# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/983d7ee6-d98b-4d02-92f9-d69071c733f5/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 Er2SiSeO4 / Pbcm (57) / materials id 17633](https://mdr.nims.go.jp/datasets/e4476a4d-a488-4dd2-8a0e-76210d3993b0) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 03:31:33]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcm (57)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a 5.925648130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.829157880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.624203190000001Atomic positions (fractional): *1 O 0.27822596654459 0.43417730375782 0.03303678301791 15.999 2 O 0.27822596654459 0.06582269624218 0.96696321698209 15.999 3 O 0.72177403345541 0.93417730375782 0.46696321698209 15.999 4 O 0.72177403345541 0.56582269624218 0.53303678301791 15.999 5 O 0.72177403345541 0.56582269624218 0.96696321698209 15.999 6 O 0.72177403345541 0.93417730375782 0.03303678301791 15.999 7 O 0.27822596654459 0.06582269624218 0.53303678301791 15.999 8 O 0.27822596654459 0.43417730375782 0.46696321698209 15.999 *9 O 0.05858759025039 0.74276266568796 0.12236609337003 15.999 10 O 0.05858759025039 0.74276266568796 0.37763390662997 15.999 11 O 0.94141240974961 0.24276266568796 0.37763390662997 15.999 12 O 0.94141240974961 0.25723733431204 0.62236609337003 15.999 13 O 0.94141240974961 0.25723733431204 0.87763390662997 15.999 14 O 0.94141240974961 0.24276266568796 0.12236609337003 15.999 15 O 0.05858759025039 0.75723733431204 0.62236609337003 15.999 16 O 0.05858759025039 0.75723733431204 0.87763390662997 15.999 *17 Si 0.11189787266326 0.25000000000000 0.00000000000000 28.085 18 Si 0.88810212733674 0.75000000000000 0.00000000000000 28.085 19 Si 0.88810212733674 0.75000000000000 0.50000000000000 28.085 20 Si 0.11189787266326 0.25000000000000 0.50000000000000 28.085 *21 Se 0.57989386031499 0.87457407719176 0.75000000000000 78.960 22 Se 0.57989386031499 0.62542592280824 0.25000000000000 78.960 23 Se 0.42010613968501 0.37457407719176 0.75000000000000 78.960 24 Se 0.42010613968501 0.12542592280824 0.25000000000000 78.960 *25 Er 0.60691483883704 0.25000000000000 0.50000000000000 167.259 26 Er 0.60691483883704 0.25000000000000 0.00000000000000 167.259 27 Er 0.39308516116296 0.75000000000000 0.50000000000000 167.259 28 Er 0.39308516116296 0.75000000000000 0.00000000000000 167.259 *29 Er 0.86762451003716 0.52679066619171 0.75000000000000 167.259 30 Er 0.86762451003716 0.97320933380829 0.25000000000000 167.259 31 Er 0.13237548996284 0.02679066619171 0.75000000000000 167.259 32 Er 0.13237548996284 0.47320933380829 0.25000000000000 167.259-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.925648130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.829157880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.624203190000001Atomic positions (fractional): *1 O 0.27822596654459 0.43417730375782 0.03303678301791 15.999 > 1 2 O 0.27822596654459 0.06582269624218 0.96696321698209 15.999 > 2 3 O 0.72177403345541 0.93417730375782 0.46696321698209 15.999 > 3 4 O 0.72177403345541 0.56582269624218 0.53303678301791 15.999 > 4 5 O 0.72177403345541 0.56582269624218 0.96696321698209 15.999 > 5 6 O 0.72177403345541 0.93417730375782 0.03303678301791 15.999 > 6 7 O 0.27822596654459 0.06582269624218 0.53303678301791 15.999 > 7 8 O 0.27822596654459 0.43417730375782 0.46696321698209 15.999 > 8 *9 O 0.05858759025039 0.74276266568796 0.12236609337003 15.999 > 9 10 O 0.05858759025039 0.74276266568796 0.37763390662997 15.999 > 10 11 O 0.94141240974961 0.24276266568796 0.37763390662997 15.999 > 11 12 O 0.94141240974961 0.25723733431204 0.62236609337003 15.999 > 12 13 O 0.94141240974961 0.25723733431204 0.87763390662997 15.999 > 13 14 O 0.94141240974961 0.24276266568796 0.12236609337003 15.999 > 14 15 O 0.05858759025039 0.75723733431204 0.62236609337003 15.999 > 15 16 O 0.05858759025039 0.75723733431204 0.87763390662997 15.999 > 16 *17 Si 0.11189787266326 0.25000000000000 0.00000000000000 28.085 > 17 18 Si 0.88810212733674 0.75000000000000 0.00000000000000 28.085 > 18 19 Si 0.88810212733674 0.75000000000000 0.50000000000000 28.085 > 19 20 Si 0.11189787266326 0.25000000000000 0.50000000000000 28.085 > 20 *21 Se 0.57989386031499 0.87457407719176 0.75000000000000 78.960 > 21 22 Se 0.57989386031499 0.62542592280824 0.25000000000000 78.960 > 22 23 Se 0.42010613968501 0.37457407719176 0.75000000000000 78.960 > 23 24 Se 0.42010613968501 0.12542592280824 0.25000000000000 78.960 > 24 *25 Er 0.60691483883704 0.25000000000000 0.50000000000000 167.259 > 25 26 Er 0.60691483883704 0.25000000000000 0.00000000000000 167.259 > 26 27 Er 0.39308516116296 0.75000000000000 0.50000000000000 167.259 > 27 28 Er 0.39308516116296 0.75000000000000 0.00000000000000 167.259 > 28 *29 Er 0.86762451003716 0.52679066619171 0.75000000000000 167.259 > 29 30 Er 0.86762451003716 0.97320933380829 0.25000000000000 167.259 > 30 31 Er 0.13237548996284 0.02679066619171 0.75000000000000 167.259 > 31 32 Er 0.13237548996284 0.47320933380829 0.25000000000000 167.259 > 32-------------------------------- super cell --------------------------------Lattice vectors: a 11.851296260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.658315760000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.624203190000001Atomic positions (fractional): *1 O 0.13911298327229 0.21708865187891 0.03303678301791 15.999 > 1 2 O 0.63911298327229 0.21708865187891 0.03303678301791 15.999 > 1 3 O 0.13911298327229 0.71708865187891 0.03303678301791 15.999 > 1 4 O 0.63911298327229 0.71708865187891 0.03303678301791 15.999 > 1 5 O 0.13911298327229 0.03291134812109 0.96696321698209 15.999 > 2 6 O 0.63911298327229 0.03291134812109 0.96696321698209 15.999 > 2 7 O 0.13911298327229 0.53291134812109 0.96696321698209 15.999 > 2 8 O 0.63911298327229 0.53291134812109 0.96696321698209 15.999 > 2 9 O 0.36088701672771 0.46708865187891 0.46696321698209 15.999 > 3 10 O 0.86088701672771 0.46708865187891 0.46696321698209 15.999 > 3 11 O 0.36088701672771 0.96708865187891 0.46696321698209 15.999 > 3 12 O 0.86088701672771 0.96708865187891 0.46696321698209 15.999 > 3 13 O 0.36088701672771 0.28291134812109 0.53303678301791 15.999 > 4 14 O 0.86088701672771 0.28291134812109 0.53303678301791 15.999 > 4 15 O 0.36088701672771 0.78291134812109 0.53303678301791 15.999 > 4 16 O 0.86088701672771 0.78291134812109 0.53303678301791 15.999 > 4 17 O 0.36088701672771 0.28291134812109 0.96696321698209 15.999 > 5 18 O 0.86088701672771 0.28291134812109 0.96696321698209 15.999 > 5 19 O 0.36088701672771 0.78291134812109 0.96696321698209 15.999 > 5 20 O 0.86088701672771 0.78291134812109 0.96696321698209 15.999 > 5 21 O 0.36088701672771 0.46708865187891 0.03303678301791 15.999 > 6 22 O 0.86088701672771 0.46708865187891 0.03303678301791 15.999 > 6 23 O 0.36088701672771 0.96708865187891 0.03303678301791 15.999 > 6 24 O 0.86088701672771 0.96708865187891 0.03303678301791 15.999 > 6 25 O 0.13911298327229 0.03291134812109 0.53303678301791 15.999 > 7 26 O 0.63911298327229 0.03291134812109 0.53303678301791 15.999 > 7 27 O 0.13911298327229 0.53291134812109 0.53303678301791 15.999 > 7 28 O 0.63911298327229 0.53291134812109 0.53303678301791 15.999 > 7 29 O 0.13911298327229 0.21708865187891 0.46696321698209 15.999 > 8 30 O 0.63911298327229 0.21708865187891 0.46696321698209 15.999 > 8 31 O 0.13911298327229 0.71708865187891 0.46696321698209 15.999 > 8 32 O 0.63911298327229 0.71708865187891 0.46696321698209 15.999 > 8 *33 O 0.02929379512520 0.37138133284398 0.12236609337003 15.999 > 9 34 O 0.52929379512520 0.37138133284398 0.12236609337003 15.999 > 9 35 O 0.02929379512520 0.87138133284398 0.12236609337003 15.999 > 9 36 O 0.52929379512520 0.87138133284398 0.12236609337003 15.999 > 9 37 O 0.02929379512520 0.37138133284398 0.37763390662997 15.999 > 10 38 O 0.52929379512520 0.37138133284398 0.37763390662997 15.999 > 10 39 O 0.02929379512520 0.87138133284398 0.37763390662997 15.999 > 10 40 O 0.52929379512520 0.87138133284398 0.37763390662997 15.999 > 10 41 O 0.47070620487480 0.12138133284398 0.37763390662997 15.999 > 11 42 O 0.97070620487480 0.12138133284398 0.37763390662997 15.999 > 11 43 O 0.47070620487480 0.62138133284398 0.37763390662997 15.999 > 11 44 O 0.97070620487480 0.62138133284398 0.37763390662997 15.999 > 11 45 O 0.47070620487480 0.12861866715602 0.62236609337003 15.999 > 12 46 O 0.97070620487480 0.12861866715602 0.62236609337003 15.999 > 12 47 O 0.47070620487480 0.62861866715602 0.62236609337003 15.999 > 12 48 O 0.97070620487480 0.62861866715602 0.62236609337003 15.999 > 12 49 O 0.47070620487480 0.12861866715602 0.87763390662997 15.999 > 13 50 O 0.97070620487480 0.12861866715602 0.87763390662997 15.999 > 13 51 O 0.47070620487480 0.62861866715602 0.87763390662997 15.999 > 13 52 O 0.97070620487480 0.62861866715602 0.87763390662997 15.999 > 13 53 O 0.47070620487480 0.12138133284398 0.12236609337003 15.999 > 14 54 O 0.97070620487480 0.12138133284398 0.12236609337003 15.999 > 14 55 O 0.47070620487480 0.62138133284398 0.12236609337003 15.999 > 14 56 O 0.97070620487480 0.62138133284398 0.12236609337003 15.999 > 14 57 O 0.02929379512520 0.37861866715602 0.62236609337003 15.999 > 15 58 O 0.52929379512520 0.37861866715602 0.62236609337003 15.999 > 15 59 O 0.02929379512520 0.87861866715602 0.62236609337003 15.999 > 15 60 O 0.52929379512520 0.87861866715602 0.62236609337003 15.999 > 15 61 O 0.02929379512520 0.37861866715602 0.87763390662997 15.999 > 16 62 O 0.52929379512520 0.37861866715602 0.87763390662997 15.999 > 16 63 O 0.02929379512520 0.87861866715602 0.87763390662997 15.999 > 16 64 O 0.52929379512520 0.87861866715602 0.87763390662997 15.999 > 16 *65 Si 0.05594893633163 0.12500000000000 0.00000000000000 28.085 > 17 66 Si 0.55594893633163 0.12500000000000 0.00000000000000 28.085 > 17 67 Si 0.05594893633163 0.62500000000000 0.00000000000000 28.085 > 17 68 Si 0.55594893633163 0.62500000000000 0.00000000000000 28.085 > 17 69 Si 0.44405106366837 0.37500000000000 0.00000000000000 28.085 > 18 70 Si 0.94405106366837 0.37500000000000 0.00000000000000 28.085 > 18 71 Si 0.44405106366837 0.87500000000000 0.00000000000000 28.085 > 18 72 Si 0.94405106366837 0.87500000000000 0.00000000000000 28.085 > 18 73 Si 0.44405106366837 0.37500000000000 0.50000000000000 28.085 > 19 74 Si 0.94405106366837 0.37500000000000 0.50000000000000 28.085 > 19 75 Si 0.44405106366837 0.87500000000000 0.50000000000000 28.085 > 19 76 Si 0.94405106366837 0.87500000000000 0.50000000000000 28.085 > 19 77 Si 0.05594893633163 0.12500000000000 0.50000000000000 28.085 > 20 78 Si 0.55594893633163 0.12500000000000 0.50000000000000 28.085 > 20 79 Si 0.05594893633163 0.62500000000000 0.50000000000000 28.085 > 20 80 Si 0.55594893633163 0.62500000000000 0.50000000000000 28.085 > 20 *81 Se 0.28994693015749 0.43728703859588 0.75000000000000 78.960 > 21 82 Se 0.78994693015749 0.43728703859588 0.75000000000000 78.960 > 21 83 Se 0.28994693015749 0.93728703859588 0.75000000000000 78.960 > 21 84 Se 0.78994693015749 0.93728703859588 0.75000000000000 78.960 > 21 85 Se 0.28994693015749 0.31271296140412 0.25000000000000 78.960 > 22 86 Se 0.78994693015749 0.31271296140412 0.25000000000000 78.960 > 22 87 Se 0.28994693015749 0.81271296140412 0.25000000000000 78.960 > 22 88 Se 0.78994693015749 0.81271296140412 0.25000000000000 78.960 > 22 89 Se 0.21005306984251 0.18728703859588 0.75000000000000 78.960 > 23 90 Se 0.71005306984251 0.18728703859588 0.75000000000000 78.960 > 23 91 Se 0.21005306984251 0.68728703859588 0.75000000000000 78.960 > 23 92 Se 0.71005306984251 0.68728703859588 0.75000000000000 78.960 > 23 93 Se 0.21005306984251 0.06271296140412 0.25000000000000 78.960 > 24 94 Se 0.71005306984251 0.06271296140412 0.25000000000000 78.960 > 24 95 Se 0.21005306984251 0.56271296140412 0.25000000000000 78.960 > 24 96 Se 0.71005306984251 0.56271296140412 0.25000000000000 78.960 > 24 *97 Er 0.30345741941852 0.12500000000000 0.50000000000000 167.259 > 25 98 Er 0.80345741941852 0.12500000000000 0.50000000000000 167.259 > 25 99 Er 0.30345741941852 0.62500000000000 0.50000000000000 167.259 > 25 100 Er 0.80345741941852 0.62500000000000 0.50000000000000 167.259 > 25 101 Er 0.30345741941852 0.12500000000000 0.00000000000000 167.259 > 26 102 Er 0.80345741941852 0.12500000000000 0.00000000000000 167.259 > 26 103 Er 0.30345741941852 0.62500000000000 0.00000000000000 167.259 > 26 104 Er 0.80345741941852 0.62500000000000 0.00000000000000 167.259 > 26 105 Er 0.19654258058148 0.37500000000000 0.50000000000000 167.259 > 27 106 Er 0.69654258058148 0.37500000000000 0.50000000000000 167.259 > 27 107 Er 0.19654258058148 0.87500000000000 0.50000000000000 167.259 > 27 108 Er 0.69654258058148 0.87500000000000 0.50000000000000 167.259 > 27 109 Er 0.19654258058148 0.37500000000000 0.00000000000000 167.259 > 28 110 Er 0.69654258058148 0.37500000000000 0.00000000000000 167.259 > 28 111 Er 0.19654258058148 0.87500000000000 0.00000000000000 167.259 > 28 112 Er 0.69654258058148 0.87500000000000 0.00000000000000 167.259 > 28 *113 Er 0.43381225501858 0.26339533309586 0.75000000000000 167.259 > 29 114 Er 0.93381225501858 0.26339533309586 0.75000000000000 167.259 > 29 115 Er 0.43381225501858 0.76339533309586 0.75000000000000 167.259 > 29 116 Er 0.93381225501858 0.76339533309586 0.75000000000000 167.259 > 29 117 Er 0.43381225501858 0.48660466690414 0.25000000000000 167.259 > 30 118 Er 0.93381225501858 0.48660466690414 0.25000000000000 167.259 > 30 119 Er 0.43381225501858 0.98660466690414 0.25000000000000 167.259 > 30 120 Er 0.93381225501858 0.98660466690414 0.25000000000000 167.259 > 30 121 Er 0.06618774498142 0.01339533309586 0.75000000000000 167.259 > 31 122 Er 0.56618774498142 0.01339533309586 0.75000000000000 167.259 > 31 123 Er 0.06618774498142 0.51339533309586 0.75000000000000 167.259 > 31 124 Er 0.56618774498142 0.51339533309586 0.75000000000000 167.259 > 31 125 Er 0.06618774498142 0.23660466690414 0.25000000000000 167.259 > 32 126 Er 0.56618774498142 0.23660466690414 0.25000000000000 167.259 > 32 127 Er 0.06618774498142 0.73660466690414 0.25000000000000 167.259 > 32 128 Er 0.56618774498142 0.73660466690414 0.25000000000000 167.259 > 32----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2419507 0.0000000 0.0000000 0.0000000 5.5568100 0.0000000 0.0000000 0.0000000 5.2413978-------------------------- Born effective charges -------------------------- 1 O -2.1073720 -0.1981144 0.0720514 -0.3215697 -2.5366325 -0.1835534 0.0771222 -0.1228927 -2.3418906 2 O -2.1073720 0.1981144 -0.0720514 0.3215697 -2.5366325 -0.1835534 -0.0771222 -0.1228927 -2.3418906 3 O -2.1073720 0.1981144 0.0720514 0.3215697 -2.5366325 0.1835534 0.0771222 0.1228927 -2.3418906 4 O -2.1073720 -0.1981144 -0.0720514 -0.3215697 -2.5366325 0.1835534 -0.0771222 0.1228927 -2.3418906 5 O -2.1073720 -0.1981144 0.0720514 -0.3215697 -2.5366325 -0.1835534 0.0771222 -0.1228927 -2.3418906 6 O -2.1073720 0.1981144 -0.0720514 0.3215697 -2.5366325 -0.1835534 -0.0771222 -0.1228927 -2.3418906 7 O -2.1073720 0.1981144 0.0720514 0.3215697 -2.5366325 0.1835534 0.0771222 0.1228927 -2.3418906 8 O -2.1073720 -0.1981144 -0.0720514 -0.3215697 -2.5366325 0.1835534 -0.0771222 0.1228927 -2.3418906 9 O -2.6407488 0.3140035 -0.0295275 0.1860614 -1.9439399 0.1404169 0.0590319 0.0622081 -2.3723522 10 O -2.6407488 0.3140035 0.0295275 0.1860614 -1.9439399 -0.1404169 -0.0590319 -0.0622081 -2.3723522 11 O -2.6407488 -0.3140035 -0.0295275 -0.1860614 -1.9439399 -0.1404169 0.0590319 -0.0622081 -2.3723522 12 O -2.6407488 0.3140035 0.0295275 0.1860614 -1.9439399 -0.1404169 -0.0590319 -0.0622081 -2.3723522 13 O -2.6407488 0.3140035 -0.0295275 0.1860614 -1.9439399 0.1404169 0.0590319 0.0622081 -2.3723522 14 O -2.6407488 -0.3140035 0.0295275 -0.1860614 -1.9439399 0.1404169 -0.0590319 0.0622081 -2.3723522 15 O -2.6407488 -0.3140035 -0.0295275 -0.1860614 -1.9439399 -0.1404169 0.0590319 -0.0622081 -2.3723522 16 O -2.6407488 -0.3140035 0.0295275 -0.1860614 -1.9439399 0.1404169 -0.0590319 0.0622081 -2.3723522 17 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 0.0070185 0.0000000 0.1742336 3.7162587 18 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 0.0070185 0.0000000 0.1742336 3.7162587 19 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 -0.0070185 0.0000000 -0.1742336 3.7162587 20 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 -0.0070185 0.0000000 -0.1742336 3.7162587 21 Se -2.2311636 0.3524248 0.0000000 0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 22 Se -2.2311636 -0.3524248 0.0000000 -0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 23 Se -2.2311636 -0.3524248 0.0000000 -0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 24 Se -2.2311636 0.3524248 0.0000000 0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 25 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 -0.0269127 0.0000000 0.1953500 4.2416306 26 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 0.0269127 0.0000000 -0.1953500 4.2416306 27 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 -0.0269127 0.0000000 0.1953500 4.2416306 28 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 0.0269127 0.0000000 -0.1953500 4.2416306 29 Er 4.2021914 -0.2410868 0.0000000 -0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948 30 Er 4.2021914 0.2410868 0.0000000 0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948 31 Er 4.2021914 0.2410868 0.0000000 0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948 32 Er 4.2021914 -0.2410868 0.0000000 -0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948----------------------------------------------------------------------------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: 384/384Permutation basis: 18816/18816Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2472Number of blocks in projector: 2472Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 520 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 496Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 464Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 328Use standard eigh solver.Tree of FC basis block matrices:- (2472, 2434), data: False|-- (328, 322), data: True|-- (328, 322), data: True|-- (328, 322), data: True|-- (464, 460), data: True|-- (496, 488), data: True|-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 480 - Time: 0.883Solver_block: 200 / 480 - Time: 0.770Solver_block: 300 / 480 - Time: 0.753Solver_block: 400 / 480 - Time: 0.787Solver_block: 480 / 480 - Time: 0.614Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.972--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384Permutation basis: 18816/18816Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2472Number of blocks in projector: 2472Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 528Use submatrix version of eigh solver.(1) Block: 528 / 528 (2) Block: 250 / 528 (2) 242 eigenvectors found. (2) Block: 528 / 528 (2) 271 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found.(1) 520 eigenvectors found.(1) Complementary block size: 8(1) Compute compressed projector.(1) Use standard solver.(1) 0 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 496Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 464Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 328Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 328Use standard eigh solver.Tree of FC basis block matrices:- (2472, 2434), data: False|-- (328, 322), data: True|-- (328, 322), data: True|-- (328, 322), data: True|-- (464, 460), data: True|-- (496, 488), data: True|-- (528, 520), data: False |-- (528, 520), data: False |-- (528, 7), data: (528, 15) @ (15, 7) |-- (278, 271), data: True |-- (250, 242), 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 03:32:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 03:32:06]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcm (57)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.925648130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.829157880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.624203190000001Atomic positions (fractional): 1 O 0.27822596654459 0.43417730375782 0.03303678301791 15.999 2 O 0.27822596654459 0.06582269624218 0.96696321698209 15.999 3 O 0.72177403345541 0.93417730375782 0.46696321698209 15.999 4 O 0.72177403345541 0.56582269624218 0.53303678301791 15.999 5 O 0.72177403345541 0.56582269624218 0.96696321698209 15.999 6 O 0.72177403345541 0.93417730375782 0.03303678301791 15.999 7 O 0.27822596654459 0.06582269624218 0.53303678301791 15.999 8 O 0.27822596654459 0.43417730375782 0.46696321698209 15.999 9 O 0.05858759025039 0.74276266568796 0.12236609337003 15.999 10 O 0.05858759025039 0.74276266568796 0.37763390662997 15.999 11 O 0.94141240974961 0.24276266568796 0.37763390662997 15.999 12 O 0.94141240974961 0.25723733431204 0.62236609337003 15.999 13 O 0.94141240974961 0.25723733431204 0.87763390662997 15.999 14 O 0.94141240974961 0.24276266568796 0.12236609337003 15.999 15 O 0.05858759025039 0.75723733431204 0.62236609337003 15.999 16 O 0.05858759025039 0.75723733431204 0.87763390662997 15.999 17 Si 0.11189787266326 0.25000000000000 0.00000000000000 28.085 18 Si 0.88810212733674 0.75000000000000 0.00000000000000 28.085 19 Si 0.88810212733674 0.75000000000000 0.50000000000000 28.085 20 Si 0.11189787266326 0.25000000000000 0.50000000000000 28.085 21 Se 0.57989386031499 0.87457407719176 0.75000000000000 78.960 22 Se 0.57989386031499 0.62542592280824 0.25000000000000 78.960 23 Se 0.42010613968501 0.37457407719176 0.75000000000000 78.960 24 Se 0.42010613968501 0.12542592280824 0.25000000000000 78.960 25 Er 0.60691483883704 0.25000000000000 0.50000000000000 167.259 26 Er 0.60691483883704 0.25000000000000 0.00000000000000 167.259 27 Er 0.39308516116296 0.75000000000000 0.50000000000000 167.259 28 Er 0.39308516116296 0.75000000000000 0.00000000000000 167.259 29 Er 0.86762451003716 0.52679066619171 0.75000000000000 167.259 30 Er 0.86762451003716 0.97320933380829 0.25000000000000 167.259 31 Er 0.13237548996284 0.02679066619171 0.75000000000000 167.259 32 Er 0.13237548996284 0.47320933380829 0.25000000000000 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 11.851296260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.658315760000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.624203190000001Atomic positions (fractional): 1 O 0.13911298327229 0.21708865187891 0.03303678301791 15.999 > 1 2 O 0.63911298327229 0.21708865187891 0.03303678301791 15.999 > 1 3 O 0.13911298327229 0.71708865187891 0.03303678301791 15.999 > 1 4 O 0.63911298327229 0.71708865187891 0.03303678301791 15.999 > 1 5 O 0.13911298327229 0.03291134812109 0.96696321698209 15.999 > 5 6 O 0.63911298327229 0.03291134812109 0.96696321698209 15.999 > 5 7 O 0.13911298327229 0.53291134812109 0.96696321698209 15.999 > 5 8 O 0.63911298327229 0.53291134812109 0.96696321698209 15.999 > 5 9 O 0.36088701672771 0.46708865187891 0.46696321698209 15.999 > 9 10 O 0.86088701672771 0.46708865187891 0.46696321698209 15.999 > 9 11 O 0.36088701672771 0.96708865187891 0.46696321698209 15.999 > 9 12 O 0.86088701672771 0.96708865187891 0.46696321698209 15.999 > 9 13 O 0.36088701672771 0.28291134812109 0.53303678301791 15.999 > 13 14 O 0.86088701672771 0.28291134812109 0.53303678301791 15.999 > 13 15 O 0.36088701672771 0.78291134812109 0.53303678301791 15.999 > 13 16 O 0.86088701672771 0.78291134812109 0.53303678301791 15.999 > 13 17 O 0.36088701672771 0.28291134812109 0.96696321698209 15.999 > 17 18 O 0.86088701672771 0.28291134812109 0.96696321698209 15.999 > 17 19 O 0.36088701672771 0.78291134812109 0.96696321698209 15.999 > 17 20 O 0.86088701672771 0.78291134812109 0.96696321698209 15.999 > 17 21 O 0.36088701672771 0.46708865187891 0.03303678301791 15.999 > 21 22 O 0.86088701672771 0.46708865187891 0.03303678301791 15.999 > 21 23 O 0.36088701672771 0.96708865187891 0.03303678301791 15.999 > 21 24 O 0.86088701672771 0.96708865187891 0.03303678301791 15.999 > 21 25 O 0.13911298327229 0.03291134812109 0.53303678301791 15.999 > 25 26 O 0.63911298327229 0.03291134812109 0.53303678301791 15.999 > 25 27 O 0.13911298327229 0.53291134812109 0.53303678301791 15.999 > 25 28 O 0.63911298327229 0.53291134812109 0.53303678301791 15.999 > 25 29 O 0.13911298327229 0.21708865187891 0.46696321698209 15.999 > 29 30 O 0.63911298327229 0.21708865187891 0.46696321698209 15.999 > 29 31 O 0.13911298327229 0.71708865187891 0.46696321698209 15.999 > 29 32 O 0.63911298327229 0.71708865187891 0.46696321698209 15.999 > 29 33 O 0.02929379512520 0.37138133284398 0.12236609337003 15.999 > 33 34 O 0.52929379512520 0.37138133284398 0.12236609337003 15.999 > 33 35 O 0.02929379512520 0.87138133284398 0.12236609337003 15.999 > 33 36 O 0.52929379512520 0.87138133284398 0.12236609337003 15.999 > 33 37 O 0.02929379512520 0.37138133284398 0.37763390662997 15.999 > 37 38 O 0.52929379512520 0.37138133284398 0.37763390662997 15.999 > 37 39 O 0.02929379512520 0.87138133284398 0.37763390662997 15.999 > 37 40 O 0.52929379512520 0.87138133284398 0.37763390662997 15.999 > 37 41 O 0.47070620487480 0.12138133284398 0.37763390662997 15.999 > 41 42 O 0.97070620487480 0.12138133284398 0.37763390662997 15.999 > 41 43 O 0.47070620487480 0.62138133284398 0.37763390662997 15.999 > 41 44 O 0.97070620487480 0.62138133284398 0.37763390662997 15.999 > 41 45 O 0.47070620487480 0.12861866715602 0.62236609337003 15.999 > 45 46 O 0.97070620487480 0.12861866715602 0.62236609337003 15.999 > 45 47 O 0.47070620487480 0.62861866715602 0.62236609337003 15.999 > 45 48 O 0.97070620487480 0.62861866715602 0.62236609337003 15.999 > 45 49 O 0.47070620487480 0.12861866715602 0.87763390662997 15.999 > 49 50 O 0.97070620487480 0.12861866715602 0.87763390662997 15.999 > 49 51 O 0.47070620487480 0.62861866715602 0.87763390662997 15.999 > 49 52 O 0.97070620487480 0.62861866715602 0.87763390662997 15.999 > 49 53 O 0.47070620487480 0.12138133284398 0.12236609337003 15.999 > 53 54 O 0.97070620487480 0.12138133284398 0.12236609337003 15.999 > 53 55 O 0.47070620487480 0.62138133284398 0.12236609337003 15.999 > 53 56 O 0.97070620487480 0.62138133284398 0.12236609337003 15.999 > 53 57 O 0.02929379512520 0.37861866715602 0.62236609337003 15.999 > 57 58 O 0.52929379512520 0.37861866715602 0.62236609337003 15.999 > 57 59 O 0.02929379512520 0.87861866715602 0.62236609337003 15.999 > 57 60 O 0.52929379512520 0.87861866715602 0.62236609337003 15.999 > 57 61 O 0.02929379512520 0.37861866715602 0.87763390662997 15.999 > 61 62 O 0.52929379512520 0.37861866715602 0.87763390662997 15.999 > 61 63 O 0.02929379512520 0.87861866715602 0.87763390662997 15.999 > 61 64 O 0.52929379512520 0.87861866715602 0.87763390662997 15.999 > 61 65 Si 0.05594893633163 0.12500000000000 0.00000000000000 28.085 > 65 66 Si 0.55594893633163 0.12500000000000 0.00000000000000 28.085 > 65 67 Si 0.05594893633163 0.62500000000000 0.00000000000000 28.085 > 65 68 Si 0.55594893633163 0.62500000000000 0.00000000000000 28.085 > 65 69 Si 0.44405106366837 0.37500000000000 0.00000000000000 28.085 > 69 70 Si 0.94405106366837 0.37500000000000 0.00000000000000 28.085 > 69 71 Si 0.44405106366837 0.87500000000000 0.00000000000000 28.085 > 69 72 Si 0.94405106366837 0.87500000000000 0.00000000000000 28.085 > 69 73 Si 0.44405106366837 0.37500000000000 0.50000000000000 28.085 > 73 74 Si 0.94405106366837 0.37500000000000 0.50000000000000 28.085 > 73 75 Si 0.44405106366837 0.87500000000000 0.50000000000000 28.085 > 73 76 Si 0.94405106366837 0.87500000000000 0.50000000000000 28.085 > 73 77 Si 0.05594893633163 0.12500000000000 0.50000000000000 28.085 > 77 78 Si 0.55594893633163 0.12500000000000 0.50000000000000 28.085 > 77 79 Si 0.05594893633163 0.62500000000000 0.50000000000000 28.085 > 77 80 Si 0.55594893633163 0.62500000000000 0.50000000000000 28.085 > 77 81 Se 0.28994693015749 0.43728703859588 0.75000000000000 78.960 > 81 82 Se 0.78994693015749 0.43728703859588 0.75000000000000 78.960 > 81 83 Se 0.28994693015749 0.93728703859588 0.75000000000000 78.960 > 81 84 Se 0.78994693015749 0.93728703859588 0.75000000000000 78.960 > 81 85 Se 0.28994693015749 0.31271296140412 0.25000000000000 78.960 > 85 86 Se 0.78994693015749 0.31271296140412 0.25000000000000 78.960 > 85 87 Se 0.28994693015749 0.81271296140412 0.25000000000000 78.960 > 85 88 Se 0.78994693015749 0.81271296140412 0.25000000000000 78.960 > 85 89 Se 0.21005306984251 0.18728703859588 0.75000000000000 78.960 > 89 90 Se 0.71005306984251 0.18728703859588 0.75000000000000 78.960 > 89 91 Se 0.21005306984251 0.68728703859588 0.75000000000000 78.960 > 89 92 Se 0.71005306984251 0.68728703859588 0.75000000000000 78.960 > 89 93 Se 0.21005306984251 0.06271296140412 0.25000000000000 78.960 > 93 94 Se 0.71005306984251 0.06271296140412 0.25000000000000 78.960 > 93 95 Se 0.21005306984251 0.56271296140412 0.25000000000000 78.960 > 93 96 Se 0.71005306984251 0.56271296140412 0.25000000000000 78.960 > 93 97 Er 0.30345741941852 0.12500000000000 0.50000000000000 167.259 > 97 98 Er 0.80345741941852 0.12500000000000 0.50000000000000 167.259 > 97 99 Er 0.30345741941852 0.62500000000000 0.50000000000000 167.259 > 97 100 Er 0.80345741941852 0.62500000000000 0.50000000000000 167.259 > 97 101 Er 0.30345741941852 0.12500000000000 0.00000000000000 167.259 > 101 102 Er 0.80345741941852 0.12500000000000 0.00000000000000 167.259 > 101 103 Er 0.30345741941852 0.62500000000000 0.00000000000000 167.259 > 101 104 Er 0.80345741941852 0.62500000000000 0.00000000000000 167.259 > 101 105 Er 0.19654258058148 0.37500000000000 0.50000000000000 167.259 > 105 106 Er 0.69654258058148 0.37500000000000 0.50000000000000 167.259 > 105 107 Er 0.19654258058148 0.87500000000000 0.50000000000000 167.259 > 105 108 Er 0.69654258058148 0.87500000000000 0.50000000000000 167.259 > 105 109 Er 0.19654258058148 0.37500000000000 0.00000000000000 167.259 > 109 110 Er 0.69654258058148 0.37500000000000 0.00000000000000 167.259 > 109 111 Er 0.19654258058148 0.87500000000000 0.00000000000000 167.259 > 109 112 Er 0.69654258058148 0.87500000000000 0.00000000000000 167.259 > 109 113 Er 0.43381225501858 0.26339533309586 0.75000000000000 167.259 > 113 114 Er 0.93381225501858 0.26339533309586 0.75000000000000 167.259 > 113 115 Er 0.43381225501858 0.76339533309586 0.75000000000000 167.259 > 113 116 Er 0.93381225501858 0.76339533309586 0.75000000000000 167.259 > 113 117 Er 0.43381225501858 0.48660466690414 0.25000000000000 167.259 > 117 118 Er 0.93381225501858 0.48660466690414 0.25000000000000 167.259 > 117 119 Er 0.43381225501858 0.98660466690414 0.25000000000000 167.259 > 117 120 Er 0.93381225501858 0.98660466690414 0.25000000000000 167.259 > 117 121 Er 0.06618774498142 0.01339533309586 0.75000000000000 167.259 > 121 122 Er 0.56618774498142 0.01339533309586 0.75000000000000 167.259 > 121 123 Er 0.06618774498142 0.51339533309586 0.75000000000000 167.259 > 121 124 Er 0.56618774498142 0.51339533309586 0.75000000000000 167.259 > 121 125 Er 0.06618774498142 0.23660466690414 0.25000000000000 167.259 > 125 126 Er 0.56618774498142 0.23660466690414 0.25000000000000 167.259 > 125 127 Er 0.06618774498142 0.73660466690414 0.25000000000000 167.259 > 125 128 Er 0.56618774498142 0.73660466690414 0.25000000000000 167.259 > 125----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2419507 0.0000000 0.0000000 0.0000000 5.5568100 0.0000000 0.0000000 0.0000000 5.2413978-------------------------- Born effective charges -------------------------- 1 O -2.1073720 -0.1981144 0.0720514 -0.3215697 -2.5366325 -0.1835534 0.0771222 -0.1228927 -2.3418906 2 O -2.1073720 0.1981144 -0.0720514 0.3215697 -2.5366325 -0.1835534 -0.0771222 -0.1228927 -2.3418906 3 O -2.1073720 0.1981144 0.0720514 0.3215697 -2.5366325 0.1835534 0.0771222 0.1228927 -2.3418906 4 O -2.1073720 -0.1981144 -0.0720514 -0.3215697 -2.5366325 0.1835534 -0.0771222 0.1228927 -2.3418906 5 O -2.1073720 -0.1981144 0.0720514 -0.3215697 -2.5366325 -0.1835534 0.0771222 -0.1228927 -2.3418906 6 O -2.1073720 0.1981144 -0.0720514 0.3215697 -2.5366325 -0.1835534 -0.0771222 -0.1228927 -2.3418906 7 O -2.1073720 0.1981144 0.0720514 0.3215697 -2.5366325 0.1835534 0.0771222 0.1228927 -2.3418906 8 O -2.1073720 -0.1981144 -0.0720514 -0.3215697 -2.5366325 0.1835534 -0.0771222 0.1228927 -2.3418906 9 O -2.6407488 0.3140035 -0.0295275 0.1860614 -1.9439399 0.1404169 0.0590319 0.0622081 -2.3723522 10 O -2.6407488 0.3140035 0.0295275 0.1860614 -1.9439399 -0.1404169 -0.0590319 -0.0622081 -2.3723522 11 O -2.6407488 -0.3140035 -0.0295275 -0.1860614 -1.9439399 -0.1404169 0.0590319 -0.0622081 -2.3723522 12 O -2.6407488 0.3140035 0.0295275 0.1860614 -1.9439399 -0.1404169 -0.0590319 -0.0622081 -2.3723522 13 O -2.6407488 0.3140035 -0.0295275 0.1860614 -1.9439399 0.1404169 0.0590319 0.0622081 -2.3723522 14 O -2.6407488 -0.3140035 0.0295275 -0.1860614 -1.9439399 0.1404169 -0.0590319 0.0622081 -2.3723522 15 O -2.6407488 -0.3140035 -0.0295275 -0.1860614 -1.9439399 -0.1404169 0.0590319 -0.0622081 -2.3723522 16 O -2.6407488 -0.3140035 0.0295275 -0.1860614 -1.9439399 0.1404169 -0.0590319 0.0622081 -2.3723522 17 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 0.0070185 0.0000000 0.1742336 3.7162587 18 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 0.0070185 0.0000000 0.1742336 3.7162587 19 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 -0.0070185 0.0000000 -0.1742336 3.7162587 20 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 -0.0070185 0.0000000 -0.1742336 3.7162587 21 Se -2.2311636 0.3524248 0.0000000 0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 22 Se -2.2311636 -0.3524248 0.0000000 -0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 23 Se -2.2311636 -0.3524248 0.0000000 -0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 24 Se -2.2311636 0.3524248 0.0000000 0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 25 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 -0.0269127 0.0000000 0.1953500 4.2416306 26 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 0.0269127 0.0000000 -0.1953500 4.2416306 27 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 -0.0269127 0.0000000 0.1953500 4.2416306 28 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 0.0269127 0.0000000 -0.1953500 4.2416306 29 Er 4.2021914 -0.2410868 0.0000000 -0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948 30 Er 4.2021914 0.2410868 0.0000000 0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948 31 Er 4.2021914 0.2410868 0.0000000 0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948 32 Er 4.2021914 -0.2410868 0.0000000 -0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948----------------------------------------------------------------------------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[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]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[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 113, 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: 0.00000003 (xyx) 0.00000003 (xyx) 0.00000003 (xxy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) 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 03:32:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 03:32:37]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcm (57)------------------------------ primitive cell ------------------------------Lattice vectors: a 5.925648130000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.829157880000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.624203190000001Atomic positions (fractional): 1 O 0.27822596654459 0.43417730375782 0.03303678301791 15.999 2 O 0.27822596654459 0.06582269624218 0.96696321698209 15.999 3 O 0.72177403345541 0.93417730375782 0.46696321698209 15.999 4 O 0.72177403345541 0.56582269624218 0.53303678301791 15.999 5 O 0.72177403345541 0.56582269624218 0.96696321698209 15.999 6 O 0.72177403345541 0.93417730375782 0.03303678301791 15.999 7 O 0.27822596654459 0.06582269624218 0.53303678301791 15.999 8 O 0.27822596654459 0.43417730375782 0.46696321698209 15.999 9 O 0.05858759025039 0.74276266568796 0.12236609337003 15.999 10 O 0.05858759025039 0.74276266568796 0.37763390662997 15.999 11 O 0.94141240974961 0.24276266568796 0.37763390662997 15.999 12 O 0.94141240974961 0.25723733431204 0.62236609337003 15.999 13 O 0.94141240974961 0.25723733431204 0.87763390662997 15.999 14 O 0.94141240974961 0.24276266568796 0.12236609337003 15.999 15 O 0.05858759025039 0.75723733431204 0.62236609337003 15.999 16 O 0.05858759025039 0.75723733431204 0.87763390662997 15.999 17 Si 0.11189787266326 0.25000000000000 0.00000000000000 28.085 18 Si 0.88810212733674 0.75000000000000 0.00000000000000 28.085 19 Si 0.88810212733674 0.75000000000000 0.50000000000000 28.085 20 Si 0.11189787266326 0.25000000000000 0.50000000000000 28.085 21 Se 0.57989386031499 0.87457407719176 0.75000000000000 78.960 22 Se 0.57989386031499 0.62542592280824 0.25000000000000 78.960 23 Se 0.42010613968501 0.37457407719176 0.75000000000000 78.960 24 Se 0.42010613968501 0.12542592280824 0.25000000000000 78.960 25 Er 0.60691483883704 0.25000000000000 0.50000000000000 167.259 26 Er 0.60691483883704 0.25000000000000 0.00000000000000 167.259 27 Er 0.39308516116296 0.75000000000000 0.50000000000000 167.259 28 Er 0.39308516116296 0.75000000000000 0.00000000000000 167.259 29 Er 0.86762451003716 0.52679066619171 0.75000000000000 167.259 30 Er 0.86762451003716 0.97320933380829 0.25000000000000 167.259 31 Er 0.13237548996284 0.02679066619171 0.75000000000000 167.259 32 Er 0.13237548996284 0.47320933380829 0.25000000000000 167.259-------------------------------- supercell ---------------------------------Lattice vectors: a 11.851296260000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.658315760000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.624203190000001Atomic positions (fractional): 1 O 0.13911298327229 0.21708865187891 0.03303678301791 15.999 > 1 2 O 0.63911298327229 0.21708865187891 0.03303678301791 15.999 > 1 3 O 0.13911298327229 0.71708865187891 0.03303678301791 15.999 > 1 4 O 0.63911298327229 0.71708865187891 0.03303678301791 15.999 > 1 5 O 0.13911298327229 0.03291134812109 0.96696321698209 15.999 > 5 6 O 0.63911298327229 0.03291134812109 0.96696321698209 15.999 > 5 7 O 0.13911298327229 0.53291134812109 0.96696321698209 15.999 > 5 8 O 0.63911298327229 0.53291134812109 0.96696321698209 15.999 > 5 9 O 0.36088701672771 0.46708865187891 0.46696321698209 15.999 > 9 10 O 0.86088701672771 0.46708865187891 0.46696321698209 15.999 > 9 11 O 0.36088701672771 0.96708865187891 0.46696321698209 15.999 > 9 12 O 0.86088701672771 0.96708865187891 0.46696321698209 15.999 > 9 13 O 0.36088701672771 0.28291134812109 0.53303678301791 15.999 > 13 14 O 0.86088701672771 0.28291134812109 0.53303678301791 15.999 > 13 15 O 0.36088701672771 0.78291134812109 0.53303678301791 15.999 > 13 16 O 0.86088701672771 0.78291134812109 0.53303678301791 15.999 > 13 17 O 0.36088701672771 0.28291134812109 0.96696321698209 15.999 > 17 18 O 0.86088701672771 0.28291134812109 0.96696321698209 15.999 > 17 19 O 0.36088701672771 0.78291134812109 0.96696321698209 15.999 > 17 20 O 0.86088701672771 0.78291134812109 0.96696321698209 15.999 > 17 21 O 0.36088701672771 0.46708865187891 0.03303678301791 15.999 > 21 22 O 0.86088701672771 0.46708865187891 0.03303678301791 15.999 > 21 23 O 0.36088701672771 0.96708865187891 0.03303678301791 15.999 > 21 24 O 0.86088701672771 0.96708865187891 0.03303678301791 15.999 > 21 25 O 0.13911298327229 0.03291134812109 0.53303678301791 15.999 > 25 26 O 0.63911298327229 0.03291134812109 0.53303678301791 15.999 > 25 27 O 0.13911298327229 0.53291134812109 0.53303678301791 15.999 > 25 28 O 0.63911298327229 0.53291134812109 0.53303678301791 15.999 > 25 29 O 0.13911298327229 0.21708865187891 0.46696321698209 15.999 > 29 30 O 0.63911298327229 0.21708865187891 0.46696321698209 15.999 > 29 31 O 0.13911298327229 0.71708865187891 0.46696321698209 15.999 > 29 32 O 0.63911298327229 0.71708865187891 0.46696321698209 15.999 > 29 33 O 0.02929379512520 0.37138133284398 0.12236609337003 15.999 > 33 34 O 0.52929379512520 0.37138133284398 0.12236609337003 15.999 > 33 35 O 0.02929379512520 0.87138133284398 0.12236609337003 15.999 > 33 36 O 0.52929379512520 0.87138133284398 0.12236609337003 15.999 > 33 37 O 0.02929379512520 0.37138133284398 0.37763390662997 15.999 > 37 38 O 0.52929379512520 0.37138133284398 0.37763390662997 15.999 > 37 39 O 0.02929379512520 0.87138133284398 0.37763390662997 15.999 > 37 40 O 0.52929379512520 0.87138133284398 0.37763390662997 15.999 > 37 41 O 0.47070620487480 0.12138133284398 0.37763390662997 15.999 > 41 42 O 0.97070620487480 0.12138133284398 0.37763390662997 15.999 > 41 43 O 0.47070620487480 0.62138133284398 0.37763390662997 15.999 > 41 44 O 0.97070620487480 0.62138133284398 0.37763390662997 15.999 > 41 45 O 0.47070620487480 0.12861866715602 0.62236609337003 15.999 > 45 46 O 0.97070620487480 0.12861866715602 0.62236609337003 15.999 > 45 47 O 0.47070620487480 0.62861866715602 0.62236609337003 15.999 > 45 48 O 0.97070620487480 0.62861866715602 0.62236609337003 15.999 > 45 49 O 0.47070620487480 0.12861866715602 0.87763390662997 15.999 > 49 50 O 0.97070620487480 0.12861866715602 0.87763390662997 15.999 > 49 51 O 0.47070620487480 0.62861866715602 0.87763390662997 15.999 > 49 52 O 0.97070620487480 0.62861866715602 0.87763390662997 15.999 > 49 53 O 0.47070620487480 0.12138133284398 0.12236609337003 15.999 > 53 54 O 0.97070620487480 0.12138133284398 0.12236609337003 15.999 > 53 55 O 0.47070620487480 0.62138133284398 0.12236609337003 15.999 > 53 56 O 0.97070620487480 0.62138133284398 0.12236609337003 15.999 > 53 57 O 0.02929379512520 0.37861866715602 0.62236609337003 15.999 > 57 58 O 0.52929379512520 0.37861866715602 0.62236609337003 15.999 > 57 59 O 0.02929379512520 0.87861866715602 0.62236609337003 15.999 > 57 60 O 0.52929379512520 0.87861866715602 0.62236609337003 15.999 > 57 61 O 0.02929379512520 0.37861866715602 0.87763390662997 15.999 > 61 62 O 0.52929379512520 0.37861866715602 0.87763390662997 15.999 > 61 63 O 0.02929379512520 0.87861866715602 0.87763390662997 15.999 > 61 64 O 0.52929379512520 0.87861866715602 0.87763390662997 15.999 > 61 65 Si 0.05594893633163 0.12500000000000 0.00000000000000 28.085 > 65 66 Si 0.55594893633163 0.12500000000000 0.00000000000000 28.085 > 65 67 Si 0.05594893633163 0.62500000000000 0.00000000000000 28.085 > 65 68 Si 0.55594893633163 0.62500000000000 0.00000000000000 28.085 > 65 69 Si 0.44405106366837 0.37500000000000 0.00000000000000 28.085 > 69 70 Si 0.94405106366837 0.37500000000000 0.00000000000000 28.085 > 69 71 Si 0.44405106366837 0.87500000000000 0.00000000000000 28.085 > 69 72 Si 0.94405106366837 0.87500000000000 0.00000000000000 28.085 > 69 73 Si 0.44405106366837 0.37500000000000 0.50000000000000 28.085 > 73 74 Si 0.94405106366837 0.37500000000000 0.50000000000000 28.085 > 73 75 Si 0.44405106366837 0.87500000000000 0.50000000000000 28.085 > 73 76 Si 0.94405106366837 0.87500000000000 0.50000000000000 28.085 > 73 77 Si 0.05594893633163 0.12500000000000 0.50000000000000 28.085 > 77 78 Si 0.55594893633163 0.12500000000000 0.50000000000000 28.085 > 77 79 Si 0.05594893633163 0.62500000000000 0.50000000000000 28.085 > 77 80 Si 0.55594893633163 0.62500000000000 0.50000000000000 28.085 > 77 81 Se 0.28994693015749 0.43728703859588 0.75000000000000 78.960 > 81 82 Se 0.78994693015749 0.43728703859588 0.75000000000000 78.960 > 81 83 Se 0.28994693015749 0.93728703859588 0.75000000000000 78.960 > 81 84 Se 0.78994693015749 0.93728703859588 0.75000000000000 78.960 > 81 85 Se 0.28994693015749 0.31271296140412 0.25000000000000 78.960 > 85 86 Se 0.78994693015749 0.31271296140412 0.25000000000000 78.960 > 85 87 Se 0.28994693015749 0.81271296140412 0.25000000000000 78.960 > 85 88 Se 0.78994693015749 0.81271296140412 0.25000000000000 78.960 > 85 89 Se 0.21005306984251 0.18728703859588 0.75000000000000 78.960 > 89 90 Se 0.71005306984251 0.18728703859588 0.75000000000000 78.960 > 89 91 Se 0.21005306984251 0.68728703859588 0.75000000000000 78.960 > 89 92 Se 0.71005306984251 0.68728703859588 0.75000000000000 78.960 > 89 93 Se 0.21005306984251 0.06271296140412 0.25000000000000 78.960 > 93 94 Se 0.71005306984251 0.06271296140412 0.25000000000000 78.960 > 93 95 Se 0.21005306984251 0.56271296140412 0.25000000000000 78.960 > 93 96 Se 0.71005306984251 0.56271296140412 0.25000000000000 78.960 > 93 97 Er 0.30345741941852 0.12500000000000 0.50000000000000 167.259 > 97 98 Er 0.80345741941852 0.12500000000000 0.50000000000000 167.259 > 97 99 Er 0.30345741941852 0.62500000000000 0.50000000000000 167.259 > 97 100 Er 0.80345741941852 0.62500000000000 0.50000000000000 167.259 > 97 101 Er 0.30345741941852 0.12500000000000 0.00000000000000 167.259 > 101 102 Er 0.80345741941852 0.12500000000000 0.00000000000000 167.259 > 101 103 Er 0.30345741941852 0.62500000000000 0.00000000000000 167.259 > 101 104 Er 0.80345741941852 0.62500000000000 0.00000000000000 167.259 > 101 105 Er 0.19654258058148 0.37500000000000 0.50000000000000 167.259 > 105 106 Er 0.69654258058148 0.37500000000000 0.50000000000000 167.259 > 105 107 Er 0.19654258058148 0.87500000000000 0.50000000000000 167.259 > 105 108 Er 0.69654258058148 0.87500000000000 0.50000000000000 167.259 > 105 109 Er 0.19654258058148 0.37500000000000 0.00000000000000 167.259 > 109 110 Er 0.69654258058148 0.37500000000000 0.00000000000000 167.259 > 109 111 Er 0.19654258058148 0.87500000000000 0.00000000000000 167.259 > 109 112 Er 0.69654258058148 0.87500000000000 0.00000000000000 167.259 > 109 113 Er 0.43381225501858 0.26339533309586 0.75000000000000 167.259 > 113 114 Er 0.93381225501858 0.26339533309586 0.75000000000000 167.259 > 113 115 Er 0.43381225501858 0.76339533309586 0.75000000000000 167.259 > 113 116 Er 0.93381225501858 0.76339533309586 0.75000000000000 167.259 > 113 117 Er 0.43381225501858 0.48660466690414 0.25000000000000 167.259 > 117 118 Er 0.93381225501858 0.48660466690414 0.25000000000000 167.259 > 117 119 Er 0.43381225501858 0.98660466690414 0.25000000000000 167.259 > 117 120 Er 0.93381225501858 0.98660466690414 0.25000000000000 167.259 > 117 121 Er 0.06618774498142 0.01339533309586 0.75000000000000 167.259 > 121 122 Er 0.56618774498142 0.01339533309586 0.75000000000000 167.259 > 121 123 Er 0.06618774498142 0.51339533309586 0.75000000000000 167.259 > 121 124 Er 0.56618774498142 0.51339533309586 0.75000000000000 167.259 > 121 125 Er 0.06618774498142 0.23660466690414 0.25000000000000 167.259 > 125 126 Er 0.56618774498142 0.23660466690414 0.25000000000000 167.259 > 125 127 Er 0.06618774498142 0.73660466690414 0.25000000000000 167.259 > 125 128 Er 0.56618774498142 0.73660466690414 0.25000000000000 167.259 > 125----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.2419507 0.0000000 0.0000000 0.0000000 5.5568100 0.0000000 0.0000000 0.0000000 5.2413978-------------------------- Born effective charges -------------------------- 1 O -2.1073720 -0.1981144 0.0720514 -0.3215697 -2.5366325 -0.1835534 0.0771222 -0.1228927 -2.3418906 2 O -2.1073720 0.1981144 -0.0720514 0.3215697 -2.5366325 -0.1835534 -0.0771222 -0.1228927 -2.3418906 3 O -2.1073720 0.1981144 0.0720514 0.3215697 -2.5366325 0.1835534 0.0771222 0.1228927 -2.3418906 4 O -2.1073720 -0.1981144 -0.0720514 -0.3215697 -2.5366325 0.1835534 -0.0771222 0.1228927 -2.3418906 5 O -2.1073720 -0.1981144 0.0720514 -0.3215697 -2.5366325 -0.1835534 0.0771222 -0.1228927 -2.3418906 6 O -2.1073720 0.1981144 -0.0720514 0.3215697 -2.5366325 -0.1835534 -0.0771222 -0.1228927 -2.3418906 7 O -2.1073720 0.1981144 0.0720514 0.3215697 -2.5366325 0.1835534 0.0771222 0.1228927 -2.3418906 8 O -2.1073720 -0.1981144 -0.0720514 -0.3215697 -2.5366325 0.1835534 -0.0771222 0.1228927 -2.3418906 9 O -2.6407488 0.3140035 -0.0295275 0.1860614 -1.9439399 0.1404169 0.0590319 0.0622081 -2.3723522 10 O -2.6407488 0.3140035 0.0295275 0.1860614 -1.9439399 -0.1404169 -0.0590319 -0.0622081 -2.3723522 11 O -2.6407488 -0.3140035 -0.0295275 -0.1860614 -1.9439399 -0.1404169 0.0590319 -0.0622081 -2.3723522 12 O -2.6407488 0.3140035 0.0295275 0.1860614 -1.9439399 -0.1404169 -0.0590319 -0.0622081 -2.3723522 13 O -2.6407488 0.3140035 -0.0295275 0.1860614 -1.9439399 0.1404169 0.0590319 0.0622081 -2.3723522 14 O -2.6407488 -0.3140035 0.0295275 -0.1860614 -1.9439399 0.1404169 -0.0590319 0.0622081 -2.3723522 15 O -2.6407488 -0.3140035 -0.0295275 -0.1860614 -1.9439399 -0.1404169 0.0590319 -0.0622081 -2.3723522 16 O -2.6407488 -0.3140035 0.0295275 -0.1860614 -1.9439399 0.1404169 -0.0590319 0.0622081 -2.3723522 17 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 0.0070185 0.0000000 0.1742336 3.7162587 18 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 0.0070185 0.0000000 0.1742336 3.7162587 19 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 -0.0070185 0.0000000 -0.1742336 3.7162587 20 Si 3.7686523 -0.0000000 0.0000000 -0.0000000 2.7260246 -0.0070185 0.0000000 -0.1742336 3.7162587 21 Se -2.2311636 0.3524248 0.0000000 0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 22 Se -2.2311636 -0.3524248 0.0000000 -0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 23 Se -2.2311636 -0.3524248 0.0000000 -0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 24 Se -2.2311636 0.3524248 0.0000000 0.3955173 -2.0826806 0.0000000 0.0000000 0.0000000 -2.0639985 25 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 -0.0269127 0.0000000 0.1953500 4.2416306 26 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 0.0269127 0.0000000 -0.1953500 4.2416306 27 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 -0.0269127 0.0000000 0.1953500 4.2416306 28 Er 3.7565613 -0.0000000 0.0000000 -0.0000000 4.2048220 0.0269127 0.0000000 -0.1953500 4.2416306 29 Er 4.2021914 -0.2410868 0.0000000 -0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948 30 Er 4.2021914 0.2410868 0.0000000 0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948 31 Er 4.2021914 0.2410868 0.0000000 0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948 32 Er 4.2021914 -0.2410868 0.0000000 -0.1190034 4.1129787 0.0000000 0.0000000 0.0000000 3.5345948----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000003 (xyx) 0.00000003 (xyx) 0.00000003 (xxy)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 ... [ 8 7 5 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 299, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/60) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.355 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.015 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.457 ( 0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.683 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.137 ( 0.000 0.000 0.000) 0.000 8.386 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.623 ( 0.000 0.000 0.000) 0.000 8.925 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 9.628 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.614 ( 0.000 0.000 0.000) 0.000 10.629 ( 0.000 0.000 0.000) 0.000 10.721 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 11.192 ( 0.000 0.000 0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 11.602 ( 0.000 0.000 0.000) 0.000 11.651 ( 0.000 0.000 0.000) 0.000 12.619 ( 0.000 0.000 0.000) 0.000 12.746 ( 0.000 0.000 0.000) 0.000 13.058 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.683 ( 0.000 0.000 0.000) 0.000 14.899 ( 0.000 0.000 0.000) 0.000 15.082 ( 0.000 0.000 0.000) 0.000 15.172 ( 0.000 0.000 0.000) 0.000 15.433 ( 0.000 0.000 0.000) 0.000 15.803 ( 0.000 0.000 0.000) 0.000 15.929 ( 0.000 0.000 0.000) 0.000 16.372 ( 0.000 0.000 0.000) 0.000 16.478 ( 0.000 0.000 0.000) 0.000 16.564 ( 0.000 0.000 0.000) 0.000 17.243 ( 0.000 0.000 0.000) 0.000 24.523 ( 0.000 0.000 0.000) 0.000 24.627 ( 0.000 0.000 0.000) 0.000 24.769 ( 0.000 0.000 0.000) 0.000 24.996 ( 0.000 0.000 0.000) 0.000 25.022 ( 0.000 0.000 0.000) 0.000 25.096 ( 0.000 0.000 0.000) 0.000 25.549 ( 0.000 0.000 0.000) 0.000 25.888 ( 0.000 0.000 0.000) 0.000 27.546 ( 0.000 0.000 0.000) 0.000 27.616 ( 0.000 0.000 0.000) 0.000 27.736 ( 0.000 0.000 0.000) 0.000 27.841 ( 0.000 0.000 0.000) 0.000 27.928 ( 0.000 0.000 0.000) 0.000 27.991 ( 0.000 0.000 0.000) 0.000 28.011 ( 0.000 0.000 0.000) 0.000 28.890 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/60) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( 24.464 0.000 0.000) 24.464 0.624 ( 28.993 0.000 0.000) 28.993 1.116 ( 48.286 0.000 0.000) 48.286 1.371 ( 1.373 0.000 0.000) 1.373 1.683 ( 3.862 0.000 0.000) 3.862 1.783 ( -8.462 0.000 0.000) 8.462 1.967 ( 0.400 0.000 0.000) 0.400 2.133 ( -2.158 0.000 0.000) 2.158 2.150 ( 3.050 0.000 0.000) 3.050 2.770 ( 18.654 0.000 0.000) 18.654 2.794 ( -8.661 0.000 0.000) 8.661 2.888 ( 0.766 0.000 0.000) 0.766 3.139 ( -7.337 0.000 0.000) 7.337 3.173 ( 0.982 0.000 0.000) 0.982 3.195 ( 4.370 0.000 0.000) 4.370 3.298 ( 8.966 0.000 0.000) 8.966 3.435 ( 1.705 0.000 0.000) 1.705 3.470 ( 2.367 0.000 0.000) 2.367 3.620 ( 12.275 0.000 0.000) 12.275 3.648 ( -2.577 0.000 0.000) 2.577 3.728 ( -0.015 0.000 0.000) 0.015 3.736 ( -0.332 0.000 0.000) 0.332 3.900 ( 3.934 0.000 0.000) 3.934 3.930 ( 0.605 0.000 0.000) 0.605 4.084 ( -0.690 0.000 0.000) 0.690 4.088 ( 6.826 0.000 0.000) 6.826 4.163 ( 10.194 0.000 0.000) 10.194 4.339 ( 13.654 0.000 0.000) 13.654 4.434 ( -1.357 0.000 0.000) 1.357 4.652 ( 0.529 0.000 0.000) 0.529 4.874 ( 0.775 0.000 0.000) 0.775 4.936 ( 0.628 0.000 0.000) 0.628 4.994 ( 2.182 0.000 0.000) 2.182 5.135 ( 1.987 0.000 0.000) 1.987 5.171 ( -9.296 0.000 0.000) 9.296 5.678 ( 4.463 0.000 0.000) 4.463 6.787 ( -5.279 0.000 0.000) 5.279 6.984 ( -0.214 0.000 0.000) 0.214 7.156 ( 1.527 0.000 0.000) 1.527 7.187 ( -1.560 0.000 0.000) 1.560 7.458 ( -0.146 0.000 0.000) 0.146 7.491 ( -3.166 0.000 0.000) 3.166 7.716 ( 0.934 0.000 0.000) 0.934 7.781 ( 1.930 0.000 0.000) 1.930 7.841 ( 0.027 0.000 0.000) 0.027 7.960 ( 3.774 0.000 0.000) 3.774 8.049 ( -3.149 0.000 0.000) 3.149 8.142 ( 0.443 0.000 0.000) 0.443 8.358 ( -5.654 0.000 0.000) 5.654 8.437 ( 4.581 0.000 0.000) 4.581 8.968 ( -4.198 0.000 0.000) 4.198 8.990 ( 5.020 0.000 0.000) 5.020 9.536 ( -2.760 0.000 0.000) 2.760 9.605 ( -2.166 0.000 0.000) 2.166 9.831 ( 4.900 0.000 0.000) 4.900 10.078 ( 0.376 0.000 0.000) 0.376 10.431 ( -10.030 0.000 0.000) 10.030 10.565 ( -4.406 0.000 0.000) 4.406 10.633 ( -0.385 0.000 0.000) 0.385 10.714 ( 0.080 0.000 0.000) 0.080 11.116 ( 4.903 0.000 0.000) 4.903 11.120 ( -6.711 0.000 0.000) 6.711 11.505 ( 5.239 0.000 0.000) 5.239 11.551 ( -7.747 0.000 0.000) 7.747 11.673 ( 2.020 0.000 0.000) 2.020 12.491 ( -8.732 0.000 0.000) 8.732 12.716 ( -2.695 0.000 0.000) 2.695 12.953 ( -9.046 0.000 0.000) 9.046 13.212 ( 10.015 0.000 0.000) 10.015 13.641 ( -4.068 0.000 0.000) 4.068 14.843 ( -6.756 0.000 0.000) 6.756 15.085 ( 3.046 0.000 0.000) 3.046 15.177 ( 0.424 0.000 0.000) 0.424 15.593 ( -12.023 0.000 0.000) 12.023 15.862 ( -6.100 0.000 0.000) 6.100 16.495 ( 1.610 0.000 0.000) 1.610 16.527 ( 12.593 0.000 0.000) 12.593 16.539 ( -2.271 0.000 0.000) 2.271 16.769 ( 16.490 0.000 0.000) 16.490 17.238 ( -0.472 0.000 0.000) 0.472 24.525 ( 0.212 0.000 0.000) 0.212 24.642 ( 1.329 0.000 0.000) 1.329 24.764 ( -0.410 0.000 0.000) 0.410 24.998 ( -1.072 0.000 0.000) 1.072 25.088 ( 1.873 0.000 0.000) 1.873 25.091 ( -0.406 0.000 0.000) 0.406 25.518 ( -2.353 0.000 0.000) 2.353 25.900 ( 0.547 0.000 0.000) 0.547 27.455 ( -8.536 0.000 0.000) 8.536 27.546 ( 0.044 0.000 0.000) 0.044 27.835 ( -0.491 0.000 0.000) 0.491 27.905 ( -2.146 0.000 0.000) 2.146 27.925 ( -5.752 0.000 0.000) 5.752 27.933 ( 11.676 0.000 0.000) 11.676 28.770 ( -10.416 0.000 0.000) 10.416 29.577 ( 3.510 0.000 0.000) 3.510======================= Grid point 2 (3/60) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( 20.017 0.000 0.000) 20.017 1.202 ( 24.468 0.000 0.000) 24.468 1.408 ( 2.118 0.000 0.000) 2.118 1.588 ( -7.029 0.000 0.000) 7.029 1.797 ( 6.899 0.000 0.000) 6.899 1.908 ( 24.064 0.000 0.000) 24.064 1.984 ( 0.557 0.000 0.000) 0.557 2.114 ( 0.608 0.000 0.000) 0.608 2.228 ( 3.718 0.000 0.000) 3.718 2.582 ( -10.257 0.000 0.000) 10.257 2.927 ( -12.455 0.000 0.000) 12.455 2.973 ( 8.814 0.000 0.000) 8.814 3.169 ( -8.240 0.000 0.000) 8.240 3.200 ( 1.420 0.000 0.000) 1.420 3.218 ( 20.367 0.000 0.000) 20.367 3.453 ( -0.136 0.000 0.000) 0.136 3.547 ( 5.269 0.000 0.000) 5.269 3.559 ( 14.764 0.000 0.000) 14.764 3.641 ( 1.883 0.000 0.000) 1.883 3.733 ( 0.456 0.000 0.000) 0.456 3.740 ( 0.957 0.000 0.000) 0.957 3.936 ( 13.383 0.000 0.000) 13.383 3.965 ( 2.736 0.000 0.000) 2.736 3.971 ( 2.620 0.000 0.000) 2.620 4.118 ( 7.622 0.000 0.000) 7.622 4.278 ( 9.967 0.000 0.000) 9.967 4.365 ( 7.305 0.000 0.000) 7.305 4.392 ( -2.541 0.000 0.000) 2.541 4.554 ( 0.160 0.000 0.000) 0.160 4.674 ( 1.659 0.000 0.000) 1.659 4.891 ( 0.662 0.000 0.000) 0.662 4.961 ( 1.656 0.000 0.000) 1.656 5.101 ( 8.234 0.000 0.000) 8.234 5.103 ( 8.835 0.000 0.000) 8.835 5.185 ( 2.448 0.000 0.000) 2.448 5.814 ( 8.258 0.000 0.000) 8.258 6.711 ( -1.340 0.000 0.000) 1.340 6.975 ( -0.275 0.000 0.000) 0.275 7.142 ( -3.135 0.000 0.000) 3.135 7.155 ( -1.130 0.000 0.000) 1.130 7.402 ( -5.014 0.000 0.000) 5.014 7.434 ( -2.391 0.000 0.000) 2.391 7.736 ( 0.748 0.000 0.000) 0.748 7.800 ( 0.184 0.000 0.000) 0.184 7.842 ( 0.202 0.000 0.000) 0.202 7.965 ( -4.104 0.000 0.000) 4.104 8.032 ( 1.818 0.000 0.000) 1.818 8.151 ( 0.283 0.000 0.000) 0.283 8.252 ( -3.774 0.000 0.000) 3.774 8.558 ( 6.168 0.000 0.000) 6.168 8.878 ( -3.881 0.000 0.000) 3.881 9.098 ( 4.690 0.000 0.000) 4.690 9.459 ( -4.018 0.000 0.000) 4.018 9.534 ( -4.764 0.000 0.000) 4.764 9.958 ( 6.901 0.000 0.000) 6.901 10.088 ( 0.444 0.000 0.000) 0.444 10.145 ( -16.497 0.000 0.000) 16.497 10.453 ( -5.314 0.000 0.000) 5.314 10.615 ( -1.048 0.000 0.000) 1.048 10.745 ( 2.631 0.000 0.000) 2.631 10.922 ( -11.432 0.000 0.000) 11.432 11.249 ( 7.027 0.000 0.000) 7.027 11.347 ( -10.526 0.000 0.000) 10.526 11.602 ( 3.072 0.000 0.000) 3.072 11.730 ( 3.181 0.000 0.000) 3.181 12.337 ( -5.105 0.000 0.000) 5.105 12.640 ( -4.216 0.000 0.000) 4.216 12.734 ( -10.348 0.000 0.000) 10.348 13.410 ( 7.983 0.000 0.000) 7.983 13.520 ( -6.871 0.000 0.000) 6.871 14.674 ( -7.549 0.000 0.000) 7.549 15.189 ( 0.619 0.000 0.000) 0.619 15.195 ( 5.996 0.000 0.000) 5.996 15.377 ( -7.612 0.000 0.000) 7.612 15.694 ( -9.125 0.000 0.000) 9.125 16.477 ( -3.343 0.000 0.000) 3.343 16.538 ( 2.174 0.000 0.000) 2.174 16.811 ( 12.751 0.000 0.000) 12.751 17.113 ( 14.687 0.000 0.000) 14.687 17.223 ( -0.935 0.000 0.000) 0.935 24.533 ( 0.508 0.000 0.000) 0.508 24.678 ( 2.001 0.000 0.000) 2.001 24.751 ( -0.816 0.000 0.000) 0.816 24.991 ( 0.401 0.000 0.000) 0.401 25.080 ( -0.667 0.000 0.000) 0.667 25.119 ( 0.928 0.000 0.000) 0.928 25.479 ( -0.803 0.000 0.000) 0.803 25.880 ( -3.025 0.000 0.000) 3.025 27.299 ( -6.072 0.000 0.000) 6.072 27.546 ( -0.081 0.000 0.000) 0.081 27.778 ( -7.476 0.000 0.000) 7.476 27.823 ( -0.571 0.000 0.000) 0.571 27.843 ( -3.506 0.000 0.000) 3.506 28.166 ( 9.879 0.000 0.000) 9.879 28.514 ( -12.167 0.000 0.000) 12.167 29.664 ( 4.214 0.000 0.000) 4.214======================= Grid point 3 (4/60) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.311 ( 6.814 0.000 0.000) 6.814 1.404 ( -1.602 0.000 0.000) 1.602 1.482 ( 5.607 0.000 0.000) 5.607 1.749 ( 17.045 0.000 0.000) 17.045 1.982 ( -0.453 0.000 0.000) 0.453 1.984 ( 11.259 0.000 0.000) 11.259 2.152 ( 2.391 0.000 0.000) 2.391 2.183 ( 5.912 0.000 0.000) 5.912 2.270 ( 0.189 0.000 0.000) 0.189 2.415 ( -3.529 0.000 0.000) 3.529 2.631 ( -15.082 0.000 0.000) 15.082 2.899 ( -16.003 0.000 0.000) 16.003 3.198 ( 9.008 0.000 0.000) 9.008 3.226 ( 1.059 0.000 0.000) 1.059 3.443 ( -0.459 0.000 0.000) 0.459 3.541 ( 9.973 0.000 0.000) 9.973 3.646 ( 3.388 0.000 0.000) 3.388 3.699 ( 2.864 0.000 0.000) 2.864 3.745 ( 0.498 0.000 0.000) 0.498 3.759 ( 0.756 0.000 0.000) 0.756 3.834 ( 8.731 0.000 0.000) 8.731 4.009 ( 1.046 0.000 0.000) 1.046 4.044 ( 2.251 0.000 0.000) 2.251 4.045 ( 3.975 0.000 0.000) 3.975 4.336 ( -2.421 0.000 0.000) 2.421 4.392 ( -5.988 0.000 0.000) 5.988 4.456 ( 6.029 0.000 0.000) 6.029 4.500 ( 7.289 0.000 0.000) 7.289 4.522 ( 17.644 0.000 0.000) 17.644 4.722 ( 2.677 0.000 0.000) 2.677 4.899 ( 0.106 0.000 0.000) 0.106 4.995 ( 1.272 0.000 0.000) 1.272 5.226 ( 1.236 0.000 0.000) 1.236 5.280 ( 6.670 0.000 0.000) 6.670 5.413 ( 14.089 0.000 0.000) 14.089 6.000 ( 7.969 0.000 0.000) 7.969 6.736 ( 3.491 0.000 0.000) 3.491 6.977 ( 0.115 0.000 0.000) 0.115 7.037 ( -5.983 0.000 0.000) 5.983 7.148 ( 0.462 0.000 0.000) 0.462 7.294 ( -4.768 0.000 0.000) 4.768 7.368 ( -3.228 0.000 0.000) 3.228 7.745 ( 0.140 0.000 0.000) 0.140 7.805 ( 0.590 0.000 0.000) 0.590 7.858 ( 1.571 0.000 0.000) 1.571 7.900 ( -1.895 0.000 0.000) 1.895 8.020 ( -2.448 0.000 0.000) 2.448 8.149 ( -0.603 0.000 0.000) 0.603 8.203 ( -1.140 0.000 0.000) 1.140 8.672 ( 4.203 0.000 0.000) 4.203 8.813 ( -2.138 0.000 0.000) 2.138 9.178 ( 2.725 0.000 0.000) 2.725 9.395 ( -1.243 0.000 0.000) 1.243 9.413 ( -5.866 0.000 0.000) 5.866 9.780 ( -16.491 0.000 0.000) 16.491 10.095 ( 0.200 0.000 0.000) 0.200 10.105 ( 6.245 0.000 0.000) 6.245 10.372 ( -1.945 0.000 0.000) 1.945 10.596 ( -0.617 0.000 0.000) 0.617 10.679 ( -10.304 0.000 0.000) 10.304 10.799 ( 1.889 0.000 0.000) 1.889 11.150 ( -7.224 0.000 0.000) 7.224 11.384 ( 5.122 0.000 0.000) 5.122 11.628 ( -0.139 0.000 0.000) 0.139 11.794 ( 2.559 0.000 0.000) 2.559 12.278 ( -0.945 0.000 0.000) 0.945 12.555 ( -3.416 0.000 0.000) 3.416 12.559 ( -5.764 0.000 0.000) 5.764 13.383 ( -5.270 0.000 0.000) 5.270 13.534 ( 3.803 0.000 0.000) 3.803 14.554 ( -3.741 0.000 0.000) 3.741 15.201 ( 0.456 0.000 0.000) 0.456 15.272 ( -2.754 0.000 0.000) 2.754 15.303 ( 3.799 0.000 0.000) 3.799 15.515 ( -6.855 0.000 0.000) 6.855 16.412 ( -2.469 0.000 0.000) 2.469 16.578 ( 1.460 0.000 0.000) 1.460 17.026 ( 7.176 0.000 0.000) 7.176 17.203 ( -0.833 0.000 0.000) 0.833 17.356 ( 7.977 0.000 0.000) 7.977 24.545 ( 0.595 0.000 0.000) 0.595 24.718 ( 1.536 0.000 0.000) 1.536 24.733 ( -0.837 0.000 0.000) 0.837 25.011 ( 1.219 0.000 0.000) 1.219 25.066 ( -0.573 0.000 0.000) 0.573 25.127 ( -0.131 0.000 0.000) 0.131 25.500 ( 3.015 0.000 0.000) 3.015 25.770 ( -6.902 0.000 0.000) 6.902 27.201 ( -3.184 0.000 0.000) 3.184 27.543 ( -0.171 0.000 0.000) 0.171 27.640 ( -4.988 0.000 0.000) 4.988 27.773 ( -2.676 0.000 0.000) 2.676 27.814 ( -0.304 0.000 0.000) 0.304 28.309 ( -6.705 0.000 0.000) 6.705 28.331 ( 5.479 0.000 0.000) 5.479 29.739 ( 2.606 0.000 0.000) 2.606======================= Grid point 4 (5/60) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.361 ( 0.000 0.000 0.000) 0.000 1.387 ( 0.000 0.000 0.000) 0.000 1.561 ( -0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.178 ( 0.000 0.000 0.000) 0.000 2.215 ( -0.000 0.000 0.000) 0.000 2.244 ( -0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 0.000) 0.000 2.362 ( 0.000 0.000 0.000) 0.000 2.525 ( -0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 4.898 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.349 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.813 ( -0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.230 ( -0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.881 ( 0.000 0.000 0.000) 0.000 7.888 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.192 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.790 ( 0.000 0.000 0.000) 0.000 9.207 ( 0.000 0.000 0.000) 0.000 9.340 ( 0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 10.097 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 10.553 ( -0.000 0.000 0.000) 0.000 10.590 ( 0.000 0.000 0.000) 0.000 10.817 ( 0.000 0.000 0.000) 0.000 11.070 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.622 ( 0.000 0.000 0.000) 0.000 11.823 ( 0.000 0.000 0.000) 0.000 12.272 ( 0.000 0.000 0.000) 0.000 12.498 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 13.324 ( 0.000 0.000 0.000) 0.000 13.574 ( 0.000 0.000 0.000) 0.000 14.515 ( 0.000 0.000 0.000) 0.000 15.206 ( 0.000 0.000 0.000) 0.000 15.245 ( 0.000 0.000 0.000) 0.000 15.344 ( 0.000 0.000 0.000) 0.000 15.438 ( 0.000 0.000 0.000) 0.000 16.384 ( 0.000 0.000 0.000) 0.000 16.594 ( 0.000 0.000 0.000) 0.000 17.103 ( 0.000 0.000 0.000) 0.000 17.193 ( 0.000 0.000 0.000) 0.000 17.441 ( 0.000 0.000 0.000) 0.000 24.552 ( 0.000 0.000 0.000) 0.000 24.722 ( 0.000 0.000 0.000) 0.000 24.735 ( 0.000 0.000 0.000) 0.000 25.027 ( -0.000 0.000 0.000) 0.000 25.059 ( 0.000 0.000 0.000) 0.000 25.122 ( 0.000 0.000 0.000) 0.000 25.582 ( 0.000 0.000 0.000) 0.000 25.641 ( 0.000 0.000 0.000) 0.000 27.167 ( 0.000 0.000 0.000) 0.000 27.541 ( 0.000 0.000 0.000) 0.000 27.585 ( 0.000 0.000 0.000) 0.000 27.744 ( 0.000 0.000 0.000) 0.000 27.811 ( 0.000 0.000 0.000) 0.000 28.238 ( 0.000 0.000 0.000) 0.000 28.390 ( 0.000 0.000 0.000) 0.000 29.767 ( 0.000 0.000 0.000) 0.000======================= Grid point 9 (6/60) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( 0.000 26.847 0.000) 26.847 0.634 ( 0.000 30.036 0.000) 30.036 1.165 ( 0.000 52.916 0.000) 52.916 1.627 ( 0.000 22.711 0.000) 22.711 1.657 ( 0.000 1.317 0.000) 1.317 1.902 ( 0.000 2.992 0.000) 2.992 2.197 ( 0.000 5.395 0.000) 5.395 2.199 ( 0.000 2.905 0.000) 2.905 2.264 ( 0.000 4.680 0.000) 4.680 2.610 ( 0.000 4.962 0.000) 4.962 2.843 ( 0.000 -4.354 0.000) 4.354 2.931 ( 0.000 -0.677 0.000) 0.677 2.934 ( 0.000 -1.466 0.000) 1.466 3.163 ( 0.000 -0.147 0.000) 0.147 3.205 ( 0.000 -1.453 0.000) 1.453 3.210 ( 0.000 0.039 0.000) 0.039 3.278 ( 0.000 -7.556 0.000) 7.556 3.389 ( 0.000 -3.747 0.000) 3.747 3.564 ( 0.000 3.101 0.000) 3.101 3.704 ( 0.000 0.346 0.000) 0.346 3.716 ( 0.000 -3.266 0.000) 3.266 3.777 ( 0.000 -10.347 0.000) 10.347 3.809 ( 0.000 6.822 0.000) 6.822 3.819 ( 0.000 -2.340 0.000) 2.340 3.912 ( 0.000 -1.556 0.000) 1.556 4.064 ( 0.000 1.109 0.000) 1.109 4.068 ( 0.000 -2.386 0.000) 2.386 4.146 ( 0.000 -0.088 0.000) 0.088 4.546 ( 0.000 7.661 0.000) 7.661 4.610 ( 0.000 -3.550 0.000) 