----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:43:19]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.496577330258805 0.000000000000000 0.000000000000000 b 0.000000000000000 6.146519160000000 0.000000000000000 c -4.684330878762028 0.000000000000000 8.957000505495433 Atomic positions (fractional): *1 Na 0.47540833398387 0.44273432792155 0.23902555376839 22.990 2 Na 0.47540833398387 0.05726567207845 0.73902555376839 22.990 *3 Na 0.38732834615065 0.76686829128422 0.44868667831554 22.990 4 Na 0.61267165384935 0.23313170871578 0.55131332168446 22.990 5 Na 0.52459166601613 0.55726567207845 0.76097444623161 22.990 6 Na 0.61267165384935 0.26686829128422 0.05131332168446 22.990 7 Na 0.52459166601613 0.94273432792155 0.26097444623161 22.990 8 Na 0.38732834615065 0.73313170871578 0.94868667831554 22.990 *9 Er 0.01507629608067 0.53793379555570 0.81654658318101 167.259 10 Er 0.98492370391933 0.03793379555570 0.68345341681899 167.259 *11 Er 0.81904096126773 0.58234417584120 0.41516077766393 167.259 12 Er 0.18095903873227 0.08234417584120 0.08483922233607 167.259 13 Er 0.98492370391933 0.46206620444430 0.18345341681899 167.259 14 Er 0.01507629608067 0.96206620444430 0.31654658318101 167.259 15 Er 0.18095903873227 0.41765582415880 0.58483922233607 167.259 16 Er 0.81904096126773 0.91765582415880 0.91516077766393 167.259 *17 B 0.20466253450064 0.84522247077301 0.64546073529967 10.811 *18 B 0.68663981118874 0.74797366932487 0.08287298067912 10.811 19 B 0.68663981118874 0.75202633067513 0.58287298067912 10.811 20 B 0.31336018881126 0.24797366932487 0.41712701932088 10.811 21 B 0.79533746549936 0.34522247077301 0.85453926470033 10.811 22 B 0.79533746549936 0.15477752922699 0.35453926470033 10.811 23 B 0.20466253450064 0.65477752922699 0.14546073529967 10.811 24 B 0.31336018881126 0.25202633067513 0.91712701932088 10.811 *25 O 0.14579614838557 0.73929387527292 0.72721052142746 15.999 *26 O 0.39668562486248 0.33538148950307 0.55562373956824 15.999 *27 O 0.31517423307538 0.74970898450741 0.13264176672089 15.999 28 O 0.85420385161443 0.23929387527292 0.77278947857254 15.999 29 O 0.68482576692462 0.24970898450741 0.36735823327911 15.999 30 O 0.39668562486248 0.16461851049693 0.05562373956824 15.999 *31 O 0.16355314382971 0.23401228480028 0.86525984851175 15.999 32 O 0.68482576692462 0.25029101549259 0.86735823327911 15.999 *33 O 0.63472099592132 0.64503010238723 0.16827353462869 15.999 34 O 0.16355314382971 0.26598771519972 0.36525984851175 15.999 *35 O 0.14635365135003 0.45482390508678 0.08397001038517 15.999 36 O 0.14635365135003 0.04517609491322 0.58397001038517 15.999 37 O 0.36527900407868 0.14503010238723 0.33172646537131 15.999 38 O 0.63472099592132 0.85496989761277 0.66827353462869 15.999 *39 O 0.02675507440710 0.62693983832234 0.40413110382100 15.999 40 O 0.31517423307538 0.75029101549259 0.63264176672089 15.999 41 O 0.60331437513752 0.83538148950307 0.94437626043176 15.999 42 O 0.83644685617029 0.73401228480028 0.63474015148825 15.999 43 O 0.02675507440710 0.87306016167766 0.90413110382100 15.999 44 O 0.85364634864997 0.54517609491322 0.91602998961483 15.999 45 O 0.85420385161443 0.26070612472708 0.27278947857254 15.999 46 O 0.83644685617029 0.76598771519972 0.13474015148825 15.999 47 O 0.85364634864997 0.95482390508678 0.41602998961483 15.999 48 O 0.36527900407868 0.35496989761277 0.83172646537131 15.999 49 O 0.60331437513752 0.66461851049693 0.44437626043176 15.999 50 O 0.97324492559290 0.12693983832234 0.09586889617900 15.999 51 O 0.97324492559290 0.37306016167766 0.59586889617900 15.999 52 O 0.14579614838557 0.76070612472708 0.22721052142746 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.496577330258805 0.000000000000000 0.000000000000000 b 0.000000000000000 6.146519160000000 0.000000000000000 c -4.684330878762028 0.000000000000000 8.957000505495433 Atomic positions (fractional): *1 Na 0.47540833398387 0.44273432792155 0.23902555376839 22.990 > 1 2 Na 0.47540833398387 0.05726567207845 0.73902555376839 22.990 > 2 *3 Na 0.38732834615065 0.76686829128422 0.44868667831554 22.990 > 3 4 Na 0.61267165384935 0.23313170871578 0.55131332168446 22.990 > 4 5 Na 0.52459166601613 0.55726567207845 0.76097444623161 22.990 > 5 6 Na 0.61267165384935 0.26686829128422 0.05131332168446 22.990 > 6 7 Na 0.52459166601613 0.94273432792155 0.26097444623161 22.990 > 7 8 Na 0.38732834615065 0.73313170871578 0.94868667831554 22.990 > 8 *9 Er 0.01507629608067 0.53793379555570 0.81654658318101 167.259 > 9 10 Er 0.98492370391933 0.03793379555570 0.68345341681899 167.259 > 10 *11 Er 0.81904096126773 0.58234417584120 0.41516077766393 167.259 > 11 12 Er 0.18095903873227 0.08234417584120 0.08483922233607 167.259 > 12 13 Er 0.98492370391933 0.46206620444430 0.18345341681899 167.259 > 13 14 Er 0.01507629608067 0.96206620444430 0.31654658318101 167.259 > 14 15 Er 0.18095903873227 0.41765582415880 0.58483922233607 167.259 > 15 16 Er 0.81904096126773 0.91765582415880 0.91516077766393 167.259 > 16 *17 B 0.20466253450064 0.84522247077301 0.64546073529967 10.811 > 17 *18 B 0.68663981118874 0.74797366932487 0.08287298067912 10.811 > 18 19 B 0.68663981118874 0.75202633067513 0.58287298067912 10.811 > 19 20 B 0.31336018881126 0.24797366932487 0.41712701932088 10.811 > 20 21 B 0.79533746549936 0.34522247077301 0.85453926470033 10.811 > 21 22 B 0.79533746549936 0.15477752922699 0.35453926470033 10.811 > 22 23 B 0.20466253450064 0.65477752922699 0.14546073529967 10.811 > 23 24 B 0.31336018881126 0.25202633067513 0.91712701932088 10.811 > 24 *25 O 0.14579614838557 0.73929387527292 0.72721052142746 15.999 > 25 *26 O 0.39668562486248 0.33538148950307 0.55562373956824 15.999 > 26 *27 O 0.31517423307538 0.74970898450741 0.13264176672089 15.999 > 27 28 O 0.85420385161443 0.23929387527292 0.77278947857254 15.999 > 28 29 O 0.68482576692462 0.24970898450741 0.36735823327911 15.999 > 29 30 O 0.39668562486248 0.16461851049693 0.05562373956824 15.999 > 30 *31 O 0.16355314382971 0.23401228480028 0.86525984851175 15.999 > 31 32 O 0.68482576692462 0.25029101549259 0.86735823327911 15.999 > 32 *33 O 0.63472099592132 0.64503010238723 0.16827353462869 15.999 > 33 34 O 0.16355314382971 0.26598771519972 0.36525984851175 15.999 > 34 *35 O 0.14635365135003 0.45482390508678 0.08397001038517 15.999 > 35 36 O 0.14635365135003 0.04517609491322 0.58397001038517 15.999 > 36 37 O 0.36527900407868 0.14503010238723 0.33172646537131 15.999 > 37 38 O 0.63472099592132 0.85496989761277 0.66827353462869 15.999 > 38 *39 O 0.02675507440710 0.62693983832234 0.40413110382100 15.999 > 39 40 O 0.31517423307538 0.75029101549259 0.63264176672089 15.999 > 40 41 O 0.60331437513752 0.83538148950307 0.94437626043176 15.999 > 41 42 O 0.83644685617029 0.73401228480028 0.63474015148825 15.999 > 42 43 O 0.02675507440710 0.87306016167766 0.90413110382100 15.999 > 43 44 O 0.85364634864997 0.54517609491322 0.91602998961483 15.999 > 44 45 O 0.85420385161443 0.26070612472708 0.27278947857254 15.999 > 45 46 O 0.83644685617029 0.76598771519972 0.13474015148825 15.999 > 46 47 O 0.85364634864997 0.95482390508678 0.41602998961483 15.999 > 47 48 O 0.36527900407868 0.35496989761277 0.83172646537131 15.999 > 48 49 O 0.60331437513752 0.66461851049693 0.44437626043176 15.999 > 49 50 O 0.97324492559290 0.12693983832234 0.09586889617900 15.999 > 50 51 O 0.97324492559290 0.37306016167766 0.59586889617900 15.999 > 51 52 O 0.14579614838557 0.76070612472708 0.22721052142746 15.999 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.496577330258805 0.000000000000000 0.000000000000000 b 0.000000000000000 12.293038320000001 0.000000000000000 c -4.684330878762028 0.000000000000000 8.957000505495433 Atomic positions (fractional): *1 Na 0.47540833398387 0.22136716396077 0.23902555376839 22.990 > 1 2 Na 0.47540833398387 0.72136716396077 0.23902555376839 22.990 > 1 3 Na 0.47540833398387 0.02863283603923 0.73902555376839 22.990 > 2 4 Na 0.47540833398387 0.52863283603923 0.73902555376839 22.990 > 2 *5 Na 0.38732834615065 0.38343414564211 0.44868667831554 22.990 > 3 6 Na 0.38732834615065 0.88343414564211 0.44868667831554 22.990 > 3 7 Na 0.61267165384935 0.11656585435789 0.55131332168446 22.990 > 4 8 Na 0.61267165384935 0.61656585435789 0.55131332168446 22.990 > 4 9 Na 0.52459166601613 0.27863283603923 0.76097444623161 22.990 > 5 10 Na 0.52459166601613 0.77863283603923 0.76097444623161 22.990 > 5 11 Na 0.61267165384935 0.13343414564211 0.05131332168446 22.990 > 6 12 Na 0.61267165384935 0.63343414564211 0.05131332168446 22.990 > 6 13 Na 0.52459166601613 0.47136716396077 0.26097444623161 22.990 > 7 14 Na 0.52459166601613 0.97136716396077 0.26097444623161 22.990 > 7 15 Na 0.38732834615065 0.36656585435789 0.94868667831554 22.990 > 8 16 Na 0.38732834615065 0.86656585435789 0.94868667831554 22.990 > 8 *17 Er 0.01507629608067 0.26896689777785 0.81654658318101 167.259 > 9 18 Er 0.01507629608067 0.76896689777785 0.81654658318101 167.259 > 9 19 Er 0.98492370391933 0.01896689777785 0.68345341681899 167.259 > 10 20 Er 0.98492370391933 0.51896689777785 0.68345341681899 167.259 > 10 *21 Er 0.81904096126773 0.29117208792060 0.41516077766393 167.259 > 11 22 Er 0.81904096126773 0.79117208792060 0.41516077766393 167.259 > 11 23 Er 0.18095903873227 0.04117208792060 0.08483922233607 167.259 > 12 24 Er 0.18095903873227 0.54117208792060 0.08483922233607 167.259 > 12 25 Er 0.98492370391933 0.23103310222215 0.18345341681899 167.259 > 13 26 Er 0.98492370391933 0.73103310222215 0.18345341681899 167.259 > 13 27 Er 0.01507629608067 0.48103310222215 0.31654658318101 167.259 > 14 28 Er 0.01507629608067 0.98103310222215 0.31654658318101 167.259 > 14 29 Er 0.18095903873227 0.20882791207940 0.58483922233607 167.259 > 15 30 Er 0.18095903873227 0.70882791207940 0.58483922233607 167.259 > 15 31 Er 0.81904096126773 0.45882791207940 0.91516077766393 167.259 > 16 32 Er 0.81904096126773 0.95882791207940 0.91516077766393 167.259 > 16 *33 B 0.20466253450064 0.42261123538651 0.64546073529967 10.811 > 17 34 B 0.20466253450064 0.92261123538651 0.64546073529967 10.811 > 17 *35 B 0.68663981118874 0.37398683466243 0.08287298067912 10.811 > 18 36 B 0.68663981118874 0.87398683466243 0.08287298067912 10.811 > 18 37 B 0.68663981118874 0.37601316533757 0.58287298067912 10.811 > 19 38 B 0.68663981118874 0.87601316533757 0.58287298067912 10.811 > 19 39 B 0.31336018881126 0.12398683466243 0.41712701932088 10.811 > 20 40 B 0.31336018881126 0.62398683466243 0.41712701932088 10.811 > 20 41 B 0.79533746549936 0.17261123538651 0.85453926470033 10.811 > 21 42 B 0.79533746549936 0.67261123538651 0.85453926470033 10.811 > 21 43 B 0.79533746549936 0.07738876461349 0.35453926470033 10.811 > 22 44 B 0.79533746549936 0.57738876461349 0.35453926470033 10.811 > 22 45 B 0.20466253450064 0.32738876461349 0.14546073529967 10.811 > 23 46 B 0.20466253450064 0.82738876461349 0.14546073529967 10.811 > 23 47 B 0.31336018881126 0.12601316533756 0.91712701932088 10.811 > 24 48 B 0.31336018881126 0.62601316533757 0.91712701932088 10.811 > 24 *49 O 0.14579614838557 0.36964693763646 0.72721052142746 15.999 > 25 50 O 0.14579614838557 0.86964693763646 0.72721052142746 15.999 > 25 *51 O 0.39668562486248 0.16769074475154 0.55562373956824 15.999 > 26 52 O 0.39668562486248 0.66769074475154 0.55562373956824 15.999 > 26 *53 O 0.31517423307538 0.37485449225371 0.13264176672089 15.999 > 27 54 O 0.31517423307538 0.87485449225371 0.13264176672089 15.999 > 27 55 O 0.85420385161443 0.11964693763646 0.77278947857254 15.999 > 28 56 O 0.85420385161443 0.61964693763646 0.77278947857254 15.999 > 28 57 O 0.68482576692462 0.12485449225371 0.36735823327911 15.999 > 29 58 O 0.68482576692462 0.62485449225371 0.36735823327911 15.999 > 29 59 O 0.39668562486248 0.08230925524846 0.05562373956824 15.999 > 30 60 O 0.39668562486248 0.58230925524846 0.05562373956824 15.999 > 30 *61 O 0.16355314382971 0.11700614240014 0.86525984851175 15.999 > 31 62 O 0.16355314382971 0.61700614240014 0.86525984851175 15.999 > 31 63 O 0.68482576692462 0.12514550774629 0.86735823327911 15.999 > 32 64 O 0.68482576692462 0.62514550774629 0.86735823327911 15.999 > 32 *65 O 0.63472099592132 0.32251505119361 0.16827353462869 15.999 > 33 66 O 0.63472099592132 0.82251505119361 0.16827353462869 15.999 > 33 67 O 0.16355314382971 0.13299385759986 0.36525984851175 15.999 > 34 68 O 0.16355314382971 0.63299385759986 0.36525984851175 15.999 > 34 *69 O 0.14635365135003 0.22741195254339 0.08397001038517 15.999 > 35 70 O 0.14635365135003 0.72741195254339 0.08397001038517 15.999 > 35 71 O 0.14635365135003 0.02258804745661 0.58397001038517 15.999 > 36 72 O 0.14635365135003 0.52258804745661 0.58397001038517 