 0.000 -0.363 0.000) 0.363 2.505 ( 0.000 0.363 0.000) 0.363 2.645 ( 0.000 -2.933 0.000) 2.933 2.645 ( 0.000 2.933 0.000) 2.933 2.660 ( 0.000 -5.018 0.000) 5.018 2.660 ( 0.000 5.018 0.000) 5.018 2.768 ( 0.000 -0.248 0.000) 0.248 2.768 ( 0.000 0.248 0.000) 0.248 2.820 ( 0.000 -2.069 0.000) 2.069 2.820 ( 0.000 2.069 0.000) 2.069 2.944 ( 0.000 -0.141 0.000) 0.141 2.944 ( 0.000 0.141 0.000) 0.141 2.945 ( 0.000 -1.636 0.000) 1.636 2.945 ( 0.000 1.636 0.000) 1.636 2.966 ( 0.000 -2.463 0.000) 2.463 2.966 ( 0.000 2.463 0.000) 2.463 3.011 ( 0.000 -0.971 0.000) 0.971 3.011 ( 0.000 0.971 0.000) 0.971 3.034 ( 0.000 -0.606 0.000) 0.606 3.034 ( 0.000 0.606 0.000) 0.606 3.121 ( 0.000 -1.866 0.000) 1.866 3.121 ( 0.000 1.866 0.000) 1.866 3.200 ( 0.000 -2.441 0.000) 2.441 3.200 ( 0.000 2.441 0.000) 2.441 3.223 ( 0.000 -1.585 0.000) 1.585 3.223 ( 0.000 1.585 0.000) 1.585 3.246 ( 0.000 -1.969 0.000) 1.969 3.246 ( 0.000 1.969 0.000) 1.969 3.344 ( 0.000 -1.208 0.000) 1.208 3.344 ( 0.000 1.208 0.000) 1.208 3.421 ( 0.000 -3.155 0.000) 3.155 3.421 ( 0.000 3.155 0.000) 3.155 3.463 ( 0.000 -1.080 0.000) 1.080 3.463 ( 0.000 1.080 0.000) 1.080 3.677 ( 0.000 -2.770 0.000) 2.770 3.677 ( 0.000 2.770 0.000) 2.770 3.760 ( 0.000 -1.606 0.000) 1.606 3.760 ( 0.000 1.606 0.000) 1.606 3.941 ( 0.000 -1.035 0.000) 1.035 3.941 ( 0.000 1.035 0.000) 1.035 3.995 ( 0.000 -0.890 0.000) 0.890 3.995 ( 0.000 0.890 0.000) 0.890 4.125 ( 0.000 -1.348 0.000) 1.348 4.125 ( 0.000 1.348 0.000) 1.348 4.281 ( 0.000 -1.581 0.000) 1.581 4.281 ( 0.000 1.581 0.000) 1.581 4.432 ( 0.000 -2.687 0.000) 2.687 4.432 ( 0.000 2.687 0.000) 2.687 4.526 ( 0.000 -1.529 0.000) 1.529 4.526 ( 0.000 1.529 0.000) 1.529 4.710 ( 0.000 -0.046 0.000) 0.046 4.710 ( 0.000 0.046 0.000) 0.046 4.712 ( 0.000 -0.004 0.000) 0.004 4.712 ( 0.000 0.004 0.000) 0.004 4.743 ( 0.000 -2.730 0.000) 2.730 4.743 ( 0.000 2.730 0.000) 2.730 4.746 ( 0.000 -1.326 0.000) 1.326 4.746 ( 0.000 1.326 0.000) 1.326 4.864 ( 0.000 -2.149 0.000) 2.149 4.864 ( 0.000 2.149 0.000) 2.149 4.865 ( 0.000 -2.387 0.000) 2.387 4.865 ( 0.000 2.387 0.000) 2.387 5.188 ( 0.000 -0.143 0.000) 0.143 5.188 ( 0.000 0.143 0.000) 0.143 5.204 ( 0.000 -4.273 0.000) 4.273 5.204 ( 0.000 4.273 0.000) 4.273 5.260 ( 0.000 -1.236 0.000) 1.236 5.260 ( 0.000 1.236 0.000) 1.236 5.307 ( 0.000 -0.483 0.000) 0.483 5.307 ( 0.000 0.483 0.000) 0.483======================= Grid point 8 (6/30) =======================q-point: ( 0.33 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 25Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( 2.650 -10.270 0.000) 10.606 0.562 ( 2.650 10.270 0.000) 10.606 0.611 ( -1.604 -7.549 0.000) 7.718 0.611 ( -1.604 7.549 0.000) 7.718 0.636 ( 1.815 -11.114 0.000) 11.262 0.636 ( 1.815 11.114 0.000) 11.262 0.697 ( -3.682 -8.783 0.000) 9.523 0.697 ( -3.682 8.783 0.000) 9.523 0.965 ( 2.828 -3.799 0.000) 4.735 0.965 ( 2.828 3.799 0.000) 4.735 0.978 ( 2.141 -10.295 0.000) 10.515 0.978 ( 2.141 10.295 0.000) 10.515 1.061 ( 1.708 -6.655 0.000) 6.871 1.061 ( 1.708 6.655 0.000) 6.871 1.120 ( -3.906 -7.167 0.000) 8.162 1.120 ( -3.906 7.167 0.000) 8.162 1.233 ( -0.984 -2.827 0.000) 2.993 1.233 ( -0.984 2.827 0.000) 2.993 1.237 ( -1.260 -3.949 0.000) 4.145 1.237 ( -1.260 3.949 0.000) 4.145 1.392 ( 0.751 -1.155 0.000) 1.377 1.392 ( 0.751 1.155 0.000) 1.377 1.404 ( -0.641 -0.877 0.000) 1.086 1.404 ( -0.641 0.877 0.000) 1.086 1.634 ( 1.324 -2.235 0.000) 2.598 1.634 ( 1.324 2.235 0.000) 2.598 1.659 ( -1.493 -2.817 0.000) 3.188 1.659 ( -1.493 2.817 0.000) 3.188 1.704 ( 2.267 -0.896 0.000) 2.437 1.704 ( 2.267 0.896 0.000) 2.437 1.740 ( -1.467 -2.152 0.000) 2.604 1.740 ( -1.467 2.152 0.000) 2.604 1.843 ( 1.386 -1.445 0.000) 2.002 1.843 ( 1.386 1.445 0.000) 2.002 1.867 ( -1.182 -2.220 0.000) 2.514 1.867 ( -1.182 2.220 0.000) 2.514 1.925 ( -0.103 -1.240 0.000) 1.244 1.925 ( -0.103 1.240 0.000) 1.244 1.926 ( -0.304 -2.809 0.000) 2.825 1.926 ( -0.304 2.809 0.000) 2.825 2.009 ( -0.460 -0.772 0.000) 0.899 2.009 ( -0.460 0.772 0.000) 0.899 2.010 ( -0.603 -1.530 0.000) 1.644 2.010 ( -0.603 1.530 0.000) 1.644 2.058 ( 0.168 -3.335 0.000) 3.339 2.058 ( 0.168 3.335 0.000) 3.339 2.058 ( 0.176 -3.196 0.000) 3.201 2.058 ( 0.176 3.196 0.000) 3.201 2.194 ( 2.028 -2.141 0.000) 2.949 2.194 ( 2.028 2.141 0.000) 2.949 2.231 ( -2.060 -0.845 0.000) 2.227 2.231 ( -2.060 0.845 0.000) 2.227 2.298 ( 1.512 -1.016 0.000) 1.821 2.298 ( 1.512 1.016 0.000) 1.821 2.320 ( -0.776 -0.930 0.000) 1.211 2.320 ( -0.776 0.930 0.000) 1.211 2.433 ( 0.078 -2.329 0.000) 2.331 2.433 ( 0.078 2.329 0.000) 2.331 2.453 ( -1.359 -1.779 0.000) 2.239 2.453 ( -1.359 1.779 0.000) 2.239 2.487 ( 0.206 -2.585 0.000) 2.594 2.487 ( 0.206 2.585 0.000) 2.594 2.489 ( -0.599 -2.004 0.000) 2.092 2.489 ( -0.599 2.004 0.000) 2.092 2.671 ( 1.812 -3.757 0.000) 4.171 2.671 ( 1.812 3.757 0.000) 4.171 2.676 ( 1.111 -4.264 0.000) 4.406 2.676 ( 1.111 4.264 0.000) 4.406 2.771 ( 0.727 -0.910 0.000) 1.165 2.771 ( 0.727 0.910 0.000) 1.165 2.801 ( -2.130 -2.004 0.000) 2.925 2.801 ( -2.130 2.004 0.000) 2.925 2.926 ( -0.728 -2.804 0.000) 2.897 2.926 ( -0.728 2.804 0.000) 2.897 2.932 ( -0.986 -2.270 0.000) 2.475 2.932 ( -0.986 2.270 0.000) 2.475 2.985 ( 1.557 -2.320 0.000) 2.794 2.985 ( 1.557 2.320 0.000) 2.794 3.001 ( -0.112 -1.182 0.000) 1.187 3.001 ( -0.112 1.182 0.000) 1.187 3.085 ( 3.254 -1.481 0.000) 3.575 3.085 ( 3.254 1.481 0.000) 3.575 3.153 ( -4.350 -1.645 0.000) 4.651 3.153 ( -4.350 1.645 0.000) 4.651 3.155 ( 3.702 -1.957 0.000) 4.187 3.155 ( 3.702 1.957 0.000) 4.187 3.208 ( -1.991 -0.891 0.000) 2.181 3.208 ( -1.991 0.891 0.000) 2.181 3.263 ( 2.194 -3.019 0.000) 3.732 3.263 ( 2.194 3.019 0.000) 3.732 3.317 ( -3.235 -3.286 0.000) 4.612 3.317 ( -3.235 3.286 0.000) 4.612 3.427 ( 1.012 -2.857 0.000) 3.031 3.427 ( 1.012 2.857 0.000) 3.031 3.450 ( -1.332 -1.971 0.000) 2.379 3.450 ( -1.332 1.971 0.000) 2.379 3.703 ( 2.655 -2.431 0.000) 3.600 3.703 ( 2.655 2.431 0.000) 3.600 3.747 ( -1.874 -2.402 0.000) 3.046 3.747 ( -1.874 2.402 0.000) 3.046 3.939 ( 0.881 -2.488 0.000) 2.640 3.939 ( 0.881 2.488 0.000) 2.640 3.973 ( -2.296 -1.194 0.000) 2.588 3.973 ( -2.296 1.194 0.000) 2.588 4.173 ( 4.451 -1.535 0.000) 4.708 4.173 ( 4.451 1.535 0.000) 4.708 4.246 ( -3.603 -1.866 0.000) 4.057 4.246 ( -3.603 1.866 0.000) 4.057 4.458 ( 2.493 -2.510 0.000) 3.538 4.458 ( 2.493 2.510 0.000) 3.538 4.503 ( -2.378 -1.846 0.000) 3.011 4.503 ( -2.378 1.846 0.000) 3.011 4.712 ( 0.076 -0.148 0.000) 0.167 4.712 ( 0.076 0.148 0.000) 0.167 4.712 ( 0.017 -0.144 0.000) 0.145 4.712 ( 0.017 0.144 0.000) 0.145 4.742 ( -0.010 -2.438 0.000) 2.438 4.742 ( -0.010 2.438 0.000) 2.438 4.744 ( -0.201 -1.783 0.000) 1.795 4.744 ( -0.201 1.783 0.000) 1.795 4.867 ( 0.158 -2.546 0.000) 2.551 4.867 ( 0.158 2.546 0.000) 2.551 4.867 ( 0.153 -2.523 0.000) 2.528 4.867 ( 0.153 2.523 0.000) 2.528 5.193 ( 0.504 -1.719 0.000) 1.792 5.193 ( 0.504 1.719 0.000) 1.792 5.201 ( -0.369 -3.551 0.000) 3.570 5.201 ( -0.369 3.551 0.000) 3.570 5.274 ( 1.375 -1.434 0.000) 1.987 5.274 ( 1.375 1.434 0.000) 1.987 5.297 ( -1.130 -1.043 0.000) 1.538 5.297 ( -1.130 1.043 0.000) 1.538======================= Grid point 15 (7/30) =======================q-point: ( 0.00 0.00 0.12)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.227 ( 0.000 0.000 12.118) 12.118 0.299 ( 0.000 0.000 15.194) 15.194 0.483 ( 0.000 0.000 23.970) 23.970 0.573 ( 0.000 0.000 6.202) 6.202 0.610 ( 0.000 0.000 13.340) 13.340 0.738 ( 0.000 0.000 -1.892) 1.892 0.909 ( 0.000 0.000 2.646) 2.646 0.922 ( 0.000 0.000 2.776) 2.776 0.923 ( 0.000 0.000 2.920) 2.920 0.958 ( 0.000 0.000 2.998) 2.998 0.980 ( 0.000 0.000 6.444) 6.444 1.070 ( 0.000 0.000 2.935) 2.935 1.104 ( 0.000 0.000 5.343) 5.343 1.125 ( 0.000 0.000 -1.033) 1.033 1.154 ( 0.000 0.000 2.001) 2.001 1.179 ( 0.000 0.000 -0.250) 0.250 1.193 ( 0.000 0.000 -0.241) 0.241 1.220 ( 0.000 0.000 0.237) 0.237 1.272 ( 0.000 0.000 0.566) 0.566 1.285 ( 0.000 0.000 -1.564) 1.564 1.355 ( 0.000 0.000 0.451) 0.451 1.387 ( 0.000 0.000 -2.319) 2.319 1.456 ( 0.000 0.000 -1.664) 1.664 1.537 ( 0.000 0.000 -1.714) 1.714 1.559 ( 0.000 0.000 -0.399) 0.399 1.573 ( 0.000 0.000 1.614) 1.614 1.611 ( 0.000 0.000 -0.760) 0.760 1.627 ( 0.000 0.000 -1.338) 1.338 1.631 ( 0.000 0.000 -2.143) 2.143 1.652 ( 0.000 0.000 -2.102) 2.102 1.670 ( 0.000 0.000 1.362) 1.362 1.676 ( 0.000 0.000 -1.168) 1.168 1.693 ( 0.000 0.000 0.885) 0.885 1.697 ( 0.000 0.000 1.282) 1.282 1.801 ( 0.000 0.000 -2.789) 2.789 1.825 ( 0.000 0.000 0.896) 0.896 1.907 ( 0.000 0.000 2.469) 2.469 1.930 ( 0.000 0.000 0.880) 0.880 1.971 ( 0.000 0.000 0.182) 0.182 2.029 ( 0.000 0.000 -2.117) 2.117 2.042 ( 0.000 0.000 -2.419) 2.419 2.048 ( 0.000 0.000 -0.756) 0.756 2.076 ( 0.000 0.000 -0.732) 0.732 2.082 ( 0.000 0.000 0.820) 0.820 2.099 ( 0.000 0.000 -0.650) 0.650 2.115 ( 0.000 0.000 -1.524) 1.524 2.119 ( 0.000 0.000 -0.612) 0.612 2.155 ( 0.000 0.000 0.398) 0.398 2.169 ( 0.000 0.000 0.229) 0.229 2.218 ( 0.000 0.000 2.146) 2.146 2.228 ( 0.000 0.000 1.560) 1.560 2.229 ( 0.000 0.000 -1.678) 1.678 2.248 ( 0.000 0.000 0.909) 0.909 2.268 ( 0.000 0.000 -0.998) 0.998 2.324 ( 0.000 0.000 -3.945) 3.945 2.372 ( 0.000 0.000 -2.659) 2.659 2.373 ( 0.000 0.000 1.709) 1.709 2.382 ( 0.000 0.000 -1.242) 1.242 2.470 ( 0.000 0.000 -2.273) 2.273 2.488 ( 0.000 0.000 3.302) 3.302 2.498 ( 0.000 0.000 -0.730) 0.730 2.532 ( 0.000 0.000 6.655) 6.655 2.566 ( 0.000 0.000 4.078) 4.078 2.586 ( 0.000 0.000 0.219) 0.219 2.614 ( 0.000 0.000 -0.484) 0.484 2.645 ( 0.000 0.000 0.967) 0.967 2.653 ( 0.000 0.000 -5.788) 5.788 2.657 ( 0.000 0.000 1.285) 1.285 2.746 ( 0.000 0.000 1.472) 1.472 2.748 ( 0.000 0.000 -1.220) 1.220 2.814 ( 0.000 0.000 -0.172) 0.172 2.816 ( 0.000 0.000 -2.824) 2.824 2.832 ( 0.000 0.000 2.609) 2.609 2.870 ( 0.000 0.000 3.448) 3.448 2.947 ( 0.000 0.000 1.304) 1.304 2.962 ( 0.000 0.000 -0.530) 0.530 2.974 ( 0.000 0.000 -1.752) 1.752 2.977 ( 0.000 0.000 -1.044) 1.044 2.998 ( 0.000 0.000 0.435) 0.435 3.048 ( 0.000 0.000 1.210) 1.210 3.070 ( 0.000 0.000 -2.266) 2.266 3.077 ( 0.000 0.000 -1.071) 1.071 3.081 ( 0.000 0.000 -1.580) 1.580 3.090 ( 0.000 0.000 -1.983) 1.983 3.100 ( 0.000 0.000 0.677) 0.677 3.143 ( 0.000 0.000 -0.825) 0.825 3.164 ( 0.000 0.000 2.707) 2.707 3.206 ( 0.000 0.000 -4.775) 4.775 3.228 ( 0.000 0.000 0.425) 0.425 3.272 ( 0.000 0.000 0.549) 0.549 3.272 ( 0.000 0.000 0.750) 0.750 3.381 ( 0.000 0.000 -1.773) 1.773 3.445 ( 0.000 0.000 2.423) 2.423 3.466 ( 0.000 0.000 0.772) 0.772 3.506 ( 0.000 0.000 -0.058) 0.058 3.542 ( 0.000 0.000 -1.023) 1.023 3.550 ( 0.000 0.000 1.933) 1.933 3.666 ( 0.000 0.000 0.421) 0.421 3.715 ( 0.000 0.000 0.198) 0.198 3.808 ( 0.000 0.000 0.677) 0.677 3.895 ( 0.000 0.000 0.691) 0.691 4.020 ( 0.000 0.000 -0.999) 0.999 4.027 ( 0.000 0.000 0.570) 0.570 4.069 ( 0.000 0.000 1.059) 1.059 4.085 ( 0.000 0.000 1.366) 1.366 4.155 ( 0.000 0.000 0.064) 0.064 4.199 ( 0.000 0.000 -0.589) 0.589 4.316 ( 0.000 0.000 -1.802) 1.802 4.335 ( 0.000 0.000 -1.365) 1.365 4.369 ( 0.000 0.000 -1.313) 1.313 4.504 ( 0.000 0.000 0.658) 0.658 4.571 ( 0.000 0.000 -0.204) 0.204 4.637 ( 0.000 0.000 -1.252) 1.252 4.668 ( 0.000 0.000 -1.631) 1.631 4.707 ( 0.000 0.000 -0.222) 0.222 4.708 ( 0.000 0.000 0.062) 0.062 4.723 ( 0.000 0.000 0.266) 0.266 4.760 ( 0.000 0.000 -1.131) 1.131 4.785 ( 0.000 0.000 -2.129) 2.129 4.794 ( 0.000 0.000 -0.950) 0.950 4.828 ( 0.000 0.000 1.907) 1.907 4.923 ( 0.000 0.000 0.411) 0.411 4.925 ( 0.000 0.000 0.648) 0.648 5.034 ( 0.000 0.000 2.039) 2.039 5.096 ( 0.000 0.000 -0.182) 0.182 5.143 ( 0.000 0.000 0.625) 0.625 5.192 ( 0.000 0.000 -0.013) 0.013 5.219 ( 0.000 0.000 -0.259) 0.259 5.271 ( 0.000 0.000 -1.537) 1.537 5.284 ( 0.000 0.000 -0.596) 0.596 5.313 ( 0.000 0.000 -1.608) 1.608 5.338 ( 0.000 0.000 -1.570) 1.570======================= Grid point 16 (8/30) =======================q-point: ( 0.33 0.00 0.12)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.351 ( 10.502 0.000 8.624) 13.589 0.374 ( 7.494 0.000 11.683) 13.880 0.508 ( -6.921 0.000 7.683) 10.341 0.518 ( -8.227 0.000 9.821) 12.812 0.570 ( 8.670 0.000 18.290) 20.241 0.718 ( -5.632 0.000 6.393) 8.520 0.908 ( -0.032 0.000 2.531) 2.532 0.914 ( -0.695 0.000 2.706) 2.794 0.916 ( 1.055 0.000 3.626) 3.776 0.955 ( -2.430 0.000 4.235) 4.882 0.975 ( 2.211 0.000 2.940) 3.678 1.030 ( -3.699 0.000 2.809) 4.644 1.128 ( 1.875 0.000 3.839) 4.273 1.149 ( 2.763 0.000 -0.734) 2.859 1.150 ( -0.603 0.000 2.406) 2.481 1.195 ( -1.470 0.000 -0.674) 1.617 1.210 ( 1.843 0.000 -0.335) 1.874 1.234 ( 2.916 0.000 0.539) 2.965 1.252 ( -2.828 0.000 -0.664) 2.905 1.272 ( -0.669 0.000 0.267) 0.721 1.360 ( 0.878 0.000 -0.343) 0.942 1.380 ( -0.986 0.000 -1.544) 1.832 1.462 ( 1.252 0.000 -0.882) 1.532 1.504 ( -3.078 0.000 -0.443) 3.110 1.561 ( 0.804 0.000 -0.470) 0.931 1.575 ( -0.497 0.000 -0.110) 0.509 1.624 ( 0.951 0.000 -0.904) 1.312 1.631 ( 0.001 0.000 -1.210) 1.210 1.640 ( 0.956 0.000 -1.800) 2.038 1.650 ( -0.324 0.000 -2.142) 2.167 1.663 ( -0.126 0.000 1.085) 1.092 1.678 ( -1.382 0.000 0.373) 1.431 1.682 ( 0.712 0.000 -0.538) 0.892 1.693 ( -0.275 0.000 0.475) 0.549 1.813 ( 1.406 0.000 -0.414) 1.466 1.836 ( -0.460 0.000 -0.419) 0.622 1.910 ( 0.811 0.000 0.719) 1.084 1.930 ( -0.960 0.000 0.765) 1.228 1.976 ( 1.703 0.000 -0.010) 1.703 2.012 ( -2.035 0.000 0.294) 2.056 2.052 ( 1.149 0.000 -2.983) 3.196 2.056 ( 1.006 0.000 -0.269) 1.041 2.077 ( -0.810 0.000 -0.723) 1.086 2.079 ( -2.363 0.000 -1.272) 2.683 2.098 ( 0.406 0.000 -0.276) 0.491 2.109 ( -0.532 0.000 -2.618) 2.672 2.115 ( 2.956 0.000 0.978) 3.113 2.164 ( -2.073 0.000 1.174) 2.383 2.173 ( 1.528 0.000 1.316) 2.016 2.201 ( -1.575 0.000 2.006) 2.550 2.213 ( 0.571 0.000 0.539) 0.786 2.230 ( -0.546 0.000 0.008) 0.546 2.252 ( 0.096 0.000 -0.679) 0.686 2.260 ( -0.587 0.000 0.064) 0.590 2.316 ( 1.058 0.000 -1.250) 1.637 2.348 ( -0.317 0.000 0.742) 0.806 2.360 ( -2.989 0.000 -0.478) 3.027 2.368 ( -1.712 0.000 1.633) 2.366 2.475 ( 1.504 0.000 -1.354) 2.024 2.491 ( 3.000 0.000 -1.676) 3.437 2.510 ( -1.907 0.000 0.227) 1.920 2.551 ( 2.147 0.000 4.120) 4.646 2.560 ( -3.903 0.000 -1.883) 4.334 2.574 ( -0.259 0.000 2.714) 2.726 2.599 ( -0.671 0.000 -0.967) 1.177 2.624 ( -2.486 0.000 1.721) 3.024 2.627 ( 5.460 0.000 1.644) 5.703 2.708 ( -1.035 0.000 0.300) 1.078 2.757 ( 1.474 0.000 1.242) 1.927 2.774 ( 0.913 0.000 -1.341) 1.623 2.786 ( 1.123 0.000 0.482) 1.222 2.811 ( -0.245 0.000 1.729) 1.747 2.827 ( -0.641 0.000 -2.092) 2.188 2.851 ( -3.438 0.000 3.097) 4.627 2.943 ( 0.522 0.000 0.138) 0.540 2.964 ( -1.244 0.000 -0.147) 1.252 2.968 ( 0.322 0.000 -0.819) 0.880 2.974 ( -0.181 0.000 -1.135) 1.149 3.044 ( 2.723 0.000 -2.454) 3.666 3.055 ( 1.407 0.000 -1.473) 2.037 3.072 ( -0.190 0.000 -1.458) 1.471 3.077 ( -0.097 0.000 -2.762) 2.764 3.083 ( -1.396 0.000 -1.705) 2.204 3.096 ( -1.733 0.000 -2.797) 3.290 3.116 ( 2.586 0.000 2.695) 3.735 3.119 ( 2.114 0.000 0.192) 2.122 3.152 ( -1.421 0.000 2.973) 3.295 3.181 ( -3.968 0.000 -0.791) 4.047 3.230 ( 0.561 0.000 0.798) 0.975 3.248 ( -1.454 0.000 2.153) 2.598 3.302 ( 4.242 0.000 -1.582) 4.527 3.366 ( -2.660 0.000 -2.461) 3.624 3.451 ( 0.603 0.000 0.523) 0.798 3.458 ( -0.157 0.000 1.452) 1.460 3.545 ( 1.185 0.000 -2.086) 2.399 3.554 ( 0.514 0.000 -1.870) 1.939 3.585 ( 3.664 0.000 1.430) 3.934 3.656 ( -3.908 0.000 0.295) 3.919 3.708 ( 3.425 0.000 1.342) 3.679 3.787 ( -4.488 0.000 0.811) 4.561 3.917 ( 4.275 0.000 0.177) 4.278 3.994 ( -3.610 0.000 -0.483) 3.642 4.049 ( 0.921 0.000 0.372) 0.993 4.070 ( -1.596 0.000 1.276) 2.043 4.103 ( 3.427 0.000 0.221) 3.434 4.163 ( -3.322 0.000 -0.411) 3.348 4.214 ( 5.877 0.000 -1.126) 5.984 4.302 ( -3.796 