3.550 4.856 ( 0.000 -9.667 0.000) 9.667 4.938 ( 0.000 0.833 0.000) 0.833 5.144 ( 0.000 1.663 0.000) 1.663 5.145 ( 0.000 0.460 0.000) 0.460 5.171 ( 0.000 1.831 0.000) 1.831 5.209 ( 0.000 -6.850 0.000) 6.850 6.936 ( 0.000 4.829 0.000) 4.829 7.012 ( 0.000 3.134 0.000) 3.134 7.128 ( 0.000 0.796 0.000) 0.796 7.461 ( 0.000 -0.092 0.000) 0.092 7.493 ( 0.000 -3.117 0.000) 3.117 7.682 ( 0.000 4.318 0.000) 4.318 7.767 ( 0.000 1.824 0.000) 1.824 7.834 ( 0.000 7.563 0.000) 7.563 7.850 ( 0.000 -4.362 0.000) 4.362 7.939 ( 0.000 2.028 0.000) 2.028 8.131 ( 0.000 -0.625 0.000) 0.625 8.390 ( 0.000 0.494 0.000) 0.494 8.535 ( 0.000 9.662 0.000) 9.662 8.620 ( 0.000 0.035 0.000) 0.035 8.829 ( 0.000 -5.514 0.000) 5.514 8.892 ( 0.000 -3.104 0.000) 3.104 9.066 ( 0.000 4.481 0.000) 4.481 9.454 ( 0.000 -12.011 0.000) 12.011 9.627 ( 0.000 -0.280 0.000) 0.280 9.972 ( 0.000 -2.323 0.000) 2.323 10.036 ( 0.000 -3.621 0.000) 3.621 10.511 ( 0.000 -9.582 0.000) 9.582 10.674 ( 0.000 3.139 0.000) 3.139 10.719 ( 0.000 -0.291 0.000) 0.291 10.994 ( 0.000 -6.686 0.000) 6.686 11.154 ( 0.000 -3.529 0.000) 3.529 11.388 ( 0.000 -9.218 0.000) 9.218 11.529 ( 0.000 -6.552 0.000) 6.552 11.674 ( 0.000 4.625 0.000) 4.625 12.714 ( 0.000 -3.046 0.000) 3.046 13.094 ( 0.000 1.991 0.000) 1.991 13.242 ( 0.000 15.544 0.000) 15.544 13.274 ( 0.000 -7.425 0.000) 7.425 13.987 ( 0.000 20.165 0.000) 20.165 14.842 ( 0.000 -5.793 0.000) 5.793 15.074 ( 0.000 -0.407 0.000) 0.407 15.151 ( 0.000 -1.932 0.000) 1.932 15.452 ( 0.000 1.389 0.000) 1.389 15.760 ( 0.000 -3.735 0.000) 3.735 16.103 ( 0.000 -2.517 0.000) 2.517 16.372 ( 0.000 0.166 0.000) 0.166 16.532 ( 0.000 5.081 0.000) 5.081 16.559 ( 0.000 -0.613 0.000) 0.613 17.224 ( 0.000 -1.938 0.000) 1.938 24.527 ( 0.000 0.487 0.000) 0.487 24.696 ( 0.000 5.917 0.000) 5.917 24.755 ( 0.000 -1.202 0.000) 1.202 24.975 ( 0.000 -1.730 0.000) 1.730 25.013 ( 0.000 -0.868 0.000) 0.868 25.097 ( 0.000 0.014 0.000) 0.014 25.931 ( 0.000 3.964 0.000) 3.964 26.549 ( 0.000 -1.662 0.000) 1.662 27.514 ( 0.000 -2.249 0.000) 2.249 27.618 ( 0.000 -6.754 0.000) 6.754 27.692 ( 0.000 6.267 0.000) 6.267 27.809 ( 0.000 -5.486 0.000) 5.486 27.959 ( 0.000 -2.891 0.000) 2.891 27.960 ( 0.000 6.721 0.000) 6.721 28.188 ( 0.000 10.853 0.000) 10.853 29.152 ( 0.000 -6.758 0.000) 6.758======================= Grid point 10 (7/60) =======================q-point: ( 0.12 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.781 ( 15.405 19.047 0.000) 24.497 0.948 ( 19.969 21.357 0.000) 29.238 1.526 ( 28.623 34.133 0.000) 44.546 1.616 ( -0.499 17.640 0.000) 17.647 1.712 ( 4.750 5.439 0.000) 7.221 1.865 ( -8.978 6.188 0.000) 10.904 1.976 ( -3.107 0.217 0.000) 3.114 2.199 ( -1.066 7.906 0.000) 7.977 2.330 ( 2.027 9.366 0.000) 9.583 2.777 ( -6.870 0.425 0.000) 6.883 2.820 ( 17.812 4.454 0.000) 18.360 2.841 ( 1.171 -4.211 0.000) 4.371 3.119 ( 2.417 -5.409 0.000) 5.924 3.137 ( -5.490 0.061 0.000) 5.490 3.176 ( 5.571 -0.598 0.000) 5.603 3.289 ( 6.488 0.164 0.000) 6.490 3.338 ( 3.861 -7.038 0.000) 8.027 3.449 ( 3.951 -3.518 0.000) 5.290 3.633 ( -3.583 0.247 0.000) 3.591 3.675 ( 7.751 -0.035 0.000) 7.751 3.709 ( -2.815 -3.790 0.000) 4.722 3.754 ( 4.748 2.123 0.000) 5.201 3.861 ( 3.098 -1.425 0.000) 3.410 3.866 ( 2.957 -3.487 0.000) 4.572 4.020 ( 10.137 -1.750 0.000) 10.287 4.074 ( 0.550 -1.299 0.000) 1.410 4.213 ( 9.203 1.140 0.000) 9.273 4.228 ( 6.314 -3.859 0.000) 7.400 4.570 ( 2.613 7.537 0.000) 7.977 4.632 ( 1.916 -2.369 0.000) 3.046 4.867 ( 1.649 -6.779 0.000) 6.976 4.947 ( -2.246 3.010 0.000) 3.755 4.963 ( 0.977 0.534 0.000) 1.113 5.115 ( -6.873 -4.461 0.000) 8.194 5.167 ( 1.803 2.124 0.000) 2.786 5.491 ( 12.000 -9.180 0.000) 15.109 6.835 ( -5.627 4.125 0.000) 6.977 7.032 ( -0.019 3.212 0.000) 3.212 7.165 ( 1.467 1.830 0.000) 2.346 7.442 ( -1.106 -1.235 0.000) 1.658 7.447 ( -14.256 11.563 0.000) 18.356 7.474 ( -1.877 -2.074 0.000) 2.797 7.775 ( -0.688 6.699 0.000) 6.734 7.805 ( 1.971 0.830 0.000) 2.139 7.905 ( 0.613 1.456 0.000) 1.580 7.964 ( 2.387 1.127 0.000) 2.639 8.074 ( -7.694 2.343 0.000) 8.043 8.162 ( -2.861 3.354 0.000) 4.409 8.424 ( 1.481 0.197 0.000) 1.494 8.468 ( -3.315 9.124 0.000) 9.707 8.965 ( 5.409 -2.703 0.000) 6.047 8.987 ( -3.090 1.762 0.000) 3.557 9.403 ( 1.145 -11.530 0.000) 11.587 9.588 ( -3.423 -1.257 0.000) 3.646 9.612 ( 15.146 -22.503 0.000) 27.125 10.016 ( 1.541 -9.148 0.000) 9.277 10.054 ( 1.576 -2.384 0.000) 2.857 10.501 ( -1.229 -6.442 0.000) 6.558 10.638 ( -0.947 0.353 0.000) 1.011 10.786 ( 3.353 3.651 0.000) 4.957 11.012 ( 1.888 -10.009 0.000) 10.186 11.084 ( -6.515 -3.330 0.000) 7.317 11.434 ( 3.646 -12.046 0.000) 12.585 11.469 ( -5.820 -6.145 0.000) 8.464 11.682 ( 0.693 4.025 0.000) 4.084 12.685 ( -2.671 -3.016 0.000) 4.029 12.710 ( -26.797 12.034 0.000) 29.375 13.156 ( -7.316 16.714 0.000) 18.245 13.185 ( 5.318 -0.646 0.000) 5.357 13.947 ( -3.623 20.548 0.000) 20.865 14.763 ( -7.167 -7.220 0.000) 10.173 15.095 ( 3.678 0.891 0.000) 3.784 15.178 ( 1.401 -0.205 0.000) 1.416 15.527 ( -10.737 -6.128 0.000) 12.363 15.858 ( 4.331 -0.270 0.000) 4.340 16.248 ( 12.774 -11.229 0.000) 17.008 16.497 ( 7.743 -1.811 0.000) 7.953 16.548 ( 1.626 0.029 0.000) 1.626 16.731 ( 16.021 0.166 0.000) 16.022 17.220 ( -0.383 -1.903 0.000) 1.941 24.528 ( 0.067 0.367 0.000) 0.373 24.707 ( 0.976 5.485 0.000) 5.571 24.751 ( -0.384 -1.094 0.000) 1.159 24.970 ( 0.033 -1.464 0.000) 1.465 25.054 ( 2.532 -2.026 0.000) 3.243 25.092 ( -0.391 0.029 0.000) 0.392 25.841 ( -12.735 10.576 0.000) 16.554 26.039 ( -11.880 14.438 0.000) 18.697 27.431 ( -7.027 -1.836 0.000) 7.263 27.543 ( -1.866 -1.810 0.000) 2.600 27.799 ( 4.058 1.187 0.000) 4.228 27.869 ( -3.757 -5.108 0.000) 6.341 27.904 ( -2.924 -1.196 0.000) 3.160 28.038 ( 7.297 6.196 0.000) 9.573 28.581 ( 7.477 -10.223 0.000) 12.666 29.253 ( 10.980 -15.051 0.000) 18.631======================= Grid point 11 (8/60) =======================q-point: ( 0.25 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.136 ( 16.496 10.840 0.000) 19.739 1.369 ( 19.425 12.835 0.000) 23.283 1.609 ( -0.218 14.436 0.000) 14.438 1.624 ( -9.246 3.744 0.000) 9.976 1.850 ( 8.272 7.204 0.000) 10.969 1.992 ( 4.131 1.186 0.000) 4.298 2.046 ( 11.775 13.041 0.000) 17.570 2.190 ( 0.959 7.142 0.000) 7.206 2.345 ( -1.811 5.296 0.000) 5.597 2.632 ( -5.656 4.718 0.000) 7.366 2.938 ( 6.764 -1.213 0.000) 6.872 2.938 ( -10.282 1.223 0.000) 10.355 3.145 ( 1.936 -1.964 0.000) 2.757 3.229 ( -2.128 2.251 0.000) 3.098 3.267 ( 17.679 4.270 0.000) 18.187 3.414 ( 3.379 -4.753 0.000) 5.832 3.501 ( 14.003 -4.320 0.000) 14.655 3.536 ( 4.189 -2.740 0.000) 5.005 3.575 ( -0.968 -2.054 0.000) 2.270 3.691 ( 1.004 -3.864 0.000) 3.992 3.764 ( 2.569 0.263 0.000) 2.583 3.911 ( 2.483 -3.929 0.000) 4.647 3.953 ( 4.746 0.392 0.000) 4.762 4.027 ( 13.000 4.855 0.000) 13.878 4.104 ( 6.074 -0.581 0.000) 6.102 4.260 ( 11.476 -1.002 0.000) 11.520 4.320 ( 1.785 -4.273 0.000) 4.631 4.372 ( 5.564 0.118 0.000) 5.566 4.594 ( -4.227 2.162 0.000) 4.748 4.691 ( 3.624 0.883 0.000) 3.731 4.903 ( 0.369 1.284 0.000) 1.336 4.954 ( 2.725 -1.310 0.000) 3.023 5.059 ( 7.902 -2.352 0.000) 8.244 5.104 ( 10.220 0.124 0.000) 10.220 5.222 ( 3.415 2.325 0.000) 4.131 5.700 ( 9.279 -8.840 0.000) 12.816 6.756 ( -1.434 3.990 0.000) 4.240 7.019 ( -0.940 2.357 0.000) 2.538 7.147 ( -2.940 2.254 0.000) 3.705 7.244 ( -5.711 6.696 0.000) 8.801 7.411 ( -4.131 0.059 0.000) 4.132 7.413 ( -2.182 -1.485 0.000) 2.639 7.765 ( -0.396 4.606 0.000) 4.623 7.815 ( -0.693 -0.587 0.000) 0.908 7.897 ( -0.989 0.327 0.000) 1.042 7.948 ( -4.433 0.336 0.000) 4.446 8.019 ( 1.914 0.196 0.000) 1.924 8.152 ( 0.120 0.776 0.000) 0.785 8.354 ( -3.610 9.056 0.000) 9.749 8.522 ( 3.991 -2.087 0.000) 4.504 8.917 ( -3.075 3.912 0.000) 4.976 9.069 ( 3.497 -4.269 0.000) 5.518 9.371 ( -2.716 -8.170 0.000) 8.609 9.501 ( -4.232 -1.032 0.000) 4.356 9.729 ( -3.554 -23.550 0.000) 23.816 10.018 ( 1.499 -1.302 0.000) 1.986 10.093 ( 1.905 -0.216 0.000) 1.917 10.454 ( -2.979 -0.577 0.000) 3.034 10.629 ( -0.021 1.183 0.000) 1.183 10.839 ( 1.806 5.203 0.000) 5.507 10.893 ( -10.957 -2.714 0.000) 11.288 11.079 ( 4.237 -17.002 0.000) 17.522 11.297 ( -9.441 -4.632 0.000) 10.516 11.508 ( 2.565 -14.830 0.000) 15.050 11.698 ( 0.756 2.643 0.000) 2.749 12.313 ( -12.228 5.572 0.000) 13.438 12.610 ( -4.165 -2.918 0.000) 5.086 12.987 ( -7.449 19.617 0.000) 20.984 13.309 ( 5.665 -4.082 0.000) 6.982 13.841 ( -6.075 20.069 0.000) 20.968 14.603 ( -6.775 -6.465 0.000) 9.365 15.186 ( 1.887 0.235 0.000) 1.902 15.218 ( 4.409 1.374 0.000) 4.618 15.319 ( -7.448 -5.144 0.000) 9.052 15.784 ( -7.309 7.729 0.000) 10.637 16.466 ( 7.230 -5.510 0.000) 9.090 16.480 ( -2.655 0.358 0.000) 2.679 16.774 ( 11.923 -3.258 0.000) 12.360 17.077 ( 14.837 -2.620 0.000) 15.066 17.207 ( -0.807 -1.756 0.000) 1.933 24.532 ( 0.345 0.080 0.000) 0.354 24.730 ( 0.423 1.445 0.000) 1.505 24.743 ( 0.272 2.172 0.000) 2.189 24.980 ( 0.924 -0.766 0.000) 1.200 25.081 ( -0.637 0.072 0.000) 0.641 25.095 ( 1.223 -2.045 0.000) 2.383 25.613 ( -6.132 10.122 0.000) 11.835 25.927 ( -4.681 4.130 0.000) 6.242 27.291 ( -5.747 -0.750 0.000) 5.796 27.513 ( -1.272 -3.508 0.000) 3.731 27.743 ( -6.698 -3.001 0.000) 7.340 27.830 ( -4.088 -1.726 0.000) 4.438 27.850 ( 1.412 3.641 0.000) 3.905 28.219 ( 8.560 3.912 0.000) 9.412 28.504 ( -8.198 0.020 0.000) 8.198 29.477 ( 8.310 -14.600 0.000) 16.799======================= Grid point 12 (9/60) =======================q-point: ( 0.38 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.420 ( 9.443 8.359 0.000) 12.611 1.469 ( -3.595 5.281 0.000) 6.389 1.606 ( 0.061 10.164 0.000) 10.164 1.765 ( 14.599 0.980 0.000) 14.632 2.043 ( 2.174 2.651 0.000) 3.428 2.064 ( 12.018 8.520 0.000) 14.732 2.143 ( 0.668 5.033 0.000) 5.077 2.204 ( -2.424 0.017 0.000) 2.424 2.318 ( 1.496 7.845 0.000) 7.986 2.551 ( -1.577 5.792 0.000) 6.003 2.676 ( -13.795 4.292 0.000) 14.447 2.895 ( -9.889 1.095 0.000) 9.949 3.216 ( 1.531 -1.099 0.000) 1.884 3.243 ( 4.871 3.676 0.000) 6.103 3.448 ( 1.627 -2.680 0.000) 3.136 3.494 ( 2.211 -2.179 0.000) 3.104 3.604 ( 2.176 -3.766 0.000) 4.349 3.650 ( 7.188 -0.677 0.000) 7.219 3.714 ( 1.307 -5.795 0.000) 5.940 3.809 ( 5.775 1.306 0.000) 5.921 3.809 ( 7.546 0.578 0.000) 7.568 3.956 ( 2.047 -4.505 0.000) 4.948 4.026 ( 1.379 0.211 0.000) 1.395 4.087 ( 0.631 2.055 0.000) 2.150 4.280 ( -0.322 -3.116 0.000) 3.133 4.394 ( -5.117 -0.775 0.000) 5.175 4.464 ( 7.102 0.431 0.000) 7.115 4.482 ( 5.040 -0.807 0.000) 5.105 4.568 ( 15.559 4.435 0.000) 16.178 4.792 ( 6.180 5.138 0.000) 8.036 4.907 ( 0.108 1.042 0.000) 1.047 5.002 ( 1.657 0.537 0.000) 1.742 5.201 ( 3.838 -1.665 0.000) 4.184 5.320 ( 5.015 2.873 0.000) 5.779 5.415 ( 14.120 -0.292 0.000) 14.123 5.896 ( 8.327 -8.669 0.000) 12.020 6.774 ( 2.764 3.138 0.000) 4.182 6.979 ( -3.707 -1.628 0.000) 4.049 7.083 ( -1.671 6.341 0.000) 6.557 7.180 ( -0.645 2.684 0.000) 2.760 7.307 ( -5.325 1.049 0.000) 5.427 7.349 ( -3.322 -1.287 0.000) 3.563 7.763 ( 0.247 2.432 0.000) 2.444 7.797 ( -0.659 -2.390 0.000) 2.479 7.860 ( -1.949 -3.661 0.000) 4.148 7.896 ( -0.821 1.695 0.000) 1.883 8.023 ( -1.295 0.997 0.000) 1.634 8.158 ( 0.530 1.217 0.000) 1.328 8.301 ( -1.543 9.661 0.000) 9.783 8.597 ( 2.781 -5.491 0.000) 6.155 8.861 ( -2.263 4.526 0.000) 5.061 9.090 ( -1.216 -8.864 0.000) 8.947 9.319 ( -1.453 -6.821 0.000) 6.974 9.437 ( -1.468 3.442 0.000) 3.742 9.540 ( -11.144 -18.236 0.000) 21.372 10.097 ( 4.308 -0.374 0.000) 4.325 10.127 ( 1.217 1.540 0.000) 1.963 10.398 ( -1.825 2.104 0.000) 2.786 10.640 ( 0.987 3.426 0.000) 3.565 10.663 ( -9.618 -1.386 0.000) 9.718 10.864 ( 0.430 3.609 0.000) 3.634 11.117 ( -6.578 -2.809 0.000) 7.153 11.169 ( 3.604 -22.685 0.000) 22.970 11.533 ( -0.008 -15.711 0.000) 15.711 11.712 ( 0.522 1.688 0.000) 1.767 12.144 ( -4.629 -0.722 0.000) 4.685 12.526 ( -3.325 -2.743 0.000) 4.310 12.870 ( -3.460 22.303 0.000) 22.570 13.415 ( 4.494 -5.047 0.000) 6.758 13.707 ( -6.227 18.837 0.000) 19.840 14.497 ( -3.244 -5.332 0.000) 6.241 15.200 ( 0.256 0.049 0.000) 0.261 15.221 ( -2.236 -4.578 0.000) 5.095 15.313 ( 3.417 0.682 0.000) 3.484 15.628 ( -6.312 9.959 0.000) 11.791 16.429 ( -1.900 1.684 0.000) 2.539 16.572 ( 3.172 -0.528 0.000) 3.215 16.978 ( 6.898 -4.338 0.000) 8.149 17.187 ( -0.753 -1.615 0.000) 1.782 17.324 ( 8.032 -2.843 0.000) 8.520 24.541 ( 0.496 -0.206 0.000) 0.537 24.717 ( -0.796 -1.412 0.000) 1.621 24.766 ( 1.129 4.246 0.000) 4.394 25.005 ( 1.209 -0.487 0.000) 1.303 25.068 ( -0.537 0.137 0.000) 0.554 25.109 ( 0.187 -1.587 0.000) 1.598 25.565 ( 1.104 5.425 0.000) 5.536 25.797 ( -7.298 2.336 0.000) 7.663 27.197 ( -3.056 -0.346 0.000) 3.075 27.490 ( -0.785 -4.713 0.000) 4.778 27.618 ( -4.530 -1.849 0.000) 4.893 27.752 ( -2.874 -2.129 0.000) 3.576 27.871 ( 0.603 5.491 0.000) 5.524 28.352 ( -5.318 4.260 0.000) 6.814 28.366 ( 4.995 2.622 0.000) 5.641 29.601 ( 3.715 -11.992 0.000) 12.554======================= Grid point 13 (10/60) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.435 ( 0.000 4.316 0.000) 4.316 1.516 ( -0.000 12.174 0.000) 12.174 1.611 ( 0.000 4.404 0.000) 4.404 1.919 ( 0.000 -1.720 0.000) 1.720 2.112 ( 0.000 -7.402 0.000) 7.402 2.116 ( -0.000 11.801 0.000) 11.801 2.173 ( 0.000 -0.204 0.000) 0.204 2.301 ( -0.000 8.694 0.000) 8.694 2.343 ( -0.000 8.393 0.000) 8.393 2.422 ( 0.000 5.453 0.000) 5.453 2.568 ( -0.000 -0.899 0.000) 0.899 2.723 ( 0.000 12.090 0.000) 12.090 3.234 ( 0.000 -0.262 0.000) 0.262 3.297 ( -0.000 0.260 0.000) 0.260 3.460 ( 0.000 0.763 0.000) 0.763 3.513 ( 0.000 -7.676 0.000) 7.676 3.627 ( 0.000 -4.341 0.000) 4.341 3.726 ( 0.000 -6.207 0.000) 6.207 3.738 ( -0.000 -0.993 0.000) 0.993 3.824 ( 0.000 5.135 0.000) 5.135 3.955 ( -0.000 2.692 0.000) 2.692 3.984 ( -0.000 -4.255 0.000) 4.255 4.015 ( 0.000 -2.700 0.000) 2.700 4.097 ( -0.000 1.120 0.000) 1.120 4.269 ( 0.000 -2.686 0.000) 2.686 4.299 ( 0.000 1.240 0.000) 1.240 4.536 ( 0.000 -3.509 0.000) 3.509 4.546 ( 0.000 1.419 0.000) 1.419 4.787 ( 0.000 2.729 0.000) 2.729 4.894 ( 0.000 8.358 0.000) 8.358 4.899 ( -0.000 0.409 0.000) 0.409 5.020 ( 0.000 0.946 0.000) 0.946 5.241 ( 0.000 0.289 0.000) 0.289 5.375 ( 0.000 2.453 0.000) 2.453 5.577 ( -0.000 -0.106 0.000) 0.106 5.992 ( 0.000 -8.304 0.000) 8.304 6.835 ( 0.000 1.473 0.000) 1.473 6.901 ( -0.000 -1.486 0.000) 1.486 7.075 ( 0.000 7.714 0.000) 7.714 7.208 ( 0.000 3.781 0.000) 3.781 7.212 ( -0.000 -1.345 0.000) 1.345 7.307 ( 0.000 -1.649 0.000) 1.649 7.768 ( 0.000 1.871 0.000) 1.871 7.791 ( 0.000 -3.535 0.000) 3.535 7.840 ( 0.000 -3.785 0.000) 3.785 7.890 ( 0.000 -0.259 0.000) 0.259 8.000 ( -0.000 1.692 0.000) 1.692 8.168 ( 0.000 2.433 0.000) 2.433 8.285 ( 0.000 9.766 0.000) 9.766 8.628 ( 0.000 -6.764 0.000) 6.764 8.831 ( 0.000 3.639 0.000) 3.639 9.066 ( 0.000 -10.406 0.000) 10.406 9.327 ( 0.000 -7.712 0.000) 7.712 9.378 ( 0.000 -13.071 0.000) 13.071 9.427 ( 0.000 5.535 0.000) 5.535 10.140 ( 0.000 2.319 0.000) 2.319 10.149 ( 0.000 -1.699 0.000) 1.699 10.383 ( 0.000 1.956 0.000) 1.956 10.547 ( -0.000 -0.283 0.000) 0.283 10.656 ( -0.000 5.141 0.000) 5.141 10.863 ( 0.000 1.658 0.000) 1.658 11.046 ( 0.000 -1.501 0.000) 1.501 11.210 ( 0.000 -24.848 0.000) 24.848 11.528 ( 0.000 -15.620 0.000) 15.620 11.718 ( 0.000 1.537 0.000) 1.537 12.098 ( 0.000 -3.303 0.000) 3.303 12.488 ( 0.000 -2.638 0.000) 2.638 12.836 ( 0.000 23.271 0.000) 23.271 13.482 ( 0.000 -8.370 0.000) 8.370 13.618 ( 0.000 21.457 0.000) 21.457 14.463 ( 0.000 -4.884 0.000) 4.884 15.202 ( -0.000 -4.272 0.000) 4.272 15.203 ( 0.000 -0.152 0.000) 0.152 15.349 ( -0.000 0.279 0.000) 0.279 15.555 ( -0.000 10.705 0.000) 10.705 16.408 ( 0.000 2.314 0.000) 2.314 16.605 ( 0.000 0.854 0.000) 0.854 17.053 ( 0.000 -4.615 0.000) 4.615 17.178 ( 0.000 -1.527 0.000) 1.527 17.410 ( 0.000 -2.846 0.000) 2.846 24.548 ( -0.000 -0.327 0.000) 0.327 24.707 ( 0.000 -1.390 0.000) 1.390 24.779 ( 0.000 3.895 0.000) 3.895 25.020 ( -0.000 -0.595 0.000) 0.595 25.062 ( 0.000 0.176 0.000) 0.176 25.109 ( 0.000 -1.236 0.000) 1.236 25.635 ( 0.000 4.333 0.000) 4.333 25.659 ( -0.000 1.583 0.000) 1.583 27.164 ( 0.000 -0.221 0.000) 0.221 27.482 ( 0.000 -5.099 0.000) 5.099 27.568 ( 0.000 -1.411 0.000) 1.411 27.721 ( 0.000 -2.155 0.000) 2.155 27.877 ( -0.000 6.098 0.000) 6.098 28.295 ( 0.000 5.371 0.000) 5.371 28.420 ( 0.000 2.229 0.000) 2.229 29.640 ( 0.000 -11.351 0.000) 11.351======================= Grid point 18 (11/60) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.099 ( 0.000 21.273 0.000) 21.273 1.248 ( 0.000 28.333 0.000) 28.333 1.678 ( 0.000 0.232 0.000) 0.232 1.970 ( 0.000 3.291 0.000) 3.291 2.131 ( 0.000 35.066 0.000) 35.066 2.163 ( 0.000 26.183 0.000) 26.183 2.208 ( 0.000 -2.647 0.000) 2.647 2.311 ( 0.000 7.745 0.000) 7.745 2.467 ( 0.000 12.880 0.000) 12.880 2.687 ( 0.000 -9.156 0.000) 9.156 2.745 ( 0.000 7.309 0.000) 7.309 2.913 ( 0.000 -0.953 0.000) 0.953 2.940 ( 0.000 -0.638 0.000) 0.638 3.130 ( 0.000 -6.282 0.000) 6.282 3.168 ( 0.000 0.861 0.000) 0.861 3.168 ( 0.000 -1.924 0.000) 1.924 3.242 ( 0.000 6.194 0.000) 6.194 3.278 ( 0.000 -6.756 0.000) 6.756 3.544 ( 0.000 -11.241 0.000) 11.241 3.558 ( 0.000 -3.642 0.000) 3.642 3.565 ( 0.000 -10.837 0.000) 10.837 3.714 ( 0.000 0.580 0.000) 0.580 3.767 ( 0.000 -1.800 0.000) 1.800 3.876 ( 0.000 -0.101 0.000) 0.101 4.006 ( 0.000 10.294 0.000) 10.294 4.042 ( 0.000 -2.883 0.000) 2.883 4.076 ( 0.000 2.577 0.000) 2.577 4.163 ( 0.000 1.429 0.000) 1.429 4.467 ( 0.000 -12.291 0.000) 12.291 4.625 ( 0.000 -10.125 0.000) 10.125 4.720 ( 0.000 8.277 0.000) 8.277 4.971 ( 0.000 2.475 0.000) 2.475 5.065 ( 0.000 -5.975 0.000) 5.975 5.157 ( 0.000 -0.617 0.000) 0.617 5.163 ( 0.000 1.207 0.000) 1.207 5.210 ( 0.000 1.397 0.000) 1.397 7.031 ( 0.000 3.653 0.000) 3.653 7.069 ( 0.000 1.736 0.000) 1.736 7.182 ( 0.000 4.364 0.000) 4.364 7.433 ( 0.000 -2.674 0.000) 2.674 7.440 ( 0.000 -1.245 0.000) 1.245 7.725 ( 0.000 -7.197 0.000) 7.197 7.816 ( 0.000 3.072 0.000) 3.072 7.817 ( 0.000 7.400 0.000) 7.400 7.988 ( 0.000 1.889 0.000) 1.889 7.998 ( 0.000 7.999 0.000) 7.999 8.108 ( 0.000 -1.606 0.000) 1.606 8.412 ( 0.000 1.761 0.000) 1.761 8.640 ( 0.000 2.140 0.000) 2.140 8.659 ( 0.000 -10.748 0.000) 10.748 8.791 ( 0.000 -6.751 0.000) 6.751 8.831 ( 0.000 18.264 0.000) 18.264 9.127 ( 0.000 -15.888 0.000) 15.888 9.221 ( 0.000 10.724 0.000) 10.724 9.620 ( 0.000 0.199 0.000) 0.199 9.930 ( 0.000 -6.239 0.000) 6.239 9.962 ( 0.000 -0.960 0.000) 0.960 10.219 ( 0.000 -18.219 0.000) 18.219 10.709 ( 0.000 -0.527 0.000) 0.527 10.732 ( 0.000 1.996 0.000) 1.996 10.849 ( 0.000 -4.811 0.000) 4.811 11.053 ( 0.000 -5.814 0.000) 5.814 11.132 ( 0.000 -12.752 0.000) 12.752 11.350 ( 0.000 -9.946 0.000) 9.946 11.873 ( 0.000 13.243 0.000) 13.243 12.615 ( 0.000 -6.554 0.000) 6.554 13.139 ( 0.000 1.972 0.000) 1.972 13.187 ( 0.000 -1.588 0.000) 1.588 13.621 ( 0.000 19.279 0.000) 19.279 14.428 ( 0.000 21.324 0.000) 21.324 14.655 ( 0.000 -11.741 0.000) 11.741 15.071 ( 0.000 -0.006 0.000) 0.006 15.103 ( 0.000 -2.229 0.000) 2.229 15.434 ( 0.000 -5.411 0.000) 5.411 15.701 ( 0.000 0.218 0.000) 0.218 16.024 ( 0.000 -4.913 0.000) 4.913 16.389 ( 0.000 1.563 0.000) 1.563 16.535 ( 0.000 -1.668 0.000) 1.668 16.679 ( 0.000 8.543 0.000) 8.543 17.158 ( 0.000 -4.399 0.000) 4.399 24.548 ( 0.000 1.544 0.000) 1.544 24.712 ( 0.000 -2.450 0.000) 2.450 24.847 ( 0.000 7.254 0.000) 7.254 24.941 ( 0.000 -1.135 0.000) 1.135 24.988 ( 0.000 -1.463 0.000) 1.463 25.091 ( 0.000 -0.742 0.000) 0.742 26.043 ( 0.000 6.470 0.000) 6.470 26.485 ( 0.000 -4.657 0.000) 4.657 27.463 ( 0.000 -2.359 0.000) 2.359 27.496 ( 0.000 -4.605 0.000) 4.605 27.731 ( 0.000 -1.901 0.000) 1.901 27.852 ( 0.000 8.378 0.000) 8.378 27.879 ( 0.000 -4.491 0.000) 4.491 28.072 ( 0.000 3.580 0.000) 3.580 28.418 ( 0.000 10.728 0.000) 10.728 28.982 ( 0.000 -8.692 0.000) 8.692======================= Grid point 19 (12/60) =======================q-point: ( 0.12 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.190 ( 8.032 18.384 0.000) 20.062 1.414 ( 11.877 22.676 0.000) 25.598 1.709 ( 2.542 0.363 0.000) 2.567 1.978 ( -1.695 1.041 0.000) 1.989 1.996 ( -9.979 6.019 0.000) 11.654 2.160 ( 0.547 25.489 0.000) 25.495 2.258 ( 9.609 28.509 0.000) 30.085 2.366 ( -0.240 4.888 0.000) 4.893 2.477 ( -0.182 8.868 0.000) 8.870 2.668 ( -1.868 -9.372 0.000) 9.557 2.889 ( 0.967 3.171 0.000) 3.315 2.927 ( 12.987 4.728 0.000) 13.821 2.994 ( 4.821 -4.128 0.000) 6.347 3.161 ( 2.836 1.720 0.000) 3.317 3.188 ( 2.511 -5.806 0.000) 6.325 3.201 ( 3.651 2.707 0.000) 4.545 3.309 ( 3.265 0.546 0.000) 3.310 3.322 ( 4.463 -4.928 0.000) 6.649 3.559 ( 0.532 -8.246 0.000) 8.263 3.565 ( 2.274 -6.981 0.000) 7.342 3.679 ( 1.588 0.920 0.000) 1.835 3.716 ( 7.578 -6.109 0.000) 9.734 3.796 ( 4.191 -2.367 0.000) 4.813 3.897 ( 4.075 3.128 0.000) 5.137 4.076 ( 0.741 2.708 0.000) 2.807 4.076 ( 6.237 5.544 0.000) 8.345 4.185 ( 9.407 -2.643 0.000) 9.772 4.216 ( 3.752 0.966 0.000) 3.874 4.540 ( 6.622 -7.662 0.000) 10.127 4.666 ( 4.727 -10.219 0.000) 11.260 4.713 ( -0.974 6.292 0.000) 6.367 4.989 ( 1.676 2.298 0.000) 2.844 5.026 ( -2.077 -3.569 0.000) 4.129 5.026 ( -4.826 3.459 0.000) 5.937 5.201 ( 1.587 0.792 0.000) 1.774 5.353 ( 7.818 -4.963 0.000) 9.260 6.935 ( -5.252 4.849 0.000) 7.148 7.065 ( -1.204 0.294 0.000) 1.239 7.253 ( 3.393 5.188 0.000) 6.199 7.412 ( -1.604 -1.708 0.000) 2.343 7.433 ( -0.688 -0.951 0.000) 1.174 7.590 ( -9.691 2.279 0.000) 9.955 7.806 ( -0.972 0.695 0.000) 1.195 7.858 ( 0.935 0.594 0.000) 1.108 7.964 ( -2.307 6.070 0.000) 6.494 8.001 ( 1.253 1.314 0.000) 1.815 8.076 ( -5.232 -1.087 0.000) 5.344 8.280 ( -9.591 4.877 0.000) 10.760 8.423 ( 0.845 0.560 0.000) 1.014 8.724 ( -3.567 8.070 0.000) 8.823 8.896 ( 3.028 2.279 0.000) 3.790 8.963 ( 6.615 -7.884 0.000) 10.292 9.131 ( 0.299 -15.760 0.000) 15.762 9.290 ( 5.275 2.934 0.000) 6.036 9.587 ( -2.340 1.965 0.000) 3.056 9.971 ( 3.267 -5.840 0.000) 6.691 9.984 ( 1.917 -0.151 0.000) 1.923 10.255 ( 3.123 -17.731 0.000) 18.004 10.645 ( -1.707 0.354 0.000) 1.743 10.810 ( -3.550 -5.920 0.000) 6.903 10.833 ( 4.976 -0.201 0.000) 4.980 10.991 ( -5.763 -5.317 0.000) 7.841 11.102 ( -2.548 -15.332 0.000) 15.543 11.307 ( -4.153 -8.964 0.000) 9.879 11.871 ( -0.191 12.717 0.000) 12.719 12.587 ( -2.532 -6.427 0.000) 6.908 12.914 ( -18.499 7.884 0.000) 20.109 13.176 ( 1.404 -0.786 0.000) 1.609 13.551 ( -5.791 19.646 0.000) 20.482 14.369 ( -4.650 19.626 0.000) 20.169 14.562 ( -7.118 -11.620 0.000) 13.627 15.115 ( 4.406 0.857 0.000) 4.489 15.162 ( 3.449 -1.234 0.000) 3.663 15.353 ( -9.266 -10.241 0.000) 13.811 15.878 ( 13.915 2.563 0.000) 14.149 16.126 ( 7.195 -3.217 0.000) 7.881 16.470 ( 5.690 -0.553 0.000) 5.717 16.537 ( 1.488 -1.064 0.000) 1.829 16.778 ( 9.403 4.284 0.000) 10.333 17.156 ( -0.230 -4.261 0.000) 4.268 24.546 ( -0.163 1.436 0.000) 1.446 24.707 ( -0.453 -2.470 0.000) 2.511 24.851 ( 0.381 6.947 0.000) 6.958 24.946 ( 0.606 -0.698 0.000) 0.924 25.011 ( 1.751 -2.073 0.000) 2.714 25.087 ( -0.350 -0.714 0.000) 0.795 25.989 ( -5.700 6.398 0.000) 8.569 26.250 ( -15.058 4.019 0.000) 15.585 27.391 ( -5.498 -1.680 0.000) 5.749 27.469 ( -2.280 -4.182 0.000) 4.763 27.753 ( -1.138 -4.599 0.000) 4.737 27.837 ( -3.238 -4.543 0.000) 5.579 27.906 ( 3.845 7.490 0.000) 8.419 28.140 ( 5.891 3.073 0.000) 6.645 28.536 ( 6.114 4.294 0.000) 7.471 29.016 ( 4.653 -9.308 0.000) 10.406======================= Grid point 20 (13/60) =======================q-point: ( 0.25 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.399 ( 10.725 12.888 0.000) 16.767 1.628 ( 6.347 10.783 0.000) 12.512 1.758 ( -6.816 8.265 0.000) 10.713 1.763 ( 1.994 1.884 0.000) 2.743 2.022 ( 2.096 2.553 0.000) 3.303 2.213 ( 4.809 23.213 0.000) 23.706 2.299 ( -4.827 1.336 0.000) 5.009 2.398 ( 0.762 16.629 0.000) 16.647 2.470 ( 1.527 9.158 0.000) 9.284 2.621 ( -1.962 -4.369 0.000) 4.789 2.912 ( 1.523 -5.160 0.000) 5.380 2.985 ( -5.462 3.331 0.000) 6.397 3.159 ( 4.370 1.301 0.000) 4.560 3.241 ( 2.120 -8.678 0.000) 8.933 3.286 ( 2.024 3.101 0.000) 3.703 3.386 ( 7.784 -8.628 0.000) 11.620 3.406 ( 14.431 6.561 0.000) 15.852 3.436 ( 5.827 -3.257 0.000) 6.675 3.563 ( 0.445 -1.380 0.000) 1.450 3.660 ( 6.828 3.946 0.000) 7.886 3.724 ( 4.462 -5.598 0.000) 7.159 3.788 ( 1.689 -3.745 0.000) 4.108 4.010 ( 4.677 3.863 0.000) 6.066 4.040 ( 8.139 -3.974 0.000) 9.057 4.159 ( 11.386 4.189 0.000) 12.132 4.258 ( 10.871 1.027 0.000) 10.919 4.276 ( 1.327 0.058 0.000) 1.329 4.365 ( 7.419 0.050 0.000) 7.420 4.652 ( -4.231 4.669 0.000) 6.301 4.691 ( 7.772 -0.981 0.000) 7.834 4.863 ( 11.549 -6.185 0.000) 13.100 4.960 ( -1.639 3.220 0.000) 3.613 5.048 ( 4.219 1.034 0.000) 4.344 5.093 ( 9.915 -1.903 0.000) 10.096 5.257 ( 4.115 0.761 0.000) 4.185 5.511 ( 7.757 -8.658 0.000) 11.625 6.857 ( -1.944 5.008 0.000) 5.372 7.020 ( -3.099 -1.134 0.000) 3.300 7.265 ( -1.552 6.509 0.000) 6.691 7.382 ( -8.918 5.808 0.000) 10.643 7.387 ( -1.172 -0.893 0.000) 1.474 7.405 ( -2.143 0.209 0.000) 2.153 7.768 ( -2.503 -1.539 0.000) 2.938 7.822 ( -3.392 -4.729 0.000) 5.820 7.899 ( -7.221 2.025 0.000) 7.500 7.949 ( -0.922 2.504 0.000) 2.669 8.038 ( 1.692 0.301 0.000) 1.719 8.214 ( -0.462 4.206 0.000) 4.231 8.443 ( 1.192 -0.714 0.000) 1.389 8.661 ( -2.273 11.733 0.000) 11.951 8.920 ( -1.132 -4.659 0.000) 4.794 9.005 ( -0.934 0.008 0.000) 0.934 9.133 ( -0.180 -14.250 0.000) 14.251 9.338 ( -1.454 -4.223 0.000) 4.467 9.552 ( -0.645 5.690 0.000) 5.726 10.040 ( 3.228 1.041 0.000) 3.391 10.044 ( 3.329 -5.151 0.000) 6.133 10.334 ( 3.939 -15.773 0.000) 16.258 10.642 ( 1.121 -0.225 0.000) 1.143 10.709 ( -5.689 -9.869 0.000) 11.391 10.829 ( -8.828 -3.930 0.000) 9.663 10.911 ( 1.884 0.603 0.000) 1.978 11.044 ( -2.458 -21.858 0.000) 21.996 11.184 ( -6.882 -7.067 0.000) 9.864 11.865 ( -0.340 11.483 0.000) 11.488 12.517 ( -3.883 -6.061 0.000) 7.198 12.555 ( -13.971 13.868 0.000) 19.685 13.210 ( 1.483 -6.050 0.000) 6.229 13.423 ( -5.421 20.692 0.000) 21.391 14.252 ( -6.156 18.807 0.000) 19.788 14.419 ( -5.580 -10.780 0.000) 12.138 15.171 ( -6.661 -9.049 0.000) 11.236 15.196 ( 1.652 0.613 0.000) 1.762 15.239 ( 4.586 0.514 0.000) 4.615 15.978 ( -2.568 9.918 0.000) 10.245 16.361 ( 12.050 -4.079 0.000) 12.721 16.495 ( -0.613 1.164 0.000) 1.315 16.691 ( 9.432 -4.346 0.000) 10.385 17.028 ( 12.461 -1.691 0.000) 12.575 17.149 ( -0.416 -3.641 0.000) 3.665 24.543 ( -0.046 1.103 0.000) 1.104 24.693 ( -0.793 -2.490 0.000) 2.613 24.862 ( 0.581 6.201 0.000) 6.228 24.968 ( 1.342 -0.275 0.000) 1.370 25.046 ( 1.424 -2.372 0.000) 2.766 25.077 ( -0.561 -0.635 0.000) 0.847 25.810 ( -8.851 8.021 0.000) 11.945 26.015 ( -8.351 3.136 0.000) 8.920 27.275 ( -4.991 -0.505 0.000) 5.016 27.416 ( -2.448 -5.009 0.000) 5.575 27.673 ( -5.067 -3.076 0.000) 5.928 27.760 ( -3.987 -4.644 0.000) 6.120 27.981 ( 3.054 8.088 0.000) 8.645 28.284 ( 6.902 1.608 0.000) 7.087 28.558 ( -2.638 5.425 0.000) 6.032 29.172 ( 8.017 -13.381 0.000) 15.599======================= Grid point 21 (14/60) =======================q-point: ( 0.38 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.586 ( -3.570 5.627 0.000) 6.664 1.605 ( 8.156 8.606 0.000) 11.857 1.779 ( -0.567 4.860 0.000) 4.893 1.813 ( 5.056 2.939 0.000) 5.849 2.044 ( -0.511 0.632 0.000) 0.813 2.217 ( -1.513 2.674 0.000) 3.073 2.364 ( 9.234 18.603 0.000) 20.769 2.378 ( -1.930 8.524 0.000) 8.740 2.480 ( -0.213 4.170 0.000) 4.176 2.611 ( 0.585 7.440 0.000) 7.463 2.813 ( -10.023 8.941 0.000) 13.431 2.939 ( 0.118 0.178 0.000) 0.214 3.170 ( 0.427 -3.150 0.000) 3.178 3.273 ( 0.963 -10.444 0.000) 10.488 3.301 ( -0.902 -1.009 0.000) 1.353 3.490 ( 3.028 -7.416 0.000) 8.010 3.533 ( 0.745 3.007 0.000) 3.098 3.544 ( 1.620 -5.278 0.000) 5.521 3.656 ( 5.576 0.215 0.000) 5.580 3.785 ( 1.425 -11.590 0.000) 11.677 3.857 ( 10.126 5.302 0.000) 11.430 3.876 ( 5.026 3.640 0.000) 6.206 4.066 ( 0.597 2.266 0.000) 2.343 4.106 ( 1.291 -0.191 0.000) 1.305 4.257 ( -1.414 0.450 0.000) 1.484 4.352 ( -0.879 -2.808 0.000) 2.942 4.472 ( 6.117 0.647 0.000) 6.151 4.481 ( 4.635 0.677 0.000) 4.684 4.716 ( 12.482 9.610 0.000) 15.753 4.885 ( 7.519 3.205 0.000) 8.174 4.953 ( 2.357 3.062 0.000) 3.864 5.017 ( 3.348 1.211 0.000) 3.560 5.165 ( 5.776 -1.606 0.000) 5.995 5.369 ( 12.985 -4.855 0.000) 13.863 5.374 ( 5.873 1.972 0.000) 6.195 5.698 ( 9.050 -9.222 0.000) 12.921 6.846 ( 0.580 3.346 0.000) 3.396 6.938 ( -4.225 -1.510 0.000) 4.486 7.239 ( -4.485 2.738 0.000) 5.255 7.242 ( 0.025 5.726 0.000) 5.726 7.339 ( -3.171 1.023 0.000) 3.332 7.340 ( -3.614 2.226 0.000) 4.245 7.718 ( -1.896 -2.291 0.000) 2.974 7.758 ( -2.200 -5.587 0.000) 6.004 7.779 ( -3.598 -4.605 0.000) 5.844 7.938 ( -0.569 5.646 0.000) 5.675 8.045 ( -1.032 0.090 0.000) 1.035 8.208 ( -0.159 2.784 0.000) 2.789 8.475 ( 1.552 -1.589 0.000) 2.221 8.632 ( -0.385 15.538 0.000) 15.543 8.862 ( -3.533 -9.170 0.000) 9.827 8.942 ( -4.682 -1.199 0.000) 4.833 9.125 ( -0.440 -11.966 0.000) 11.974 9.276 ( -2.742 1.722 0.000) 3.238 9.552 ( 0.295 7.147 0.000) 7.153 10.101 ( 1.848 -4.701 0.000) 5.051 10.106 ( 2.611 0.422 0.000) 2.645 10.405 ( 2.436 -8.508 0.000) 8.850 10.592 ( -4.555 -13.580 0.000) 14.323 10.660 ( -6.275 -7.799 0.000) 10.010 10.690 ( 3.434 -0.007 0.000) 3.434 10.892 ( -3.685 -0.164 0.000) 3.689 11.013 ( -0.768 -25.726 0.000) 25.738 11.060 ( -3.662 -4.277 0.000) 5.631 11.859 ( -0.139 10.207 0.000) 10.208 12.336 ( -6.853 14.583 0.000) 16.112 12.439 ( -3.016 -5.559 0.000) 6.324 13.236 ( 0.963 -11.183 0.000) 11.224 13.341 ( -2.348 21.600 0.000) 21.728 14.129 ( -4.885 19.930 0.000) 20.520 14.336 ( -2.383 -9.867 0.000) 10.151 15.081 ( -2.163 -8.900 0.000) 9.159 15.209 ( 0.064 0.929 0.000) 0.931 15.319 ( 2.522 -0.388 0.000) 2.551 15.895 ( -3.863 14.622 0.000) 15.123 16.485 ( -0.277 3.665 0.000) 3.676 16.548 ( 5.630 -2.295 0.000) 6.080 16.860 ( 5.922 -6.606 0.000) 8.872 17.140 ( -0.244 -2.399 0.000) 2.411 17.248 ( 7.504 -4.154 0.000) 8.578 24.544 ( 0.162 0.653 0.000) 0.672 24.676 ( -0.740 -2.421 0.000) 2.532 24.873 ( 0.453 5.415 0.000) 5.433 24.996 ( 1.132 -0.209 0.000) 1.151 25.066 ( -0.456 -0.530 0.000) 0.699 25.068 ( 0.674 -2.090 0.000) 2.196 25.689 ( -2.257 5.750 0.000) 6.177 25.847 ( -7.599 1.748 0.000) 7.798 27.192 ( -2.719 0.115 0.000) 2.721 27.374 ( -1.397 -5.733 0.000) 5.900 27.577 ( -3.504 -1.648 0.000) 3.872 27.686 ( -2.599 -3.915 0.000) 4.699 28.031 ( 1.601 9.157 0.000) 9.296 28.405 ( 4.137 0.361 0.000) 4.153 28.491 ( -2.801 8.957 0.000) 9.385 29.301 ( 4.001 -15.355 0.000) 15.867======================= Grid point 22 (15/60) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.550 ( 0.000 6.177 0.000) 6.177 1.721 ( -0.000 5.487 0.000) 5.487 1.744 ( 0.000 7.832 0.000) 7.832 1.871 ( 0.000 -2.934 0.000) 2.934 2.028 ( 0.000 -0.479 0.000) 0.479 2.217 ( 0.000 5.353 0.000) 5.353 2.345 ( -0.000 2.780 0.000) 2.780 2.482 ( -0.000 5.169 0.000) 5.169 2.575 ( -0.000 8.821 0.000) 8.821 2.594 ( 0.000 18.754 0.000) 18.754 2.619 ( -0.000 10.026 0.000) 10.026 2.928 ( 0.000 6.732 0.000) 6.732 3.202 ( 0.000 -3.343 0.000) 3.343 3.268 ( -0.000 -6.634 0.000) 6.634 3.283 ( 0.000 -11.092 0.000) 11.092 3.535 ( 0.000 -3.675 0.000) 3.675 3.538 ( -0.000 -6.448 0.000) 6.448 3.540 ( 0.000 3.773 0.000) 3.773 3.712 ( -0.000 -1.560 0.000) 1.560 3.809 ( 0.000 -12.385 0.000) 12.385 3.931 ( 0.000 5.075 0.000) 5.075 4.009 ( 0.000 2.362 0.000) 2.362 4.034 ( 0.000 2.710 0.000) 2.710 4.118 ( 0.000 0.486 0.000) 0.486 4.237 ( 0.000 -0.121 0.000) 0.121 4.312 ( 0.000 -0.235 0.000) 0.235 4.506 ( 0.000 0.374 0.000) 0.374 4.555 ( 0.000 -0.228 0.000) 0.228 4.893 ( 0.000 7.529 0.000) 7.529 4.925 ( 0.000 1.982 0.000) 1.982 5.025 ( 0.000 3.260 0.000) 3.260 5.050 ( 0.000 2.133 0.000) 2.133 5.244 ( -0.000 -0.366 0.000) 0.366 5.449 ( 0.000 4.541 0.000) 4.541 5.524 ( -0.000 -5.711 0.000) 5.711 5.807 ( 0.000 -8.136 0.000) 8.136 6.862 ( 0.000 1.202 0.000) 1.202 6.878 ( -0.000 -0.361 0.000) 0.361 7.193 ( 0.000 -0.023 0.000) 0.023 7.268 ( 0.000 8.058 0.000) 8.058 7.276 ( 0.000 -1.016 0.000) 1.016 7.293 ( -0.000 3.514 0.000) 3.514 7.697 ( 0.000 -2.533 0.000) 2.533 7.737 ( 0.000 -5.555 0.000) 5.555 7.741 ( -0.000 -6.353 0.000) 6.353 7.930 ( 0.000 5.911 0.000) 5.911 8.026 ( 0.000 0.188 0.000) 0.188 8.209 ( 0.000 1.083 0.000) 1.083 8.493 ( 0.000 -2.395 0.000) 2.395 8.633 ( 0.000 20.232 0.000) 20.232 8.816 ( 0.000 -12.785 0.000) 12.785 8.872 ( 0.000 -2.198 0.000) 2.198 9.120 ( 0.000 -11.101 0.000) 11.101 9.249 ( 0.000 5.874 0.000) 5.874 9.556 ( 0.000 7.070 0.000) 7.070 10.120 ( 0.000 -4.845 0.000) 4.845 10.135 ( 0.000 -0.299 0.000) 0.299 10.427 ( 0.000 -0.325 0.000) 0.325 10.553 ( 0.000 0.681 0.000) 0.681 10.583 ( -0.000 -29.865 0.000) 29.865 10.768 ( -0.000 5.008 0.000) 5.008 10.805 ( 0.000 -6.524 0.000) 6.524 11.001 ( 0.000 -27.900 0.000) 27.900 11.031 ( 0.000 -0.879 0.000) 0.879 11.858 ( 0.000 9.625 0.000) 9.625 12.264 ( 0.000 14.409 0.000) 14.409 12.405 ( 0.000 -5.292 0.000) 5.292 13.247 ( 0.000 -13.518 0.000) 13.518 13.318 ( 0.000 21.892 0.000) 21.892 14.073 ( 0.000 20.982 0.000) 20.982 14.312 ( 0.000 -9.481 0.000) 9.481 15.062 ( -0.000 -9.213 0.000) 9.213 15.208 ( 0.000 0.913 0.000) 0.913 15.345 ( -0.000 -0.989 0.000) 0.989 15.850 ( -0.000 16.409 0.000) 16.409 16.482 ( 0.000 4.770 0.000) 4.770 16.606 ( 0.000 -1.798 0.000) 1.798 16.924 ( 0.000 -7.275 0.000) 7.275 17.138 ( 0.000 -1.678 0.000) 1.678 17.329 ( 0.000 -4.689 