15.999 > 36 73 O 0.36527900407868 0.07251505119361 0.33172646537131 15.999 > 37 74 O 0.36527900407868 0.57251505119361 0.33172646537131 15.999 > 37 75 O 0.63472099592132 0.42748494880639 0.66827353462869 15.999 > 38 76 O 0.63472099592132 0.92748494880639 0.66827353462869 15.999 > 38 *77 O 0.02675507440710 0.31346991916117 0.40413110382100 15.999 > 39 78 O 0.02675507440710 0.81346991916117 0.40413110382100 15.999 > 39 79 O 0.31517423307538 0.37514550774629 0.63264176672089 15.999 > 40 80 O 0.31517423307538 0.87514550774629 0.63264176672089 15.999 > 40 81 O 0.60331437513752 0.41769074475154 0.94437626043176 15.999 > 41 82 O 0.60331437513752 0.91769074475154 0.94437626043176 15.999 > 41 83 O 0.83644685617029 0.36700614240014 0.63474015148825 15.999 > 42 84 O 0.83644685617029 0.86700614240014 0.63474015148825 15.999 > 42 85 O 0.02675507440710 0.43653008083883 0.90413110382100 15.999 > 43 86 O 0.02675507440710 0.93653008083883 0.90413110382100 15.999 > 43 87 O 0.85364634864997 0.27258804745661 0.91602998961483 15.999 > 44 88 O 0.85364634864997 0.77258804745661 0.91602998961483 15.999 > 44 89 O 0.85420385161443 0.13035306236354 0.27278947857254 15.999 > 45 90 O 0.85420385161443 0.63035306236354 0.27278947857254 15.999 > 45 91 O 0.83644685617029 0.38299385759986 0.13474015148825 15.999 > 46 92 O 0.83644685617029 0.88299385759986 0.13474015148825 15.999 > 46 93 O 0.85364634864997 0.47741195254339 0.41602998961483 15.999 > 47 94 O 0.85364634864997 0.97741195254339 0.41602998961483 15.999 > 47 95 O 0.36527900407868 0.17748494880639 0.83172646537131 15.999 > 48 96 O 0.36527900407868 0.67748494880639 0.83172646537131 15.999 > 48 97 O 0.60331437513752 0.33230925524846 0.44437626043176 15.999 > 49 98 O 0.60331437513752 0.83230925524846 0.44437626043176 15.999 > 49 99 O 0.97324492559290 0.06346991916117 0.09586889617900 15.999 > 50 100 O 0.97324492559290 0.56346991916117 0.09586889617900 15.999 > 50 101 O 0.97324492559290 0.18653008083883 0.59586889617900 15.999 > 51 102 O 0.97324492559290 0.68653008083883 0.59586889617900 15.999 > 51 103 O 0.14579614838557 0.38035306236354 0.22721052142746 15.999 > 52 104 O 0.14579614838557 0.88035306236354 0.22721052142746 15.999 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2270542 0.0000000 -0.1288131 0.0000000 3.3463296 0.0000000 -0.1288015 0.0000000 3.2912844 -------------------------- Born effective charges -------------------------- 1 Na 1.3632306 0.0686668 0.2063607 0.0429975 1.0463970 0.0168031 0.1414630 0.0654421 1.1203254 2 Na 1.3632306 -0.0686668 0.2063607 -0.0429975 1.0463970 -0.0168031 0.1414630 -0.0654421 1.1203254 3 Na 1.2584505 0.0162480 0.1190367 0.0392410 1.0723474 -0.0643591 0.1371338 -0.0256572 1.1230418 4 Na 1.2584505 0.0162480 0.1190367 0.0392410 1.0723474 -0.0643591 0.1371338 -0.0256572 1.1230418 5 Na 1.3632306 0.0686668 0.2063607 0.0429975 1.0463970 0.0168031 0.1414630 0.0654421 1.1203254 6 Na 1.2584505 -0.0162480 0.1190367 -0.0392410 1.0723474 0.0643591 0.1371338 0.0256572 1.1230418 7 Na 1.3632306 -0.0686668 0.2063607 -0.0429975 1.0463970 -0.0168031 0.1414630 -0.0654421 1.1203254 8 Na 1.2584505 -0.0162480 0.1190367 -0.0392410 1.0723474 0.0643591 0.1371338 0.0256572 1.1230418 9 Er 2.9126836 -0.1667092 -0.5899408 -0.0376381 4.0737303 0.1309293 -0.6836993 -0.0133615 3.6642042 10 Er 2.9126836 0.1667092 -0.5899408 0.0376381 4.0737303 -0.1309293 -0.6836993 0.0133615 3.6642042 11 Er 3.3163931 -0.1414007 -0.2280474 -0.1911473 3.8177030 -0.1367702 -0.1844162 -0.1477064 3.5721137 12 Er 3.3163931 0.1414007 -0.2280474 0.1911473 3.8177030 0.1367702 -0.1844162 0.1477064 3.5721137 13 Er 2.9126836 -0.1667092 -0.5899408 -0.0376381 4.0737303 0.1309293 -0.6836993 -0.0133615 3.6642042 14 Er 2.9126836 0.1667092 -0.5899408 0.0376381 4.0737303 -0.1309293 -0.6836993 0.0133615 3.6642042 15 Er 3.3163931 -0.1414007 -0.2280474 -0.1911473 3.8177030 -0.1367702 -0.1844162 -0.1477064 3.5721137 16 Er 3.3163931 0.1414007 -0.2280474 0.1911473 3.8177030 0.1367702 -0.1844162 0.1477064 3.5721137 17 B 2.2370210 -0.2756527 -0.4525326 -0.4677875 2.3894326 -0.6514161 -0.3966170 -0.6154710 1.3501723 18 B 2.4231539 0.4885260 0.0896948 0.4805380 0.8653100 -0.8067775 0.0124590 -0.8939895 2.2565210 19 B 2.4231539 -0.4885260 0.0896948 -0.4805380 0.8653100 0.8067775 0.0124590 0.8939895 2.2565210 20 B 2.4231539 -0.4885260 0.0896948 -0.4805380 0.8653100 0.8067775 0.0124590 0.8939895 2.2565210 21 B 2.2370210 0.2756527 -0.4525326 0.4677875 2.3894326 0.6514161 -0.3966170 0.6154710 1.3501723 22 B 2.2370210 -0.2756527 -0.4525326 -0.4677875 2.3894326 -0.6514161 -0.3966170 -0.6154710 1.3501723 23 B 2.2370210 0.2756527 -0.4525326 0.4677875 2.3894326 0.6514161 -0.3966170 0.6154710 1.3501723 24 B 2.4231539 0.4885260 0.0896948 0.4805380 0.8653100 -0.8067775 0.0124590 -0.8939895 2.2565210 25 O -2.0311548 -0.2174523 0.6617989 -0.0699908 -2.1007981 0.2771150 0.7730613 0.3113957 -1.5886995 26 O -1.8559660 0.0887191 -0.1831917 0.0727543 -1.2381696 -0.4342306 -0.1258418 -0.4780009 -2.0860870 27 O -2.1950162 -0.1898432 -0.0164431 -0.2227807 -1.8122942 0.0548294 -0.0338043 0.0433859 -1.2392547 28 O -2.0311548 0.2174523 0.6617989 0.0699908 -2.1007981 -0.2771150 0.7730613 -0.3113957 -1.5886995 29 O -2.1950162 0.1898432 -0.0164431 0.2227807 -1.8122942 -0.0548294 -0.0338043 -0.0433859 -1.2392547 30 O -1.8559660 -0.0887191 -0.1831917 -0.0727543 -1.2381696 0.4342306 -0.1258418 0.4780009 -2.0860870 31 O -2.2920102 -0.1304441 -0.2924429 -0.0672859 -1.6280270 0.1187288 -0.2729832 0.1372550 -1.9729345 32 O -2.1950162 -0.1898432 -0.0164431 -0.2227807 -1.8122942 0.0548294 -0.0338043 0.0433859 -1.2392547 33 O -1.8776181 -0.3796819 0.2019753 -0.3053677 -1.3269061 0.4684682 0.2136036 0.4492598 -2.0739904 34 O -2.2920102 0.1304441 -0.2924429 0.0672859 -1.6280270 -0.1187288 -0.2729832 -0.1372550 -1.9729345 35 O -1.3967034 -0.0709543 0.2704778 -0.2466125 -2.6660937 -0.4034712 0.2577010 -0.2785206 -1.6601719 36 O -1.3967034 0.0709543 0.2704778 0.2466125 -2.6660937 0.4034712 0.2577010 0.2785206 -1.6601719 37 O -1.8776181 0.3796819 0.2019753 0.3053677 -1.3269061 -0.4684682 0.2136036 -0.4492598 -2.0739904 38 O -1.8776181 0.3796819 0.2019753 0.3053677 -1.3269061 -0.4684682 0.2136036 -0.4492598 -2.0739904 39 O -1.8624640 -0.0070933 0.2132543 0.1089380 -2.4926315 0.2538754 0.1619400 0.4220338 -2.4652406 40 O -2.1950162 0.1898432 -0.0164431 0.2227807 -1.8122942 -0.0548294 -0.0338043 -0.0433859 -1.2392547 41 O -1.8559660 -0.0887191 -0.1831917 -0.0727543 -1.2381696 0.4342306 -0.1258418 0.4780009 -2.0860870 42 O -2.2920102 0.1304441 -0.2924429 0.0672859 -1.6280270 -0.1187288 -0.2729832 -0.1372550 -1.9729345 43 O -1.8624640 0.0070933 0.2132543 -0.1089380 -2.4926315 -0.2538754 0.1619400 -0.4220338 -2.4652406 44 O -1.3967034 -0.0709543 0.2704778 -0.2466125 -2.6660937 -0.4034712 0.2577010 -0.2785206 -1.6601719 45 O -2.0311548 -0.2174523 0.6617989 -0.0699908 -2.1007981 0.2771150 0.7730613 0.3113957 -1.5886995 46 O -2.2920102 -0.1304441 -0.2924429 -0.0672859 -1.6280270 0.1187288 -0.2729832 0.1372550 -1.9729345 47 O -1.3967034 0.0709543 0.2704778 0.2466125 -2.6660937 0.4034712 0.2577010 0.2785206 -1.6601719 48 O -1.8776181 -0.3796819 0.2019753 -0.3053677 -1.3269061 0.4684682 0.2136036 0.4492598 -2.0739904 49 O -1.8559660 0.0887191 -0.1831917 0.0727543 -1.2381696 -0.4342306 -0.1258418 -0.4780009 -2.0860870 50 O -1.8624640 0.0070933 0.2132543 -0.1089380 -2.4926315 -0.2538754 0.1619400 -0.4220338 -2.4652406 51 O -1.8624640 -0.0070933 0.2132543 0.1089380 -2.4926315 0.2538754 0.1619400 0.4220338 -2.4652406 52 O -2.0311548 0.2174523 0.6617989 0.0699908 -2.1007981 -0.2771150 0.7730613 -0.3113957 -1.5886995 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6201 Number of blocks in projector: 6201 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1352 / 1352 (1) 329 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1352 / 1352 (1) 329 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 329), data: True |-- (500, 475), data: False |-- (500, 20), data: (500, 45) @ (45, 20) |-- (250, 225), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 329), data: True |-- (500, 475), data: False |-- (500, 20), data: (500, 45) @ (45, 20) |-- (250, 225), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1600 - Time: 1.694 Solver_block: 200 / 1600 - Time: 1.582 Solver_block: 300 / 1600 - Time: 1.580 Solver_block: 400 / 1600 - Time: 1.581 Solver_block: 500 / 1600 - Time: 1.583 Solver_block: 600 / 1600 - Time: 1.582 Solver_block: 700 / 1600 - Time: 1.581 Solver_block: 800 / 1600 - Time: 1.579 Solver_block: 900 / 1600 - Time: 1.580 Solver_block: 1000 / 1600 - Time: 1.581 Solver_block: 1100 / 1600 - Time: 1.580 Solver_block: 1200 / 1600 - Time: 1.580 Solver_block: 1300 / 1600 - Time: 1.580 Solver_block: 1400 / 1600 - Time: 1.579 Solver_block: 1500 / 1600 - Time: 1.583 Solver_block: 1600 / 1600 - Time: 1.579 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 26.106 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6201 Number of blocks in projector: 6201 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1352 / 1352 (1) 329 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1352 / 1352 (1) 329 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 329), data: True |-- (500, 475), data: False |-- (500, 20), data: (500, 45) @ (45, 20) |-- (250, 225), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 329), data: True |-- (500, 475), data: False |-- (500, 20), data: (500, 45) @ (45, 20) |-- (250, 225), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True Max 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 11:44:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:44:55]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.496577330258805 0.000000000000000 0.000000000000000 b 0.000000000000000 6.146519160000000 0.000000000000000 c -4.684330878762028 0.000000000000000 8.957000505495433 Atomic positions (fractional): 1 Na 0.47540833398387 0.44273432792155 0.23902555376839 22.990 2 Na 0.47540833398387 0.05726567207845 0.73902555376839 22.990 3 Na 0.38732834615065 0.76686829128422 0.44868667831554 22.990 4 Na 0.61267165384935 0.23313170871578 0.55131332168446 22.990 5 Na 0.52459166601613 0.55726567207845 0.76097444623161 22.990 6 Na 0.61267165384935 0.26686829128422 0.05131332168446 22.990 7 Na 0.52459166601613 0.94273432792155 0.26097444623161 22.990 8 Na 0.38732834615065 0.73313170871578 0.94868667831554 22.990 9 Er 0.01507629608067 0.53793379555570 0.81654658318101 167.259 10 Er 0.98492370391933 0.03793379555570 0.68345341681899 167.259 11 Er 0.81904096126773 0.58234417584120 0.41516077766393 167.259 12 Er 0.18095903873227 0.08234417584120 0.08483922233607 167.259 13 Er 0.98492370391933 0.46206620444430 0.18345341681899 167.259 14 Er 0.01507629608067 0.96206620444430 0.31654658318101 167.259 15 Er 0.18095903873227 0.41765582415880 0.58483922233607 167.259 16 Er 0.81904096126773 0.91765582415880 0.91516077766393 167.259 17 B 0.20466253450064 0.84522247077301 0.64546073529967 10.811 18 B 0.68663981118874 0.74797366932487 0.08287298067912 10.811 19 B 0.68663981118874 0.75202633067513 0.58287298067912 10.811 20 B 0.31336018881126 0.24797366932487 0.41712701932088 10.811 21 B 0.79533746549936 0.34522247077301 0.85453926470033 10.811 22 B 0.79533746549936 0.15477752922699 0.35453926470033 10.811 23 B 0.20466253450064 0.65477752922699 0.14546073529967 10.811 24 B 0.31336018881126 0.25202633067513 0.91712701932088 10.811 25 O 0.14579614838557 0.73929387527292 0.72721052142746 15.999 26 O 0.39668562486248 0.33538148950307 0.55562373956824 15.999 27 O 0.31517423307538 0.74970898450741 0.13264176672089 15.999 28 O 0.85420385161443 0.23929387527292 0.77278947857254 15.999 29 O 0.68482576692462 0.24970898450741 0.36735823327911 15.999 30 O 0.39668562486248 0.16461851049693 0.05562373956824 15.999 31 O 0.16355314382971 0.23401228480028 0.86525984851175 15.999 32 O 0.68482576692462 0.25029101549259 0.86735823327911 15.999 33 O 0.63472099592132 0.64503010238723 0.16827353462869 15.999 34 O 0.16355314382971 0.26598771519972 0.36525984851175 15.999 35 O 0.14635365135003 0.45482390508678 0.08397001038517 15.999 36 O 0.14635365135003 0.04517609491322 0.58397001038517 15.999 37 O 0.36527900407868 0.14503010238723 0.33172646537131 15.999 38 O 0.63472099592132 0.85496989761277 0.66827353462869 15.999 39 O 0.02675507440710 0.62693983832234 0.40413110382100 15.999 40 O 0.31517423307538 0.75029101549259 0.63264176672089 15.999 41 O 0.60331437513752 0.83538148950307 0.94437626043176 15.999 42 O 0.83644685617029 0.73401228480028 0.63474015148825 15.999 43 O 0.02675507440710 0.87306016167766 0.90413110382100 15.999 