0.000 -1.387) 4.041 4.339 ( 1.786 0.000 -1.615) 2.408 4.362 ( -0.867 0.000 -1.401) 1.648 4.531 ( 2.171 0.000 -0.093) 2.173 4.561 ( -1.202 0.000 -0.049) 1.203 4.644 ( 0.707 0.000 -1.303) 1.483 4.659 ( -0.906 0.000 -1.472) 1.729 4.707 ( 0.116 0.000 -0.178) 0.213 4.709 ( -0.049 0.000 0.001) 0.049 4.729 ( 1.015 0.000 0.714) 1.241 4.766 ( -3.199 0.000 0.816) 3.301 4.768 ( 0.820 0.000 -1.434) 1.652 4.781 ( -0.527 0.000 -1.913) 1.984 4.826 ( -0.139 0.000 2.037) 2.042 4.833 ( -1.848 0.000 3.337) 3.815 4.986 ( 2.344 0.000 0.332) 2.368 5.027 ( -3.110 0.000 1.866) 3.627 5.052 ( 2.047 0.000 1.727) 2.678 5.099 ( -3.269 0.000 1.061) 3.437 5.232 ( 2.798 0.000 -0.260) 2.810 5.235 ( 1.836 0.000 -0.503) 1.904 5.271 ( -1.600 0.000 -0.510) 1.679 5.274 ( -2.453 0.000 -0.861) 2.599 5.331 ( 2.222 0.000 -3.395) 4.057 5.350 ( -0.074 0.000 -2.456) 2.457======================= Grid point 18 (9/30) =======================q-point: ( 0.00 0.25 0.12)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.355 ( 0.000 10.034 7.441) 12.492 0.381 ( 0.000 9.701 8.443) 12.861 0.599 ( 0.000 2.796 5.750) 6.394 0.685 ( 0.000 5.365 10.233) 11.554 0.699 ( 0.000 13.461 16.085) 20.975 0.716 ( 0.000 -2.077 -0.080) 2.079 0.824 ( 0.000 -6.962 3.345) 7.723 0.860 ( 0.000 -6.417 3.708) 7.412 0.922 ( 0.000 0.895 3.559) 3.670 0.962 ( 0.000 -0.913 6.259) 6.325 0.977 ( 0.000 2.005 3.304) 3.865 1.023 ( 0.000 -3.704 1.545) 4.014 1.056 ( 0.000 -3.595 -1.314) 3.827 1.130 ( 0.000 -3.202 0.630) 3.264 1.166 ( 0.000 3.860 2.148) 4.418 1.186 ( 0.000 -0.616 -1.400) 1.530 1.226 ( 0.000 -2.335 2.071) 3.121 1.231 ( 0.000 3.498 0.689) 3.565 1.283 ( 0.000 0.722 -0.601) 0.939 1.293 ( 0.000 0.613 0.594) 0.853 1.362 ( 0.000 1.394 -0.201) 1.409 1.377 ( 0.000 -0.853 -1.200) 1.472 1.413 ( 0.000 -2.167 -0.214) 2.178 1.468 ( 0.000 -5.277 -0.861) 5.347 1.595 ( 0.000 2.834 0.666) 2.911 1.614 ( 0.000 2.382 1.081) 2.616 1.618 ( 0.000 2.217 -0.575) 2.290 1.637 ( 0.000 0.526 -1.745) 1.823 1.659 ( 0.000 0.776 -2.058) 2.200 1.667 ( 0.000 1.004 0.293) 1.046 1.678 ( 0.000 3.321 -0.084) 3.322 1.697 ( 0.000 3.755 -2.818) 4.695 1.789 ( 0.000 5.277 -0.400) 5.292 1.822 ( 0.000 1.839 -1.775) 2.556 1.823 ( 0.000 0.224 0.275) 0.355 1.908 ( 0.000 5.880 -3.242) 6.715 1.920 ( 0.000 1.330 0.720) 1.512 1.931 ( 0.000 -0.596 1.342) 1.468 1.948 ( 0.000 -1.712 -0.193) 1.723 1.962 ( 0.000 -3.211 -2.043) 3.806 1.979 ( 0.000 -4.732 -1.798) 5.062 2.008 ( 0.000 -1.050 -1.384) 1.737 2.043 ( 0.000 -1.835 -0.060) 1.836 2.049 ( 0.000 -2.121 -1.795) 2.779 2.056 ( 0.000 -4.440 1.459) 4.673 2.086 ( 0.000 -3.121 1.130) 3.319 2.112 ( 0.000 -0.778 0.829) 1.137 2.152 ( 0.000 -0.735 1.700) 1.852 2.161 ( 0.000 -1.117 0.808) 1.378 2.212 ( 0.000 -0.066 -0.051) 0.083 2.231 ( 0.000 -1.142 -1.139) 1.612 2.252 ( 0.000 0.752 -1.291) 1.495 2.272 ( 0.000 -2.016 1.471) 2.496 2.277 ( 0.000 -1.526 -2.787) 3.177 2.301 ( 0.000 4.329 -0.184) 4.333 2.312 ( 0.000 1.793 0.231) 1.808 2.368 ( 0.000 0.924 0.203) 0.947 2.404 ( 0.000 -0.968 -4.572) 4.674 2.452 ( 0.000 -2.878 1.979) 3.493 2.456 ( 0.000 0.516 0.395) 0.650 2.523 ( 0.000 0.157 -0.286) 0.327 2.524 ( 0.000 -0.341 5.356) 5.367 2.570 ( 0.000 2.218 -0.723) 2.333 2.589 ( 0.000 -1.016 2.962) 3.131 2.598 ( 0.000 -2.530 3.230) 4.103 2.623 ( 0.000 1.272 1.472) 1.945 2.691 ( 0.000 3.807 -2.762) 4.703 2.713 ( 0.000 -2.249 -0.686) 2.352 2.749 ( 0.000 -1.062 1.239) 1.632 2.754 ( 0.000 -2.468 -0.930) 2.637 2.760 ( 0.000 3.577 0.328) 3.592 2.781 ( 0.000 -0.883 -1.846) 2.046 2.859 ( 0.000 0.524 -1.218) 1.326 2.910 ( 0.000 1.638 -0.216) 1.652 2.926 ( 0.000 0.422 -2.964) 2.994 2.944 ( 0.000 1.173 0.721) 1.377 2.972 ( 0.000 0.201 0.482) 0.522 3.004 ( 0.000 -1.222 -0.487) 1.316 3.014 ( 0.000 -2.465 -1.563) 2.918 3.029 ( 0.000 1.293 2.735) 3.025 3.063 ( 0.000 -2.075 -2.172) 3.004 3.079 ( 0.000 0.620 -1.524) 1.645 3.080 ( 0.000 -0.836 -0.593) 1.025 3.120 ( 0.000 2.169 -1.070) 2.418 3.136 ( 0.000 3.010 0.942) 3.154 3.184 ( 0.000 3.588 -0.062) 3.588 3.198 ( 0.000 0.418 -0.739) 0.849 3.221 ( 0.000 0.555 -0.502) 0.748 3.232 ( 0.000 0.750 -0.460) 0.880 3.257 ( 0.000 -1.352 0.308) 1.387 3.333 ( 0.000 3.159 -0.574) 3.211 3.367 ( 0.000 -1.237 -1.393) 1.863 3.417 ( 0.000 -1.958 3.125) 3.688 3.453 ( 0.000 -0.595 -0.545) 0.807 3.475 ( 0.000 -2.367 -0.907) 2.535 3.504 ( 0.000 -2.140 0.561) 2.212 3.610 ( 0.000 3.822 1.199) 4.006 3.688 ( 0.000 1.405 0.231) 1.424 3.733 ( 0.000 1.419 0.431) 1.483 3.796 ( 0.000 -1.160 0.638) 1.323 3.923 ( 0.000 1.076 -0.252) 1.105 3.988 ( 0.000 -2.396 1.010) 2.601 4.017 ( 0.000 -0.614 -0.604) 0.862 4.036 ( 0.000 -2.916 1.726) 3.388 4.097 ( 0.000 1.653 0.524) 1.734 4.146 ( 0.000 -0.683 -0.020) 0.683 4.234 ( 0.000 2.208 -0.543) 2.273 4.298 ( 0.000 -0.912 -0.776) 1.197 4.368 ( 0.000 2.245 -1.908) 2.946 4.441 ( 0.000 2.378 -4.071) 4.714 4.499 ( 0.000 -0.249 -0.430) 0.497 4.526 ( 0.000 -2.798 -1.181) 3.037 4.669 ( 0.000 2.524 -0.989) 2.710 4.696 ( 0.000 1.533 -1.257) 1.982 4.708 ( 0.000 0.340 -0.338) 0.480 4.710 ( 0.000 0.145 0.061) 0.157 4.723 ( 0.000 0.089 0.338) 0.349 4.753 ( 0.000 -0.630 -1.211) 1.365 4.763 ( 0.000 -2.053 -0.909) 2.245 4.794 ( 0.000 -1.734 -0.068) 1.736 4.842 ( 0.000 1.276 1.758) 2.173 4.848 ( 0.000 -1.629 3.822) 4.154 4.910 ( 0.000 -1.341 0.781) 1.552 4.941 ( 0.000 -3.831 2.087) 4.363 5.112 ( 0.000 4.089 0.884) 4.184 5.188 ( 0.000 0.884 0.178) 0.901 5.191 ( 0.000 -0.166 -0.019) 0.167 5.228 ( 0.000 0.834 -0.600) 1.028 5.258 ( 0.000 -1.335 -1.289) 1.855 5.275 ( 0.000 -0.956 -0.564) 1.110 5.295 ( 0.000 -0.548 -1.237) 1.353 5.316 ( 0.000 -1.601 -1.427) 2.145======================= Grid point 19 (10/30) =======================q-point: ( 0.33 0.25 0.12)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.420 ( 6.176 6.211 7.925) 11.812 0.454 ( 7.160 8.674 6.082) 12.787 0.539 ( -5.882 3.659 6.929) 9.798 0.592 ( -7.349 5.885 6.608) 11.502 0.734 ( 2.963 8.095 11.907) 14.700 0.753 ( 1.109 -0.276 4.907) 5.038 0.832 ( 1.584 -3.681 3.802) 5.524 0.869 ( -0.795 -3.491 4.393) 5.667 0.935 ( 0.986 0.244 4.887) 4.992 0.961 ( 0.030 -1.897 6.558) 6.827 0.970 ( -0.561 3.138 2.695) 4.175 0.993 ( -2.327 -1.164 0.864) 2.742 1.073 ( 1.946 -4.350 -0.719) 4.820 1.111 ( -2.047 -3.839 0.280) 4.360 1.156 ( 0.683 1.612 1.909) 2.591 1.187 ( -1.852 0.834 0.925) 2.233 1.227 ( 0.413 -2.129 0.893) 2.345 1.231 ( 0.049 1.169 0.662) 1.345 1.271 ( -0.023 0.645 -0.736) 0.979 1.286 ( -0.906 0.511 -0.024) 1.040 1.368 ( 0.686 0.972 -0.370) 1.246 1.378 ( -0.211 -0.179 -0.802) 0.848 1.429 ( 1.591 -2.844 -0.308) 3.273 1.456 ( -1.313 -4.525 -0.689) 4.762 1.587 ( -0.117 2.711 1.102) 2.929 1.598 ( -1.261 2.953 1.484) 3.538 1.624 ( 0.663 1.315 -1.464) 2.076 1.637 ( -0.521 1.199 -1.620) 2.081 1.674 ( 0.538 2.525 -0.132) 2.585 1.678 ( 0.131 2.847 0.013) 2.850 1.680 ( 1.628 1.100 -1.582) 2.523 1.698 ( -0.233 2.627 -2.439) 3.592 1.783 ( -0.385 4.619 -0.444) 4.656 1.789 ( -1.327 3.477 -0.791) 3.805 1.855 ( 1.693 1.122 -0.461) 2.083 1.885 ( -1.831 4.047 -0.927) 4.538 1.920 ( -0.062 1.560 -1.184) 1.959 1.925 ( -0.640 -0.500 -0.177) 0.832 1.956 ( 0.833 -3.136 -0.506) 3.284 1.965 ( -0.121 -3.640 -1.218) 3.841 1.990 ( 1.620 -2.538 -1.317) 3.286 2.017 ( 0.258 -0.828 -0.329) 0.927 2.026 ( -1.366 -2.855 -0.459) 3.198 2.037 ( -1.209 -3.456 0.514) 3.697 2.064 ( 1.124 -2.743 -0.691) 3.044 2.082 ( -0.737 -3.380 0.554) 3.504 2.120 ( 0.467 -1.020 1.007) 1.508 2.129 ( -0.918 -1.190 0.821) 1.713 2.192 ( 1.773 -0.371 1.066) 2.102 2.210 ( -0.363 0.228 0.110) 0.443 2.239 ( 0.066 -0.713 -1.155) 1.359 2.241 ( -0.760 -0.198 -1.410) 1.614 2.262 ( 0.542 -0.755 -0.109) 0.936 2.286 ( 1.100 0.740 0.331) 1.367 2.297 ( -1.235 2.736 0.605) 3.062 2.311 ( -0.529 2.659 0.650) 2.788 2.377 ( 0.908 0.401 -1.077) 1.465 2.388 ( -1.265 1.040 0.488) 1.709 2.444 ( 0.844 -2.229 -2.363) 3.356 2.473 ( -2.896 -0.060 0.122) 2.899 2.488 ( 1.551 -2.765 1.201) 3.390 2.521 ( -1.219 -0.978 2.375) 2.843 2.575 ( 0.728 -0.243 0.721) 1.053 2.588 ( -0.809 -1.602 3.201) 3.669 2.617 ( 1.705 1.140 0.073) 2.052 2.644 ( 1.715 1.661 3.399) 4.153 2.672 ( -1.060 3.347 -3.007) 4.622 2.705 ( -2.299 -1.177 -1.092) 2.804 2.739 ( 0.724 1.422 -0.060) 1.597 2.757 ( 2.485 -2.163 -0.770) 3.383 2.765 ( -0.581 -0.441 0.310) 0.793 2.800 ( -1.540 -0.954 -0.431) 1.862 2.873 ( 1.230 1.510 0.412) 1.991 2.891 ( 0.651 2.375 0.450) 2.503 2.915 ( -0.418 -0.889 -2.450) 2.639 2.943 ( -2.135 1.825 0.813) 2.924 2.973 ( 0.854 -0.716 -0.684) 1.307 2.993 ( -0.112 0.715 -0.141) 0.737 3.011 ( 0.665 -2.040 -2.063) 2.976 3.038 ( -1.981 -1.213 -1.519) 2.776 3.078 ( -0.010 0.823 -1.216) 1.468 3.082 ( -0.277 1.741 -0.674) 1.887 3.093 ( 3.452 -0.194 0.200) 3.464 3.138 ( 3.253 1.097 0.264) 3.444 3.155 ( 0.352 2.952 -0.392) 2.999 3.173 ( -1.144 2.690 -1.548) 3.308 3.187 ( -1.313 1.253 0.988) 2.067 3.212 ( 0.580 0.713 0.547) 1.069 3.225 ( -0.734 0.202 1.447) 1.634 3.253 ( -3.918 1.255 0.773) 4.185 3.299 ( 1.712 0.162 -0.848) 1.917 3.349 ( -2.272 -1.188 -1.854) 3.164 3.422 ( 0.524 -1.866 1.295) 2.331 3.434 ( -0.911 -1.110 -0.114) 1.440 3.498 ( 1.055 -3.230 -0.901) 3.515 3.508 ( -0.022 -3.200 -0.019) 3.200 3.638 ( 3.004 3.815 1.025) 4.963 3.692 ( -2.510 2.824 0.332) 3.793 3.722 ( 2.543 0.812 0.997) 2.849 3.785 ( -3.381 -0.653 0.628) 3.500 3.918 ( 2.645 0.448 0.538) 2.736 3.982 ( -3.340 -1.142 -0.012) 3.530 4.012 ( 0.777 -2.759 0.608) 2.930 4.028 ( -0.992 -2.888 1.310) 3.323 4.134 ( 3.549 2.043 -0.058) 4.095 4.186 ( 0.883 0.695 -0.838) 1.402 4.207 ( 0.633 0.542 -0.043) 0.835 4.273 ( -3.251 -1.499 -0.726) 3.652 4.385 ( 1.946 2.973 -1.965) 4.060 4.421 ( -1.984 3.345 -2.877) 4.838 4.508 ( 0.993 -1.924 -0.487) 2.219 4.523 ( -0.528 -2.432 -0.998) 2.681 4.676 ( 0.679 2.376 -1.033) 2.678 4.689 ( -0.754 1.984 -1.165) 2.421 4.708 ( 0.176 0.144 -0.187) 0.294 4.712 ( -0.085 0.279 -0.007) 0.292 4.725 ( 0.630 -0.326 0.641) 0.956 4.749 ( -1.860 -1.463 1.168) 2.639 4.759 ( 0.559 -0.903 -1.380) 1.741 4.770 ( -1.027 -1.212 -1.128) 1.949 4.838 ( -0.096 1.100 2.030) 2.311 4.840 ( -0.191 1.345 1.788) 2.245 4.934 ( 1.145 -3.010 1.041) 3.385 4.944 ( -0.016 -3.814 1.618) 4.143 5.122 ( 1.294 3.959 0.660) 4.217 5.154 ( -2.361 2.668 0.466) 3.593 5.221 ( 2.174 -1.028 -0.211) 2.414 5.239 ( 1.111 0.136 -0.955) 1.472 5.256 ( -0.899 -1.122 -0.220) 1.454 5.275 ( -1.789 0.125 -1.028) 2.067 5.296 ( 1.959 -1.987 -1.808) 3.325 5.317 ( -0.430 -2.160 -1.681) 2.770======================= Grid point 21 (11/30) =======================q-point: ( 0.00 -0.50 0.12)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.558 ( 0.000 -4.026 3.160) 5.118 0.558 ( 0.000 4.026 3.160) 5.118 0.649 ( 0.000 -0.269 4.078) 4.087 0.649 ( 0.000 0.269 4.078) 4.087 0.675 ( 0.000 -1.787 4.253) 4.613 0.675 ( 0.000 1.787 4.253) 4.613 0.844 ( 0.000 -6.307 8.460) 10.552 0.844 ( 0.000 6.307 8.460) 10.552 0.954 ( 0.000 -3.515 2.702) 4.434 0.954 ( 0.000 3.515 2.702) 4.434 1.002 ( 0.000 -3.669 2.823) 4.629 1.002 ( 0.000 3.669 2.823) 4.629 1.056 ( 0.000 -8.479 3.067) 9.016 1.056 ( 0.000 8.479 3.067) 9.016 1.148 ( 0.000 -1.553 0.279) 1.578 1.148 ( 0.000 1.553 0.279) 1.578 1.248 ( 0.000 -2.329 0.176) 2.335 1.248 ( 0.000 2.329 0.176) 2.335 1.292 ( 0.000 -0.141 2.474) 2.478 1.292 ( 0.000 0.141 2.474) 2.478 1.378 ( 0.000 -1.800 -0.518) 1.873 1.378 ( 0.000 1.800 -0.518) 1.873 1.396 ( 0.000 -0.831 -1.363) 1.596 1.396 ( 0.000 0.831 -1.363) 1.596 1.636 ( 0.000 -0.209 1.095) 1.115 1.636 ( 0.000 0.209 1.095) 1.115 1.658 ( 0.000 -0.478 -2.275) 2.325 1.658 ( 0.000 0.478 -2.275) 2.325 1.682 ( 0.000 -0.206 0.201) 0.288 1.682 ( 0.000 0.206 0.201) 0.288 1.720 ( 0.000 -2.237 -2.155) 3.106 1.720 ( 0.000 2.237 -2.155) 3.106 1.832 ( 0.000 -0.280 -0.069) 0.288 1.832 ( 0.000 0.280 -0.069) 0.288 1.886 ( 0.000 -2.555 0.932) 2.720 1.886 ( 0.000 2.555 0.932) 2.720 1.912 ( 0.000 -0.442 -1.285) 1.359 1.912 ( 0.000 0.442 -1.285) 1.359 1.938 ( 0.000 -2.090 -0.236) 2.103 1.938 ( 0.000 2.090 -0.236) 2.103 1.992 ( 0.000 -0.631 -1.366) 1.504 1.992 ( 0.000 0.631 -1.366) 1.504 2.021 ( 0.000 -2.462 0.105) 2.464 2.021 ( 0.000 2.462 0.105) 2.464 2.038 ( 0.000 -4.032 -1.536) 4.314 2.038 ( 0.000 4.032 -1.536) 4.314 2.073 ( 0.000 -0.086 1.113) 1.116 2.073 ( 0.000 0.086 1.113) 1.116 2.186 ( 0.000 -2.356 1.322) 2.701 2.186 ( 0.000 2.356 1.322) 2.701 2.251 ( 0.000 -0.631 -1.555) 1.678 2.251 ( 0.000 0.631 -1.555) 1.678 2.269 ( 0.000 -1.468 -0.750) 1.649 2.269 ( 0.000 1.468 -0.750) 1.649 2.334 ( 0.000 -0.026 0.690) 0.690 2.334 ( 0.000 0.026 0.690) 0.690 2.394 ( 0.000 -1.665 -2.691) 3.165 2.394 ( 0.000 1.665 -2.691) 3.165 2.456 ( 0.000 -5.505 0.260) 5.511 2.456 ( 0.000 5.505 0.260) 5.511 2.490 ( 0.000 -2.139 3.592) 4.181 2.490 ( 0.000 2.139 3.592) 4.181 2.579 ( 0.000 -0.013 3.100) 3.100 2.579 ( 0.000 0.013 3.100) 3.100 2.646 ( 0.000 -5.092 -0.992) 5.188 2.646 ( 0.000 5.092 -0.992) 5.188 2.663 ( 0.000 -2.351 1.279) 2.677 2.663 ( 0.000 2.351 1.279) 2.677 2.751 ( 0.000 -0.007 -1.591) 1.591 2.751 ( 0.000 0.007 -1.591) 1.591 2.781 ( 0.000 -1.062 -2.728) 2.927 2.781 ( 0.000 1.062 -2.728) 2.927 2.913 ( 0.000 -1.694 -1.955) 2.587 2.913 ( 0.000 1.694 -1.955) 2.587 2.953 ( 0.000 -0.422 -0.920) 1.013 2.953 ( 0.000 0.422 -0.920) 1.013 2.975 ( 0.000 -0.535 0.503) 0.735 2.975 ( 0.000 0.535 0.503) 0.735 3.002 ( 0.000 -1.321 -0.604) 1.453 3.002 ( 0.000 1.321 -0.604) 1.453 3.051 ( 0.000 -1.015 1.079) 1.481 3.051 ( 0.000 1.015 1.079) 1.481 3.116 ( 0.000 -1.853 0.263) 1.872 3.116 ( 0.000 1.853 0.263) 1.872 3.194 ( 0.000 -1.518 -1.364) 2.041 3.194 ( 0.000 1.518 -1.364) 2.041 3.229 ( 0.000 -0.388 0.573) 0.692 3.229 ( 0.000 0.388 0.573) 0.692 3.241 ( 0.000 -0.680 0.134) 0.693 3.241 ( 0.000 0.680 0.134) 0.693 3.347 ( 0.000 -0.055 0.085) 0.102 3.347 ( 0.000 0.055 0.085) 0.102 3.428 ( 0.000 -2.232 0.407) 2.269 3.428 ( 0.000 2.232 0.407) 2.269 3.458 ( 0.000 -1.548 -0.124) 1.553 3.458 ( 0.000 1.548 -0.124) 1.553 3.684 ( 0.000 -2.400 0.761) 2.517 3.684 ( 0.000 2.400 0.761) 2.517 3.765 ( 0.000 -1.673 0.429) 1.727 3.765 ( 0.000 1.673 0.429) 1.727 3.945 ( 0.000 -1.499 0.549) 1.597 3.945 ( 0.000 1.499 0.549) 1.597 4.004 ( 0.000 -0.041 0.909) 0.910 4.004 ( 0.000 0.041 0.909) 0.910 4.127 ( 0.000 -1.200 0.183) 1.214 4.127 ( 0.000 1.200 0.183) 1.214 4.274 ( 0.000 -1.551 -0.726) 1.713 4.274 ( 0.000 1.551 -0.726) 1.713 4.423 ( 0.000 -2.807 -1.063) 3.002 4.423 ( 0.000 2.807 -1.063) 3.002 4.499 ( 0.000 -0.254 -2.468) 2.481 4.499 ( 0.000 0.254 -2.468) 2.481 4.706 ( 0.000 -0.094 -0.346) 0.359 4.706 ( 0.000 0.094 -0.346) 0.359 4.722 ( 0.000 -1.325 -0.369) 1.375 4.722 ( 0.000 1.325 -0.369) 1.375 4.732 ( 0.000 -0.768 -1.342) 1.547 4.732 ( 0.000 0.768 -1.342) 1.547 4.744 ( 0.000 -1.862 0.717) 1.996 4.744 ( 0.000 1.862 0.717) 1.996 4.869 ( 0.000 -0.921 1.068) 1.410 4.869 ( 0.000 0.921 1.068) 1.410 4.885 ( 0.000 -1.259 1.621) 2.053 4.885 ( 0.000 1.259 1.621) 2.053 5.180 ( 0.000 -1.486 -0.527) 1.577 5.180 ( 0.000 1.486 -0.527) 1.577 5.213 ( 0.000 -2.342 0.540) 2.403 5.213 ( 0.000 2.342 0.540) 2.403 5.250 ( 0.000 -1.234 -0.971) 1.570 5.250 ( 0.000 1.234 -0.971) 1.570 5.294 ( 0.000 -0.460 -1.320) 1.398 5.294 ( 0.000 0.460 -1.320) 1.398======================= Grid point 23 (12/30) =======================q-point: ( 0.33 -0.50 0.12)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( 2.508 -5.568 3.198) 6.894 0.581 ( 2.508 5.568 3.198) 6.894 0.630 ( -2.679 -4.618 3.116) 6.182 0.630 ( -2.679 4.618 3.116) 6.182 0.709 ( 4.361 -5.971 6.002) 9.523 0.709 ( 4.361 5.971 6.002) 9.523 0.795 ( -4.853 -6.116 7.404) 10.760 0.795 ( -4.853 6.116 7.404) 10.760 0.983 ( 2.740 -3.339 2.166) 4.832 0.983 ( 2.740 3.339 2.166) 4.832 1.012 ( 0.024 -2.537 2.088) 3.286 1.012 ( 0.024 2.537 2.088) 3.286 1.075 ( 2.172 -7.291 