0.000) 4.689 24.547 ( -0.000 0.420 0.000) 0.420 24.667 ( 0.000 -2.347 0.000) 2.347 24.879 ( 0.000 5.066 0.000) 5.066 25.009 ( -0.000 -0.315 0.000) 0.315 25.060 ( 0.000 -0.475 0.000) 0.475 25.075 ( 0.000 -1.848 0.000) 1.848 25.702 ( 0.000 2.372 0.000) 2.372 25.726 ( -0.000 3.592 0.000) 3.592 27.163 ( 0.000 0.321 0.000) 0.321 27.359 ( 0.000 -5.978 0.000) 5.978 27.539 ( 0.000 -1.056 0.000) 1.056 27.658 ( 0.000 -3.618 0.000) 3.618 28.048 ( -0.000 9.593 0.000) 9.593 28.449 ( 0.000 -0.089 0.000) 0.089 28.460 ( 0.000 10.190 0.000) 10.190 29.343 ( 0.000 -15.847 0.000) 15.847======================= Grid point 27 (16/60) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 0.000 12.912 0.000) 12.912 1.639 ( 0.000 -4.643 0.000) 4.643 1.797 ( 0.000 23.110 0.000) 23.110 2.054 ( 0.000 5.562 0.000) 5.562 2.100 ( 0.000 -6.862 0.000) 6.862 2.288 ( 0.000 -14.075 0.000) 14.075 2.500 ( 0.000 9.321 0.000) 9.321 2.623 ( 0.000 0.219 0.000) 0.219 2.663 ( 0.000 20.558 0.000) 20.558 2.816 ( 0.000 10.432 0.000) 10.432 2.870 ( 0.000 2.715 0.000) 2.715 2.887 ( 0.000 -1.797 0.000) 1.797 2.909 ( 0.000 4.615 0.000) 4.615 3.027 ( 0.000 -3.229 0.000) 3.229 3.087 ( 0.000 -7.989 0.000) 7.989 3.112 ( 0.000 -9.102 0.000) 9.102 3.201 ( 0.000 3.315 0.000) 3.315 3.330 ( 0.000 -8.747 0.000) 8.747 3.373 ( 0.000 -3.057 0.000) 3.057 3.441 ( 0.000 -6.383 0.000) 6.383 3.560 ( 0.000 22.203 0.000) 22.203 3.726 ( 0.000 0.619 0.000) 0.619 3.741 ( 0.000 -0.860 0.000) 0.860 3.910 ( 0.000 3.494 0.000) 3.494 3.948 ( 0.000 -7.526 0.000) 7.526 4.100 ( 0.000 -19.244 0.000) 19.244 4.140 ( 0.000 2.872 0.000) 2.872 4.178 ( 0.000 -0.508 0.000) 0.508 4.233 ( 0.000 10.845 0.000) 10.845 4.442 ( 0.000 -8.924 0.000) 8.924 4.871 ( 0.000 5.839 0.000) 5.839 4.967 ( 0.000 -3.873 0.000) 3.873 5.040 ( 0.000 3.844 0.000) 3.844 5.117 ( 0.000 -3.091 0.000) 3.091 5.194 ( 0.000 1.607 0.000) 1.607 5.219 ( 0.000 -0.561 0.000) 0.561 7.083 ( 0.000 1.395 0.000) 1.395 7.091 ( 0.000 0.484 0.000) 0.484 7.277 ( 0.000 4.250 0.000) 4.250 7.361 ( 0.000 -3.873 0.000) 3.873 7.458 ( 0.000 3.207 0.000) 3.207 7.570 ( 0.000 -6.999 0.000) 6.999 7.903 ( 0.000 4.932 0.000) 4.932 7.960 ( 0.000 5.895 0.000) 5.895 7.988 ( 0.000 -2.320 0.000) 2.320 8.058 ( 0.000 -3.414 0.000) 3.414 8.177 ( 0.000 9.440 0.000) 9.440 8.405 ( 0.000 -12.314 0.000) 12.314 8.477 ( 0.000 4.818 0.000) 4.818 8.621 ( 0.000 -8.547 0.000) 8.547 8.715 ( 0.000 5.145 0.000) 5.145 8.863 ( 0.000 -9.387 0.000) 9.387 9.272 ( 0.000 23.126 0.000) 23.126 9.513 ( 0.000 16.379 0.000) 16.379 9.659 ( 0.000 2.496 0.000) 2.496 9.779 ( 0.000 -21.695 0.000) 21.695 9.790 ( 0.000 -6.684 0.000) 6.684 9.835 ( 0.000 -12.100 0.000) 12.100 10.702 ( 0.000 0.099 0.000) 0.099 10.727 ( 0.000 -2.150 0.000) 2.150 10.830 ( 0.000 2.582 0.000) 2.582 10.926 ( 0.000 -5.890 0.000) 5.890 11.003 ( 0.000 2.062 0.000) 2.062 11.141 ( 0.000 -9.334 0.000) 9.334 12.171 ( 0.000 14.172 0.000) 14.172 12.435 ( 0.000 -10.709 0.000) 10.709 13.168 ( 0.000 0.795 0.000) 0.795 13.175 ( 0.000 -0.092 0.000) 0.092 14.015 ( 0.000 18.004 0.000) 18.004 14.367 ( 0.000 -15.503 0.000) 15.503 14.856 ( 0.000 19.163 0.000) 19.163 15.068 ( 0.000 -0.208 0.000) 0.208 15.071 ( 0.000 -0.721 0.000) 0.721 15.213 ( 0.000 -14.540 0.000) 14.540 15.776 ( 0.000 5.694 0.000) 5.694 15.905 ( 0.000 -6.234 0.000) 6.234 16.434 ( 0.000 2.607 0.000) 2.607 16.490 ( 0.000 -2.559 0.000) 2.559 16.867 ( 0.000 8.955 0.000) 8.955 17.038 ( 0.000 -7.090 0.000) 7.090 24.592 ( 0.000 2.649 0.000) 2.649 24.653 ( 0.000 -3.011 0.000) 3.011 24.934 ( 0.000 0.458 0.000) 0.458 24.956 ( 0.000 -1.434 0.000) 1.434 24.979 ( 0.000 5.115 0.000) 5.115 25.058 ( 0.000 -2.522 0.000) 2.522 26.194 ( 0.000 7.789 0.000) 7.789 26.356 ( 0.000 -7.335 0.000) 7.335 27.425 ( 0.000 -1.003 0.000) 1.003 27.431 ( 0.000 -1.637 0.000) 1.637 27.728 ( 0.000 1.491 0.000) 1.491 27.787 ( 0.000 -3.914 0.000) 3.914 28.012 ( 0.000 6.311 0.000) 6.311 28.096 ( 0.000 -1.456 0.000) 1.456 28.626 ( 0.000 9.096 0.000) 9.096 28.805 ( 0.000 -8.252 0.000) 8.252======================= Grid point 28 (17/60) =======================q-point: ( 0.12 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.510 ( 4.501 11.673 0.000) 12.511 1.674 ( 3.032 -4.281 0.000) 5.245 1.848 ( 2.184 16.246 0.000) 16.392 1.991 ( -5.951 -0.462 0.000) 5.969 2.098 ( 1.253 5.806 0.000) 5.940 2.344 ( 1.754 -12.591 0.000) 12.712 2.487 ( -0.011 5.462 0.000) 5.462 2.596 ( -1.856 -0.069 0.000) 1.857 2.651 ( -0.137 20.296 0.000) 20.297 2.758 ( -2.112 10.142 0.000) 10.359 2.822 ( -2.653 -2.163 0.000) 3.423 2.948 ( 3.302 -6.327 0.000) 7.136 3.019 ( 6.514 3.284 0.000) 7.294 3.085 ( 4.870 1.171 0.000) 5.008 3.142 ( 1.202 -7.396 0.000) 7.493 3.203 ( 10.136 -5.061 0.000) 11.329 3.239 ( 3.775 1.210 0.000) 3.964 3.317 ( 0.375 -5.506 0.000) 5.518 3.412 ( 4.380 1.441 0.000) 4.611 3.557 ( 9.764 -8.419 0.000) 12.893 3.672 ( 8.490 16.504 0.000) 18.559 3.710 ( -0.567 1.495 0.000) 1.599 3.746 ( 1.397 -2.072 0.000) 2.499 3.946 ( 3.089 -4.522 0.000) 5.476 4.068 ( 11.039 2.235 0.000) 11.263 4.155 ( 1.866 3.888 0.000) 4.313 4.215 ( 2.861 -1.535 0.000) 3.247 4.258 ( 7.918 -4.765 0.000) 9.242 4.320 ( 12.834 0.061 0.000) 12.834 4.487 ( 4.611 -8.180 0.000) 9.391 4.844 ( -2.335 6.157 0.000) 6.585 4.954 ( -0.511 -4.054 0.000) 4.086 5.048 ( 0.656 2.989 0.000) 3.060 5.080 ( -2.305 0.847 0.000) 2.456 5.208 ( 1.380 0.819 0.000) 1.605 5.261 ( 3.230 -3.829 0.000) 5.010 7.020 ( -4.078 3.067 0.000) 5.103 7.060 ( -2.678 -0.877 0.000) 2.818 7.332 ( 3.100 2.291 0.000) 3.855 7.372 ( 0.279 -1.938 0.000) 1.958 7.453 ( -0.512 2.980 0.000) 3.024 7.545 ( -2.340 -4.894 0.000) 5.424 7.876 ( -2.008 5.631 0.000) 5.979 7.915 ( -5.737 4.111 0.000) 7.058 7.984 ( -0.084 -3.337 0.000) 3.338 7.994 ( -6.087 -2.954 0.000) 6.766 8.142 ( -2.624 7.149 0.000) 7.615 8.286 ( -5.335 -4.830 0.000) 7.196 8.467 ( -0.665 4.146 0.000) 4.199 8.609 ( -1.063 -9.038 0.000) 9.100 8.811 ( 5.158 -1.528 0.000) 5.380 8.894 ( 2.478 -7.860 0.000) 8.241 9.261 ( -0.941 23.400 0.000) 23.419 9.536 ( 1.642 16.677 0.000) 16.758 9.678 ( 1.523 5.521 0.000) 5.727 9.759 ( 0.435 -19.066 0.000) 19.070 9.861 ( 3.938 -12.186 0.000) 12.806 9.870 ( 2.926 -12.210 0.000) 12.556 10.656 ( -2.579 0.905 0.000) 2.733 10.719 ( -2.010 -6.414 0.000) 6.722 10.786 ( -4.078 2.480 0.000) 4.773 10.875 ( -4.678 -5.383 0.000) 7.132 10.994 ( -0.695 3.114 0.000) 3.190 11.120 ( -2.133 -8.152 0.000) 8.427 12.158 ( -1.253 13.623 0.000) 13.680 12.412 ( -2.106 -10.380 0.000) 10.591 13.050 ( -9.733 5.309 0.000) 11.087 13.138 ( -3.402 -3.022 0.000) 4.550 13.945 ( -5.628 17.660 0.000) 18.535 14.285 ( -6.321 -14.785 0.000) 16.079 14.762 ( -6.769 17.707 0.000) 18.957 15.098 ( -8.399 -14.189 0.000) 16.488 15.127 ( 4.835 0.373 0.000) 4.850 15.138 ( 4.752 -0.819 0.000) 4.822 15.956 ( 13.692 4.526 0.000) 14.421 16.051 ( 10.275 -4.222 0.000) 11.109 16.476 ( 3.451 1.082 0.000) 3.616 16.507 ( 2.019 -1.632 0.000) 2.596 16.900 ( 3.434 6.863 0.000) 7.674 17.043 ( 0.597 -6.391 0.000) 6.418 24.588 ( -0.349 2.580 0.000) 2.603 24.648 ( -0.447 -2.991 0.000) 3.025 24.945 ( 1.009 0.650 0.000) 1.200 24.971 ( 1.265 -1.662 0.000) 2.088 24.979 ( -0.065 4.956 0.000) 4.956 25.055 ( -0.268 -2.460 0.000) 2.474 26.126 ( -6.310 6.437 0.000) 9.013 26.240 ( -9.455 -3.864 0.000) 10.214 27.372 ( -4.166 -0.006 0.000) 4.166 27.397 ( -3.049 -2.428 0.000) 3.898 27.705 ( -2.334 0.013 0.000) 2.334 27.746 ( -3.418 -3.588 0.000) 4.955 28.061 ( 3.979 6.497 0.000) 7.618 28.153 ( 4.815 -1.968 0.000) 5.202 28.673 ( 3.161 7.670 0.000) 8.296 28.837 ( 3.125 -8.021 0.000) 8.608======================= Grid point 29 (18/60) =======================q-point: ( 0.25 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 87Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( 6.421 8.687 0.000) 10.802 1.752 ( 3.898 -2.949 0.000) 4.887 1.811 ( -5.409 6.399 0.000) 8.379 1.873 ( -3.588 1.044 0.000) 3.737 2.132 ( 0.599 7.956 0.000) 7.979 2.293 ( -4.073 -4.423 0.000) 6.013 2.472 ( -2.530 1.561 0.000) 2.973 2.589 ( 0.878 -2.565 0.000) 2.711 2.671 ( 2.049 19.062 0.000) 19.172 2.776 ( 3.124 10.654 0.000) 11.103 2.823 ( 2.443 1.587 0.000) 2.913 2.981 ( 0.523 -9.853 0.000) 9.867 3.093 ( 0.082 -4.482 0.000) 4.483 3.151 ( 0.858 6.642 0.000) 6.698 3.169 ( 0.502 -9.871 0.000) 9.884 3.340 ( 5.737 2.078 0.000) 6.102 3.381 ( 5.394 -12.421 0.000) 13.542 3.389 ( 5.601 -2.327 0.000) 6.065 3.560 ( 5.901 5.544 0.000) 8.097 3.641 ( -0.541 -2.317 0.000) 2.379 3.794 ( 8.558 3.444 0.000) 9.225 3.850 ( 7.604 10.387 0.000) 12.873 3.914 ( 11.574 -7.023 0.000) 13.538 4.016 ( 3.232 -4.623 0.000) 5.641 4.229 ( 5.044 2.725 0.000) 5.733 4.272 ( 1.789 -1.146 0.000) 2.125 4.336 ( 11.257 6.424 0.000) 12.961 4.398 ( 6.467 1.586 0.000) 6.659 4.657 ( 14.501 -1.298 0.000) 14.558 4.715 ( 18.164 -6.772 0.000) 19.385 4.811 ( 1.125 9.671 0.000) 9.737 4.999 ( 6.129 -7.200 0.000) 9.456 5.037 ( -0.774 3.542 0.000) 3.625 5.074 ( 1.357 0.486 0.000) 1.441 5.266 ( 4.605 1.203 0.000) 4.760 5.349 ( 5.552 -6.479 0.000) 8.532 6.946 ( -2.815 3.283 0.000) 4.325 6.994 ( -3.434 -1.518 0.000) 3.755 7.340 ( -2.214 1.415 0.000) 2.627 7.369 ( -0.657 -1.290 0.000) 1.448 7.430 ( -2.304 2.359 0.000) 3.298 7.464 ( -5.418 0.781 0.000) 5.474 7.748 ( -7.406 -0.793 0.000) 7.449 7.807 ( -9.982 -5.333 0.000) 11.317 7.837 ( -1.509 7.686 0.000) 7.833 7.992 ( 0.653 -5.227 0.000) 5.268 8.111 ( -0.425 8.275 0.000) 8.286 8.243 ( -0.583 -2.942 0.000) 2.999 8.458 ( -0.055 2.858 0.000) 2.858 8.584 ( -1.063 -9.041 0.000) 9.103 8.874 ( 0.889 -3.118 0.000) 3.242 8.934 ( 0.491 -6.802 0.000) 6.819 9.233 ( -1.760 25.116 0.000) 25.177 9.559 ( 0.438 18.656 0.000) 18.661 9.708 ( 0.935 6.466 0.000) 6.533 9.793 ( 2.580 -21.805 0.000) 21.957 9.931 ( 2.380 -12.293 0.000) 12.521 9.938 ( 3.109 -13.390 0.000) 13.746 10.620 ( -0.839 -1.395 0.000) 1.628 10.658 ( -2.880 -8.235 0.000) 8.724 10.673 ( -6.098 2.463 0.000) 6.576 10.746 ( -6.977 -3.978 0.000) 8.032 10.972 ( -1.586 2.515 0.000) 2.974 11.053 ( -3.803 -5.259 0.000) 6.490 12.123 ( -1.859 12.271 0.000) 12.411 12.354 ( -3.155 -9.514 0.000) 10.023 12.828 ( -10.004 11.917 0.000) 15.560 13.050 ( -4.446 -9.188 0.000) 10.208 13.826 ( -4.803 17.619 0.000) 18.262 14.158 ( -4.892 -14.149 0.000) 14.970 14.624 ( -5.954 16.622 0.000) 17.656 14.938 ( -6.092 -13.180 0.000) 14.520 15.213 ( 2.597 1.065 0.000) 2.806 15.235 ( 3.964 -0.827 0.000) 4.049 16.166 ( 4.511 7.482 0.000) 8.736 16.283 ( 10.755 -4.033 0.000) 11.486 16.534 ( 2.425 2.616 0.000) 3.567 16.603 ( 5.946 -3.875 0.000) 7.098 17.018 ( 7.222 0.941 0.000) 7.283 17.068 ( 1.846 -3.590 0.000) 4.037 24.579 ( -0.442 2.334 0.000) 2.375 24.636 ( -0.701 -2.885 0.000) 2.969 24.973 ( 1.475 0.823 0.000) 1.689 24.977 ( -0.087 4.539 0.000) 4.540 25.001 ( 1.466 -1.822 0.000) 2.339 25.048 ( -0.418 -2.286 0.000) 2.324 25.950 ( -9.142 5.433 0.000) 10.635 26.030 ( -9.588 -1.815 0.000) 9.759 27.279 ( -4.124 1.063 0.000) 4.259 27.325 ( -3.291 -3.372 0.000) 4.712 27.635 ( -3.828 -0.250 0.000) 3.836 27.668 ( -3.540 -3.375 0.000) 4.891 28.152 ( 4.155 7.464 0.000) 8.543 28.268 ( 5.451 -3.277 0.000) 6.360 28.715 ( 0.712 9.044 0.000) 9.072 28.923 ( 4.176 -10.737 0.000) 11.520======================= Grid point 30 (19/60) =======================q-point: ( 0.38 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( -3.199 6.106 0.000) 6.893 1.755 ( 4.847 5.354 0.000) 7.222 1.815 ( -2.090 -3.082 0.000) 3.723 1.819 ( 2.111 -0.671 0.000) 2.216 2.107 ( -2.185 5.066 0.000) 5.517 2.237 ( -1.278 -5.662 0.000) 5.804 2.424 ( -1.454 8.651 0.000) 8.773 2.600 ( 0.168 -1.738 0.000) 1.746 2.732 ( 3.341 14.998 0.000) 15.366 2.837 ( 1.879 10.493 0.000) 10.660 2.903 ( 4.922 0.521 0.000) 4.950 2.978 ( -0.884 -4.791 0.000) 4.872 3.078 ( -0.940 -4.990 0.000) 5.078 3.136 ( -1.557 8.907 0.000) 9.042 3.139 ( -2.864 -10.154 0.000) 10.550 3.446 ( 3.824 1.575 0.000) 4.135 3.461 ( 2.262 -15.816 0.000) 15.977 3.486 ( 2.678 -1.907 0.000) 3.288 3.611 ( 0.502 1.965 0.000) 2.028 3.651 ( 1.742 -1.366 0.000) 2.214 3.971 ( 6.003 5.146 0.000) 7.907 3.982 ( 4.996 5.677 0.000) 7.562 4.069 ( 3.628 -3.557 0.000) 5.081 4.070 ( 1.470 -2.277 0.000) 2.711 4.273 ( -1.181 0.974 0.000) 1.531 4.301 ( 0.334 -1.811 0.000) 1.842 4.497 ( 4.206 1.272 0.000) 4.394 4.502 ( 3.564 0.826 0.000) 3.659 4.938 ( 6.693 2.202 0.000) 7.046 4.953 ( 10.620 12.448 0.000) 16.363 4.977 ( 5.476 -1.074 0.000) 5.580 5.074 ( 3.850 3.648 0.000) 5.304 5.134 ( 5.121 -1.815 0.000) 5.434 5.204 ( 10.927 -10.621 0.000) 15.238 5.418 ( 9.447 3.249 0.000) 9.990 5.529 ( 10.795 -6.945 0.000) 12.837 6.900 ( -1.559 1.700 0.000) 2.307 6.921 ( -3.152 -0.502 0.000) 3.192 7.291 ( -1.873 1.336 0.000) 2.301 7.306 ( -6.621 3.966 0.000) 7.718 7.334 ( -1.984 -2.410 0.000) 3.121 7.371 ( -4.323 -0.625 0.000) 4.368 7.642 ( -3.632 -4.043 0.000) 5.435 7.656 ( -3.048 -4.294 0.000) 5.266 7.811 ( -1.049 9.691 0.000) 9.748 7.993 ( -0.741 -5.817 0.000) 5.864 8.099 ( -0.831 8.047 0.000) 8.089 8.221 ( -1.568 -2.597 0.000) 3.034 8.464 ( 0.397 1.680 0.000) 1.727 8.572 ( -0.071 -8.837 0.000) 8.837 8.856 ( -2.121 -1.770 0.000) 2.763 8.920 ( -0.966 -7.082 0.000) 7.148 9.193 ( -1.771 27.980 0.000) 28.036 9.563 ( 0.072 20.539 0.000) 20.539 9.711 ( -0.469 2.442 0.000) 2.487 9.854 ( 2.756 -22.596 0.000) 22.763 9.959 ( 0.414 -11.140 0.000) 11.148 9.989 ( 1.561 -15.490 0.000) 15.569 10.557 ( -4.262 2.674 0.000) 5.031 10.596 ( -1.208 -5.523 0.000) 5.654 10.610 ( -5.145 -2.151 0.000) 5.577 10.637 ( 0.529 -6.340 0.000) 6.362 10.920 ( -2.960 2.976 0.000) 4.198 10.993 ( -1.461 -3.544 0.000) 3.833 12.087 ( -1.317 10.832 0.000) 10.912 12.292 ( -2.358 -8.508 0.000) 8.829 12.659 ( -5.698 15.455 0.000) 16.472 12.969 ( -2.876 -13.998 0.000) 14.290 13.756 ( -1.967 17.875 0.000) 17.983 14.088 ( -1.935 -13.882 0.000) 14.016 14.521 ( -3.598 17.346 0.000) 17.715 14.846 ( -2.749 -13.534 0.000) 13.810 15.242 ( 0.474 2.212 0.000) 2.262 15.291 ( 1.421 -2.122 0.000) 2.554 16.202 ( 0.105 13.922 0.000) 13.922 16.443 ( 4.363 -8.389 0.000) 9.456 16.583 ( 1.968 5.683 0.000) 6.014 16.716 ( 4.190 -6.844 0.000) 8.025 17.115 ( 2.205 0.562 0.000) 2.275 17.163 ( 5.541 -3.605 0.000) 6.610 24.572 ( -0.248 1.940 0.000) 1.956 24.621 ( -0.566 -2.656 0.000) 2.716 24.975 ( -0.060 4.078 0.000) 4.078 25.001 ( 1.023 0.757 0.000) 1.273 25.027 ( 0.912 -1.698 0.000) 1.928 25.040 ( -0.328 -2.079 0.000) 2.104 25.793 ( -4.974 4.081 0.000) 6.434 25.852 ( -6.813 -1.367 0.000) 6.949 27.210 ( -2.289 1.717 0.000) 2.861 27.269 ( -1.850 -4.015 0.000) 4.421 27.564 ( -2.520 0.623 0.000) 2.595 27.606 ( -2.162 -3.237 0.000) 3.893 28.223 ( 2.405 8.533 0.000) 8.865 28.363 ( 3.256 -4.472 0.000) 5.532 28.715 ( -0.391 12.139 0.000) 12.145 28.990 ( 2.092 -14.098 0.000) 14.253======================= Grid point 31 (20/60) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.679 ( 0.000 5.935 0.000) 5.935 1.791 ( 0.000 -4.676 0.000) 4.676 1.815 ( -0.000 3.056 0.000) 3.056 1.836 ( 0.000 1.366 0.000) 1.366 2.079 ( 0.000 5.028 0.000) 5.028 2.224 ( 0.000 -8.232 0.000) 8.232 2.411 ( 0.000 12.261 0.000) 12.261 2.601 ( 0.000 -1.035 0.000) 1.035 2.779 ( 0.000 10.493 0.000) 10.493 2.855 ( 0.000 10.592 0.000) 10.592 2.958 ( 0.000 2.870 0.000) 2.870 2.987 ( -0.000 -1.198 0.000) 1.198 3.056 ( -0.000 -6.969 0.000) 6.969 3.090 ( 0.000 -6.674 0.000) 6.674 3.116 ( -0.000 7.038 0.000) 7.038 3.482 ( 0.000 -18.067 0.000) 18.067 3.496 ( 0.000 -0.166 0.000) 0.166 3.502 ( -0.000 -0.141 0.000) 0.141 3.618 ( 0.000 3.376 0.000) 3.376 3.676 ( 0.000 -2.244 0.000) 2.244 4.033 ( 0.000 4.447 0.000) 4.447 4.053 ( 0.000 1.692 0.000) 1.692 4.071 ( -0.000 0.328 0.000) 0.328 4.104 ( 0.000 -2.054 0.000) 2.054 4.254 ( 0.000 1.497 0.000) 1.497 4.290 ( 0.000 -1.669 0.000) 1.669 4.530 ( 0.000 1.369 0.000) 1.369 4.549 ( 0.000 -0.439 0.000) 0.439 4.977 ( 0.000 2.864 0.000) 2.864 5.032 ( 0.000 -1.873 0.000) 1.873 5.095 ( 0.000 11.357 0.000) 11.357 5.116 ( 0.000 4.110 0.000) 4.110 5.203 ( -0.000 -3.582 0.000) 3.582 5.340 ( 0.000 -11.160 0.000) 11.160 5.557 ( 0.000 5.437 0.000) 5.437 5.669 ( 0.000 -5.469 0.000) 5.469 6.882 ( 0.000 0.455 0.000) 0.455 6.883 ( -0.000 0.567 0.000) 0.567 7.228 ( 0.000 3.607 0.000) 3.607 7.271 ( 0.000 0.721 0.000) 0.721 7.310 ( -0.000 -2.319 0.000) 2.319 7.313 ( -0.000 -2.500 0.000) 2.500 7.606 ( -0.000 -3.278 0.000) 3.278 7.630 ( 0.000 -4.123 0.000) 4.123 7.798 ( 0.000 10.105 0.000) 10.105 7.979 ( 0.000 -5.460 0.000) 5.460 8.087 ( 0.000 7.558 0.000) 7.558 8.198 ( 0.000 -2.623 0.000) 2.623 8.468 ( 0.000 1.279 0.000) 1.279 8.574 ( 0.000 -9.068 0.000) 9.068 8.825 ( 0.000 0.139 0.000) 0.139 8.910 ( 0.000 -7.854 0.000) 7.854 9.172 ( 0.000 29.461 0.000) 29.461 9.564 ( 0.000 20.947 0.000) 20.947 9.703 ( 0.000 0.748 0.000) 0.748 9.887 ( 0.000 -24.447 0.000) 24.447 9.960 ( -0.000 -9.400 0.000) 9.400 10.005 ( 0.000 -16.496 0.000) 16.496 10.510 ( 0.000 2.690 0.000) 2.690 10.552 ( -0.000 -1.088 0.000) 1.088 10.584 ( 0.000 -5.825 0.000) 5.825 10.646 ( 0.000 -7.382 0.000) 7.382 10.883 ( 0.000 5.046 0.000) 5.046 10.980 ( 0.000 -3.890 0.000) 3.890 12.073 ( 0.000 10.182 0.000) 10.182 12.266 ( 0.000 -8.028 0.000) 8.028 12.598 ( 0.000 16.539 0.000) 16.539 12.937 ( 0.000 -15.743 0.000) 15.743 13.736 ( 0.000 17.982 0.000) 17.982 14.069 ( 0.000 -13.787 0.000) 13.787 14.482 ( 0.000 17.961 0.000) 17.961 14.818 ( 0.000 -14.007 0.000) 14.007 15.245 ( 0.000 2.561 0.000) 2.561 15.304 ( 0.000 -2.699 0.000) 2.699 16.200 ( 0.000 16.132 0.000) 16.132 16.485 ( 0.000 -10.190 0.000) 10.190 16.606 ( 0.000 6.897 0.000) 6.897 16.763 ( 0.000 -7.869 0.000) 7.869 17.142 ( 0.000 2.410 0.000) 2.410 17.225 ( 0.000 -4.938 0.000) 4.938 24.569 ( 0.000 1.716 0.000) 1.716 24.615 ( 0.000 -2.504 0.000) 2.504 24.975 ( 0.000 3.871 0.000) 3.871 25.012 ( 0.000 0.697 0.000) 0.697 25.036 ( 0.000 -1.981 0.000) 1.981 25.037 ( 0.000 -1.628 0.000) 1.628 25.749 ( 0.000 1.854 0.000) 1.854 25.768 ( -0.000 0.360 0.000) 0.360 27.185 ( 0.000 1.942 0.000) 1.942 27.250 ( 0.000 -4.237 0.000) 4.237 27.537 ( 0.000 1.038 0.000) 1.038 27.583 ( 0.000 -3.203 0.000) 3.203 28.249 ( 0.000 8.963 0.000) 8.963 28.398 ( 0.000 -4.927 0.000) 4.927 28.709 ( 0.000 13.415 0.000) 13.415 29.012 ( 0.000 -15.345 0.000) 15.345======================= Grid point 63 (21/60) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( 0.000 0.000 27.344) 27.344 0.529 ( 0.000 0.000 27.454) 27.454 0.994 ( 0.000 0.000 48.342) 48.342 1.601 ( 0.000 0.000 -2.965) 2.965 1.689 ( 0.000 0.000 4.778) 4.778 1.802 ( 0.000 0.000 -8.788) 8.788 1.953 ( 0.000 0.000 -2.315) 2.315 2.037 ( 0.000 0.000 -10.030) 10.030 2.087 ( 0.000 0.000 -1.043) 1.043 2.620 ( 0.000 0.000 5.095) 5.095 2.882 ( 0.000 0.000 -0.891) 0.891 2.890 ( 0.000 0.000 0.842) 0.842 2.902 ( 0.000 0.000 -3.563) 3.563 3.067 ( 0.000 0.000 -6.008) 6.008 3.088 ( 0.000 0.000 -4.321) 4.321 3.265 ( 0.000 0.000 4.578) 4.578 3.368 ( 0.000 0.000 -15.079) 15.079 3.498 ( 0.000 0.000 6.125) 6.125 3.602 ( 0.000 0.000 13.497) 13.497 3.678 ( 0.000 0.000 -0.057) 0.057 3.702 ( 0.000 0.000 -4.201) 4.201 3.865 ( 0.000 0.000 1.395) 1.395 3.897 ( 0.000 0.000 -1.910) 1.910 3.919 ( 0.000 0.000 -1.098) 1.098 4.048 ( 0.000 0.000 0.647) 0.647 4.085 ( 0.000 0.000 -0.265) 0.265 4.197 ( 0.000 0.000 1.825) 1.825 4.407 ( 0.000 0.000 -4.133) 4.133 4.679 ( 0.000 0.000 2.849) 2.849 4.870 ( 0.000 0.000 0.355) 0.355 4.910 ( 0.000 0.000 -1.684) 1.684 4.925 ( 0.000 0.000 -4.513) 4.513 5.085 ( 0.000 0.000 2.253) 2.253 5.126 ( 0.000 0.000 1.332) 1.332 5.160 ( 0.000 0.000 0.791) 0.791 5.243 ( 0.000 0.000 -4.481) 4.481 6.981 ( 0.000 0.000 2.192) 2.192 7.058 ( 0.000 0.000 7.934) 7.934 7.176 ( 0.000 0.000 5.515) 5.515 7.180 ( 0.000 0.000 -2.641) 2.641 7.484 ( 0.000 0.000 -4.203) 4.203 7.644 ( 0.000 0.000 -5.792) 5.792 7.689 ( 0.000 0.000 0.738) 0.738 7.751 ( 0.000 0.000 -0.058) 0.058 7.930 ( 0.000 0.000 1.609) 1.609 8.115 ( 0.000 0.000 -2.301) 2.301 8.144 ( 0.000 0.000 5.685) 5.685 8.407 ( 0.000 0.000 2.095) 2.095 8.470 ( 0.000 0.000 -3.046) 3.046 8.475 ( 0.000 0.000 3.614) 3.614 8.622 ( 0.000 0.000 0.677) 0.677 8.982 ( 0.000 0.000 -4.143) 4.143 9.051 ( 0.000 0.000 6.584) 6.584 9.573 ( 0.000 0.000 0.714) 0.714 9.618 ( 0.000 0.000 -1.514) 1.514 9.690 ( 0.000 0.000 -7.946) 7.946 10.105 ( 0.000 0.000 3.402) 3.402 10.618 ( 0.000 0.000 -9.902) 9.902 10.620 ( 0.000 0.000 0.532) 0.532 10.630 ( 0.000 0.000 0.108) 0.108 11.158 ( 0.000 0.000 2.737) 2.737 11.251 ( 0.000 0.000 5.507) 5.507 11.404 ( 0.000 0.000 -3.285) 3.285 11.573 ( 0.000 0.000 -3.018) 3.018 12.603 ( 0.000 0.000 -0.188) 0.188 12.613 ( 0.000 0.000 -0.557) 0.557 12.778 ( 0.000 0.000 3.265) 3.265 13.040 ( 0.000 0.000 -3.108) 3.108 13.127 ( 0.000 0.000 6.911) 6.911 13.630 ( 0.000 0.000 -5.531) 5.531 14.948 ( 0.000 0.000 5.029) 5.029 15.137 ( 0.000 0.000 5.623) 5.623 15.382 ( 0.000 0.000 -5.275) 5.275 15.694 ( 0.000 0.000 -9.996) 9.996 15.933 ( 0.000 0.000 0.462) 0.462 16.012 ( 0.000 0.000 -1.393) 1.393 16.390 ( 0.000 0.000 1.767) 1.767 16.475 ( 0.000 0.000 -0.348) 0.348 16.671 ( 0.000 0.000 9.720) 9.720 17.197 ( 0.000 0.000 -4.827) 4.827 24.559 ( 0.000 0.000 3.742) 3.742 24.776 ( 0.000 0.000 0.828) 0.828 24.907 ( 0.000 0.000 -6.335) 6.335 24.959 ( 0.000 0.000 -5.112) 5.112 25.214 ( 0.000 0.000 9.307) 9.307 25.325 ( 0.000 0.000 5.486) 5.486 25.539 ( 0.000 0.000 -1.182) 1.182 25.818 ( 0.000 0.000 -7.112) 7.112 27.644 ( 0.000 0.000 2.974) 2.974 27.758 ( 0.000 0.000 2.196) 2.196 27.841 ( 0.000 0.000 -0.077) 0.077 27.929 ( 0.000 0.000 0.092) 0.092 27.940 ( 0.000 0.000 -4.801) 4.801 27.997 ( 0.000 0.000 -1.413) 1.413 28.528 ( 0.000 0.000 5.165) 5.165 28.857 ( 0.000 0.000 -3.415) 3.415======================= Grid point 64 (22/60) =======================q-point: ( 0.12 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.810 ( 21.531 0.000 17.014) 27.442 0.838 ( 17.073 0.000 19.854) 26.185 1.382 ( 30.025 0.000 23.513) 38.136 1.533 ( -1.804 0.000 9.783) 9.948 1.719 ( -7.520 0.000 -7.081) 10.329 1.731 ( 4.678 0.000 4.686) 6.621 1.949 ( 0.599 0.000 -1.871) 1.965 2.070 ( 1.652 0.000 -5.874) 6.102 2.118 ( 4.207 0.000 -0.621) 4.252 2.732 ( 6.222 0.000 -1.147) 6.327 2.835 ( -0.484 0.000 1.528) 1.603 2.888 ( 2.621 0.000 -0.729) 2.720 2.981 ( -0.667 0.000 -8.496) 8.522 3.158 ( 9.057 0.000 -4.544) 10.133 3.162 ( 5.470 0.000 -3.133) 6.304 3.231 ( -1.232 0.000 5.642) 5.775 3.408 ( 5.860 0.000 -10.831) 12.315 3.571 ( -2.393 0.000 9.931) 10.215 3.614 ( 7.609 0.000 -0.125) 7.610 3.680 ( 2.102 0.000 -2.685) 3.410 3.736 ( 0.424 0.000 0.765) 0.875 3.831 ( 0.664 0.000 -2.904) 2.978 3.883 ( 0.941 0.000 6.454) 6.522 4.048 ( 1.263 0.000 -1.645) 2.074 4.121 ( 4.964 0.000 2.316) 5.477 4.148 ( 13.184 0.000 0.991) 13.221 4.274 ( -17.914 0.000 16.777) 24.544 4.354 ( 12.714 0.000 0.443) 12.721 4.451 ( -5.065 0.000 5.175) 7.241 4.667 ( -1.297 0.000 1.019) 1.649 4.882 ( 0.955 0.000 0.651) 1.156 4.928 ( 0.635 0.000 -1.151) 1.315 4.959 ( 1.577 0.000 -2.672) 3.103 5.092 ( -7.100 0.000 -5.240) 8.824 5.176 ( -0.039 0.000 2.034) 2.035 5.514 ( 8.928 0.000 -11.330) 14.425 6.868 ( -6.502 0.000 5.513) 8.525 7.076 ( 0.454 0.000 8.555) 8.567 7.156 ( -1.950 0.000 -3.184) 3.734 7.196 ( 0.604 0.000 3.973) 4.019 7.456 ( -2.697 0.000 -3.489) 4.410 7.601 ( -4.721 0.000 7.913) 9.214 7.655 ( 0.838 0.000 -6.101) 6.159 7.762 ( 0.750 0.000 -1.700) 1.858 7.924 ( -6.664 0.000 8.420) 10.738 7.977 ( 3.697 0.000 1.751) 4.091 8.082 ( -4.872 0.000 2.546) 5.497 8.126 ( 0.662 0.000 -1.702) 1.826 8.426 ( -5.635 0.000 7.140) 9.096 8.504 ( 7.450 0.000 7.020) 10.237 8.927 ( -4.384 0.000 -4.413) 6.220 9.028 ( 5.995 0.000 3.145) 6.770 9.489 ( 1.112 0.000 -8.336) 8.410 9.599 ( -1.833 0.000 -0.786) 1.995 9.746 ( 4.831 0.000 -8.243) 9.554 9.781 ( 22.777 0.000 -28.997) 36.874 10.116 ( 1.003 0.000 3.474) 3.616 10.574 ( -4.082 0.000 0.637) 4.131 10.603 ( -2.165 0.000 -0.312) 2.188 10.619 ( 0.553 0.000 -8.989) 9.006 11.176 ( -6.977 0.000 5.185) 8.693 11.203 ( 3.836 0.000 3.713) 5.339 11.468 ( 5.048 0.000 -3.661) 6.235 11.494 ( -6.805 0.000 -3.274) 7.551 12.126 ( -21.542 0.000 19.285) 28.913 12.471 ( -9.685 0.000 -1.989) 9.887 12.812 ( -1.985 0.000 8.518) 8.746 13.013 ( -8.710 0.000 5.995) 10.574 13.182 ( 8.880 0.000 -2.985) 9.369 13.534 ( -4.964 0.000 -8.821) 10.122 14.896 ( -6.739 0.000 5.485) 8.689 15.150 ( 4.245 0.000 6.578) 7.829 15.315 ( -2.356 0.000 7.078) 7.460 15.508 ( -12.284 0.000 -6.962) 14.120 15.865 ( -6.193 0.000 0.366) 6.204 16.226 ( 7.265 0.000 -17.697) 19.131 16.549 ( 12.906 0.000 2.222) 13.096 16.675 ( 0.616 0.000 8.456) 8.478 16.726 ( 17.105 0.000 -1.835) 17.203 17.193 ( -0.413 0.000 -4.734) 4.752 24.561 ( 0.125 0.000 3.649) 3.651 24.772 ( -0.293 0.000 0.902) 0.948 24.836 ( -6.348 0.000 7.121) 9.540 24.906 ( -1.314 0.000 -6.788) 6.914 25.121 ( -2.807 0.000 8.507) 8.958 25.243 ( -0.756 0.000 10.045) 10.074 25.500 ( -2.850 0.000 -1.957) 3.458 25.833 ( 0.619 0.000 -6.868) 6.896 27.474 ( -8.685 0.000 1.909) 8.892 27.581 ( -6.629 0.000 1.429) 6.781 27.817 ( -2.758 0.000 -0.239) 2.768 27.885 ( -0.791 0.000 -1.245) 1.475 27.993 ( 11.014 0.000 5.251) 12.202 28.034 ( -3.538 0.000 8.511) 9.217 28.744 ( -9.709 0.000 -2.564) 10.041 29.155 ( 22.447 0.000 -28.715) 36.447======================= Grid point 65 (23/60) =======================q-point: ( 0.25 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.160 ( 13.027 0.000 10.540) 16.757 1.285 ( 20.115 0.000 7.740) 21.553 1.532 ( 2.739 0.000 11.808) 12.122 1.563 ( -3.903 0.000 -2.163) 4.462 1.782 ( 8.305 0.000 -0.075) 8.305 1.970 ( 0.933 0.000 -1.622) 1.871 1.999 ( 14.129 0.000 4.914) 14.960 2.096 ( 1.278 0.000 -1.864) 2.260 2.257 ( 7.289 0.000 6.254) 9.604 2.599 ( -9.407 0.000 1.826) 9.583 2.907 ( -5.670 0.000 -4.230) 7.074 3.025 ( 9.172 0.000 4.390) 10.168 3.036 ( 2.992 0.000 -9.763) 10.212 3.127 ( -2.202 0.000 -0.240) 2.215 3.249 ( 6.508 0.000 0.399) 6.520 3.484 ( 16.615 0.000 -2.191) 16.758 3.526 ( -1.439 0.000 6.398) 6.557 3.604 ( 9.936 0.000 0.460) 9.947 3.682 ( 0.110 0.000 -2.050) 2.053 3.726 ( 0.650 0.000 -1.055) 1.239 3.868 ( -0.641 0.000 3.453) 3.513 3.868 ( 13.099 0.000 -6.922) 14.816 3.892 ( 2.154 0.000 6.310) 6.667 4.069 ( -2.370 0.000 6.521) 6.938 4.094 ( 4.753 0.000 -2.727) 5.479 4.313 ( 11.715 0.000 4.470) 12.539 4.390 ( 8.174 0.000 2.714) 8.613 4.432 ( 0.573 0.000 3.636) 3.680 4.557 ( -3.692 0.000 -1.026) 3.832 4.639 ( 3.410 0.000 -3.532) 4.909 4.893 ( 0.453 0.000 0.370) 0.585 4.953 ( 1.509 0.000 -0.797) 1.707 5.050 ( 8.884 0.000 -4.581) 9.996 5.054 ( 7.946 0.000 -4.527) 9.145 5.222 ( 3.205 0.000 3.669) 4.872 5.685 ( 8.433 0.000 -11.033) 13.886 6.777 ( -1.807 0.000 5.712) 5.991 7.073 ( -0.359 0.000 9.162) 9.169 7.118 ( -1.281 0.000 -3.837) 4.045 7.169 ( -3.384 0.000 2.811) 4.399 7.375 ( -4.787 0.000 -2.701) 5.496 7.524 ( -3.356 0.000 7.568) 8.278 7.671 ( 0.466 0.000 -6.684) 6.700 7.774 ( 0.464 0.000 -2.456) 2.500 7.863 ( -1.079 0.000 2.347) 2.583 7.969 ( -5.179 0.000 0.278) 5.187 8.044 ( 1.806 0.000 1.191) 2.164 8.139 ( 0.432 0.000 -1.189) 1.265 8.319 ( -3.844 0.000 7.053) 8.032 8.658 ( 6.301 0.000 10.004) 11.823 8.832 ( -4.058 0.000 -4.804) 6.289 9.146 ( 5.126 0.000 4.714) 6.964 9.435 ( -3.708 0.000 -2.795) 4.643 9.537 ( -4.272 0.000 0.253) 4.280 9.867 ( 6.128 0.000 -8.911) 10.815 9.927 ( -5.941 0.000 -17.702) 18.673 10.133 ( 0.412 0.000 4.142) 4.163 10.473 ( -4.649 0.000 1.574) 4.908 10.569 ( -0.747 0.000 -2.614) 2.719 10.654 ( 2.590 0.000 -8.615) 8.996 10.972 ( -11.619 0.000 4.601) 12.497 11.261 ( -3.641 0.000 -1.367) 3.889 11.356 ( -0.621 0.000 2.066) 2.158 11.569 ( 3.718 0.000 -3.135) 4.863 11.871 ( -4.565 0.000 11.260) 12.150 12.297 ( -5.917 0.000 -3.938) 7.108 12.739 ( -4.165 0.000 9.670) 10.529 12.802 ( -9.824 0.000 6.781) 11.937 13.352 ( 6.422 0.000 -5.867) 8.698 13.421 ( -6.001 0.000 -9.315) 11.081 14.726 ( -7.594 0.000 5.395) 9.315 15.280 ( -3.019 0.000 7.036) 7.656 15.281 ( -6.470 0.000 -8.228) 10.468 15.288 ( 7.139 0.000 8.891) 11.403 15.697 ( -8.945 0.000 0.627) 8.967 16.320 ( 2.649 0.000 -13.242) 13.505 16.659 ( -1.200 0.000 9.480) 9.555 16.839 ( 12.998 0.000 2.895) 13.317 17.081 ( 14.815 0.000 -3.102) 15.136 17.178 ( -0.951 0.000 -4.683) 4.779 24.565 ( 0.240 0.000 3.259) 3.268 24.765 ( -0.374 0.000 1.472) 1.519 24.774 ( -0.233 0.000 7.180) 7.183 24.886 ( -0.641 0.000 -6.642) 6.673 25.105 ( 0.017 0.000 1.970) 1.970 25.233 ( -0.403 0.000 9.500) 9.508 25.451 ( -1.320 0.000 -3.042) 3.316 25.813 ( -2.932 0.000 -6.821) 7.425 27.321 ( -5.776 0.000 2.168) 6.170 27.518 ( -1.134 0.000 -2.984) 3.192 27.725 ( -5.660 0.000 -0.936) 5.737 27.826 ( -3.681 0.000 -1.662) 4.039 27.958 ( -2.958 0.000 9.121) 9.589 28.224 ( 8.828 0.000 4.705) 10.003 28.518 ( -9.621 0.000 1.548) 9.745 29.449 ( 8.637 0.000 -20.184) 21.954======================= Grid point 66 (24/60) =======================q-point: ( 0.38 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.341 ( 4.122 0.000 2.063) 4.610 1.400 ( -1.425 0.000 -0.527) 1.519 1.626 ( 5.009 0.000 12.715) 13.666 1.794 ( 16.159 0.000 4.546) 16.787 1.982 ( 11.196 0.000 -0.044) 11.196 1.983 ( 0.472 0.000 -0.103) 0.483 2.133 ( 2.096 0.000 -1.853) 2.797 2.171 ( 4.303 0.000 -2.071) 4.775 2.328 ( -0.432 0.000 6.547) 6.561 2.443 ( -3.394 0.000 2.911) 4.471 2.710 ( -11.075 0.000 7.468) 13.358 2.872 ( -13.782 0.000 -2.632) 14.031 3.125 ( 1.740 0.000 -7.573) 7.770 3.227 ( 6.465 0.000 3.376) 7.293 3.438 ( 8.255 0.000 -7.927) 11.445 3.508 ( -0.174 0.000 6.318) 6.321 3.659 ( -1.977 0.000 -4.073) 4.528 3.747 ( 3.113 0.000 0.657) 3.182 3.763 ( 2.568 0.000 1.726) 3.094 3.792 ( 7.903 0.000 0.054) 7.903 3.840 ( -0.827 0.000 8.695) 8.734 3.980 ( 6.858 0.000 -1.500) 7.020 4.033 ( 3.541 0.000 -0.756) 3.621 4.066 ( 0.732 0.000 1.298) 1.490 4.290 ( 3.222 0.000 -8.397) 8.993 4.417 ( -0.726 0.000 -4.982) 5.035 4.420 ( -2.062 0.000 6.696) 7.006 4.561 ( 9.552 0.000 6.620) 11.622 4.601 ( 15.139 0.000 6.379) 16.428 4.698 ( 2.467 0.000 -2.379) 3.427 4.905 ( 0.292 0.000 0.693) 0.752 4.983 ( 1.135 0.000 -1.176) 1.635 5.228 ( 6.238 0.000 -5.028) 8.013 5.232 ( 2.391 0.000 -0.631) 2.473 5.387 ( 12.254 0.000 -1.092) 12.302 5.868 ( 7.812 0.000 -11.774) 14.130 6.792 ( 2.897 0.000 5.082) 5.850 7.062 ( -5.024 0.000 4.784) 6.938 7.071 ( -0.980 0.000 6.729) 6.800 7.111 ( 0.610 0.000 -3.733) 3.783 7.269 ( -4.731 0.000 -2.479) 5.341 7.454 ( -2.870 0.000 7.852) 8.360 7.673 ( -0.179 0.000 -7.296) 7.299 7.791 ( 1.317 0.000 -2.202) 2.565 7.862 ( 1.047 0.000 0.462) 1.144 7.882 ( -2.935 0.000 -0.741) 3.027 8.041 ( -1.678 0.000 1.770) 2.439 8.138 ( -0.582 0.000 -1.040) 1.192 8.266 ( -1.497 0.000 6.450) 6.622 8.741 ( -0.367 0.000 1.831) 1.867 8.781 ( 1.241 0.000 1.658) 2.071 9.238 ( 3.474 0.000 5.885) 6.834 9.375 ( -1.160 0.000 -2.195) 2.483 9.424 ( -5.671 0.000 1.093) 5.775 9.682 ( -14.026 0.000 -8.809) 16.563 9.988 ( 4.950 0.000 -10.853) 11.929 10.141 ( 0.263 0.000 4.876) 4.883 10.408 ( -1.302 0.000 2.587) 2.896 10.561 ( -0.178 0.000 -3.064) 3.069 10.707 ( 1.779 0.000 -7.897) 8.095 10.729 ( -10.031 0.000 3.765) 10.714 11.103 ( -6.874 0.000 -4.559) 8.248 11.432 ( 3.768 0.000 4.070) 5.546 11.613 ( 0.667 0.000 -1.519) 1.659 11.849 ( 0.872 0.000 5.348) 5.419 12.227 ( -1.273 0.000 -4.914) 5.076 12.639 ( -5.198 0.000 7.829) 9.398 12.660 ( -2.872 0.000 10.442) 10.830 13.296 ( -5.079 0.000 -8.509) 9.909 13.444 ( 2.416 0.000 -9.028) 9.346 14.605 ( -3.740 0.000 5.350) 6.527 15.168 ( -2.858 0.000 -9.334) 9.762 15.256 ( -0.952 0.000 4.618) 4.716 15.410 ( 3.725 0.000 7.855) 8.694 15.529 ( -5.860 0.000 3.874) 7.025 16.352 ( 0.612 0.000 -8.361) 8.383 16.639 ( -0.508 0.000 7.746) 7.763 17.058 ( 7.288 0.000 3.258) 7.983 17.157 ( -0.888 0.000 -4.768) 4.850 17.325 ( 7.946 0.000 -3.182) 8.559 24.570 ( 0.214 0.000 2.537) 2.546 24.758 ( -0.274 0.000 2.620) 2.634 24.790 ( 1.155 0.000 6.222) 6.329 24.877 ( -0.229 0.000 -7.395) 7.398 25.106 ( -0.027 0.000 -0.479) 0.480 25.225 ( -0.294 0.000 9.318) 9.323 25.459 ( 2.182 0.000 -4.473) 4.977 25.712 ( -6.096 0.000 -5.840) 8.442 27.229 ( -2.976 0.000 2.787) 4.077 27.506 ( -0.273 0.000 -4.846) 4.853 27.609 ( -4.502 0.000 0.162) 4.505 27.752 ( -2.818 0.000 -2.086) 3.506 27.915 ( -1.247 0.000 7.902) 8.000 28.265 ( -3.736 0.000 -3.079) 4.841 28.461 ( 3.333 0.000 11.958) 12.414 29.576 ( 3.805 0.000 -16.271) 16.710======================= Grid point 67 (25/60) =======================q-point: (-0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.377 ( 0.000 0.000 1.088) 1.088 1.387 ( 0.000 0.000 -0.015) 0.015 1.685 ( 0.000 0.000 10.958) 10.958 1.960 ( 0.000 0.000 2.018) 2.018 1.998 ( 0.000 0.000 2.220) 2.220 2.162 ( 0.000 0.000 -1.810) 1.810 2.186 ( 0.000 0.000 -4.068) 4.068 2.215 ( 0.000 0.000 -2.870) 2.870 2.270 ( 0.000 0.000 5.266) 5.266 2.549 ( -0.000 0.000 -2.332) 2.332 2.555 ( 0.000 0.000 16.046) 16.046 2.566 ( 0.000 0.000 4.654) 4.654 3.148 ( 0.000 0.000 -8.494) 8.494 3.291 ( 0.000 0.000 0.769) 0.769 3.509 ( 0.000 0.000 6.919) 6.919 3.555 ( 0.000 0.000 -10.454) 10.454 3.609 ( 0.000 0.000 -3.935) 3.935 3.771 ( 0.000 0.000 0.087) 0.087 3.798 ( 0.000 0.000 2.021) 2.021 3.833 ( 0.000 0.000 8.203) 8.203 3.844 ( 0.000 0.000 -3.792) 3.792 4.061 ( 0.000 0.000 1.501) 1.501 4.084 ( 0.000 0.000 -0.043) 0.043 4.101 ( 0.000 0.000 2.479) 2.479 4.232 ( 0.000 0.000 -5.195) 5.195 4.382 ( 0.000 0.000 6.436) 6.436 4.467 ( 0.000 0.000 -4.959) 4.959 4.701 ( 0.000 0.000 9.099) 9.099 4.721 ( 0.000 0.000 -3.964) 3.964 4.820 ( 0.000 0.000 5.690) 5.690 4.907 ( 0.000 0.000 0.970) 0.970 4.995 ( 0.000 0.000 -1.327) 1.327 5.247 ( 0.000 0.000 -0.003) 0.003 5.289 ( 0.000 0.000 -6.110) 6.110 5.529 ( 0.000 0.000 -3.146) 3.146 5.958 ( 0.000 0.000 -11.945) 11.945 6.854 ( -0.000 0.000 3.931) 3.931 6.967 ( 0.000 0.000 4.118) 4.118 7.072 ( 0.000 0.000 7.814) 7.814 7.128 ( 0.000 0.000 -3.510) 3.510 7.206 ( -0.000 0.000 -2.472) 2.472 7.421 ( 0.000 0.000 8.482) 8.482 7.670 ( 0.000 0.000 -7.658) 7.658 7.827 ( 0.000 0.000 -4.611) 4.611 7.836 ( -0.000 0.000 1.467) 1.467 7.885 ( 0.000 0.000 -0.255) 0.255 8.012 ( 0.000 0.000 2.613) 2.613 8.126 ( 0.000 0.000 -0.917) 0.917 8.249 ( 0.000 0.000 5.887) 5.887 8.720 ( 0.000 0.000 -4.112) 4.112 8.811 ( 0.000 0.000 6.222) 6.222 9.280 ( 0.000 0.000 7.698) 7.698 9.352 ( 0.000 0.000 1.186) 1.186 9.410 ( 0.000 0.000 -0.255) 0.255 9.461 ( 0.000 0.000 -9.434) 9.434 10.048 ( 0.000 0.000 -11.918) 11.918 10.143 ( 0.000 0.000 4.967) 4.967 10.401 ( 0.000 0.000 2.633) 2.633 10.559 ( 0.000 0.000 -2.884) 2.884 10.607 ( -0.000 0.000 4.921) 4.921 10.727 ( 0.000 0.000 -8.517) 8.517 11.026 ( 0.000 0.000 -4.537) 4.537 11.474 ( 0.000 0.000 3.092) 3.092 11.616 ( 0.000 0.000 -0.678) 0.678 11.864 ( 0.000 0.000 4.133) 4.133 12.218 ( 0.000 0.000 -5.067) 5.067 12.585 ( 0.000 0.000 8.395) 8.395 12.629 ( 0.000 0.000 11.293) 11.293 13.238 ( 0.000 0.000 -8.622) 8.622 13.466 ( 0.000 0.000 -10.604) 10.604 14.566 ( 0.000 0.000 5.383) 5.383 15.141 ( 0.000 0.000 -9.902) 9.902 15.245 ( 0.000 0.000 3.733) 3.733 15.427 ( 0.000 0.000 -1.216) 1.216 15.486 ( 0.000 0.000 13.860) 13.860 16.357 ( 0.000 0.000 -6.057) 6.057 16.635 ( 0.000 0.000 6.489) 6.489 17.137 ( 0.000 0.000 3.435) 3.435 17.147 ( 0.000 0.000 -4.901) 4.901 17.409 ( 0.000 0.000 -3.232) 3.232 24.572 ( 0.000 0.000 2.105) 2.105 24.755 ( 0.000 0.000 3.272) 3.272 24.805 ( 0.000 0.000 6.534) 6.534 24.875 ( 0.000 0.000 -8.267) 8.267 25.105 ( 0.000 0.000 -1.285) 1.285 25.222 ( 0.000 0.000 9.314) 9.314 25.514 ( 0.000 0.000 -7.056) 7.056 25.611 ( 0.000 0.000 -3.191) 3.191 27.197 ( 0.000 0.000 3.003) 3.003 27.503 ( 0.000 0.000 -6.491) 6.491 27.559 ( 0.000 0.000 1.805) 1.805 27.721 ( 0.000 0.000 -2.233) 2.233 27.902 ( 0.000 0.000 7.338) 7.338 28.217 ( 0.000 0.000 -2.292) 2.292 28.506 ( 0.000 0.000 12.026) 12.026 29.615 ( 0.000 0.000 -15.306) 15.306======================= Grid point 72 (26/60) =======================q-point: ( 0.00 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.811 ( 0.000 22.889 16.762) 28.371 0.917 ( 0.000 18.909 23.608) 30.247 1.376 ( 0.000 33.948 19.894) 39.348 1.694 ( 0.000 0.347 3.729) 3.745 1.748 ( 0.000 19.155 6.668) 20.282 1.852 ( 0.000 3.954 -6.470) 7.583 2.060 ( 0.000 2.804 -11.697) 12.028 2.102 ( 0.000 6.528 -10.135) 12.055 2.201 ( 0.000 10.642 1.449) 10.740 2.655 ( 0.000 3.260 3.844) 5.040 2.838 ( 0.000 -1.864 -0.679) 1.984 2.893 ( 0.000 -2.373 -0.766) 2.493 2.898 ( 0.000 -0.395 -3.223) 3.247 3.021 ( 0.000 -2.008 -6.562) 6.863 3.116 ( 0.000 0.490 -6.000) 6.020 3.251 ( 0.000 -1.359 4.757) 4.947 3.380 ( 0.000 -0.137 -2.398) 2.402 3.464 ( 0.000 -3.178 6.830) 7.533 3.650 ( 0.000 5.372 6.362) 8.327 3.658 ( 0.000 -4.893 -5.152) 7.105 3.708 ( 0.000 2.276 -1.558) 2.758 3.782 ( 0.000 -7.242 -0.314) 7.248 3.864 ( 0.000 -2.015 3.524) 4.059 3.875 ( 0.000 -3.768 -1.397) 4.019 4.038 ( 0.000 -1.071 -2.527) 2.744 4.081 ( 0.000 0.067 2.468) 2.469 4.161 ( 0.000 -5.568 6.044) 8.218 4.291 ( 0.000 -18.370 24.404) 30.546 4.476 ( 0.000 5.113 -6.310) 8.122 4.646 ( 0.000 -2.890 2.709) 3.961 4.827 ( 0.000 -8.190 -2.931) 8.699 4.922 ( 0.000 -0.387 -2.170) 2.204 5.123 ( 0.000 0.394 -1.930) 1.970 5.157 ( 0.000 1.941 1.210) 2.287 5.166 ( 0.000 -5.498 -3.483) 6.509 5.181 ( 0.000 1.761 0.876) 1.967 7.020 ( 0.000 5.348 7.001) 8.810 7.092 ( 0.000 2.722 7.721) 8.187 7.172 ( 0.000 0.260 4.496) 4.504 7.417 ( 0.000 7.699 -4.284) 8.810 7.474 ( 0.000 -2.190 -2.073) 3.015 7.621 ( 0.000 3.025 -5.713) 6.465 7.779 ( 0.000 2.426 0.526) 2.483 7.818 ( 0.000 7.727 -1.283) 7.833 7.890 ( 0.000 -5.246 2.644) 5.874 8.025 ( 0.000 -2.975 8.112) 8.641 8.102 ( 0.000 -1.151 -2.960) 3.176 8.412 ( 0.000 0.526 2.144) 2.207 8.540 ( 0.000 4.955 -0.224) 4.960 8.562 ( 0.000 1.098 -16.206) 16.243 8.648 ( 0.000 4.200 3.814) 5.673 8.991 ( 0.000 -4.758 7.159) 8.596 9.028 ( 0.000 4.633 -3.939) 6.081 9.445 ( 0.000 -12.737 -1.407) 12.815 9.625 ( 0.000 -0.115 -0.313) 0.334 9.803 ( 0.000 5.901 -10.681) 12.203 10.068 ( 0.000 -3.423 3.640) 4.997 10.553 ( 0.000 -8.051 2.111) 8.323 10.610 ( 0.000 -0.728 -10.326) 10.351 10.630 ( 0.000 1.664 -2.486) 2.991 11.041 ( 0.000 -8.547 3.912) 9.400 11.213 ( 0.000 -3.549 5.372) 6.438 11.335 ( 0.000 -7.690 -4.124) 8.726 11.505 ( 0.000 -6.178 -2.580) 6.695 12.030 ( 0.000 -11.820 22.623) 25.525 12.751 ( 0.000 -2.604 3.763) 4.576 12.930 ( 0.000 4.168 -18.057) 18.532 13.058 ( 0.000 1.485 -3.673) 3.961 13.411 ( 0.000 16.038 7.025) 17.509 13.888 ( 0.000 20.994 -7.153) 22.179 14.894 ( 0.000 -5.506 5.345) 7.674 15.122 ( 0.000 -0.962 4.771) 4.867 15.400 ( 0.000 1.087 -5.299) 5.409 15.474 ( 0.000 -18.325 19.567) 26.808 15.662 ( 0.000 -2.581 -8.975) 9.339 16.031 ( 0.000 -3.090 -6.204) 6.931 16.403 ( 0.000 0.752 2.664) 2.768 16.524 ( 0.000 4.650 -0.810) 4.720 16.659 ( 0.000 -1.115 9.327) 9.393 17.177 ( 0.000 -1.934 -4.820) 5.194 24.562 ( 0.000 0.332 3.560) 3.575 24.762 ( 0.000 -0.917 1.512) 1.768 24.842 ( 0.000 -3.014 4.507) 5.422 24.892 ( 0.000 -1.248 -6.056) 6.183 25.121 ( 0.000 -1.232 13.443) 13.500 25.215 ( 0.000 0.098 9.672) 9.672 25.856 ( 0.000 3.464 -7.653) 8.401 26.100 ( 0.000 17.421 -26.866) 32.020 27.621 ( 0.000 -2.824 3.821) 4.751 27.640 ( 0.000 -6.546 2.177) 6.898 27.789 ( 0.000 -5.270 -1.919) 5.609 27.879 ( 0.000 -4.549 -0.652) 4.595 27.987 ( 0.000 6.853 2.654) 7.349 28.105 ( 0.000 -11.178 22.727) 25.327 28.169 ( 0.000 10.438 -1.988) 10.626 28.996 ( 0.000 -1.610 -12.611) 12.714======================= Grid point 73 (27/60) =======================q-point: ( 0.12 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.999 ( 11.780 14.108 15.251) 23.883 1.083 ( 14.723 18.152 15.410) 27.995 1.617 ( 13.966 19.295 6.588) 24.713 1.688 ( -0.115 9.048 3.671) 9.765 1.756 ( 1.223 5.669 1.014) 5.888 1.882 ( 3.613 16.730 5.002) 17.832 1.946 ( -1.577 -0.181 -3.158) 3.534 2.167 ( 0.647 8.358 -3.255) 8.993 2.252 ( 5.395 9.579 -3.327) 11.486 2.763 ( 0.917 2.773 -0.330) 2.939 2.808 ( 6.114 0.823 -2.173) 6.540 2.854 ( 1.167 -4.212 1.523) 4.628 2.976 ( 0.768 -1.043 -6.949) 7.069 3.115 ( 9.376 -2.219 -4.071) 10.460 3.183 ( 2.405 0.071 -1.478) 2.824 3.235 ( 2.043 0.563 2.748) 3.470 3.438 ( 5.302 0.281 -1.121) 5.427 3.509 ( 1.955 -4.648 7.722) 9.222 3.648 ( -0.684 -2.064 -4.202) 4.731 3.675 ( -1.740 -2.964 -0.992) 3.577 3.680 ( 4.196 3.211 -0.111) 5.285 3.811 ( -0.229 -2.784 -1.569) 3.204 3.895 ( 6.654 1.656 6.424) 9.396 3.981 ( 4.861 -8.799 1.572) 10.175 4.044 ( 2.898 -0.858 2.737) 4.078 4.131 ( -3.516 -6.425 14.778) 16.494 4.206 ( 9.478 0.831 0.137) 9.515 4.278 ( 3.867 -3.996 3.972) 6.834 4.524 ( 4.890 4.848 -3.964) 7.946 4.655 ( 0.157 -1.468 1.165) 1.880 4.841 ( 1.873 -6.980 -2.492) 7.644 4.926 ( -0.319 -0.023 -3.142) 3.159 4.970 ( -2.167 2.619 1.041) 3.555 5.066 ( -5.921 -1.856 -3.639) 7.193 5.191 ( 1.820 1.367 2.079) 3.083 5.423 ( 10.125 -5.401 -5.658) 12.794 6.907 ( -6.377 3.969 6.380) 9.855 7.115 ( 0.167 2.039 7.997) 8.255 7.201 ( 0.592 2.346 3.342) 4.125 7.332 ( -6.749 9.531 -5.601) 12.952 7.454 ( -1.999 -1.402 -2.032) 3.176 7.567 ( -4.585 -0.712 3.657) 5.908 7.733 ( -1.967 5.244 -2.244) 6.034 7.785 ( -0.293 2.275 -2.041) 3.070 7.940 ( 1.561 -1.336 2.626) 3.334 7.993 ( -0.865 1.987 3.029) 3.725 8.070 ( -4.763 -0.659 -0.375) 4.823 8.154 ( -4.224 3.462 -0.725) 5.509 8.473 ( 2.728 -0.519 5.057) 5.769 8.530 ( -2.443 8.093 6.533) 10.683 8.934 ( -0.480 -0.453 -4.638) 4.685 9.006 ( 4.012 -1.430 2.082) 4.741 9.311 ( 9.784 -11.666 -9.907) 18.165 9.513 ( 8.741 -17.017 -5.484) 19.901 9.591 ( -2.994 -1.109 0.030) 3.193 9.853 ( 4.111 3.504 -11.491) 12.697 10.091 ( 1.927 -2.330 3.923) 4.952 10.517 ( -1.841 -5.130 -0.775) 5.505 10.567 ( -1.668 0.052 -3.694) 4.053 10.702 ( 3.022 2.801 -7.032) 8.150 11.061 ( 1.891 -11.424 4.029) 12.260 11.142 ( -6.465 -3.196 5.187) 8.883 11.368 ( 2.186 -10.367 -4.784) 11.625 11.438 ( -5.363 -5.419 -2.748) 8.104 11.954 ( -5.796 -5.715 18.414) 20.133 12.586 ( -16.813 6.621 -7.155) 19.434 12.786 ( -4.546 -1.903 5.411) 7.319 13.140 ( 5.407 -0.510 -3.853) 6.659 13.249 ( -10.117 16.973 8.028) 21.328 13.832 ( -3.985 20.816 -9.824) 23.360 14.824 ( -7.235 -6.703 6.064) 11.578 15.157 ( 4.700 0.404 5.996) 7.629 15.303 ( -1.122 -0.974 7.672) 7.815 15.448 ( -10.897 -5.466 -5.745) 13.477 15.835 ( 5.480 -2.295 -2.185) 6.331 16.103 ( 8.619 -6.162 -11.554) 15.677 16.531 ( 10.495 -1.352 2.918) 10.976 16.650 ( 1.588 -1.233 7.899) 8.151 16.719 ( 13.777 0.206 -0.326) 13.782 17.174 ( -0.367 -1.912 -4.792) 5.173 24.562 ( 0.022 0.246 3.519) 3.528 24.759 ( -0.275 -0.921 1.546) 1.820 24.819 ( -1.267 0.330 5.251) 5.412 24.889 ( -0.322 -1.045 -6.099) 6.196 25.111 ( -0.602 -0.043 8.905) 8.925 25.222 ( 0.370 -0.475 9.959) 9.977 25.758 ( -11.093 10.933 -8.046) 17.531 25.925 ( -4.927 9.960 -10.318) 15.164 27.457 ( -7.802 -1.386 2.387) 8.276 27.572 ( -5.377 -1.554 1.563) 5.812 27.747 ( -0.390 -3.598 -1.319) 3.852 27.881 ( -2.473 -1.673 -2.147) 3.678 28.028 ( -2.571 -0.336 10.930) 11.234 28.081 ( 8.331 5.961 4.679) 11.262 28.556 ( 7.776 -9.966 -2.122) 12.818 29.062 ( 10.019 -6.631 -16.315) 20.261======================= Grid point 74 (28/60) =======================q-point: ( 0.25 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.250 ( 11.391 8.061 7.955) 16.063 1.431 ( 16.268 11.002 7.949) 21.187 1.559 ( -6.163 4.538 -3.487) 8.410 1.724 ( 0.023 8.581 7.434) 11.353 1.861 ( 8.483 10.109 1.643) 13.299 1.972 ( 2.396 0.001 -2.438) 3.419 2.126 ( 9.901 12.468 4.336) 16.501 2.173 ( 0.215 6.838 -1.251) 6.954 2.336 ( 0.689 4.328 1.966) 4.804 2.653 ( -5.534 4.367 2.248) 7.400 2.873 ( -1.184 -1.823 -6.221) 6.590 3.015 ( 7.500 0.399 4.592) 8.803 3.071 ( -1.909 2.901 -4.051) 5.336 3.147 ( 3.741 1.364 -1.800) 4.369 3.287 ( 8.249 2.796 -0.349) 8.717 3.458 ( 14.938 -2.498 -1.318) 15.203 3.483 ( -0.084 -4.603 3.495) 5.780 3.591 ( 1.616 -4.540 5.212) 7.099 3.636 ( 3.789 -0.841 0.482) 3.911 3.669 ( 1.443 -2.903 -1.509) 3.576 3.821 ( 3.923 -1.018 3.015) 5.052 3.866 ( 6.942 0.681 -5.201) 8.701 3.978 ( -0.758 -4.914 6.074) 7.850 4.025 ( 8.196 4.754 -1.303) 9.564 4.110 ( 1.307 0.958 0.711) 1.769 4.278 ( 14.466 -1.802 3.720) 15.045 4.363 ( 4.525 -3.851 3.309) 6.801 4.398 ( 6.073 -0.476 3.004) 6.792 4.578 ( -7.167 0.634 -3.064) 7.820 4.667 ( 5.578 1.845 -1.865) 6.164 4.909 ( 1.349 0.965 0.317) 1.689 4.941 ( 3.147 -1.567 -1.198) 3.714 5.031 ( 7.625 -0.765 -2.736) 8.137 5.068 ( 9.903 1.358 -3.223) 10.503 5.243 ( 3.158 1.518 2.458) 4.280 5.609 ( 8.493 -6.241 -8.166) 13.333 6.814 ( -1.994 3.519 5.386) 6.736 7.099 ( -1.924 -0.464 6.530) 6.824 7.162 ( -2.763 4.891 0.279) 5.624 7.214 ( -4.174 5.544 -0.294) 6.946 7.388 ( -4.306 0.273 -2.256) 4.869 7.493 ( -3.069 -2.325 6.368) 7.441 7.712 ( -0.678 4.684 -5.225) 7.050 7.778 ( -0.442 -0.724 -3.052) 3.168 7.919 ( -1.756 2.050 1.416) 3.047 7.947 ( -5.038 -1.767 0.234) 5.344 8.035 ( 1.670 0.432 1.494) 2.282 8.140 ( 0.253 0.702 -1.218) 1.428 8.412 ( -3.564 8.354 5.985) 10.877 8.603 ( 4.169 -3.558 8.067) 9.753 8.872 ( -3.161 3.991 -4.559) 6.834 9.106 ( 3.486 -5.467 2.928) 7.114 9.339 ( -2.114 -8.396 -3.184) 9.225 9.514 ( -3.576 -0.210 1.282) 3.804 9.618 ( -1.859 -20.530 -9.128) 22.545 9.933 ( 3.506 2.458 -8.396) 9.425 10.138 ( 2.323 -0.144 4.623) 5.176 10.476 ( -2.978 -0.661 1.860) 3.573 10.552 ( 0.957 0.702 -6.057) 6.172 10.745 ( 1.253 4.074 -7.949) 9.020 10.946 ( -10.855 -2.790 4.207) 11.972 11.124 ( 2.852 -15.128 3.426) 15.771 11.263 ( -8.069 -5.900 -2.663) 10.344 11.448 ( 2.903 -13.861 -4.606) 14.892 11.843 ( -4.129 0.320 11.055) 11.805 12.273 ( -11.232 4.541 -3.970) 12.749 12.700 ( -4.101 -3.397 8.691) 10.193 13.055 ( -7.643 19.364 6.821) 21.907 13.252 ( 4.609 -3.981 -5.575) 8.256 13.732 ( -5.424 19.572 -10.367) 22.803 14.658 ( -7.062 -6.207 5.662) 10.976 15.206 ( -5.508 -5.771 -7.361) 10.855 15.285 ( -1.567 0.557 8.392) 8.555 15.327 ( 5.341 2.415 7.658) 9.644 15.768 ( -7.165 6.218 -1.342) 9.581 16.288 ( 6.319 -2.577 -12.634) 14.359 16.631 ( -0.170 -1.966 9.761) 9.958 16.806 ( 11.906 -2.975 3.175) 12.676 17.048 ( 14.615 -2.521 -2.882) 15.108 17.161 ( -0.864 -1.801 -4.798) 5.197 24.564 ( 0.140 0.055 3.254) 3.258 24.752 ( -0.401 -1.172 1.804) 2.188 24.810 ( 0.422 2.898 4.886) 5.697 24.881 ( -0.296 -0.350 -6.320) 6.337 25.103 ( -0.201 -0.077 3.596) 3.602 25.225 ( -0.075 -0.464 9.774) 9.785 25.568 ( -5.508 8.982 -4.679) 11.528 25.851 ( -4.218 3.321 -7.731) 9.412 27.315 ( -5.526 -0.461 2.479) 6.074 27.507 ( -1.642 -1.592 -1.312) 2.636 27.679 ( -5.162 -3.361 -2.217) 6.547 27.806 ( -4.136 -2.193 -2.183) 5.165 27.982 ( -1.576 2.608 9.383) 9.865 28.271 ( 7.762 3.730 4.224) 9.592 28.501 ( -6.074 -0.696 0.917) 6.182 29.311 ( 9.985 -11.025 -15.948) 21.808======================= Grid point 75 (29/60) =======================q-point: ( 0.38 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( 3.379 6.838 -0.581) 7.650 1.458 ( -0.102 5.343 -0.740) 5.395 1.671 ( 3.801 3.705 7.559) 9.236 1.835 ( 10.123 2.525 6.168) 12.120 2.016 ( 2.311 -0.325 -2.419) 3.361 2.047 ( 7.401 8.521 -0.198) 11.288 2.164 ( -0.370 3.214 -0.734) 3.318 2.265 ( 4.493 8.616 1.976) 9.916 2.317 ( -0.023 4.600 4.867) 6.697 2.559 ( -3.046 5.513 1.266) 6.424 2.769 ( -8.861 5.214 7.794) 12.901 2.896 ( -8.282 2.020 -0.102) 8.526 3.149 ( 0.442 1.673 -4.663) 4.973 3.215 ( 5.076 -0.094 -1.620) 5.329 3.446 ( 2.163 -2.363 -3.119) 4.471 3.488 ( 3.223 -2.361 -2.222) 4.572 3.559 ( -0.924 -3.901 1.837) 4.410 3.705 ( 2.036 -4.000 -0.417) 4.508 3.731 ( 3.264 -2.262 2.977) 4.963 3.780 ( 7.670 -2.229 -1.470) 8.121 3.901 ( 1.943 4.322 7.349) 8.744 3.953 ( 6.002 -0.908 -0.784) 6.120 3.990 ( 1.987 -3.867 2.044) 4.804 4.106 ( 0.118 2.526 -1.391) 2.886 4.256 ( 4.254 -2.347 -5.777) 7.548 4.390 ( -4.471 -1.576 3.211) 5.726 4.455 ( 2.479 1.501 -3.139) 4.272 4.520 ( 4.516 -1.134 3.790) 6.004 4.620 ( 16.792 2.191 5.601) 17.836 4.794 ( 7.568 6.126 0.480) 9.749 4.917 ( 0.289 1.434 1.058) 1.805 4.990 ( 1.587 0.535 -1.178) 2.047 5.194 ( 5.240 -1.384 -1.473) 5.617 5.289 ( 3.866 3.047 -2.972) 5.750 5.397 ( 12.725 0.623 -0.840) 12.768 5.793 ( 8.029 -6.459 -9.484) 14.005 6.823 ( 2.465 2.632 4.617) 5.858 7.026 ( -4.732 -2.578 3.572) 6.465 7.140 ( 0.317 5.046 3.887) 6.377 7.145 ( -1.707 3.738 -0.874) 4.201 7.280 ( -5.483 1.105 -2.369) 6.074 7.426 ( -2.894 -2.235 6.972) 7.873 7.701 ( -0.278 3.103 -6.386) 7.106 7.775 ( 0.425 -2.481 -2.937) 3.867 7.855 ( -3.228 -2.908 0.415) 4.365 7.892 ( -0.910 1.132 -0.234) 1.471 8.042 ( -0.845 0.851 1.713) 2.091 8.147 ( 0.474 1.102 -1.149) 1.661 8.357 ( -1.808 8.976 5.678) 10.774 8.668 ( 1.948 -6.116 6.889) 9.416 8.816 ( -2.142 4.431 -4.382) 6.590 9.129 ( -1.062 -10.018 3.393) 10.630 9.285 ( -1.896 -7.791 -3.744) 8.849 9.450 ( -5.458 -7.679 -3.088) 9.914 9.491 ( -4.655 -3.923 0.793) 6.140 10.014 ( 3.707 2.240 -8.069) 9.158 10.179 ( 1.240 1.734 5.074) 5.503 10.419 ( -1.771 1.178 1.838) 2.811 10.583 ( 1.506 1.746 -4.949) 5.459 10.707 ( -8.379 -1.521 4.315) 9.546 10.776 ( -0.565 3.326 -8.508) 9.152 11.068 ( -5.992 -3.260 -4.481) 8.161 11.224 ( 2.578 -21.042 4.624) 21.697 11.492 ( 1.183 -16.110 -3.473) 16.522 11.783 ( -1.678 1.340 6.181) 6.544 12.110 ( -4.604 -0.119 -3.394) 5.721 12.623 ( -2.871 -3.448 9.689) 10.678 12.940 ( -3.260 21.755 7.025) 23.092 13.333 ( 3.254 -4.966 -8.131) 10.067 13.611 ( -5.701 18.826 -9.496) 21.843 14.549 ( -3.284 -5.267 5.407) 8.232 15.110 ( -2.583 -5.267 -9.599) 11.250 15.262 ( -0.895 0.804 5.801) 5.925 15.443 ( 4.478 2.480 10.700) 11.861 15.617 ( -6.260 8.061 -0.083) 10.206 16.367 ( 1.698 1.306 -8.432) 8.700 16.632 ( 0.308 -0.579 7.511) 7.540 17.013 ( 7.030 -4.134 3.475) 8.865 17.141 ( -0.820 -1.611 -4.798) 5.128 17.292 ( 7.980 -2.945 -3.307) 9.127 24.567 ( 0.171 -0.105 2.665) 2.672 24.743 ( -0.324 -1.348 2.699) 3.034 24.828 ( 1.013 3.129 4.701) 5.738 24.877 ( -0.136 0.028 -6.999) 7.000 25.100 ( -0.099 -0.400 0.674) 0.791 25.221 ( -0.194 -0.309 9.492) 9.499 25.520 ( 0.656 5.162 -4.804) 7.082 25.734 ( -6.465 1.886 -6.376) 9.274 27.226 ( -2.911 -0.202 2.957) 4.154 27.488 ( -0.235 -2.281 -1.959) 3.016 27.569 ( -4.575 -2.868 -1.758) 5.678 27.727 ( -2.892 -2.406 -2.416) 4.470 27.960 ( -0.555 4.484 7.477) 8.736 28.310 ( -2.986 4.354 -3.093) 6.118 28.478 ( 3.379 1.277 10.443) 11.050 29.460 ( 4.411 -10.124 -14.127) 17.931======================= Grid point 76 (30/60) =======================q-point: (-0.50 0.14 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.427 ( 0.000 4.019 -0.598) 4.063 1.501 ( -0.000 9.383 -1.801) 9.554 1.706 ( 0.000 1.892 8.563) 8.769 1.946 ( 0.000 -1.341 2.560) 2.890 2.063 ( 0.000 -7.165 -3.781) 8.102 2.117 ( -0.000 10.008 0.963) 10.054 2.161 ( -0.000 -0.278 -1.443) 1.470 2.315 ( -0.000 8.391 -2.722) 8.822 2.381 ( -0.000 11.161 6.984) 13.166 2.552 ( -0.000 4.197 11.212) 11.972 2.590 ( 0.000 2.526 1.721) 3.057 2.777 ( 0.000 11.370 6.465) 13.080 3.169 ( 0.000 1.589 -6.492) 6.684 3.260 ( -0.000 -2.070 -2.327) 3.115 3.452 ( 0.000 -9.060 -3.114) 9.580 3.540 ( 0.000 -0.775 4.577) 4.642 3.544 ( 0.000 -1.273 -7.525) 7.632 3.727 ( 0.000 -4.235 0.441) 4.258 3.765 ( 0.000 -2.476 1.519) 2.905 3.858 ( -0.000 1.317 -5.654) 5.805 3.885 ( 0.000 1.700 4.503) 4.813 4.006 ( 0.000 -5.174 1.190) 5.309 4.080 ( 0.000 1.012 7.032) 7.104 4.107 ( 0.000 1.272 -1.161) 1.722 4.243 ( 0.000 0.741 -5.707) 5.754 4.341 ( 0.000 -3.075 6.489) 7.181 4.512 ( 0.000 3.000 -3.532) 4.634 4.560 ( 0.000 -4.638 1.336) 4.827 4.838 ( 0.000 1.852 5.132) 5.456 4.908 ( 0.000 0.506 0.908) 1.039 4.921 ( -0.000 9.624 3.686) 10.306 5.008 ( 0.000 1.137 -1.075) 1.565 5.251 ( 0.000 0.112 0.491) 0.503 5.316 ( 0.000 2.708 -5.957) 6.543 5.548 ( 0.000 1.149 -2.329) 2.598 5.887 ( 0.000 -6.101 -9.673) 11.436 6.881 ( 0.000 1.821 4.347) 4.713 6.940 ( -0.000 -2.044 3.651) 4.184 7.132 ( 0.000 5.334 3.817) 6.559 7.179 ( 0.000 4.993 -0.672) 5.038 7.182 ( -0.000 -1.795 -2.889) 3.401 7.392 ( 0.000 -2.455 7.727) 8.108 7.699 ( 0.000 2.714 -7.059) 7.563 7.792 ( 0.000 -3.382 -4.429) 5.572 7.811 ( 0.000 -3.161 1.793) 3.634 7.884 ( 0.000 -0.748 -0.432) 0.864 8.027 ( -0.000 1.246 2.327) 2.639 8.156 ( 0.000 2.217 -1.257) 2.549 8.336 ( 0.000 9.102 5.224) 10.494 8.685 ( 0.000 -5.880 4.868) 7.633 8.791 ( 0.000 2.541 -3.176) 4.067 9.106 ( 0.000 -11.252 3.958) 11.928 9.297 ( 0.000 -11.946 -8.082) 14.423 9.313 ( -0.000 -8.555 -1.505) 8.687 9.474 ( 0.000 6.542 5.133) 8.316 10.060 ( 0.000 1.348 -8.752) 8.855 10.189 ( 0.000 2.507 5.159) 5.736 10.404 ( 0.000 0.570 1.792) 1.881 10.599 ( -0.000 -0.522 5.132) 5.159 10.603 ( 0.000 3.086 -4.737) 5.653 10.774 ( 0.000 2.227 -8.838) 9.114 10.999 ( 0.000 -1.949 -4.641) 5.034 11.256 ( 0.000 -23.459 4.307) 23.851 11.503 ( 0.000 -16.479 -2.449) 16.660 11.766 ( 0.000 1.352 4.569) 4.765 12.064 ( 0.000 -2.237 -3.423) 4.089 12.591 ( 0.000 -3.533 10.344) 10.930 12.908 ( 0.000 22.771 7.315) 23.917 13.380 ( 0.000 -7.889 -10.106) 12.820 13.532 ( 0.000 21.395 -8.575) 23.049 14.515 ( 0.000 -4.851 5.409) 7.266 15.086 ( -0.000 -5.070 -10.047) 11.254 15.252 ( 0.000 0.805 4.741) 4.809 15.506 ( 0.000 1.394 14.304) 14.372 15.531 ( -0.000 9.555 -2.536) 9.885 16.382 ( 0.000 2.205 -6.024) 6.415 16.637 ( 0.000 0.195 5.777) 5.780 17.089 ( 0.000 -4.398 3.668) 5.727 17.131 ( 0.000 -1.501 -4.901) 5.126 17.377 ( 0.000 -2.971 -3.385) 4.504 24.569 ( -0.000 -0.161 2.287) 2.293 24.740 ( 0.000 -1.394 3.275) 3.559 24.841 ( 0.000 3.036 5.472) 6.258 24.875 ( 0.000 0.060 -8.079) 8.079 25.099 ( 0.000 -0.467 -0.283) 0.546 25.219 ( 0.000 -0.260 9.351) 9.354 25.564 ( 0.000 4.213 -7.241) 8.378 25.626 ( -0.000 1.307 -3.487) 3.724 27.195 ( 0.000 -0.139 3.108) 3.111 27.499 ( 0.000 -0.455 -5.923) 5.941 27.505 ( -0.000 -4.691 2.350) 5.247 27.696 ( 0.000 -2.358 -2.472) 3.416 27.955 ( 0.000 5.096 6.725) 8.438 28.271 ( 0.000 5.175 -2.500) 5.747 28.522 ( 0.000 1.074 10.591) 10.646 29.506 ( 0.000 -9.810 -13.548) 16.727======================= Grid point 81 (31/60) =======================q-point: ( 0.00 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.259 ( 0.000 14.394 14.967) 20.765 1.334 ( 0.000 25.494 8.879) 26.996 1.695 ( 0.000 -0.467 1.886) 1.943 1.920 ( 0.000 2.404 -4.865) 5.427 2.028 ( 0.000 18.255 -3.699) 18.626 2.128 ( 0.000 9.473 -4.679) 10.565 2.192 ( 0.000 9.917 -11.661) 15.308 2.288 ( 0.000 18.360 -3.296) 18.654 2.545 ( 0.000 22.369 12.822) 25.783 2.698 ( 0.000 -10.011 1.559) 10.132 2.744 ( 0.000 4.742 0.478) 4.766 2.886 ( 0.000 -0.835 -2.570) 2.702 2.900 ( 0.000 -2.412 -3.006) 3.855 2.980 ( 0.000 0.256 -6.593) 6.598 3.142 ( 0.000 5.346 -5.757) 7.857 3.202 ( 0.000 -3.844 3.598) 5.265 3.346 ( 0.000 -2.202 8.355) 8.641 3.362 ( 0.000 -7.122 6.482) 9.630 3.494 ( 0.000 -9.190 -2.527) 9.531 3.617 ( 0.000 -7.819 2.415) 8.184 3.676 ( 0.000 -3.261 9.002) 9.575 3.823 ( 0.000 -1.284 5.400) 5.550 3.832 ( 0.000 1.538 -1.209) 1.956 3.857 ( 0.000 9.178 -5.149) 10.523 4.000 ( 0.000 -3.414 13.566) 13.989 4.044 ( 0.000 -1.156 -0.585) 1.296 4.058 ( 0.000 -0.040 -0.020) 0.044 4.208 ( 0.000 0.697 2.813) 2.898 4.508 ( 0.000 -8.253 2.937) 8.760 4.538 ( 0.000 -6.781 -7.404) 10.040 4.708 ( 0.000 1.934 -1.715) 2.585 4.898 ( 0.000 -2.093 -7.797) 8.073 5.070 ( 0.000 -1.325 0.706) 1.502 5.150 ( 0.000 1.338 -1.179) 1.783 5.178 ( 0.000 -0.181 1.829) 1.838 5.218 ( 0.000 1.246 0.650) 1.405 7.124 ( 0.000 3.560 9.017) 9.694 7.130 ( 0.000 0.919 5.866) 5.937 7.225 ( 0.000 4.461 4.413) 6.275 7.430 ( 0.000 -1.025 -1.006) 1.437 7.470 ( 0.000 -1.052 2.926) 3.109 7.729 ( 0.000 -8.871 0.682) 8.897 7.735 ( 0.000 6.356 -6.784) 9.297 7.844 ( 0.000 3.939 1.358) 4.167 7.980 ( 0.000 7.580 -1.799) 7.791 8.011 ( 0.000 -0.965 0.540) 1.106 8.079 ( 0.000 -0.682 -1.721) 1.851 8.435 ( 0.000 1.930 2.346) 3.038 8.505 ( 0.000 -5.925 -12.938) 14.230 8.612 ( 0.000 2.893 -2.474) 3.807 8.852 ( 0.000 -8.671 4.991) 10.005 8.882 ( 0.000 16.995 4.791) 17.657 9.108 ( 0.000 -16.501 -1.866) 16.606 9.189 ( 0.000 11.025 -3.270) 11.500 9.631 ( 0.000 1.056 1.195) 1.595 9.874 ( 0.000 0.112 -6.751) 6.752 9.968 ( 0.000 -5.885 4.305) 7.292 10.288 ( 0.000 -16.960 5.369) 17.790 10.589 ( 0.000 -1.176 -11.373) 11.433 10.669 ( 0.000 0.668 -5.984) 6.021 10.886 ( 0.000 -4.465 3.276) 5.538 11.100 ( 0.000 -11.825 -3.066) 12.216 11.112 ( 0.000 -5.805 5.036) 7.685 11.335 ( 0.000 -9.463 -1.610) 9.599 12.035 ( 0.000 8.535 14.928) 17.196 12.665 ( 0.000 -5.772 5.106) 7.707 12.998 ( 0.000 3.080 -15.702) 16.002 13.088 ( 0.000 1.041 -5.187) 5.290 13.756 ( 0.000 17.142 10.642) 20.177 14.341 ( 0.000 21.023 -7.878) 22.450 14.715 ( 0.000 -11.224 6.164) 12.805 15.100 ( 0.000 -1.598 2.052) 2.601 15.249 ( 0.000 -5.511 12.933) 14.058 15.377 ( 0.000 -4.483 -4.804) 6.571 15.636 ( 0.000 1.423 -6.210) 6.371 15.941 ( 0.000 -5.008 -8.011) 9.447 16.431 ( 0.000 2.057 3.934) 4.439 16.622 ( 0.000 -2.466 8.250) 8.610 16.658 ( 0.000 7.762 -2.190) 8.065 17.113 ( 0.000 -4.353 -4.765) 6.454 24.578 ( 0.000 1.322 3.126) 3.394 24.730 ( 0.000 -2.267 1.816) 2.905 24.845 ( 0.000 1.376 -0.716) 1.551 24.867 ( 0.000 -0.903 -5.476) 5.550 25.135 ( 0.000 1.783 14.591) 14.699 25.217 ( 0.000 -0.051 10.711) 10.712 25.953 ( 0.000 5.602 -9.063) 10.654 26.263 ( 0.000 0.925 -19.453) 19.475 27.525 ( 0.000 -4.184 2.824) 5.048 27.540 ( 0.000 -3.884 5.651) 6.857 27.710 ( 0.000 -2.077 -2.116) 2.965 27.819 ( 0.000 -2.557 -3.074) 3.999 28.034 ( 0.000 1.702 14.550) 14.650 28.110 ( 0.000 4.304 3.757) 5.713 28.388 ( 0.000 10.069 -3.141) 10.547 28.884 ( 0.000 -7.065 -9.702) 12.002======================= Grid point 82 (32/60) =======================q-point: ( 0.12 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.308 ( 5.164 13.632 10.811) 18.149 1.481 ( 9.676 19.595 7.215) 23.014 1.732 ( 3.238 0.035 2.516) 4.101 1.898 ( -10.031 5.943 -7.282) 13.747 1.937 ( 1.564 2.410 -4.426) 5.277 2.138 ( 3.897 23.312 -0.399) 23.639 2.295 ( 2.720 3.657 -7.469) 8.750 2.330 ( 4.076 17.670 -2.713) 18.336 2.529 ( -1.400 17.340 9.741) 19.938 2.684 ( -1.336 -9.507 2.042) 9.815 2.831 ( 0.503 -1.016 -4.830) 4.962 2.910 ( 8.612 2.336 -2.369) 9.232 2.957 ( 8.074 4.441 -0.525) 9.230 3.075 ( 7.738 -1.768 -3.905) 8.846 3.194 ( 0.854 1.656 3.050) 3.574 3.246 ( 6.091 1.955 -3.076) 7.099 3.373 ( 0.171 -6.353 6.384) 9.008 3.407 ( 5.506 -3.259 7.113) 9.567 3.517 ( 1.848 -7.259 -0.313) 7.497 3.590 ( 0.392 -4.968 1.105) 5.105 3.751 ( 2.369 -4.563 0.178) 5.145 3.802 ( 2.280 -0.456 7.447) 7.801 3.853 ( -0.397 3.828 -0.431) 3.873 3.938 ( 9.516 2.476 4.822) 10.952 4.017 ( 3.735 1.058 4.396) 5.865 4.099 ( 3.263 1.477 1.155) 3.763 4.187 ( 9.402 -3.694 0.778) 10.132 4.243 ( 2.906 1.050 1.024) 3.255 4.552 ( 3.852 -3.194 -1.583) 5.248 4.602 ( 7.306 -8.738 -2.827) 11.736 4.696 ( -1.676 -0.056 -2.604) 3.098 4.903 ( 1.000 -1.543 -7.434) 7.658 5.027 ( -2.270 2.379 1.527) 3.626 5.071 ( -2.336 2.526 1.426) 3.725 5.213 ( 1.703 0.315 1.277) 2.152 5.330 ( 6.506 -3.864 -2.136) 7.863 7.006 ( -6.269 4.759 6.945) 10.497 7.121 ( -1.484 -0.273 5.273) 5.485 7.304 ( 2.990 5.021 4.932) 7.647 7.417 ( -1.275 -0.225 -1.118) 1.711 7.451 ( -1.769 0.786 1.731) 2.597 7.567 ( -9.365 0.059 -1.286) 9.453 7.778 ( -0.537 0.632 -2.345) 2.487 7.864 ( 1.132 0.572 -0.049) 1.269 7.930 ( -3.463 5.051 -3.248) 6.932 8.003 ( -1.976 -2.082 -2.036) 3.519 8.062 ( -1.960 0.599 0.912) 2.244 8.250 ( -7.365 3.720 -2.819) 8.719 8.460 ( 1.694 0.363 3.710) 4.094 8.776 ( -3.442 8.251 5.252) 10.369 8.841 ( 6.707 -4.619 -6.139) 10.199 8.979 ( 3.794 -1.246 2.094) 4.509 9.115 ( 0.531 -16.744 -1.432) 16.814 9.224 ( 3.167 6.273 -5.871) 9.157 9.607 ( -1.473 2.903 2.252) 3.958 9.913 ( 3.393 0.560 -5.923) 6.849 10.012 ( 3.511 -5.361 4.419) 7.785 10.307 ( 1.696 -16.136 4.302) 16.786 10.563 ( -0.447 -0.712 -8.079) 8.122 10.728 ( 2.788 -1.034 -8.435) 8.944 10.852 ( -2.594 -5.727 2.929) 6.936 11.033 ( -5.529 -9.225 1.293) 10.832 11.087 ( -2.673 -10.129 0.542) 10.490 11.286 ( -4.550 -8.582 -2.001) 9.918 12.011 ( -2.062 9.160 12.883) 15.942 12.631 ( -3.470 -4.188 3.615) 6.530 12.816 ( -13.164 6.104 -8.233) 16.684 13.120 ( 1.557 -1.594 -5.716) 6.134 13.644 ( -8.036 19.166 8.660) 22.515 14.261 ( -5.758 19.414 -9.562) 22.394 14.631 ( -7.053 -11.180 6.655) 14.799 15.134 ( 1.136 -4.128 -0.947) 4.385 15.281 ( 2.605 -1.060 9.971) 10.360 15.319 ( -4.530 -5.011 0.378) 6.766 15.824 ( 14.278 1.625 -5.506) 15.389 16.027 ( 5.659 -2.493 -9.199) 11.084 16.513 ( 6.853 -0.088 3.993) 7.932 16.623 ( 0.547 -1.808 7.978) 8.199 16.756 ( 9.157 3.704 -2.202) 10.120 17.111 ( -0.211 -4.195 -4.738) 6.332 24.576 ( -0.139 1.242 3.164) 3.402 24.725 ( -0.405 -2.267 1.860) 2.960 24.851 ( 0.513 1.568 -0.972) 1.915 24.870 ( 0.303 -0.572 -5.436) 5.474 25.129 ( -0.548 1.735 12.509) 12.641 25.217 ( 0.008 -0.240 10.714) 10.716 25.904 ( -5.162 5.739 -8.567) 11.532 26.107 ( -10.786 4.506 -13.698) 18.008 27.426 ( -6.019 -1.332 3.147) 6.922 27.509 ( -3.382 -3.778 3.548) 6.188 27.691 ( -1.925 -2.180 -3.847) 4.822 27.806 ( -2.518 -4.785 -2.936) 6.153 28.052 ( 1.210 3.415 11.695) 12.243 28.187 ( 6.562 3.485 4.972) 8.941 28.504 ( 6.086 3.648 -3.185) 7.778 28.915 ( 4.412 -7.155 -9.981) 13.049======================= Grid point 83 (33/60) =======================q-point: ( 0.25 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.450 ( 7.512 9.866 4.158) 13.079 1.626 ( 1.427 7.678 0.601) 7.833 1.717 ( -3.247 7.399 -2.532) 8.468 1.818 ( 3.772 3.247 4.621) 6.791 1.980 ( 2.132 1.994 -3.717) 4.726 2.211 ( 2.279 16.791 -0.852) 16.966 2.285 ( -1.585 5.200 -1.335) 5.598 2.426 ( 3.609 11.940 -3.200) 12.877 2.493 ( -1.137 10.787 6.770) 12.786 2.661 ( -1.003 -0.716 4.589) 4.751 2.821 ( 1.847 -4.665 -6.857) 8.497 3.041 ( -2.060 1.233 4.498) 5.099 3.156 ( 5.200 0.329 -6.843) 8.600 3.192 ( 3.499 0.951 0.633) 3.680 3.293 ( 3.356 -2.313 1.835) 4.470 3.365 ( 5.398 -0.468 -1.412) 5.600 3.410 ( 7.798 -3.172 3.472) 9.106 3.546 ( 5.479 -1.185 6.714) 8.746 3.566 ( 4.758 -1.340 1.805) 5.263 3.634 ( 3.345 -2.675 -1.539) 4.551 3.827 ( 0.276 -6.514 4.289) 7.804 3.835 ( 6.682 2.545 0.887) 7.205 3.916 ( 4.632 2.725 1.720) 5.643 4.107 ( 5.586 2.567 -2.961) 6.824 4.157 ( 3.431 2.678 0.161) 4.356 4.252 ( 13.602 -1.132 5.001) 14.536 4.336 ( 7.087 1.543 3.042) 7.865 4.360 ( 6.867 -2.517 1.080) 7.393 4.609 ( -3.682 3.488 -4.711) 6.922 4.683 ( 8.136 -0.305 -1.353) 8.253 4.847 ( 12.310 -5.776 -1.298) 13.660 4.951 ( 1.321 1.518 -1.391) 2.446 5.044 ( 4.691 1.533 0.250) 4.942 5.098 ( 7.456 1.239 0.101) 7.559 5.265 ( 3.561 0.203 1.012) 3.707 5.464 ( 6.820 -7.086 -4.360) 10.757 6.908 ( -2.777 4.846 5.068) 7.542 7.069 ( -3.494 -1.349 4.486) 5.845 7.303 ( -2.867 6.129 1.574) 6.947 7.338 ( -6.737 5.137 -2.682) 8.887 7.387 ( -2.448 0.618 -0.601) 2.595 7.446 ( -2.224 -1.778 4.997) 5.751 7.738 ( -2.435 -1.616 -2.340) 3.744 7.834 ( -5.668 -0.834 -3.284) 6.603 7.851 ( -2.683 0.219 -1.082) 2.901 7.929 ( -2.416 -0.498 -1.607) 2.944 8.061 ( 1.194 0.791 2.028) 2.483 8.199 ( -0.304 3.789 -1.601) 4.125 8.493 ( 1.403 -1.263 5.002) 5.346 8.717 ( -2.173 11.889 5.701) 13.363 8.900 ( -0.132 -5.642 -3.258) 6.516 8.996 ( -1.536 -0.231 0.022) 1.553 9.116 ( -0.492 -14.587 -1.536) 14.675 9.256 ( -1.100 -1.723 -7.605) 7.875 9.595 ( 0.400 6.406 4.516) 7.848 9.996 ( 4.025 1.687 -4.352) 6.164 10.092 ( 3.657 -4.802 4.890) 7.768 10.356 ( 2.758 -14.861 2.017) 15.248 10.572 ( 0.354 0.030 -6.332) 6.342 10.711 ( -3.469 -8.984 -2.649) 9.988 10.814 ( -3.110 -1.840 -1.404) 3.876 10.903 ( -4.429 -7.565 0.853) 8.808 11.019 ( -3.183 -16.478 -1.703) 16.869 11.158 ( -6.975 -7.310 -2.467) 10.401 11.961 ( -2.410 9.875 8.937) 13.535 12.478 ( -10.444 10.767 -5.225) 15.884 12.605 ( -5.549 -4.433 6.450) 9.594 13.143 ( 0.687 -6.341 -6.676) 9.233 13.492 ( -5.728 20.490 7.009) 22.401 14.139 ( -5.655 18.548 -10.484) 22.043 14.481 ( -6.126 -10.404 6.050) 13.504 15.046 ( -5.980 -9.409 -9.444) 14.611 15.305 ( 0.142 1.414 9.972) 10.073 15.374 ( 5.883 1.620 10.826) 12.427 15.927 ( -2.611 8.258 -5.135) 10.069 16.235 ( 10.941 -2.309 -10.906) 15.620 16.600 ( 1.057 -0.724 8.560) 8.656 16.731 ( 9.119 -3.830 3.985) 10.663 16.999 ( 12.151 -1.839 -3.024) 12.656 17.104 ( -0.404 -3.495 -4.672) 5.848 24.574 ( -0.110 1.013 3.137) 3.299 24.714 ( -0.566 -2.301 2.165) 3.209 24.865 ( 0.727 1.323 -2.936) 3.301 24.879 ( 0.593 0.556 -3.772) 3.858 25.115 ( -0.683 1.470 8.486) 8.639 25.216 ( -0.147 -0.535 10.367) 10.382 25.746 ( -7.794 7.277 -6.566) 12.523 25.923 ( -7.172 2.698 -9.251) 12.013 27.307 ( -4.964 -0.203 3.092) 5.852 27.442 ( -2.631 -4.129 2.345) 5.429 27.617 ( -4.586 -2.294 -4.245) 6.657 27.729 ( -4.078 -4.814 -2.977) 6.976 28.077 ( 1.169 6.372 8.371) 10.585 28.341 ( 7.048 1.975 5.449) 9.125 28.531 ( -2.062 4.193 -2.300) 5.208 29.070 ( 8.169 -11.043 -10.135) 17.070======================= Grid point 84 (34/60) =======================q-point: ( 0.38 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( -2.650 5.809 -2.099) 6.721 1.599 ( 5.939 6.694 -1.805) 9.129 1.753 ( 1.682 3.571 1.084) 4.094 1.871 ( 1.182 -0.369 3.097) 3.335 2.004 ( -0.256 1.529 -2.789) 3.191 2.195 ( -0.746 3.763 -2.388) 4.519 2.336 ( 2.931 14.344 0.071) 14.640 2.455 ( 1.435 2.744 1.483) 3.433 2.521 ( 3.325 11.634 4.801) 13.017 2.655 ( 0.604 8.426 5.795) 10.244 2.885 ( -3.283 4.907 2.558) 6.434 2.917 ( -1.529 0.028 1.276) 1.991 3.165 ( -1.726 -1.900 0.680) 2.656 3.246 ( 1.586 1.492 -4.615) 5.102 3.268 ( -2.956 -8.654 -1.691) 9.300 3.470 ( 3.406 -0.739 -2.870) 4.514 3.511 ( 1.335 -3.763 2.101) 4.511 3.617 ( 2.385 -1.566 5.617) 6.300 3.688 ( 2.537 -2.220 0.888) 3.486 3.766 ( 8.236 0.226 -3.055) 8.787 3.824 ( 0.774 -8.389 3.297) 9.047 3.950 ( 0.114 1.096 -3.689) 3.850 4.038 ( 8.701 5.857 8.382) 13.426 4.148 ( -1.467 1.250 -2.787) 3.389 4.221 ( 2.586 -1.059 -4.465) 5.267 4.353 ( -2.603 -2.028 3.663) 4.930 4.467 ( 3.648 0.515 -1.777) 4.090 4.514 ( 4.525 -0.403 2.739) 5.305 4.732 ( 14.541 8.538 2.142) 16.998 4.889 ( 7.345 2.791 0.113) 7.859 4.976 ( 4.305 3.161 1.896) 5.667 5.011 ( 3.909 2.323 -0.392) 4.564 5.162 ( 5.354 -1.730 -0.095) 5.627 5.337 ( 7.412 0.738 -3.162) 8.092 5.387 ( 10.198 -1.789 1.274) 10.432 5.639 ( 8.894 -7.431 -5.606) 12.874 6.885 ( 0.278 2.929 3.776) 4.787 6.981 ( -4.398 -1.378 4.018) 6.114 7.198 ( -4.105 2.576 -3.860) 6.196 7.260 ( -2.752 2.774 -0.969) 4.026 7.338 ( -1.629 3.149 3.002) 4.645 7.392 ( -2.892 0.694 4.773) 5.623 7.700 ( -0.937 -3.170 -2.617) 4.216 7.732 ( -3.314 -4.344 -2.806) 6.142 7.780 ( -3.167 -3.020 0.640) 4.422 7.900 ( -0.918 4.071 -3.230) 5.277 8.066 ( -0.890 0.419 1.960) 2.193 8.194 ( -0.164 2.625 -1.392) 2.976 8.522 ( 1.279 -1.449 4.665) 5.050 8.686 ( -0.710 14.953 5.545) 15.964 8.863 ( -2.470 -7.749 -1.332) 8.241 8.924 ( -4.946 -3.008 -0.307) 5.797 9.100 ( -0.742 -12.270 -2.468) 12.538 9.209 ( -2.089 2.959 -6.666) 7.586 9.610 ( 0.650 7.551 5.966) 9.645 10.070 ( 2.705 1.972 -3.792) 5.058 10.154 ( 1.954 -4.626 5.295) 7.298 10.407 ( 1.562 -9.271 0.179) 9.403 10.543 ( -2.195 -9.223 -5.163) 10.795 10.665 ( -3.493 -3.219 1.045) 4.864 10.704 ( -1.251 -7.055 -0.357) 7.174 10.856 ( -2.826 -3.611 -2.267) 5.115 