44 O 0.85364634864997 0.54517609491322 0.91602998961483 15.999 45 O 0.85420385161443 0.26070612472708 0.27278947857254 15.999 46 O 0.83644685617029 0.76598771519972 0.13474015148825 15.999 47 O 0.85364634864997 0.95482390508678 0.41602998961483 15.999 48 O 0.36527900407868 0.35496989761277 0.83172646537131 15.999 49 O 0.60331437513752 0.66461851049693 0.44437626043176 15.999 50 O 0.97324492559290 0.12693983832234 0.09586889617900 15.999 51 O 0.97324492559290 0.37306016167766 0.59586889617900 15.999 52 O 0.14579614838557 0.76070612472708 0.22721052142746 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.496577330258805 0.000000000000000 0.000000000000000 b 0.000000000000000 12.293038320000001 0.000000000000000 c -4.684330878762028 0.000000000000000 8.957000505495433 Atomic positions (fractional): 1 Na 0.47540833398387 0.22136716396077 0.23902555376839 22.990 > 1 2 Na 0.47540833398387 0.72136716396077 0.23902555376839 22.990 > 1 3 Na 0.47540833398387 0.02863283603923 0.73902555376839 22.990 > 3 4 Na 0.47540833398387 0.52863283603923 0.73902555376839 22.990 > 3 5 Na 0.38732834615065 0.38343414564211 0.44868667831554 22.990 > 5 6 Na 0.38732834615065 0.88343414564211 0.44868667831554 22.990 > 5 7 Na 0.61267165384935 0.11656585435789 0.55131332168446 22.990 > 7 8 Na 0.61267165384935 0.61656585435789 0.55131332168446 22.990 > 7 9 Na 0.52459166601613 0.27863283603923 0.76097444623161 22.990 > 9 10 Na 0.52459166601613 0.77863283603923 0.76097444623161 22.990 > 9 11 Na 0.61267165384935 0.13343414564211 0.05131332168446 22.990 > 11 12 Na 0.61267165384935 0.63343414564211 0.05131332168446 22.990 > 11 13 Na 0.52459166601613 0.47136716396077 0.26097444623161 22.990 > 13 14 Na 0.52459166601613 0.97136716396077 0.26097444623161 22.990 > 13 15 Na 0.38732834615065 0.36656585435789 0.94868667831554 22.990 > 15 16 Na 0.38732834615065 0.86656585435789 0.94868667831554 22.990 > 15 17 Er 0.01507629608067 0.26896689777785 0.81654658318101 167.259 > 17 18 Er 0.01507629608067 0.76896689777785 0.81654658318101 167.259 > 17 19 Er 0.98492370391933 0.01896689777785 0.68345341681899 167.259 > 19 20 Er 0.98492370391933 0.51896689777785 0.68345341681899 167.259 > 19 21 Er 0.81904096126773 0.29117208792060 0.41516077766393 167.259 > 21 22 Er 0.81904096126773 0.79117208792060 0.41516077766393 167.259 > 21 23 Er 0.18095903873227 0.04117208792060 0.08483922233607 167.259 > 23 24 Er 0.18095903873227 0.54117208792060 0.08483922233607 167.259 > 23 25 Er 0.98492370391933 0.23103310222215 0.18345341681899 167.259 > 25 26 Er 0.98492370391933 0.73103310222215 0.18345341681899 167.259 > 25 27 Er 0.01507629608067 0.48103310222215 0.31654658318101 167.259 > 27 28 Er 0.01507629608067 0.98103310222215 0.31654658318101 167.259 > 27 29 Er 0.18095903873227 0.20882791207940 0.58483922233607 167.259 > 29 30 Er 0.18095903873227 0.70882791207940 0.58483922233607 167.259 > 29 31 Er 0.81904096126773 0.45882791207940 0.91516077766393 167.259 > 31 32 Er 0.81904096126773 0.95882791207940 0.91516077766393 167.259 > 31 33 B 0.20466253450064 0.42261123538651 0.64546073529967 10.811 > 33 34 B 0.20466253450064 0.92261123538651 0.64546073529967 10.811 > 33 35 B 0.68663981118874 0.37398683466243 0.08287298067912 10.811 > 35 36 B 0.68663981118874 0.87398683466243 0.08287298067912 10.811 > 35 37 B 0.68663981118874 0.37601316533757 0.58287298067912 10.811 > 37 38 B 0.68663981118874 0.87601316533757 0.58287298067912 10.811 > 37 39 B 0.31336018881126 0.12398683466243 0.41712701932088 10.811 > 39 40 B 0.31336018881126 0.62398683466243 0.41712701932088 10.811 > 39 41 B 0.79533746549936 0.17261123538651 0.85453926470033 10.811 > 41 42 B 0.79533746549936 0.67261123538651 0.85453926470033 10.811 > 41 43 B 0.79533746549936 0.07738876461349 0.35453926470033 10.811 > 43 44 B 0.79533746549936 0.57738876461349 0.35453926470033 10.811 > 43 45 B 0.20466253450064 0.32738876461349 0.14546073529967 10.811 > 45 46 B 0.20466253450064 0.82738876461349 0.14546073529967 10.811 > 45 47 B 0.31336018881126 0.12601316533756 0.91712701932088 10.811 > 47 48 B 0.31336018881126 0.62601316533757 0.91712701932088 10.811 > 47 49 O 0.14579614838557 0.36964693763646 0.72721052142746 15.999 > 49 50 O 0.14579614838557 0.86964693763646 0.72721052142746 15.999 > 49 51 O 0.39668562486248 0.16769074475154 0.55562373956824 15.999 > 51 52 O 0.39668562486248 0.66769074475154 0.55562373956824 15.999 > 51 53 O 0.31517423307538 0.37485449225371 0.13264176672089 15.999 > 53 54 O 0.31517423307538 0.87485449225371 0.13264176672089 15.999 > 53 55 O 0.85420385161443 0.11964693763646 0.77278947857254 15.999 > 55 56 O 0.85420385161443 0.61964693763646 0.77278947857254 15.999 > 55 57 O 0.68482576692462 0.12485449225371 0.36735823327911 15.999 > 57 58 O 0.68482576692462 0.62485449225371 0.36735823327911 15.999 > 57 59 O 0.39668562486248 0.08230925524846 0.05562373956824 15.999 > 59 60 O 0.39668562486248 0.58230925524846 0.05562373956824 15.999 > 59 61 O 0.16355314382971 0.11700614240014 0.86525984851175 15.999 > 61 62 O 0.16355314382971 0.61700614240014 0.86525984851175 15.999 > 61 63 O 0.68482576692462 0.12514550774629 0.86735823327911 15.999 > 63 64 O 0.68482576692462 0.62514550774629 0.86735823327911 15.999 > 63 65 O 0.63472099592132 0.32251505119361 0.16827353462869 15.999 > 65 66 O 0.63472099592132 0.82251505119361 0.16827353462869 15.999 > 65 67 O 0.16355314382971 0.13299385759986 0.36525984851175 15.999 > 67 68 O 0.16355314382971 0.63299385759986 0.36525984851175 15.999 > 67 69 O 0.14635365135003 0.22741195254339 0.08397001038517 15.999 > 69 70 O 0.14635365135003 0.72741195254339 0.08397001038517 15.999 > 69 71 O 0.14635365135003 0.02258804745661 0.58397001038517 15.999 > 71 72 O 0.14635365135003 0.52258804745661 0.58397001038517 15.999 > 71 73 O 0.36527900407868 0.07251505119361 0.33172646537131 15.999 > 73 74 O 0.36527900407868 0.57251505119361 0.33172646537131 15.999 > 73 75 O 0.63472099592132 0.42748494880639 0.66827353462869 15.999 > 75 76 O 0.63472099592132 0.92748494880639 0.66827353462869 15.999 > 75 77 O 0.02675507440710 0.31346991916117 0.40413110382100 15.999 > 77 78 O 0.02675507440710 0.81346991916117 0.40413110382100 15.999 > 77 79 O 0.31517423307538 0.37514550774629 0.63264176672089 15.999 > 79 80 O 0.31517423307538 0.87514550774629 0.63264176672089 15.999 > 79 81 O 0.60331437513752 0.41769074475154 0.94437626043176 15.999 > 81 82 O 0.60331437513752 0.91769074475154 0.94437626043176 15.999 > 81 83 O 0.83644685617029 0.36700614240014 0.63474015148825 15.999 > 83 84 O 0.83644685617029 0.86700614240014 0.63474015148825 15.999 > 83 85 O 0.02675507440710 0.43653008083883 0.90413110382100 15.999 > 85 86 O 0.02675507440710 0.93653008083883 0.90413110382100 15.999 > 85 87 O 0.85364634864997 0.27258804745661 0.91602998961483 15.999 > 87 88 O 0.85364634864997 0.77258804745661 0.91602998961483 15.999 > 87 89 O 0.85420385161443 0.13035306236354 0.27278947857254 15.999 > 89 90 O 0.85420385161443 0.63035306236354 0.27278947857254 15.999 > 89 91 O 0.83644685617029 0.38299385759986 0.13474015148825 15.999 > 91 92 O 0.83644685617029 0.88299385759986 0.13474015148825 15.999 > 91 93 O 0.85364634864997 0.47741195254339 0.41602998961483 15.999 > 93 94 O 0.85364634864997 0.97741195254339 0.41602998961483 15.999 > 93 95 O 0.36527900407868 0.17748494880639 0.83172646537131 15.999 > 95 96 O 0.36527900407868 0.67748494880639 0.83172646537131 15.999 > 95 97 O 0.60331437513752 0.33230925524846 0.44437626043176 15.999 > 97 98 O 0.60331437513752 0.83230925524846 0.44437626043176 15.999 > 97 99 O 0.97324492559290 0.06346991916117 0.09586889617900 15.999 > 99 100 O 0.97324492559290 0.56346991916117 0.09586889617900 15.999 > 99 101 O 0.97324492559290 0.18653008083883 0.59586889617900 15.999 > 101 102 O 0.97324492559290 0.68653008083883 0.59586889617900 15.999 > 101 103 O 0.14579614838557 0.38035306236354 0.22721052142746 15.999 > 103 104 O 0.14579614838557 0.88035306236354 0.22721052142746 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2270542 0.0000000 -0.1288131 0.0000000 3.3463296 0.0000000 -0.1288015 0.0000000 3.2912844 -------------------------- Born effective charges -------------------------- 1 Na 1.3632306 0.0686668 0.2063607 0.0429975 1.0463970 0.0168031 0.1414630 0.0654421 1.1203254 2 Na 1.3632306 -0.0686668 0.2063607 -0.0429975 1.0463970 -0.0168031 0.1414630 -0.0654421 1.1203254 3 Na 1.2584505 0.0162480 0.1190367 0.0392410 1.0723474 -0.0643591 0.1371338 -0.0256572 1.1230418 4 Na 1.2584505 0.0162480 0.1190367 0.0392410 1.0723474 -0.0643591 0.1371338 -0.0256572 1.1230418 5 Na 1.3632306 0.0686668 0.2063607 0.0429975 1.0463970 0.0168031 0.1414630 0.0654421 1.1203254 6 Na 1.2584505 -0.0162480 0.1190367 -0.0392410 1.0723474 0.0643591 0.1371338 0.0256572 1.1230418 7 Na 1.3632306 -0.0686668 0.2063607 -0.0429975 1.0463970 -0.0168031 0.1414630 -0.0654421 1.1203254 8 Na 1.2584505 -0.0162480 0.1190367 -0.0392410 1.0723474 0.0643591 0.1371338 0.0256572 1.1230418 9 Er 2.9126836 -0.1667092 -0.5899408 -0.0376381 4.0737303 0.1309293 -0.6836993 -0.0133615 3.6642042 10 Er 2.9126836 0.1667092 -0.5899408 0.0376381 4.0737303 -0.1309293 -0.6836993 0.0133615 3.6642042 11 Er 3.3163931 -0.1414007 -0.2280474 -0.1911473 3.8177030 -0.1367702 -0.1844162 -0.1477064 3.5721137 12 Er 3.3163931 0.1414007 -0.2280474 0.1911473 3.8177030 0.1367702 -0.1844162 0.1477064 3.5721137 13 Er 2.9126836 -0.1667092 -0.5899408 -0.0376381 4.0737303 0.1309293 -0.6836993 -0.0133615 3.6642042 14 Er 2.9126836 0.1667092 -0.5899408 0.0376381 4.0737303 -0.1309293 -0.6836993 0.0133615 3.6642042 15 Er 3.3163931 -0.1414007 -0.2280474 -0.1911473 3.8177030 -0.1367702 -0.1844162 -0.1477064 3.5721137 16 Er 3.3163931 0.1414007 -0.2280474 0.1911473 3.8177030 0.1367702 -0.1844162 0.1477064 3.5721137 17 B 2.2370210 -0.2756527 -0.4525326 -0.4677875 2.3894326 -0.6514161 -0.3966170 -0.6154710 1.3501723 18 B 2.4231539 0.4885260 0.0896948 0.4805380 0.8653100 -0.8067775 0.0124590 -0.8939895 2.2565210 19 B 2.4231539 -0.4885260 0.0896948 -0.4805380 0.8653100 0.8067775 0.0124590 0.8939895 2.2565210 20 B 2.4231539 -0.4885260 0.0896948 -0.4805380 0.8653100 0.8067775 0.0124590 0.8939895 2.2565210 21 B 2.2370210 0.2756527 -0.4525326 0.4677875 2.3894326 0.6514161 -0.3966170 0.6154710 1.3501723 22 B 2.2370210 -0.2756527 -0.4525326 -0.4677875 2.3894326 -0.6514161 -0.3966170 -0.6154710 1.3501723 23 B 2.2370210 0.2756527 -0.4525326 0.4677875 2.3894326 0.6514161 -0.3966170 0.6154710 1.3501723 24 B 2.4231539 0.4885260 0.0896948 0.4805380 0.8653100 -0.8067775 0.0124590 -0.8939895 2.2565210 25 O -2.0311548 -0.2174523 0.6617989 -0.0699908 -2.1007981 0.2771150 0.7730613 0.3113957 -1.5886995 26 O -1.8559660 0.0887191 -0.1831917 0.0727543 -1.2381696 -0.4342306 -0.1258418 -0.4780009 -2.0860870 27 O -2.1950162 -0.1898432 -0.0164431 -0.2227807 -1.8122942 0.0548294 -0.0338043 0.0433859 -1.2392547 28 O -2.0311548 0.2174523 0.6617989 0.0699908 -2.1007981 -0.2771150 0.7730613 -0.3113957 -1.5886995 29 O -2.1950162 0.1898432 -0.0164431 0.2227807 -1.8122942 -0.0548294 -0.0338043 -0.0433859 -1.2392547 30 O -1.8559660 -0.0887191 -0.1831917 -0.0727543 -1.2381696 0.4342306 -0.1258418 0.4780009 -2.0860870 31 O -2.2920102 -0.1304441 -0.2924429 -0.0672859 -1.6280270 0.1187288 -0.2729832 0.1372550 -1.9729345 32 O -2.1950162 -0.1898432 -0.0164431 -0.2227807 -1.8122942 0.0548294 -0.0338043 0.0433859 -1.2392547 33 O -1.8776181 -0.3796819 0.2019753 -0.3053677 -1.3269061 0.4684682 0.2136036 0.4492598 -2.0739904 34 O -2.2920102 0.1304441 -0.2924429 0.0672859 -1.6280270 -0.1187288 -0.2729832 -0.1372550 -1.9729345 35 O -1.3967034 -0.0709543 0.2704778 -0.2466125 -2.6660937 -0.4034712 0.2577010 -0.2785206 -1.6601719 36 O -1.3967034 0.0709543 0.2704778 0.2466125 -2.6660937 0.4034712 0.2577010 0.2785206 -1.6601719 37 O -1.8776181 0.3796819 0.2019753 0.3053677 -1.3269061 -0.4684682 0.2136036 -0.4492598 -2.0739904 38 O -1.8776181 0.3796819 0.2019753 0.3053677 -1.3269061 -0.4684682 0.2136036 -0.4492598 -2.0739904 39 O -1.8624640 -0.0070933 0.2132543 0.1089380 -2.4926315 0.2538754 0.1619400 0.4220338 -2.4652406 40 O -2.1950162 0.1898432 -0.0164431 0.2227807 -1.8122942 -0.0548294 -0.0338043 -0.0433859 -1.2392547 41 O -1.8559660 -0.0887191 -0.1831917 -0.0727543 -1.2381696 0.4342306 -0.1258418 0.4780009 -2.0860870 42 O -2.2920102 0.1304441 -0.2924429 0.0672859 -1.6280270 -0.1187288 -0.2729832 -0.1372550 -1.9729345 43 O -1.8624640 0.0070933 0.2132543 -0.1089380 -2.4926315 -0.2538754 0.1619400 -0.4220338 -2.4652406 44 O -1.3967034 -0.0709543 0.2704778 -0.2466125 -2.6660937 -0.4034712 0.2577010 -0.2785206 -1.6601719 45 O -2.0311548 -0.2174523 0.6617989 -0.0699908 -2.1007981 0.2771150 