2.873) 8.133 1.075 ( 2.172 7.291 2.873) 8.133 1.123 ( -2.713 -3.190 1.233) 4.366 1.123 ( -2.713 3.190 1.233) 4.366 1.249 ( 0.293 -2.460 1.210) 2.757 1.249 ( 0.293 2.460 1.210) 2.757 1.267 ( -1.903 -1.463 2.388) 3.386 1.267 ( -1.903 1.463 2.388) 3.386 1.384 ( 0.485 -1.318 -0.749) 1.592 1.384 ( 0.485 1.318 -0.749) 1.592 1.392 ( -0.421 -0.945 -1.160) 1.555 1.392 ( -0.421 0.945 -1.160) 1.555 1.640 ( 0.593 -1.279 0.172) 1.420 1.640 ( 0.593 1.279 0.172) 1.420 1.654 ( -0.809 -1.159 -0.987) 1.724 1.654 ( -0.809 1.159 -0.987) 1.724 1.696 ( 1.658 -0.126 -0.562) 1.755 1.696 ( 1.658 0.126 -0.562) 1.755 1.718 ( -0.552 -1.262 -1.808) 2.273 1.718 ( -0.552 1.262 -1.808) 2.273 1.843 ( 1.233 -1.659 -0.043) 2.067 1.843 ( 1.233 1.659 -0.043) 2.067 1.870 ( -1.644 -2.731 0.444) 3.218 1.870 ( -1.644 2.731 0.444) 3.218 1.916 ( 0.539 -1.351 -0.891) 1.705 1.916 ( 0.539 1.351 -0.891) 1.705 1.930 ( -0.873 -1.600 -0.163) 1.830 1.930 ( -0.873 1.600 -0.163) 1.830 1.989 ( 0.125 -1.636 -1.445) 2.186 1.989 ( 0.125 1.636 -1.445) 2.186 2.003 ( -1.298 -2.759 -0.794) 3.151 2.003 ( -1.298 2.759 -0.794) 3.151 2.056 ( 1.171 -2.559 -0.169) 2.819 2.056 ( 1.171 2.559 -0.169) 2.819 2.070 ( -0.443 -1.517 0.772) 1.759 2.070 ( -0.443 1.517 0.772) 1.759 2.202 ( 1.578 -1.541 0.687) 2.310 2.202 ( 1.578 1.541 0.687) 2.310 2.231 ( -1.676 -0.527 -0.592) 1.854 2.231 ( -1.676 0.527 -0.592) 1.854 2.296 ( 2.322 -1.081 -0.741) 2.666 2.296 ( 2.322 1.081 -0.741) 2.666 2.329 ( -1.079 -0.461 0.362) 1.228 2.329 ( -1.079 0.461 0.362) 1.228 2.398 ( 1.053 -1.873 -1.508) 2.625 2.398 ( 1.053 1.873 -1.508) 2.625 2.434 ( -2.484 -3.535 0.299) 4.331 2.434 ( -2.484 3.535 0.299) 4.331 2.501 ( 1.618 -3.469 2.420) 4.528 2.501 ( 1.618 3.469 2.420) 4.528 2.540 ( -2.805 -2.214 2.350) 4.277 2.540 ( -2.805 2.214 2.350) 4.277 2.671 ( 2.129 -3.106 -0.573) 3.809 2.671 ( 2.129 3.106 -0.573) 3.809 2.690 ( 0.998 -2.282 1.381) 2.848 2.690 ( 0.998 2.282 1.381) 2.848 2.741 ( 0.149 -1.691 -2.680) 3.172 2.741 ( 0.149 1.691 -2.680) 3.172 2.769 ( -1.779 -2.602 -2.077) 3.775 2.769 ( -1.779 2.602 -2.077) 3.775 2.913 ( 0.715 -2.373 -1.356) 2.825 2.913 ( 0.715 2.373 -1.356) 2.825 2.938 ( -1.869 -2.026 -1.142) 2.984 2.938 ( -1.869 2.026 -1.142) 2.984 2.983 ( 1.766 -0.265 0.792) 1.953 2.983 ( 1.766 0.265 0.792) 1.953 3.007 ( -0.433 -0.938 0.336) 1.086 3.007 ( -0.433 0.938 0.336) 1.086 3.085 ( 2.974 -0.457 -0.188) 3.015 3.085 ( 2.974 0.457 -0.188) 3.015 3.141 ( -1.208 -2.367 -0.465) 2.698 3.141 ( -1.208 2.367 -0.465) 2.698 3.166 ( 1.358 -1.555 0.479) 2.119 3.166 ( 1.358 1.555 0.479) 2.119 3.215 ( -1.866 -1.457 0.678) 2.463 3.215 ( -1.866 1.457 0.678) 2.463 3.260 ( 2.037 -2.053 -0.253) 2.903 3.260 ( 2.037 2.053 -0.253) 2.903 3.312 ( -3.518 -2.498 -0.519) 4.346 3.312 ( -3.518 2.498 -0.519) 4.346 3.433 ( 0.595 -1.925 0.334) 2.042 3.433 ( 0.595 1.925 0.334) 2.042 3.448 ( -1.021 -1.448 0.016) 1.772 3.448 ( -1.021 1.448 0.016) 1.772 3.709 ( 2.565 -2.278 0.637) 3.489 3.709 ( 2.565 2.278 0.637) 3.489 3.752 ( -1.845 -2.416 0.458) 3.074 3.752 ( -1.845 2.416 0.458) 3.074 3.947 ( 1.069 -2.317 0.864) 2.694 3.947 ( 1.069 2.317 0.864) 2.694 3.982 ( -2.272 -1.030 0.939) 2.666 3.982 ( -2.272 1.030 0.939) 2.666 4.171 ( 4.151 -1.422 -0.200) 4.393 4.171 ( 4.151 1.422 -0.200) 4.393 4.240 ( -3.450 -1.772 -0.589) 3.922 4.240 ( -3.450 1.772 -0.589) 3.922 4.446 ( 2.184 -2.468 -1.297) 3.541 4.446 ( 2.184 2.468 -1.297) 3.541 4.482 ( -1.790 -1.520 -1.972) 3.066 4.482 ( -1.790 1.520 -1.972) 3.066 4.710 ( 0.489 -0.170 -0.262) 0.581 4.710 ( 0.489 0.170 -0.262) 0.581 4.719 ( -0.414 -0.625 -0.195) 0.775 4.719 ( -0.414 0.625 -0.195) 0.775 4.731 ( 0.043 -1.054 -1.033) 1.477 4.731 ( 0.043 1.054 -1.033) 1.477 4.736 ( -0.509 -0.922 -0.061) 1.055 4.736 ( -0.509 0.922 -0.061) 1.055 4.875 ( 0.584 -0.965 1.209) 1.654 4.875 ( 0.584 0.965 1.209) 1.654 4.883 ( -0.258 -1.004 1.475) 1.803 4.883 ( -0.258 1.004 1.475) 1.803 5.189 ( 0.917 -2.103 -0.307) 2.315 5.189 ( 0.917 2.103 -0.307) 2.315 5.205 ( -0.827 -2.461 0.177) 2.602 5.205 ( -0.827 2.461 0.177) 2.602 5.263 ( 1.265 -1.189 -1.009) 2.008 5.263 ( 1.265 1.189 -1.009) 2.008 5.285 ( -1.035 -0.906 -1.231) 1.845 5.285 ( -1.035 0.906 -1.231) 1.845======================= Grid point 30 (13/30) =======================q-point: ( 0.00 0.00 0.25)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.458 ( 0.000 0.000 11.991) 11.991 0.567 ( 0.000 0.000 12.635) 12.635 0.710 ( 0.000 0.000 7.375) 7.375 0.738 ( 0.000 0.000 3.188) 3.188 0.854 ( 0.000 0.000 10.279) 10.279 0.895 ( 0.000 0.000 15.354) 15.354 0.980 ( 0.000 0.000 4.577) 4.577 0.990 ( 0.000 0.000 4.092) 4.092 0.992 ( 0.000 0.000 4.100) 4.100 1.034 ( 0.000 0.000 4.236) 4.236 1.038 ( 0.000 0.000 1.721) 1.721 1.111 ( 0.000 0.000 0.098) 0.098 1.141 ( 0.000 0.000 2.883) 2.883 1.178 ( 0.000 0.000 1.501) 1.501 1.181 ( 0.000 0.000 0.574) 0.574 1.216 ( 0.000 0.000 -0.715) 0.715 1.224 ( 0.000 0.000 1.993) 1.993 1.248 ( 0.000 0.000 7.824) 7.824 1.272 ( 0.000 0.000 2.464) 2.464 1.295 ( 0.000 0.000 1.817) 1.817 1.344 ( 0.000 0.000 -1.544) 1.544 1.369 ( 0.000 0.000 1.157) 1.157 1.424 ( 0.000 0.000 -1.423) 1.423 1.501 ( 0.000 0.000 -2.093) 2.093 1.556 ( 0.000 0.000 0.176) 0.176 1.567 ( 0.000 0.000 -3.450) 3.450 1.592 ( 0.000 0.000 -1.682) 1.682 1.598 ( 0.000 0.000 -3.361) 3.361 1.606 ( 0.000 0.000 0.526) 0.526 1.613 ( 0.000 0.000 0.956) 0.956 1.659 ( 0.000 0.000 -0.603) 0.603 1.690 ( 0.000 0.000 -0.456) 0.456 1.702 ( 0.000 0.000 -0.168) 0.168 1.720 ( 0.000 0.000 1.173) 1.173 1.760 ( 0.000 0.000 0.107) 0.107 1.848 ( 0.000 0.000 1.123) 1.123 1.920 ( 0.000 0.000 -1.912) 1.912 1.923 ( 0.000 0.000 -4.281) 4.281 1.970 ( 0.000 0.000 1.667) 1.667 1.993 ( 0.000 0.000 1.753) 1.753 2.040 ( 0.000 0.000 -0.847) 0.847 2.049 ( 0.000 0.000 -1.551) 1.551 2.050 ( 0.000 0.000 0.954) 0.954 2.060 ( 0.000 0.000 -0.982) 0.982 2.080 ( 0.000 0.000 -0.098) 0.098 2.114 ( 0.000 0.000 0.713) 0.713 2.145 ( 0.000 0.000 0.768) 0.768 2.146 ( 0.000 0.000 -1.408) 1.408 2.161 ( 0.000 0.000 -0.954) 0.954 2.205 ( 0.000 0.000 -3.172) 3.172 2.210 ( 0.000 0.000 -0.509) 0.509 2.220 ( 0.000 0.000 -2.387) 2.387 2.224 ( 0.000 0.000 -2.702) 2.702 2.273 ( 0.000 0.000 -2.679) 2.679 2.280 ( 0.000 0.000 0.778) 0.778 2.339 ( 0.000 0.000 -2.503) 2.503 2.342 ( 0.000 0.000 1.464) 1.464 2.383 ( 0.000 0.000 -0.590) 0.590 2.486 ( 0.000 0.000 3.381) 3.381 2.486 ( 0.000 0.000 -0.218) 0.218 2.553 ( 0.000 0.000 -3.133) 3.133 2.554 ( 0.000 0.000 1.001) 1.001 2.595 ( 0.000 0.000 0.626) 0.626 2.600 ( 0.000 0.000 2.526) 2.526 2.655 ( 0.000 0.000 3.511) 3.511 2.660 ( 0.000 0.000 -1.213) 1.213 2.674 ( 0.000 0.000 2.166) 2.166 2.676 ( 0.000 0.000 6.857) 6.857 2.729 ( 0.000 0.000 0.049) 0.049 2.746 ( 0.000 0.000 -3.154) 3.154 2.794 ( 0.000 0.000 2.218) 2.218 2.810 ( 0.000 0.000 -0.134) 0.134 2.891 ( 0.000 0.000 2.667) 2.667 2.915 ( 0.000 0.000 1.432) 1.432 2.928 ( 0.000 0.000 -2.542) 2.542 2.947 ( 0.000 0.000 -1.111) 1.111 2.950 ( 0.000 0.000 -0.838) 0.838 2.960 ( 0.000 0.000 -0.804) 0.804 2.982 ( 0.000 0.000 -5.191) 5.191 2.985 ( 0.000 0.000 -1.739) 1.739 3.028 ( 0.000 0.000 -3.312) 3.312 3.049 ( 0.000 0.000 -1.525) 1.525 3.062 ( 0.000 0.000 0.203) 0.203 3.064 ( 0.000 0.000 -1.296) 1.296 3.115 ( 0.000 0.000 -4.368) 4.368 3.125 ( 0.000 0.000 -1.155) 1.155 3.164 ( 0.000 0.000 5.096) 5.096 3.235 ( 0.000 0.000 4.336) 4.336 3.264 ( 0.000 0.000 2.124) 2.124 3.284 ( 0.000 0.000 0.785) 0.785 3.287 ( 0.000 0.000 1.066) 1.066 3.329 ( 0.000 0.000 -3.522) 3.522 3.436 ( 0.000 0.000 -0.933) 0.933 3.488 ( 0.000 0.000 -1.402) 1.402 3.522 ( 0.000 0.000 2.802) 2.802 3.543 ( 0.000 0.000 0.811) 0.811 3.594 ( 0.000 0.000 2.392) 2.392 3.671 ( 0.000 0.000 -0.140) 0.140 3.729 ( 0.000 0.000 1.453) 1.453 3.827 ( 0.000 0.000 1.169) 1.169 3.912 ( 0.000 0.000 1.131) 1.131 4.005 ( 0.000 0.000 -0.404) 0.404 4.042 ( 0.000 0.000 1.055) 1.055 4.082 ( 0.000 0.000 -0.030) 0.030 4.119 ( 0.000 0.000 2.073) 2.073 4.152 ( 0.000 0.000 -0.444) 0.444 4.180 ( 0.000 0.000 -1.480) 1.480 4.268 ( 0.000 0.000 -2.934) 2.934 4.302 ( 0.000 0.000 -2.006) 2.006 4.330 ( 0.000 0.000 -2.741) 2.741 4.518 ( 0.000 0.000 0.753) 0.753 4.566 ( 0.000 0.000 -0.339) 0.339 4.608 ( 0.000 0.000 -1.685) 1.685 4.630 ( 0.000 0.000 -2.195) 2.195 4.701 ( 0.000 0.000 -0.311) 0.311 4.710 ( 0.000 0.000 0.018) 0.018 4.724 ( 0.000 0.000 -0.109) 0.109 4.736 ( 0.000 0.000 -1.236) 1.236 4.743 ( 0.000 0.000 -1.982) 1.982 4.770 ( 0.000 0.000 -1.508) 1.508 4.873 ( 0.000 0.000 2.481) 2.481 4.932 ( 0.000 0.000 0.432) 0.432 4.945 ( 0.000 0.000 1.470) 1.470 5.078 ( 0.000 0.000 2.439) 2.439 5.087 ( 0.000 0.000 -0.817) 0.817 5.159 ( 0.000 0.000 1.035) 1.035 5.190 ( 0.000 0.000 -0.300) 0.300 5.212 ( 0.000 0.000 -0.440) 0.440 5.236 ( 0.000 0.000 -1.854) 1.854 5.267 ( 0.000 0.000 -1.183) 1.183 5.275 ( 0.000 0.000 -2.103) 2.103 5.300 ( 0.000 0.000 -2.304) 2.304======================= Grid point 31 (14/30) =======================q-point: ( 0.33 0.00 0.25)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 39Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.525 ( 6.963 0.000 9.694) 11.935 0.601 ( 3.653 0.000 11.272) 11.849 0.657 ( -7.411 0.000 6.183) 9.651 0.672 ( -3.926 0.000 8.672) 9.519 0.893 ( 3.233 0.000 10.831) 11.304 0.927 ( 1.390 0.000 13.078) 13.152 0.975 ( -0.089 0.000 4.370) 4.371 0.976 ( -0.318 0.000 2.512) 2.532 0.982 ( -0.705 0.000 4.257) 4.315 1.014 ( -2.633 0.000 2.738) 3.799 1.050 ( 1.870 0.000 4.437) 4.815 1.099 ( -3.370 0.000 3.607) 4.936 1.136 ( 2.608 0.000 -0.046) 2.609 1.179 ( -1.310 0.000 -0.735) 1.502 1.190 ( 1.166 0.000 1.384) 1.809 1.222 ( -2.286 0.000 3.836) 4.465 1.244 ( 1.658 0.000 3.545) 3.913 1.244 ( 2.879 0.000 0.680) 2.958 1.266 ( -0.807 0.000 4.069) 4.148 1.286 ( -1.427 0.000 1.310) 1.937 1.351 ( 0.670 0.000 -0.447) 0.806 1.363 ( -0.641 0.000 0.540) 0.839 1.441 ( 2.025 0.000 -1.214) 2.361 1.481 ( -2.160 0.000 -1.664) 2.727 1.561 ( 0.790 0.000 0.075) 0.793 1.570 ( 0.035 0.000 -2.654) 2.654 1.593 ( -0.157 0.000 -2.622) 2.626 1.600 ( 0.952 0.000 -1.173) 1.511 1.603 ( -1.063 0.000 -0.200) 1.082 1.613 ( 0.023 0.000 -0.333) 0.334 1.671 ( 1.291 0.000 -0.858) 1.550 1.681 ( -0.355 0.000 0.042) 0.357 1.693 ( -1.024 0.000 -0.611) 1.192 1.694 ( -1.530 0.000 1.648) 2.249 1.799 ( 2.975 0.000 -0.330) 2.993 1.841 ( -1.510 0.000 0.389) 1.559 1.900 ( -0.136 0.000 -2.454) 2.458 1.916 ( -1.272 0.000 -2.217) 2.556 1.987 ( 1.907 0.000 1.321) 2.320 2.016 ( 1.054 0.000 0.553) 1.190 2.030 ( -1.106 0.000 0.894) 1.422 2.046 ( 0.578 0.000 -1.431) 1.543 2.056 ( -0.425 0.000 -1.369) 1.434 2.058 ( -2.031 0.000 0.025) 2.031 2.065 ( 1.776 0.000 -0.400) 1.821 2.104 ( -2.578 0.000 -0.057) 2.579 2.136 ( 2.000 0.000 0.379) 2.035 2.164 ( -0.709 0.000 -1.068) 1.282 2.166 ( 0.813 0.000 -2.134) 2.283 2.188 ( -1.905 0.000 -2.840) 3.419 2.203 ( 0.555 0.000 -1.141) 1.269 2.221 ( -0.769 0.000 -1.072) 1.319 2.236 ( 2.003 0.000 -1.619) 2.576 2.265 ( -1.122 0.000 -1.873) 2.184 2.308 ( 2.657 0.000 1.039) 2.853 2.348 ( -0.854 0.000 1.207) 1.478 2.351 ( 1.485 0.000 -0.917) 1.745 2.380 ( -1.107 0.000 -0.754) 1.340 2.471 ( 0.654 0.000 -0.469) 0.805 2.481 ( 1.198 0.000 3.031) 3.260 2.521 ( -3.800 0.000 -1.591) 4.120 2.533 ( -3.791 0.000 1.932) 4.255 2.575 ( 1.311 0.000 -1.008) 1.654 2.610 ( -2.189 0.000 0.326) 2.213 2.646 ( 1.399 0.000 5.058) 5.247 2.665 ( -0.352 0.000 2.487) 2.512 2.674 ( 3.510 0.000 3.025) 4.634 2.728 ( 0.572 0.000 -2.172) 2.246 2.733 ( -1.231 0.000 1.963) 2.317 2.742 ( -0.730 0.000 -3.353) 3.432 2.813 ( 4.019 0.000 2.381) 4.671 2.826 ( 2.524 0.000 2.351) 3.449 2.868 ( -2.267 0.000 2.978) 3.743 2.904 ( -4.008 0.000 2.105) 4.527 2.934 ( 0.790 0.000 -2.575) 2.693 2.945 ( 0.633 0.000 -0.129) 0.646 2.947 ( -0.496 0.000 -1.846) 1.911 2.956 ( -0.003 0.000 -0.626) 0.626 2.985 ( 1.148 0.000 -4.285) 4.436 3.003 ( 0.036 0.000 -3.297) 3.297 3.013 ( 0.285 0.000 -2.525) 2.541 3.043 ( -2.238 0.000 -1.971) 2.982 3.046 ( -0.215 0.000 -1.073) 1.094 3.051 ( -0.981 0.000 -1.789) 2.041 3.118 ( 2.523 0.000 -0.392) 2.553 3.155 ( 0.109 0.000 -1.265) 1.270 3.188 ( 2.269 0.000 4.301) 4.863 3.223 ( -1.493 0.000 4.114) 4.377 3.255 ( -0.601 0.000 -0.672) 0.902 3.275 ( -0.069 0.000 0.467) 0.472 3.287 ( -0.388 0.000 0.948) 1.024 3.307 ( -1.707 0.000 -2.700) 3.195 3.450 ( 1.883 0.000 0.035) 1.883 3.489 ( -2.105 0.000 0.756) 2.236 3.515 ( 1.400 0.000 -0.473) 1.478 3.540 ( -0.853 0.000 0.095) 0.859 3.619 ( 2.554 0.000 1.946) 3.211 3.663 ( -1.832 0.000 0.348) 1.865 3.742 ( 2.702 0.000 2.077) 3.409 3.806 ( -3.475 0.000 0.971) 3.608 3.925 ( 2.904 0.000 0.791) 3.010 3.986 ( -2.947 0.000 -0.221) 2.955 4.066 ( 2.087 0.000 1.340) 2.480 4.102 ( 2.424 0.000 -0.496) 2.474 4.102 ( -1.871 0.000 2.003) 2.741 4.149 ( -2.728 0.000 -1.084) 2.935 4.195 ( 4.526 0.000 -1.054) 4.647 4.271 ( -3.527 0.000 -1.806) 3.962 4.294 ( 2.030 0.000 -2.907) 3.546 4.321 ( -1.060 0.000 -2.807) 3.001 4.534 ( 1.505 0.000 0.244) 1.525 4.557 ( -1.012 0.000 -0.256) 1.044 4.613 ( 0.544 0.000 -1.779) 1.860 4.624 ( -0.616 0.000 -2.025) 2.117 4.703 ( 0.254 0.000 -0.218) 0.334 4.709 ( -0.272 0.000 -0.086) 0.285 4.732 ( 1.105 0.000 -0.314) 1.149 4.739 ( 0.284 0.000 -1.478) 1.505 4.743 ( -0.130 0.000 -1.843) 1.848 4.757 ( -1.414 0.000 -1.098) 1.790 4.873 ( 0.216 0.000 2.579) 2.588 4.888 ( -1.871 0.000 2.373) 3.022 4.996 ( 3.117 0.000 0.542) 3.164 5.049 ( -3.214 0.000 0.366) 3.235 5.090 ( 1.402 0.000 2.155) 2.571 5.124 ( -2.426 0.000 1.454) 2.828 5.223 ( 1.325 0.000 -0.717) 1.507 5.224 ( 2.316 0.000 -0.583) 2.389 5.252 ( -1.718 0.000 -1.376) 2.201 5.256 ( -1.326 0.000 -1.022) 1.674 5.269 ( 2.177 0.000 -2.814) 3.558 5.297 ( -0.819 0.000 -2.853) 2.968======================= Grid point 33 (15/30) =======================q-point: ( 0.00 0.25 0.25)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( 0.000 6.118 9.890) 11.629 0.584 ( 0.000 3.168 11.307) 11.742 0.733 ( 0.000 1.632 7.475) 7.651 0.749 ( 0.000 0.209 3.372) 3.379 0.875 ( 0.000 0.948 8.075) 8.130 0.896 ( 0.000 -7.176 4.383) 8.409 0.931 ( 0.000 -4.783 3.371) 5.851 0.980 ( 0.000 4.127 7.792) 8.818 1.001 ( 0.000 1.111 2.951) 3.153 1.034 ( 0.000 2.868 8.099) 8.592 1.045 ( 0.000 0.551 2.730) 2.785 1.070 ( 0.000 -1.709 3.547) 3.937 1.128 ( 0.000 -2.636 4.217) 4.973 1.142 ( 0.000 -2.980 0.828) 3.093 1.176 ( 0.000 -0.848 2.721) 2.850 1.212 ( 0.000 1.107 2.269) 2.525 1.239 ( 0.000 1.345 -0.100) 1.348 1.285 ( 0.000 2.068 3.224) 3.830 1.286 ( 0.000 2.687 1.857) 3.266 1.306 ( 0.000 -0.262 1.304) 1.330 1.358 ( 0.000 0.490 -0.174) 0.520 1.365 ( 0.000 -0.342 0.496) 0.602 1.412 ( 0.000 -1.355 0.245) 1.377 1.448 ( 0.000 -4.052 -1.238) 4.237 1.558 ( 0.000 0.691 -4.213) 4.270 1.587 ( 0.000 2.306 -1.920) 3.000 1.607 ( 0.000 0.041 -2.888) 2.888 1.622 ( 0.000 0.313 -0.516) 0.604 1.641 ( 0.000 2.801 -1.915) 3.393 1.650 ( 0.000 2.028 1.328) 2.424 1.680 ( 0.000 3.525 0.715) 3.597 1.689 ( 0.000 3.053 1.170) 3.270 1.755 ( 0.000 4.627 -3.869) 6.031 1.788 ( 0.000 1.907 -0.356) 1.940 1.796 ( 0.000 0.577 -2.926) 2.983 1.880 ( 0.000 2.463 -0.160) 2.468 1.919 ( 0.000 -0.028 -2.104) 2.104 1.920 ( 0.000 -0.057 -2.650) 2.651 1.956 ( 0.000 -2.704 1.346) 3.020 1.964 ( 0.000 -0.211 1.354) 1.371 1.967 ( 0.000 -3.136 -0.785) 3.233 1.975 ( 0.000 -1.278 2.350) 2.675 2.038 ( 0.000 -2.178 0.246) 2.192 2.055 ( 0.000 -0.157 0.738) 0.755 2.060 ( 0.000 -3.087 -0.763) 3.180 2.084 ( 0.000 -5.123 -1.076) 5.235 2.124 ( 0.000 -2.531 0.251) 2.544 2.164 ( 0.000 -1.320 -1.400) 1.924 2.173 ( 0.000 0.259 -1.025) 1.057 2.195 ( 0.000 1.008 -0.847) 1.317 2.202 ( 0.000 -1.575 -1.663) 2.290 2.218 ( 0.000 -1.694 -0.281) 1.717 2.243 ( 0.000 1.818 -1.415) 2.304 2.273 ( 0.000 0.928 -1.934) 2.145 2.308 ( 0.000 4.394 