10.974 ( -0.872 -18.275 -3.777) 18.682 11.029 ( -4.320 -9.900 -2.681) 11.130 11.919 ( -1.425 9.820 5.759) 11.473 12.295 ( -6.137 13.667 -4.137) 15.542 12.518 ( -2.962 -6.396 7.915) 10.599 13.153 ( 0.367 -10.559 -8.165) 13.353 13.408 ( -2.445 21.058 6.735) 22.244 14.030 ( -4.190 19.661 -9.531) 22.248 14.390 ( -2.522 -9.734 5.587) 11.504 14.958 ( -2.364 -9.182 -10.203) 13.928 15.296 ( -0.693 2.562 8.398) 8.807 15.479 ( 3.574 0.329 13.848) 14.305 15.844 ( -3.934 12.926 -5.102) 14.443 16.391 ( 4.035 0.226 -9.528) 10.349 16.626 ( 1.380 0.327 7.421) 7.555 16.901 ( 6.059 -6.182 4.116) 9.585 17.096 ( -0.235 -2.195 -4.578) 5.082 17.213 ( 7.384 -4.263 -3.557) 9.239 24.572 ( -0.009 0.739 2.877) 2.971 24.704 ( -0.402 -2.352 2.836) 3.706 24.876 ( 0.323 0.540 -6.642) 6.671 24.895 ( 0.722 1.837 -0.004) 1.973 25.103 ( -0.394 1.065 5.173) 5.296 25.211 ( -0.211 -0.724 9.736) 9.765 25.638 ( -2.068 5.390 -5.385) 7.895 25.775 ( -6.771 1.552 -7.224) 10.022 27.224 ( -2.720 0.203 3.210) 4.212 27.401 ( -1.238 -5.193 2.574) 5.927 27.526 ( -3.470 -1.163 -4.471) 5.778 27.655 ( -2.570 -4.186 -3.037) 5.775 28.099 ( 0.756 8.300 6.300) 10.448 28.440 ( 0.727 6.505 -1.034) 6.626 28.498 ( 1.055 1.474 5.432) 5.726 29.203 ( 4.167 -13.344 -9.875) 17.116======================= Grid point 85 (35/60) =======================q-point: (-0.50 0.29 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( 0.000 5.890 -1.206) 6.012 1.679 ( -0.000 6.448 -5.718) 8.618 1.755 ( 0.000 2.361 3.063) 3.867 1.883 ( 0.000 -4.662 0.695) 4.713 1.993 ( 0.000 1.338 -1.942) 2.358 2.199 ( 0.000 4.670 -2.084) 5.114 2.347 ( -0.000 8.708 0.493) 8.722 2.487 ( -0.000 4.446 -0.293) 4.456 2.623 ( -0.000 4.489 3.476) 5.677 2.679 ( -0.000 7.123 8.994) 11.473 2.714 ( 0.000 19.104 8.226) 20.799 2.961 ( 0.000 5.164 2.836) 5.892 3.170 ( 0.000 -12.271 -6.469) 13.872 3.192 ( 0.000 0.032 -0.037) 0.048 3.270 ( 0.000 -2.048 -3.922) 4.424 3.505 ( 0.000 -1.826 -3.015) 3.525 3.523 ( 0.000 -2.379 2.266) 3.285 3.640 ( 0.000 -1.268 5.697) 5.836 3.712 ( 0.000 -2.422 -0.036) 2.422 3.827 ( 0.000 -11.333 1.601) 11.445 3.908 ( -0.000 2.783 -6.135) 6.737 3.909 ( 0.000 1.402 -0.305) 1.435 4.125 ( -0.000 0.422 -3.976) 3.998 4.144 ( 0.000 2.953 8.008) 8.535 4.256 ( -0.000 0.633 -4.617) 4.661 4.291 ( 0.000 -1.420 6.546) 6.698 4.513 ( 0.000 -0.327 0.082) 0.337 4.550 ( 0.000 0.419 -1.018) 1.101 4.906 ( 0.000 4.152 1.055) 4.284 4.946 ( 0.000 3.601 1.925) 4.083 5.052 ( 0.000 3.738 0.951) 3.857 5.062 ( -0.000 2.915 3.813) 4.799 5.242 ( -0.000 -1.256 -0.336) 1.300 5.401 ( 0.000 5.237 -4.996) 7.238 5.532 ( 0.000 -3.604 0.807) 3.694 5.748 ( 0.000 -6.177 -5.515) 8.280 6.907 ( 0.000 -0.690 2.879) 2.961 6.910 ( -0.000 1.013 4.630) 4.739 7.156 ( 0.000 -0.154 -3.525) 3.529 7.221 ( -0.000 2.515 -4.470) 5.129 7.337 ( -0.000 -2.315 5.832) 6.274 7.342 ( 0.000 7.917 5.092) 9.413 7.696 ( -0.000 -5.257 -4.046) 6.634 7.697 ( 0.000 -5.017 -1.730) 5.307 7.741 ( 0.000 -2.369 1.000) 2.571 7.889 ( 0.000 4.913 -3.636) 6.113 8.049 ( 0.000 0.260 2.229) 2.244 8.194 ( 0.000 1.009 -1.512) 1.818 8.537 ( 0.000 -1.393 4.207) 4.432 8.681 ( 0.000 17.986 4.948) 18.654 8.838 ( -0.000 -1.078 -3.265) 3.439 8.847 ( 0.000 -12.900 3.132) 13.275 9.092 ( 0.000 -11.469 -2.865) 11.821 9.189 ( 0.000 6.622 -6.165) 9.047 9.617 ( 0.000 7.413 6.299) 9.728 10.101 ( 0.000 1.664 -3.934) 4.272 10.172 ( 0.000 -4.721 5.527) 7.269 10.415 ( 0.000 -2.021 -1.027) 2.267 10.531 ( 0.000 -20.016 -4.797) 20.583 10.598 ( -0.000 0.222 4.309) 4.315 10.737 ( -0.000 -5.641 -7.059) 9.036 10.795 ( 0.000 -6.242 2.700) 6.801 10.972 ( -0.000 -1.087 -5.567) 5.673 10.983 ( 0.000 -26.382 -1.859) 26.447 11.904 ( 0.000 9.634 4.526) 10.644 12.229 ( 0.000 13.679 -3.589) 14.141 12.486 ( 0.000 -6.437 8.192) 10.418 13.158 ( 0.000 -12.781 -8.857) 15.550 13.383 ( 0.000 21.603 6.627) 22.597 13.982 ( 0.000 20.594 -8.833) 22.408 14.365 ( 0.000 -9.402 5.508) 10.896 14.936 ( -0.000 -9.280 -10.459) 13.982 15.287 ( 0.000 2.778 7.699) 8.185 15.518 ( -0.000 -0.796 15.218) 15.239 15.797 ( -0.000 14.970 -5.447) 15.930 16.429 ( 0.000 1.374 -7.947) 8.065 16.643 ( 0.000 0.514 5.835) 5.858 16.967 ( 0.000 -6.865 4.310) 8.106 17.094 ( 0.000 -1.420 -4.562) 4.778 17.293 ( 0.000 -4.826 -3.702) 6.083 24.572 ( -0.000 0.616 2.669) 2.739 24.699 ( 0.000 -2.371 3.259) 4.030 24.880 ( -0.000 0.432 -7.442) 7.454 24.903 ( 0.000 2.065 0.953) 2.274 25.099 ( 0.000 0.875 3.889) 3.986 25.209 ( 0.000 -0.798 9.393) 9.427 25.655 ( 0.000 3.757 -7.244) 8.160 25.661 ( -0.000 1.900 -4.285) 4.688 27.195 ( 0.000 0.336 3.217) 3.235 27.389 ( 0.000 -5.803 3.004) 6.535 27.487 ( 0.000 -0.386 -4.814) 4.829 27.628 ( 0.000 -3.905 -3.027) 4.940 28.107 ( 0.000 8.942 5.592) 10.547 28.430 ( 0.000 9.821 -3.065) 10.288 28.526 ( 0.000 -1.210 7.934) 8.026 29.247 ( 0.000 -13.955 -9.723) 17.008======================= Grid point 90 (36/60) =======================q-point: ( 0.00 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.508 ( 0.000 9.166 5.055) 10.468 1.640 ( 0.000 -3.258 0.657) 3.323 1.837 ( 0.000 17.235 2.779) 17.458 2.000 ( 0.000 8.417 -3.785) 9.229 2.012 ( 0.000 -4.897 -8.247) 9.591 2.319 ( 0.000 -13.451 3.372) 13.867 2.435 ( 0.000 12.145 -7.019) 14.027 2.594 ( 0.000 9.105 -2.683) 9.492 2.615 ( 0.000 9.515 -2.463) 9.829 2.798 ( 0.000 -1.485 -9.300) 9.418 2.823 ( 0.000 1.802 -3.808) 4.213 2.842 ( 0.000 -4.803 -2.911) 5.616 2.925 ( 0.000 10.533 5.337) 11.808 2.973 ( 0.000 0.520 -2.849) 2.896 3.080 ( 0.000 -7.051 -0.051) 7.052 3.135 ( 0.000 -13.096 0.105) 13.097 3.284 ( 0.000 1.309 7.057) 7.178 3.347 ( 0.000 -4.866 6.164) 7.854 3.472 ( 0.000 13.095 4.512) 13.851 3.514 ( 0.000 -1.152 7.985) 8.067 3.619 ( 0.000 3.327 6.137) 6.981 3.799 ( 0.000 -2.420 6.104) 6.566 3.893 ( 0.000 0.197 3.358) 3.364 3.914 ( 0.000 4.499 9.472) 10.487 3.957 ( 0.000 -5.712 1.095) 5.816 4.058 ( 0.000 -4.567 -2.349) 5.136 4.114 ( 0.000 7.225 -4.861) 8.708 4.226 ( 0.000 -10.514 6.138) 12.175 4.248 ( 0.000 4.266 0.934) 4.367 4.402 ( 0.000 -7.947 -3.440) 8.659 4.795 ( 0.000 3.954 -7.062) 8.094 4.853 ( 0.000 -2.013 -9.447) 9.659 5.092 ( 0.000 2.574 2.950) 3.915 5.149 ( 0.000 -2.384 2.552) 3.492 5.187 ( 0.000 2.009 -0.686) 2.123 5.222 ( 0.000 -0.933 0.126) 0.941 7.151 ( 0.000 1.036 5.792) 5.884 7.162 ( 0.000 0.324 7.828) 7.835 7.321 ( 0.000 4.519 4.352) 6.273 7.413 ( 0.000 -3.941 5.305) 6.609 7.448 ( 0.000 2.875 -0.873) 3.004 7.553 ( 0.000 -7.168 -1.870) 7.407 7.858 ( 0.000 5.318 -6.399) 8.320 7.951 ( 0.000 5.858 0.876) 5.924 7.955 ( 0.000 -3.897 -5.402) 6.661 8.051 ( 0.000 -2.959 1.063) 3.144 8.142 ( 0.000 8.274 -3.268) 8.896 8.333 ( 0.000 -9.603 -6.503) 11.597 8.504 ( 0.000 4.938 2.618) 5.589 8.653 ( 0.000 -9.180 2.886) 9.623 8.691 ( 0.000 4.913 -2.348) 5.445 8.834 ( 0.000 -9.365 -2.658) 9.735 9.304 ( 0.000 22.236 3.019) 22.439 9.484 ( 0.000 16.285 -2.568) 16.486 9.671 ( 0.000 0.332 0.811) 0.876 9.744 ( 0.000 -13.106 -2.346) 13.315 9.839 ( 0.000 -5.807 5.524) 8.015 9.897 ( 0.000 -17.024 6.303) 18.154 10.572 ( 0.000 -0.004 -12.192) 12.192 10.615 ( 0.000 -4.237 -10.766) 11.570 10.880 ( 0.000 3.260 3.815) 5.018 10.984 ( 0.000 -6.004 4.552) 7.534 10.997 ( 0.000 2.688 -0.559) 2.745 11.135 ( 0.000 -9.003 -0.676) 9.028 12.271 ( 0.000 12.261 9.978) 15.808 12.505 ( 0.000 -9.581 7.096) 11.923 13.058 ( 0.000 2.454 -11.213) 11.479 13.092 ( 0.000 -0.731 -7.615) 7.650 14.113 ( 0.000 16.578 9.177) 18.948 14.441 ( 0.000 -14.651 7.429) 16.427 14.743 ( 0.000 16.885 -9.338) 19.295 15.014 ( 0.000 -8.125 -6.438) 10.366 15.195 ( 0.000 -0.081 10.298) 10.298 15.248 ( 0.000 -5.488 4.644) 7.189 15.714 ( 0.000 5.194 -6.219) 8.103 15.830 ( 0.000 -5.583 -7.552) 9.392 16.488 ( 0.000 3.240 5.228) 6.151 16.559 ( 0.000 -3.388 6.748) 7.551 16.832 ( 0.000 8.414 -3.667) 9.178 16.994 ( 0.000 -6.878 -4.489) 8.213 24.618 ( 0.000 2.430 2.628) 3.579 24.675 ( 0.000 -2.831 2.181) 3.574 24.858 ( 0.000 0.047 -4.972) 4.972 24.861 ( 0.000 0.077 -4.114) 4.114 25.178 ( 0.000 1.964 14.534) 14.666 25.208 ( 0.000 -0.867 12.492) 12.522 26.082 ( 0.000 6.482 -11.189) 12.931 26.209 ( 0.000 -5.091 -14.289) 15.168 27.470 ( 0.000 -1.074 3.745) 3.896 27.479 ( 0.000 -1.803 4.787) 5.115 27.702 ( 0.000 1.181 -2.612) 2.866 27.752 ( 0.000 -3.282 -3.273) 4.635 28.107 ( 0.000 3.805 9.191) 9.947 28.154 ( 0.000 -0.184 5.784) 5.787 28.579 ( 0.000 8.175 -4.832) 9.496 28.736 ( 0.000 -7.049 -7.074) 9.987======================= Grid point 91 (37/60) =======================q-point: ( 0.12 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.543 ( 3.239 8.740 3.608) 9.995 1.671 ( 2.692 -3.280 0.323) 4.256 1.861 ( 0.239 9.382 -0.056) 9.385 1.927 ( -5.077 0.031 -6.099) 7.935 2.066 ( 3.858 10.853 -1.428) 11.607 2.363 ( 0.033 -8.073 1.160) 8.156 2.441 ( 1.771 2.410 -3.999) 4.994 2.577 ( -1.591 0.390 -1.677) 2.344 2.598 ( -0.044 16.749 -2.952) 17.008 2.747 ( -1.725 1.735 -5.565) 6.079 2.807 ( -1.256 2.735 0.383) 3.034 2.923 ( 6.098 -4.129 -4.035) 8.397 3.010 ( 6.033 2.751 1.410) 6.779 3.048 ( 5.740 1.706 -2.194) 6.378 3.130 ( 4.419 -5.673 -0.173) 7.193 3.193 ( 5.323 -9.133 -0.719) 10.595 3.348 ( 5.399 0.357 7.623) 9.348 3.375 ( 1.534 -3.072 6.737) 7.562 3.480 ( 1.461 5.401 4.383) 7.108 3.586 ( 8.335 0.390 3.643) 9.105 3.650 ( 1.243 3.767 3.291) 5.154 3.783 ( -0.482 -2.401 5.400) 5.929 3.910 ( 2.437 2.602 10.488) 11.078 4.005 ( 6.902 -1.193 5.606) 8.971 4.067 ( 9.492 1.813 0.295) 9.668 4.120 ( 2.983 3.312 -3.039) 5.394 4.170 ( 5.287 2.285 -3.581) 6.782 4.285 ( 4.077 0.698 1.716) 4.478 4.343 ( 12.211 -8.842 2.093) 15.221 4.448 ( 4.743 -7.005 -2.779) 8.904 4.772 ( -1.646 4.921 -6.718) 8.489 4.861 ( 1.084 -3.006 -7.761) 8.393 5.087 ( -0.257 3.237 2.702) 4.225 5.125 ( -1.303 1.118 2.947) 3.411 5.205 ( 1.355 0.014 -0.203) 1.370 5.252 ( 2.514 -3.496 -0.874) 4.394 7.086 ( -4.809 2.624 6.576) 8.558 7.116 ( -2.967 -0.466 5.519) 6.283 7.373 ( 2.213 2.454 3.326) 4.688 7.424 ( 0.165 -2.235 5.235) 5.695 7.443 ( -0.314 2.276 -0.228) 2.309 7.517 ( -3.243 -4.308 -3.065) 6.203 7.827 ( -3.593 4.074 -5.522) 7.746 7.911 ( -3.771 0.851 -2.163) 4.429 7.931 ( -3.332 -0.052 -2.843) 4.380 8.017 ( -1.958 -1.652 1.570) 3.005 8.107 ( -2.666 6.026 -2.964) 7.225 8.242 ( -4.088 -4.795 -3.940) 7.431 8.505 ( -0.091 4.050 3.486) 5.345 8.640 ( -0.695 -8.745 2.890) 9.236 8.780 ( 5.080 -1.150 -3.257) 6.143 8.856 ( 1.757 -7.779 -3.318) 8.637 9.296 ( -0.818 22.729 3.300) 22.982 9.500 ( 1.146 16.740 -3.239) 17.089 9.698 ( 2.241 4.149 1.522) 4.955 9.762 ( 1.963 -17.245 -0.582) 17.366 9.877 ( 2.735 -7.651 4.622) 9.347 9.924 ( 2.323 -15.299 5.030) 16.271 10.552 ( -1.072 0.184 -10.202) 10.259 10.612 ( -0.946 -6.620 -10.631) 12.559 10.831 ( -4.370 2.942 3.759) 6.471 10.914 ( -5.139 -3.165 2.934) 6.711 10.991 ( -1.661 0.821 0.096) 1.856 11.105 ( -2.843 -8.020 -1.463) 8.634 12.249 ( -1.981 12.101 9.137) 15.292 12.480 ( -2.267 -9.481 6.911) 11.950 12.955 ( -8.356 6.191 -9.329) 13.971 13.062 ( -3.072 -3.954 -7.535) 9.047 14.025 ( -6.701 17.044 7.863) 19.930 14.353 ( -6.759 -14.048 6.839) 17.023 14.649 ( -6.911 16.237 -9.780) 20.176 14.952 ( -6.238 -12.310 -9.667) 16.849 15.264 ( 4.666 -0.143 11.105) 12.047 15.273 ( 4.261 -0.804 9.588) 10.523 15.887 ( 13.163 3.832 -7.067) 15.424 15.966 ( 9.521 -3.499 -8.398) 13.168 16.530 ( 3.753 1.682 5.202) 6.631 16.576 ( 1.730 -2.443 6.627) 7.272 16.866 ( 3.547 6.337 -3.503) 8.063 17.001 ( 0.687 -6.127 -4.384) 7.565 24.615 ( -0.283 2.370 2.710) 3.611 24.671 ( -0.373 -2.800 2.265) 3.620 24.863 ( 0.486 0.236 -5.056) 5.085 24.869 ( 0.700 -0.066 -4.458) 4.513 25.172 ( -0.508 2.069 13.574) 13.740 25.205 ( -0.269 -1.008 12.123) 12.168 26.023 ( -5.452 5.446 -10.291) 12.856 26.116 ( -7.740 -2.791 -12.315) 14.810 27.412 ( -4.407 0.218 3.813) 5.832 27.440 ( -3.442 -2.456 4.164) 5.935 27.669 ( -2.893 0.462 -3.364) 4.461 27.713 ( -3.329 -3.607 -3.168) 5.843 28.148 ( 3.266 4.642 8.281) 10.040 28.213 ( 4.931 -1.103 6.069) 7.897 28.626 ( 3.138 6.833 -4.889) 8.969 28.769 ( 3.205 -6.823 -6.974) 10.270======================= Grid point 92 (38/60) =======================q-point: ( 0.25 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.631 ( 4.552 7.058 0.244) 8.402 1.733 ( 2.325 -1.765 -1.095) 3.118 1.786 ( -5.161 4.712 -2.991) 7.602 1.858 ( -2.092 -1.264 -1.873) 3.079 2.125 ( 0.972 10.611 0.284) 10.659 2.302 ( -3.372 -1.302 0.473) 3.646 2.441 ( -2.218 -1.839 -2.761) 3.991 2.545 ( -0.387 -1.441 -3.739) 4.026 2.667 ( 4.510 13.397 -0.335) 14.140 2.763 ( 2.788 5.395 -4.111) 7.334 2.821 ( 1.956 4.565 3.158) 5.886 2.988 ( 1.332 -12.019 -1.227) 12.155 3.096 ( 1.143 3.681 2.107) 4.393 3.175 ( 4.609 2.489 0.018) 5.239 3.232 ( 2.537 -4.855 5.009) 7.423 3.318 ( 5.955 -6.045 -0.427) 8.496 3.403 ( 3.343 1.072 3.221) 4.764 3.464 ( 3.785 -5.740 5.917) 9.071 3.594 ( 6.732 4.458 2.301) 8.396 3.648 ( 0.069 1.103 1.153) 1.598 3.753 ( 3.441 0.630 2.108) 4.084 3.832 ( 7.013 -4.032 -2.759) 8.547 4.025 ( 7.310 7.446 10.691) 14.939 4.146 ( 3.531 -1.141 3.451) 5.068 4.187 ( 2.740 -0.070 -2.863) 3.964 4.202 ( 5.529 -2.240 -2.095) 6.323 4.366 ( 9.738 3.655 -0.879) 10.439 4.392 ( 6.114 2.326 1.798) 6.784 4.638 ( 14.426 -0.532 -2.427) 14.638 4.708 ( 18.524 -6.091 0.405) 19.504 4.773 ( 3.819 8.321 -3.678) 9.866 4.930 ( 5.947 -4.800 -4.568) 8.903 5.089 ( 0.881 2.931 3.349) 4.537 5.124 ( 1.954 0.669 3.560) 4.116 5.257 ( 4.107 0.190 -0.775) 4.183 5.325 ( 4.938 -5.769 -2.232) 7.915 6.995 ( -3.578 3.277 5.023) 6.984 7.044 ( -3.766 -1.433 4.927) 6.365 7.362 ( -2.810 1.334 -0.721) 3.193 7.386 ( -4.485 -0.912 0.373) 4.592 7.427 ( -4.273 2.156 -1.628) 5.055 7.434 ( -1.244 0.128 2.394) 2.701 7.709 ( -5.935 -0.945 -3.447) 6.928 7.762 ( -8.735 -5.066 -4.184) 10.931 7.866 ( -1.863 6.822 2.262) 7.425 8.008 ( 0.528 -3.113 1.180) 3.371 8.077 ( -0.251 6.503 -2.743) 7.063 8.211 ( -0.194 -3.733 -2.973) 4.776 8.504 ( 0.064 2.833 4.408) 5.240 8.623 ( -0.863 -8.774 3.707) 9.564 8.846 ( 0.901 -3.263 -3.186) 4.649 8.887 ( 0.714 -6.195 -4.175) 7.505 9.268 ( -1.857 24.696 3.332) 24.989 9.517 ( 0.307 19.219 -3.958) 19.625 9.753 ( 2.524 7.484 3.648) 8.700 9.812 ( 2.283 -23.770 1.773) 23.945 9.931 ( 2.234 -12.319 1.269) 12.584 9.976 ( 2.201 -11.781 4.430) 12.777 10.540 ( -0.753 -1.949 -8.387) 8.643 10.570 ( -2.242 -6.189 -8.694) 10.905 10.721 ( -5.207 1.097 3.840) 6.562 10.784 ( -6.730 -3.154 3.520) 8.224 10.939 ( -2.911 1.915 -2.719) 4.419 11.023 ( -4.430 -5.582 -2.758) 7.642 12.196 ( -2.797 11.563 7.297) 13.956 12.418 ( -3.338 -9.235 6.526) 11.791 12.760 ( -9.082 11.459 -6.923) 16.178 12.979 ( -4.366 -9.301 -7.170) 12.529 13.891 ( -5.204 17.441 6.616) 19.366 14.219 ( -5.166 -13.759 6.152) 15.933 14.509 ( -5.813 15.922 -10.328) 19.848 14.813 ( -5.750 -12.906 -10.429) 17.561 15.344 ( 2.405 2.128 11.930) 12.354 15.381 ( 4.673 -0.980 12.585) 13.460 16.086 ( 4.202 6.378 -8.065) 11.108 16.183 ( 10.155 -3.099 -9.563) 14.290 16.607 ( 2.983 1.416 6.666) 7.439 16.656 ( 5.727 -3.125 5.167) 8.322 16.984 ( 7.115 0.667 -3.499) 7.957 17.028 ( 1.939 -3.282 -4.155) 5.639 24.607 ( -0.372 2.189 2.877) 3.634 24.660 ( -0.539 -2.716 2.535) 3.755 24.877 ( 0.692 0.526 -5.669) 5.736 24.887 ( 0.977 -0.261 -4.588) 4.698 25.158 ( -0.754 2.279 11.360) 11.611 25.197 ( -0.459 -1.331 11.094) 11.183 25.871 ( -7.979 4.719 -8.061) 12.284 25.938 ( -8.302 -1.424 -9.264) 12.521 27.315 ( -4.312 1.185 3.544) 5.706 27.361 ( -3.557 -3.213 3.556) 5.969 27.593 ( -3.872 0.264 -3.936) 5.527 27.634 ( -3.681 -3.614 -3.384) 6.169 28.222 ( 3.389 6.659 6.771) 10.084 28.329 ( 5.414 -3.098 6.165) 8.771 28.669 ( 0.871 8.279 -4.753) 9.586 28.857 ( 4.319 -9.519 -6.693) 12.412======================= Grid point 93 (39/60) =======================q-point: ( 0.38 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.687 ( -2.715 5.946 -2.087) 6.862 1.716 ( 3.149 4.162 -3.337) 6.195 1.783 ( 1.182 -0.900 -2.281) 2.722 1.811 ( -2.138 -4.389 -1.610) 5.140 2.112 ( -1.404 7.765 1.213) 7.984 2.274 ( 0.507 -3.444 2.851) 4.500 2.392 ( -1.974 4.334 -2.724) 5.486 2.551 ( 0.496 -1.914 -4.201) 4.643 2.748 ( 3.342 10.937 0.224) 11.438 2.826 ( 1.552 3.562 -2.107) 4.420 2.866 ( 2.869 2.096 0.103) 3.555 2.998 ( -0.510 -10.414 -1.897) 10.597 3.110 ( 0.669 9.812 5.838) 11.437 3.211 ( -2.750 1.980 8.103) 8.783 3.215 ( 0.172 -1.773 4.033) 4.409 3.438 ( 4.707 -5.182 -0.291) 7.007 3.473 ( 2.026 0.613 0.523) 2.180 3.527 ( 1.604 -9.538 4.324) 10.594 3.636 ( 1.004 1.658 2.980) 3.555 3.678 ( 0.536 -2.229 3.194) 3.932 3.860 ( 5.816 4.763 -4.431) 8.726 3.942 ( 2.888 -2.339 -5.170) 6.367 4.144 ( 2.693 2.943 6.429) 7.566 4.161 ( -1.545 0.191 -2.639) 3.063 4.218 ( 2.684 1.766 -3.075) 4.447 4.292 ( 0.910 -3.855 3.846) 5.521 4.489 ( 3.384 1.377 -1.283) 3.872 4.509 ( 3.547 -0.293 0.629) 3.614 4.935 ( 11.186 8.148 -0.424) 13.846 4.938 ( 5.858 3.067 -0.339) 6.621 4.993 ( 7.382 -0.298 0.586) 7.411 5.083 ( 7.968 -0.501 -1.459) 8.116 5.134 ( 3.121 2.198 3.286) 5.037 5.261 ( 10.074 -6.861 4.282) 12.919 5.393 ( 8.575 2.983 -2.428) 9.399 5.497 ( 10.679 -6.157 -3.067) 12.703 6.935 ( -2.088 1.896 3.565) 4.545 6.964 ( -3.417 -0.753 4.250) 5.505 7.254 ( -6.124 2.625 -4.618) 8.107 7.283 ( -4.061 -0.047 -3.627) 5.445 7.348 ( -3.037 0.671 3.589) 4.749 7.400 ( -1.823 -2.432 2.903) 4.203 7.614 ( -3.356 -3.739 -2.690) 5.699 7.627 ( -3.185 -4.010 -2.818) 5.845 7.840 ( -0.898 9.343 2.669) 9.758 8.013 ( -0.310 -4.169 1.641) 4.491 8.067 ( -0.941 7.094 -2.787) 7.680 8.198 ( -1.250 -3.304 -2.307) 4.219 8.508 ( 0.271 1.549 4.412) 4.684 8.610 ( -0.283 -8.503 3.732) 9.291 8.827 ( -2.039 -1.552 -3.110) 4.030 8.886 ( -0.431 -6.934 -3.362) 7.718 9.226 ( -1.744 27.625 3.381) 27.885 9.518 ( 0.002 21.240 -4.337) 21.679 9.778 ( -0.100 3.519 6.837) 7.690 9.862 ( 2.370 -24.389 0.742) 24.515 9.968 ( 1.223 -16.076 -1.591) 16.200 10.007 ( 0.757 -10.098 5.259) 11.410 10.476 ( -3.484 0.172 -8.067) 8.789 10.566 ( 0.154 -6.180 -6.712) 9.125 10.639 ( -2.513 -2.036 3.848) 5.027 10.661 ( -3.857 -2.597 3.706) 5.945 10.876 ( -2.784 2.657 -3.929) 5.500 10.947 ( -2.263 -3.563 -4.293) 6.020 12.143 ( -1.957 10.843 5.634) 12.375 12.353 ( -2.451 -8.958 6.240) 11.188 12.603 ( -5.375 14.607 -5.722) 16.583 12.898 ( -2.932 -13.395 -7.163) 15.471 13.816 ( -2.077 17.657 6.199) 18.829 14.144 ( -2.046 -13.707 5.821) 15.032 14.413 ( -3.190 16.692 -9.970) 19.703 14.725 ( -2.600 -13.071 -10.435) 16.926 15.368 ( 0.213 4.065 11.784) 12.468 15.448 ( 1.774 -3.087 14.124) 14.566 16.121 ( 0.111 12.617 -8.280) 15.092 16.332 ( 4.012 -6.684 -10.218) 12.853 16.664 ( 2.201 3.645 6.899) 8.107 16.770 ( 4.271 -6.020 5.229) 9.046 17.076 ( 2.201 0.740 -4.089) 4.702 17.126 ( 5.412 -3.697 -3.797) 7.575 24.601 ( -0.233 1.958 2.983) 3.575 24.650 ( -0.380 -2.616 2.951) 3.961 24.890 ( 0.471 0.833 -6.181) 6.255 24.906 ( 0.735 -0.503 -4.392) 4.482 25.144 ( -0.561 2.399 9.200) 9.524 25.188 ( -0.407 -1.627 9.872) 10.014 25.733 ( -4.394 3.579 -6.231) 8.423 25.782 ( -6.050 -1.024 -7.115) 9.396 27.242 ( -2.403 1.721 3.302) 4.432 27.302 ( -1.950 -3.945 3.260) 5.477 27.523 ( -2.505 0.986 -4.048) 4.862 27.570 ( -2.181 -3.485 -3.548) 5.431 28.280 ( 1.967 8.335 5.611) 10.238 28.422 ( 3.186 -4.828 6.020) 8.348 28.673 ( -0.216 11.378 -4.336) 12.178 28.928 ( 2.217 -12.797 -6.398) 14.478======================= Grid point 94 (40/60) =======================q-point: (-0.50 0.43 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.659 ( 0.000 5.811 -1.685) 6.050 1.767 ( 0.000 2.358 -5.692) 6.161 1.767 ( -0.000 -3.428 -1.909) 3.923 1.796 ( 0.000 -1.577 -2.049) 2.586 2.095 ( 0.000 7.853 2.025) 8.110 2.287 ( 0.000 -9.397 5.298) 10.788 2.367 ( 0.000 10.939 -4.089) 11.679 2.557 ( 0.000 -2.297 -4.021) 4.631 2.804 ( -0.000 8.505 -2.363) 8.827 2.817 ( 0.000 4.968 2.907) 5.756 2.924 ( -0.000 -5.892 -5.361) 7.966 2.973 ( 0.000 -3.725 -1.819) 4.145 3.125 ( -0.000 16.937 9.170) 19.260 3.168 ( 0.000 -1.290 8.087) 8.189 3.213 ( -0.000 -1.510 5.442) 5.648 3.488 ( 0.000 -2.921 -0.861) 3.045 3.502 ( 0.000 0.387 0.508) 0.638 3.531 ( -0.000 -12.863 4.062) 13.489 3.655 ( -0.000 1.261 3.996) 4.190 3.680 ( 0.000 -1.440 1.775) 2.286 3.945 ( -0.000 1.680 -4.595) 4.893 3.957 ( 0.000 1.019 -6.009) 6.095 4.135 ( 0.000 0.918 -4.177) 4.277 4.161 ( 0.000 -0.972 0.453) 1.073 4.272 ( -0.000 0.546 2.222) 2.288 4.277 ( 0.000 -0.173 5.531) 5.534 4.524 ( 0.000 1.000 -0.759) 1.256 4.543 ( 0.000 -0.733 -0.684) 1.003 4.981 ( 0.000 3.499 0.428) 3.525 5.053 ( -0.000 -2.821 1.974) 3.443 5.060 ( 0.000 6.153 -1.902) 6.440 5.179 ( 0.000 -4.777 -1.974) 5.168 5.189 ( -0.000 9.123 5.528) 10.667 5.392 ( 0.000 -9.159 4.558) 10.230 5.523 ( 0.000 5.988 -3.512) 6.941 5.637 ( 0.000 -4.953 -3.087) 5.836 6.912 ( 0.000 0.809 2.935) 3.045 6.923 ( -0.000 0.049 3.944) 3.944 7.183 ( 0.000 2.417 -4.296) 4.929 7.230 ( -0.000 -1.476 -5.201) 5.406 7.314 ( 0.000 0.735 4.083) 4.149 7.378 ( -0.000 -3.655 3.799) 5.272 7.580 ( -0.000 -3.173 -2.411) 3.985 7.597 ( 0.000 -3.630 -3.274) 4.888 7.829 ( 0.000 9.821 2.872) 10.233 8.006 ( 0.000 -5.264 2.572) 5.859 8.052 ( 0.000 8.286 -3.412) 8.961 8.178 ( 0.000 -3.170 -2.017) 3.757 8.512 ( 0.000 0.974 4.302) 4.411 8.608 ( 0.000 -8.644 3.513) 9.330 8.798 ( 0.000 0.303 -2.776) 2.792 8.881 ( 0.000 -7.668 -3.030) 8.246 9.206 ( 0.000 29.011 3.505) 29.222 9.518 ( 0.000 21.646 -4.489) 22.107 9.773 ( 0.000 0.276 7.209) 7.214 9.891 ( 0.000 -23.470 0.361) 23.473 9.981 ( 0.000 -17.464 -2.034) 17.583 10.013 ( 0.000 -9.505 5.615) 11.040 10.435 ( 0.000 2.242 -7.594) 7.918 10.555 ( 0.000 -6.438 -3.951) 7.553 10.622 ( 0.000 -2.202 1.276) 2.545 10.624 ( -0.000 -4.094 3.391) 5.316 10.843 ( 0.000 3.965 -3.650) 5.390 10.925 ( 0.000 -3.408 -5.135) 6.163 12.121 ( 0.000 10.494 4.965) 11.609 12.325 ( 0.000 -8.819 6.150) 10.752 12.544 ( 0.000 15.611 -5.404) 16.520 12.865 ( 0.000 -14.887 -7.235) 16.552 13.795 ( 0.000 17.755 6.088) 18.770 14.124 ( 0.000 -13.644 5.717) 14.793 14.379 ( 0.000 17.190 -9.593) 19.685 14.699 ( 0.000 -13.348 -10.354) 16.893 15.368 ( 0.000 4.693 11.604) 12.517 15.465 ( 0.000 -4.039 14.570) 15.119 16.119 ( 0.000 14.803 -8.292) 16.967 16.371 ( 0.000 -8.066 -10.391) 13.154 16.689 ( 0.000 4.529 6.946) 8.293 16.817 ( 0.000 -7.087 5.356) 8.884 17.102 ( 0.000 2.510 -4.110) 4.816 17.186 ( 0.000 -5.008 -3.949) 6.377 24.598 ( 0.000 1.847 2.998) 3.522 24.646 ( 0.000 -2.568 3.183) 4.090 24.895 ( 0.000 0.983 -6.327) 6.402 24.915 ( 0.000 -0.629 -4.236) 4.282 25.137 ( 0.000 2.404 8.290) 8.632 25.183 ( 0.000 -1.739 9.304) 9.465 25.697 ( 0.000 1.289 -5.395) 5.547 25.704 ( -0.000 0.845 -6.533) 6.588 27.217 ( 0.000 1.922 3.202) 3.734 27.281 ( 0.000 -4.222 3.179) 5.285 27.495 ( 0.000 1.368 -4.056) 4.281 27.547 ( 0.000 -3.458 -3.569) 4.970 28.301 ( 0.000 8.941 5.181) 10.334 28.457 ( 0.000 -5.520 5.947) 8.114 28.669 ( 0.000 12.697 -4.140) 13.355 28.950 ( 0.000 -14.004 -6.255) 15.337======================= Grid point 126 (41/60) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 60Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.018 ( 0.000 0.000 23.888) 23.888 1.024 ( 0.000 0.000 26.368) 26.368 1.392 ( 0.000 0.000 -13.665) 13.665 1.490 ( 0.000 0.000 -22.334) 22.334 1.721 ( 0.000 0.000 17.264) 17.264 1.797 ( 0.000 0.000 5.995) 5.995 1.888 ( 0.000 0.000 -4.802) 4.802 1.902 ( 0.000 0.000 -5.384) 5.384 2.256 ( 0.000 0.000 24.272) 24.272 2.719 ( 0.000 0.000 5.304) 5.304 2.769 ( 0.000 0.000 -18.715) 18.715 2.818 ( 0.000 0.000 -5.084) 5.084 2.922 ( 0.000 0.000 2.728) 2.728 2.992 ( 0.000 0.000 -1.805) 1.805 2.998 ( 0.000 0.000 -5.165) 5.165 3.030 ( 0.000 0.000 -10.436) 10.436 3.386 ( 0.000 0.000 7.866) 7.866 3.535 ( 0.000 0.000 -6.197) 6.197 3.679 ( 0.000 0.000 5.487) 5.487 3.733 ( 0.000 0.000 4.134) 4.134 3.783 ( 0.000 0.000 1.302) 1.302 3.797 ( 0.000 0.000 -5.780) 5.780 3.937 ( 0.000 0.000 3.152) 3.152 3.965 ( 0.000 0.000 9.327) 9.327 3.994 ( 0.000 0.000 -3.135) 3.135 4.151 ( 0.000 0.000 -7.175) 7.175 4.177 ( 0.000 0.000 6.658) 6.658 4.304 ( 0.000 0.000 -6.485) 6.485 4.742 ( 0.000 0.000 3.781) 3.781 4.827 ( 0.000 0.000 -5.258) 5.258 4.872 ( 0.000 0.000 0.036) 0.036 4.882 ( 0.000 0.000 -1.076) 1.076 5.125 ( 0.000 0.000 1.907) 1.907 5.154 ( 0.000 0.000 1.363) 1.363 5.167 ( 0.000 0.000 -2.979) 2.979 5.169 ( 0.000 0.000 -0.109) 0.109 7.039 ( 0.000 0.000 3.765) 3.765 7.115 ( 0.000 0.000 -4.034) 4.034 7.225 ( 0.000 0.000 8.862) 8.862 7.323 ( 0.000 0.000 9.456) 9.456 7.377 ( 0.000 0.000 -7.049) 7.049 7.502 ( 0.000 0.000 -8.957) 8.957 7.710 ( 0.000 0.000 1.396) 1.396 7.737 ( 0.000 0.000 -1.277) 1.277 7.982 ( 0.000 0.000 3.658) 3.658 8.055 ( 0.000 0.000 -3.804) 3.804 8.268 ( 0.000 0.000 6.894) 6.894 8.388 ( 0.000 0.000 -5.588) 5.588 8.457 ( 0.000 0.000 2.925) 2.925 8.503 ( 0.000 0.000 -1.322) 1.322 8.703 ( 0.000 0.000 8.012) 8.012 8.866 ( 0.000 0.000 -7.995) 7.995 9.227 ( 0.000 0.000 11.645) 11.645 9.464 ( 0.000 0.000 -12.691) 12.691 9.590 ( 0.000 0.000 1.099) 1.099 9.613 ( 0.000 0.000 -1.299) 1.299 10.210 ( 0.000 0.000 7.924) 7.924 10.401 ( 0.000 0.000 -11.831) 11.831 10.629 ( 0.000 0.000 0.319) 0.319 10.632 ( 0.000 0.000 0.014) 0.014 11.229 ( 0.000 0.000 4.667) 4.667 11.323 ( 0.000 0.000 -4.997) 4.997 11.372 ( 0.000 0.000 6.792) 6.792 11.491 ( 0.000 0.000 -5.543) 5.543 12.600 ( 0.000 0.000 -0.044) 0.044 12.603 ( 0.000 0.000 -0.381) 0.381 12.860 ( 0.000 0.000 5.195) 5.195 12.960 ( 0.000 0.000 -5.099) 5.099 13.295 ( 0.000 0.000 10.208) 10.208 13.486 ( 0.000 0.000 -9.414) 9.414 15.079 ( 0.000 0.000 8.493) 8.493 15.247 ( 0.000 0.000 -8.681) 8.681 15.283 ( 0.000 0.000 9.517) 9.517 15.483 ( 0.000 0.000 -11.460) 11.460 15.949 ( 0.000 0.000 1.278) 1.278 15.980 ( 0.000 0.000 -1.820) 1.820 16.429 ( 0.000 0.000 2.073) 2.073 16.461 ( 0.000 0.000 -1.231) 1.231 16.875 ( 0.000 0.000 11.111) 11.111 17.067 ( 0.000 0.000 -8.825) 8.825 24.656 ( 0.000 0.000 6.203) 6.203 24.781 ( 0.000 0.000 -6.878) 6.878 24.804 ( 0.000 0.000 2.345) 2.345 24.867 ( 0.000 0.000 -4.275) 4.275 25.416 ( 0.000 0.000 11.763) 11.763 25.427 ( 0.000 0.000 4.879) 4.879 25.501 ( 0.000 0.000 -2.938) 2.938 25.639 ( 0.000 0.000 -11.312) 11.312 27.723 ( 0.000 0.000 5.242) 5.242 27.805 ( 0.000 0.000 2.312) 2.312 27.833 ( 0.000 0.000 -6.134) 6.134 27.834 ( 0.000 0.000 -0.802) 0.802 27.936 ( 0.000 0.000 0.853) 0.853 27.963 ( 0.000 0.000 -1.892) 1.892 28.645 ( 0.000 0.000 6.752) 6.752 28.767 ( 0.000 0.000 -5.907) 5.907======================= Grid point 127 (42/60) =======================q-point: ( 0.12 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( 12.398 0.000 18.466) 22.242 1.180 ( 9.081 0.000 17.068) 19.333 1.474 ( 8.141 0.000 -9.023) 12.153 1.512 ( 0.142 0.000 -14.244) 14.244 1.783 ( 1.723 0.000 8.206) 8.385 1.846 ( 7.322 0.000 6.054) 9.501 1.893 ( 0.736 0.000 -4.252) 4.315 1.951 ( 4.568 0.000 -6.002) 7.543 2.357 ( 9.189 0.000 27.355) 28.857 2.742 ( 2.109 0.000 1.607) 2.652 2.798 ( -1.385 0.000 -9.322) 9.424 2.815 ( 1.797 0.000 -4.818) 5.142 2.944 ( -0.096 0.000 2.012) 2.015 3.079 ( 10.312 0.000 -15.632) 18.727 3.094 ( 10.371 0.000 -1.693) 10.509 3.105 ( 8.152 0.000 -3.860) 9.020 3.380 ( -0.160 0.000 9.389) 9.391 3.559 ( 1.981 0.000 -8.736) 8.958 3.666 ( 1.743 0.000 4.065) 4.423 3.731 ( -4.125 0.000 4.169) 5.864 3.757 ( -0.054 0.000 -2.798) 2.799 3.779 ( -0.936 0.000 1.337) 1.632 3.988 ( 3.054 0.000 3.764) 4.848 4.017 ( 2.391 0.000 -0.897) 2.554 4.172 ( 14.958 0.000 3.297) 15.317 4.199 ( 6.898 0.000 4.174) 8.063 4.314 ( 11.353 0.000 -4.104) 12.072 4.324 ( 2.039 0.000 -3.064) 3.680 4.635 ( -16.555 0.000 6.148) 17.660 4.676 ( -6.891 0.000 -0.155) 6.893 4.890 ( 1.522 0.000 0.109) 1.526 4.893 ( 0.855 0.000 -1.001) 1.317 4.942 ( -2.555 0.000 0.681) 2.644 4.990 ( -8.381 0.000 -4.447) 9.487 5.239 ( 3.334 0.000 4.421) 5.537 5.343 ( 6.629 0.000 -6.932) 9.592 6.972 ( -4.677 0.000 5.591) 7.289 7.075 ( -3.034 0.000 -5.135) 5.965 7.246 ( 0.913 0.000 7.849) 7.902 7.314 ( -0.993 0.000 9.077) 9.131 7.369 ( -1.319 0.000 -5.593) 5.746 7.502 ( 0.066 0.000 -9.693) 9.693 7.685 ( -1.740 0.000 2.583) 3.114 7.727 ( -0.560 0.000 -1.997) 2.074 8.021 ( 2.879 0.000 2.746) 3.979 8.057 ( -5.621 0.000 2.392) 6.109 8.090 ( -3.330 0.000 -0.260) 3.340 8.113 ( -8.144 0.000 0.215) 8.147 8.607 ( -5.224 0.000 10.947) 12.129 8.691 ( 13.394 0.000 12.343) 18.214 8.803 ( -4.885 0.000 -8.404) 9.721 8.962 ( 16.077 0.000 -13.435) 20.952 9.337 ( 7.384 0.000 4.245) 8.517 9.516 ( 3.177 0.000 -10.517) 10.986 9.608 ( 2.699 0.000 -0.908) 2.848 9.616 ( 1.047 0.000 -1.980) 2.240 10.224 ( 1.253 0.000 8.025) 8.122 10.412 ( 1.171 0.000 -11.393) 11.453 10.590 ( -3.429 0.000 0.634) 3.487 10.598 ( -2.908 0.000 -0.284) 2.922 11.279 ( 3.790 0.000 4.497) 5.881 11.288 ( -7.439 0.000 5.949) 9.525 11.384 ( 4.890 0.000 -4.595) 6.710 11.412 ( -6.484 0.000 -5.215) 8.321 12.334 ( -16.424 0.000 6.161) 17.542 12.419 ( -12.292 0.000 -3.490) 12.777 12.969 ( 3.442 0.000 7.487) 8.241 13.088 ( 7.532 0.000 -4.416) 8.731 13.176 ( -9.538 0.000 8.263) 12.619 13.356 ( -8.493 0.000 -9.818) 12.982 15.042 ( -6.634 0.000 9.752) 11.794 15.243 ( -5.482 0.000 -10.698) 12.021 15.308 ( 5.943 0.000 9.220) 10.970 15.443 ( -0.086 0.000 -3.564) 3.565 15.882 ( -5.739 0.000 1.860) 6.033 15.969 ( 0.399 0.000 -8.629) 8.638 16.603 ( 13.955 0.000 3.245) 14.327 16.664 ( 15.636 0.000 -3.108) 15.942 16.879 ( 0.059 0.000 10.728) 10.728 17.065 ( -0.257 0.000 -8.640) 8.644 24.654 ( -0.189 0.000 5.985) 5.988 24.776 ( -0.658 0.000 -6.786) 6.818 24.801 ( -0.145 0.000 2.167) 2.172 24.848 ( -1.004 0.000 -2.417) 2.618 25.309 ( -5.820 0.000 8.945) 10.672 25.438 ( -4.261 0.000 -4.863) 6.466 25.448 ( -0.243 0.000 11.371) 11.374 25.661 ( 0.655 0.000 -10.807) 10.827 27.520 ( -9.076 0.000 2.841) 9.510 27.570 ( -9.218 0.000 -2.116) 9.457 27.832 ( -3.019 0.000 1.421) 3.337 27.860 ( -2.076 0.000 -1.440) 2.527 28.109 ( 12.100 0.000 6.039) 13.524 28.156 ( 3.419 0.000 2.507) 4.240 28.695 ( -5.239 0.000 -1.475) 5.442 28.768 ( 11.567 0.000 -11.521) 16.326======================= Grid point 128 (43/60) =======================q-point: ( 0.25 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.308 ( 3.970 0.000 5.817) 7.043 1.385 ( 2.500 0.000 -0.748) 2.609 1.582 ( 12.521 0.000 6.840) 14.268 1.702 ( 11.881 0.000 -0.399) 11.888 1.807 ( 2.142 0.000 5.385) 5.796 1.916 ( 1.547 0.000 -4.341) 4.609 2.016 ( 6.779 0.000 -0.078) 6.779 2.049 ( 3.609 0.000 -2.844) 4.595 2.517 ( 2.981 0.000 16.938) 17.198 2.649 ( -7.900 0.000 2.971) 8.440 2.785 ( -1.940 0.000 -6.140) 6.439 2.836 ( 2.937 0.000 -11.256) 11.632 3.139 ( 10.606 0.000 8.263) 13.445 3.223 ( 0.717 0.000 6.985) 7.022 3.236 ( 3.006 0.000 -1.821) 3.514 3.427 ( 12.844 0.000 -13.574) 18.688 3.509 ( 16.400 0.000 5.862) 17.416 3.651 ( -2.302 0.000 5.651) 6.102 3.681 ( 14.158 0.000 -9.672) 17.147 3.709 ( 0.954 0.000 -0.877) 1.296 3.753 ( 1.587 0.000 1.747) 2.361 3.801 ( 3.229 0.000 -3.331) 4.639 4.030 ( 0.643 0.000 2.430) 2.514 4.050 ( 1.003 0.000 -1.129) 1.510 4.248 ( -9.712 0.000 10.978) 14.657 4.415 ( 10.951 0.000 2.139) 11.158 4.457 ( -9.769 0.000 -6.046) 11.488 4.462 ( 9.184 0.000 3.576) 9.856 4.496 ( 5.877 0.000 2.857) 6.534 4.575 ( 8.223 0.000 -3.806) 9.061 4.909 ( 0.611 0.000 1.333) 1.466 4.936 ( 1.113 0.000 -0.995) 1.492 4.966 ( 7.010 0.000 -3.455) 7.816 4.969 ( 7.559 0.000 -3.129) 8.181 5.321 ( 4.622 0.000 6.812) 8.232 5.479 ( 6.815 0.000 -9.954) 12.064 6.897 ( -1.786 0.000 6.741) 6.974 7.021 ( -1.552 0.000 -6.149) 6.341 7.228 ( -3.085 0.000 4.567) 5.511 7.286 ( -1.152 0.000 11.357) 11.416 7.309 ( -4.198 0.000 -4.044) 5.829 7.501 ( -0.253 0.000 -10.749) 10.752 7.646 ( -2.047 0.000 4.848) 5.263 7.719 ( -0.204 0.000 -3.283) 3.289 7.923 ( -4.227 0.000 3.291) 5.357 7.965 ( -5.703 0.000 -1.048) 5.798 8.073 ( 1.531 0.000 1.845) 2.397 8.109 ( 0.943 0.000 -1.889) 2.111 8.499 ( -4.290 0.000 11.097) 11.897 8.698 ( -4.401 0.000 -9.276) 10.267 8.903 ( 6.068 0.000 15.090) 16.265 9.165 ( 4.971 0.000 -8.815) 10.119 9.408 ( 0.749 0.000 5.056) 5.111 9.530 ( -1.708 0.000 -2.459) 2.994 9.670 ( -0.465 0.000 -6.956) 6.971 9.677 ( 3.525 0.000 -8.452) 9.157 10.254 ( 1.413 0.000 8.661) 8.776 10.445 ( 1.383 0.000 -10.182) 10.275 10.512 ( -2.804 0.000 0.178) 2.809 10.533 ( -2.523 0.000 -1.404) 2.887 11.078 ( -11.600 0.000 6.187) 13.147 11.190 ( -10.242 0.000 -5.382) 11.570 11.419 ( 5.262 0.000 4.031) 6.629 11.498 ( 5.016 0.000 -4.195) 6.539 12.061 ( -8.335 0.000 8.523) 11.921 12.199 ( -7.488 0.000 -6.302) 9.787 12.951 ( -3.672 0.000 10.927) 11.528 12.963 ( -9.059 0.000 9.168) 12.888 13.207 ( 3.134 0.000 -8.563) 9.119 13.221 ( -4.837 0.000 -10.451) 11.516 14.870 ( -7.697 0.000 9.649) 12.343 15.075 ( -7.744 0.000 -11.652) 13.990 15.422 ( -2.774 0.000 5.682) 6.323 15.447 ( 3.935 0.000 4.549) 6.014 15.764 ( -3.448 0.000 8.838) 9.487 16.026 ( 4.278 0.000 -16.602) 17.144 16.857 ( -0.908 0.000 10.631) 10.670 16.911 ( 13.490 0.000 4.302) 14.159 17.007 ( 14.078 0.000 -4.354) 14.736 17.052 ( -0.877 0.000 -8.405) 8.450 24.647 ( -0.467 0.000 5.231) 5.252 24.754 ( -1.060 0.000 -6.065) 6.157 24.806 ( 0.671 0.000 2.738) 2.819 24.849 ( 1.019 0.000 -0.851) 1.328 25.211 ( -3.470 0.000 8.483) 9.166 25.361 ( -2.701 0.000 -6.574) 7.107 25.430 ( -1.259 0.000 11.192) 11.262 25.641 ( -2.452 0.000 -10.771) 11.047 27.376 ( -4.929 0.000 3.512) 6.052 27.448 ( -3.398 0.000 -4.034) 5.275 27.742 ( -5.095 0.000 2.077) 5.502 27.786 ( -4.319 0.000 -2.419) 4.951 28.127 ( -3.439 0.000 8.304) 8.988 28.247 ( -0.343 0.000 -3.447) 3.464 28.660 ( 3.605 0.000 14.579) 15.018 29.023 ( 10.566 0.000 -22.580) 24.930======================= Grid point 129 (44/60) =======================q-point: ( 0.38 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.369 ( 1.831 0.000 0.968) 2.071 1.385 ( -0.124 0.000 -0.884) 0.893 1.846 ( 3.198 0.000 9.073) 9.620 1.898 ( 12.984 0.000 5.571) 14.129 1.961 ( 3.058 0.000 -2.877) 4.198 1.974 ( 11.057 0.000 -1.544) 11.164 2.099 ( 1.310 0.000 -1.088) 1.703 2.116 ( 2.835 0.000 -2.826) 4.003 2.473 ( -5.306 0.000 6.446) 8.349 2.506 ( -4.431 0.000 2.507) 5.091 2.816 ( 3.523 0.000 0.451) 3.552 2.819 ( -5.406 0.000 -2.116) 5.805 3.077 ( -6.397 0.000 6.156) 8.878 3.265 ( 1.811 0.000 -10.485) 10.640 3.339 ( 3.129 0.000 8.390) 8.955 3.518 ( -0.215 0.000 -9.588) 9.591 3.644 ( 1.064 0.000 6.773) 6.856 3.729 ( 2.029 0.000 -2.300) 3.067 3.786 ( 3.348 0.000 0.628) 3.407 3.796 ( 1.603 0.000 0.326) 1.636 3.987 ( 10.810 0.000 3.116) 11.250 4.011 ( 1.039 0.000 5.314) 5.415 4.031 ( 5.476 0.000 0.353) 5.487 4.110 ( -1.467 0.000 5.607) 5.795 4.115 ( 6.646 0.000 -9.213) 11.360 4.274 ( -1.622 0.000 -9.406) 9.545 4.537 ( -1.418 0.000 5.708) 5.881 4.631 ( -0.332 0.000 -4.093) 4.106 4.711 ( 14.131 0.000 6.732) 15.652 4.725 ( 15.978 0.000 4.780) 16.677 4.925 ( 0.515 0.000 1.431) 1.521 4.955 ( 0.765 0.000 -1.633) 1.803 5.129 ( 4.635 0.000 -3.715) 5.940 5.156 ( 4.947 0.000 -5.660) 7.517 5.449 ( 7.275 0.000 7.374) 10.359 5.634 ( 7.132 0.000 -11.809) 13.796 6.903 ( 1.997 0.000 6.275) 6.585 7.018 ( 1.157 0.000 -5.777) 5.892 7.131 ( -5.304 0.000 4.035) 6.664 7.208 ( -4.855 0.000 -3.856) 6.200 7.268 ( -0.638 0.000 11.800) 11.818 7.491 ( -0.630 0.000 -11.336) 11.354 7.605 ( -1.523 0.000 7.255) 7.413 7.720 ( 0.283 0.000 -4.986) 4.994 7.875 ( -0.472 0.000 0.693) 0.839 7.881 ( -2.145 0.000 0.069) 2.146 8.077 ( -0.919 0.000 1.942) 2.148 8.112 ( -0.604 0.000 -1.666) 1.772 8.430 ( -2.388 0.000 10.268) 10.542 8.621 ( -2.892 0.000 -9.250) 9.691 8.975 ( 1.672 0.000 13.106) 13.212 9.216 ( 1.047 0.000 -10.660) 10.711 9.434 ( 1.140 0.000 7.597) 7.682 9.450 ( -5.246 0.000 1.557) 5.473 9.556 ( -7.886 0.000 -0.577) 7.907 9.743 ( 2.822 0.000 -14.120) 14.399 10.278 ( 0.688 0.000 9.567) 9.592 10.446 ( -0.300 0.000 0.030) 0.302 10.503 ( 0.396 0.000 -10.129) 10.137 10.504 ( -0.562 0.000 -2.754) 2.810 10.849 ( -8.692 0.000 7.530) 11.500 10.991 ( -7.460 0.000 -7.103) 10.300 11.510 ( 2.901 0.000 3.910) 4.869 11.573 ( 2.022 0.000 -2.742) 3.407 11.973 ( -1.083 0.000 7.298) 7.377 12.110 ( -1.503 0.000 -7.053) 7.211 12.824 ( -3.957 0.000 10.930) 11.624 12.892 ( -0.910 0.000 10.963) 11.001 13.111 ( -5.641 0.000 -8.272) 10.013 13.226 ( -0.763 0.000 -13.119) 13.141 14.749 ( -3.661 0.000 9.700) 10.368 14.957 ( -3.397 0.000 -11.903) 12.378 15.356 ( -2.765 0.000 5.120) 5.819 15.432 ( -3.206 0.000 -2.677) 4.177 15.774 ( 2.573 0.000 17.883) 18.068 16.108 ( 2.963 0.000 -16.428) 16.693 16.830 ( -1.156 0.000 11.118) 11.178 17.024 ( -0.890 0.000 -8.912) 8.956 17.143 ( 7.401 0.000 5.154) 9.019 17.244 ( 7.785 0.000 -5.142) 9.330 24.637 ( -0.390 0.000 4.536) 4.553 24.739 ( -0.421 0.000 -6.245) 6.259 24.824 ( 0.835 0.000 4.030) 4.115 24.878 ( 1.365 0.000 -0.154) 1.374 25.158 ( -1.632 0.000 7.482) 7.658 25.331 ( -0.194 0.000 -8.909) 8.911 25.402 ( -1.174 0.000 9.294) 9.368 25.571 ( -3.623 0.000 -8.548) 9.284 27.300 ( -2.414 0.000 4.635) 5.226 27.399 ( -1.595 0.000 -5.732) 5.950 27.644 ( -3.552 0.000 2.817) 4.533 27.702 ( -3.158 0.000 -3.097) 4.423 28.064 ( -2.184 0.000 7.479) 7.792 28.186 ( -3.130 0.000 -5.386) 6.230 28.770 ( 4.659 0.000 20.238) 20.768 29.189 ( 5.125 0.000 -23.007) 23.571======================= Grid point 130 (45/60) =======================q-point: (-0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 52Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( 0.000 0.000 0.024) 0.024 1.388 ( 0.000 0.000 0.083) 0.083 1.886 ( 0.000 0.000 8.957) 8.957 1.985 ( 0.000 0.000 -0.845) 0.845 2.059 ( -0.000 0.000 4.095) 4.095 2.117 ( 0.000 0.000 -1.938) 1.938 2.126 ( 0.000 0.000 -2.296) 2.296 2.143 ( -0.000 0.000 -4.449) 4.449 2.385 ( 0.000 0.000 6.147) 6.147 2.485 ( -0.000 0.000 -4.378) 4.378 2.705 ( 0.000 0.000 9.768) 9.768 2.863 ( 0.000 0.000 4.559) 4.559 2.997 ( 0.000 0.000 4.053) 4.053 3.302 ( 0.000 0.000 -16.486) 16.486 3.361 ( 0.000 0.000 6.452) 6.452 3.501 ( -0.000 0.000 -7.322) 7.322 3.660 ( 0.000 0.000 7.765) 7.765 3.756 ( 0.000 0.000 -2.285) 2.285 3.810 ( 0.000 0.000 -0.303) 0.303 3.813 ( 0.000 0.000 -0.121) 0.121 3.968 ( 0.000 0.000 6.045) 6.045 4.075 ( 0.000 0.000 0.419) 0.419 4.082 ( 0.000 0.000 -0.283) 0.283 4.100 ( 0.000 0.000 -7.974) 7.974 4.201 ( 0.000 0.000 7.719) 7.719 4.349 ( 0.000 0.000 -7.323) 7.323 4.504 ( 0.000 0.000 6.306) 6.306 4.622 ( 0.000 0.000 -6.104) 6.104 4.927 ( 0.000 0.000 13.611) 13.611 4.927 ( 0.000 0.000 2.206) 2.206 4.964 ( 0.000 0.000 -1.890) 1.890 4.967 ( 0.000 0.000 8.324) 8.324 5.139 ( -0.000 0.000 -9.154) 9.154 5.162 ( 0.000 0.000 -9.828) 9.828 5.542 ( 0.000 0.000 5.873) 5.873 5.720 ( 0.000 0.000 -12.010) 12.010 6.944 ( 0.000 0.000 5.329) 5.329 7.044 ( 0.000 0.000 -5.114) 5.114 7.053 ( 0.000 0.000 4.847) 4.847 7.141 ( -0.000 0.000 -4.253) 4.253 7.261 ( 0.000 0.000 11.526) 11.526 7.483 ( 0.000 0.000 -11.478) 11.478 7.589 ( 0.000 0.000 8.359) 8.359 7.725 ( 0.000 0.000 -6.210) 6.210 7.864 ( 0.000 0.000 1.263) 1.263 7.879 ( 0.000 0.000 -0.463) 0.463 8.061 ( 0.000 0.000 2.401) 2.401 8.101 ( 0.000 0.000 -1.796) 1.796 8.401 ( 0.000 0.000 9.708) 9.708 8.586 ( 0.000 0.000 -9.165) 9.165 8.992 ( 0.000 0.000 12.008) 12.008 9.237 ( 0.000 0.000 -13.303) 13.303 9.378 ( 0.000 0.000 1.356) 1.356 9.398 ( -0.000 0.000 -0.705) 0.705 9.491 ( 0.000 0.000 13.894) 13.894 9.779 ( 0.000 0.000 -15.731) 15.731 10.284 ( 0.000 0.000 9.842) 9.842 10.446 ( 0.000 0.000 2.422) 2.422 10.499 ( 0.000 0.000 -3.170) 3.170 10.500 ( 0.000 0.000 -12.359) 12.359 10.755 ( 0.000 0.000 8.146) 8.146 10.909 ( 0.000 0.000 -7.628) 7.628 11.539 ( 0.000 0.000 3.407) 3.407 11.592 ( 0.000 0.000 -2.038) 2.038 11.969 ( 0.000 0.000 6.677) 6.677 12.101 ( 0.000 0.000 -6.967) 6.967 12.786 ( 0.000 0.000 12.380) 12.380 12.900 ( -0.000 0.000 16.382) 16.382 13.029 ( 0.000 0.000 -12.735) 12.735 13.210 ( 0.000 0.000 -15.791) 15.791 14.712 ( 0.000 0.000 9.829) 9.829 14.923 ( 0.000 0.000 -12.169) 12.169 15.324 ( 0.000 0.000 4.170) 4.170 15.390 ( 0.000 0.000 -2.724) 2.724 15.807 ( 0.000 0.000 18.679) 18.679 16.140 ( 0.000 0.000 -15.682) 15.682 16.817 ( 0.000 0.000 11.109) 11.109 17.013 ( 0.000 0.000 -9.109) 9.109 17.223 ( 0.000 0.000 5.393) 5.393 17.327 ( 0.000 0.000 -5.272) 5.272 24.633 ( 0.000 0.000 4.327) 4.327 24.735 ( 0.000 0.000 -6.507) 6.507 24.834 ( 0.000 0.000 4.648) 4.648 24.894 ( 0.000 0.000 0.034) 0.034 25.141 ( 0.000 0.000 7.351) 7.351 25.336 ( 0.000 0.000 -11.131) 11.131 25.388 ( 0.000 0.000 8.192) 8.192 25.523 ( 0.000 0.000 -6.035) 6.035 27.274 ( 0.000 0.000 5.006) 5.006 27.380 ( 0.000 0.000 -6.227) 6.227 27.606 ( 0.000 0.000 3.059) 3.059 27.667 ( 0.000 0.000 -3.283) 3.283 28.041 ( 0.000 0.000 6.890) 6.890 28.151 ( 0.000 0.000 -4.730) 4.730 28.821 ( 0.000 0.000 20.648) 20.648 29.242 ( 0.000 0.000 -22.690) 22.690======================= Grid point 135 (46/60) =======================q-point: ( 0.00 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( 0.000 14.534 21.955) 26.330 1.329 ( 0.000 20.962 20.138) 29.068 1.594 ( 0.000 9.359 -19.722) 21.830 1.621 ( 0.000 18.797 -4.720) 19.380 1.783 ( 0.000 -1.190 5.354) 5.485 1.792 ( 0.000 8.908 4.295) 9.889 1.890 ( 0.000 -0.928 -6.242) 6.311 1.922 ( 0.000 1.779 -7.682) 7.885 2.439 ( 0.000 16.212 22.479) 27.715 2.735 ( 0.000 1.482 4.523) 4.760 2.782 ( 0.000 2.907 -8.255) 8.752 2.822 ( 0.000 0.359 -4.539) 4.553 2.904 ( 0.000 -4.498 1.827) 4.855 2.963 ( 0.000 -3.299 -0.854) 3.408 3.008 ( 0.000 2.585 -3.726) 4.535 3.134 ( 0.000 9.879 -15.875) 18.698 3.372 ( 0.000 -1.620 7.653) 7.823 3.519 ( 0.000 -2.079 -6.809) 7.119 3.621 ( 0.000 -5.115 6.493) 8.266 3.715 ( 0.000 -1.532 4.677) 4.921 3.736 ( 0.000 -5.259 -4.690) 7.047 3.795 ( 0.000 -0.036 -2.632) 2.632 3.931 ( 0.000 -0.548 3.406) 3.450 3.934 ( 0.000 -1.755 11.825) 11.955 3.988 ( 0.000 -0.110 -2.698) 2.700 4.129 ( 0.000 -1.476 -6.956) 7.111 4.177 ( 0.000 -0.245 7.366) 7.370 4.332 ( 0.000 2.061 -8.478) 8.725 4.643 ( 0.000 -15.259 12.714) 19.861 4.699 ( 0.000 -3.669 2.927) 4.694 4.761 ( 0.000 -5.517 -3.665) 6.624 4.829 ( 0.000 -6.199 -7.717) 9.898 5.099 ( 0.000 -1.391 0.039) 1.391 5.118 ( 0.000 -1.744 -1.664) 2.410 5.182 ( 0.000 2.002 1.140) 2.304 5.193 ( 0.000 1.833 0.067) 1.834 7.163 ( 0.000 9.541 7.898) 12.385 7.256 ( 0.000 2.562 7.978) 8.379 7.281 ( 0.000 -2.178 6.050) 6.430 7.308 ( 0.000 12.187 -7.113) 14.111 7.418 ( 0.000 0.836 -3.071) 3.182 7.485 ( 0.000 1.509 -8.117) 8.256 7.784 ( 0.000 4.309 0.331) 4.322 7.797 ( 0.000 6.157 -0.973) 6.233 7.948 ( 0.000 -4.323 3.713) 5.699 8.027 ( 0.000 -3.297 -4.488) 5.569 8.183 ( 0.000 -5.278 7.922) 9.520 8.334 ( 0.000 -3.694 -8.929) 9.663 8.462 ( 0.000 0.657 2.955) 3.027 8.514 ( 0.000 1.199 -2.324) 2.614 8.767 ( 0.000 6.487 8.103) 10.380 8.920 ( 0.000 5.411 -7.371) 9.144 9.168 ( 0.000 -6.419 11.081) 12.806 9.364 ( 0.000 -11.319 -8.091) 13.913 9.620 ( 0.000 1.441 0.076) 1.443 9.652 ( 0.000 5.846 -4.490) 7.371 10.181 ( 0.000 -2.733 8.462) 8.892 10.383 ( 0.000 -1.654 -12.454) 12.563 10.580 ( 0.000 -5.153 0.947) 5.239 10.597 ( 0.000 -2.136 -1.127) 2.415 11.131 ( 0.000 -8.487 5.541) 10.136 11.240 ( 0.000 -8.127 -5.728) 9.943 11.327 ( 0.000 -4.139 6.252) 7.498 11.434 ( 0.000 -5.214 -4.870) 7.135 12.373 ( 0.000 -7.955 14.871) 16.865 12.635 ( 0.000 -0.502 -13.914) 13.924 12.847 ( 0.000 -1.389 6.059) 6.216 12.964 ( 0.000 0.180 -5.999) 6.002 13.564 ( 0.000 19.170 9.055) 21.201 13.737 ( 0.000 19.707 -8.855) 21.605 15.032 ( 0.000 -4.817 8.878) 10.100 15.184 ( 0.000 -4.411 -3.693) 5.753 15.324 ( 0.000 2.203 2.907) 3.647 15.475 ( 0.000 -0.317 -10.040) 10.045 15.742 ( 0.000 -13.748 10.224) 17.133 15.902 ( 0.000 -7.168 -7.422) 10.318 16.456 ( 0.000 2.137 2.729) 3.466 16.500 ( 0.000 3.532 -1.842) 3.983 16.859 ( 0.000 -1.650 10.914) 11.038 17.048 ( 0.000 -1.877 -8.764) 8.963 24.653 ( 0.000 -0.110 5.871) 5.872 24.772 ( 0.000 -0.714 -6.517) 6.556 24.799 ( 0.000 -0.595 2.411) 2.483 24.845 ( 0.000 -1.446 -2.024) 2.487 25.410 ( 0.000 2.102 15.218) 15.362 25.427 ( 0.000 1.045 12.451) 12.495 25.664 ( 0.000 2.308 -12.068) 12.287 25.702 ( 0.000 11.317 -16.883) 20.325 27.690 ( 0.000 -6.053 2.942) 6.730 27.703 ( 0.000 -1.977 5.044) 5.417 27.744 ( 0.000 -5.500 -2.706) 6.129 27.804 ( 0.000 -2.495 -5.303) 5.860 28.049 ( 0.000 7.901 3.673) 8.713 28.117 ( 0.000 9.327 -3.371) 9.917 28.478 ( 0.000 -9.654 16.343) 18.982 28.751 ( 0.000 -3.767 -13.334) 13.856======================= Grid point 136 (47/60) =======================q-point: ( 0.12 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.275 ( 5.338 11.001 15.031) 19.377 1.429 ( 8.061 16.379 17.451) 25.254 1.548 ( -2.485 7.455 -11.026) 13.540 1.709 ( 5.615 14.721 -6.551) 17.063 1.805 ( 2.321 2.642 3.436) 4.916 1.869 ( 1.983 -0.539 -2.500) 3.236 1.919 ( 8.654 6.924 0.958) 11.124 2.027 ( 6.361 5.326 -8.320) 11.750 2.481 ( 3.007 10.704 19.938) 22.829 2.722 ( -0.173 -0.052 -6.498) 6.500 2.805 ( 1.681 4.783 4.927) 7.069 2.897 ( 1.068 0.804 -2.716) 3.027 2.903 ( 2.986 -2.936 3.856) 5.693 3.044 ( 11.681 -1.408 -5.392) 12.942 3.120 ( 8.428 2.120 -1.831) 8.881 3.221 ( 8.607 9.563 -14.214) 19.172 3.373 ( 0.453 -0.805 8.255) 8.306 3.537 ( 1.643 -2.761 -8.233) 8.837 3.619 ( 1.442 -3.911 4.734) 6.308 3.687 ( -0.698 -4.348 -1.290) 4.588 3.738 ( -2.588 -0.666 4.355) 5.110 3.774 ( -1.413 -1.374 -1.155) 2.284 3.991 ( 2.665 -0.905 3.023) 4.131 4.022 ( 3.877 0.393 2.047) 4.401 4.076 ( 10.790 -3.283 3.602) 11.840 4.176 ( 6.339 -3.306 -4.166) 8.274 4.288 ( 9.130 0.350 5.443) 10.635 4.414 ( 7.632 3.003 -5.883) 10.093 4.496 ( -10.249 -9.386 11.366) 17.953 4.644 ( -6.359 -3.256 -3.377) 7.902 4.799 ( 2.612 -6.009 -1.102) 6.645 4.832 ( 1.582 -4.795 -4.937) 7.062 4.995 ( -3.534 3.150 1.397) 4.936 5.020 ( -4.370 2.142 -1.442) 5.076 5.243 ( 3.359 0.402 3.470) 4.846 5.321 ( 6.336 -1.545 -4.812) 8.105 7.044 ( -6.971 5.757 7.773) 11.923 7.186 ( -7.074 6.687 -6.561) 11.739 7.284 ( -0.905 -0.228 6.763) 6.827 7.311 ( 1.250 5.104 5.578) 7.663 7.405 ( -1.703 0.811 -1.984) 2.738 7.508 ( 1.121 3.156 -7.886) 8.568 7.735 ( -4.081 2.795 1.141) 5.076 7.754 ( -1.858 2.003 -1.120) 2.953 7.987 ( 1.631 -3.352 2.389) 4.428 8.025 ( -1.618 -3.351 -1.132) 3.890 8.088 ( -4.148 0.638 2.892) 5.097 8.134 ( -5.974 2.011 -1.619) 6.508 8.606 ( 5.371 -2.744 8.681) 10.571 8.691 ( 1.191 3.740 8.370) 9.245 8.807 ( 2.418 -0.978 -6.908) 7.384 8.922 ( 5.688 0.889 -10.569) 12.035 9.268 ( 6.841 -7.728 6.913) 12.422 9.419 ( 4.150 -13.372 -6.565) 15.464 9.600 ( -1.581 1.597 1.331) 2.612 9.669 ( 1.957 6.838 -6.998) 9.978 10.205 ( 2.188 -1.863 8.224) 8.712 10.388 ( 0.907 -1.689 -10.207) 10.386 10.566 ( -1.558 -2.731 1.191) 3.362 10.601 ( 0.044 -0.198 -3.056) 3.063 11.151 ( 1.385 -11.289 5.332) 12.562 11.235 ( -4.357 -7.067 0.781) 8.339 11.284 ( -0.250 -7.386 -0.483) 7.406 11.366 ( -5.541 -4.537 -4.782) 8.611 12.239 ( -10.168 -3.445 12.051) 16.140 12.433 ( -13.573 2.443 -9.040) 16.489 12.907 ( 1.876 -3.858 7.076) 8.274 13.039 ( 4.465 -2.664 -6.565) 8.374 13.430 ( -9.893 18.773 10.552) 23.699 13.633 ( -7.116 19.951 -10.859) 23.804 14.978 ( -7.096 -6.086 9.997) 13.686 15.177 ( -5.277 -5.917 -9.406) 12.301 15.344 ( 5.332 2.815 7.295) 9.464 15.455 ( 1.015 1.202 -1.089) 1.913 15.809 ( 3.129 -6.078 1.263) 6.952 15.906 ( 0.780 -4.164 -8.311) 9.328 16.594 ( 11.824 -0.457 3.580) 12.363 16.658 ( 13.216 0.109 -2.950) 13.542 16.860 ( 0.105 -1.746 10.575) 10.719 17.046 ( -0.281 -1.915 -8.649) 8.863 24.652 ( -0.146 -0.078 5.770) 5.773 24.769 ( -0.398 -0.537 -6.432) 6.466 24.796 ( -0.176 -0.594 2.367) 2.447 24.839 ( -0.212 -0.745 -1.673) 1.843 25.340 ( -4.547 3.193 12.778) 13.934 25.438 ( -0.319 0.804 11.987) 12.018 25.575 ( -6.581 7.666 -10.097) 14.284 25.699 ( -0.689 3.873 -13.056) 13.636 27.511 ( -8.058 -0.810 3.105) 8.673 27.564 ( -7.804 -0.562 -2.172) 8.121 27.768 ( -1.367 -4.843 2.861) 5.789 27.829 ( -2.027 -3.264 -3.253) 5.034 28.162 ( 6.180 3.805 5.101) 8.871 28.203 ( 3.716 4.502 3.014) 6.570 28.560 ( 4.846 -7.791 5.114) 10.504 28.759 ( 4.549 -2.780 -14.461) 15.413======================= Grid point 137 (48/60) =======================q-point: ( 0.25 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.362 ( 3.343 5.806 5.087) 8.412 1.461 ( -2.926 5.593 -5.188) 8.170 1.666 ( 11.334 6.547 12.890) 18.371 1.849 ( 5.492 4.337 0.539) 7.018 1.864 ( 4.821 8.871 -0.221) 10.099 1.928 ( 3.452 3.467 -1.214) 5.041 2.101 ( 7.093 8.007 -2.488) 10.982 2.123 ( 2.462 5.827 -3.685) 7.321 2.508 ( -0.836 2.485 11.698) 11.988 2.674 ( -4.863 1.018 -4.451) 6.671 2.783 ( 0.967 2.251 2.354) 3.397 2.913 ( 2.257 3.022 -8.666) 9.451 3.168 ( 9.891 1.742 10.103) 14.246 3.220 ( 0.556 0.380 4.356) 4.407 3.271 ( 4.846 2.433 -0.968) 5.509 3.397 ( 2.351 -1.672 -10.802) 11.180 3.497 ( 14.980 -1.638 6.481) 16.403 3.631 ( 2.663 -1.028 -0.967) 3.014 3.672 ( 0.730 -3.053 0.686) 3.213 3.709 ( 8.428 -1.371 3.440) 9.206 3.734 ( 9.833 2.886 -6.485) 12.127 3.786 ( 3.191 -1.550 -3.513) 4.993 4.007 ( 0.075 -2.742 2.724) 3.865 4.064 ( 0.323 1.964 -2.162) 2.939 4.222 ( -6.684 -1.994 10.713) 12.783 4.351 ( 11.631 -3.050 1.314) 12.095 4.413 ( 8.160 -3.222 1.180) 8.852 4.449 ( -5.861 -0.224 -5.340) 7.932 4.509 ( 6.719 0.027 5.247) 8.525 4.620 ( 7.741 1.524 -4.175) 8.927 4.902 ( 5.939 -1.746 -0.332) 6.199 4.921 ( 3.908 -0.933 -1.462) 4.275 4.987 ( 5.341 2.916 -0.620) 6.116 5.010 ( 5.696 3.287 -2.455) 7.020 5.319 ( 4.083 -0.317 5.539) 6.888 5.448 ( 6.276 -2.739 -8.074) 10.586 6.934 ( -2.877 3.486 6.959) 8.298 7.063 ( -3.875 3.544 -6.340) 8.232 7.237 ( -3.811 -0.632 4.686) 6.073 7.296 ( -2.795 1.953 2.184) 4.049 7.356 ( -2.256 3.753 3.958) 5.903 7.517 ( -0.060 2.208 -7.293) 7.620 7.656 ( -3.509 0.681 2.688) 4.472 7.719 ( -1.519 -0.653 -3.225) 3.624 7.941 ( -3.458 0.556 1.089) 3.668 7.954 ( -4.581 -1.940 -0.022) 4.975 8.070 ( 1.151 0.636 2.082) 2.463 8.109 ( 0.618 0.651 -1.962) 2.158 8.565 ( -3.588 6.128 9.568) 11.915 8.735 ( -2.651 2.151 -6.244) 7.116 8.818 ( 3.388 -3.773 10.525) 11.683 9.051 ( 3.464 -8.061 -10.638) 13.790 9.342 ( -0.601 -10.531 5.293) 11.801 9.456 ( -2.182 -14.895 -6.193) 16.278 9.583 ( 0.555 3.455 5.189) 6.258 9.740 ( 4.134 6.765 -10.722) 13.335 10.263 ( 2.959 -0.027 8.390) 8.896 10.427 ( 2.478 -0.795 -7.901) 8.319 10.515 ( -2.773 0.189 2.460) 3.712 10.592 ( -0.700 2.609 -6.563) 7.097 11.040 ( -10.689 -4.124 5.464) 12.693 11.134 ( -7.613 -6.451 -3.624) 10.616 11.263 ( 1.506 -13.378 3.739) 13.972 11.354 ( 3.138 -14.085 -5.220) 15.345 12.033 ( -8.183 0.988 8.761) 12.029 12.174 ( -9.930 2.866 -6.343) 12.127 12.894 ( -2.185 -4.077 10.939) 11.876 13.087 ( -0.275 -2.263 -8.666) 8.961 13.258 ( -5.291 17.067 11.242) 21.111 13.500 ( -5.544 18.731 -13.381) 23.678 14.806 ( -7.409 -5.871 9.793) 13.612 15.012 ( -7.482 -5.827 -11.475) 14.886 15.446 ( -2.246 2.302 7.168) 7.857 15.490 ( 4.865 3.952 4.918) 7.967 15.781 ( -2.229 1.499 5.791) 6.383 16.012 ( 6.683 -1.105 -15.589) 16.997 16.828 ( 1.409 -2.439 10.186) 10.569 16.883 ( 11.084 -2.352 4.677) 12.258 16.976 ( 13.174 -2.529 -4.318) 14.093 17.034 ( -0.654 -1.754 -8.254) 8.464 24.646 ( -0.396 0.030 5.274) 5.289 24.755 ( -0.810 -0.005 -6.107) 6.160 24.798 ( 0.452 -0.813 2.984) 3.126 24.849 ( 1.145 -0.220 -1.618) 1.994 25.249 ( -3.683 3.474 10.574) 11.723 25.416 ( -1.743 2.326 3.717) 4.719 25.455 ( -3.976 4.278 -0.627) 5.874 25.660 ( -3.051 1.623 -11.793) 12.289 27.376 ( -4.799 0.061 3.813) 6.130 27.452 ( -3.408 0.246 -3.963) 5.233 27.692 ( -4.824 -4.342 2.719) 7.037 27.753 ( -4.463 -3.267 -3.315) 6.449 28.154 ( -2.579 2.706 8.370) 9.167 28.279 ( -0.533 3.105 -4.175) 5.231 28.633 ( 5.212 -2.208 13.663) 14.789 28.959 ( 10.146 -5.395 -19.531) 22.661======================= Grid point 138 (49/60) =======================q-point: ( 0.38 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.419 ( 1.012 4.336 -0.217) 4.458 1.433 ( 1.107 4.469 -1.513) 4.846 1.837 ( 3.544 -0.616 8.244) 8.994 1.949 ( 3.086 1.736 0.666) 3.603 1.960 ( 4.850 -1.094 0.934) 5.059 2.039 ( 6.079 5.340 -2.105) 8.361 2.153 ( 0.987 5.828 1.030) 6.000 2.211 ( 3.409 8.796 -4.134) 10.300 2.492 ( 0.919 5.979 8.701) 10.597 2.581 ( -2.728 5.856 -0.436) 6.474 2.852 ( 4.335 2.701 0.781) 5.167 2.888 ( -6.047 5.234 -1.744) 8.186 3.157 ( -4.339 5.984 6.964) 10.156 3.232 ( 1.358 -4.822 3.256) 5.974 3.342 ( 0.837 2.756 -6.237) 6.870 3.387 ( -1.279 -10.016 -7.476) 12.564 3.638 ( 1.461 -1.575 4.451) 4.943 3.695 ( 2.558 -1.935 -1.451) 3.520 3.764 ( 1.946 -2.804 1.041) 3.568 3.769 ( 2.333 -1.935 0.173) 3.036 3.957 ( 6.055 -1.835 3.667) 7.313 4.014 ( 1.420 -2.813 2.105) 3.789 4.061 ( 3.699 -0.968 -2.438) 4.535 4.076 ( 6.042 2.120 -2.181) 6.765 4.146 ( 2.148 2.437 3.928) 5.097 4.311 ( 1.771 3.180 -8.886) 9.603 4.503 ( -0.903 -2.158 4.789) 5.330 4.560 ( 1.538 -2.701 -0.556) 3.157 4.746 ( 15.600 1.717 6.483) 16.980 4.811 ( 12.652 4.753 0.108) 13.516 4.943 ( 1.343 1.913 1.407) 2.728 4.964 ( 1.455 0.751 -1.253) 2.062 5.150 ( 4.955 2.093 -1.062) 5.483 5.204 ( 5.262 3.505 -5.446) 8.344 5.443 ( 7.941 -0.453 5.950) 9.933 5.599 ( 7.389 -3.123 -9.996) 12.817 6.925 ( 1.761 1.954 5.843) 6.408 7.029 ( 0.441 0.826 -4.489) 4.585 7.130 ( -5.697 -0.227 3.255) 6.565 7.201 ( -5.474 -0.420 -3.257) 6.383 7.327 ( -0.757 5.498 9.942) 11.386 7.516 ( 0.171 1.645 -6.778) 6.977 7.588 ( -2.774 -0.434 3.557) 4.531 7.695 ( -0.688 -2.574 -5.312) 5.943 7.873 ( -2.495 -1.629 1.129) 3.187 7.888 ( -1.634 -0.145 -0.361) 1.679 8.079 ( -0.214 0.807 2.093) 2.254 8.117 ( 0.238 0.910 -1.878) 2.100 8.501 ( -2.468 7.109 9.120) 11.824 8.672 ( -2.827 4.718 -8.089) 9.782 8.868 ( 1.376 -7.256 11.216) 13.429 9.087 ( 0.860 -9.300 -10.172) 13.809 9.266 ( -5.186 -12.243 4.002) 13.885 9.352 ( -6.283 -13.239 -4.787) 15.416 9.606 ( 1.292 6.870 9.380) 11.698 9.817 ( 2.878 6.025 -11.945) 13.685 10.316 ( 1.778 1.780 9.218) 9.555 10.455 ( -0.730 0.964 0.682) 1.389 10.489 ( 1.159 -0.314 -3.898) 4.079 10.576 ( -1.038 3.157 -10.065) 10.599 10.824 ( -8.221 -2.165 7.132) 11.097 10.959 ( -6.869 -2.803 -6.780) 10.051 11.320 ( 2.583 -19.728 5.313) 20.594 11.415 ( 2.260 -17.965 -4.654) 18.695 11.908 ( -3.762 1.453 6.639) 7.768 12.024 ( -4.466 0.965 -5.521) 7.166 12.853 ( -1.233 -4.250 13.639) 14.339 13.072 ( 0.216 7.738 -2.455) 8.121 13.181 ( -2.962 7.946 1.644) 8.638 13.388 ( -4.885 19.015 -13.096) 23.600 14.693 ( -3.288 -5.177 9.706) 11.481 14.900 ( -3.094 -5.239 -11.760) 13.240 15.387 ( -2.558 3.100 6.808) 7.906 15.497 ( -2.521 5.985 -4.158) 7.711 15.798 ( 2.560 1.872 17.225) 17.515 16.126 ( 3.718 1.368 -16.207) 16.684 16.817 ( -0.767 -1.136 10.844) 10.931 17.007 ( -0.631 -1.558 -8.759) 8.918 17.103 ( 7.109 -3.630 5.341) 9.604 17.208 ( 7.712 -3.231 -5.358) 9.931 24.637 ( -0.359 0.126 4.692) 4.707 24.741 ( -0.405 0.243 -6.281) 6.299 24.812 ( 0.660 -1.177 4.196) 4.408 24.878 ( 1.295 -0.301 -1.658) 2.125 25.191 ( -1.841 3.057 9.315) 9.975 25.382 ( -0.724 4.144 -8.227) 9.240 25.405 ( -1.425 0.463 8.342) 8.475 25.581 ( -3.859 0.894 -9.137) 9.959 27.301 ( -2.465 0.063 4.795) 5.392 27.400 ( -1.694 0.100 -5.615) 5.866 27.599 ( -3.345 -3.973 3.367) 6.189 27.668 ( -3.049 -3.111 -3.652) 5.685 28.106 ( -1.660 4.093 7.450) 8.661 28.230 ( -2.528 4.200 -5.510) 7.375 28.751 ( 4.565 -1.818 17.941) 18.602 29.121 ( 5.093 -5.981 -20.272) 21.740======================= Grid point 139 (50/60) =======================q-point: (-0.50 0.14 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.425 ( 0.000 3.776 0.704) 3.841 1.456 ( -0.000 5.418 -2.415) 5.932 1.866 ( 0.000 -1.891 7.253) 7.495 1.967 ( 0.000 -2.358 -3.156) 3.939 2.033 ( -0.000 -4.727 3.122) 5.665 2.111 ( -0.000 -1.025 -3.875) 4.008 2.164 ( -0.000 8.924 3.769) 9.687 2.245 ( -0.000 8.671 -4.395) 9.721 2.517 ( -0.000 12.071 6.398) 13.662 2.597 ( -0.000 9.279 -1.798) 9.452 2.755 ( 0.000 4.057 9.906) 10.704 2.909 ( 0.000 3.227 -1.944) 3.768 3.097 ( 0.000 8.404 7.783) 11.455 3.262 ( -0.000 -8.187 3.091) 8.751 3.350 ( 0.000 3.912 -13.213) 13.780 3.357 ( -0.000 -11.556 -5.990) 13.016 3.654 ( 0.000 -1.255 5.998) 6.128 3.726 ( 0.000 -2.144 -1.420) 2.572 3.780 ( 0.000 -2.685 0.258) 2.698 3.791 ( 0.000 -1.442 -1.503) 2.083 3.971 ( 0.000 -0.338 5.335) 5.345 4.031 ( 0.000 -4.102 1.596) 4.401 4.068 ( 0.000 -1.635 -2.291) 2.815 4.103 ( 0.000 0.033 -8.182) 8.182 4.252 ( -0.000 4.651 9.710) 10.767 4.413 ( 0.000 4.759 -7.013) 8.475 4.459 ( 0.000 -3.087 5.558) 6.358 4.544 ( 0.000 -4.356 -3.104) 5.349 4.927 ( 0.000 -0.592 1.742) 1.840 4.943 ( 0.000 0.045 1.702) 1.703 5.014 ( 0.000 3.450 5.008) 6.081 5.049 ( 0.000 7.925 9.150) 12.105 5.169 ( -0.000 3.114 -9.004) 9.527 5.209 ( 0.000 2.824 -6.087) 6.710 5.549 ( 0.000 0.752 3.984) 4.054 5.690 ( 0.000 -2.505 -9.970) 10.279 6.977 ( 0.000 2.364 5.423) 5.916 7.021 ( -0.000 -2.509 4.735) 5.358 7.077 ( 0.000 2.557 -5.049) 5.659 7.110 ( -0.000 -2.354 -4.484) 5.065 7.319 ( 0.000 5.706 10.539) 11.984 7.525 ( 0.000 4.108 -10.725) 11.485 7.550 ( 0.000 -3.387 8.251) 8.920 7.689 ( 0.000 -3.400 -6.440) 7.282 7.847 ( 0.000 -2.388 1.822) 3.004 7.873 ( 0.000 -1.437 -0.871) 1.681 8.075 ( 0.000 1.265 2.643) 2.930 8.122 ( 0.000 1.722 -2.237) 2.823 8.470 ( 0.000 7.167 8.588) 11.185 8.634 ( 0.000 4.655 -8.059) 9.307 8.883 ( 0.000 -7.904 10.638) 13.253 9.102 ( 0.000 -9.802 -11.835) 15.367 9.194 ( 0.000 -12.054 4.745) 12.954 9.270 ( -0.000 -10.575 -3.180) 11.043 9.623 ( 0.000 7.502 10.582) 12.971 9.851 ( 0.000 5.495 -12.619) 13.764 10.333 ( 0.000 2.810 10.011) 10.398 10.445 ( 0.000 -0.196 2.722) 2.729 10.512 ( -0.000 0.602 -4.408) 4.449 10.551 ( 0.000 2.836 -12.277) 12.601 10.737 ( 0.000 -1.324 7.613) 7.727 10.884 ( 0.000 -1.967 -7.355) 7.614 11.350 ( 0.000 -21.352 5.220) 21.981 11.440 ( 0.000 -18.914 -4.182) 19.370 11.869 ( 0.000 1.005 5.941) 6.026 11.978 ( 0.000 -0.268 -5.390) 5.396 12.842 ( 0.000 -5.303 15.350) 16.241 13.092 ( 0.000 21.978 11.728) 24.911 13.136 ( 0.000 -6.823 -15.047) 16.521 13.326 ( 0.000 21.495 -12.439) 24.834 14.661 ( 0.000 -4.836 9.789) 10.918 14.870 ( 0.000 -4.985 -11.997) 12.991 15.358 ( 0.000 3.331 5.999) 6.862 15.462 ( 0.000 6.661 -4.759) 8.186 15.830 ( 0.000 1.769 18.731) 18.814 16.165 ( 0.000 1.936 -15.756) 15.875 16.808 ( 0.000 -0.720 10.673) 10.697 16.998 ( 0.000 -1.297 -8.951) 9.045 17.180 ( 0.000 -3.882 5.729) 6.921 17.290 ( 0.000 -3.340 -5.559) 6.485 24.633 ( -0.000 0.155 4.495) 4.498 24.737 ( -0.000 0.276 -6.492) 6.498 24.820 ( 0.000 -1.331 4.788) 4.970 24.893 ( 0.000 -0.409 -1.701) 1.750 25.172 ( 0.000 2.885 9.135) 9.580 25.381 ( 0.000 3.916 -11.460) 12.110 25.389 ( 0.000 0.031 8.479) 8.479 25.531 ( 0.000 0.663 -6.434) 6.468 27.274 ( 0.000 0.013 5.105) 5.105 27.381 ( 0.000 0.031 -6.169) 6.169 27.563 ( -0.000 -3.798 3.686) 5.292 27.635 ( 0.000 -2.940 -3.741) 4.758 28.088 ( 0.000 4.594 6.854) 8.251 28.201 ( 0.000 4.775 -4.948) 6.876 28.801 ( 0.000 -2.007 18.325) 18.434 29.175 ( 0.000 -6.104 -20.155) 21.059======================= Grid point 144 (51/60) =======================q-point: ( 0.00 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.560 ( 0.000 18.427 14.094) 23.199 1.584 ( 0.000 4.682 18.105) 18.700 1.751 ( 0.000 -0.584 2.700) 2.763 1.804 ( 0.000 4.926 -6.234) 7.945 1.894 ( 0.000 -2.528 -13.269) 13.508 1.932 ( 0.000 10.209 -13.690) 17.078 2.084 ( 0.000 23.794 1.888) 23.868 2.165 ( 0.000 20.795 -6.305) 21.730 2.746 ( 0.000 -9.422 4.245) 10.334 2.773 ( 0.000 1.774 2.443) 3.019 2.797 ( 0.000 9.774 7.338) 12.222 2.829 ( 0.000 0.059 -3.245) 3.246 2.836 ( 0.000 -6.017 -3.338) 6.881 2.892 ( 0.000 4.247 -3.445) 5.468 3.153 ( 0.000 15.063 9.416) 17.764 3.288 ( 0.000 -7.207 5.158) 8.862 3.379 ( 0.000 10.614 -8.031) 13.310 3.381 ( 0.000 -11.138 -4.140) 11.883 3.538 ( 0.000 -2.343 6.128) 6.561 3.624 ( 0.000 -3.990 -2.206) 4.560 3.695 ( 0.000 1.176 -0.757) 1.399 3.748 ( 0.000 -2.709 -3.647) 4.544 3.924 ( 0.000 0.057 4.530) 4.531 3.952 ( 0.000 3.187 10.519) 10.991 3.997 ( 0.000 0.780 -3.319) 3.409 4.112 ( 0.000 -0.378 -4.729) 4.744 4.149 ( 0.000 -2.937 8.790) 9.268 4.346 ( 0.000 -2.185 -11.040) 11.254 4.399 ( 0.000 -6.918 16.505) 17.896 4.588 ( 0.000 -6.927 4.042) 8.020 4.658 ( 0.000 -2.781 -3.329) 4.338 4.690 ( 0.000 -5.437 -13.733) 14.771 5.092 ( 0.000 1.144 1.529) 1.910 5.123 ( 0.000 1.445 -1.641) 2.187 5.210 ( 0.000 0.376 1.398) 1.447 5.225 ( 0.000 0.845 -0.114) 0.853 7.251 ( 0.000 -0.215 5.923) 5.927 7.310 ( 0.000 2.014 1.592) 2.568 7.325 ( 0.000 4.536 11.056) 11.951 7.429 ( 0.000 2.087 3.572) 4.137 7.478 ( 0.000 3.697 -3.741) 5.260 7.575 ( 0.000 5.385 -9.408) 10.841 7.773 ( 0.000 -11.077 4.692) 12.030 7.880 ( 0.000 4.871 2.531) 5.490 7.907 ( 0.000 -7.012 -8.661) 11.144 7.934 ( 0.000 6.386 -2.934) 7.028 8.136 ( 0.000 -0.240 5.865) 5.870 8.278 ( 0.000 -2.035 -9.672) 9.884 8.492 ( 0.000 2.335 3.447) 4.164 8.557 ( 0.000 2.870 -3.297) 4.371 8.960 ( 0.000 -12.310 5.970) 13.681 8.991 ( 0.000 15.001 6.385) 16.303 9.056 ( 0.000 -15.861 -3.882) 16.329 9.105 ( 0.000 12.536 -5.420) 13.657 9.671 ( 0.000 2.775 3.225) 4.255 9.754 ( 0.000 2.559 -5.592) 6.150 10.102 ( 0.000 -4.571 10.006) 11.001 10.336 ( 0.000 -2.604 -14.128) 14.366 10.400 ( 0.000 -12.889 6.576) 14.470 10.535 ( 0.000 -5.498 -7.586) 9.368 10.955 ( 0.000 -5.621 3.907) 6.846 11.030 ( 0.000 -8.773 -4.053) 9.663 11.210 ( 0.000 -6.697 4.948) 8.327 11.289 ( 0.000 -8.192 -3.334) 8.845 12.352 ( 0.000 4.993 17.563) 18.259 12.681 ( 0.000 4.780 -17.301) 17.949 12.795 ( 0.000 -3.735 8.288) 9.091 12.957 ( 0.000 -1.182 -8.308) 8.392 13.964 ( 0.000 18.227 11.093) 21.337 14.167 ( 0.000 19.813 -10.245) 22.305 14.873 ( 0.000 -10.140 9.997) 14.240 15.057 ( 0.000 -8.129 -7.898) 11.334 15.360 ( 0.000 1.299 4.679) 4.856 15.495 ( 0.000 2.389 -8.133) 8.477 15.510 ( 0.000 -7.561 13.754) 15.696 15.751 ( 0.000 -6.289 -11.705) 13.287 16.517 ( 0.000 3.699 4.756) 6.025 16.600 ( 0.000 5.869 -3.893) 7.043 16.804 ( 0.000 -3.533 10.266) 10.857 16.985 ( 0.000 -4.126 -8.512) 9.459 24.658 ( 0.000 0.686 5.089) 5.135 24.761 ( 0.000 -0.179 -5.669) 5.671 24.773 ( 0.000 -1.865 2.571) 3.176 24.818 ( 0.000 -1.168 -2.049) 2.359 25.456 ( 0.000 1.598 14.212) 14.302 25.472 ( 0.000 2.691 19.988) 20.168 25.728 ( 0.000 3.674 -13.991) 14.466 25.865 ( 0.000 3.798 -21.515) 21.847 27.590 ( 0.000 -3.360 3.737) 5.025 27.643 ( 0.000 -3.438 5.397) 6.399 27.658 ( 0.000 -2.595 -3.331) 4.223 27.742 ( 0.000 -3.281 -4.902) 5.899 28.201 ( 0.000 6.147 5.596) 8.312 28.307 ( 0.000 8.336 -5.260) 9.856 28.346 ( 0.000 -2.957 17.029) 17.284 28.648 ( 0.000 -4.991 -14.721) 15.544======================= Grid point 145 (52/60) =======================q-point: ( 0.12 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.527 ( -1.007 9.689 11.485) 15.060 1.668 ( 3.629 7.477 10.386) 13.302 1.730 ( -5.731 6.096 -8.732) 12.093 1.810 ( 2.087 0.077 -0.491) 2.145 1.856 ( 4.755 4.626 1.602) 6.825 2.064 ( 5.432 7.466 -13.644) 16.474 2.164 ( 6.665 19.122 2.051) 20.354 2.238 ( 5.543 17.389 -5.184) 18.973 2.684 ( -4.723 1.564 4.446) 6.672 2.742 ( -1.227 -3.238 -0.603) 3.514 2.771 ( -0.794 -0.676 2.381) 2.599 2.846 ( 4.142 -1.143 -3.797) 5.734 2.994 ( 10.320 3.976 2.202) 11.276 3.027 ( 9.598 -0.544 -1.711) 9.764 3.251 ( 6.853 10.941 6.908) 14.642 3.300 ( 2.660 -2.725 6.109) 7.199 3.380 ( 0.616 -7.092 -3.457) 7.914 3.479 ( 8.294 5.462 -5.072) 11.151 3.551 ( 1.669 -2.483 4.028) 5.017 3.609 ( 0.676 -1.963 -0.457) 2.126 3.726 ( -1.257 -1.190 -1.591) 2.351 3.735 ( 0.989 1.766 -3.672) 4.193 3.956 ( 1.033 -0.444 8.126) 8.204 4.047 ( 9.961 1.866 5.839) 11.696 4.069 ( 5.159 0.653 -2.935) 5.971 4.141 ( 2.977 -0.667 -2.927) 4.228 4.249 ( 8.878 -4.065 6.940) 11.979 4.349 ( -2.793 -3.258 12.246) 12.977 4.417 ( 6.450 -3.365 -8.454) 11.153 4.580 ( -4.318 -1.742 -8.401) 9.605 4.656 ( 5.123 -6.853 3.258) 9.156 4.753 ( 5.020 -2.791 -7.053) 9.096 5.058 ( -1.775 3.109 1.527) 3.892 5.079 ( -2.023 3.381 -0.487) 3.970 5.245 ( 2.278 -0.579 2.020) 3.099 5.286 ( 3.976 -1.971 -2.304) 5.001 7.164 ( -7.732 5.086 8.823) 12.786 7.225 ( -2.743 0.049 4.340) 5.135 7.349 ( -1.247 -0.290 -2.061) 2.426 7.374 ( -6.667 4.893 -6.013) 10.225 7.478 ( 1.677 5.104 7.075) 8.883 7.582 ( -1.136 1.259 -0.703) 1.836 7.742 ( -1.788 -2.389 -0.155) 2.988 7.805 ( -5.744 2.072 -5.628) 8.304 7.901 ( 0.173 -2.795 1.127) 3.018 7.943 ( -0.844 -2.297 -3.029) 3.894 8.115 ( -1.422 1.094 3.655) 4.071 8.186 ( -3.789 1.896 -3.772) 5.673 8.556 ( 4.182 -0.774 6.358) 7.650 8.694 ( 7.067 -2.622 -8.086) 11.054 8.909 ( -2.340 4.030 7.915) 9.185 9.018 ( -0.221 -0.180 -0.205) 0.351 9.079 ( 2.093 -12.757 -1.816) 13.054 9.113 ( 0.389 5.973 -4.431) 7.447 9.676 ( 0.948 4.456 5.128) 6.859 9.791 ( 3.318 3.416 -6.693) 8.214 10.143 ( 3.475 -4.158 9.430) 10.876 10.342 ( 1.061 -3.452 -8.799) 9.511 10.427 ( 2.004 -11.705 3.013) 12.252 10.557 ( 1.433 -5.965 -8.673) 10.624 10.917 ( -3.245 -7.138 3.751) 8.692 10.989 ( -3.605 -10.395 -3.740) 11.621 11.158 ( -4.764 -6.247 4.641) 9.124 11.235 ( -4.911 -7.577 -3.398) 9.647 12.283 ( -5.699 6.909 14.831) 17.325 12.546 ( -9.712 7.609 -12.454) 17.530 12.811 ( -0.336 -5.411 7.736) 9.446 12.978 ( 0.995 -3.607 -8.851) 9.610 13.838 ( -9.070 19.124 11.332) 24.008 14.056 ( -7.840 19.436 -11.563) 23.936 14.796 ( -7.237 -10.953 10.431) 16.767 15.003 ( -6.641 -10.496 -10.679) 16.380 15.414 ( 7.073 3.518 8.630) 11.699 15.486 ( 2.662 1.432 6.450) 7.123 15.709 ( 11.919 -2.329 -3.298) 12.584 15.827 ( 4.120 -3.335 -11.080) 12.283 16.601 ( 7.646 1.293 4.982) 9.217 16.688 ( 8.038 2.833 -3.899) 9.372 16.807 ( 0.444 -3.257 9.800) 10.337 16.984 ( -0.109 -3.926 -8.414) 9.286 24.657 ( -0.090 0.692 5.140) 5.187 24.761 ( -0.051 -0.077 -5.645) 5.645 24.771 ( -0.161 -1.779 2.665) 3.208 24.821 ( 0.301 -1.041 -2.364) 2.600 25.417 ( -3.409 3.368 15.835) 16.545 25.461 ( -0.907 1.267 15.526) 15.604 25.693 ( -3.847 4.168 -13.104) 14.279 25.796 ( -5.039 3.661 -18.024) 19.070 27.494 ( -6.034 -0.573 3.772) 7.139 27.550 ( -5.568 -0.698 -0.989) 5.698 27.661 ( -1.925 -4.854 2.021) 5.600 27.734 ( -2.284 -5.180 -4.409) 7.176 28.245 ( 1.286 4.066 7.442) 8.577 28.317 ( 3.533 5.312 4.082) 7.573 28.461 ( 6.641 -1.296 3.641) 7.684 28.679 ( 4.292 -4.151 -13.977) 15.199======================= Grid point 146 (53/60) =======================q-point: ( 0.25 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.519 ( 0.410 7.799 3.451) 8.538 1.592 ( -4.717 6.308 -4.054) 8.859 1.757 ( 3.503 1.820 5.738) 6.965 1.859 ( 2.026 -2.178 -3.835) 4.853 1.972 ( 4.474 6.656 6.721) 10.464 2.131 ( 0.603 5.994 -7.892) 9.929 2.287 ( 4.154 13.762 1.919) 14.503 2.345 ( 4.833 13.407 -4.129) 14.837 2.608 ( -1.721 0.979 4.983) 5.362 2.697 ( -0.998 -1.519 -4.611) 4.956 2.810 ( 3.607 4.235 8.569) 10.216 2.980 ( 6.311 4.364 -9.159) 11.948 3.134 ( -0.314 -3.497 3.652) 5.066 3.182 ( 3.592 -6.049 -1.672) 7.231 3.344 ( 4.436 1.807 0.874) 4.869 3.378 ( -1.539 -0.613 -0.127) 1.662 3.470 ( 9.046 0.602 7.112) 11.522 3.598 ( 3.291 -1.940 -3.331) 5.069 3.643 ( 3.903 -1.132 5.994) 7.242 3.673 ( 2.472 0.386 5.494) 6.037 3.765 ( 8.138 0.146 -4.017) 9.077 3.820 ( 8.492 4.161 -7.387) 12.000 3.976 ( 2.234 0.887 5.325) 5.843 4.086 ( -1.626 -0.584 -5.294) 5.569 4.193 ( -0.039 -0.141 8.753) 8.754 4.305 ( 8.497 -1.238 -1.499) 8.716 4.400 ( 8.310 1.999 3.525) 9.245 4.457 ( 7.435 -4.593 7.180) 11.311 4.492 ( 3.559 4.898 -5.299) 8.046 4.613 ( 10.269 -1.601 -6.464) 12.240 4.845 ( 10.864 -3.352 1.693) 11.495 4.901 ( 7.281 -1.281 -3.500) 8.180 5.064 ( 3.606 3.916 1.505) 5.532 5.089 ( 4.841 3.875 -1.008) 6.282 5.301 ( 3.356 -1.566 2.914) 4.712 5.374 ( 4.799 -4.201 -4.668) 7.904 7.028 ( -4.639 4.952 7.187) 9.884 7.134 ( -5.152 2.442 -0.875) 5.768 7.243 ( -5.367 1.697 -0.906) 5.701 7.299 ( -3.822 -0.566 -3.799) 5.419 7.469 ( -1.703 4.518 7.164) 8.640 7.536 ( -2.492 -1.085 2.497) 3.691 7.690 ( -3.597 -0.924 -2.437) 4.442 7.715 ( -2.592 3.299 -5.682) 7.063 7.869 ( -3.058 -4.096 1.240) 5.260 7.897 ( -2.903 -2.860 -1.684) 4.409 8.107 ( 0.590 1.507 2.719) 3.164 8.158 ( 0.086 2.679 -2.601) 3.735 8.619 ( 1.669 -2.350 8.053) 8.554 8.774 ( 0.914 -0.663 -7.199) 7.287 8.872 ( -1.281 6.172 8.043) 10.219 9.000 ( -1.358 1.583 -1.861) 2.796 9.086 ( -1.434 -13.681 -1.454) 13.832 9.104 ( -1.821 -2.379 -6.137) 6.829 9.718 ( 2.642 7.068 8.179) 11.128 9.878 ( 4.294 4.887 -7.987) 10.301 10.226 ( 3.977 -3.824 9.005) 10.561 10.380 ( 2.101 -6.501 -3.384) 7.624 10.460 ( 0.632 -7.633 -0.997) 7.724 10.566 ( -0.775 -7.589 -9.247) 11.987 10.843 ( -3.360 -9.054 3.212) 10.178 10.901 ( -4.067 -12.571 -2.265) 13.405 11.029 ( -6.649 -7.496 3.133) 10.499 11.099 ( -7.304 -7.243 -3.664) 10.920 12.152 ( -5.948 9.325 10.555) 15.289 12.340 ( -8.971 10.904 -9.004) 16.746 12.773 ( -2.826 -7.303 10.600) 13.179 12.977 ( -0.921 -7.100 -10.445) 12.664 13.672 ( -6.065 19.940 11.558) 23.832 13.908 ( -5.804 19.162 -13.063) 23.906 14.635 ( -6.611 -10.245 10.053) 15.803 14.843 ( -6.699 -10.055 -11.518) 16.693 15.515 ( -0.457 4.066 10.822) 11.570 15.592 ( 7.341 4.890 8.281) 12.098 15.821 ( -0.404 2.333 -2.489) 3.436 15.988 ( 9.910 -1.183 -14.256) 17.402 16.775 ( 3.838 -2.156 8.999) 10.018 16.828 ( 7.009 -2.688 5.826) 9.502 16.920 ( 10.530 -2.427 -4.835) 11.839 16.982 ( 0.145 -3.037 -7.792) 8.365 24.653 ( -0.265 0.767 5.093) 5.158 24.757 ( -0.295 0.251 -5.281) 5.295 24.770 ( 0.153 -1.735 2.884) 3.369 24.835 ( 1.016 -1.142 -3.139) 3.491 25.336 ( -3.759 4.191 13.410) 14.544 25.435 ( -1.490 0.451 12.656) 12.751 25.577 ( -5.775 5.533 -10.841) 13.472 25.697 ( -4.544 1.554 -13.775) 14.589 27.380 ( -4.573 0.352 4.349) 6.321 27.454 ( -3.426 -0.057 -2.559) 4.276 27.584 ( -4.598 -5.289 2.162) 7.334 27.657 ( -4.237 -5.391 -4.392) 8.143 28.244 ( -0.521 5.738 8.529) 10.292 28.377 ( 0.464 6.069 -4.553) 7.601 28.582 ( 5.808 -2.636 10.398) 12.199 28.830 ( 7.958 -6.498 -14.221) 17.544======================= Grid point 147 (54/60) =======================q-point: ( 0.38 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.530 ( -0.797 5.898 -0.602) 5.982 1.548 ( 1.623 5.849 -2.418) 6.534 1.812 ( 1.071 -1.933 3.783) 4.381 1.876 ( -0.542 -4.876 -2.705) 5.602 2.018 ( 0.607 4.544 4.739) 6.593 2.123 ( -0.034 4.125 -5.226) 6.658 2.363 ( 2.317 11.798 2.583) 12.298 2.423 ( 2.188 8.903 -3.313) 9.748 2.632 ( 4.348 2.563 6.242) 8.027 2.732 ( 3.995 5.232 -2.572) 7.068 2.895 ( 3.724 3.159 6.336) 8.000 3.008 ( -6.098 4.558 0.437) 7.625 3.108 ( 1.234 -2.426 -2.225) 3.516 3.174 ( -2.387 -6.373 -4.866) 8.366 3.312 ( -3.154 5.281 6.488) 8.940 3.411 ( 1.441 2.186 -3.609) 4.459 3.593 ( 2.109 -2.209 5.055) 5.905 3.660 ( 2.827 -1.543 -1.972) 3.776 3.702 ( 1.151 -2.391 2.015) 3.332 3.731 ( 4.042 -0.840 -2.081) 4.623 3.901 ( 0.684 -5.890 4.490) 7.437 3.929 ( 3.743 -0.822 2.126) 4.383 4.037 ( -1.484 -1.662 -4.444) 4.971 4.086 ( 2.428 -1.145 -7.861) 8.307 4.237 ( 5.761 5.093 9.091) 11.907 4.381 ( 4.011 3.031 -5.514) 7.462 4.469 ( -0.645 -1.455 4.746) 5.006 4.532 ( 1.082 -0.900 -1.272) 1.897 4.804 ( 14.961 4.486 4.814) 16.344 4.875 ( 10.226 2.145 -2.120) 10.661 4.992 ( 5.047 2.051 0.611) 5.482 5.012 ( 7.478 3.967 -0.588) 8.485 5.184 ( 3.926 0.480 2.931) 4.923 5.260 ( 5.301 1.615 -4.567) 7.181 5.428 ( 9.422 -1.415 3.436) 10.129 5.521 ( 8.786 -4.007 -6.127) 11.437 6.973 ( -0.753 2.419 5.229) 5.810 7.049 ( -2.641 1.152 0.229) 2.891 7.129 ( -5.087 0.229 -0.514) 5.118 7.195 ( -5.339 -0.078 -4.584) 7.038 7.450 ( 0.162 2.562 6.883) 7.346 7.493 ( -1.407 -1.158 4.478) 4.834 7.624 ( -2.519 -1.547 -4.151) 5.096 7.653 ( -3.042 0.205 -5.231) 6.054 7.804 ( -2.514 -2.306 1.783) 3.849 7.844 ( -1.856 -0.571 -2.496) 3.163 8.110 ( -0.505 1.130 2.596) 2.876 8.158 ( -0.239 2.011 -2.338) 3.093 8.635 ( 0.040 -0.795 6.884) 6.930 8.760 ( -1.787 2.098 -4.801) 5.536 8.852 ( -0.639 7.783 7.766) 11.014 8.959 ( -2.499 -6.368 2.218) 7.191 9.041 ( -2.079 -9.505 -3.644) 10.390 9.052 ( -2.090 0.311 -8.603) 8.858 9.765 ( 1.513 7.901 9.967) 12.809 9.951 ( 2.390 5.901 -8.751) 10.822 10.296 ( 2.413 -4.140 9.229) 10.398 10.415 ( 0.738 -10.985 0.009) 11.010 10.445 ( -1.355 -4.559 -3.303) 5.790 10.546 ( -0.671 -8.004 -10.349) 13.100 10.763 ( -3.910 -3.054 5.203) 7.189 10.849 ( -0.757 -10.969 -1.900) 11.158 10.913 ( -4.136 -11.114 0.118) 11.859 10.969 ( -4.006 -14.448 -3.649) 15.431 12.050 ( -3.471 10.193 7.631) 13.197 12.190 ( -5.000 11.888 -6.790) 14.575 12.715 ( -2.195 -8.381 12.296) 15.042 12.954 ( -0.961 -9.805 -12.321) 15.776 13.581 ( -2.698 20.492 11.260) 23.537 13.812 ( -3.258 19.839 -12.673) 23.766 14.538 ( -2.681 -9.540 9.817) 13.949 14.745 ( -2.669 -9.439 -11.718) 15.282 15.485 ( -1.651 6.134 10.794) 12.525 15.666 ( -0.035 9.416 -5.621) 10.966 15.828 ( 1.576 0.621 14.336) 14.436 16.144 ( 4.680 -0.348 -16.059) 16.730 16.796 ( 0.349 -0.464 9.831) 9.848 16.968 ( 0.952 -1.868 -6.912) 7.223 17.007 ( 5.438 -5.016 4.858) 8.850 17.122 ( 6.940 -4.646 -5.886) 10.217 24.647 ( -0.270 0.902 4.897) 4.987 24.751 ( -0.177 0.780 -5.929) 5.983 24.776 ( 0.326 -2.133 4.272) 4.786 24.858 ( 1.016 -1.546 -3.759) 4.190 25.272 ( -2.127 4.198 11.569) 12.490 25.403 ( -1.380 -0.150 10.403) 10.496 25.489 ( -2.271 4.803 -10.219) 11.518 25.601 ( -4.213 0.795 -10.361) 11.213 27.304 ( -2.539 0.367 4.993) 5.613 27.401 ( -1.693 0.013 -4.616) 4.917 27.497 ( -3.142 -5.212 3.531) 7.036 27.581 ( -2.610 -4.840 -4.585) 7.160 28.233 ( -0.388 7.804 7.384) 10.751 28.361 ( -1.107 8.176 -5.903) 10.145 28.691 ( 3.898 -3.984 13.251) 14.375 28.963 ( 4.274 -8.718 -14.647) 17.573======================= Grid point 148 (55/60) =======================q-point: (-0.50 0.29 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( 0.000 5.343 0.752) 5.396 1.575 ( 0.000 5.289 -4.511) 6.951 1.812 ( 0.000 -3.042 2.743) 4.096 1.862 ( 0.000 -5.758 -2.533) 6.290 2.025 ( 0.000 3.349 5.034) 6.046 2.130 ( 0.000 3.583 -5.118) 6.248 2.378 ( -0.000 9.662 2.849) 10.073 2.444 ( -0.000 8.104 -3.622) 8.877 2.736 ( -0.000 1.060 7.030) 7.109 2.821 ( -0.000 12.019 0.437) 12.027 2.842 ( 0.000 3.500 7.615) 8.381 2.959 ( 0.000 0.859 -4.135) 4.223 3.090 ( -0.000 -7.339 0.095) 7.339 3.167 ( 0.000 0.845 -6.016) 6.075 3.273 ( 0.000 6.632 8.560) 10.828 3.423 ( 0.000 2.407 -6.042) 6.504 3.608 ( 0.000 -2.710 5.797) 6.399 3.690 ( 0.000 -0.866 -1.496) 1.728 3.718 ( 0.000 -2.873 1.249) 3.133 3.778 ( 0.000 0.317 -4.932) 4.942 3.910 ( 0.000 -6.499 4.713) 8.028 3.954 ( 0.000 -1.258 5.522) 5.663 4.018 ( 0.000 -2.698 -6.302) 6.855 4.092 ( 0.000 -1.166 -8.157) 8.240 4.352 ( -0.000 3.911 9.308) 10.096 4.413 ( 0.000 -1.224 5.550) 5.683 4.490 ( 0.000 -0.922 -2.645) 2.801 4.495 ( -0.000 2.270 -5.300) 5.766 4.930 ( 0.000 1.557 1.556) 2.202 4.957 ( 0.000 1.567 -0.945) 1.830 5.126 ( -0.000 7.309 6.827) 10.001 5.152 ( 0.000 0.686 4.934) 4.981 5.222 ( -0.000 -1.896 -2.220) 2.919 5.274 ( 0.000 6.687 -8.008) 10.433 5.559 ( 0.000 -0.826 2.454) 2.589 5.636 ( 0.000 -2.478 -5.587) 6.112 6.978 ( 0.000 -1.023 4.577) 4.690 7.014 ( -0.000 0.975 5.870) 5.951 7.072 ( 0.000 -0.778 -5.079) 5.139 7.123 ( -0.000 1.337 -5.632) 5.788 7.467 ( 0.000 -3.958 7.312) 8.315 7.469 ( -0.000 5.828 7.792) 9.730 7.597 ( 0.000 -4.776 -6.257) 7.872 7.612 ( -0.000 0.261 -6.743) 6.749 7.776 ( 0.000 -1.323 2.253) 2.612 7.824 ( 0.000 0.553 -2.916) 2.968 8.100 ( 0.000 0.561 2.995) 3.047 8.154 ( 0.000 0.839 -2.622) 2.752 8.632 ( 0.000 0.957 5.500) 5.583 8.730 ( 0.000 2.426 -4.112) 4.774 8.845 ( 0.000 11.086 8.418) 13.920 8.925 ( 0.000 -12.894 4.893) 13.791 9.019 ( 0.000 -12.299 -4.715) 13.172 9.032 ( 0.000 8.749 -9.927) 13.233 9.780 ( 0.000 7.750 10.469) 13.025 9.976 ( 0.000 6.019 -9.245) 11.032 10.323 ( 0.000 -4.481 10.228) 11.167 10.404 ( 0.000 -6.643 0.411) 6.656 10.442 ( -0.000 -12.161 -3.700) 12.711 10.538 ( 0.000 -4.653 -11.671) 12.565 10.718 ( 0.000 -0.441 6.631) 6.645 10.850 ( 0.000 -1.184 -6.997) 7.097 10.860 ( -0.000 -16.870 3.952) 17.326 10.932 ( 0.000 -22.579 -3.447) 22.840 12.013 ( 0.000 10.293 6.605) 12.230 12.136 ( 0.000 11.934 -6.063) 13.386 12.691 ( 0.000 -8.838 12.891) 15.630 12.943 ( 0.000 -11.096 -13.171) 17.222 13.553 ( 0.000 20.969 11.005) 23.681 13.777 ( 0.000 20.474 -12.136) 23.800 14.512 ( 0.000 -9.292 9.777) 13.488 14.719 ( -0.000 -9.324 -11.809) 15.047 15.465 ( 0.000 6.813 10.406) 12.438 15.655 ( 0.000 11.319 -9.251) 14.619 15.851 ( 0.000 -0.585 18.973) 18.982 16.192 ( 0.000 -0.328 -16.282) 16.286 16.800 ( 0.000 0.356 9.548) 9.555 16.972 ( 0.000 -0.694 -8.181) 8.210 17.073 ( 0.000 -6.015 6.557) 8.898 17.197 ( 0.000 -5.266 -6.195) 8.131 24.644 ( -0.000 0.967 4.816) 4.912 24.750 ( 0.000 0.988 -6.326) 6.402 24.780 ( 0.000 -2.356 4.984) 5.513 24.870 ( 0.000 -1.751 -3.989) 4.356 25.249 ( 0.000 4.089 11.114) 11.842 25.387 ( 0.000 -0.338 9.260) 9.266 25.472 ( 0.000 4.126 -11.561) 12.276 25.547 ( -0.000 0.775 -7.536) 7.576 27.276 ( 0.000 0.360 5.176) 5.189 27.382 ( 0.000 0.229 -5.885) 5.889 27.463 ( -0.000 -5.295 4.652) 7.048 27.553 ( 0.000 -4.576 -4.640) 6.517 28.229 ( 0.000 8.554 6.799) 10.927 28.348 ( 0.000 9.036 -5.545) 10.602 28.733 ( 0.000 -4.544 13.531) 14.274 29.007 ( 0.000 -9.409 -14.664) 17.423======================= Grid point 153 (56/60) =======================q-point: ( 0.00 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( 0.000 2.065 8.997) 9.231 1.684 ( 0.000 -1.713 4.270) 4.601 1.792 ( 0.000 1.125 -6.350) 6.449 1.830 ( 0.000 -2.762 -10.357) 10.719 2.051 ( 0.000 19.546 8.745) 21.413 2.251 ( 0.000 16.815 -11.396) 20.313 2.417 ( 0.000 -9.929 6.992) 12.144 2.545 ( 0.000 5.824 -3.626) 6.861 2.578 ( 0.000 8.867 -1.100) 8.935 2.615 ( 0.000 -1.190 -7.591) 7.684 2.781 ( 0.000 -2.484 -0.436) 2.522 2.797 ( 0.000 -4.693 -1.801) 5.027 2.950 ( 0.000 3.151 0.288) 3.164 2.963 ( 0.000 4.616 -0.487) 4.642 3.088 ( 0.000 -10.061 1.165) 10.129 3.118 ( 0.000 -11.978 -1.644) 12.090 3.452 ( 0.000 3.652 9.224) 9.920 3.494 ( 0.000 -1.908 7.701) 7.934 3.557 ( 0.000 8.028 0.284) 8.033 3.588 ( 0.000 -0.083 -1.056) 1.059 3.722 ( 0.000 7.976 6.263) 10.141 3.864 ( 0.000 8.829 -5.755) 10.539 3.921 ( 0.000 -1.865 5.157) 5.484 3.996 ( 0.000 -4.362 -1.952) 4.779 4.027 ( 0.000 3.160 2.889) 4.282 4.048 ( 0.000 -3.249 6.994) 7.712 4.097 ( 0.000 0.067 -1.212) 1.214 4.217 ( 0.000 -8.775 -7.879) 11.793 4.356 ( 0.000 2.169 13.057) 13.235 4.450 ( 0.000 -5.946 9.007) 10.793 4.630 ( 0.000 -0.576 -14.001) 14.013 4.634 ( 0.000 -0.377 -9.635) 9.642 5.137 ( 0.000 2.820 1.941) 3.424 5.168 ( 0.000 2.636 -1.338) 2.956 5.192 ( 0.000 -2.028 1.863) 2.753 5.217 ( 0.000 -1.623 -0.740) 1.784 7.276 ( 0.000 2.602 6.561) 7.058 7.340 ( 0.000 -2.418 9.698) 9.995 7.368 ( 0.000 4.382 -2.315) 4.956 7.482 ( 0.000 -3.733 -4.722) 6.019 7.490 ( 0.000 2.854 7.891) 8.391 7.562 ( 0.000 -6.656 9.328) 11.460 7.682 ( 0.000 4.662 -11.004) 11.951 7.778 ( 0.000 -5.044 -12.085) 13.096 7.995 ( 0.000 6.085 3.402) 6.972 8.069 ( 0.000 6.772 -4.189) 7.963 8.106 ( 0.000 -3.562 4.263) 5.556 8.205 ( 0.000 -5.442 -6.289) 8.317 8.565 ( 0.000 4.849 3.646) 6.067 8.634 ( 0.000 4.698 -3.545) 5.886 8.715 ( 0.000 -9.872 3.438) 10.453 8.778 ( 0.000 -9.838 -3.196) 10.344 9.368 ( 0.000 19.545 3.469) 19.851 9.430 ( 0.000 17.198 -3.079) 17.472 9.684 ( 0.000 -5.214 0.845) 5.282 9.707 ( 0.000 -7.902 -1.597) 8.062 10.010 ( 0.000 -3.182 12.672) 13.065 10.081 ( 0.000 -13.039 13.032) 18.435 10.293 ( 0.000 -0.742 -16.211) 16.228 10.358 ( 0.000 -7.953 -15.353) 17.290 10.944 ( 0.000 3.710 2.707) 4.593 10.981 ( 0.000 3.456 -1.266) 3.680 11.063 ( 0.000 -6.890 3.514) 7.734 11.113 ( 0.000 -8.082 -1.790) 8.278 12.513 ( 0.000 8.910 14.834) 17.304 12.684 ( 0.000 -6.927 11.334) 13.283 12.801 ( 0.000 5.921 -15.151) 16.266 12.906 ( 0.000 -3.790 -11.524) 12.132 14.318 ( 0.000 15.709 11.937) 19.730 14.543 ( 0.000 16.088 -11.565) 19.813 14.623 ( 0.000 -13.413 11.274) 17.522 14.841 ( 0.000 -12.377 -11.148) 16.657 15.383 ( 0.000 0.999 8.984) 9.040 15.413 ( 0.000 -2.393 12.409) 12.637 15.562 ( 0.000 3.693 -9.393) 10.093 15.644 ( 0.000 -4.271 -11.596) 12.357 16.608 ( 0.000 4.943 7.039) 8.601 16.714 ( 0.000 -4.918 8.992) 10.249 16.736 ( 0.000 6.918 -6.213) 9.298 16.876 ( 0.000 -6.166 -7.790) 9.935 24.684 ( 0.000 1.788 4.175) 4.541 24.728 ( 0.000 -2.280 3.286) 4.000 24.768 ( 0.000 0.854 -4.646) 4.724 24.792 ( 0.000 -1.303 -3.446) 3.684 25.488 ( 0.000 1.319 16.692) 16.744 25.503 ( 0.000 0.201 19.291) 19.292 25.810 ( 0.000 3.906 -16.680) 17.131 25.877 ( 0.000 -1.972 -19.705) 19.804 27.553 ( 0.000 -0.189 4.689) 4.692 27.578 ( 0.000 -2.422 5.408) 5.926 27.637 ( 0.000 0.563 -4.109) 4.148 27.675 ( 0.000 -2.803 -4.753) 5.518 28.294 ( 0.000 2.675 8.539) 8.948 28.321 ( 0.000 -0.415 12.633) 12.640 28.455 ( 0.000 5.777 -8.024) 9.887 28.555 ( 0.000 -4.176 -11.579) 12.309======================= Grid point 154 (57/60) =======================q-point: ( 0.12 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.644 ( 0.235 3.524 6.867) 7.722 1.706 ( 1.696 -2.212 3.543) 4.508 1.789 ( -3.155 0.643 -7.976) 8.602 1.799 ( 0.250 -0.375 -5.528) 5.547 2.119 ( 4.196 16.727 6.648) 18.482 2.273 ( 0.761 13.183 -8.626) 15.773 2.463 ( 0.631 -14.678 4.702) 15.426 2.539 ( -3.021 -5.519 -2.602) 6.809 2.569 ( 2.156 16.705 0.180) 16.844 2.625 ( 2.901 8.656 -5.977) 10.911 2.808 ( 2.473 -3.883 0.529) 4.634 2.843 ( 5.494 -4.392 -3.313) 7.775 3.024 ( 5.789 1.930 0.133) 6.104 3.032 ( 5.565 3.010 -0.229) 6.331 3.136 ( 4.809 -7.554 1.010) 9.011 3.167 ( 5.109 -9.149 -1.953) 10.659 3.498 ( 3.935 1.824 7.580) 8.733 3.514 ( 0.914 -0.790 6.382) 6.495 3.556 ( 0.102 3.377 2.057) 3.955 3.611 ( 3.205 -1.255 -2.586) 4.305 3.761 ( 2.662 10.920 8.155) 13.887 3.898 ( 0.896 5.705 -0.604) 5.807 3.961 ( 2.500 1.373 1.540) 3.241 4.053 ( 3.332 -3.552 -3.299) 5.882 4.089 ( 6.107 1.470 2.808) 6.880 4.137 ( 6.743 1.055 -0.308) 6.832 4.139 ( 6.804 -3.467 4.542) 8.885 4.273 ( 6.544 -8.873 -7.611) 13.397 4.382 ( 3.555 5.215 10.465) 12.221 4.518 ( 6.644 -6.735 8.472) 12.700 4.605 ( -0.094 3.834 -11.030) 11.678 4.693 ( 4.313 -3.614 -9.550) 11.085 5.131 ( -0.171 3.766 1.895) 4.219 5.154 ( -0.591 3.510 -0.172) 3.563 5.210 ( 1.217 -2.641 0.969) 3.065 5.233 ( 1.322 -3.109 -1.175) 3.577 7.236 ( -4.195 1.713 7.521) 8.781 7.246 ( -4.982 1.330 8.198) 9.685 7.357 ( -2.042 1.813 -3.885) 4.749 7.416 ( -5.297 -1.703 -7.043) 8.975 7.535 ( 1.855 0.573 7.667) 7.909 7.555 ( -1.172 -2.043 8.278) 8.607 7.695 ( -0.522 0.405 -7.453) 7.482 7.756 ( -2.653 -4.435 -10.501) 11.704 7.958 ( -2.636 6.536 2.731) 7.559 8.015 ( -3.151 6.686 -2.684) 7.864 8.092 ( -1.385 -3.619 2.503) 4.613 8.161 ( -2.287 -4.726 -4.292) 6.782 8.585 ( 1.401 3.551 4.825) 6.153 8.673 ( 2.345 0.260 -2.984) 3.803 8.728 ( 1.327 -8.113 1.582) 8.372 8.790 ( 0.996 -9.067 -3.606) 9.809 9.366 ( -0.444 20.876 3.780) 21.220 9.434 ( 0.251 18.416 -3.515) 18.750 9.721 ( 3.135 -3.828 0.978) 5.043 9.741 ( 3.142 -10.626 -1.199) 11.146 10.044 ( 2.656 -4.413 12.166) 13.212 10.084 ( 0.119 -12.410 12.194) 17.398 10.306 ( 1.315 -1.696 -14.683) 14.839 10.356 ( -0.497 -8.189 -15.343) 17.399 10.898 ( -4.107 3.689 2.955) 6.262 10.936 ( -3.889 3.369 -0.848) 5.214 11.021 ( -3.998 -6.309 2.793) 7.974 11.070 ( -3.884 -7.622 -2.231) 8.841 12.470 ( -3.785 9.753 13.452) 17.041 12.651 ( -3.047 -5.599 9.388) 11.347 12.738 ( -5.395 5.650 -11.690) 14.060 12.878 ( -2.675 -5.976 -11.353) 13.105 14.212 ( -7.890 16.526 11.315) 21.526 14.429 ( -7.993 15.417 -10.439) 20.262 14.536 ( -7.177 -12.968 9.469) 17.588 14.748 ( -7.407 -13.631 -11.633) 19.390 15.476 ( 8.084 2.201 11.664) 14.361 15.501 ( 6.168 -0.170 13.016) 14.405 15.711 ( 11.538 1.881 -10.695) 15.844 15.763 ( 8.161 -2.814 -12.390) 15.101 16.649 ( 3.846 3.225 6.899) 8.532 16.727 ( 1.250 -3.743 8.581) 9.445 16.775 ( 3.772 4.745 -5.841) 8.418 16.886 ( 0.937 -5.315 -7.602) 9.323 24.683 ( -0.093 1.767 4.318) 4.667 24.727 ( -0.128 -2.242 3.472) 4.135 24.770 ( 0.175 0.905 -4.818) 4.905 24.795 ( 0.284 -1.324 -3.711) 3.951 25.467 ( -2.140 1.468 16.337) 16.542 25.480 ( -1.797 0.240 17.266) 17.361 25.771 ( -3.619 3.339 -15.530) 16.292 25.821 ( -4.717 -1.040 -17.834) 18.476 27.496 ( -4.430 0.952 4.726) 6.547 27.530 ( -4.017 -1.685 4.496) 6.260 27.595 ( -3.484 -0.412 -3.716) 5.110 27.637 ( -3.422 -3.713 -4.684) 6.888 28.327 ( 2.328 3.450 9.505) 10.376 28.372 ( 4.563 -0.409 10.417) 11.380 28.501 ( 3.166 4.293 -7.726) 9.388 28.593 ( 3.650 -4.197 -11.032) 12.355======================= Grid point 155 (58/60) =======================q-point: ( 0.25 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 141Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.652 ( 0.398 5.065 2.178) 5.527 1.711 ( -3.625 4.788 -3.696) 7.052 1.740 ( 1.265 -2.969 1.532) 3.573 1.798 ( -0.693 -3.501 -3.883) 5.274 2.171 ( 0.782 11.601 4.427) 12.441 2.267 ( -0.867 8.637 -4.671) 9.857 2.420 ( -2.325 -9.221 1.454) 9.620 2.473 ( -1.704 -5.789 -3.597) 7.025 2.669 ( 4.702 11.622 0.717) 12.557 2.698 ( 3.586 10.182 -2.498) 11.080 2.880 ( 2.875 -5.002 3.052) 6.527 2.939 ( 2.331 -10.296 -3.179) 11.025 3.137 ( 4.102 7.107 1.477) 8.338 3.160 ( 6.199 5.545 -1.132) 8.394 3.281 ( 6.595 -4.994 1.464) 8.401 3.311 ( 6.733 -6.839 -1.358) 9.693 3.522 ( 1.180 2.762 7.416) 8.001 3.572 ( 1.931 -1.747 4.656) 5.335 3.616 ( 5.405 1.208 0.180) 5.541 3.671 ( 1.442 -2.525 -2.010) 3.535 3.825 ( 3.276 4.769 6.809) 8.935 3.881 ( -1.260 0.425 5.526) 5.683 4.019 ( 2.425 2.092 -7.328) 7.997 4.057 ( -1.758 -1.614 -7.799) 8.156 4.224 ( 6.055 3.430 7.617) 10.317 4.324 ( 8.397 2.825 -2.245) 9.139 4.334 ( 7.864 -5.749 5.795) 11.335 4.414 ( 5.289 -3.328 -1.281) 6.378 4.605 ( 16.898 6.390 1.030) 18.095 4.681 ( 9.403 8.498 -5.403) 13.778 4.751 ( 14.507 -5.993 3.737) 16.135 4.839 ( 9.550 -5.320 -5.049) 12.041 5.148 ( 2.098 4.094 2.478) 5.225 5.169 ( 2.828 3.636 0.668) 4.655 5.249 ( 2.955 -3.129 0.392) 4.322 5.278 ( 3.554 -4.671 -2.420) 6.349 7.119 ( -5.311 3.402 7.595) 9.872 7.159 ( -4.449 -0.172 6.487) 7.867 7.278 ( -6.096 1.229 -6.790) 9.207 7.298 ( -4.965 -0.138 -6.171) 7.921 7.501 ( -3.241 0.776 5.430) 6.371 7.520 ( -2.999 -0.426 4.886) 5.749 7.634 ( -4.225 -3.270 -3.851) 6.586 7.664 ( -5.407 -5.249 -5.599) 9.388 7.916 ( -1.112 7.945 3.101) 8.601 7.982 ( -0.233 8.323 -3.593) 9.068 8.079 ( 0.221 -4.763 2.851) 5.555 8.145 ( 0.216 -4.825 -3.807) 6.150 8.609 ( 0.661 2.031 6.347) 6.697 8.697 ( 0.101 -4.992 1.878) 5.334 8.758 ( 0.713 -4.445 -3.647) 5.793 8.807 ( 0.382 -8.009 -4.279) 9.088 9.344 ( -1.561 23.725 4.517) 24.201 9.432 ( -0.540 21.462 -4.711) 21.980 9.801 ( 4.054 -6.568 1.542) 7.871 9.823 ( 4.022 -14.378 -0.778) 14.951 10.059 ( -1.574 -9.660 12.050) 15.524 10.115 ( 2.685 -7.125 10.275) 12.789 10.322 ( -2.047 -5.481 -13.915) 15.095 10.349 ( 1.710 -5.208 -13.367) 14.447 10.796 ( -4.871 2.640 3.622) 6.619 10.839 ( -4.840 2.201 0.333) 5.327 10.908 ( -6.024 -4.157 0.970) 7.383 10.963 ( -5.758 -5.962 -3.449) 8.978 12.373 ( -4.853 10.943 10.876) 16.174 12.563 ( -5.154 3.627 -0.736) 6.345 12.610 ( -5.716 -1.957 0.730) 6.086 12.801 ( -4.166 -9.537 -10.971) 15.122 14.060 ( -5.719 17.032 10.865) 20.997 14.281 ( -5.568 15.819 -11.463) 20.314 14.385 ( -6.042 -13.087 9.459) 17.241 14.597 ( -5.979 -13.416 -11.919) 18.916 15.603 ( 2.937 3.915 14.502) 15.306 15.651 ( 7.083 0.066 14.935) 16.529 15.884 ( 3.509 3.634 -12.454) 13.439 15.953 ( 8.989 -2.495 -14.211) 16.999 16.752 ( 4.217 0.130 8.044) 9.083 16.777 ( 4.604 -2.015 7.233) 8.807 16.891 ( 6.563 -0.074 -6.182) 9.016 16.919 ( 2.389 -2.544 -7.061) 7.877 24.680 ( -0.158 1.793 4.631) 4.969 24.724 ( -0.050 -2.263 4.023) 4.616 24.774 ( 0.203 1.184 -5.223) 5.360 24.805 ( 0.619 -1.577 -4.354) 4.672 25.407 ( -3.151 2.380 14.299) 14.834 25.436 ( -2.294 -0.542 13.983) 14.181 25.668 ( -5.524 3.177 -12.855) 14.348 25.709 ( -5.439 -0.666 -14.197) 15.218 27.398 ( -4.364 1.603 4.935) 6.780 27.442 ( -3.785 -1.780 4.049) 5.822 27.508 ( -4.305 -0.623 -4.043) 5.939 27.553 ( -3.971 -4.042 -4.923) 7.506 28.376 ( 2.170 6.369 8.893) 11.151 28.479 ( 4.841 -1.292 7.756) 9.234 28.552 ( 1.686 4.194 -5.722) 7.292 28.690 ( 4.675 -6.909 -10.312) 13.263======================= Grid point 156 (59/60) =======================q-point: ( 0.38 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.653 ( -1.674 5.686 -0.992) 6.010 1.661 ( 0.575 4.808 -1.894) 5.199 1.752 ( -0.135 -3.619 -0.474) 3.652 1.770 ( -1.639 -5.198 -2.097) 5.840 2.167 ( -0.492 9.555 4.512) 10.578 2.262 ( 0.446 8.959 -4.569) 10.067 2.391 ( -0.570 -9.270 3.261) 9.843 2.467 ( 0.445 -6.281 -4.398) 7.680 2.749 ( 3.131 9.213 0.511) 9.744 2.775 ( 3.709 6.193 -2.220) 7.552 2.901 ( -0.791 -4.276 2.407) 4.970 2.949 ( -0.976 -8.344 -2.718) 8.830 3.213 ( 3.101 11.808 3.889) 12.813 3.253 ( 2.673 5.940 -0.238) 6.518 3.344 ( 0.038 -1.478 4.864) 5.083 3.410 ( 2.841 -4.014 -2.523) 5.527 3.563 ( 1.276 0.349 8.307) 8.411 3.609 ( 1.803 -3.282 4.980) 6.230 3.689 ( 0.802 0.825 -1.232) 1.686 3.718 ( 3.150 -1.444 -2.805) 4.458 3.844 ( 0.400 1.568 5.562) 5.792 3.903 ( 1.605 -2.406 3.187) 4.304 4.014 ( -1.782 0.338 -9.339) 9.514 4.048 ( 0.410 -2.174 -9.047) 9.313 4.333 ( 4.178 4.181 7.680) 9.692 4.413 ( 1.019 -2.836 5.892) 6.618 4.445 ( 3.567 2.143 -3.440) 5.399 4.498 ( 1.967 -2.329 -2.261) 3.796 4.928 ( 9.099 6.127 0.119) 10.970 4.936 ( 9.624 4.184 -0.434) 10.503 5.007 ( 8.178 -1.779 1.290) 8.468 5.042 ( 8.847 -2.754 -2.237) 9.532 5.224 ( 4.982 5.120 5.207) 8.840 5.308 ( 9.018 3.338 -2.379) 9.905 5.361 ( 8.126 -4.442 2.129) 9.502 5.428 ( 10.268 -5.136 -3.898) 12.125 7.024 ( -3.463 2.481 5.610) 7.044 7.064 ( -4.068 -0.607 5.675) 7.008 7.147 ( -5.352 1.863 -5.976) 8.236 7.187 ( -5.123 -1.160 -5.952) 7.938 7.439 ( -2.491 0.012 5.043) 5.625 7.465 ( -1.403 -2.095 3.202) 4.076 7.553 ( -2.993 -3.752 -3.354) 5.855 7.562 ( -3.737 -4.822 -3.610) 7.088 7.901 ( -0.560 9.693 3.787) 10.422 7.979 ( -0.300 9.362 -4.243) 10.283 8.078 ( -0.655 -5.081 3.164) 6.022 8.142 ( -0.755 -4.513 -3.400) 5.700 8.614 ( 0.029 0.983 6.389) 6.464 8.693 ( -0.080 -5.848 3.565) 6.849 8.747 ( -1.461 -2.680 -4.034) 5.058 8.806 ( -0.349 -7.549 -4.920) 9.018 9.311 ( -1.341 26.291 5.341) 26.861 9.418 ( -0.548 23.583 -5.833) 24.300 9.875 ( 2.610 -15.162 1.205) 15.432 9.891 ( 2.255 -16.890 0.393) 17.044 10.015 ( -2.050 -5.611 10.501) 12.081 10.157 ( 1.163 -8.414 10.266) 13.324 10.265 ( -2.640 -0.839 -13.334) 13.619 10.381 ( 0.863 -7.536 -11.997) 14.194 10.717 ( -2.320 -0.009 4.028) 4.648 10.746 ( -3.622 -0.769 4.287) 5.664 10.803 ( -3.339 0.093 -2.996) 4.487 10.856 ( -3.773 -3.452 -5.083) 7.210 12.284 ( -3.231 11.488 8.884) 14.877 12.456 ( -4.153 12.458 -8.229) 15.497 12.518 ( -3.068 -9.883 9.616) 14.126 12.722 ( -2.974 -12.053 -10.838) 16.480 13.977 ( -2.330 17.164 10.532) 20.272 14.195 ( -2.615 16.608 -12.098) 20.713 14.298 ( -2.389 -13.365 9.970) 16.844 14.508 ( -2.517 -13.179 -11.898) 17.933 15.631 ( 0.169 7.216 15.076) 16.714 15.755 ( 2.930 -3.558 17.000) 17.614 15.912 ( -0.089 9.246 -12.914) 15.883 16.082 ( 3.483 -5.870 -15.768) 17.182 16.814 ( 2.233 2.401 8.498) 9.108 16.892 ( 4.610 -4.743 7.209) 9.784 16.967 ( 2.190 1.246 -7.186) 7.615 17.027 ( 5.029 -4.085 -6.521) 9.192 24.677 ( -0.122 1.952 4.909) 5.285 24.725 ( 0.094 -2.483 4.730) 5.343 24.778 ( 0.148 1.651 -5.677) 5.914 24.819 ( 0.593 -2.062 -4.950) 5.395 25.349 ( -2.091 2.887 12.015) 12.532 25.390 ( -1.778 -1.192 11.412) 11.611 25.570 ( -3.282 2.800 -10.730) 11.565 25.605 ( -4.048 -0.641 -10.993) 11.732 27.324 ( -2.484 1.791 5.107) 5.954 27.381 ( -1.930 -3.162 4.497) 5.827 27.431 ( -2.748 0.734 -4.898) 5.664 27.485 ( -2.273 -3.920 -5.187) 6.887 28.412 ( 1.167 8.705 7.850) 11.779 28.551 ( 1.546 6.882 -3.041) 7.682 28.585 ( 1.705 -3.603 5.474) 6.772 28.768 ( 2.494 -9.779 -9.940) 14.166======================= Grid point 157 (60/60) =======================q-point: (-0.50 0.43 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.637 ( 0.000 5.258 -0.059) 5.258 1.671 ( 0.000 4.054 -3.742) 5.517 1.740 ( 0.000 -4.184 -0.546) 4.219 1.754 ( 0.000 -4.374 -1.861) 4.753 2.163 ( 0.000 9.525 5.022) 10.768 2.270 ( 0.000 9.545 -5.904) 11.223 2.386 ( 0.000 -9.755 4.866) 10.901 2.473 ( 0.000 -6.391 -4.550) 7.845 2.790 ( -0.000 6.096 0.995) 6.177 2.836 ( -0.000 1.063 -3.708) 3.857 2.871 ( 0.000 -1.176 2.921) 3.149 2.927 ( 0.000 -4.008 -2.856) 4.922 3.253 ( 0.000 13.340 3.681) 13.839 3.281 ( -0.000 5.717 0.969) 5.799 3.333 ( 0.000 -0.329 7.681) 7.688 3.440 ( 0.000 -2.267 -4.077) 4.665 3.569 ( 0.000 -0.170 7.252) 7.254 3.633 ( 0.000 -5.955 7.099) 9.266 3.698 ( 0.000 1.637 -3.058) 3.469 3.744 ( 0.000 -2.475 0.168) 2.481 3.864 ( -0.000 1.627 0.110) 1.631 3.914 ( 0.000 -2.548 3.806) 4.580 3.994 ( 0.000 1.336 -9.046) 9.144 4.050 ( 0.000 -2.865 -8.411) 8.886 4.398 ( 0.000 0.695 7.496) 7.528 4.401 ( 0.000 -0.060 6.221) 6.221 4.490 ( 0.000 0.660 -3.123) 3.192 4.507 ( 0.000 -0.582 -3.716) 3.761 4.995 ( 0.000 4.354 1.189) 4.513 5.025 ( 0.000 4.845 -1.849) 5.186 5.096 ( 0.000 -4.705 2.414) 5.288 5.139 ( 0.000 -5.421 -2.193) 5.848 5.307 ( 0.000 9.401 6.773) 11.587 5.431 ( 0.000 7.690 -6.005) 9.757 5.483 ( 0.000 -6.514 4.736) 8.054 5.567 ( 0.000 -4.799 -4.179) 6.363 6.985 ( 0.000 1.417 4.729) 4.937 7.015 ( -0.000 -0.885 5.523) 5.594 7.085 ( 0.000 1.776 -5.612) 5.886 7.123 ( 0.000 -1.252 -5.857) 5.990 7.410 ( 0.000 -0.798 5.719) 5.774 7.454 ( -0.000 -4.335 4.077) 5.951 7.515 ( 0.000 -2.400 -5.176) 5.705 7.524 ( -0.000 -3.783 -3.378) 5.071 7.894 ( 0.000 9.993 3.902) 10.728 7.974 ( 0.000 9.593 -4.461) 10.580 8.065 ( 0.000 -4.870 3.437) 5.961 8.128 ( 0.000 -4.168 -3.141) 5.219 8.614 ( 0.000 0.497 6.092) 6.112 8.696 ( 0.000 -7.865 5.505) 9.600 8.723 ( 0.000 0.394 -5.109) 5.124 8.801 ( 0.000 -7.480 -5.220) 9.122 9.296 ( 0.000 27.208 5.763) 27.812 9.412 ( 0.000 24.076 -6.306) 24.888 9.902 ( 0.000 -24.596 0.923) 24.614 9.916 ( 0.000 -14.229 1.319) 14.290 9.992 ( 0.000 -2.316 9.458) 9.737 10.168 ( 0.000 -9.313 10.539) 14.064 10.233 ( 0.000 2.245 -13.110) 13.301 10.387 ( 0.000 -8.696 -11.663) 14.548 10.695 ( 0.000 -1.490 3.935) 4.208 10.705 ( -0.000 -0.998 5.658) 5.745 10.769 ( 0.000 1.360 -3.938) 4.167 10.816 ( 0.000 -2.258 -6.037) 6.445 12.249 ( 0.000 11.614 8.149) 14.187 12.409 ( 0.000 13.554 -8.409) 15.950 12.484 ( 0.000 -10.733 10.231) 14.828 12.689 ( 0.000 -12.954 -10.827) 16.883 13.954 ( 0.000 17.261 10.341) 20.121 14.168 ( 0.000 16.895 -11.918) 20.676 14.274 ( 0.000 -13.375 9.931) 16.659 14.483 ( 0.000 -13.219 -11.806) 17.723 15.630 ( 0.000 8.344 15.150) 17.296 15.785 ( 0.000 -5.741 18.223) 19.106 15.907 ( 0.000 11.927 -13.615) 18.101 16.116 ( 0.000 -7.209 -16.207) 17.738 16.839 ( 0.000 3.601 8.542) 9.270 16.944 ( 0.000 -5.985 7.557) 9.640 16.992 ( 0.000 2.885 -7.307) 7.856 17.083 ( 0.000 -5.302 -6.798) 8.621 24.676 ( 0.000 2.059 5.027) 5.433 24.726 ( 0.000 -2.643 5.072) 5.719 24.780 ( 0.000 1.897 -5.888) 6.186 24.826 ( 0.000 -2.316 -5.185) 5.679 25.326 ( 0.000 2.955 11.210) 11.593 25.370 ( 0.000 -1.361 10.315) 10.405 25.537 ( 0.000 1.977 -10.645) 10.827 25.557 ( -0.000 -0.056 -9.084) 9.085 27.298 ( 0.000 1.894 5.136) 5.474 27.361 ( 0.000 -4.142 5.060) 6.539 27.401 ( 0.000 1.769 -5.563) 5.838 27.461 ( 0.000 -3.890 -5.255) 6.538 28.424 ( 0.000 9.538 7.393) 12.067 28.563 ( 0.000 11.045 -6.871) 13.008 28.607 ( 0.000 -7.546 9.512) 12.141 28.794 ( 0.000 -10.815 -9.760) 14.567=================== 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 3/26880 10.0 768.468 797.088 1174.444 0.000 0.000 -0.000 3/26880 20.0 114.028 153.570 142.344 0.000 0.000 -0.000 3/26880 30.0 41.275 61.799 49.470 0.000 0.000 -0.000 3/26880 40.0 22.889 35.631 26.843 0.000 0.000 -0.000 3/26880 50.0 15.670 24.525 18.012 0.000 0.000 -0.000 3/26880 60.0 11.951 18.575 13.501 0.000 0.000 -0.000 3/26880 70.0 9.675 14.906 10.787 0.000 0.000 -0.000 3/26880 80.0 8.128 12.433 8.981 0.000 0.000 -0.000 3/26880 90.0 7.005 10.664 7.697 0.000 0.000 -0.000 3/26880 100.0 6.152 9.343 6.740 0.000 0.000 -0.000 3/26880 110.0 5.484 8.322 6.003 0.000 0.000 -0.000 3/26880 120.0 4.947 7.512 5.419 0.000 0.000 -0.000 3/26880 130.0 4.508 6.853 4.946 0.000 0.000 -0.000 3/26880 140.0 4.141 6.308 4.554 0.000 0.000 -0.000 3/26880 150.0 3.832 5.849 4.226 0.000 0.000 -0.000 3/26880 160.0 3.567 5.456 3.946 0.000 0.000 -0.000 3/26880 170.0 3.337 5.117 3.705 0.000 0.000 -0.000 3/26880 180.0 3.137 4.819 3.494 0.000 0.000 -0.000 3/26880 190.0 2.960 4.557 3.308 0.000 0.000 -0.000 3/26880 200.0 2.803 4.323 3.144 0.000 0.000 -0.000 3/26880 210.0 2.662 4.113 2.996 0.000 0.000 -0.000 3/26880 220.0 2.535 3.924 2.863 0.000 0.000 -0.000 3/26880 230.0 2.421 3.752 2.743 0.000 0.000 -0.000 3/26880 240.0 2.316 3.595 2.633 0.000 0.000 -0.000 3/26880 250.0 2.221 3.452 2.532 0.000 0.000 -0.000 3/26880 260.0 2.133 3.319 2.439 0.000 0.000 -0.000 3/26880 270.0 2.053 3.197 2.354 0.000 0.000 -0.000 3/26880 280.0 1.978 3.084 2.275 0.000 0.000 -0.000 3/26880 290.0 1.909 2.979 2.201 0.000 0.000 -0.000 3/26880 300.0 1.844 2.880 2.132 0.000 0.000 -0.000 3/26880 310.0 1.784 2.789 2.067 0.000 0.000 -0.000 3/26880 320.0 1.728 2.703 2.007 0.000 0.000 -0.000 3/26880 330.0 1.675 2.622 1.950 0.000 0.000 -0.000 3/26880 340.0 1.626 2.546 1.897 0.000 0.000 -0.000 3/26880 350.0 1.579 2.475 1.846 0.000 0.000 -0.000 3/26880 360.0 1.536 2.407 1.798 0.000 0.000 -0.000 3/26880 370.0 1.494 2.343 1.753 0.000 0.000 -0.000 3/26880 380.0 1.455 2.282 1.710 0.000 0.000 -0.000 3/26880 390.0 1.417 2.225 1.669 0.000 0.000 -0.000 3/26880 400.0 1.382 2.170 1.630 0.000 0.000 -0.000 3/26880 410.0 1.349 2.118 1.593 0.000 0.000 -0.000 3/26880 420.0 1.317 2.069 1.557 0.000 0.000 -0.000 3/26880 430.0 1.286 2.021 1.524 0.000 0.000 -0.000 3/26880 440.0 1.257 1.976 1.491 0.000 0.000 -0.000 3/26880 450.0 1.229 1.933 1.460 0.000 0.000 -0.000 3/26880 460.0 1.203 1.892 1.430 0.000 0.000 -0.000 3/26880 470.0 1.177 1.852 1.402 0.000 0.000 -0.000 3/26880 480.0 1.153 1.814 1.374 0.000 0.000 -0.000 3/26880 490.0 1.130 1.778 1.348 0.000 0.000 -0.000 3/26880 500.0 1.107 1.743 1.323 0.000 0.000 -0.000 3/26880 510.0 1.086 1.709 1.298 0.000 0.000 -0.000 3/26880 520.0 1.065 1.677 1.275 0.000 0.000 -0.000 3/26880 530.0 1.045 1.646 1.252 0.000 0.000 -0.000 3/26880 540.0 1.026 1.616 1.230 0.000 0.000 -0.000 3/26880 550.0 1.007 1.587 1.209 0.000 0.000 -0.000 3/26880 560.0 0.989 1.559 1.188 0.000 0.000 -0.000 3/26880 570.0 0.972 1.532 1.169 0.000 0.000 -0.000 3/26880 580.0 0.956 1.506 1.150 0.000 0.000 -0.000 3/26880 590.0 0.939 1.481 1.131 0.000 0.000 -0.000 3/26880 600.0 0.924 1.456 1.113 0.000 0.000 -0.000 3/26880 610.0 0.909 1.433 1.096 0.000 0.000 -0.000 3/26880 620.0 0.894 1.410 1.079 0.000 0.000 -0.000 3/26880 630.0 0.880 1.388 1.063 0.000 0.000 -0.000 3/26880 640.0 0.867 1.367 1.047 0.000 0.000 -0.000 3/26880 650.0 0.853 1.346 1.031 0.000 0.000 -0.000 3/26880 660.0 0.841 1.326 1.016 0.000 0.000 -0.000 3/26880 670.0 0.828 1.306 1.002 0.000 0.000 -0.000 3/26880 680.0 0.816 1.287 0.988 0.000 0.000 -0.000 3/26880 690.0 0.804 1.269 0.974 0.000 0.000 -0.000 3/26880 700.0 0.793 1.251 0.961 0.000 0.000 -0.000 3/26880 710.0 0.782 1.234 0.948 0.000 0.000 -0.000 3/26880 720.0 0.771 1.217 0.935 0.000 0.000 -0.000 3/26880 730.0 0.761 1.200 0.923 0.000 0.000 -0.000 3/26880 740.0 0.750 1.184 0.911 0.000 0.000 -0.000 3/26880 750.0 0.740 1.169 0.899 0.000 0.000 -0.000 3/26880 760.0 0.731 1.153 0.888 0.000 0.000 -0.000 3/26880 770.0 0.721 1.139 0.877 0.000 0.000 -0.000 3/26880 780.0 0.712 1.124 0.866 0.000 0.000 -0.000 3/26880 790.0 0.703 1.110 0.855 0.000 0.000 -0.000 3/26880 800.0 0.695 1.096 0.845 0.000 0.000 -0.000 3/26880 810.0 0.686 1.083 0.835 0.000 0.000 -0.000 3/26880 820.0 0.678 1.070 0.825 0.000 0.000 -0.000 3/26880 830.0 0.670 1.057 0.815 0.000 0.000 -0.000 3/26880 840.0 0.662 1.045 0.806 0.000 0.000 -0.000 3/26880 850.0 0.654 1.032 0.797 0.000 0.000 -0.000 3/26880 860.0 0.646 1.021 0.788 0.000 0.000 -0.000 3/26880 870.0 0.639 1.009 0.779 0.000 0.000 -0.000 3/26880 880.0 0.632 0.998 0.770 0.000 0.000 -0.000 3/26880 890.0 0.625 0.987 0.762 0.000 0.000 -0.000 3/26880 900.0 0.618 0.976 0.754 0.000 0.000 -0.000 3/26880 910.0 0.611 0.965 0.746 0.000 0.000 -0.000 3/26880 920.0 0.605 0.955 0.738 0.000 0.000 -0.000 3/26880 930.0 0.598 0.944 0.730 0.000 0.000 -0.000 3/26880 940.0 0.592 0.935 0.723 0.000 0.000 -0.000 3/26880 950.0 0.586 0.925 0.715 0.000 0.000 -0.000 3/26880 960.0 0.580 0.915 0.708 0.000 0.000 -0.000 3/26880 970.0 0.574 0.906 0.701 0.000 0.000 -0.000 3/26880 980.0 0.568 0.897 0.694 0.000 0.000 -0.000 3/26880 990.0 0.562 0.888 0.687 0.000 0.000 -0.000 3/26880 1000.0 0.556 0.879 0.680 0.000 0.000 -0.000 3/26880Thermal conductivity related properties were written into "kappa-m875.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 03:42:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|