0.7730613 0.3113957 -1.5886995 46 O -2.2920102 -0.1304441 -0.2924429 -0.0672859 -1.6280270 0.1187288 -0.2729832 0.1372550 -1.9729345 47 O -1.3967034 0.0709543 0.2704778 0.2466125 -2.6660937 0.4034712 0.2577010 0.2785206 -1.6601719 48 O -1.8776181 -0.3796819 0.2019753 -0.3053677 -1.3269061 0.4684682 0.2136036 0.4492598 -2.0739904 49 O -1.8559660 0.0887191 -0.1831917 0.0727543 -1.2381696 -0.4342306 -0.1258418 -0.4780009 -2.0860870 50 O -1.8624640 0.0070933 0.2132543 -0.1089380 -2.4926315 -0.2538754 0.1619400 -0.4220338 -2.4652406 51 O -1.8624640 -0.0070933 0.2132543 0.1089380 -2.4926315 0.2538754 0.1619400 0.4220338 -2.4652406 52 O -2.0311548 0.2174523 0.6617989 0.0699908 -2.1007981 -0.2771150 0.7730613 -0.3113957 -1.5886995 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 35, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 51, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 53, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 61, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 77, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency 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 11:45:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:45:55]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.496577330258805 0.000000000000000 0.000000000000000 b 0.000000000000000 6.146519160000000 0.000000000000000 c -4.684330878762028 0.000000000000000 8.957000505495433 Atomic positions (fractional): 1 Na 0.47540833398387 0.44273432792155 0.23902555376839 22.990 2 Na 0.47540833398387 0.05726567207845 0.73902555376839 22.990 3 Na 0.38732834615065 0.76686829128422 0.44868667831554 22.990 4 Na 0.61267165384935 0.23313170871578 0.55131332168446 22.990 5 Na 0.52459166601613 0.55726567207845 0.76097444623161 22.990 6 Na 0.61267165384935 0.26686829128422 0.05131332168446 22.990 7 Na 0.52459166601613 0.94273432792155 0.26097444623161 22.990 8 Na 0.38732834615065 0.73313170871578 0.94868667831554 22.990 9 Er 0.01507629608067 0.53793379555570 0.81654658318101 167.259 10 Er 0.98492370391933 0.03793379555570 0.68345341681899 167.259 11 Er 0.81904096126773 0.58234417584120 0.41516077766393 167.259 12 Er 0.18095903873227 0.08234417584120 0.08483922233607 167.259 13 Er 0.98492370391933 0.46206620444430 0.18345341681899 167.259 14 Er 0.01507629608067 0.96206620444430 0.31654658318101 167.259 15 Er 0.18095903873227 0.41765582415880 0.58483922233607 167.259 16 Er 0.81904096126773 0.91765582415880 0.91516077766393 167.259 17 B 0.20466253450064 0.84522247077301 0.64546073529967 10.811 18 B 0.68663981118874 0.74797366932487 0.08287298067912 10.811 19 B 0.68663981118874 0.75202633067513 0.58287298067912 10.811 20 B 0.31336018881126 0.24797366932487 0.41712701932088 10.811 21 B 0.79533746549936 0.34522247077301 0.85453926470033 10.811 22 B 0.79533746549936 0.15477752922699 0.35453926470033 10.811 23 B 0.20466253450064 0.65477752922699 0.14546073529967 10.811 24 B 0.31336018881126 0.25202633067513 0.91712701932088 10.811 25 O 0.14579614838557 0.73929387527292 0.72721052142746 15.999 26 O 0.39668562486248 0.33538148950307 0.55562373956824 15.999 27 O 0.31517423307538 0.74970898450741 0.13264176672089 15.999 28 O 0.85420385161443 0.23929387527292 0.77278947857254 15.999 29 O 0.68482576692462 0.24970898450741 0.36735823327911 15.999 30 O 0.39668562486248 0.16461851049693 0.05562373956824 15.999 31 O 0.16355314382971 0.23401228480028 0.86525984851175 15.999 32 O 0.68482576692462 0.25029101549259 0.86735823327911 15.999 33 O 0.63472099592132 0.64503010238723 0.16827353462869 15.999 34 O 0.16355314382971 0.26598771519972 0.36525984851175 15.999 35 O 0.14635365135003 0.45482390508678 0.08397001038517 15.999 36 O 0.14635365135003 0.04517609491322 0.58397001038517 15.999 37 O 0.36527900407868 0.14503010238723 0.33172646537131 15.999 38 O 0.63472099592132 0.85496989761277 0.66827353462869 15.999 39 O 0.02675507440710 0.62693983832234 0.40413110382100 15.999 40 O 0.31517423307538 0.75029101549259 0.63264176672089 15.999 41 O 0.60331437513752 0.83538148950307 0.94437626043176 15.999 42 O 0.83644685617029 0.73401228480028 0.63474015148825 15.999 43 O 0.02675507440710 0.87306016167766 0.90413110382100 15.999 44 O 0.85364634864997 0.54517609491322 0.91602998961483 15.999 45 O 0.85420385161443 0.26070612472708 0.27278947857254 15.999 46 O 0.83644685617029 0.76598771519972 0.13474015148825 15.999 47 O 0.85364634864997 0.95482390508678 0.41602998961483 15.999 48 O 0.36527900407868 0.35496989761277 0.83172646537131 15.999 49 O 0.60331437513752 0.66461851049693 0.44437626043176 15.999 50 O 0.97324492559290 0.12693983832234 0.09586889617900 15.999 51 O 0.97324492559290 0.37306016167766 0.59586889617900 15.999 52 O 0.14579614838557 0.76070612472708 0.22721052142746 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.496577330258805 0.000000000000000 0.000000000000000 b 0.000000000000000 12.293038320000001 0.000000000000000 c -4.684330878762028 0.000000000000000 8.957000505495433 Atomic positions (fractional): 1 Na 0.47540833398387 0.22136716396077 0.23902555376839 22.990 > 1 2 Na 0.47540833398387 0.72136716396077 0.23902555376839 22.990 > 1 3 Na 0.47540833398387 0.02863283603923 0.73902555376839 22.990 > 3 4 Na 0.47540833398387 0.52863283603923 0.73902555376839 22.990 > 3 5 Na 0.38732834615065 0.38343414564211 0.44868667831554 22.990 > 5 6 Na 0.38732834615065 0.88343414564211 0.44868667831554 22.990 > 5 7 Na 0.61267165384935 0.11656585435789 0.55131332168446 22.990 > 7 8 Na 0.61267165384935 0.61656585435789 0.55131332168446 22.990 > 7 9 Na 0.52459166601613 0.27863283603923 0.76097444623161 22.990 > 9 10 Na 0.52459166601613 0.77863283603923 0.76097444623161 22.990 > 9 11 Na 0.61267165384935 0.13343414564211 0.05131332168446 22.990 > 11 12 Na 0.61267165384935 0.63343414564211 0.05131332168446 22.990 > 11 13 Na 0.52459166601613 0.47136716396077 0.26097444623161 22.990 > 13 14 Na 0.52459166601613 0.97136716396077 0.26097444623161 22.990 > 13 15 Na 0.38732834615065 0.36656585435789 0.94868667831554 22.990 > 15 16 Na 0.38732834615065 0.86656585435789 0.94868667831554 22.990 > 15 17 Er 0.01507629608067 0.26896689777785 0.81654658318101 167.259 > 17 18 Er 0.01507629608067 0.76896689777785 0.81654658318101 167.259 > 17 19 Er 0.98492370391933 0.01896689777785 0.68345341681899 167.259 > 19 20 Er 0.98492370391933 0.51896689777785 0.68345341681899 167.259 > 19 21 Er 0.81904096126773 0.29117208792060 0.41516077766393 167.259 > 21 22 Er 0.81904096126773 0.79117208792060 0.41516077766393 167.259 > 21 23 Er 0.18095903873227 0.04117208792060 0.08483922233607 167.259 > 23 24 Er 0.18095903873227 0.54117208792060 0.08483922233607 167.259 > 23 25 Er 0.98492370391933 0.23103310222215 0.18345341681899 167.259 > 25 26 Er 0.98492370391933 0.73103310222215 0.18345341681899 167.259 > 25 27 Er 0.01507629608067 0.48103310222215 0.31654658318101 167.259 > 27 28 Er 0.01507629608067 0.98103310222215 0.31654658318101 167.259 > 27 29 Er 0.18095903873227 0.20882791207940 0.58483922233607 167.259 > 29 30 Er 0.18095903873227 0.70882791207940 0.58483922233607 167.259 > 29 31 Er 0.81904096126773 0.45882791207940 0.91516077766393 167.259 > 31 32 Er 0.81904096126773 0.95882791207940 0.91516077766393 167.259 > 31 33 B 0.20466253450064 0.42261123538651 0.64546073529967 10.811 > 33 34 B 0.20466253450064 0.92261123538651 0.64546073529967 10.811 > 33 35 B 0.68663981118874 0.37398683466243 0.08287298067912 10.811 > 35 36 B 0.68663981118874 0.87398683466243 0.08287298067912 10.811 > 35 37 B 0.68663981118874 0.37601316533757 0.58287298067912 10.811 > 37 38 B 0.68663981118874 0.87601316533757 0.58287298067912 10.811 > 37 39 B 0.31336018881126 0.12398683466243 0.41712701932088 10.811 > 39 40 B 0.31336018881126 0.62398683466243 0.41712701932088 10.811 > 39 41 B 0.79533746549936 0.17261123538651 0.85453926470033 10.811 > 41 42 B 0.79533746549936 0.67261123538651 0.85453926470033 10.811 > 41 43 B 0.79533746549936 0.07738876461349 0.35453926470033 10.811 > 43 44 B 0.79533746549936 0.57738876461349 0.35453926470033 10.811 > 43 45 B 0.20466253450064 0.32738876461349 0.14546073529967 10.811 > 45 46 B 0.20466253450064 0.82738876461349 0.14546073529967 10.811 > 45 47 B 0.31336018881126 0.12601316533756 0.91712701932088 10.811 > 47 48 B 0.31336018881126 0.62601316533757 0.91712701932088 10.811 > 47 49 O 0.14579614838557 0.36964693763646 0.72721052142746 15.999 > 49 50 O 0.14579614838557 0.86964693763646 0.72721052142746 15.999 > 49 51 O 0.39668562486248 0.16769074475154 0.55562373956824 15.999 > 51 52 O 0.39668562486248 0.66769074475154 0.55562373956824 15.999 > 51 53 O 0.31517423307538 0.37485449225371 0.13264176672089 15.999 > 53 54 O 0.31517423307538 0.87485449225371 0.13264176672089 15.999 > 53 55 O 0.85420385161443 0.11964693763646 0.77278947857254 15.999 > 55 56 O 0.85420385161443 0.61964693763646 0.77278947857254 15.999 > 55 57 O 0.68482576692462 0.12485449225371 0.36735823327911 15.999 > 57 58 O 0.68482576692462 0.62485449225371 0.36735823327911 15.999 > 57 59 O 0.39668562486248 0.08230925524846 0.05562373956824 15.999 > 59 60 O 0.39668562486248 0.58230925524846 0.05562373956824 15.999 > 59 61 O 0.16355314382971 0.11700614240014 0.86525984851175 15.999 > 61 62 O 0.16355314382971 0.61700614240014 0.86525984851175 15.999 > 61 63 O 0.68482576692462 0.12514550774629 0.86735823327911 15.999 > 63 64 O 0.68482576692462 0.62514550774629 0.86735823327911 15.999 > 63 65 O 0.63472099592132 0.32251505119361 0.16827353462869 15.999 > 65 66 O 0.63472099592132 0.82251505119361 0.16827353462869 15.999 > 65 67 O 0.16355314382971 0.13299385759986 0.36525984851175 15.999 > 67 68 O 0.16355314382971 0.63299385759986 0.36525984851175 15.999 > 67 69 O 0.14635365135003 0.22741195254339 0.08397001038517 15.999 > 69 70 O 0.14635365135003 0.72741195254339 0.08397001038517 15.999 > 69 71 O 0.14635365135003 0.02258804745661 0.58397001038517 15.999 > 71 72 O 0.14635365135003 0.52258804745661 0.58397001038517 15.999 > 71 73 O 0.36527900407868 0.07251505119361 0.33172646537131 15.999 > 73 74 O 0.36527900407868 0.57251505119361 0.33172646537131 15.999 > 73 75 O 0.63472099592132 0.42748494880639 0.66827353462869 15.999 > 75 76 O 0.63472099592132 0.92748494880639 0.66827353462869 15.999 > 75 77 O 0.02675507440710 0.31346991916117 0.40413110382100 15.999 > 77 78 O 0.02675507440710 0.81346991916117 0.40413110382100 15.999 > 77 79 O 0.31517423307538 0.37514550774629 0.63264176672089 15.999 > 79 80 O 0.31517423307538 0.87514550774629 0.63264176672089 15.999 > 79 81 O 0.60331437513752 0.41769074475154 0.94437626043176 15.999 > 81 82 O 0.60331437513752 0.91769074475154 0.94437626043176 15.999 > 81 83 O 0.83644685617029 0.36700614240014 0.63474015148825 15.999 > 83 84 O 0.83644685617029 0.86700614240014 0.63474015148825 15.999 > 83 85 O 0.02675507440710 0.43653008083883 0.90413110382100 15.999 > 85 86 O 0.02675507440710 0.93653008083883 0.90413110382100 15.999 > 85 87 O 0.85364634864997 0.27258804745661 0.91602998961483 15.999 > 87 88 O 0.85364634864997 0.77258804745661 0.91602998961483 15.999 > 87 89 O 0.85420385161443 0.13035306236354 0.27278947857254 15.999 > 89 90 O 0.85420385161443 0.63035306236354 0.27278947857254 15.999 > 89 91 O 0.83644685617029 0.38299385759986 0.13474015148825 15.999 > 91 92 O 0.83644685617029 0.88299385759986 0.13474015148825 15.999 > 91 93 O 0.85364634864997 0.47741195254339 0.41602998961483 15.999 > 93 94 O 0.85364634864997 0.97741195254339 0.41602998961483 15.999 > 93 95 O 0.36527900407868 0.17748494880639 0.83172646537131 15.999 > 95 96 O 0.36527900407868 0.67748494880639 0.83172646537131 15.999 > 95 97 O 0.60331437513752 0.33230925524846 0.44437626043176 15.999 > 97 98 O 0.60331437513752 0.83230925524846 0.44437626043176 15.999 > 97 99 O 0.97324492559290 0.06346991916117 0.09586889617900 15.999 > 99 100 O 0.97324492559290 0.56346991916117 0.09586889617900 15.999 > 99 101 O 0.97324492559290 0.18653008083883 0.59586889617900 15.999 > 101 102 O 0.97324492559290 0.68653008083883 0.59586889617900 15.999 > 101 103 O 0.14579614838557 0.38035306236354 0.22721052142746 15.999 > 103 104 O 0.14579614838557 0.88035306236354 0.22721052142746 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2270542 0.0000000 -0.1288131 0.0000000 3.3463296 0.0000000 -0.1288015 0.0000000 3.2912844 -------------------------- Born effective charges -------------------------- 1 Na 1.3632306 0.0686668 0.2063607 0.0429975 1.0463970 0.0168031 0.1414630 0.0654421 1.1203254 2 Na 1.3632306 -0.0686668 0.2063607 -0.0429975 1.0463970 -0.0168031 0.1414630 -0.0654421 1.1203254 3 Na 1.2584505 0.0162480 0.1190367 0.0392410 1.0723474 -0.0643591 0.1371338 -0.0256572 1.1230418 4 Na 1.2584505 0.0162480 0.1190367 0.0392410 1.0723474 -0.0643591 0.1371338 -0.0256572 1.1230418 5 Na 1.3632306 0.0686668 0.2063607 0.0429975 1.0463970 0.0168031 0.1414630 0.0654421 1.1203254 6 Na 1.2584505 -0.0162480 0.1190367 -0.0392410 1.0723474 0.0643591 0.1371338 0.0256572 1.1230418 7 Na 1.3632306 -0.0686668 0.2063607 -0.0429975 1.0463970 -0.0168031 0.1414630 -0.0654421 1.1203254 8 Na 1.2584505 -0.0162480 0.1190367 -0.0392410 1.0723474 0.0643591 0.1371338 0.0256572 1.1230418 9 Er 2.9126836 -0.1667092 -0.5899408 -0.0376381 4.0737303 0.1309293 -0.6836993 -0.0133615 3.6642042 10 Er 2.9126836 0.1667092 -0.5899408 0.0376381 4.0737303 -0.1309293 -0.6836993 0.0133615 3.6642042 11 Er 3.3163931 -0.1414007 -0.2280474 -0.1911473 3.8177030 -0.1367702 -0.1844162 -0.1477064 3.5721137 12 Er 3.3163931 0.1414007 -0.2280474 0.1911473 3.8177030 0.1367702 -0.1844162 0.1477064 3.5721137 13 Er 2.9126836 -0.1667092 -0.5899408 -0.0376381 4.0737303 0.1309293 -0.6836993 -0.0133615 3.6642042 14 Er 2.9126836 0.1667092 -0.5899408 0.0376381 4.0737303 -0.1309293 -0.6836993 0.0133615 3.6642042 15 Er 3.3163931 -0.1414007 -0.2280474 -0.1911473 3.8177030 -0.1367702 -0.1844162 -0.1477064 3.5721137 16 Er 3.3163931 0.1414007 -0.2280474 0.1911473 3.8177030 0.1367702 -0.1844162 0.1477064 3.5721137 17 B 2.2370210 -0.2756527 -0.4525326 -0.4677875 2.3894326 -0.6514161 -0.3966170 -0.6154710 1.3501723 18 B 2.4231539 0.4885260 0.0896948 0.4805380 0.8653100 -0.8067775 0.0124590 -0.8939895 2.2565210 19 B 2.4231539 -0.4885260 0.0896948 -0.4805380 0.8653100 0.8067775 0.0124590 0.8939895 2.2565210 20 B 2.4231539 -0.4885260 0.0896948 -0.4805380 0.8653100 0.8067775 0.0124590 0.8939895 2.2565210 21 B 2.2370210 0.2756527 -0.4525326 0.4677875 2.3894326 0.6514161 -0.3966170 0.6154710 1.3501723 22 B 2.2370210 -0.2756527 -0.4525326 -0.4677875 2.3894326 -0.6514161 -0.3966170 -0.6154710 1.3501723 23 B 2.2370210 0.2756527 -0.4525326 0.4677875 2.3894326 0.6514161 -0.3966170 0.6154710 1.3501723 24 B 2.4231539 0.4885260 0.0896948 0.4805380 0.8653100 -0.8067775 0.0124590 -0.8939895 2.2565210 25 O -2.0311548 -0.2174523 0.6617989 -0.0699908 -2.1007981 0.2771150 0.7730613 0.3113957 -1.5886995 26 O -1.8559660 0.0887191 -0.1831917 0.0727543 -1.2381696 -0.4342306 -0.1258418 -0.4780009 -2.0860870 27 O -2.1950162 -0.1898432 -0.0164431 -0.2227807 -1.8122942 0.0548294 -0.0338043 0.0433859 -1.2392547 28 O -2.0311548 0.2174523 0.6617989 0.0699908 -2.1007981 -0.2771150 0.7730613 -0.3113957 -1.5886995 29 O -2.1950162 0.1898432 -0.0164431 0.2227807 -1.8122942 -0.0548294 -0.0338043 -0.0433859 -1.2392547 30 O -1.8559660 -0.0887191 -0.1831917 -0.0727543 -1.2381696 0.4342306 -0.1258418 0.4780009 -2.0860870 31 O -2.2920102 -0.1304441 -0.2924429 -0.0672859 -1.6280270 0.1187288 -0.2729832 0.1372550 -1.9729345 32 O -2.1950162 -0.1898432 -0.0164431 -0.2227807 -1.8122942 0.0548294 -0.0338043 0.0433859 -1.2392547 33 O -1.8776181 -0.3796819 0.2019753 -0.3053677 -1.3269061 0.4684682 0.2136036 0.4492598 -2.0739904 34 O -2.2920102 0.1304441 -0.2924429 0.0672859 -1.6280270 -0.1187288 -0.2729832 -0.1372550 -1.9729345 35 O -1.3967034 -0.0709543 0.2704778 -0.2466125 -2.6660937 -0.4034712 0.2577010 -0.2785206 -1.6601719 36 O -1.3967034 0.0709543 0.2704778 0.2466125 -2.6660937 0.4034712 0.2577010 0.2785206 -1.6601719 37 O -1.8776181 0.3796819 0.2019753 0.3053677 -1.3269061 -0.4684682 0.2136036 -0.4492598 -2.0739904 38 O -1.8776181 0.3796819 0.2019753 0.3053677 -1.3269061 -0.4684682 0.2136036 -0.4492598 -2.0739904 39 O -1.8624640 -0.0070933 0.2132543 0.1089380 -2.4926315 0.2538754 0.1619400 0.4220338 -2.4652406 40 O -2.1950162 0.1898432 -0.0164431 0.2227807 -1.8122942 -0.0548294 -0.0338043 -0.0433859 -1.2392547 41 O -1.8559660 -0.0887191 -0.1831917 -0.0727543 -1.2381696 0.4342306 -0.1258418 0.4780009 -2.0860870 42 O -2.2920102 0.1304441 -0.2924429 0.0672859 -1.6280270 -0.1187288 -0.2729832 -0.1372550 -1.9729345 43 O -1.8624640 0.0070933 0.2132543 -0.1089380 -2.4926315 -0.2538754 0.1619400 -0.4220338 -2.4652406 44 O -1.3967034 -0.0709543 0.2704778 -0.2466125 -2.6660937 -0.4034712 0.2577010 -0.2785206 -1.6601719 45 O -2.0311548 -0.2174523 0.6617989 -0.0699908 -2.1007981 0.2771150 0.7730613 0.3113957 -1.5886995 46 O -2.2920102 -0.1304441 -0.2924429 -0.0672859 -1.6280270 0.1187288 -0.2729832 0.1372550 -1.9729345 47 O -1.3967034 0.0709543 0.2704778 0.2466125 -2.6660937 0.4034712 0.2577010 0.2785206 -1.6601719 48 O -1.8776181 -0.3796819 0.2019753 -0.3053677 -1.3269061 0.4684682 0.2136036 0.4492598 -2.0739904 49 O -1.8559660 0.0887191 -0.1831917 0.0727543 -1.2381696 -0.4342306 -0.1258418 -0.4780009 -2.0860870 50 O -1.8624640 0.0070933 0.2132543 -0.1089380 -2.4926315 -0.2538754 0.1619400 -0.4220338 -2.4652406 51 O -1.8624640 -0.0070933 0.2132543 0.1089380 -2.4926315 0.2538754 0.1619400 0.4220338 -2.4652406 52 O -2.0311548 0.2174523 0.6617989 0.0699908 -2.1007981 -0.2771150 0.7730613 -0.3113957 -1.5886995 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 6 ] 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: 0.50, Number of G-points: 281, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency 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 2.169 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.145 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.255 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 0.000) 0.000 5.392 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 5.876 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.460 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 6.752 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.108 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.389 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.773 ( 0.000 0.000 0.000) 0.000 7.897 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.162 ( 0.000 0.000 0.000) 0.000 8.229 ( 0.000 0.000 0.000) 0.000 8.295 ( 0.000 0.000 0.000) 0.000 8.332 ( 0.000 0.000 0.000) 0.000 8.408 ( 0.000 0.000 0.000) 0.000 8.422 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 8.860 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 0.000) 0.000 9.092 ( 0.000 0.000 0.000) 0.000 9.151 ( 0.000 0.000 0.000) 0.000 9.254 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 10.101 ( 0.000 0.000 0.000) 0.000 10.190 ( 0.000 0.000 0.000) 0.000 10.636 ( 0.000 0.000 0.000) 0.000 10.650 ( 0.000 0.000 0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.682 ( 0.000 0.000 0.000) 0.000 11.766 ( 0.000 0.000 0.000) 0.000 12.297 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 12.758 ( 0.000 0.000 0.000) 0.000 12.908 ( 0.000 0.000 0.000) 0.000 13.578 ( 0.000 0.000 0.000) 0.000 15.205 ( 0.000 0.000 0.000) 0.000 15.541 ( 0.000 0.000 0.000) 0.000 16.279 ( 0.000 0.000 0.000) 0.000 16.283 ( 0.000 0.000 0.000) 0.000 17.047 ( 0.000 0.000 0.000) 0.000 17.067 ( 0.000 0.000 0.000) 0.000 17.230 ( 0.000 0.000 0.000) 0.000 17.329 ( 0.000 0.000 0.000) 0.000 17.403 ( 0.000 0.000 0.000) 0.000 17.411 ( 0.000 0.000 0.000) 0.000 17.735 ( 0.000 0.000 0.000) 0.000 17.783 ( 0.000 0.000 0.000) 0.000 18.033 ( 0.000 0.000 0.000) 0.000 18.053 ( 0.000 0.000 0.000) 0.000 18.126 ( 0.000 0.000 0.000) 0.000 18.314 ( 0.000 0.000 0.000) 0.000 18.556 ( 0.000 0.000 0.000) 0.000 18.708 ( 0.000 0.000 0.000) 0.000 18.748 ( 0.000 0.000 0.000) 0.000 18.987 ( 0.000 0.000 0.000) 0.000 20.513 ( 0.000 0.000 0.000) 0.000 20.607 ( 0.000 0.000 0.000) 0.000 20.619 ( 0.000 0.000 0.000) 0.000 20.661 ( 0.000 0.000 0.000) 0.000 21.473 ( 0.000 0.000 0.000) 0.000 21.477 ( 0.000 0.000 0.000) 0.000 21.550 ( 0.000 0.000 0.000) 0.000 21.554 ( 0.000 0.000 0.000) 0.000 27.405 ( 0.000 0.000 0.000) 0.000 27.425 ( 0.000 0.000 0.000) 0.000 27.447 ( 0.000 0.000 0.000) 0.000 27.466 ( 0.000 0.000 0.000) 0.000 27.751 ( 0.000 0.000 0.000) 0.000 27.771 ( 0.000 0.000 0.000) 0.000 27.801 ( 0.000 0.000 0.000) 0.000 27.818 ( 0.000 0.000 0.000) 0.000 35.200 ( 0.000 0.000 0.000) 0.000 35.256 ( 0.000 0.000 0.000) 0.000 35.576 ( 0.000 0.000 0.000) 0.000 35.655 ( 0.000 0.000 0.000) 0.000 35.808 ( 0.000 0.000 0.000) 0.000 36.166 ( 0.000 0.000 0.000) 0.000 36.452 ( 0.000 0.000 0.000) 0.000 36.783 ( 0.000 0.000 0.000) 0.000 39.475 ( 0.000 0.000 0.000) 0.000 39.574 ( 0.000 0.000 0.000) 0.000 39.926 ( 0.000 0.000 0.000) 0.000 40.200 ( 0.000 0.000 0.000) 0.000 40.343 ( 0.000 0.000 0.000) 0.000 40.556 ( 0.000 0.000 0.000) 0.000 41.256 ( 0.000 0.000 0.000) 0.000 41.692 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 25.650 0.000 12.109) 28.365 0.724 ( 25.468 0.000 19.927) 32.337 1.082 ( 41.154 0.000 20.594) 46.020 2.205 ( 1.643 0.000 2.870) 3.307 2.413 ( -1.076 0.000 -4.417) 4.546 2.541 ( -4.215 0.000 -7.520) 8.620 2.586 ( -7.027 0.000 -1.689) 7.227 2.657 ( -3.693 0.000 -0.538) 3.732 2.786 ( -5.475 0.000 -1.449) 5.664 2.920 ( -2.601 0.000 0.932) 2.762 2.940 ( 2.008 0.000 -0.035) 2.009 2.958 ( -0.885 0.000 -0.617) 1.079 3.089 ( 2.438 0.000 -2.212) 3.292 3.108 ( -5.219 0.000 3.265) 6.156 3.150 ( 0.798 0.000 -3.445) 3.536 3.222 ( -0.704 0.000 -0.337) 0.780 3.452 ( -0.400 0.000 -1.806) 1.850 3.517 ( -3.103 0.000 -0.885) 3.227 3.562 ( -0.864 0.000 0.448) 0.973 3.567 ( 4.911 0.000 2.618) 5.565 3.664 ( 3.362 0.000 2.018) 3.922 3.724 ( 11.072 0.000 4.024) 11.780 3.906 ( 2.764 0.000 -2.056) 3.444 4.007 ( 3.315 0.000 -5.056) 6.046 4.115 ( 0.825 0.000 6.459) 6.512 4.146 ( -2.391 0.000 2.562) 3.504 4.228 ( -2.688 0.000 1.026) 2.877 4.316 ( -1.585 0.000 -2.337) 2.824 4.362 ( -3.998 0.000 -6.675) 7.781 4.529 ( -2.791 0.000 -2.230) 3.572 4.595 ( 1.172 0.000 0.724) 1.378 4.685 ( 2.532 0.000 -4.464) 5.133 4.825 ( -3.146 0.000 -3.591) 4.774 4.834 ( -6.059 0.000 3.340) 6.918 4.999 ( 2.750 0.000 -1.413) 3.092 5.169 ( 5.935 0.000 0.288) 5.942 5.307 ( 2.513 0.000 1.715) 3.043 5.376 ( -7.610 0.000 2.225) 7.929 5.474 ( 4.114 0.000 1.753) 4.472 5.515 ( -6.501 0.000 -0.947) 6.570 5.654 ( -3.705 0.000 1.102) 3.865 5.669 ( -4.080 0.000 0.519) 4.113 5.785 ( -0.135 0.000 -2.731) 2.734 5.864 ( -2.223 0.000 -1.769) 2.842 5.911 ( 2.287 0.000 0.478) 2.336 6.014 ( 2.185 0.000 1.339) 2.563 6.021 ( 3.272 0.000 4.217) 5.337 6.091 ( 6.598 0.000 1.102) 6.689 6.107 ( -2.026 0.000 4.014) 4.496 6.262 ( -3.517 0.000 -4.498) 5.710 6.303 ( -2.013 0.000 -4.793) 5.199 6.425 ( 3.333 0.000 -0.015) 3.333 6.472 ( 2.581 0.000 2.470) 3.572 6.504 ( -0.238 0.000 -1.546) 1.564 6.726 ( -1.183 0.000 0.530) 1.296 6.745 ( 7.971 0.000 -2.135) 8.252 6.836 ( -0.208 0.000 -0.805) 0.831 6.879 ( -8.233 0.000 4.678) 9.469 6.913 ( 4.795 0.000 1.584) 5.050 7.009 ( 3.244 0.000 0.561) 3.292 7.049 ( 1.821 0.000 -4.048) 4.439 7.080 ( 6.682 0.000 -0.890) 6.741 7.123 ( -0.964 0.000 4.933) 5.026 7.140 ( 1.731 0.000 1.969) 2.622 7.274 ( -8.374 0.000 2.858) 8.848 7.391 ( -2.903 0.000 2.976) 4.157 7.474 ( -1.706 0.000 -1.501) 2.272 7.498 ( -5.316 0.000 -2.361) 5.816 7.574 ( -1.200 0.000 0.776) 1.429 7.586 ( 2.719 0.000 -4.749) 5.472 7.687 ( 1.047 0.000 3.598) 3.748 7.702 ( 4.840 0.000 4.109) 6.349 7.888 ( 2.498 0.000 1.405) 2.866 7.916 ( -2.197 0.000 1.781) 2.828 7.960 ( 3.823 0.000 -4.238) 5.707 8.009 ( -1.282 0.000 -2.786) 3.067 8.149 ( 2.052 0.000 -1.314) 2.436 8.179 ( -4.214 0.000 -8.804) 9.760 8.283 ( 2.830 0.000 3.557) 4.546 8.329 ( -2.004 0.000 -1.165) 2.318 8.341 ( -4.178 0.000 -4.513) 6.150 8.389 ( 5.859 0.000 5.419) 7.980 8.460 ( 2.493 0.000 3.363) 4.186 8.777 ( 0.219 0.000 -2.667) 2.676 8.882 ( -0.308 0.000 2.992) 3.008 8.975 ( -5.801 0.000 -2.623) 6.367 8.997 ( -7.872 0.000 1.060) 7.943 9.210 ( 3.218 0.000 -0.424) 3.246 9.312 ( 2.682 0.000 3.511) 4.418 9.655 ( -0.806 0.000 -0.275) 0.852 9.701 ( -2.116 0.000 -0.880) 2.292 10.001 ( -3.907 0.000 -1.869) 4.331 10.100 ( 1.701 0.000 -3.888) 4.243 10.359 ( 7.927 0.000 6.763) 10.420 10.663 ( -0.235 0.000 3.111) 3.120 11.007 ( -2.564 0.000 -2.641) 3.681 11.406 ( 11.143 0.000 -19.663) 22.601 11.673 ( -1.979 0.000 2.046) 2.847 11.746 ( -0.169 0.000 -3.018) 3.023 12.308 ( 4.639 0.000 -11.041) 11.976 12.745 ( -0.491 0.000 -1.441) 1.523 12.919 ( 0.934 0.000 0.159) 0.948 13.045 ( -13.262 0.000 20.717) 24.598 13.567 ( -0.884 0.000 -0.258) 0.921 15.183 ( -2.311 0.000 0.509) 2.367 15.863 ( -8.927 0.000 13.733) 16.380 16.276 ( -0.027 0.000 -1.050) 1.050 16.282 ( 0.626 0.000 -0.557) 0.838 17.034 ( -1.463 0.000 0.186) 1.475 17.073 ( 0.567 0.000 -0.109) 0.577 17.165 ( -4.928 0.000 -0.141) 4.930 17.343 ( 2.733 0.000 -0.570) 2.792 17.409 ( 0.480 0.000 0.326) 0.580 17.502 ( 5.760 0.000 1.319) 5.909 17.716 ( -1.980 0.000 0.172) 1.987 17.784 ( -0.478 0.000 -2.965) 3.003 18.037 ( 0.519 0.000 -0.077) 0.524 18.138 ( -1.310 0.000 -1.011) 1.655 18.150 ( 1.450 0.000 1.537) 2.113 18.299 ( -0.559 0.000 -1.715) 1.804 18.495 ( -3.810 0.000 -1.742) 4.189 18.723 ( 0.939 0.000 1.161) 1.494 18.805 ( 3.176 0.000 2.008) 3.758 19.035 ( 3.580 0.000 0.924) 3.697 20.597 ( -1.555 0.000 1.499) 2.160 20.628 ( 0.612 0.000 0.410) 0.736 20.663 ( -0.222 0.000 0.884) 0.911 20.676 ( -6.251 0.000 13.659) 15.022 21.460 ( -0.312 0.000 -0.867) 0.921 21.494 ( 0.660 0.000 0.195) 0.688 21.542 ( -0.328 0.000 -0.241) 0.407 21.563 ( 0.324 0.000 0.438) 0.545 27.368 ( -2.054 0.000 -0.432) 2.099 27.452 ( 0.655 0.000 -0.354) 0.744 27.452 ( 1.577 0.000 -0.176) 1.587 27.539 ( -1.555 0.000 2.382) 2.844 27.753 ( 0.177 0.000 -0.044) 0.183 27.771 ( 0.365 0.000 -0.577) 0.683 27.810 ( 0.288 0.000 -1.345) 1.376 27.810 ( -0.967 0.000 0.380) 1.040 35.205 ( 1.478 0.000 -1.569) 2.155 35.599 ( 1.179 0.000 0.990) 1.539 35.639 ( -0.926 0.000 -0.538) 1.071 35.792 ( 6.927 0.000 -10.198) 12.328 36.158 ( -0.864 0.000 0.660) 1.088 36.337 ( -4.801 0.000 -2.027) 5.211 36.594 ( 6.697 0.000 -2.112) 7.022 36.756 ( -1.831 0.000 -1.305) 2.248 39.439 ( -1.185 0.000 -2.761) 3.005 39.608 ( 0.842 0.000 2.934) 3.052 39.992 ( 3.941 0.000 5.113) 6.456 40.391 ( 3.424 0.000 1.716) 3.830 40.505 ( -2.686 0.000 -4.272) 5.046 41.195 ( 13.923 0.000 -25.022) 28.635 41.251 ( -1.853 0.000 2.608) 3.199 41.645 ( -3.197 0.000 -2.363) 3.975 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 14.051 0.000 6.816) 15.617 1.294 ( 14.907 0.000 9.956) 17.926 1.853 ( 17.836 0.000 13.219) 22.201 2.246 ( 0.158 0.000 -1.286) 1.296 2.323 ( -6.885 0.000 2.454) 7.309 2.373 ( -6.532 0.000 -0.507) 6.552 2.388 ( -1.492 0.000 -14.045) 14.124 2.603 ( -3.713 0.000 -5.347) 6.510 2.642 ( -0.616 0.000 3.194) 3.253 2.851 ( -1.833 0.000 -1.919) 2.654 2.942 ( 1.197 0.000 3.667) 3.858 3.000 ( -1.292 0.000 -1.605) 2.061 3.087 ( -1.098 0.000 -0.429) 1.179 3.147 ( 3.739 0.000 2.209) 4.343 3.173 ( 2.247 0.000 -0.910) 2.424 3.216 ( -0.374 0.000 -0.066) 0.380 3.405 ( -1.188 0.000 -1.053) 1.587 3.441 ( -2.587 0.000 -0.535) 2.642 3.530 ( -1.878 0.000 -0.164) 1.885 3.656 ( 1.527 0.000 1.928) 2.459 3.770 ( 3.156 0.000 1.645) 3.559 3.904 ( 2.508 0.000 -2.685) 3.674 3.969 ( 7.238 0.000 3.410) 8.001 4.078 ( 7.539 0.000 -2.956) 8.098 4.104 ( -5.045 0.000 1.830) 5.367 4.161 ( -2.422 0.000 1.912) 3.086 4.218 ( 0.762 0.000 3.006) 3.101 4.237 ( -3.614 0.000 1.071) 3.770 4.257 ( -1.344 0.000 -2.237) 2.610 4.381 ( -6.867 0.000 -6.038) 9.144 4.598 ( -0.558 0.000 -0.654) 0.859 4.710 ( 1.999 0.000 -0.408) 2.040 4.726 ( -2.427 0.000 -2.738) 3.659 4.787 ( -1.267 0.000 0.653) 1.426 5.029 ( 1.459 0.000 -0.681) 1.610 5.207 ( -5.940 0.000 -1.984) 6.262 5.301 ( 5.957 0.000 -0.570) 5.984 5.352 ( -0.343 0.000 3.651) 3.667 5.465 ( -1.455 0.000 2.063) 2.524 5.578 ( 4.190 0.000 -1.375) 4.410 5.591 ( -3.304 0.000 2.149) 3.941 5.591 ( -2.456 0.000 -0.462) 2.499 5.778 ( 0.653 0.000 -1.008) 1.201 5.797 ( -2.688 0.000 -0.519) 2.738 5.952 ( 4.005 0.000 -0.600) 4.049 6.041 ( -5.881 0.000 3.358) 6.772 6.090 ( 4.649 0.000 -2.714) 5.383 6.146 ( -3.176 0.000 -2.305) 3.924 6.178 ( 8.702 0.000 2.468) 9.045 6.188 ( -4.056 0.000 -3.119) 5.117 6.296 ( 5.560 0.000 8.721) 10.343 6.375 ( -7.562 0.000 -1.689) 7.749 6.444 ( -2.522 0.000 -4.974) 5.577 6.589 ( 5.549 0.000 2.737) 6.187 6.730 ( 1.318 0.000 -0.494) 1.407 6.759 ( -6.672 0.000 0.620) 6.701 6.811 ( -1.047 0.000 -0.070) 1.049 6.891 ( 6.522 0.000 0.108) 6.523 7.019 ( 4.118 0.000 1.627) 4.428 7.050 ( -2.086 0.000 1.126) 2.371 7.094 ( 1.798 0.000 -2.262) 2.889 7.150 ( 3.642 0.000 -1.038) 3.787 7.183 ( 3.104 0.000 -1.244) 3.344 7.186 ( 0.502 0.000 2.725) 2.771 7.212 ( 1.089 0.000 0.584) 1.236 7.358 ( -3.477 0.000 3.997) 5.298 7.402 ( -1.883 0.000 -1.105) 2.183 7.414 ( -1.003 0.000 -2.361) 2.565 7.559 ( 0.184 0.000 -2.245) 2.253 7.614 ( 0.555 0.000 2.810) 2.864 7.718 ( -4.532 0.000 -1.656) 4.825 7.773 ( 0.561 0.000 6.038) 6.064 7.876 ( -0.815 0.000 0.625) 1.027 7.878 ( -1.216 0.000 -2.210) 2.522 7.966 ( 0.219 0.000 -2.138) 2.149 8.010 ( -3.584 0.000 -3.436) 4.965 8.020 ( 4.646 0.000 -0.366) 4.661 8.184 ( -5.961 0.000 -2.564) 6.489 8.228 ( 3.259 0.000 1.552) 3.610 8.310 ( 0.263 0.000 -0.747) 0.792 8.378 ( 1.500 0.000 1.430) 2.072 8.542 ( 2.503 0.000 1.917) 3.153 8.596 ( 7.057 0.000 8.876) 11.340 8.766 ( 0.121 0.000 -3.203) 3.205 8.824 ( -3.493 0.000 -5.534) 6.544 8.852 ( -5.280 0.000 -1.308) 5.439 8.890 ( -1.892 0.000 1.799) 2.611 9.238 ( 0.693 0.000 -0.781) 1.044 9.382 ( 1.000 0.000 2.338) 2.543 9.633 ( -0.709 0.000 -0.541) 0.891 9.651 ( -1.648 0.000 -0.561) 1.741 9.943 ( -0.821 0.000 -1.045) 1.329 10.089 ( 0.780 0.000 -2.472) 2.592 10.556 ( 5.283 0.000 4.105) 6.690 10.693 ( 0.171 0.000 1.983) 1.991 10.919 ( -2.735 0.000 -2.774) 3.895 11.418 ( 2.958 0.000 -5.029) 5.834 11.657 ( -1.484 0.000 1.939) 2.441 11.714 ( 0.107 0.000 -2.568) 2.571 12.288 ( 0.803 0.000 -2.873) 2.983 12.721 ( -0.399 0.000 -0.929) 1.011 12.937 ( 0.850 0.000 -0.337) 0.915 13.001 ( -4.565 0.000 5.750) 7.342 13.549 ( -0.546 0.000 -0.185) 0.577 15.147 ( -1.377 0.000 0.361) 1.424 15.834 ( -2.490 0.000 2.881) 3.808 16.266 ( -0.030 0.000 -0.674) 0.675 16.289 ( 0.413 0.000 -0.305) 0.513 17.006 ( -1.018 0.000 -0.113) 1.024 17.082 ( 0.336 0.000 -0.079) 0.345 17.090 ( -2.162 0.000 -0.169) 2.168 17.395 ( 2.243 0.000 -0.291) 2.262 17.424 ( 0.500 0.000 0.268) 0.567 17.608 ( 3.513 0.000 1.263) 3.733 17.671 ( -2.499 0.000 -0.174) 2.505 17.747 ( -0.926 0.000 -0.807) 1.229 18.048 ( 0.449 0.000 -0.023) 0.449 18.106 ( -0.961 0.000 -0.326) 1.014 18.192 ( 0.567 0.000 1.618) 1.715 18.274 ( 0.557 0.000 -2.167) 2.238 18.416 ( -2.613 0.000 -0.369) 2.639 18.754 ( 0.789 0.000 0.685) 1.045 18.868 ( 1.485 0.000 0.813) 1.693 19.102 ( 1.902 0.000 0.470) 1.959 20.585 ( -0.644 0.000 0.561) 0.854 20.642 ( 0.437 0.000 0.004) 0.437 20.669 ( -0.167 0.000 0.829) 0.846 20.690 ( -1.175 0.000 3.061) 3.279 21.450 ( -0.141 0.000 -0.290) 0.322 21.504 ( 0.228 0.000 0.118) 0.257 21.535 ( -0.144 0.000 -0.083) 0.166 21.572 ( 0.140 0.000 0.209) 0.251 27.334 ( -0.914 0.000 -0.285) 0.957 27.461 ( 0.484 0.000 -0.274) 0.556 27.472 ( 0.610 0.000 -0.115) 0.621 27.533 ( -0.644 0.000 0.771) 1.005 27.756 ( 0.151 0.000 -0.022) 0.153 27.775 ( 0.831 0.000 -0.724) 1.103 27.793 ( -1.203 0.000 0.609) 1.349 27.802 ( -0.130 0.000 -0.326) 0.351 35.224 ( 1.361 0.000 -0.856) 1.608 35.617 ( -0.042 0.000 0.372) 0.374 35.623 ( -0.346 0.000 -0.090) 0.358 35.814 ( 2.100 0.000 -2.978) 3.644 36.157 ( -0.019 0.000 0.625) 0.625 36.258 ( -2.109 0.000 -0.148) 2.114 36.669 ( 2.258 0.000 -0.282) 2.275 36.708 ( -1.327 0.000 -0.902) 1.604 39.400 ( -0.514 0.000 -1.215) 1.320 39.642 ( 0.385 0.000 1.161) 1.223 40.157 ( 5.953 0.000 7.454) 9.539 40.350 ( -5.563 0.000 -6.137) 8.283 40.497 ( 2.940 0.000 0.515) 2.985 41.215 ( 6.819 0.000 -10.786) 12.761 41.237 ( -3.888 0.000 5.595) 6.813 41.559 ( -2.401 0.000 -1.711) 2.948 ======================= Grid point 5 (4/80) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.000 26.660 0.000) 26.660 0.610 ( 0.000 29.710 0.000) 29.710 1.158 ( 0.000 55.183 0.000) 55.183 2.189 ( 0.000 2.002 0.000) 2.002 2.419 ( 0.000 -1.081 0.000) 1.081 2.652 ( 0.000 0.725 0.000) 0.725 2.684 ( 0.000 0.891 0.000) 0.891 2.752 ( 0.000 2.408 0.000) 2.408 2.898 ( 0.000 -0.775 0.000) 0.775 2.921 ( 0.000 2.311 0.000) 2.311 2.931 ( 0.000 8.502 0.000) 8.502 3.052 ( 0.000 -0.401 0.000) 0.401 3.120 ( 0.000 0.189 0.000) 0.189 3.146 ( 0.000 -2.115 0.000) 2.115 3.266 ( 0.000 -4.374 0.000) 4.374 3.266 ( 0.000 6.639 0.000) 6.639 3.361 ( 0.000 4.868 0.000) 4.868 3.479 ( 0.000 -2.041 0.000) 2.041 3.562 ( 0.000 0.534 0.000) 0.534 3.606 ( 0.000 3.703 0.000) 3.703 3.608 ( 0.000 1.504 0.000) 1.504 3.669 ( 0.000 6.872 0.000) 6.872 3.914 ( 0.000 1.915 0.000) 1.915 3.990 ( 0.000 -2.186 0.000) 2.186 4.084 ( 0.000 1.849 0.000) 1.849 4.166 ( 0.000 0.772 0.000) 0.772 4.261 ( 0.000 2.167 0.000) 2.167 4.335 ( 0.000 -2.371 0.000) 2.371 4.486 ( 0.000 -2.513 0.000) 2.513 4.551 ( 0.000 4.844 0.000) 4.844 4.597 ( 0.000 0.741 0.000) 0.741 4.692 ( 0.000 0.439 0.000) 0.439 4.896 ( 0.000 2.448 0.000) 2.448 4.915 ( 0.000 -3.184 0.000) 3.184 5.024 ( 0.000 4.177 0.000) 4.177 5.072 ( 0.000 -3.294 0.000) 3.294 5.299 ( 0.000 -0.424 0.000) 0.424 5.378 ( 0.000 -5.651 0.000) 5.651 5.394 ( 0.000 -0.670 0.000) 0.670 5.540 ( 0.000 -6.605 0.000) 6.605 5.615 ( 0.000 -6.347 0.000) 6.347 5.779 ( 0.000 -6.445 0.000) 6.445 5.798 ( 0.000 4.003 0.000) 4.003 5.828 ( 0.000 1.891 0.000) 1.891 5.937 ( 0.000 -0.028 0.000) 0.028 5.987 ( 0.000 -1.013 0.000) 1.013 6.010 ( 0.000 0.686 0.000) 0.686 6.101 ( 0.000 -0.442 0.000) 0.442 6.122 ( 0.000 5.551 0.000) 5.551 6.293 ( 0.000 -6.825 0.000) 6.825 6.386 ( 0.000 5.402 0.000) 5.402 6.414 ( 0.000 2.497 0.000) 2.497 6.463 ( 0.000 0.606 0.000) 0.606 6.586 ( 0.000 10.461 0.000) 10.461 6.642 ( 0.000 1.374 0.000) 1.374 6.743 ( 0.000 -1.560 0.000) 1.560 6.792 ( 0.000 -4.716 0.000) 4.716 6.842 ( 0.000 1.397 0.000) 1.397 6.872 ( 0.000 -4.263 0.000) 4.263 7.009 ( 0.000 1.804 0.000) 1.804 7.021 ( 0.000 -3.378 0.000) 3.378 7.045 ( 0.000 0.862 0.000) 0.862 7.053 ( 0.000 6.186 0.000) 6.186 7.232 ( 0.000 -6.746 0.000) 6.746 7.382 ( 0.000 -2.462 0.000) 2.462 7.385 ( 0.000 -1.241 0.000) 1.241 7.456 ( 0.000 -0.050 0.000) 0.050 7.478 ( 0.000 0.866 0.000) 0.866 7.634 ( 0.000 0.223 0.000) 0.223 7.635 ( 0.000 5.959 0.000) 5.959 7.697 ( 0.000 2.957 0.000) 2.957 7.761 ( 0.000 -2.926 0.000) 2.926 7.811 ( 0.000 0.212 0.000) 0.212 7.903 ( 0.000 -1.194 0.000) 1.194 7.906 ( 0.000 0.330 0.000) 0.330 7.974 ( 0.000 -3.299 0.000) 3.299 8.058 ( 0.000 -0.416 0.000) 0.416 8.183 ( 0.000 -2.164 0.000) 2.164 8.257 ( 0.000 1.255 0.000) 1.255 8.345 ( 0.000 0.467 0.000) 0.467 8.399 ( 0.000 -1.748 0.000) 1.748 8.523 ( 0.000 3.115 0.000) 3.115 8.557 ( 0.000 10.721 0.000) 10.721 8.672 ( 0.000 -9.562 0.000) 9.562 8.844 ( 0.000 -1.717 0.000) 1.717 8.974 ( 0.000 -7.235 0.000) 7.235 9.034 ( 0.000 -1.268 0.000) 1.268 9.184 ( 0.000 6.874 0.000) 6.874 9.294 ( 0.000 2.370 0.000) 2.370 9.659 ( 0.000 -0.582 0.000) 0.582 9.711 ( 0.000 -1.492 0.000) 1.492 9.922 ( 0.000 -5.440 0.000) 5.440 10.366 ( 0.000 10.908 0.000) 10.908 10.581 ( 0.000 0.221 0.000) 0.221 10.618 ( 0.000 -2.920 0.000) 2.920 10.672 ( 0.000 3.239 0.000) 3.239 11.042 ( 0.000 -0.159 0.000) 0.159 11.776 ( 0.000 0.763 0.000) 0.763 12.282 ( 0.000 -1.147 0.000) 1.147 12.636 ( 0.000 -1.234 0.000) 1.234 12.680 ( 0.000 -0.859 0.000) 0.859 12.783 ( 0.000 -2.491 0.000) 2.491 12.954 ( 0.000 4.094 0.000) 4.094 13.576 ( 0.000 -0.440 0.000) 0.440 15.526 ( 0.000 -1.272 0.000) 1.272 15.878 ( 0.000 -3.508 0.000) 3.508 16.286 ( 0.000 0.374 0.000) 0.374 16.318 ( 0.000 3.262 0.000) 3.262 17.026 ( 0.000 -1.656 0.000) 1.656 17.042 ( 0.000 -1.891 0.000) 1.891 17.226 ( 0.000 -0.630 0.000) 0.630 17.360 ( 0.000 2.446 0.000) 2.446 17.403 ( 0.000 0.596 0.000) 0.596 17.489 ( 0.000 4.554 0.000) 4.554 17.676 ( 0.000 -4.322 0.000) 4.322 17.817 ( 0.000 1.875 0.000) 1.875 18.022 ( 0.000 -1.066 0.000) 1.066 18.023 ( 0.000 -2.231 0.000) 2.231 18.133 ( 0.000 -0.171 0.000) 0.171 18.348 ( 0.000 -0.778 0.000) 0.778 18.521 ( 0.000 -3.035 0.000) 3.035 18.650 ( 0.000 -4.775 0.000) 4.775 18.738 ( 0.000 -6.390 0.000) 6.390 18.961 ( 0.000 -2.567 0.000) 2.567 20.510 ( 0.000 -0.156 0.000) 0.156 20.595 ( 0.000 -1.027 0.000) 1.027 20.668 ( 0.000 0.461 0.000) 0.461 20.771 ( 0.000 -0.887 0.000) 0.887 21.480 ( 0.000 0.627 0.000) 0.627 21.480 ( 0.000 0.352 0.000) 0.352 21.565 ( 0.000 1.022 0.000) 1.022 21.722 ( 0.000 -0.307 0.000) 0.307 27.401 ( 0.000 -0.316 0.000) 0.316 27.424 ( 0.000 -0.169 0.000) 0.169 27.458 ( 0.000 0.905 0.000) 0.905 27.468 ( 0.000 0.129 0.000) 0.129 27.757 ( 0.000 0.584 0.000) 0.584 27.788 ( 0.000 1.076 0.000) 1.076 27.796 ( 0.000 0.040 0.000) 0.040 27.843 ( 0.000 1.762 0.000) 1.762 35.270 ( 0.000 1.280 0.000) 1.280 35.322 ( 0.000 -0.646 0.000) 0.646 35.550 ( 0.000 -1.795 0.000) 1.795 35.665 ( 0.000 0.903 0.000) 0.903 35.846 ( 0.000 3.070 0.000) 3.070 36.210 ( 0.000 4.236 0.000) 4.236 36.421 ( 0.000 -3.135 0.000) 3.135 37.263 ( 0.000 -5.301 0.000) 5.301 39.493 ( 0.000 1.623 0.000) 1.623 39.576 ( 0.000 0.152 0.000) 0.152 40.043 ( 0.000 -8.392 0.000) 8.392 40.467 ( 0.000 5.558 0.000) 5.558 40.702 ( 0.000 13.607 0.000) 13.607 40.853 ( 0.000 -10.499 0.000) 10.499 41.120 ( 0.000 -7.876 0.000) 7.876 41.785 ( 0.000 4.350 0.000) 4.350 ======================= Grid point 6 (5/80) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 16.166 15.254 19.361) 29.477 0.943 ( 22.762 18.056 6.844) 29.849 1.496 ( 21.764 36.431 10.352) 43.681 2.231 ( 1.356 1.765 2.299) 3.200 2.379 ( -0.102 -0.586 -6.479) 6.506 2.574 ( -7.647 3.265 0.236) 8.319 2.642 ( -3.663 -0.116 -2.792) 4.607 2.692 ( -2.411 6.198 1.182) 6.755 2.820 ( -2.217 0.066 -7.906) 8.211 2.921 ( -3.854 1.816 -0.243) 4.267 2.955 ( -2.225 0.445 1.086) 2.516 3.006 ( -0.246 2.982 4.442) 