1.180) 4.550 2.312 ( 0.000 -1.345 -4.081) 4.297 2.352 ( 0.000 1.850 3.595) 4.043 2.354 ( 0.000 -1.403 -1.707) 2.210 2.484 ( 0.000 0.782 1.705) 1.876 2.529 ( 0.000 2.861 -0.253) 2.872 2.539 ( 0.000 -3.222 5.427) 6.311 2.571 ( 0.000 -0.002 2.481) 2.481 2.582 ( 0.000 0.818 -0.551) 0.986 2.602 ( 0.000 2.090 -0.464) 2.141 2.635 ( 0.000 -0.228 3.088) 3.096 2.651 ( 0.000 -0.929 1.631) 1.877 2.698 ( 0.000 -1.925 -0.245) 1.941 2.720 ( 0.000 1.368 1.677) 2.164 2.736 ( 0.000 -1.692 -1.268) 2.115 2.745 ( 0.000 -1.007 -0.180) 1.023 2.772 ( 0.000 -2.640 2.406) 3.572 2.788 ( 0.000 1.713 1.428) 2.230 2.833 ( 0.000 -1.693 -0.844) 1.891 2.856 ( 0.000 -1.823 -3.474) 3.923 2.913 ( 0.000 0.467 -0.581) 0.745 2.928 ( 0.000 -0.446 -2.240) 2.284 2.956 ( 0.000 -1.160 -2.343) 2.615 2.983 ( 0.000 0.931 0.302) 0.979 3.006 ( 0.000 0.332 -3.032) 3.051 3.012 ( 0.000 0.583 -0.009) 0.583 3.041 ( 0.000 -0.210 -1.261) 1.278 3.046 ( 0.000 0.708 -3.067) 3.148 3.067 ( 0.000 2.467 -0.112) 2.470 3.114 ( 0.000 2.950 -0.420) 2.980 3.144 ( 0.000 0.940 -2.087) 2.289 3.155 ( 0.000 2.440 -0.019) 2.440 3.206 ( 0.000 3.012 2.912) 4.190 3.236 ( 0.000 -0.129 0.723) 0.734 3.258 ( 0.000 -0.554 2.262) 2.328 3.267 ( 0.000 -1.634 0.841) 1.838 3.323 ( 0.000 -0.278 -2.900) 2.913 3.330 ( 0.000 3.058 0.268) 3.070 3.432 ( 0.000 -0.058 -1.000) 1.001 3.452 ( 0.000 -2.419 -1.226) 2.712 3.479 ( 0.000 -3.024 2.725) 4.071 3.521 ( 0.000 -1.738 1.055) 2.034 3.641 ( 0.000 3.430 1.815) 3.880 3.697 ( 0.000 1.777 0.561) 1.864 3.746 ( 0.000 1.161 0.944) 1.496 3.812 ( 0.000 -1.466 0.886) 1.713 3.930 ( 0.000 1.327 0.895) 1.601 4.009 ( 0.000 -0.932 0.562) 1.089 4.016 ( 0.000 -0.766 1.208) 1.430 4.073 ( 0.000 -2.925 1.987) 3.536 4.102 ( 0.000 1.349 -0.261) 1.374 4.144 ( 0.000 -0.499 -0.149) 0.521 4.215 ( 0.000 2.003 -1.473) 2.487 4.278 ( 0.000 -0.285 -1.230) 1.262 4.316 ( 0.000 2.437 -3.279) 4.085 4.371 ( 0.000 2.934 -3.565) 4.617 4.484 ( 0.000 -2.228 -1.083) 2.477 4.502 ( 0.000 -4.301 -1.422) 4.530 4.648 ( 0.000 2.642 -1.086) 2.857 4.667 ( 0.000 1.914 -1.598) 2.493 4.701 ( 0.000 -0.045 -0.469) 0.471 4.709 ( 0.000 -0.084 -0.438) 0.446 4.722 ( 0.000 -0.444 -0.405) 0.601 4.732 ( 0.000 -0.898 -1.562) 1.802 4.734 ( 0.000 0.271 -0.358) 0.449 4.777 ( 0.000 -0.049 -1.249) 1.250 4.883 ( 0.000 1.012 2.352) 2.561 4.907 ( 0.000 -1.530 2.117) 2.612 4.934 ( 0.000 -0.989 1.657) 1.929 4.984 ( 0.000 -4.348 1.991) 4.782 5.135 ( 0.000 2.194 1.480) 2.647 5.187 ( 0.000 1.626 -0.428) 1.681 5.188 ( 0.000 -0.318 -0.350) 0.473 5.213 ( 0.000 0.199 -0.853) 0.876 5.229 ( 0.000 -0.627 -1.635) 1.751 5.259 ( 0.000 -0.869 -1.100) 1.402 5.265 ( 0.000 -0.499 -1.631) 1.706 5.281 ( 0.000 -1.367 -1.994) 2.418======================= Grid point 34 (16/30) =======================q-point: ( 0.33 0.25 0.25)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( 5.278 4.796 8.420) 11.034 0.616 ( 2.957 2.909 9.965) 10.794 0.691 ( -3.923 2.113 7.501) 8.725 0.707 ( -4.187 3.084 6.700) 8.481 0.883 ( 0.644 -2.795 6.258) 6.884 0.890 ( -0.226 -5.329 4.866) 7.220 0.960 ( 2.079 -3.769 4.546) 6.261 0.983 ( 0.257 3.294 7.791) 8.462 1.004 ( -1.019 -0.657 2.006) 2.344 1.008 ( -0.804 1.862 3.354) 3.919 1.062 ( 1.575 2.838 6.305) 7.092 1.084 ( 1.874 -2.613 2.438) 4.035 1.101 ( -2.418 -0.383 4.428) 5.060 1.126 ( -2.026 -2.715 1.391) 3.662 1.201 ( 2.399 -0.809 3.757) 4.530 1.236 ( 0.774 0.226 3.368) 3.463 1.245 ( 1.166 1.040 0.579) 1.666 1.262 ( -1.150 1.709 1.740) 2.697 1.272 ( -1.238 2.001 2.736) 3.609 1.288 ( -2.051 0.212 0.775) 2.203 1.362 ( 0.503 0.302 0.109) 0.597 1.368 ( -0.015 0.043 0.145) 0.152 1.422 ( 1.055 -2.309 -0.250) 2.551 1.440 ( -0.862 -3.654 -0.946) 3.871 1.568 ( 0.962 0.948 -3.942) 4.167 1.583 ( -0.605 1.841 -3.035) 3.601 1.609 ( 0.405 0.914 -0.871) 1.326 1.620 ( -0.565 0.935 -0.392) 1.161 1.649 ( 0.692 2.431 -1.523) 2.951 1.653 ( 0.230 1.702 -0.376) 1.758 1.681 ( 0.224 3.538 0.779) 3.630 1.687 ( -0.335 3.380 0.739) 3.476 1.753 ( 0.282 4.004 -2.972) 4.995 1.770 ( -1.239 2.459 -1.434) 3.104 1.822 ( 1.977 1.098 -2.023) 3.034 1.860 ( -2.275 1.784 -0.744) 2.986 1.902 ( 0.054 0.282 -1.696) 1.720 1.914 ( -1.163 0.036 -1.539) 1.929 1.959 ( 0.182 -2.965 0.929) 3.113 1.960 ( 0.096 -3.264 0.844) 3.372 1.983 ( 1.774 -0.782 0.561) 2.018 2.004 ( 0.916 -1.605 -0.081) 1.850 2.025 ( -0.592 -1.911 0.499) 2.062 2.044 ( -1.307 -1.768 0.333) 2.224 2.066 ( 0.682 -2.789 0.263) 2.883 2.080 ( -0.606 -3.886 -0.360) 3.949 2.121 ( -0.050 -1.924 -0.853) 2.105 2.134 ( -1.638 0.135 -0.749) 1.806 2.184 ( 0.275 -1.452 -2.537) 2.936 2.190 ( -0.410 -0.940 -1.724) 2.006 2.216 ( 1.149 0.352 -0.213) 1.220 2.226 ( 0.291 0.073 -0.369) 0.476 2.247 ( 0.810 0.659 -1.584) 1.898 2.267 ( -1.063 1.396 -2.300) 2.893 2.327 ( 1.771 -2.009 -1.892) 3.279 2.332 ( 2.259 3.531 1.593) 4.485 2.346 ( -0.302 0.410 0.245) 0.565 2.366 ( -0.459 1.614 0.345) 1.714 2.465 ( -0.384 0.189 2.594) 2.629 2.494 ( -3.177 -0.853 3.085) 4.510 2.530 ( 0.655 1.915 0.088) 2.026 2.564 ( -2.860 0.610 1.894) 3.484 2.604 ( 1.094 0.037 1.323) 1.717 2.616 ( 2.510 1.764 1.137) 3.272 2.620 ( 0.954 0.396 0.535) 1.164 2.664 ( -1.288 -1.256 2.890) 3.404 2.688 ( -1.211 -1.184 1.374) 2.181 2.703 ( -1.984 -0.981 0.764) 2.341 2.731 ( 0.180 -2.718 -1.346) 3.039 2.742 ( 0.102 -1.809 -1.051) 2.095 2.763 ( 2.297 0.012 1.111) 2.552 2.809 ( -1.508 0.348 0.802) 1.743 2.847 ( 1.319 -2.916 -1.983) 3.765 2.861 ( -0.170 -2.981 -2.101) 3.651 2.909 ( 1.579 1.386 -0.119) 2.104 2.942 ( -0.843 -1.877 -2.630) 3.339 2.961 ( 1.039 1.150 -0.242) 1.569 2.982 ( -0.978 1.554 0.692) 1.962 2.990 ( 0.047 1.655 -0.624) 1.769 3.001 ( -0.750 1.033 -2.047) 2.413 3.051 ( 0.690 1.392 -1.462) 2.133 3.058 ( 0.929 2.062 -2.154) 3.123 3.080 ( 1.241 1.542 -0.676) 2.091 3.121 ( -1.231 1.315 -2.129) 2.789 3.147 ( 1.380 3.645 -0.101) 3.899 3.168 ( 0.431 2.338 0.247) 2.390 3.219 ( 1.013 0.670 2.295) 2.596 3.228 ( 1.296 0.415 0.301) 1.394 3.258 ( -0.015 -0.983 1.790) 2.042 3.270 ( -0.224 -1.334 0.843) 1.594 3.284 ( -3.614 0.947 -1.048) 3.881 3.301 ( -2.449 0.612 -1.843) 3.125 3.431 ( 0.701 -1.065 0.033) 1.276 3.453 ( -1.700 -2.134 1.339) 3.039 3.481 ( 1.884 -2.615 -0.513) 3.264 3.512 ( -1.326 -2.253 0.355) 2.638 3.664 ( 2.308 3.364 1.580) 4.375 3.700 ( -1.103 2.828 0.453) 3.069 3.749 ( 1.971 0.276 1.722) 2.632 3.799 ( -2.454 -0.946 0.730) 2.730 3.934 ( 1.926 1.082 1.214) 2.520 3.985 ( -2.873 0.013 0.454) 2.909 4.033 ( 1.621 -2.478 1.580) 3.356 4.061 ( -1.445 -2.931 2.039) 3.852 4.129 ( 2.726 1.808 -0.660) 3.337 4.169 ( 0.098 0.975 -0.938) 1.357 4.198 ( 1.048 0.393 -1.021) 1.515 4.254 ( -3.055 -1.155 -1.297) 3.514 4.334 ( 1.823 3.174 -3.198) 4.861 4.362 ( -1.124 3.139 -3.374) 4.744 4.491 ( 0.665 -2.860 -1.224) 3.181 4.500 ( -0.294 -3.852 -1.403) 4.110 4.652 ( 0.496 2.471 -1.215) 2.798 4.662 ( -0.508 2.116 -1.468) 2.625 4.703 ( 0.252 -0.077 -0.465) 0.534 4.708 ( -0.259 -0.137 -0.584) 0.653 4.730 ( 0.642 -0.300 -0.360) 0.795 4.733 ( 0.235 -0.550 -1.044) 1.203 4.734 ( 0.268 -0.346 -0.883) 0.985 4.759 ( -1.766 -0.335 -0.705) 1.931 4.883 ( -0.003 0.933 2.448) 2.620 4.888 ( -0.781 0.347 2.628) 2.763 4.960 ( 1.555 -2.495 1.448) 3.277 4.979 ( -0.680 -3.785 1.764) 4.231 5.138 ( 0.727 2.582 1.002) 2.863 5.161 ( -1.784 2.303 0.189) 2.919 5.211 ( 1.614 -1.079 -0.857) 2.123 5.219 ( 0.589 -0.385 -1.048) 1.262 5.247 ( 0.099 -0.768 -0.865) 1.161 5.252 ( -1.086 0.032 -1.170) 1.597 5.256 ( 0.912 -0.794 -2.007) 2.343 5.277 ( -0.767 -1.441 -2.251) 2.780======================= Grid point 36 (17/30) =======================q-point: ( 0.00 -0.50 0.25)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 26Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.657 ( 0.000 -2.372 6.564) 6.979 0.657 ( 0.000 2.372 6.564) 6.979 0.747 ( 0.000 -0.406 5.969) 5.982 0.747 ( 0.000 0.406 5.969) 5.982 0.784 ( 0.000 -1.569 6.484) 6.671 0.784 ( 0.000 1.569 6.484) 6.671 0.966 ( 0.000 -4.101 3.254) 5.235 0.966 ( 0.000 4.101 3.254) 5.235 1.030 ( 0.000 -0.937 4.891) 4.980 1.030 ( 0.000 0.937 4.891) 4.980 1.051 ( 0.000 -1.433 3.593) 3.869 1.051 ( 0.000 1.433 3.593) 3.869 1.131 ( 0.000 -2.184 3.357) 4.005 1.131 ( 0.000 2.184 3.357) 4.005 1.214 ( 0.000 -6.093 4.678) 7.682 1.214 ( 0.000 6.093 4.678) 7.682 1.253 ( 0.000 -0.466 1.260) 1.343 1.253 ( 0.000 0.466 1.260) 1.343 1.331 ( 0.000 -0.620 1.355) 1.490 1.331 ( 0.000 0.620 1.355) 1.490 1.367 ( 0.000 -1.481 0.066) 1.482 1.367 ( 0.000 1.481 0.066) 1.482 1.378 ( 0.000 -1.455 -0.129) 1.461 1.378 ( 0.000 1.455 -0.129) 1.461 1.588 ( 0.000 -1.596 -4.375) 4.658 1.588 ( 0.000 1.596 -4.375) 4.658 1.624 ( 0.000 -0.571 -2.607) 2.669 1.624 ( 0.000 0.571 -2.607) 2.669 1.682 ( 0.000 -2.203 -0.981) 2.411 1.682 ( 0.000 2.203 -0.981) 2.411 1.706 ( 0.000 -2.802 0.771) 2.906 1.706 ( 0.000 2.802 0.771) 2.906 1.832 ( 0.000 -1.117 0.524) 1.234 1.832 ( 0.000 1.117 0.524) 1.234 1.871 ( 0.000 -2.129 -2.644) 3.394 1.871 ( 0.000 2.129 -2.644) 3.394 1.889 ( 0.000 -3.717 -1.837) 4.146 1.889 ( 0.000 3.717 -1.837) 4.146 1.936 ( 0.000 -0.573 0.922) 1.085 1.936 ( 0.000 0.573 0.922) 1.085 1.976 ( 0.000 -1.133 -0.689) 1.326 1.976 ( 0.000 1.133 -0.689) 1.326 2.016 ( 0.000 -1.951 -0.023) 1.952 2.016 ( 0.000 1.951 -0.023) 1.952 2.023 ( 0.000 -3.001 0.260) 3.012 2.023 ( 0.000 3.001 0.260) 3.012 2.088 ( 0.000 -1.394 0.336) 1.434 2.088 ( 0.000 1.394 0.336) 1.434 2.197 ( 0.000 -0.761 -1.388) 1.583 2.197 ( 0.000 0.761 -1.388) 1.583 2.225 ( 0.000 -2.521 0.149) 2.526 2.225 ( 0.000 2.521 0.149) 2.526 2.248 ( 0.000 -0.143 -1.006) 1.016 2.248 ( 0.000 0.143 -1.006) 1.016 2.314 ( 0.000 -1.366 -2.312) 2.685 2.314 ( 0.000 1.366 -2.312) 2.685 2.394 ( 0.000 -0.054 1.531) 1.532 2.394 ( 0.000 0.054 1.531) 1.532 2.495 ( 0.000 -0.638 3.371) 3.431 2.495 ( 0.000 0.638 3.371) 3.431 2.572 ( 0.000 -1.364 4.059) 4.282 2.572 ( 0.000 1.364 4.059) 4.282 2.608 ( 0.000 -3.695 -0.472) 3.725 2.608 ( 0.000 3.695 -0.472) 3.725 2.645 ( 0.000 -0.600 2.386) 2.461 2.645 ( 0.000 0.600 2.386) 2.461 2.660 ( 0.000 -0.904 -1.544) 1.789 2.660 ( 0.000 0.904 -1.544) 1.789 2.714 ( 0.000 -0.084 -1.647) 1.649 2.714 ( 0.000 0.084 -1.647) 1.649 2.774 ( 0.000 -1.380 1.892) 2.342 2.774 ( 0.000 1.380 1.892) 2.342 2.868 ( 0.000 -2.249 -2.507) 3.368 2.868 ( 0.000 2.249 -2.507) 3.368 2.911 ( 0.000 -1.539 -3.228) 3.576 2.911 ( 0.000 1.539 -3.228) 3.576 2.970 ( 0.000 -2.092 -0.785) 2.234 2.970 ( 0.000 2.092 -0.785) 2.234 3.004 ( 0.000 -0.678 -0.018) 0.678 3.004 ( 0.000 0.678 -0.018) 0.678 3.054 ( 0.000 -0.653 -0.315) 0.725 3.054 ( 0.000 0.653 -0.315) 0.725 3.122 ( 0.000 -2.325 -0.707) 2.430 3.122 ( 0.000 2.325 -0.707) 2.430 3.170 ( 0.000 -1.886 -0.287) 1.908 3.170 ( 0.000 1.886 -0.287) 1.908 3.236 ( 0.000 -1.020 0.405) 1.097 3.236 ( 0.000 1.020 0.405) 1.097 3.250 ( 0.000 -0.547 0.131) 0.562 3.250 ( 0.000 0.547 0.131) 0.562 3.343 ( 0.000 -1.717 -0.405) 1.764 3.343 ( 0.000 1.717 -0.405) 1.764 3.421 ( 0.000 -0.016 -0.828) 0.829 3.421 ( 0.000 0.016 -0.828) 0.829 3.477 ( 0.000 -2.304 1.717) 2.873 3.477 ( 0.000 2.304 1.717) 2.873 3.704 ( 0.000 -1.825 1.304) 2.243 3.704 ( 0.000 1.825 1.304) 2.243 3.773 ( 0.000 -1.879 0.390) 1.919 3.773 ( 0.000 1.879 0.390) 1.919 3.964 ( 0.000 -2.068 1.442) 2.521 3.964 ( 0.000 2.068 1.442) 2.521 4.029 ( 0.000 -1.232 1.588) 2.010 4.029 ( 0.000 1.232 1.588) 2.010 4.128 ( 0.000 -1.089 -0.133) 1.097 4.128 ( 0.000 1.089 -0.133) 1.097 4.253 ( 0.000 -1.693 -1.485) 2.252 4.253 ( 0.000 1.693 -1.485) 2.252 4.391 ( 0.000 -3.394 -2.137) 4.011 4.391 ( 0.000 3.394 -2.137) 4.011 4.443 ( 0.000 -1.141 -3.229) 3.425 4.443 ( 0.000 1.141 -3.229) 3.425 4.689 ( 0.000 -0.788 -1.228) 1.459 4.689 ( 0.000 0.788 -1.228) 1.459 4.700 ( 0.000 -0.656 -1.610) 1.739 4.700 ( 0.000 0.656 -1.610) 1.739 4.716 ( 0.000 -0.243 -0.093) 0.260 4.716 ( 0.000 0.243 -0.093) 0.260 4.754 ( 0.000 -1.566 0.091) 1.569 4.754 ( 0.000 1.566 0.091) 1.569 4.902 ( 0.000 -0.395 2.101) 2.138 4.902 ( 0.000 0.395 2.101) 2.138 4.923 ( 0.000 -1.471 2.258) 2.695 4.923 ( 0.000 1.471 2.258) 2.695 5.172 ( 0.000 -1.265 -0.285) 1.297 5.172 ( 0.000 1.265 -0.285) 1.297 5.214 ( 0.000 -0.794 -0.716) 1.069 5.214 ( 0.000 0.794 -0.716) 1.069 5.229 ( 0.000 -1.616 -0.884) 1.842 5.229 ( 0.000 1.616 -0.884) 1.842 5.263 ( 0.000 -0.324 -1.680) 1.711 5.263 ( 0.000 0.324 -1.680) 1.711======================= Grid point 38 (18/30) =======================q-point: ( 0.33 -0.50 0.25)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 37Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( 2.438 -2.099 6.490) 7.243 0.680 ( 2.438 2.099 6.490) 7.243 0.725 ( -2.378 -1.261 6.135) 6.699 0.725 ( -2.378 1.261 6.135) 6.699 0.827 ( 4.519 -3.916 6.110) 8.549 0.827 ( 4.519 3.916 6.110) 8.549 0.916 ( -5.109 -4.534 4.867) 8.387 0.916 ( -5.109 4.534 4.867) 8.387 1.034 ( 1.309 -1.880 3.235) 3.965 1.034 ( 1.309 1.880 3.235) 3.965 1.055 ( -0.603 -2.518 2.507) 3.604 1.055 ( -0.603 2.518 2.507) 3.604 1.152 ( 2.228 -3.425 4.273) 5.913 1.152 ( 2.228 3.425 4.273) 5.913 1.194 ( -2.186 -5.146 4.388) 7.108 1.194 ( -2.186 5.146 4.388) 7.108 1.273 ( 1.878 -0.781 1.698) 2.649 1.273 ( 1.878 0.781 1.698) 2.649 1.309 ( -2.113 -0.204 1.895) 2.846 1.309 ( -2.113 0.204 1.895) 2.846 1.370 ( 0.351 -1.373 -0.287) 1.446 1.370 ( 0.351 1.373 -0.287) 1.446 1.376 ( -0.297 -1.415 -0.059) 1.447 1.376 ( -0.297 1.415 -0.059) 1.447 1.600 ( 1.162 -1.416 -3.936) 4.341 1.600 ( 1.162 1.416 -3.936) 4.341 1.618 ( -0.780 -0.929 -3.084) 3.314 1.618 ( -0.780 0.929 -3.084) 3.314 1.689 ( 0.671 -2.065 -0.686) 2.277 1.689 ( 0.671 2.065 -0.686) 2.277 1.701 ( -0.582 -2.344 0.206) 2.424 1.701 ( -0.582 2.344 0.206) 2.424 1.845 ( 1.356 -1.880 0.071) 2.319 1.845 ( 1.356 1.880 0.071) 2.319 1.871 ( -1.187 -0.173 -1.488) 1.911 1.871 ( -1.187 0.173 -1.488) 1.911 1.886 ( 1.119 -4.102 -1.561) 4.530 1.886 ( 1.119 4.102 -1.561) 4.530 1.919 ( -2.054 -2.476 -0.283) 3.229 1.919 ( -2.054 2.476 -0.283) 3.229 1.975 ( 0.757 -1.524 0.231) 1.717 1.975 ( 0.757 1.524 0.231) 1.717 1.997 ( -1.491 -2.491 0.514) 2.949 1.997 ( -1.491 2.491 0.514) 2.949 2.048 ( 1.850 -2.452 -0.532) 3.117 2.048 ( 1.850 2.452 -0.532) 3.117 2.077 ( -1.295 -1.798 -0.197) 2.224 2.077 ( -1.295 1.798 -0.197) 2.224 2.203 ( 0.685 -1.322 -0.911) 1.746 2.203 ( 0.685 1.322 -0.911) 1.746 2.217 ( -0.808 -2.008 0.030) 2.165 2.217 ( -0.808 2.008 0.030) 2.165 2.270 ( 2.282 -1.997 -1.565) 3.413 2.270 ( 2.282 1.997 -1.565) 3.413 2.305 ( -1.397 -2.306 -2.169) 3.460 2.305 ( -1.397 2.306 -2.169) 3.460 2.419 ( 2.759 -0.590 2.299) 3.640 2.419 ( 2.759 0.590 2.299) 3.640 2.470 ( -2.673 -0.510 2.593) 3.759 2.470 ( -2.673 0.510 2.593) 3.759 2.569 ( 0.195 -2.976 4.241) 5.185 2.569 ( 0.195 2.976 4.241) 5.185 2.590 ( -2.041 -2.283 3.421) 4.591 2.590 ( -2.041 2.283 3.421) 4.591 2.645 ( 1.649 -1.696 -1.826) 2.989 2.645 ( 1.649 1.696 -1.826) 2.989 2.674 ( -0.758 -2.485 -2.490) 3.598 2.674 ( -0.758 2.485 -2.490) 3.598 2.719 ( 1.561 -1.885 0.193) 2.455 2.719 ( 1.561 1.885 0.193) 2.455 2.757 ( -2.138 -2.773 0.788) 3.589 2.757 ( -2.138 2.773 0.788) 3.589 2.875 ( 1.114 -2.807 -2.171) 3.719 2.875 ( 1.114 2.807 -2.171) 3.719 2.897 ( -1.069 -2.535 -2.684) 3.844 2.897 ( -1.069 2.535 -2.684) 3.844 2.994 ( 1.198 -1.297 -0.337) 1.798 2.994 ( 1.198 1.297 -0.337) 1.798 3.006 ( -0.019 -0.589 -0.680) 0.900 3.006 ( -0.019 0.589 -0.680) 0.900 3.078 ( 2.822 -0.497 -0.281) 2.879 3.078 ( 2.822 0.497 -0.281) 2.879 3.128 ( -1.695 -1.833 -0.871) 2.645 3.128 ( -1.695 1.834 -0.871) 2.645 3.180 ( 3.018 -1.367 0.746) 3.396 3.180 ( 3.018 1.367 0.746) 3.396 3.228 ( -1.302 -2.079 0.446) 2.493 3.228 ( -1.302 2.079 0.446) 2.493 3.255 ( 0.863 -1.201 -0.363) 1.523 3.255 ( 0.863 1.201 -0.363) 1.523 3.299 ( -4.017 -1.774 -0.732) 4.452 3.299 ( -4.017 1.774 -0.732) 4.452 3.432 ( 1.241 -1.519 -0.151) 1.967 3.432 ( 1.241 1.519 -0.151) 1.967 3.459 ( -1.709 -2.368 1.014) 3.091 3.459 ( -1.709 2.368 1.014) 3.091 3.727 ( 2.233 -2.014 1.180) 3.230 3.727 ( 2.233 2.014 1.180) 3.230 3.763 ( -1.493 -2.284 0.611) 2.796 3.763 ( -1.493 2.284 0.611) 2.796 3.972 ( 1.381 -2.272 1.752) 3.184 3.972 ( 1.381 2.272 1.752) 3.184 4.007 ( -2.171 -1.651 1.710) 3.219 4.007 ( -2.171 1.651 1.710) 3.219 4.163 ( 3.421 -1.304 -0.694) 3.727 4.163 ( 3.421 1.304 -0.694) 3.727 4.223 ( -3.073 -1.715 -1.285) 3.746 4.223 ( -3.073 1.715 -1.285) 3.746 4.410 ( 1.650 -2.801 -2.387) 4.033 4.410 ( 1.650 2.801 -2.387) 4.033 4.434 ( -1.036 -1.754 -2.922) 3.562 4.434 ( -1.036 1.754 -2.922) 3.562 4.691 ( 0.256 -0.779 -1.335) 1.567 4.691 ( 0.256 0.779 -1.335) 1.567 4.697 ( -0.314 -0.725 -1.528) 1.720 4.697 ( -0.314 0.725 -1.528) 1.720 4.723 ( 0.827 -0.119 0.015) 0.835 4.723 ( 0.827 0.119 0.015) 0.835 4.742 ( -1.186 -0.944 0.142) 1.523 4.742 ( -1.186 0.944 0.142) 1.523 4.909 ( 0.691 -1.057 2.095) 2.446 4.909 ( 0.691 1.057 2.095) 2.446 4.920 ( -0.436 -1.313 2.176) 2.579 4.920 ( -0.436 1.313 2.176) 2.579 5.182 ( 1.070 -1.657 -0.409) 2.015 5.182 ( 1.070 1.657 -0.409) 2.015 5.202 ( -1.096 -1.449 -0.574) 1.906 5.202 ( -1.096 1.449 -0.574) 1.906 5.241 ( 0.935 -0.411 -1.175) 1.557 5.241 ( 0.935 0.411 -1.175) 1.557 5.256 ( -0.746 -0.505 -1.535) 1.780 5.256 ( -0.746 0.505 -1.535) 1.780======================= Grid point 45 (19/30) =======================q-point: ( 0.00 0.00 0.38)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.671 ( 0.000 0.000 10.032) 10.032 0.767 ( 0.000 0.000 8.096) 8.096 0.804 ( 0.000 0.000 3.074) 3.074 0.830 ( 0.000 0.000 4.680) 4.680 0.974 ( 0.000 0.000 3.161) 3.161 0.994 ( 0.000 0.000 0.357) 0.357 1.046 ( 0.000 0.000 0.745) 0.745 1.065 ( 0.000 0.000 3.792) 3.792 1.077 ( 0.000 0.000 5.025) 5.025 1.078 ( 0.000 0.000 1.060) 1.060 1.104 ( 0.000 0.000 -0.939) 0.939 1.136 ( 0.000 0.000 -1.470) 1.470 1.139 ( 0.000 0.000 1.029) 1.029 1.198 ( 0.000 0.000 -0.999) 0.999 1.212 ( 0.000 0.000 2.709) 2.709 1.260 ( 0.000 0.000 4.215) 4.215 1.272 ( 0.000 0.000 6.144) 6.144 1.316 ( 0.000 0.000 -0.037) 0.037 1.324 ( 0.000 0.000 0.807) 0.807 1.342 ( 0.000 0.000 3.313) 3.313 1.410 ( 0.000 0.000 -0.054) 0.054 1.413 ( 0.000 0.000 7.143) 7.143 1.433 ( 0.000 0.000 5.390) 5.390 1.455 ( 0.000 0.000 -2.662) 2.662 1.488 ( 0.000 0.000 -4.418) 4.418 1.518 ( 0.000 0.000 -3.876) 3.876 1.577 ( 0.000 0.000 0.204) 0.204 1.585 ( 0.000 0.000 1.813) 1.813 1.622 ( 0.000 0.000 0.078) 0.078 1.623 ( 0.000 0.000 -0.147) 0.147 1.650 ( 0.000 0.000 -0.473) 0.473 1.669 ( 0.000 0.000 0.673) 0.673 1.683 ( 0.000 0.000 -1.824) 1.824 1.743 ( 0.000 0.000 1.123) 1.123 1.804 ( 0.000 0.000 2.810) 2.810 1.836 ( 0.000 0.000 -3.043) 3.043 1.843 ( 0.000 0.000 -2.904) 2.904 1.884 ( 0.000 0.000 -1.061) 1.061 2.007 ( 0.000 0.000 1.686) 1.686 2.015 ( 0.000 0.000 -0.346) 0.346 2.029 ( 0.000 0.000 1.661) 1.661 2.039 ( 0.000 0.000 -1.070) 1.070 2.060 ( 0.000 0.000 1.507) 1.507 2.063 ( 0.000 0.000 0.232) 0.232 2.069 ( 0.000 0.000 -0.328) 0.328 2.107 ( 0.000 0.000 -2.258) 2.258 2.121 ( 0.000 0.000 -2.876) 2.876 2.123 ( 0.000 0.000 -2.587) 2.587 2.135 ( 0.000 0.000 -1.766) 1.766 2.151 ( 0.000 0.000 -2.466) 2.466 2.171 ( 0.000 0.000 -1.858) 1.858 2.192 ( 0.000 0.000 2.712) 2.712 2.199 ( 0.000 0.000 -3.865) 3.865 2.213 ( 0.000 0.000 0.970) 0.970 2.299 ( 0.000 0.000 -2.241) 2.241 2.321 ( 0.000 0.000 2.741) 2.741 2.348 ( 0.000 0.000 -3.042) 3.042 2.374 ( 0.000 0.000 0.813) 0.813 2.493 ( 0.000 0.000 0.731) 0.731 2.517 ( 0.000 0.000 -0.930) 0.930 2.552 ( 0.000 0.000 0.255) 0.255 2.553 ( 0.000 0.000 3.129) 3.129 2.616 ( 0.000 0.000 1.151) 1.151 2.619 ( 0.000 0.000 -2.026) 2.026 2.644 ( 0.000 0.000 0.231) 0.231 2.685 ( 0.000 0.000 -2.416) 2.416 2.726 ( 0.000 0.000 3.845) 3.845 2.729 ( 0.000 0.000 3.659) 3.659 2.765 ( 0.000 0.000 3.577) 3.577 2.790 ( 0.000 0.000 4.558) 4.558 2.815 ( 0.000 0.000 0.746) 0.746 2.833 ( 0.000 0.000 1.282) 1.282 2.850 ( 0.000 0.000 -3.689) 3.689 2.884 ( 0.000 0.000 -3.531) 3.531 2.901 ( 0.000 0.000 -2.578) 2.578 2.928 ( 0.000 0.000 -1.941) 1.941 2.941 ( 0.000 0.000 -1.993) 1.993 2.943 ( 0.000 0.000 -1.012) 1.012 2.954 ( 0.000 0.000 -1.450) 1.450 2.956 ( 0.000 0.000 1.021) 1.021 2.978 ( 0.000 0.000 0.857) 0.857 3.023 ( 0.000 0.000 -1.880) 1.880 3.031 ( 0.000 0.000 -0.401) 0.401 3.055 ( 0.000 0.000 -1.018) 1.018 3.071 ( 0.000 0.000 -0.570) 0.570 3.099 ( 0.000 0.000 -1.489) 1.489 3.262 ( 0.000 0.000 -1.260) 1.260 3.262 ( 0.000 0.000 4.693) 4.693 3.263 ( 0.000 0.000 -2.783) 2.783 3.309 ( 0.000 0.000 2.853) 2.853 3.309 ( 0.000 0.000 1.055) 1.055 3.316 ( 0.000 0.000 1.218) 1.218 3.432 ( 0.000 0.000 0.686) 0.686 3.468 ( 0.000 0.000 -0.771) 0.771 3.558 ( 0.000 0.000 0.701) 0.701 3.559 ( 0.000 0.000 1.079) 1.079 3.632 ( 0.000 0.000 1.490) 1.490 3.662 ( 0.000 0.000 -0.581) 0.581 3.769 ( 0.000 0.000 2.566) 2.566 3.841 ( 0.000 0.000 -0.132) 0.132 3.939 ( 0.000 0.000 1.755) 1.755 4.014 ( 0.000 0.000 1.390) 1.390 4.057 ( 0.000 0.000 -2.404) 2.404 4.068 ( 0.000 0.000 1.597) 1.597 4.132 ( 0.000 0.000 -1.277) 1.277 4.140 ( 0.000 0.000 -2.766) 2.766 4.165 ( 0.000 0.000 2.391) 2.391 4.225 ( 0.000 0.000 -1.122) 1.122 4.260 ( 0.000 0.000 -2.359) 2.359 4.272 ( 0.000 0.000 -3.020) 3.020 4.532 ( 0.000 0.000 0.721) 0.721 4.558 ( 0.000 0.000 -0.525) 0.525 4.581 ( 0.000 0.000 -0.992) 0.992 4.592 ( 0.000 0.000 -1.567) 1.567 4.698 ( 0.000 0.000 -0.013) 0.013 4.708 ( 0.000 0.000 -0.240) 0.240 4.716 ( 0.000 0.000 -0.870) 0.870 4.717 ( 0.000 0.000 -0.718) 0.718 4.721 ( 0.000 0.000 -0.127) 0.127 4.742 ( 0.000 0.000 -1.295) 1.295 4.913 ( 0.000 0.000 1.646) 1.646 4.938 ( 0.000 0.000 0.120) 0.120 4.980 ( 0.000 0.000 2.137) 2.137 5.063 ( 0.000 0.000 -1.783) 1.783 5.122 ( 0.000 0.000 2.101) 2.101 5.179 ( 0.000 0.000 -0.860) 0.860 5.182 ( 0.000 0.000 1.358) 1.358 5.203 ( 0.000 0.000 -0.408) 0.408 5.208 ( 0.000 0.000 -0.998) 0.998 5.241 ( 0.000 0.000 -1.560) 1.560 5.242 ( 0.000 0.000 -1.148) 1.148 5.258 ( 0.000 0.000 -1.838) 1.838======================= Grid point 46 (20/30) =======================q-point: ( 0.33 0.00 0.38)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.703 ( 3.387 0.000 8.370) 9.029 0.768 ( -3.629 0.000 5.028) 6.201 0.781 ( 1.540 0.000 7.260) 7.421 0.812 ( -1.812 0.000 5.558) 5.846 0.987 ( 1.088 0.000 1.947) 2.230 0.997 ( 0.050 0.000 0.430) 0.433 1.049 ( 0.673 0.000 0.874) 1.104 1.062 ( -0.132 0.000 4.232) 4.235 1.065 ( -0.368 0.000 3.953) 3.971 1.076 ( -2.278 0.000 0.118) 2.281 1.102 ( 1.283 0.000 0.791) 1.507 1.118 ( -0.589 0.000 -0.408) 0.716 1.164 ( 1.143 0.000 0.966) 1.496 1.184 ( -1.247 0.000 0.640) 1.401 1.246 ( 2.811 0.000 2.707) 3.903 1.275 ( 1.123 0.000 3.952) 4.109 1.287 ( 1.866 0.000 4.527) 4.896 1.295 ( -1.253 0.000 0.547) 1.367 1.317 ( -1.509 0.000 0.308) 1.540 1.325 ( -1.961 0.000 3.047) 3.623 1.413 ( 0.481 0.000 6.495) 6.513 1.424 ( 1.468 0.000 -0.519) 1.557 1.427 ( -0.764 0.000 5.576) 5.628 1.447 ( -1.006 0.000 -1.873) 2.126 1.493 ( 0.640 0.000 -4.414) 4.460 1.508 ( -0.946 0.000 -4.082) 4.190 1.590 ( 1.234 0.000 0.051) 1.235 1.599 ( 1.427 0.000 1.724) 2.238 1.612 ( -1.172 0.000 -0.292) 1.208 1.621 ( -0.635 0.000 0.685) 0.934 1.650 ( 0.458 0.000 -0.992) 1.092 1.669 ( -1.340 0.000 -1.655) 2.129 1.686 ( 1.896 0.000 1.208) 2.248 1.723 ( -2.005 0.000 1.320) 2.401 1.811 ( 0.680 0.000 0.433) 0.806 1.828 ( -1.227 0.000 -1.924) 2.282 1.852 ( 1.499 0.000 -1.603) 2.195 1.876 ( -1.042 0.000 -1.196) 1.586 2.014 ( 0.933 0.000 1.294) 1.595 2.022 ( 0.676 0.000 -0.668) 0.951 2.034 ( -0.594 0.000 -0.954) 1.124 2.035 ( 0.309 0.000 0.881) 0.934 2.044 ( -1.406 0.000 0.373) 1.455 2.058 ( -1.036 0.000 -0.455) 1.132 2.071 ( 1.061 0.000 0.615) 1.226 2.093 ( -1.497 0.000 -1.065) 1.837 2.116 ( 0.531 0.000 -2.484) 2.540 2.121 ( 0.298 0.000 -1.941) 1.964 2.131 ( -0.673 0.000 -1.898) 2.014 2.140 ( -1.983 0.000 -1.806) 2.682 2.177 ( 1.548 0.000 -3.279) 3.626 2.198 ( -0.676 0.000 -3.819) 3.878 2.206 ( 1.480 0.000 2.404) 2.823 2.222 ( 0.010 0.000 1.381) 1.381 2.317 ( 1.832 0.000 -2.544) 3.135 2.343 ( -0.822 0.000 -2.941) 3.053 2.351 ( 3.015 0.000 2.709) 4.054 2.389 ( 0.082 0.000 1.654) 1.656 2.469 ( -0.551 0.000 0.236) 0.599 2.499 ( -2.375 0.000 -0.931) 2.551 2.548 ( 0.077 0.000 2.983) 2.984 2.560 ( -0.211 0.000 0.817) 0.844 2.590 ( -0.581 0.000 2.559) 2.624 2.609 ( -1.254 0.000 -0.210) 1.271 2.659 ( 0.655 0.000 -2.125) 2.224 2.674 ( -0.974 0.000 -3.125) 3.273 2.734 ( 0.311 0.000 3.541) 3.554 2.737 ( -0.851 0.000 2.699) 2.830 2.740 ( 1.636 0.000 3.852) 4.185 2.775 ( -1.941 0.000 2.473) 3.143 2.839 ( 1.152 0.000 -2.020) 2.325 2.855 ( 3.533 0.000 0.687) 3.600 2.875 ( -2.798 0.000 -3.175) 4.232 2.898 ( -0.376 0.000 -3.114) 3.137 2.901 ( 2.056 0.000 -0.414) 2.097 2.921 ( -0.452 0.000 -1.870) 1.924 2.930 ( 2.046 0.000 0.777) 2.189 2.932 ( 0.851 0.000 -0.319) 0.909 2.956 ( -0.440 0.000 -0.047) 0.442 2.969 ( -0.944 0.000 0.268) 0.982 2.984 ( 0.862 0.000 0.292) 0.910 3.023 ( -3.267 0.000 -0.363) 3.287 3.024 ( 0.400 0.000 -0.921) 1.004 3.034 ( -0.441 0.000 -0.438) 0.622 3.110 ( 4.452 0.000 -0.298) 4.462 3.130 ( 3.020 0.000 -1.406) 3.331 3.222 ( -3.863 0.000 -1.738) 4.236 3.226 ( -3.595 0.000 -2.984) 4.672 3.267 ( 0.891 0.000 3.694) 3.800 3.292 ( -1.662 0.000 2.749) 3.212 3.307 ( 0.281 0.000 0.906) 0.949 3.315 ( -0.422 0.000 0.701) 0.818 3.457 ( 2.481 0.000 0.731) 2.586 3.485 ( 0.849 0.000 -0.571) 1.024 3.527 ( -1.652 0.000 1.006) 1.934 3.545 ( -1.966 0.000 0.195) 1.976 3.652 ( 1.645 0.000 1.282) 2.086 3.667 ( 0.043 0.000 0.094) 0.103 3.780 ( 1.539 0.000 1.863) 2.417 3.819 ( -2.396 0.000 0.231) 2.408 3.948 ( 1.678 0.000 1.635) 2.343 3.991 ( -2.650 0.000 0.707) 2.742 4.079 ( 2.438 0.000 -1.604) 2.918 4.097 ( 2.832 0.000 1.861) 3.389 4.121 ( -2.026 0.000 -1.953) 2.814 4.144 ( -2.133 0.000 2.285) 3.126 4.170 ( 3.629 0.000 -1.545) 3.944 4.233 ( -3.019 0.000 -2.129) 3.694 4.242 ( 1.507 0.000 -2.067) 2.558 4.264 ( -0.929 0.000 -2.820) 2.969 4.539 ( 0.701 0.000 0.278) 0.754 4.552 ( -0.667 0.000 -0.338) 0.748 4.583 ( 0.298 0.000 -1.134) 1.172 4.589 ( -0.321 0.000 -1.419) 1.455 4.700 ( 0.328 0.000 -0.010) 0.328 4.707 ( -0.263 0.000 -0.111) 0.286 4.717 ( 0.051 0.000 -0.847) 0.848 4.717 ( 0.018 0.000 -0.772) 0.772 4.723 ( 0.441 0.000 -0.498) 0.665 4.735 ( -0.727 0.000 -1.092) 1.312 4.915 ( 0.336 0.000 1.746) 1.778 4.926 ( -0.838 0.000 1.437) 1.664 5.005 ( 2.233 0.000 0.556) 2.301 5.043 ( -1.978 0.000 -0.902) 2.174 5.129 ( 0.843 0.000 1.846) 2.029 5.150 ( -1.570 0.000 1.134) 1.936 5.210 ( 0.897 0.000 -0.497) 1.025 5.211 ( 1.606 0.000 -0.620) 1.721 5.224 ( 0.849 0.000 -1.426) 1.660 5.232 ( -0.454 0.000 -0.940) 1.044 5.233 ( -0.894 0.000 -1.311) 1.587 5.250 ( -1.000 0.000 -1.911) 2.157======================= Grid point 48 (21/30) =======================q-point: ( 0.00 0.25 0.38)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( 0.000 3.268 8.482) 9.090 0.773 ( 0.000 1.170 7.896) 7.982 0.817 ( 0.000 0.639 2.925) 2.994 0.852 ( 0.000 0.833 4.107) 4.191 0.959 ( 0.000 -3.555 2.074) 4.116 0.964 ( 0.000 0.175 2.085) 2.092 1.004 ( 0.000 -4.473 4.457) 6.314 1.050 ( 0.000 -0.520 3.100) 3.144 1.073 ( 0.000 0.921 3.706) 3.818 1.085 ( 0.000 2.158 1.011) 2.383 1.127 ( 0.000 -1.412 -0.258) 1.435 1.130 ( 0.000 -0.427 1.581) 1.638 1.156 ( 0.000 3.623 0.305) 3.636 1.166 ( 0.000 -1.874 1.540) 2.426 1.238 ( 0.000 0.528 0.236) 0.578 1.248 ( 0.000 -0.929 3.651) 3.768 1.276 ( 0.000 -0.415 1.577) 1.631 1.317 ( 0.000 -0.603 2.313) 2.390 1.341 ( 0.000 0.849 1.056) 1.355 1.341 ( 0.000 2.805 3.369) 4.384 1.388 ( 0.000 -2.764 0.656) 2.840 1.403 ( 0.000 -1.812 2.526) 3.109 1.428 ( 0.000 0.087 2.029) 2.031 1.434 ( 0.000 -1.863 1.435) 2.351 1.478 ( 0.000 0.912 -3.575) 3.690 1.516 ( 0.000 0.740 -4.001) 4.069 1.579 ( 0.000 -1.768 -0.986) 2.024 1.590 ( 0.000 -1.749 -2.358) 2.936 1.623 ( 0.000 1.862 -0.254) 1.879 1.658 ( 0.000 1.964 -1.793) 2.660 1.693 ( 0.000 0.987 0.704) 1.213 1.704 ( 0.000 5.146 0.279) 5.154 1.707 ( 0.000 5.354 0.203) 5.358 1.744 ( 0.000 -1.284 -2.073) 2.439 1.798 ( 0.000 0.162 1.334) 1.344 1.861 ( 0.000 1.451 -1.881) 2.376 1.865 ( 0.000 1.585 -2.273) 2.771 1.875 ( 0.000 -0.813 -2.160) 2.308 1.984 ( 0.000 -1.541 2.295) 2.764 1.995 ( 0.000 -2.199 2.296) 3.179 1.995 ( 0.000 -1.704 1.393) 2.201 2.026 ( 0.000 -0.699 2.281) 2.386 2.047 ( 0.000 -0.889 -0.169) 0.905 2.049 ( 0.000 -1.467 0.804) 1.673 2.061 ( 0.000 -1.098 -0.228) 1.121 2.065 ( 0.000 -4.810 -0.263) 4.817 2.119 ( 0.000 0.499 -1.550) 1.629 2.124 ( 0.000 -1.895 -2.097) 2.827 2.130 ( 0.000 -0.732 -0.943) 1.194 2.158 ( 0.000 1.304 -3.707) 3.930 2.201 ( 0.000 -0.905 0.266) 0.944 2.204 ( 0.000 1.807 -1.859) 2.592 2.206 ( 0.000 2.771 -2.043) 3.443 2.237 ( 0.000 1.510 0.132) 1.516 2.261 ( 0.000 -1.609 -1.769) 2.391 2.315 ( 0.000 -1.732 -2.253) 2.842 2.349 ( 0.000 3.333 2.736) 4.312 2.407 ( 0.000 3.084 1.292) 3.343 2.511 ( 0.000 1.956 -0.438) 2.004 2.535 ( 0.000 -1.094 3.448) 3.617 2.536 ( 0.000 1.925 -1.775) 2.619 2.596 ( 0.000 1.534 0.144) 1.540 2.619 ( 0.000 0.067 0.178) 0.190 2.644 ( 0.000 -0.793 1.579) 1.767 2.653 ( 0.000 1.394 0.754) 1.585 2.684 ( 0.000 0.030 -0.397) 0.398 2.714 ( 0.000 -1.650 3.471) 3.843 2.732 ( 0.000 -1.361 1.871) 2.314 2.751 ( 0.000 -2.391 1.106) 2.635 2.765 ( 0.000 -1.436 2.700) 3.058 2.787 ( 0.000 -3.807 -1.074) 3.956 2.798 ( 0.000 0.135 -1.108) 1.116 2.819 ( 0.000 -0.112 1.196) 1.201 2.860 ( 0.000 0.634 0.339) 0.719 2.874 ( 0.000 -2.072 -2.296) 3.093 2.884 ( 0.000 -2.349 0.195) 2.357 2.940 ( 0.000 -0.535 -0.904) 1.051 2.954 ( 0.000 0.862 -1.854) 2.044 2.978 ( 0.000 -0.117 -1.071) 1.077 2.985 ( 0.000 1.117 -2.318) 2.573 3.005 ( 0.000 2.016 -0.777) 2.160 3.011 ( 0.000 3.178 -2.271) 3.906 3.065 ( 0.000 1.375 0.300) 1.408 3.091 ( 0.000 1.769 -1.185) 2.129 3.134 ( 0.000 3.192 -0.073) 3.193 3.141 ( 0.000 3.656 -0.917) 3.769 3.239 ( 0.000 -1.265 -0.449) 1.343 3.242 ( 0.000 -0.727 -0.706) 1.013 3.274 ( 0.000 -2.200 0.323) 2.224 3.288 ( 0.000 -1.763 0.523) 1.839 3.308 ( 0.000 1.799 2.124) 2.784 3.343 ( 0.000 0.926 0.881) 1.278 3.419 ( 0.000 -0.645 -0.191) 0.673 3.435 ( 0.000 -2.316 -0.633) 2.400 3.522 ( 0.000 -2.150 1.752) 2.773 3.538 ( 0.000 -1.492 0.658) 1.631 3.672 ( 0.000 3.035 1.348) 3.321 3.702 ( 0.000 2.731 -0.140) 2.735 3.773 ( 0.000 -0.024 1.850) 1.850 3.822 ( 0.000 -1.758 -0.008) 1.758 3.956 ( 0.000 1.587 1.888) 2.466 4.027 ( 0.000 1.015 1.224) 1.590 4.047 ( 0.000 -1.473 1.779) 2.309 4.081 ( 0.000 1.710 -1.539) 2.301 4.096 ( 0.000 -2.038 -0.057) 2.038 4.146 ( 0.000 -0.595 -0.038) 0.596 4.182 ( 0.000 1.458 -1.221) 1.901 4.250 ( 0.000 -1.017 -2.166) 2.393 4.262 ( 0.000 3.421 -1.501) 3.736 4.304 ( 0.000 2.824 -3.184) 4.256 4.463 ( 0.000 -4.183 -0.897) 4.278 4.474 ( 0.000 -5.215 -1.346) 5.386 4.633 ( 0.000 2.575 -0.457) 2.616 4.642 ( 0.000 2.104 -0.956) 2.311 4.690 ( 0.000 -0.663 -0.522) 0.844 4.694 ( 0.000 -0.893 -0.748) 1.165 4.714 ( 0.000 0.059 -0.281) 0.287 4.718 ( 0.000 0.046 -0.156) 0.162 4.732 ( 0.000 0.827 0.069) 0.830 4.754 ( 0.000 0.552 -1.114) 1.243 4.922 ( 0.000 0.819 1.560) 1.762 4.934 ( 0.000 -0.126 0.862) 0.871 4.970 ( 0.000 -0.824 1.985) 2.149 5.009 ( 0.000 -3.113 0.553) 3.161 5.164 ( 0.000 1.650 1.390) 2.157 5.174 ( 0.000 0.295 -0.524) 0.601 5.178 ( 0.000 -0.293 -0.621) 0.686 5.198 ( 0.000 -0.389 -0.639) 0.748 5.201 ( 0.000 -0.494 -1.090) 1.196 5.231 ( 0.000 -0.725 -1.794) 1.935 5.242 ( 0.000 -0.025 -0.693) 0.693 5.251 ( 0.000 -0.609 -1.067) 1.229======================= Grid point 49 (22/30) =======================q-point: ( 0.33 0.25 0.38)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.734 ( 2.757 2.868 7.134) 8.168 0.778 ( -1.173 