5.356 3.069 ( -0.464 -0.009 -3.409) 3.441 3.116 ( -2.109 2.416 2.270) 3.929 3.212 ( -2.091 3.715 -2.691) 5.041 3.313 ( 2.437 6.490 -1.142) 7.026 3.396 ( 3.663 -3.277 1.911) 5.274 3.515 ( -3.070 2.390 -0.978) 4.011 3.544 ( -0.829 1.018 0.447) 1.387 3.618 ( 2.344 -1.121 1.303) 2.907 3.704 ( 4.323 5.262 2.441) 7.234 3.726 ( 7.226 0.986 3.338) 8.021 3.931 ( 3.032 0.253 -5.233) 6.053 4.003 ( 1.834 -0.897 2.445) 3.185 4.079 ( -0.385 -0.540 -1.625) 1.755 4.167 ( -2.202 -0.009 3.497) 4.132 4.246 ( -2.306 2.923 0.949) 3.842 4.337 ( 0.005 1.463 2.445) 2.849 4.410 ( -3.329 2.482 -7.707) 8.754 4.530 ( -2.604 2.693 1.481) 4.028 4.612 ( 1.675 1.041 -1.392) 2.414 4.693 ( 2.011 -0.210 -4.569) 4.996 4.830 ( -5.898 -0.010 1.263) 6.031 4.849 ( -3.159 1.459 -3.125) 4.677 5.045 ( 1.233 3.127 0.231) 3.369 5.133 ( 5.410 -3.122 0.392) 6.258 5.313 ( -1.295 0.190 0.374) 1.361 5.357 ( -1.505 -1.812 -0.348) 2.381 5.381 ( 1.881 -5.643 0.841) 6.007 5.464 ( -5.169 -4.435 -0.045) 6.811 5.614 ( -2.535 -5.809 0.959) 6.410 5.711 ( -5.179 0.100 -1.633) 5.431 5.745 ( -1.342 -1.803 -1.640) 2.783 5.863 ( -0.899 1.856 -2.623) 3.336 5.920 ( 1.595 -0.518 1.434) 2.207 5.976 ( -0.499 -2.733 3.229) 4.260 6.061 ( 0.666 0.940 -0.160) 1.163 6.079 ( -0.547 -0.472 4.549) 4.606 6.114 ( 3.823 2.433 -2.571) 5.210 6.222 ( -4.526 -3.810 -0.385) 5.928 6.371 ( -0.556 5.239 -3.492) 6.321 6.433 ( 0.889 -0.127 1.075) 1.400 6.498 ( 0.789 1.668 -1.007) 2.103 6.587 ( 1.639 6.807 -2.216) 7.344 6.700 ( 3.601 3.044 1.599) 4.979 6.770 ( 3.905 -1.652 1.100) 4.380 6.803 ( -4.116 -1.182 4.653) 6.323 6.890 ( 4.004 -0.075 0.695) 4.064 6.943 ( 4.999 -0.664 0.650) 5.085 6.998 ( 2.765 -0.846 -0.922) 3.035 7.062 ( 0.731 1.032 0.566) 1.385 7.069 ( 0.006 2.606 5.626) 6.200 7.136 ( 7.041 2.427 -0.914) 7.504 7.205 ( -0.772 1.515 -0.120) 1.704 7.336 ( -3.934 -1.576 1.240) 4.416 7.401 ( -1.738 0.328 -0.161) 1.776 7.445 ( -2.644 1.056 0.899) 2.985 7.507 ( -5.331 2.527 -0.194) 5.903 7.560 ( 1.705 -1.020 -5.229) 5.594 7.588 ( -1.615 -0.339 -0.947) 1.902 7.666 ( 2.425 0.600 1.367) 2.848 7.743 ( 0.268 1.331 3.236) 3.509 7.798 ( -5.818 -4.833 2.173) 7.869 7.862 ( 2.735 -0.978 4.121) 5.042 8.001 ( 2.770 0.078 -5.312) 5.992 8.018 ( 2.522 -0.881 -2.830) 3.892 8.068 ( -1.907 -3.007 -0.471) 3.591 8.227 ( 3.735 1.625 -1.282) 4.270 8.263 ( -3.729 -4.271 2.279) 6.110 8.325 ( 0.413 1.500 -2.874) 3.268 8.366 ( 2.276 2.889 -0.084) 3.679 8.469 ( -1.534 5.811 -2.634) 6.562 8.617 ( 2.286 8.842 5.251) 10.535 8.693 ( 0.618 -7.051 -2.690) 7.572 8.831 ( -3.036 -4.262 2.018) 5.609 8.934 ( -3.449 -3.168 0.099) 4.684 9.049 ( 0.082 -4.034 2.223) 4.607 9.154 ( -0.826 5.645 -2.040) 6.058 9.338 ( 0.747 0.766 1.077) 1.518 9.644 ( -1.661 -1.200 0.598) 2.135 9.693 ( -0.894 -0.770 -0.719) 1.381 9.987 ( 4.656 -6.630 0.109) 8.102 10.171 ( -9.682 12.686 -6.243) 17.136 10.433 ( 2.535 4.156 0.958) 4.961 10.637 ( 0.280 -2.444 2.840) 3.757 10.939 ( 4.037 -6.814 -2.261) 8.237 11.077 ( 5.412 -3.973 1.223) 6.824 11.755 ( -1.748 0.820 -0.339) 1.960 12.181 ( -13.700 14.711 1.934) 20.195 12.318 ( 7.777 3.259 -24.457) 25.870 12.721 ( 0.345 -2.169 -1.872) 2.886 12.908 ( -3.919 -8.197 12.011) 15.061 12.963 ( -1.845 2.778 4.767) 5.817 13.569 ( -0.414 -0.147 -0.602) 0.745 15.417 ( -4.734 11.420 -4.247) 13.071 15.820 ( -7.358 -3.409 7.613) 11.123 16.277 ( -0.089 0.139 -1.490) 1.499 16.295 ( -0.671 2.107 -0.169) 2.217 16.998 ( -2.218 -2.339 -0.386) 3.247 17.040 ( 0.587 -2.297 -0.574) 2.439 17.204 ( -2.871 2.592 1.404) 4.115 17.368 ( 2.186 1.539 -1.106) 2.893 17.395 ( -0.057 0.051 0.193) 0.208 17.533 ( 3.932 2.116 1.085) 4.595 17.685 ( -0.013 -3.048 -1.162) 3.262 17.797 ( -1.784 1.128 -0.768) 2.246 18.028 ( 0.781 -0.883 -0.191) 1.194 18.062 ( 1.401 -3.689 1.423) 4.194 18.161 ( 1.466 -0.832 0.722) 1.834 18.313 ( -1.718 0.209 -2.162) 2.769 18.462 ( -4.250 -3.063 -1.577) 5.471 18.659 ( 0.878 -4.546 0.040) 4.631 18.754 ( 1.744 -5.202 1.655) 5.731 18.983 ( 2.381 -4.234 1.563) 5.102 20.530 ( 0.119 -2.016 2.195) 2.982 20.590 ( -0.208 -1.874 -0.547) 1.963 20.684 ( 0.670 1.096 0.938) 1.591 20.754 ( -3.480 1.554 5.106) 6.371 21.464 ( -0.492 0.596 -0.336) 0.843 21.497 ( 0.640 0.366 0.281) 0.789 21.567 ( 0.053 1.106 0.195) 1.125 21.628 ( -3.927 3.960 -0.893) 5.648 27.370 ( -1.820 0.139 -0.423) 1.874 27.447 ( 1.431 -0.498 -0.204) 1.529 27.460 ( 0.673 0.626 -0.438) 1.018 27.504 ( 0.417 -1.783 1.837) 2.594 27.758 ( 0.111 0.499 -0.086) 0.518 27.780 ( -0.045 0.321 -1.147) 1.192 27.799 ( -0.166 0.862 0.719) 1.134 27.842 ( -0.339 1.701 0.004) 1.735 35.205 ( 1.185 0.165 -1.287) 1.757 35.541 ( -1.476 -3.275 0.824) 3.686 35.682 ( 1.960 2.181 -0.618) 2.997 35.760 ( 19.569 -6.993 -14.052) 25.086 35.940 ( 5.864 -9.708 14.885) 18.714 36.206 ( -0.734 3.775 1.000) 3.973 36.403 ( -2.319 -4.361 1.413) 5.137 37.112 ( -7.707 5.708 -4.885) 10.763 39.457 ( -1.179 1.671 -2.625) 3.328 39.609 ( 1.285 0.143 1.965) 2.352 40.032 ( 0.914 -3.639 1.920) 4.215 40.383 ( -1.847 2.541 1.133) 3.339 40.558 ( -4.098 7.397 -4.940) 9.794 41.060 ( 4.606 -13.576 0.085) 14.336 41.146 ( 6.098 -2.483 -6.351) 9.148 41.757 ( -1.669 5.946 -1.738) 6.416 ======================= Grid point 7 (6/80) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 15.751 9.649 11.939) 21.994 1.410 ( 15.656 13.257 7.446) 21.825 1.778 ( -3.779 4.207 -2.120) 6.040 2.237 ( 0.973 0.864 -1.293) 1.834 2.368 ( 1.196 4.271 0.974) 4.541 2.392 ( -7.193 5.123 -2.727) 9.242 2.571 ( -1.922 -0.800 -0.131) 2.086 2.683 ( -0.655 5.871 1.271) 6.042 2.740 ( 2.290 15.770 -2.708) 16.163 2.834 ( -2.438 0.189 -1.611) 2.928 2.927 ( -1.517 -3.684 0.695) 4.044 3.027 ( 0.006 -0.866 2.347) 2.502 3.092 ( -1.062 6.380 0.348) 6.477 3.128 ( 2.336 0.767 -1.294) 2.779 3.181 ( 2.331 3.093 -0.774) 3.950 3.306 ( -1.485 0.832 -1.643) 2.366 3.439 ( 0.005 0.996 0.306) 1.042 3.460 ( -1.697 5.532 -0.363) 5.798 3.557 ( 0.405 3.738 1.715) 4.133 3.640 ( 0.610 -1.207 1.384) 1.935 3.789 ( 1.686 0.140 0.606) 1.797 3.917 ( 6.187 -3.898 1.785) 7.527 3.948 ( 3.912 4.201 -1.881) 6.041 4.071 ( -0.131 -4.821 0.696) 4.873 4.088 ( 0.090 -1.776 -0.816) 1.957 4.119 ( -0.470 3.292 0.631) 3.385 4.199 ( -0.917 1.540 1.842) 2.570 4.281 ( -2.621 4.550 -2.964) 6.030 4.356 ( -5.172 3.674 0.550) 6.367 4.476 ( 0.010 7.575 1.462) 7.715 4.583 ( -1.719 -0.029 -3.979) 4.335 4.719 ( 3.107 0.030 -0.817) 3.213 4.747 ( -1.840 0.687 -3.092) 3.663 4.766 ( -3.210 -0.267 1.032) 3.382 5.063 ( 0.811 2.475 -0.294) 2.621 5.223 ( -4.134 1.000 -2.092) 4.739 5.256 ( 3.709 -3.022 0.483) 4.808 5.332 ( 0.311 -1.097 2.754) 2.980 5.432 ( -0.056 -2.806 1.759) 3.312 5.460 ( 2.799 -9.425 -0.726) 9.858 5.547 ( -3.118 -4.169 0.052) 5.206 5.619 ( -2.507 -1.937 -0.758) 3.258 5.716 ( -1.026 -0.771 0.261) 1.310 5.838 ( -0.282 1.447 -0.783) 1.670 5.909 ( -1.245 -4.718 -1.153) 5.014 5.992 ( 0.200 -3.461 0.978) 3.602 6.093 ( 3.105 -2.459 -3.459) 5.259 6.108 ( 1.780 -0.063 -1.351) 2.235 6.137 ( -4.309 -2.046 3.719) 6.049 6.230 ( 2.527 -0.642 4.983) 5.624 6.320 ( -0.862 6.423 -0.483) 6.498 6.397 ( -3.026 0.303 -0.947) 3.185 6.487 ( 0.190 6.156 -4.052) 7.372 6.633 ( 3.995 2.375 0.902) 4.734 6.739 ( -5.047 0.196 3.517) 6.155 6.808 ( 3.491 4.936 1.869) 6.328 6.884 ( 5.089 -1.770 1.345) 5.553 6.954 ( 1.479 5.968 -2.431) 6.612 6.994 ( -1.758 3.843 -0.422) 4.247 7.058 ( 5.511 -0.825 -1.421) 5.751 7.101 ( 3.178 -1.191 0.536) 3.436 7.151 ( 1.992 4.894 3.833) 6.528 7.187 ( -0.328 -1.680 -0.101) 1.714 7.248 ( 0.311 0.712 -0.286) 0.828 7.279 ( -0.299 5.396 1.509) 5.611 7.327 ( -4.419 -0.816 0.927) 4.588 7.385 ( -0.790 -1.819 -1.202) 2.319 7.418 ( -1.878 1.125 -2.333) 3.199 7.560 ( -0.558 -1.988 2.874) 3.539 7.585 ( 2.233 0.742 -4.050) 4.683 7.738 ( -1.616 -2.235 2.401) 3.657 7.744 ( -1.463 -2.796 1.504) 3.496 7.759 ( -1.347 -0.092 -0.833) 1.586 7.902 ( 1.495 -0.777 2.611) 3.107 7.972 ( 0.571 0.007 -2.009) 2.089 8.009 ( -0.177 0.665 -3.872) 3.933 8.066 ( 0.834 1.521 2.923) 3.399 8.170 ( -3.991 -1.279 -1.838) 4.576 8.260 ( 1.818 1.609 -0.658) 2.515 8.301 ( -0.936 0.387 -0.013) 1.013 8.423 ( -0.728 3.444 -1.999) 4.048 8.499 ( 6.162 -1.992 3.843) 7.530 8.650 ( -2.102 -6.147 -4.523) 7.916 8.714 ( -0.095 8.003 4.565) 9.213 8.762 ( -1.143 -4.005 -0.692) 4.222 8.866 ( -2.726 1.359 -0.228) 3.054 9.088 ( 0.663 5.975 3.266) 6.841 9.135 ( 0.991 -2.863 -2.375) 3.850 9.310 ( -2.191 -5.795 -1.149) 6.301 9.624 ( -0.798 -1.327 0.511) 1.631 9.671 ( -0.844 0.851 -0.096) 1.203 10.010 ( -0.939 4.562 -1.340) 4.847 10.077 ( 1.330 0.560 -1.545) 2.115 10.520 ( 3.259 -2.612 1.894) 4.585 10.667 ( 0.097 -2.552 1.354) 2.890 10.914 ( -1.287 -0.497 -1.409) 1.972 11.170 ( 2.488 -8.415 -0.303) 8.780 11.723 ( -1.058 0.790 0.111) 1.326 12.015 ( -2.718 17.718 -2.894) 18.157 12.278 ( 1.330 -0.670 -4.186) 4.443 12.707 ( -0.183 -1.442 -0.649) 1.592 12.917 ( -1.553 -7.038 2.550) 7.646 12.968 ( -1.005 2.743 2.119) 3.609 13.555 ( -0.349 0.269 -0.319) 0.544 15.326 ( -2.102 14.011 -0.615) 14.181 15.774 ( -2.383 -5.118 2.005) 5.991 16.262 ( -0.159 -0.283 -0.709) 0.780 16.291 ( 0.167 0.675 -0.219) 0.729 16.956 ( -1.191 -2.708 -0.462) 2.994 17.047 ( 0.315 -2.771 -0.071) 2.790 17.163 ( -1.673 4.912 0.467) 5.210 17.401 ( 0.362 -1.686 0.172) 1.733 17.419 ( 2.519 1.741 -0.444) 3.095 17.606 ( 1.687 -0.834 0.866) 2.071 17.664 ( -0.687 -0.350 -0.091) 0.776 17.753 ( -1.448 0.502 -0.442) 1.595 18.044 ( 0.787 -0.430 -0.023) 0.897 18.077 ( -0.411 -2.203 0.136) 2.245 18.198 ( 1.417 -0.199 1.076) 1.791 18.264 ( -0.910 -0.889 -1.929) 2.311 18.379 ( -2.519 -3.438 -0.428) 4.284 18.682 ( 0.793 -5.237 0.309) 5.306 18.801 ( 1.150 -6.020 0.795) 6.180 19.044 ( 1.685 -5.219 0.866) 5.552 20.549 ( 0.020 -1.985 1.164) 2.302 20.579 ( -0.139 -2.816 -0.648) 2.893 20.702 ( 0.325 1.733 0.490) 1.830 20.748 ( -1.120 1.947 2.078) 3.060 21.455 ( -0.154 0.673 -0.139) 0.704 21.508 ( 0.234 0.364 0.117) 0.448 21.567 ( -0.145 2.246 0.050) 2.251 21.586 ( -0.614 1.502 -0.089) 1.625 27.339 ( -0.817 0.481 -0.257) 0.983 27.463 ( 0.480 -0.295 -0.214) 0.603 27.470 ( 0.620 0.220 -0.236) 0.699 27.514 ( -0.351 -1.508 0.742) 1.717 27.760 ( 0.178 0.367 -0.069) 0.414 27.769 ( -0.176 -0.193 -0.450) 0.520 27.803 ( 0.006 1.407 0.384) 1.459 27.833 ( -0.403 1.980 -0.115) 2.024 35.230 ( 1.760 0.699 -0.797) 2.055 35.516 ( -1.373 -4.743 0.472) 4.960 35.707 ( 0.886 3.561 -0.247) 3.678 35.837 ( 2.937 1.941 -3.496) 4.962 36.150 ( 4.343 -6.679 1.772) 8.162 36.206 ( -0.336 1.749 0.872) 1.983 36.374 ( -1.879 -11.575 1.175) 11.785 36.980 ( -2.324 9.028 -1.817) 9.497 39.419 ( -0.494 1.825 -1.172) 2.224 39.643 ( 0.505 0.011 0.861) 0.998 40.132 ( 4.045 -6.522 4.619) 8.957 40.398 ( -0.937 4.616 -0.590) 4.747 40.426 ( -1.926 -2.037 -4.007) 4.890 41.086 ( -1.363 -8.386 2.750) 8.930 41.183 ( 3.430 -2.530 -5.055) 6.613 41.710 ( -1.092 8.210 -1.017) 8.345 ======================= Grid point 10 (7/80) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 26.228 0.000) 26.228 1.200 ( 0.000 28.126 0.000) 28.126 2.172 ( 0.000 37.898 0.000) 37.898 2.250 ( 0.000 3.902 0.000) 3.902 2.432 ( 0.000 5.620 0.000) 5.620 2.686 ( 0.000 1.837 0.000) 1.837 2.714 ( 0.000 1.637 0.000) 1.637 2.814 ( 0.000 -5.621 0.000) 5.621 2.838 ( 0.000 5.467 0.000) 5.467 2.982 ( 0.000 4.752 0.000) 4.752 3.021 ( 0.000 -0.817 0.000) 0.817 3.047 ( 0.000 -0.450 0.000) 0.450 3.090 ( 0.000 -2.159 0.000) 2.159 3.171 ( 0.000 -1.756 0.000) 1.756 3.223 ( 0.000 6.635 0.000) 6.635 3.339 ( 0.000 -0.211 0.000) 0.211 3.461 ( 0.000 3.990 0.000) 3.990 3.554 ( 0.000 8.370 0.000) 8.370 3.573 ( 0.000 -0.299 0.000) 0.299 3.665 ( 0.000 4.607 0.000) 4.607 3.722 ( 0.000 7.712 0.000) 7.712 3.794 ( 0.000 4.623 0.000) 4.623 3.912 ( 0.000 -1.029 0.000) 1.029 3.953 ( 0.000 -0.849 0.000) 0.849 4.121 ( 0.000 -0.448 0.000) 0.448 4.174 ( 0.000 -0.110 0.000) 0.110 4.234 ( 0.000 -2.033 0.000) 2.033 4.387 ( 0.000 3.961 0.000) 3.961 4.430 ( 0.000 -2.736 0.000) 2.736 4.526 ( 0.000 0.995 0.000) 0.995 4.676 ( 0.000 -2.357 0.000) 2.357 4.785 ( 0.000 9.140 0.000) 9.140 4.835 ( 0.000 -4.509 0.000) 4.509 4.990 ( 0.000 7.578 0.000) 7.578 4.998 ( 0.000 -3.363 0.000) 3.363 5.089 ( 0.000 2.364 0.000) 2.364 5.128 ( 0.000 -9.900 0.000) 9.900 5.312 ( 0.000 -6.775 0.000) 6.775 5.418 ( 0.000 -4.749 0.000) 4.749 5.484 ( 0.000 -0.457 0.000) 0.457 5.519 ( 0.000 6.574 0.000) 6.574 5.610 ( 0.000 -8.981 0.000) 8.981 5.754 ( 0.000 -7.967 0.000) 7.967 5.821 ( 0.000 -1.553 0.000) 1.553 5.945 ( 0.000 1.560 0.000) 1.560 5.954 ( 0.000 -4.780 0.000) 4.780 6.071 ( 0.000 -3.097 0.000) 3.097 6.104 ( 0.000 6.765 0.000) 6.765 6.134 ( 0.000 -4.701 0.000) 4.701 6.237 ( 0.000 5.966 0.000) 5.966 6.482 ( 0.000 1.013 0.000) 1.013 6.490 ( 0.000 4.795 0.000) 4.795 6.523 ( 0.000 7.416 0.000) 7.416 6.652 ( 0.000 -4.513 0.000) 4.513 6.691 ( 0.000 -2.213 0.000) 2.213 6.727 ( 0.000 0.332 0.000) 