1.636 6.028) 6.355 0.807 ( 0.669 1.436 5.478) 5.702 0.837 ( -1.716 1.622 5.232) 5.741 0.958 ( 0.009 -2.739 2.222) 3.528 0.962 ( -0.302 -2.256 2.260) 3.208 1.025 ( 2.181 -3.197 3.200) 5.021 1.058 ( -0.482 -1.309 3.043) 3.347 1.062 ( -0.237 1.311 2.739) 3.046 1.077 ( -0.749 -0.965 2.286) 2.592 1.123 ( 0.157 2.095 0.249) 2.116 1.137 ( -0.926 3.337 0.381) 3.484 1.141 ( 0.512 -1.647 2.091) 2.711 1.160 ( -1.083 -1.461 1.691) 2.483 1.253 ( 1.394 -1.046 0.211) 1.755 1.264 ( 1.181 -0.833 0.945) 1.727 1.278 ( 0.270 0.038 1.957) 1.976 1.304 ( -1.671 0.777 2.377) 3.008 1.331 ( 0.175 1.847 3.543) 3.999 1.343 ( -0.647 1.337 2.353) 2.783 1.389 ( 0.377 -2.394 0.981) 2.615 1.399 ( -0.489 -2.102 1.386) 2.565 1.430 ( 0.455 -0.824 2.410) 2.587 1.437 ( -0.098 -1.310 2.029) 2.417 1.487 ( 1.014 1.036 -3.827) 4.093 1.507 ( -1.016 1.014 -3.959) 4.211 1.584 ( 0.387 -2.243 -1.566) 2.762 1.589 ( -0.179 -2.098 -2.258) 3.087 1.631 ( 0.909 2.234 -0.415) 2.447 1.649 ( -1.007 2.353 -1.093) 2.783 1.699 ( 0.386 2.756 0.231) 2.792 1.702 ( -0.159 5.222 0.563) 5.254 1.710 ( 0.679 2.858 -0.247) 2.948 1.730 ( -1.307 -0.699 -1.810) 2.340 1.811 ( 1.491 0.499 0.508) 1.652 1.844 ( -2.017 1.187 -0.875) 2.499 1.865 ( 0.489 0.952 -1.857) 2.143 1.873 ( -0.314 -0.005 -2.242) 2.264 1.986 ( 0.287 -1.345 2.223) 2.614 1.993 ( -0.405 -1.678 2.184) 2.783 1.999 ( 0.821 -2.439 1.043) 2.777 2.019 ( -1.007 -2.186 1.076) 2.636 2.040 ( 0.050 -0.774 0.590) 0.974 2.047 ( -0.498 -1.061 0.063) 1.174 2.061 ( 0.574 -2.449 -0.359) 2.541 2.074 ( -0.251 -2.490 -0.531) 2.559 2.103 ( -0.639 -2.118 -0.803) 2.354 2.113 ( -0.993 -1.388 -1.170) 2.070 2.135 ( 1.123 1.634 -1.725) 2.628 2.157 ( -0.821 2.400 -2.312) 3.432 2.199 ( -0.068 1.460 -2.012) 2.487 2.202 ( -0.210 1.299 -1.985) 2.382 2.221 ( 1.336 0.020 0.000) 1.336 2.235 ( -0.294 0.998 -0.296) 1.081 2.285 ( 1.993 -1.583 -1.787) 3.110 2.309 ( -0.771 -1.756 -2.069) 2.821 2.378 ( 2.734 3.085 2.382) 4.762 2.412 ( -0.392 2.806 1.730) 3.320 2.492 ( -0.745 1.538 -0.364) 1.747 2.510 ( -1.764 0.845 -0.901) 2.154 2.550 ( 0.961 0.691 2.381) 2.659 2.579 ( -2.199 0.844 1.512) 2.799 2.621 ( 1.405 1.323 0.406) 1.973 2.646 ( -1.050 0.476 0.855) 1.435 2.664 ( 1.143 1.148 -1.741) 2.378 2.683 ( -0.768 0.898 -1.965) 2.293 2.692 ( 0.875 -2.048 4.367) 4.902 2.724 ( -2.713 0.242 2.677) 3.819 2.752 ( -0.663 -3.359 2.469) 4.221 2.754 ( -0.870 -4.924 1.443) 5.204 2.790 ( 0.923 0.702 0.799) 1.409 2.804 ( -0.152 -0.680 -0.490) 0.852 2.816 ( 2.576 -3.106 -0.448) 4.060 2.858 ( -1.718 -3.419 -0.431) 3.851 2.890 ( 0.804 -1.500 0.520) 1.780 2.892 ( 0.461 -1.100 -1.666) 2.049 2.951 ( 0.402 1.414 -2.676) 3.053 2.957 ( 0.635 0.489 -1.255) 1.489 2.969 ( -0.521 0.959 -1.723) 2.039 2.978 ( -0.710 0.574 -2.115) 2.304 3.031 ( 3.557 3.770 0.376) 5.197 3.041 ( 1.875 2.919 0.454) 3.499 3.075 ( -0.336 2.206 -0.120) 2.234 3.090 ( -0.386 1.687 -1.106) 2.054 3.144 ( 1.598 3.200 -0.229) 3.584 3.161 ( 1.858 3.103 -0.903) 3.728 3.209 ( -2.554 -0.591 -1.100) 2.842 3.223 ( -2.075 0.075 -2.358) 3.142 3.272 ( 0.321 -1.512 1.394) 2.081 3.288 ( -0.022 -1.297 0.802) 1.525 3.291 ( -0.602 -0.709 1.439) 1.714 3.310 ( -3.324 -0.031 0.850) 3.431 3.435 ( 2.044 -1.311 0.488) 2.477 3.458 ( 1.273 -1.679 -0.438) 2.152 3.494 ( -1.691 -2.224 1.313) 3.087 3.517 ( -2.319 -2.056 0.088) 3.100 3.692 ( 1.675 3.079 1.221) 3.712 3.708 ( 0.110 2.992 0.249) 3.004 3.781 ( 1.200 -0.264 1.580) 2.001 3.810 ( -1.561 -1.080 0.305) 1.922 3.964 ( 1.393 1.627 1.917) 2.875 4.002 ( -2.482 1.137 1.204) 2.984 4.067 ( 1.908 -1.865 1.720) 3.174 4.094 ( -0.569 -1.917 0.835) 2.167 4.109 ( 2.257 1.128 -1.032) 2.726 4.154 ( -1.963 0.969 -0.233) 2.202 4.168 ( 2.236 -0.261 -1.980) 2.998 4.222 ( -2.893 -1.051 -2.073) 3.711 4.279 ( 1.456 3.352 -2.128) 4.229 4.299 ( -0.748 3.072 -2.884) 4.279 4.468 ( 0.416 -4.354 -1.052) 4.498 4.473 ( -0.184 -4.871 -1.273) 5.038 4.635 ( 0.222 2.464 -0.595) 2.545 4.639 ( -0.262 2.229 -0.845) 2.398 4.691 ( 0.109 -0.756 -0.580) 0.959 4.693 ( -0.127 -0.880 -0.700) 1.132 4.718 ( 0.416 0.246 -0.190) 0.519 4.726 ( 0.814 0.158 -0.331) 0.893 4.727 ( -0.494 0.615 -0.037) 0.790 4.743 ( -1.025 0.371 -0.834) 1.373 4.924 ( 0.242 0.786 1.713) 1.901 4.930 ( -0.405 0.519 1.625) 1.753 4.984 ( 1.230 -1.682 1.049) 2.333 5.002 ( -0.807 -2.709 0.590) 2.888 5.157 ( -0.202 1.251 0.919) 1.565 5.162 ( -0.688 1.242 0.021) 1.420 5.194 ( 0.910 -1.051 -0.780) 1.594 5.201 ( 0.143 -0.833 -0.862) 1.207 5.219 ( 1.425 -0.434 -1.317) 1.988 5.229 ( -0.031 -0.312 -1.283) 1.320 5.235 ( -0.621 0.117 -0.668) 0.919 5.243 ( -0.959 -0.519 -1.087) 1.540======================= Grid point 51 (23/30) =======================q-point: ( 0.00 -0.50 0.38)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.779 ( 0.000 -2.229 5.654) 6.078 0.779 ( 0.000 2.229 5.654) 6.078 0.838 ( 0.000 -1.235 2.947) 3.195 0.838 ( 0.000 1.235 2.947) 3.195 0.916 ( 0.000 -1.839 6.839) 7.082 0.916 ( 0.000 1.839 6.839) 7.082 1.017 ( 0.000 -3.210 2.372) 3.992 1.017 ( 0.000 3.210 2.372) 3.992 1.100 ( 0.000 -0.151 1.809) 1.815 1.100 ( 0.000 0.151 1.809) 1.815 1.110 ( 0.000 -2.135 3.409) 4.023 1.110 ( 0.000 2.135 3.409) 4.023 1.189 ( 0.000 -3.778 1.327) 4.005 1.189 ( 0.000 3.778 1.327) 4.005 1.224 ( 0.000 -2.091 -1.261) 2.442 1.224 ( 0.000 2.091 -1.261) 2.442 1.302 ( 0.000 -1.421 1.602) 2.141 1.302 ( 0.000 1.421 1.602) 2.141 1.350 ( 0.000 -0.135 1.283) 1.291 1.350 ( 0.000 0.135 1.283) 1.291 1.382 ( 0.000 -0.683 0.629) 0.929 1.382 ( 0.000 0.683 0.629) 0.929 1.409 ( 0.000 -0.916 2.334) 2.508 1.409 ( 0.000 0.916 2.334) 2.508 1.516 ( 0.000 -2.070 -2.608) 3.330 1.516 ( 0.000 2.070 -2.608) 3.330 1.555 ( 0.000 -1.377 -3.779) 4.022 1.555 ( 0.000 1.377 -3.779) 4.022 1.661 ( 0.000 -1.657 -0.783) 1.833 1.661 ( 0.000 1.657 -0.783) 1.833 1.711 ( 0.000 -1.429 -0.489) 1.510 1.711 ( 0.000 1.429 -0.489) 1.510 1.819 ( 0.000 -0.662 -1.750) 1.871 1.819 ( 0.000 0.662 -1.750) 1.871 1.844 ( 0.000 -4.089 -2.131) 4.611 1.844 ( 0.000 4.089 -2.131) 4.611 1.859 ( 0.000 -3.409 1.260) 3.635 1.859 ( 0.000 3.409 1.260) 3.634 1.931 ( 0.000 -1.990 -1.276) 2.364 1.931 ( 0.000 1.990 -1.276) 2.364 1.990 ( 0.000 -0.717 2.038) 2.160 1.990 ( 0.000 0.717 2.038) 2.160 2.034 ( 0.000 -0.175 1.440) 1.451 2.034 ( 0.000 0.175 1.440) 1.451 2.040 ( 0.000 -0.297 1.179) 1.216 2.040 ( 0.000 0.297 1.179) 1.216 2.085 ( 0.000 -0.599 -0.532) 0.801 2.085 ( 0.000 0.599 -0.532) 0.801 2.173 ( 0.000 -0.355 -0.695) 0.780 2.173 ( 0.000 0.355 -0.695) 0.780 2.215 ( 0.000 -2.086 -1.769) 2.735 2.215 ( 0.000 2.086 -1.769) 2.735 2.232 ( 0.000 -0.889 -0.324) 0.947 2.232 ( 0.000 0.889 -0.324) 0.947 2.275 ( 0.000 -2.452 -1.619) 2.938 2.275 ( 0.000 2.452 -1.619) 2.938 2.438 ( 0.000 -3.008 2.807) 4.114 2.438 ( 0.000 3.008 2.807) 4.114 2.538 ( 0.000 -2.324 0.626) 2.407 2.538 ( 0.000 2.324 0.626) 2.407 2.580 ( 0.000 -4.365 -1.559) 4.635 2.580 ( 0.000 4.365 -1.559) 4.635 2.611 ( 0.000 -0.634 -0.698) 0.943 2.611 ( 0.000 0.634 -0.698) 0.943 2.664 ( 0.000 -1.303 2.817) 3.104 2.664 ( 0.000 1.303 2.817) 3.104 2.702 ( 0.000 -1.163 1.748) 2.099 2.702 ( 0.000 1.163 1.748) 2.099 2.712 ( 0.000 -1.813 1.718) 2.498 2.712 ( 0.000 1.813 1.718) 2.498 2.812 ( 0.000 -1.034 -0.389) 1.105 2.812 ( 0.000 1.034 -0.389) 1.105 2.835 ( 0.000 -1.196 -0.062) 1.198 2.835 ( 0.000 1.196 -0.062) 1.198 2.858 ( 0.000 -0.878 -0.064) 0.881 2.858 ( 0.000 0.878 -0.064) 0.881 2.943 ( 0.000 -0.969 -2.170) 2.377 2.943 ( 0.000 0.969 -2.170) 2.377 2.986 ( 0.000 -0.508 -1.377) 1.468 2.986 ( 0.000 0.508 -1.377) 1.468 3.058 ( 0.000 -1.238 0.538) 1.349 3.058 ( 0.000 1.238 0.538) 1.349 3.092 ( 0.000 -2.431 -2.008) 3.153 3.092 ( 0.000 2.431 -2.008) 3.153 3.176 ( 0.000 -1.896 0.466) 1.953 3.176 ( 0.000 1.896 0.466) 1.953 3.235 ( 0.000 -0.296 -0.551) 0.625 3.235 ( 0.000 0.296 -0.551) 0.625 3.241 ( 0.000 -1.786 -0.791) 1.953 3.241 ( 0.000 1.786 -0.791) 1.954 3.342 ( 0.000 -0.740 0.391) 0.837 3.342 ( 0.000 0.740 0.391) 0.837 3.408 ( 0.000 -0.251 -0.442) 0.508 3.408 ( 0.000 0.251 -0.442) 0.508 3.510 ( 0.000 -0.918 1.490) 1.750 3.510 ( 0.000 0.918 1.490) 1.750 3.730 ( 0.000 -1.628 1.283) 2.073 3.730 ( 0.000 1.628 1.283) 2.073 3.777 ( 0.000 -1.942 0.001) 1.942 3.777 ( 0.000 1.942 0.001) 1.942 4.000 ( 0.000 -2.464 2.305) 3.374 4.000 ( 0.000 2.464 2.305) 3.374 4.057 ( 0.000 -1.621 1.015) 1.913 4.057 ( 0.000 1.621 1.015) 1.913 4.121 ( 0.000 -1.761 -0.501) 1.831 4.121 ( 0.000 1.761 -0.500) 1.831 4.217 ( 0.000 -1.857 -2.110) 2.811 4.217 ( 0.000 1.857 -2.110) 2.811 4.353 ( 0.000 -3.400 -1.581) 3.750 4.353 ( 0.000 3.400 -1.581) 3.750 4.385 ( 0.000 -1.831 -2.595) 3.176 4.385 ( 0.000 1.831 -2.595) 3.176 4.670 ( 0.000 -0.690 -0.676) 0.966 4.670 ( 0.000 0.690 -0.676) 0.966 4.675 ( 0.000 -0.602 -0.946) 1.121 4.675 ( 0.000 0.602 -0.946) 1.121 4.717 ( 0.000 -0.139 0.138) 0.196 4.717 ( 0.000 0.139 0.138) 0.196 4.751 ( 0.000 -0.763 -0.295) 0.818 4.751 ( 0.000 0.763 -0.295) 0.818 4.937 ( 0.000 -0.007 1.405) 1.405 4.937 ( 0.000 0.007 1.405) 1.405 4.963 ( 0.000 -1.004 1.685) 1.962 4.963 ( 0.000 1.004 1.685) 1.962 5.168 ( 0.000 -0.395 -0.189) 0.437 5.168 ( 0.000 0.395 -0.189) 0.437 5.193 ( 0.000 -0.170 -1.025) 1.039 5.193 ( 0.000 0.170 -1.025) 1.039 5.212 ( 0.000 -1.439 -1.082) 1.800 5.212 ( 0.000 1.439 -1.082) 1.800 5.242 ( 0.000 -0.100 -0.513) 0.523 5.242 ( 0.000 0.100 -0.513) 0.523======================= Grid point 53 (24/30) =======================q-point: ( 0.33 -0.50 0.38)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.799 ( 2.009 -2.236 5.368) 6.153 0.799 ( 2.009 2.236 5.368) 6.153 0.831 ( -1.251 -2.181 4.154) 4.856 0.831 ( -1.251 2.181 4.154) 4.856 0.935 ( 2.482 -2.592 5.138) 6.267 0.935 ( 2.482 2.592 5.138) 6.267 0.989 ( -3.014 -3.494 2.873) 5.436 0.989 ( -3.014 3.494 2.873) 5.436 1.099 ( 0.243 -1.817 2.960) 3.482 1.099 ( 0.243 1.817 2.960) 3.482 1.106 ( -0.429 -2.282 3.178) 3.936 1.106 ( -0.429 2.282 3.178) 3.936 1.200 ( 1.013 -3.688 0.206) 3.830 1.200 ( 1.013 3.688 0.206) 3.830 1.217 ( -0.805 -3.078 -1.027) 3.343 1.217 ( -0.805 3.078 -1.027) 3.343 1.315 ( 1.355 -1.320 1.496) 2.412 1.315 ( 1.356 1.320 1.496) 2.412 1.340 ( -1.262 -0.836 1.176) 1.917 1.340 ( -1.262 0.836 1.176) 1.917 1.386 ( 0.703 -0.678 1.616) 1.888 1.386 ( 0.703 0.678 1.616) 1.888 1.402 ( -0.852 -0.844 2.395) 2.679 1.402 ( -0.852 0.844 2.395) 2.679 1.525 ( 1.033 -2.020 -3.238) 3.954 1.525 ( 1.033 2.020 -3.238) 3.954 1.545 ( -1.058 -1.635 -3.769) 4.242 1.545 ( -1.058 1.635 -3.769) 4.242 1.674 ( 1.299 -1.518 -0.774) 2.142 1.674 ( 1.299 1.518 -0.774) 2.142 1.698 ( -1.303 -1.331 -0.644) 1.971 1.698 ( -1.303 1.331 -0.644) 1.971 1.822 ( 0.386 -1.123 -1.686) 2.062 1.822 ( 0.386 1.123 -1.686) 2.062 1.833 ( -0.798 -2.870 -1.771) 3.465 1.833 ( -0.798 2.870 -1.771) 3.466 1.880 ( 1.919 -3.218 0.473) 3.776 1.880 ( 1.919 3.218 0.473) 3.776 1.915 ( -1.802 -2.579 -0.524) 3.189 1.915 ( -1.802 2.579 -0.524) 3.189 1.999 ( 0.997 -1.228 1.973) 2.529 1.999 ( 0.997 1.228 1.973) 2.529 2.022 ( -1.440 -1.418 1.785) 2.697 2.022 ( -1.440 1.418 1.785) 2.697 2.045 ( 0.958 -0.952 0.238) 1.371 2.045 ( 0.958 0.952 0.238) 1.371 2.067 ( -1.469 -0.822 -0.529) 1.764 2.067 ( -1.469 0.822 -0.529) 1.764 2.192 ( 1.635 -0.940 -0.249) 1.903 2.192 ( 1.635 0.940 -0.249) 1.903 2.218 ( -1.296 -0.463 -0.284) 1.405 2.218 ( -1.296 0.463 -0.284) 1.405 2.238 ( 1.973 -2.523 -1.543) 3.555 2.238 ( 1.973 2.523 -1.543) 3.555 2.266 ( -1.085 -2.565 -1.720) 3.273 2.266 ( -1.085 2.565 -1.720) 3.273 2.460 ( 2.223 -2.582 1.827) 3.866 2.460 ( 2.223 2.582 1.827) 3.866 2.503 ( -2.707 -2.016 0.705) 3.448 2.503 ( -2.707 2.016 0.705) 3.448 2.595 ( 0.927 -2.667 -1.189) 3.064 2.595 ( 0.927 2.667 -1.189) 3.064 2.614 ( -0.465 -0.818 -1.652) 1.901 2.614 ( -0.465 0.818 -1.652) 1.901 2.663 ( 0.654 -1.687 3.868) 4.271 2.663 ( 0.654 1.687 3.868) 4.271 2.687 ( -1.552 -1.318 2.616) 3.315 2.687 ( -1.552 1.318 2.616) 3.315 2.728 ( 2.238 -2.735 1.178) 3.725 2.728 ( 2.238 2.735 1.178) 3.725 2.779 ( -3.257 -2.362 0.983) 4.142 2.779 ( -3.257 2.362 0.983) 4.142 2.846 ( 0.666 -1.234 -0.837) 1.633 2.846 ( 0.666 1.234 -0.837) 1.633 2.854 ( -0.036 -1.431 -0.608) 1.556 2.854 ( -0.036 1.431 -0.608) 1.556 2.963 ( 1.552 -0.150 -2.476) 2.926 2.963 ( 1.552 0.150 -2.476) 2.926 2.983 ( -0.620 -0.388 -1.829) 1.969 2.983 ( -0.620 0.388 -1.829) 1.969 3.078 ( 2.211 -0.420 0.251) 2.265 3.078 ( 2.211 0.420 0.251) 2.265 3.109 ( -0.034 -0.224 -1.133) 1.155 3.109 ( -0.034 0.224 -1.133) 1.155 3.192 ( 2.799 -2.759 0.634) 3.981 3.192 ( 2.799 2.759 0.634) 3.981 3.229 ( -0.673 -1.275 -0.146) 1.449 3.229 ( -0.673 1.275 -0.146) 1.449 3.242 ( 0.372 -1.466 -0.984) 1.805 3.242 ( 0.372 1.466 -0.984) 1.805 3.290 ( -4.796 -0.843 -0.185) 4.873 3.290 ( -4.796 0.843 -0.185) 4.873 3.432 ( 2.273 -0.991 0.113) 2.483 3.432 ( 2.273 0.991 0.113) 2.483 3.479 ( -2.902 -1.125 0.879) 3.234 3.479 ( -2.902 1.125 0.879) 3.234 3.750 ( 1.764 -1.586 1.146) 2.634 3.750 ( 1.764 1.586 1.146) 2.634 3.773 ( -0.724 -1.856 0.429) 2.038 3.773 ( -0.724 1.856 0.429) 2.038 4.012 ( 1.460 -2.630 2.372) 3.831 4.012 ( 1.460 2.630 2.372) 3.831 4.043 ( -1.671 -2.327 1.793) 3.379 4.043 ( -1.671 2.327 1.793) 3.379 4.143 ( 2.461 -1.589 -1.425) 3.257 4.143 ( 2.461 1.589 -1.425) 3.257 4.191 ( -2.674 -1.804 -1.990) 3.791 4.191 ( -2.674 1.804 -1.990) 3.791 4.366 ( 1.137 -2.993 -1.870) 3.708 4.366 ( 1.137 2.993 -1.870) 3.708 4.381 ( -0.526 -2.240 -2.356) 3.293 4.381 ( -0.526 2.240 -2.356) 3.293 4.671 ( 0.097 -0.680 -0.735) 1.006 4.671 ( 0.097 0.680 -0.735) 1.006 4.673 ( -0.144 -0.636 -0.870) 1.087 4.673 ( -0.144 0.636 -0.870) 1.087 4.724 ( 0.787 -0.258 0.070) 0.831 4.724 ( 0.787 0.258 0.070) 0.831 4.741 ( -0.981 -0.564 -0.134) 1.140 4.741 ( -0.981 0.564 -0.134) 1.140 4.945 ( 0.764 -0.654 1.442) 1.758 4.945 ( 0.764 0.654 1.442) 1.758 4.957 ( -0.597 -0.921 1.587) 1.929 4.957 ( -0.597 0.921 1.587) 1.929 5.173 ( 0.598 -0.786 -0.485) 1.100 5.173 ( 0.598 0.786 -0.485) 1.100 5.185 ( -0.717 -0.670 -0.932) 1.353 5.185 ( -0.717 0.670 -0.932) 1.353 5.221 ( 0.851 -0.535 -0.849) 1.316 5.221 ( 0.851 0.535 -0.849) 1.316 5.235 ( -0.700 -0.074 -0.596) 0.922 5.235 ( -0.700 0.074 -0.596) 0.922======================= Grid point 60 (25/30) =======================q-point: ( 0.00 0.00 -0.50)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 18Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.811 ( 0.000 0.000 -3.600) 3.600 0.811 ( 0.000 0.000 3.600) 3.600 0.863 ( 0.000 0.000 -1.696) 1.696 0.863 ( 0.000 0.000 1.696) 1.696 0.999 ( 0.000 0.000 -0.046) 0.046 0.999 ( 0.000 0.000 0.046) 0.046 1.056 ( 0.000 0.000 -1.757) 1.757 1.056 ( 0.000 0.000 1.757) 1.757 1.104 ( 0.000 0.000 -1.636) 1.636 1.104 ( 0.000 0.000 1.636) 1.636 1.122 ( 0.000 0.000 -2.123) 2.123 1.122 ( 0.000 0.000 2.123) 2.123 1.161 ( 0.000 0.000 -3.368) 3.368 1.161 ( 0.000 0.000 3.368) 3.368 1.264 ( 0.000 0.000 -2.491) 2.491 1.264 ( 0.000 0.000 2.491) 2.491 1.333 ( 0.000 0.000 -0.619) 0.619 1.333 ( 0.000 0.000 0.619) 0.619 1.381 ( 0.000 0.000 -4.293) 4.293 1.381 ( 0.000 0.000 4.293) 4.293 1.409 ( 0.000 0.000 -1.782) 1.782 1.409 ( 0.000 0.000 1.782) 1.782 1.446 ( 0.000 0.000 -2.879) 2.879 1.446 ( 0.000 0.000 2.879) 2.879 1.494 ( 0.000 0.000 -0.381) 0.381 1.494 ( 0.000 0.000 0.381) 0.381 1.596 ( 0.000 0.000 -1.562) 1.562 1.596 ( 0.000 0.000 1.562) 1.562 1.622 ( 0.000 0.000 -1.330) 1.330 1.622 ( 0.000 0.000 1.330) 1.330 1.645 ( 0.000 0.000 -1.328) 1.328 1.645 ( 0.000 0.000 1.328) 1.328 1.727 ( 0.000 0.000 -3.628) 3.628 1.727 ( 0.000 0.000 3.628) 3.628 1.797 ( 0.000 0.000 -0.573) 0.573 1.797 ( 0.000 0.000 0.573) 0.573 1.861 ( 0.000 0.000 -1.789) 1.789 1.861 ( 0.000 0.000 1.789) 1.789 2.023 ( 0.000 0.000 -0.730) 0.730 2.023 ( 0.000 0.000 0.730) 0.730 2.034 ( 0.000 0.000 -0.977) 0.977 2.034 ( 0.000 0.000 0.977) 0.977 2.065 ( 0.000 0.000 -0.526) 0.526 2.065 ( 0.000 0.000 0.526) 0.526 2.082 ( 0.000 0.000 -0.179) 0.179 2.082 ( 0.000 0.000 0.179) 0.179 2.102 ( 0.000 0.000 -1.368) 1.368 2.102 ( 0.000 0.000 1.368) 1.368 2.103 ( 0.000 0.000 -2.587) 2.587 2.103 ( 0.000 0.000 2.587) 2.587 2.155 ( 0.000 0.000 -0.448) 0.448 2.155 ( 0.000 0.000 0.448) 0.448 2.241 ( 0.000 0.000 -1.113) 1.113 2.241 ( 0.000 0.000 1.113) 1.113 2.280 ( 0.000 0.000 -3.099) 3.099 2.280 ( 0.000 0.000 3.099) 3.099 2.366 ( 0.000 0.000 -1.593) 1.593 2.366 ( 0.000 0.000 1.593) 1.593 2.505 ( 0.000 0.000 -0.500) 0.500 2.505 ( 0.000 0.000 0.500) 0.500 2.573 ( 0.000 0.000 -1.849) 1.849 2.573 ( 0.000 0.000 1.849) 1.849 2.607 ( 0.000 0.000 -2.696) 2.696 2.607 ( 0.000 0.000 2.696) 2.696 2.656 ( 0.000 0.000 -1.870) 1.870 2.656 ( 0.000 0.000 1.870) 1.870 2.788 ( 0.000 0.000 -2.688) 2.688 2.788 ( 0.000 0.000 2.688) 2.688 2.807 ( 0.000 0.000 -4.284) 4.284 2.807 ( 0.000 0.000 4.284) 4.284 2.831 ( 0.000 0.000 -0.272) 0.272 2.831 ( 0.000 0.000 0.272) 0.272 2.853 ( 0.000 0.000 -4.153) 4.153 2.853 ( 0.000 0.000 4.153) 4.153 2.858 ( 0.000 0.000 -1.286) 1.286 2.858 ( 0.000 0.000 1.286) 1.286 2.927 ( 0.000 0.000 -0.127) 0.127 2.927 ( 0.000 0.000 0.127) 0.127 2.943 ( 0.000 0.000 -1.101) 1.101 2.943 ( 0.000 0.000 1.101) 1.101 3.022 ( 0.000 0.000 -2.369) 2.369 3.022 ( 0.000 0.000 2.369) 2.369 3.023 ( 0.000 0.000 -0.649) 0.649 3.023 ( 0.000 0.000 0.649) 0.649 3.074 ( 0.000 0.000 -0.882) 0.882 3.074 ( 0.000 0.000 0.882) 0.882 3.241 ( 0.000 0.000 -0.411) 0.411 3.241 ( 0.000 0.000 0.411) 0.411 3.323 ( 0.000 0.000 -0.323) 0.323 3.323 ( 0.000 0.000 0.323) 0.323 3.324 ( 0.000 0.000 -1.402) 1.402 3.324 ( 0.000 0.000 1.402) 1.402 3.452 ( 0.000 0.000 -1.022) 1.022 3.452 ( 0.000 0.000 1.022) 1.022 3.567 ( 0.000 0.000 -0.124) 0.124 3.567 ( 0.000 0.000 0.124) 0.124 3.651 ( 0.000 0.000 -0.637) 0.637 3.651 ( 0.000 0.000 0.637) 0.637 3.817 ( 0.000 0.000 -2.206) 2.206 3.817 ( 0.000 0.000 2.206) 2.206 3.985 ( 0.000 0.000 -3.095) 3.095 3.985 ( 0.000 0.000 3.095) 3.095 4.078 ( 0.000 0.000 -3.460) 3.460 4.078 ( 0.000 0.000 3.460) 3.460 4.101 ( 0.000 0.000 -1.838) 1.838 4.101 ( 0.000 0.000 1.838) 1.838 4.213 ( 0.000 0.000 -2.571) 2.571 4.213 ( 0.000 0.000 2.571) 2.571 4.228 ( 0.000 0.000 -1.356) 1.356 4.228 ( 0.000 0.000 1.356) 1.356 4.546 ( 0.000 0.000 -0.710) 0.710 4.546 ( 0.000 0.000 0.710) 0.710 4.574 ( 0.000 0.000 -0.319) 0.319 4.574 ( 0.000 0.000 0.319) 0.319 4.701 ( 0.000 0.000 -0.352) 0.352 4.701 ( 0.000 0.000 0.352) 0.352 4.709 ( 0.000 0.000 -0.064) 0.064 4.709 ( 0.000 0.000 0.064) 0.064 4.724 ( 0.000 0.000 -0.522) 0.522 4.724 ( 0.000 0.000 0.522) 0.522 4.934 ( 0.000 0.000 -0.588) 0.588 4.934 ( 0.000 0.000 0.588) 0.588 5.023 ( 0.000 0.000 -2.285) 2.285 5.023 ( 0.000 0.000 2.285) 2.285 5.157 ( 0.000 0.000 -1.514) 1.514 5.157 ( 0.000 0.000 1.514) 1.514 5.199 ( 0.000 0.000 -0.031) 0.031 5.199 ( 0.000 0.000 0.031) 0.031 5.210 ( 0.000 0.000 -1.590) 1.590 5.210 ( 0.000 0.000 1.590) 1.590 5.236 ( 0.000 0.000 -0.464) 0.464 5.236 ( 0.000 0.000 0.464) 0.464======================= Grid point 62 (26/30) =======================q-point: ( 0.33 0.00 -0.50)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( -0.046 0.000 -1.795) 1.795 0.810 ( -0.046 0.000 1.795) 1.795 0.861 ( -0.083 0.000 -0.844) 0.848 0.861 ( -0.083 0.000 0.844) 0.848 1.003 ( 0.258 0.000 -0.055) 0.264 1.003 ( 0.258 0.000 0.055) 0.264 1.052 ( -0.288 0.000 -0.897) 0.942 1.052 ( -0.288 0.000 0.897) 0.942 1.097 ( -0.433 0.000 -0.657) 0.786 1.097 ( -0.433 0.000 0.657) 0.786 1.124 ( 0.214 0.000 -1.099) 1.120 1.124 ( 0.214 0.000 1.099) 1.120 1.171 ( 0.643 0.000 -1.380) 1.522 1.171 ( 0.643 0.000 1.380) 1.522 1.276 ( 0.918 0.000 -1.395) 1.670 1.276 ( 0.918 0.000 1.395) 1.670 1.326 ( -0.608 0.000 -0.545) 0.817 1.326 ( -0.608 0.000 0.545) 0.817 1.385 ( 0.399 0.000 -3.739) 3.760 1.385 ( 0.399 0.000 3.739) 3.760 1.400 ( -0.758 0.000 -2.681) 2.786 1.400 ( -0.758 0.000 2.681) 2.786 1.448 ( 0.057 0.000 -1.283) 1.285 1.448 ( 0.057 0.000 1.284) 1.285 1.491 ( -0.220 0.000 -0.327) 0.394 1.491 ( -0.220 0.000 0.327) 0.394 1.598 ( 0.177 0.000 -0.789) 0.808 1.598 ( 0.177 0.000 0.789) 0.808 1.620 ( -0.164 0.000 -0.724) 0.743 1.620 ( -0.164 0.000 0.724) 0.743 1.647 ( 0.142 0.000 -0.786) 0.799 1.647 ( 0.142 0.000 0.786) 0.799 1.729 ( 0.172 0.000 -1.938) 1.945 1.729 ( 0.172 0.000 1.938) 1.945 1.791 ( -0.420 0.000 -0.376) 0.563 1.791 ( -0.420 0.000 0.376) 0.563 1.862 ( 0.043 0.000 -0.915) 0.916 1.862 ( 0.043 0.000 0.915) 0.916 2.020 ( -0.207 0.000 -0.421) 0.469 2.020 ( -0.207 0.000 0.421) 0.469 2.035 ( 0.257 0.000 -0.829) 0.868 2.035 ( 0.257 0.000 0.829) 0.868 2.048 ( -1.130 0.000 -0.232) 1.153 2.048 ( -1.130 0.000 0.232) 1.153 2.076 ( -0.337 0.000 -0.406) 0.527 2.076 ( -0.337 0.000 0.406) 0.527 2.105 ( -0.030 0.000 -0.623) 0.623 2.105 ( -0.030 0.000 0.623) 0.623 2.109 ( 0.363 0.000 -1.618) 1.658 2.109 ( 0.363 0.000 1.618) 1.658 2.150 ( -0.378 0.000 -0.811) 0.895 2.150 ( -0.378 0.000 0.811) 0.895 2.255 ( 1.226 0.000 -1.429) 1.883 2.255 ( 1.226 0.000 1.429) 1.883 2.282 ( -0.074 0.000 -2.265) 2.266 2.282 ( -0.074 0.000 2.265) 2.266 2.392 ( 2.245 0.000 -1.251) 2.570 2.392 ( 2.245 0.000 1.251) 2.570 2.481 ( -2.107 0.000 -0.906) 2.293 2.481 ( -2.107 0.000 0.906) 2.293 2.578 ( 0.298 0.000 -1.080) 1.120 2.578 ( 0.298 0.000 1.080) 1.120 2.610 ( 0.689 0.000 -2.257) 2.360 2.610 ( 0.689 0.000 2.257) 2.360 2.638 ( -1.650 0.000 -1.736) 2.395 2.638 ( -1.650 0.000 1.736) 2.395 2.778 ( -1.148 0.000 -1.325) 1.753 2.778 ( -1.148 0.000 1.325) 1.753 2.814 ( 0.542 0.000 -2.756) 2.808 2.814 ( 0.542 0.000 2.756) 2.808 2.815 ( -0.468 0.000 -2.147) 2.198 2.815 ( -0.468 0.000 2.147) 2.198 2.832 ( -0.041 0.000 -2.054) 2.055 2.832 ( -0.041 0.000 2.054) 2.055 2.894 ( 0.573 0.000 -0.526) 0.778 2.894 ( 0.573 0.000 0.526) 0.778 2.942 ( 1.394 0.000 -0.972) 1.700 2.942 ( 1.394 0.000 0.972) 1.700 2.964 ( 1.740 0.000 -1.634) 2.387 2.964 ( 1.740 0.000 1.634) 2.387 3.009 ( -1.194 0.000 -1.330) 1.787 3.009 ( -1.194 0.000 1.330) 1.787 3.024 ( -0.321 0.000 -0.699) 0.769 3.024 ( -0.321 0.000 0.699) 0.769 3.110 ( 4.326 0.000 -0.491) 4.354 3.110 ( 4.326 0.000 0.491) 4.354 3.200 ( -4.394 0.000 -0.294) 4.404 3.200 ( -4.394 0.000 0.294) 4.404 3.313 ( -0.788 0.000 -0.780) 1.109 3.313 ( -0.788 0.000 0.780) 1.109 3.317 ( -0.291 0.000 -0.258) 0.389 3.317 ( -0.291 0.000 0.258) 0.389 3.472 ( 1.797 0.000 -0.746) 1.946 3.472 ( 1.797 0.000 0.746) 1.946 3.542 ( -2.094 0.000 -0.475) 2.147 3.542 ( -2.094 0.000 0.475) 2.147 3.666 ( 1.033 0.000 -0.289) 1.073 3.666 ( 1.033 0.000 0.289) 1.073 3.810 ( -0.543 0.000 -1.130) 1.254 3.810 ( -0.543 0.000 1.130) 1.254 3.984 ( -0.031 0.000 -1.797) 1.797 3.984 ( -0.031 0.000 1.797) 1.797 4.078 ( 0.029 0.000 -1.923) 1.923 4.078 ( 0.029 0.000 1.923) 1.923 4.135 ( 3.275 0.000 -1.982) 3.828 4.135 ( 3.275 0.000 1.982) 3.828 4.190 ( -2.565 0.000 -2.381) 3.499 4.190 ( -2.565 0.000 2.381) 3.499 4.228 ( -0.007 0.000 -0.694) 0.694 4.228 ( -0.007 0.000 0.694) 0.694 4.545 ( -0.074 0.000 -0.359) 0.367 4.545 ( -0.074 0.000 0.359) 0.367 4.574 ( -0.013 0.000 -0.159) 0.160 4.574 ( -0.013 0.000 0.159) 0.160 4.703 ( 0.172 0.000 -0.250) 0.303 4.703 ( 0.172 0.000 0.250) 0.303 4.709 ( 0.026 0.000 -0.032) 0.042 4.709 ( 0.026 0.000 0.032) 0.042 4.720 ( -0.296 0.000 -0.342) 0.452 4.720 ( -0.296 0.000 0.342) 0.452 4.937 ( 0.182 0.000 -0.355) 0.399 4.937 ( 0.182 0.000 0.355) 0.399 5.021 ( -0.099 0.000 -1.166) 1.170 5.021 ( -0.099 0.000 1.166) 1.170 5.156 ( -0.045 0.000 -0.740) 0.741 5.156 ( -0.045 0.000 0.740) 0.741 5.207 ( 0.852 0.000 -0.304) 0.904 5.207 ( 0.852 0.000 0.304) 0.904 5.211 ( 0.040 0.000 -0.778) 0.779 5.211 ( 0.040 0.000 0.778) 0.779 5.228 ( -0.818 0.000 -0.464) 0.940 5.228 ( -0.818 0.000 0.464) 0.940======================= Grid point 66 (27/30) =======================q-point: ( 0.00 0.25 -0.50)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 20Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 0.000 1.110 -2.876) 3.083 0.823 ( 0.000 1.110 2.876) 3.083 0.871 ( 0.000 0.108 -2.051) 2.054 0.871 ( 0.000 0.108 2.051) 2.054 0.981 ( 0.000 -0.524 -0.238) 0.575 0.981 ( 0.000 -0.524 0.238) 0.575 1.075 ( 0.000 -0.522 -1.351) 1.448 1.075 ( 0.000 -0.522 1.351) 1.448 1.100 ( 0.000 1.323 -1.838) 2.265 1.100 ( 0.000 1.323 1.838) 2.265 1.126 ( 0.000 0.716 -1.492) 1.655 1.126 ( 0.000 0.716 1.492) 1.655 1.167 ( 0.000 0.477 -1.551) 1.623 1.167 ( 0.000 0.477 1.551) 1.623 1.250 ( 0.000 -1.855 -1.515) 2.395 1.250 ( 0.000 -1.855 1.515) 2.395 1.334 ( 0.000 0.136 -2.562) 2.566 1.334 ( 0.000 0.136 2.562) 2.566 1.368 ( 0.000 -1.707 -1.895) 2.551 1.368 ( 0.000 -1.707 1.895) 2.551 1.384 ( 0.000 -0.919 -1.733) 1.962 1.384 ( 0.000 -0.919 1.733) 1.962 1.458 ( 0.000 0.182 -1.047) 1.062 1.458 ( 0.000 0.182 1.047) 1.062 1.472 ( 0.000 -0.528 -0.541) 0.756 1.472 ( 0.000 -0.528 0.541) 0.756 1.562 ( 0.000 -3.256 -0.139) 3.259 1.562 ( 0.000 -3.256 0.139) 3.259 1.628 ( 0.000 1.661 -0.854) 1.868 1.628 ( 0.000 1.661 0.854) 1.868 1.703 ( 0.000 3.612 -0.122) 3.615 1.703 ( 0.000 3.612 0.122) 3.615 1.721 ( 0.000 1.244 -0.867) 1.516 1.721 ( 0.000 1.244 0.867) 1.516 1.829 ( 0.000 0.219 -1.592) 1.607 1.829 ( 0.000 0.219 1.592) 1.607 1.845 ( 0.000 0.294 -0.405) 0.500 1.845 ( 0.000 0.294 0.405) 0.500 2.016 ( 0.000 -2.805 -0.627) 2.874 2.016 ( 0.000 -2.805 0.627) 2.874 2.032 ( 0.000 -1.836 -0.884) 2.038 2.032 ( 0.000 -1.836 0.884) 2.038 2.060 ( 0.000 -1.469 -0.932) 1.740 2.060 ( 0.000 -1.469 0.932) 1.740 2.067 ( 0.000 -1.103 -0.831) 1.381 2.067 ( 0.000 -1.103 0.831) 1.381 2.085 ( 0.000 1.316 -0.793) 1.537 2.085 ( 0.000 1.316 0.793) 1.537 2.122 ( 0.000 2.204 -0.252) 2.218 2.122 ( 0.000 2.204 0.252) 2.218 2.178 ( 0.000 2.230 -0.046) 2.230 2.178 ( 0.000 2.230 0.046) 2.230 2.221 ( 0.000 -2.310 -1.511) 2.760 2.221 ( 0.000 -2.310 1.511) 2.760 2.271 ( 0.000 0.161 -2.141) 2.147 2.271 ( 0.000 0.161 2.141) 2.147 2.396 ( 0.000 3.365 -1.932) 3.880 2.396 ( 0.000 3.365 1.932) 3.880 2.514 ( 0.000 1.514 -0.630) 1.640 2.514 ( 0.000 1.514 0.630) 1.640 2.595 ( 0.000 -0.340 -0.883) 0.946 2.595 ( 0.000 -0.340 0.883) 0.946 2.618 ( 0.000 0.039 -2.054) 2.055 2.618 ( 0.000 0.039 2.054) 2.055 2.675 ( 0.000 2.125 -0.905) 2.310 2.675 ( 0.000 2.125 0.905) 2.310 2.748 ( 0.000 -4.059 -0.342) 4.074 2.748 ( 0.000 -4.059 0.342) 4.074 2.774 ( 0.000 -1.865 -0.170) 1.873 2.774 ( 0.000 -1.865 0.170) 1.873 2.793 ( 0.000 -1.216 -1.774) 2.151 2.793 ( 0.000 -1.216 1.774) 2.151 2.845 ( 0.000 -1.071 -0.337) 1.122 2.845 ( 0.000 -1.071 0.337) 1.122 2.887 ( 0.000 1.762 -2.739) 3.257 2.887 ( 0.000 1.762 2.739) 3.257 2.921 ( 0.000 -1.039 -1.585) 1.895 2.921 ( 0.000 -1.039 1.585) 1.895 2.968 ( 0.000 -0.326 -0.885) 0.943 2.968 ( 0.000 -0.326 0.885) 0.943 2.985 ( 0.000 3.388 -0.425) 3.415 2.985 ( 0.000 3.388 0.425) 3.415 3.075 ( 0.000 1.018 -0.601) 1.182 3.075 ( 0.000 1.018 0.601) 1.182 3.132 ( 0.000 3.907 -0.035) 3.907 3.132 ( 0.000 3.907 0.035) 3.907 3.230 ( 0.000 -0.533 -0.121) 0.547 3.230 ( 0.000 -0.533 0.121) 0.547 3.285 ( 0.000 -2.904 -0.501) 2.947 3.285 ( 0.000 -2.904 0.501) 2.947 3.345 ( 0.000 0.766 -1.076) 1.321 3.345 ( 0.000 0.766 1.076) 1.321 3.424 ( 0.000 -1.915 -0.530) 1.987 3.424 ( 0.000 -1.915 0.530) 1.987 3.543 ( 0.000 -1.490 -0.337) 1.528 3.543 ( 0.000 -1.490 0.337) 1.528 3.692 ( 0.000 3.043 -0.796) 3.145 3.692 ( 0.000 3.043 0.796) 3.145 3.807 ( 0.000 -1.171 -1.518) 1.917 3.807 ( 0.000 -1.171 1.518) 1.917 4.003 ( 0.000 1.686 -2.924) 3.376 4.003 ( 0.000 1.686 2.924) 3.376 4.076 ( 0.000 -0.544 -1.585) 1.675 4.076 ( 0.000 -0.544 1.585) 1.675 4.105 ( 0.000 0.587 -3.065) 3.120 4.105 ( 0.000 0.587 3.065) 3.120 4.204 ( 0.000 -0.801 -2.339) 2.472 4.204 ( 0.000 -0.801 2.339) 2.472 4.261 ( 0.000 3.043 -1.198) 3.270 4.261 ( 0.000 3.043 1.198) 3.270 4.457 ( 0.000 -5.256 -0.343) 5.267 4.457 ( 0.000 -5.256 0.343) 5.267 4.631 ( 0.000 2.331 -0.234) 2.343 4.631 ( 0.000 2.331 0.234) 2.343 4.686 ( 0.000 -0.952 -0.123) 0.960 4.686 ( 0.000 -0.952 0.123) 0.960 4.715 ( 0.000 0.317 -0.183) 0.365 4.715 ( 0.000 0.317 0.183) 0.365 4.738 ( 0.000 0.832 -0.544) 0.994 4.738 ( 0.000 0.832 0.544) 0.994 4.940 ( 0.000 0.565 -0.315) 0.647 4.940 ( 0.000 0.565 0.315) 0.647 5.002 ( 0.000 -1.533 -1.225) 1.962 5.002 ( 0.000 -1.533 1.225) 1.962 5.167 ( 0.000 0.396 -0.309) 0.502 5.167 ( 0.000 0.396 0.309) 0.502 5.191 ( 0.000 -0.573 -0.118) 0.585 5.191 ( 0.000 -0.573 0.118) 0.585 5.198 ( 0.000 -0.486 -1.587) 1.660 5.198 ( 0.000 -0.486 1.587) 1.660 5.238 ( 0.000 0.045 -0.258) 0.262 5.238 ( 0.000 0.045 0.258) 0.262======================= Grid point 68 (28/30) =======================q-point: ( 0.33 0.25 -0.50)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 30Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.823 ( 0.090 1.317 -1.443) 1.956 0.823 ( 0.089 1.317 1.443) 1.956 0.878 ( 0.366 1.068 -1.063) 1.551 0.878 ( 0.366 1.068 1.063) 1.551 0.980 ( 0.036 -1.467 -0.190) 1.479 0.980 ( 0.036 -1.467 0.190) 1.479 1.076 ( 0.092 -1.918 -1.022) 2.175 1.076 ( 0.092 -1.918 1.022) 2.175 1.096 ( -0.280 3.188 -1.328) 3.465 1.096 ( -0.280 3.188 1.328) 3.465 1.127 ( -0.013 0.719 -1.182) 1.383 1.127 ( -0.013 0.719 1.182) 1.383 1.167 ( 0.051 -0.256 -1.054) 1.085 1.167 ( 0.051 -0.256 1.054) 1.085 1.253 ( 0.193 -2.209 -0.744) 2.339 1.253 ( 0.193 -2.209 0.744) 2.339 1.337 ( 0.206 1.015 -2.053) 2.299 1.337 ( 0.206 1.015 2.053) 2.299 1.362 ( -0.451 -1.892 -1.897) 2.717 1.362 ( -0.451 -1.892 1.897) 2.717 1.382 ( -0.117 -1.099 -0.953) 1.459 1.382 ( -0.117 -1.099 0.953) 1.459 1.455 ( -0.263 0.696 -0.662) 0.996 1.455 ( -0.263 0.696 0.662) 0.996 1.479 ( 0.496 -1.012 -0.269) 1.159 1.479 ( 0.496 -1.012 0.269) 1.159 1.560 ( -0.123 -3.361 -0.144) 3.367 1.560 ( -0.123 -3.361 0.144) 3.367 1.631 ( 0.246 1.938 -0.482) 2.012 1.631 ( 0.246 1.938 0.482) 2.012 1.703 ( 0.193 3.253 -0.431) 3.287 1.703 ( 0.193 3.253 0.431) 3.287 1.713 ( -0.740 1.008 -0.400) 1.313 1.713 ( -0.740 1.008 0.400) 1.313 1.831 ( 0.294 1.448 -1.358) 2.007 1.831 ( 0.294 1.448 1.358) 2.007 1.843 ( -0.251 -0.648 -0.671) 0.966 1.843 ( -0.251 -0.648 0.671) 0.966 2.016 ( -0.024 -2.902 -0.603) 2.964 2.016 ( -0.024 -2.902 0.603) 2.964 2.029 ( -0.227 -1.740 -0.496) 1.823 2.029 ( -0.227 -1.740 0.496) 1.823 2.051 ( -0.128 -0.456 -0.548) 0.725 2.051 ( -0.128 -0.456 0.548) 0.725 2.061 ( -0.749 -0.600 -0.950) 1.350 2.061 ( -0.749 -0.600 0.950) 1.350 2.082 ( -0.198 -0.977 -0.303) 1.042 2.082 ( -0.198 -0.977 0.303) 1.042 2.128 ( 0.473 3.682 -0.310) 3.725 2.128 ( 0.473 3.682 0.310) 3.725 2.176 ( -0.178 2.097 -0.132) 2.109 2.176 ( -0.178 2.097 0.132) 2.109 2.235 ( 0.863 -2.604 -0.922) 2.894 2.235 ( 0.863 -2.604 0.922) 2.894 2.273 ( 0.204 0.271 -1.293) 1.337 2.273 ( 0.204 0.271 1.293) 1.337 2.415 ( 1.647 2.694 -1.272) 3.404 2.415 ( 1.647 2.694 1.272) 3.404 2.491 ( -1.908 1.352 -0.672) 2.433 2.491 ( -1.908 1.352 0.672) 2.433 2.601 ( 0.474 -0.664 -1.423) 1.640 2.601 ( 0.474 -0.664 1.423) 1.640 2.611 ( -0.538 0.174 -1.915) 1.996 2.611 ( -0.538 0.174 1.915) 1.996 2.667 ( -0.517 2.972 -0.420) 3.046 2.667 ( -0.517 2.972 0.420) 3.046 2.748 ( -0.304 -2.680 -1.010) 2.880 2.748 ( -0.304 -2.680 1.010) 2.880 2.768 ( -0.095 -2.820 -0.421) 2.852 2.768 ( -0.095 -2.820 0.421) 2.853 2.805 ( 1.081 -1.152 -0.697) 1.727 2.805 ( 1.081 -1.152 0.697) 1.727 2.828 ( -1.293 -0.059 -1.982) 2.367 2.828 ( -1.293 -0.059 1.982) 2.367 2.905 ( 0.752 0.072 -2.104) 2.236 2.905 ( 0.752 0.072 2.104) 2.236 2.929 ( 0.673 -1.275 -1.313) 1.950 2.929 ( 0.673 -1.275 1.313) 1.950 2.938 ( -0.743 0.416 -0.989) 1.305 2.938 ( -0.743 0.416 0.989) 1.305 3.046 ( 3.251 2.963 -0.375) 4.415 3.046 ( 3.251 2.963 0.375) 4.415 3.075 ( 0.001 1.827 -0.357) 1.861 3.075 ( 0.001 1.827 0.357) 1.861 3.144 ( 1.834 3.107 -0.478) 3.639 3.144 ( 1.834 3.107 0.478) 3.639 3.200 ( -3.236 0.478 -0.221) 3.279 3.200 ( -3.236 0.478 0.221) 3.279 3.288 ( 0.508 -2.464 -0.497) 2.564 3.288 ( 0.508 -2.464 0.497) 2.564 3.314 ( -2.326 -0.749 -0.520) 2.499 3.314 ( -2.326 -0.749 0.520) 2.499 3.447 ( 2.068 -1.557 -0.687) 2.678 3.447 ( 2.068 -1.557 0.687) 2.678 3.513 ( -2.564 -1.972 -0.574) 3.285 3.513 ( -2.564 -1.972 0.574) 3.285 3.707 ( 1.057 3.112 -0.349) 3.305 3.707 ( 1.057 3.112 0.349) 3.305 3.805 ( -0.207 -0.749 -0.818) 1.128 3.805 ( -0.207 -0.749 0.818) 1.128 4.003 ( -0.035 1.802 -1.659) 2.449 4.003 ( -0.035 1.802 1.659) 2.449 4.085 ( 0.216 0.193 -1.271) 1.303 4.085 ( 0.216 0.193 1.271) 1.303 4.123 ( 2.458 -0.814 -2.300) 3.463 4.123 ( 2.458 -0.814 2.300) 3.463 4.179 ( -2.512 -0.892 -2.201) 3.457 4.179 ( -2.512 -0.892 2.201) 3.457 4.264 ( 0.209 3.253 -0.600) 3.314 4.264 ( 0.209 3.253 0.600) 3.314 4.458 ( 0.085 -5.119 -0.172) 5.122 4.458 ( 0.085 -5.119 0.172) 5.122 4.630 ( -0.030 2.350 -0.118) 2.353 4.630 ( -0.030 2.350 0.118) 2.353 4.686 ( -0.011 -0.973 -0.063) 0.976 4.686 ( -0.011 -0.973 0.063) 0.976 4.720 ( 0.538 0.433 -0.259) 0.738 4.720 ( 0.538 0.433 0.259) 0.738 4.731 ( -0.658 0.707 -0.442) 1.062 4.731 ( -0.658 0.707 0.442) 1.062 4.943 ( 0.245 0.666 -0.242) 0.750 4.943 ( 0.245 0.666 0.242) 0.750 5.001 ( -0.135 -1.618 -0.651) 1.749 5.001 ( -0.135 -1.618 0.651) 1.749 5.166 ( -0.119 0.482 -0.209) 0.539 5.166 ( -0.119 0.482 0.209) 0.539 5.188 ( -0.108 -1.071 -0.404) 1.150 5.188 ( -0.108 -1.071 0.404) 1.149 5.210 ( 0.997 -0.150 -0.435) 1.098 5.210 ( 0.997 -0.150 0.435) 1.098 5.231 ( -0.764 0.111 -0.219) 0.802 5.231 ( -0.764 0.111 0.219) 0.802======================= Grid point 72 (29/30) =======================q-point: ( 0.00 -0.50 -0.50)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 16Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.850 ( 0.000 0.000 0.000) 0.000 0.850 ( 0.000 -0.000 0.000) 0.000 0.853 ( 0.000 0.000 -0.000) 0.000 0.853 ( 0.000 -0.000 -0.000) 0.000 0.997 ( 0.000 0.000 0.000) 0.000 0.997 ( 0.000 -0.000 0.000) 0.000 1.039 ( 0.000 -0.000 0.000) 0.000 1.039 ( 0.000 0.000 -0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.119 ( 0.000 0.000 0.000) 0.000 1.162 ( 0.000 -0.000 0.000) 0.000 1.162 ( 0.000 0.000 0.000) 0.000 1.174 ( 0.000 -0.000 -0.000) 0.000 1.174 ( 0.000 0.000 0.000) 0.000 1.208 ( 0.000 -0.000 -0.000) 0.000 1.208 ( 0.000 0.000 0.000) 0.000 1.321 ( 0.000 -0.000 0.000) 0.000 1.321 ( 0.000 0.000 0.000) 0.000 1.354 ( 0.000 0.000 -0.000) 0.000 1.354 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 -0.000 -0.000) 0.000 1.419 ( 0.000 -0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 -0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 -0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 -0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 -0.000 0.000) 0.000 1.821 ( 0.000 -0.000 0.000) 0.000 1.875 ( 0.000 -0.000 -0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 -0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 -0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 -0.000 -0.000) 0.000 2.032 ( 0.000 0.000 -0.000) 0.000 2.069 ( 0.000 -0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 -0.000 -0.000) 0.000 2.071 ( 0.000 0.000 -0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.184 ( 0.000 -0.000 0.000) 0.000 2.184 ( 0.000 -0.000 0.000) 0.000 2.230 ( 0.000 -0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 -0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 -0.000 0.000) 0.000 2.561 ( 0.000 -0.000 0.000) 0.000 2.598 ( 0.000 -0.000 -0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 -0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.720 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 -0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 -0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 -0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.901 ( 0.000 0.000 -0.000) 0.000 2.901 ( 0.000 0.000 -0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 -0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 -0.000 0.000) 0.000 3.074 ( 0.000 -0.000 0.000) 0.000 3.074 ( 0.000 0.000 -0.000) 0.000 3.182 ( 0.000 -0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 -0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 -0.000 -0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 -0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 -0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 -0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 -0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 -0.000 -0.000) 0.000 4.048 ( 0.000 -0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 -0.000 -0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 -0.000 0.000) 0.000 4.338 ( 0.000 0.000 -0.000) 0.000 4.357 ( 0.000 -0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 -0.000 0.000) 0.000 4.664 ( 0.000 -0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 -0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.747 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 -0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 -0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.183 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 -0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000======================= Grid point 76 (30/30) =======================q-point: ( 0.33 -0.50 -0.50)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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 1.94e-05 Number of triplets: 23Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.861 ( 0.932 -0.000 0.000) 0.932 0.861 ( 0.932 0.000 0.000) 0.932 0.864 ( 0.713 -0.000 -0.000) 0.713 0.864 ( 0.713 0.000 -0.000) 0.713 0.997 ( 0.190 -0.000 0.000) 0.190 0.997 ( 0.190 0.000 0.000) 0.190 1.015 ( -1.928 -0.000 0.000) 1.928 1.015 ( -1.928 0.000 -0.000) 1.928 1.134 ( 1.337 0.000 0.000) 1.337 1.134 ( 1.337 0.000 0.000) 1.337 1.155 ( -0.877 -0.000 0.000) 0.877 1.155 ( -0.877 0.000 0.000) 0.877 1.183 ( 0.806 -0.000 0.000) 0.806 1.183 ( 0.806 0.000 0.000) 0.806 1.198 ( -0.935 -0.000 0.000) 0.935 1.198 ( -0.935 0.000 -0.000) 0.935 1.328 ( 0.811 -0.000 0.000) 0.811 1.328 ( 0.811 0.000 0.000) 0.811 1.345 ( -0.960 0.000 -0.000) 0.960 1.345 ( -0.960 0.000 0.000) 0.960 1.411 ( 1.000 0.000 0.000) 1.000 1.411 ( 1.000 0.000 0.000) 1.000 1.422 ( -0.049 -0.000 -0.000) 0.049 1.422 ( -0.049 -0.000 0.000) 0.049 1.494 ( 0.202 -0.000 0.000) 0.202 1.494 ( 0.202 0.000 0.000) 0.202 1.506 ( -0.993 -0.000 0.000) 0.993 1.506 ( -0.993 0.000 0.000) 0.993 1.666 ( 1.123 0.000 0.000) 1.123 1.666 ( 1.123 0.000 0.000) 1.123 1.688 ( -1.312 -0.000 0.000) 1.312 1.688 ( -1.312 0.000 0.000) 1.312 1.806 ( 0.230 -0.000 0.000) 0.230 1.806 ( 0.230 0.000 0.000) 0.230 1.814 ( -0.630 -0.000 0.000) 0.630 1.814 ( -0.630 0.000 0.000) 0.630 1.887 ( 1.180 -0.000 -0.000) 1.180 1.887 ( 1.180 0.000 0.000) 1.180 1.907 ( -0.897 0.000 0.000) 0.897 1.907 ( -0.897 0.000 0.000) 0.897 2.032 ( 0.251 -0.000 -0.000) 0.251 2.032 ( 0.252 0.001 0.000) 0.252 2.032 ( 0.016 -0.000 -0.000) 0.016 2.032 ( 0.016 -0.000 0.000) 0.016 2.055 ( -0.579 0.000 -0.000) 0.579 2.055 ( -0.579 0.000 0.000) 0.579 2.061 ( -0.876 0.000 -0.000) 0.876 2.061 ( -0.876 0.000 0.000) 0.876 2.195 ( 0.999 -0.000 0.000) 0.999 2.195 ( 0.999 0.000 -0.000) 0.999 2.199 ( 1.324 -0.000 0.000) 1.324 2.199 ( 1.324 0.000 0.000) 1.324 2.229 ( 0.344 -0.000 0.000) 0.344 2.229 ( 0.344 0.000 0.000) 0.344 2.248 ( -1.085 0.000 -0.000) 1.085 2.248 ( -1.085 0.000 0.000) 1.085 2.479 ( 0.896 -0.000 -0.000) 0.896 2.479 ( 0.896 0.000 0.000) 0.896 2.506 ( -2.182 0.000 0.000) 2.182 2.506 ( -2.182 0.000 0.000) 2.182 2.583 ( 1.148 -0.000 -0.000) 1.148 2.583 ( 1.148 -0.000 0.000) 1.148 2.595 ( -0.379 0.000 -0.000) 0.379 2.595 ( -0.379 0.000 0.000) 0.379 2.701 ( -0.010 -0.000 0.000) 0.010 2.701 ( -0.010 0.000 0.000) 0.010 2.707 ( -0.777 -0.000 0.000) 0.777 2.707 ( -0.777 0.000 0.000) 0.777 2.751 ( 1.835 0.000 0.000) 1.835 2.751 ( 1.835 0.000 -0.000) 1.835 2.778 ( -1.228 -0.000 0.000) 1.228 2.778 ( -1.228 0.000 0.000) 1.228 2.844 ( 1.362 -0.000 0.000) 1.362 2.844 ( 1.362 0.000 0.000) 1.362 2.879 ( -2.381 0.000 0.000) 2.381 2.879 ( -2.381 0.000 0.000) 2.381 2.930 ( 1.626 0.000 -0.000) 1.626 2.930 ( 1.626 0.000 0.000) 1.626 2.948 ( -0.813 0.000 -0.000) 0.813 2.948 ( -0.813 0.000 0.000) 0.813 3.084 ( 1.144 -0.000 0.000) 1.144 3.084 ( 1.144 -0.000 0.000) 1.144 3.093 ( 1.399 0.000 0.000) 1.399 3.093 ( 1.399 0.000 0.000) 1.399 3.201 ( 3.247 -0.000 0.000) 3.247 3.201 ( 3.247 0.000 0.000) 3.247 3.227 ( -0.033 -0.000 0.000) 0.033 3.227 ( -0.033 0.000 0.000) 0.033 3.229 ( -0.159 -0.000 -0.000) 0.159 3.229 ( -0.159 0.000 -0.000) 0.159 3.289 ( -5.452 0.000 0.000) 5.452 3.289 ( -5.452 0.000 0.000) 5.452 3.433 ( 2.636 -0.000 0.000) 2.636 3.433 ( 2.636 0.000 0.000) 2.636 3.488 ( -3.427 0.000 0.000) 3.427 3.488 ( -3.427 0.000 0.000) 3.427 3.763 ( 1.409 -0.000 0.000) 1.409 3.763 ( 1.409 0.000 0.000) 1.409 3.777 ( -0.134 -0.000 0.000) 0.134 3.777 ( -0.134 0.000 0.000) 0.134 4.050 ( 0.665 0.000 -0.000) 0.665 4.050 ( 0.665 0.000 0.000) 0.665 4.057 ( 0.303 -0.000 -0.000) 0.303 4.057 ( 0.303 -0.000 0.000) 0.303 4.124 ( 1.237 -0.000 -0.000) 1.237 4.124 ( 1.237 0.000 0.000) 1.237 4.164 ( -2.642 -0.000 0.000) 2.642 4.164 ( -2.642 0.000 0.000) 2.642 4.347 ( 0.799 -0.000 0.000) 0.799 4.347 ( 0.799 0.000 -0.000) 0.799 4.357 ( -0.213 -0.000 0.000) 0.213 4.357 ( -0.213 0.000 0.000) 0.213 4.664 ( 0.021 -0.000 0.000) 0.021 4.664 ( 0.021 0.000 0.000) 0.021 4.665 ( -0.058 -0.000 -0.000) 0.058 4.665 ( -0.058 0.000 0.000) 0.058 4.725 ( 0.689 0.000 0.000) 0.689 4.725 ( 0.689 0.000 0.000) 0.689 4.739 ( -0.820 0.000 0.000) 0.820 4.739 ( -0.820 0.000 0.000) 0.820 4.959 ( 0.830 -0.000 0.000) 0.830 4.959 ( 0.830 0.000 0.000) 0.830 4.974 ( -0.712 0.000 0.000) 0.712 4.974 ( -0.712 0.000 0.000) 0.712 5.168 ( 0.303 -0.000 0.000) 0.303 5.168 ( 0.303 0.000 0.000) 0.303 5.175 ( -0.571 -0.000 -0.000) 0.571 5.175 ( -0.571 0.000 0.000) 0.571 5.213 ( 1.093 -0.000 0.000) 1.093 5.213 ( 1.093 0.000 0.000) 1.093 5.230 ( -0.818 0.000 0.000) 0.818 5.230 ( -0.818 0.000 0.000) 0.818=================== 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 3/12672 10.0 43.860 35.991 64.915 0.000 0.000 0.000 3/12672 20.0 6.400 6.216 11.317 0.000 0.000 0.000 3/12672 30.0 2.663 2.832 4.908 0.000 0.000 0.000 3/12672 40.0 1.597 1.787 2.978 0.000 0.000 0.000 3/12672 50.0 1.134 1.306 2.118 0.000 0.000 0.000 3/12672 60.0 0.882 1.033 1.644 0.000 0.000 0.000 3/12672 70.0 0.724 0.857 1.346 0.000 0.000 0.000 3/12672 80.0 0.616 0.735 1.142 0.000 0.000 0.000 3/12672 90.0 0.537 0.644 0.993 0.000 0.000 0.000 3/12672 100.0 0.477 0.574 0.880 0.000 0.000 0.000 3/12672 110.0 0.429 0.517 0.790 0.000 0.000 0.000 3/12672 120.0 0.390 0.472 0.718 0.000 0.000 0.000 3/12672 130.0 0.358 0.434 0.658 0.000 0.000 0.000 3/12672 140.0 0.331 0.401 0.607 0.000 0.000 0.000 3/12672 150.0 0.307 0.373 0.564 0.000 0.000 0.000 3/12672 160.0 0.287 0.349 0.527 0.000 0.000 0.000 3/12672 170.0 0.270 0.328 0.494 0.000 0.000 0.000 3/12672 180.0 0.254 0.310 0.466 0.000 0.000 0.000 3/12672 190.0 0.240 0.293 0.440 0.000 0.000 0.000 3/12672 200.0 0.228 0.278 0.417 0.000 0.000 0.000 3/12672 210.0 0.217 0.264 0.397 0.000 0.000 0.000 3/12672 220.0 0.207 0.252 0.378 0.000 0.000 0.000 3/12672 230.0 0.198 0.241 0.361 0.000 0.000 0.000 3/12672 240.0 0.189 0.231 0.346 0.000 0.000 0.000 3/12672 250.0 0.181 0.222 0.332 0.000 0.000 0.000 3/12672 260.0 0.174 0.213 0.319 0.000 0.000 0.000 3/12672 270.0 0.168 0.205 0.307 0.000 0.000 0.000 3/12672 280.0 0.162 0.198 0.296 0.000 0.000 0.000 3/12672 290.0 0.156 0.191 0.285 0.000 0.000 0.000 3/12672 300.0 0.151 0.184 0.276 0.000 0.000 0.000 3/12672 310.0 0.146 0.178 0.267 0.000 0.000 0.000 3/12672 320.0 0.141 0.173 0.258 0.000 0.000 0.000 3/12672 330.0 0.137 0.167 0.250 0.000 0.000 0.000 3/12672 340.0 0.133 0.162 0.243 0.000 0.000 0.000 3/12672 350.0 0.129 0.158 0.236 0.000 0.000 0.000 3/12672 360.0 0.125 0.153 0.229 0.000 0.000 0.000 3/12672 370.0 0.122 0.149 0.223 0.000 0.000 0.000 3/12672 380.0 0.119 0.145 0.217 0.000 0.000 0.000 3/12672 390.0 0.116 0.142 0.211 0.000 0.000 0.000 3/12672 400.0 0.113 0.138 0.206 0.000 0.000 0.000 3/12672 410.0 0.110 0.135 0.201 0.000 0.000 0.000 3/12672 420.0 0.107 0.131 0.196 0.000 0.000 0.000 3/12672 430.0 0.105 0.128 0.192 0.000 0.000 0.000 3/12672 440.0 0.102 0.125 0.187 0.000 0.000 0.000 3/12672 450.0 0.100 0.123 0.183 0.000 0.000 0.000 3/12672 460.0 0.098 0.120 0.179 0.000 0.000 0.000 3/12672 470.0 0.096 0.117 0.175 0.000 0.000 0.000 3/12672 480.0 0.094 0.115 0.171 0.000 0.000 0.000 3/12672 490.0 0.092 0.113 0.168 0.000 0.000 0.000 3/12672 500.0 0.090 0.110 0.165 0.000 0.000 0.000 3/12672 510.0 0.088 0.108 0.161 0.000 0.000 0.000 3/12672 520.0 0.087 0.106 0.158 0.000 0.000 0.000 3/12672 530.0 0.085 0.104 0.155 0.000 0.000 0.000 3/12672 540.0 0.083 0.102 0.152 0.000 0.000 0.000 3/12672 550.0 0.082 0.100 0.150 0.000 0.000 0.000 3/12672 560.0 0.080 0.098 0.147 0.000 0.000 0.000 3/12672 570.0 0.079 0.097 0.144 0.000 0.000 0.000 3/12672 580.0 0.078 0.095 0.142 0.000 0.000 0.000 3/12672 590.0 0.076 0.093 0.139 0.000 0.000 0.000 3/12672 600.0 0.075 0.092 0.137 0.000 0.000 0.000 3/12672 610.0 0.074 0.090 0.135 0.000 0.000 0.000 3/12672 620.0 0.073 0.089 0.133 0.000 0.000 0.000 3/12672 630.0 0.071 0.088 0.130 0.000 0.000 0.000 3/12672 640.0 0.070 0.086 0.128 0.000 0.000 0.000 3/12672 650.0 0.069 0.085 0.126 0.000 0.000 0.000 3/12672 660.0 0.068 0.084 0.125 0.000 0.000 0.000 3/12672 670.0 0.067 0.082 0.123 0.000 0.000 0.000 3/12672 680.0 0.066 0.081 0.121 0.000 0.000 0.000 3/12672 690.0 0.065 0.080 0.119 0.000 0.000 0.000 3/12672 700.0 0.064 0.079 0.117 0.000 0.000 0.000 3/12672 710.0 0.063 0.078 0.116 0.000 0.000 0.000 3/12672 720.0 0.063 0.077 0.114 0.000 0.000 0.000 3/12672 730.0 0.062 0.076 0.113 0.000 0.000 0.000 3/12672 740.0 0.061 0.074 0.111 0.000 0.000 0.000 3/12672 750.0 0.060 0.074 0.110 0.000 0.000 0.000 3/12672 760.0 0.059 0.073 0.108 0.000 0.000 0.000 3/12672 770.0 0.058 0.072 0.107 0.000 0.000 0.000 3/12672 780.0 0.058 0.071 0.105 0.000 0.000 0.000 3/12672 790.0 0.057 0.070 0.104 0.000 0.000 0.000 3/12672 800.0 0.056 0.069 0.103 0.000 0.000 0.000 3/12672 810.0 0.056 0.068 0.101 0.000 0.000 0.000 3/12672 820.0 0.055 0.067 0.100 0.000 0.000 0.000 3/12672 830.0 0.054 0.066 0.099 0.000 0.000 0.000 3/12672 840.0 0.054 0.066 0.098 0.000 0.000 0.000 3/12672 850.0 0.053 0.065 0.097 0.000 0.000 0.000 3/12672 860.0 0.052 0.064 0.095 0.000 0.000 0.000 3/12672 870.0 0.052 0.063 0.094 0.000 0.000 0.000 3/12672 880.0 0.051 0.063 0.093 0.000 0.000 0.000 3/12672 890.0 0.051 0.062 0.092 0.000 0.000 0.000 3/12672 900.0 0.050 0.061 0.091 0.000 0.000 0.000 3/12672 910.0 0.049 0.061 0.090 0.000 0.000 0.000 3/12672 920.0 0.049 0.060 0.089 0.000 0.000 0.000 3/12672 930.0 0.048 0.059 0.088 0.000 0.000 0.000 3/12672 940.0 0.048 0.059 0.087 0.000 0.000 0.000 3/12672 950.0 0.047 0.058 0.086 0.000 0.000 0.000 3/12672 960.0 0.047 0.057 0.086 0.000 0.000 0.000 3/12672 970.0 0.046 0.057 0.085 0.000 0.000 0.000 3/12672 980.0 0.046 0.056 0.084 0.000 0.000 0.000 3/12672 990.0 0.045 0.056 0.083 0.000 0.000 0.000 3/12672 1000.0 0.045 0.055 0.082 0.000 0.000 0.000 3/12672Thermal conductivity related properties were written into "kappa-m348.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:24:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|