0.332 6.759 ( 0.000 -3.812 0.000) 3.812 6.855 ( 0.000 8.823 0.000) 8.823 6.913 ( 0.000 8.051 0.000) 8.051 6.953 ( 0.000 -1.523 0.000) 1.523 7.002 ( 0.000 -1.178 0.000) 1.178 7.051 ( 0.000 -4.962 0.000) 4.962 7.155 ( 0.000 2.490 0.000) 2.490 7.197 ( 0.000 7.270 0.000) 7.270 7.349 ( 0.000 -0.707 0.000) 0.707 7.368 ( 0.000 -0.713 0.000) 0.713 7.427 ( 0.000 -6.102 0.000) 6.102 7.496 ( 0.000 2.329 0.000) 2.329 7.630 ( 0.000 2.316 0.000) 2.316 7.662 ( 0.000 -4.545 0.000) 4.545 7.739 ( 0.000 -0.339 0.000) 0.339 7.750 ( 0.000 2.577 0.000) 2.577 7.782 ( 0.000 -0.244 0.000) 0.244 7.862 ( 0.000 -1.226 0.000) 1.226 7.920 ( 0.000 -2.453 0.000) 2.453 7.995 ( 0.000 5.081 0.000) 5.081 8.058 ( 0.000 0.178 0.000) 0.178 8.142 ( 0.000 -1.699 0.000) 1.699 8.205 ( 0.000 -6.873 0.000) 6.873 8.338 ( 0.000 -0.695 0.000) 0.695 8.379 ( 0.000 -1.360 0.000) 1.360 8.422 ( 0.000 -11.862 0.000) 11.862 8.595 ( 0.000 3.678 0.000) 3.678 8.757 ( 0.000 7.019 0.000) 7.019 8.796 ( 0.000 -2.037 0.000) 2.037 8.860 ( 0.000 -3.482 0.000) 3.482 9.039 ( 0.000 1.851 0.000) 1.851 9.313 ( 0.000 -0.920 0.000) 0.920 9.351 ( 0.000 8.647 0.000) 8.647 9.625 ( 0.000 -2.902 0.000) 2.902 9.681 ( 0.000 -1.002 0.000) 1.002 9.868 ( 0.000 0.053 0.000) 0.053 10.516 ( 0.000 1.891 0.000) 1.891 10.549 ( 0.000 -3.368 0.000) 3.368 10.620 ( 0.000 4.819 0.000) 4.819 10.747 ( 0.000 3.539 0.000) 3.539 11.073 ( 0.000 4.150 0.000) 4.150 11.771 ( 0.000 -2.124 0.000) 2.124 12.272 ( 0.000 0.874 0.000) 0.874 12.609 ( 0.000 -1.382 0.000) 1.382 12.655 ( 0.000 -1.468 0.000) 1.468 12.712 ( 0.000 -4.266 0.000) 4.266 13.058 ( 0.000 5.871 0.000) 5.871 13.546 ( 0.000 -2.800 0.000) 2.800 15.504 ( 0.000 -0.556 0.000) 0.556 15.788 ( 0.000 -5.164 0.000) 5.164 16.300 ( 0.000 1.089 0.000) 1.089 16.381 ( 0.000 2.323 0.000) 2.323 16.997 ( 0.000 -0.953 0.000) 0.953 17.013 ( 0.000 -0.762 0.000) 0.762 17.229 ( 0.000 1.478 0.000) 1.478 17.408 ( 0.000 2.065 0.000) 2.065 17.417 ( 0.000 0.577 0.000) 0.577 17.581 ( 0.000 -4.603 0.000) 4.603 17.584 ( 0.000 4.167 0.000) 4.167 17.826 ( 0.000 -1.960 0.000) 1.960 17.989 ( 0.000 -2.169 0.000) 2.169 17.994 ( 0.000 0.349 0.000) 0.349 18.093 ( 0.000 -3.868 0.000) 3.868 18.322 ( 0.000 -1.988 0.000) 1.988 18.454 ( 0.000 -3.125 0.000) 3.125 18.569 ( 0.000 -1.946 0.000) 1.946 18.577 ( 0.000 -8.416 0.000) 8.416 18.886 ( 0.000 -4.678 0.000) 4.678 20.511 ( 0.000 0.247 0.000) 0.247 20.570 ( 0.000 -1.325 0.000) 1.325 20.672 ( 0.000 -0.114 0.000) 0.114 20.745 ( 0.000 -1.631 0.000) 1.631 21.490 ( 0.000 0.575 0.000) 0.575 21.495 ( 0.000 0.791 0.000) 0.791 21.592 ( 0.000 1.572 0.000) 1.572 21.712 ( 0.000 -0.783 0.000) 0.783 27.395 ( 0.000 -0.164 0.000) 0.164 27.419 ( 0.000 -0.306 0.000) 0.306 27.471 ( 0.000 0.246 0.000) 0.246 27.477 ( 0.000 0.882 0.000) 0.882 27.774 ( 0.000 1.029 0.000) 1.029 27.804 ( 0.000 0.590 0.000) 0.590 27.818 ( 0.000 1.729 0.000) 1.729 27.877 ( 0.000 1.358 0.000) 1.358 35.298 ( 0.000 1.038 0.000) 1.038 35.306 ( 0.000 -0.793 0.000) 0.793 35.534 ( 0.000 0.817 0.000) 0.817 35.688 ( 0.000 1.134 0.000) 1.134 35.908 ( 0.000 2.723 0.000) 2.723 36.322 ( 0.000 -6.518 0.000) 6.518 36.334 ( 0.000 7.812 0.000) 7.812 37.121 ( 0.000 -8.256 0.000) 8.256 39.534 ( 0.000 2.292 0.000) 2.292 39.581 ( 0.000 0.349 0.000) 0.349 39.917 ( 0.000 -3.903 0.000) 3.903 40.532 ( 0.000 -18.267 0.000) 18.267 40.577 ( 0.000 5.822 0.000) 5.822 41.018 ( 0.000 -3.571 0.000) 3.571 41.019 ( 0.000 16.167 0.000) 16.167 41.823 ( 0.000 -0.943 0.000) 0.943 ======================= Grid point 11 (8/80) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 7.197 19.719 11.049) 23.722 1.356 ( 12.809 21.743 3.607) 25.492 2.246 ( 3.118 12.909 2.212) 13.463 2.307 ( 3.406 22.505 1.592) 22.817 2.425 ( 0.807 7.369 -3.366) 8.141 2.616 ( -6.389 -3.228 -2.348) 7.533 2.663 ( -5.741 3.701 1.334) 6.960 2.740 ( -0.025 -3.732 -2.733) 4.626 2.835 ( 0.670 5.671 -3.536) 6.717 2.925 ( -6.353 -2.390 0.653) 6.819 3.008 ( -2.163 -0.295 0.910) 2.366 3.038 ( -0.039 6.886 1.363) 7.019 3.096 ( 1.692 2.342 1.416) 3.218 3.215 ( 2.246 2.216 1.056) 3.327 3.240 ( -0.203 3.355 1.914) 3.868 3.352 ( 1.710 -1.225 -0.692) 2.214 3.479 ( -0.778 8.352 -2.339) 8.708 3.571 ( -0.143 1.895 0.245) 1.917 3.596 ( 3.353 0.320 2.472) 4.178 3.635 ( -0.197 6.045 0.815) 6.103 3.769 ( 0.164 1.080 1.207) 1.627 3.802 ( 1.933 6.412 0.732) 6.737 3.914 ( 6.113 -0.486 -5.258) 8.078 3.971 ( 1.547 -0.617 2.184) 2.747 4.091 ( -4.807 -0.162 -0.260) 4.817 4.199 ( 1.917 -0.315 3.618) 4.107 4.247 ( -1.244 0.210 0.366) 1.314 4.383 ( -0.890 0.778 3.505) 3.699 4.455 ( 1.397 4.675 -3.083) 5.772 4.557 ( 2.888 0.378 0.140) 2.916 4.643 ( 0.160 -2.208 -5.277) 5.722 4.766 ( -0.426 6.577 0.199) 6.594 4.808 ( -3.315 0.516 0.207) 3.362 4.909 ( -4.014 3.750 -2.976) 6.248 5.063 ( 1.685 -1.761 4.376) 5.009 5.081 ( -0.384 -0.379 -0.098) 0.548 5.179 ( 3.911 -9.434 0.850) 10.248 5.283 ( -0.912 -4.052 -0.211) 4.159 5.390 ( -2.427 -2.341 -0.058) 3.372 5.439 ( -3.881 1.087 -2.638) 4.817 5.482 ( -0.928 -1.460 -1.709) 2.432 5.625 ( -1.642 -6.000 -2.923) 6.873 5.703 ( -2.099 -3.361 -0.377) 3.980 5.816 ( 0.217 -5.405 -1.904) 5.734 5.890 ( -4.984 -6.829 1.329) 8.558 5.966 ( 2.479 4.153 -5.328) 7.195 6.068 ( -0.175 0.408 1.650) 1.709 6.116 ( 0.600 3.572 1.655) 3.982 6.132 ( -0.554 0.052 1.916) 1.995 6.206 ( -0.629 3.007 1.416) 3.383 6.435 ( -2.681 0.290 2.325) 3.561 6.498 ( 0.237 6.407 -3.723) 7.414 6.568 ( -0.106 4.159 -0.419) 4.182 6.643 ( -0.343 0.312 1.788) 1.847 6.690 ( 3.205 -3.875 0.822) 5.095 6.769 ( 0.907 -3.515 3.111) 4.781 6.845 ( 1.019 -3.533 -1.750) 4.073 6.883 ( 4.234 8.258 2.718) 9.670 6.945 ( 4.336 4.636 4.376) 7.710 6.984 ( 3.396 0.059 0.487) 3.431 7.047 ( 3.413 -2.275 0.437) 4.125 7.151 ( 0.658 0.151 -1.768) 1.892 7.161 ( 4.437 -0.918 5.494) 7.121 7.200 ( -0.354 3.613 2.406) 4.355 7.345 ( -1.035 0.258 -0.554) 1.202 7.371 ( -0.397 -0.252 -1.033) 1.135 7.468 ( 1.777 0.521 0.379) 1.891 7.542 ( 2.337 -0.219 -1.895) 3.016 7.557 ( -0.219 3.039 -3.560) 4.686 7.610 ( -3.746 -1.877 -1.019) 4.313 7.667 ( -1.793 2.659 -1.238) 3.438 7.736 ( -3.462 -1.285 1.311) 3.919 7.772 ( -0.705 0.786 1.673) 1.978 7.912 ( 0.131 4.695 3.925) 6.121 7.944 ( 3.141 -3.182 0.523) 4.501 8.005 ( 3.610 -0.670 0.383) 3.692 8.044 ( -3.581 -1.119 -5.089) 6.323 8.173 ( -2.623 -3.350 2.911) 5.155 8.200 ( 3.581 -4.041 -2.056) 5.778 8.340 ( 2.200 -1.489 -2.831) 3.882 8.414 ( 2.562 -1.309 3.236) 4.330 8.491 ( 4.296 -6.255 -2.790) 8.085 8.561 ( -1.725 0.543 1.440) 2.312 8.711 ( -1.696 0.210 -3.629) 4.011 8.795 ( -1.201 -0.289 1.356) 1.834 8.859 ( -1.364 -0.578 2.968) 3.317 9.010 ( -3.043 1.089 1.003) 3.384 9.284 ( -2.527 0.810 0.993) 2.833 9.378 ( 0.285 6.651 -1.233) 6.771 9.614 ( -1.200 -1.768 1.303) 2.503 9.675 ( -0.592 -0.814 -0.404) 1.084 9.889 ( 2.391 -2.978 -0.148) 3.822 10.390 ( -8.401 6.632 -6.313) 12.427 10.519 ( 0.068 5.033 -2.395) 5.574 10.579 ( 0.611 -1.884 2.190) 2.953 10.859 ( 3.018 -1.782 2.505) 4.308 11.091 ( 1.524 3.785 0.430) 4.103 11.752 ( -1.461 -1.945 -0.614) 2.509 12.260 ( -3.948 1.210 5.497) 6.875 12.453 ( -0.668 5.139 -18.399) 19.115 12.663 ( 0.949 -3.598 -2.326) 4.389 12.746 ( -3.634 -6.895 9.058) 11.950 13.056 ( -0.586 5.699 0.898) 5.799 13.545 ( 0.056 -2.543 -0.442) 2.581 15.522 ( 1.493 1.037 0.032) 1.818 15.748 ( -4.589 -3.776 1.489) 6.126 16.287 ( -0.438 0.943 -1.549) 1.866 16.360 ( -1.173 3.167 -1.235) 3.596 16.964 ( -2.625 -0.809 -0.165) 2.752 17.002 ( 0.055 -1.233 -1.484) 1.930 17.251 ( 0.309 2.316 2.185) 3.199 17.381 ( -0.351 0.728 -1.280) 1.514 17.436 ( 0.255 2.598 0.286) 2.627 17.549 ( 0.327 -1.560 0.150) 1.601 17.629 ( 1.728 -1.272 -0.346) 2.173 17.802 ( -2.483 -1.434 0.136) 2.870 18.003 ( 1.512 -1.825 -0.323) 2.392 18.019 ( 1.609 -0.035 0.806) 1.800 18.104 ( 1.469 -4.516 -0.359) 4.762 18.300 ( -2.202 -1.767 -0.380) 2.849 18.394 ( -3.910 -2.740 -1.567) 5.025 18.584 ( 0.899 -2.380 1.195) 2.810 18.619 ( 2.156 -6.837 0.796) 7.213 18.884 ( 0.510 -5.238 0.630) 5.300 20.515 ( 0.303 -0.011 0.193) 0.360 20.558 ( -0.604 -1.252 -0.635) 1.528 20.691 ( 1.067 -0.276 0.846) 1.390 20.749 ( -0.912 -1.402 2.287) 2.833 21.482 ( -0.375 1.021 -0.056) 1.089 21.507 ( 0.536 0.475 0.257) 0.761 21.594 ( 0.117 1.492 0.156) 1.504 21.673 ( -2.720 0.820 -0.530) 2.890 27.375 ( -1.281 0.368 -0.288) 1.364 27.434 ( 1.033 -0.698 -0.121) 1.253 27.472 ( 0.483 0.408 -0.480) 0.794 27.486 ( 0.015 -0.097 0.851) 0.857 27.773 ( -0.047 0.921 -0.157) 0.936 27.790 ( -0.681 0.723 -0.465) 1.097 27.828 ( 0.317 1.653 0.566) 1.776 27.876 ( -0.203 1.396 0.055) 1.412 35.218 ( 0.529 1.208 -0.838) 1.563 35.478 ( 0.070 -3.579 -0.235) 3.588 35.624 ( 15.566 -2.228 -1.193) 15.770 35.725 ( 3.624 1.683 -0.498) 4.027 35.924 ( -0.323 1.779 3.945) 4.339 36.289 ( -3.856 -6.785 0.581) 7.826 36.324 ( -1.473 7.507 1.068) 7.724 37.088 ( -2.129 -5.658 -1.408) 6.207 39.502 ( -0.934 2.582 -2.366) 3.624 39.612 ( 1.369 0.098 1.246) 1.854 39.920 ( 0.796 -4.675 0.478) 4.766 40.339 ( -7.453 -8.535 -2.667) 11.640 40.734 ( 2.295 3.474 0.094) 4.164 40.893 ( -1.690 2.179 1.565) 3.171 41.144 ( 4.921 3.325 -1.923) 6.243 41.812 ( -0.772 -0.668 -0.529) 1.150 ======================= Grid point 12 (9/80) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 6.671 4.308 6.497) 10.261 1.648 ( 9.579 14.000 4.134) 17.460 2.213 ( -5.945 26.755 -4.194) 27.727 2.294 ( 0.542 6.554 -0.333) 6.585 2.474 ( -1.027 2.760 3.681) 4.714 2.484 ( -1.150 1.040 -3.828) 4.130 2.568 ( -3.370 3.536 0.138) 4.887 2.749 ( 2.960 -0.786 -2.207) 3.775 2.799 ( -3.667 4.549 1.380) 6.003 2.824 ( -2.052 -4.096 -1.822) 4.930 2.991 ( -0.228 -2.820 0.427) 2.861 3.100 ( 3.723 8.717 -0.113) 9.479 3.132 ( -1.869 3.684 4.230) 5.912 3.260 ( 0.032 3.540 1.402) 3.807 3.263 ( 3.027 6.752 1.073) 7.477 3.329 ( -0.669 0.315 -3.797) 3.868 3.442 ( -2.029 2.242 -0.815) 3.132 3.574 ( 0.224 2.717 -0.114) 2.729 3.617 ( -1.156 -0.030 0.311) 1.198 3.731 ( 4.827 8.882 4.184) 10.941 3.756 ( 1.321 1.669 -0.300) 2.149 3.875 ( 2.737 1.988 -1.198) 3.589 4.024 ( 1.407 -4.439 -1.472) 4.884 4.026 ( 0.156 -1.003 4.244) 4.364 4.070 ( 6.098 5.321 1.267) 8.192 4.157 ( -3.242 0.150 -3.376) 4.683 4.239 ( -1.390 3.040 1.669) 3.736 4.383 ( -1.792 6.173 -1.336) 6.565 4.449 ( 0.532 2.743 3.997) 4.877 4.561 ( -2.445 0.605 -7.212) 7.639 4.644 ( 3.729 3.971 2.250) 5.894 4.726 ( -3.140 5.456 0.388) 6.307 4.782 ( -1.258 1.218 -0.398) 1.796 4.796 ( -2.329 3.268 -2.457) 4.706 5.059 ( -0.646 -3.363 0.924) 3.547 5.193 ( 4.934 -4.052 2.969) 7.041 5.239 ( 1.649 -7.866 0.528) 8.054 5.247 ( -1.098 -0.098 -3.565) 3.731 5.352 ( -3.417 -0.695 -0.230) 3.494 5.381 ( 0.932 -1.825 1.223) 2.386 5.447 ( -0.477 -3.097 -1.125) 3.329 5.515 ( -4.261 -4.873 -0.970) 6.546 5.688 ( 1.556 -8.196 -2.513) 8.712 5.782 ( -5.508 -1.784 0.656) 5.827 5.805 ( -0.679 -4.918 0.053) 4.965 5.989 ( 4.598 3.531 -4.878) 7.576 6.046 ( -3.685 0.953 3.147) 4.939 6.133 ( -0.038 1.559 -0.243) 1.578 6.171 ( 1.334 2.637 0.529) 3.003 6.252 ( 1.355 2.037 5.109) 5.665 6.383 ( -2.821 -0.622 -2.100) 3.571 6.468 ( -0.028 7.602 -1.300) 7.712 6.595 ( 2.241 2.126 1.999) 3.679 6.660 ( 0.771 0.822 1.046) 1.538 6.723 ( -3.700 -2.227 -0.987) 4.430 6.765 ( 2.483 -5.337 0.643) 5.921 6.967 ( 8.529 -2.690 0.314) 8.948 6.988 ( 3.286 7.137 1.862) 8.075 7.031 ( 0.551 -2.454 1.640) 3.003 7.061 ( 2.362 -1.884 0.846) 3.137 7.117 ( 1.610 3.309 0.807) 3.767 7.136 ( 0.795 0.150 -1.670) 1.856 7.191 ( -0.608 -2.867 0.585) 2.988 7.235 ( -7.306 1.309 -0.162) 7.425 7.331 ( 4.004 1.491 7.067) 8.258 7.370 ( 0.762 1.952 -0.099) 2.098 7.417 ( -2.434 5.934 -3.508) 7.310 7.467 ( -2.092 1.249 -3.807) 4.520 7.515 ( -3.416 0.077 -0.437) 3.444 7.644 ( 4.931 3.771 -3.114) 6.945 7.671 ( 0.588 -0.703 2.722) 2.872 7.741 ( -2.709 0.924 -1.105) 3.069 7.799 ( 5.142 1.172 2.118) 5.683 7.894 ( -3.325 -0.138 -1.120) 3.511 7.938 ( -1.654 -2.142 -3.707) 4.590 8.031 ( -0.164 1.115 3.423) 3.604 8.065 ( 3.783 -0.877 4.484) 5.932 8.157 ( -0.149 -0.276 0.123) 0.337 8.255 ( 4.393 -1.265 -1.944) 4.968 8.333 ( -1.659 0.718 -0.917) 2.027 8.433 ( -4.330 -2.768 -1.292) 5.299 8.483 ( 0.516 -1.156 2.924) 3.186 8.547 ( -0.836 -2.686 -4.608) 5.399 8.669 ( -0.080 -4.535 -0.837) 4.612 8.844 ( 4.269 -5.352 1.293) 6.967 8.880 ( 0.792 6.098 2.347) 6.582 8.966 ( -2.332 -1.592 1.711) 3.302 9.191 ( -5.624 -3.009 -2.909) 7.011 9.361 ( -0.010 10.303 0.332) 10.308 9.586 ( -1.454 -1.403 -0.719) 2.145 9.672 ( -0.404 -0.783 1.183) 1.475 9.942 ( 2.220 -7.239 0.037) 7.572 10.241 ( -2.190 10.035 -2.464) 10.563 10.518 ( 0.682 3.394 -0.418) 3.487 10.601 ( 0.030 -3.424 0.731) 3.502 10.899 ( 0.339 -1.103 0.795) 1.401 11.120 ( 0.849 1.962 -0.056) 2.138 11.720 ( -0.958 -1.845 -0.246) 2.093 12.246 ( -6.110 4.012 11.713) 13.806 12.297 ( 3.825 4.641 -17.213) 18.234 12.661 ( -0.182 -3.143 0.639) 3.213 12.750 ( -1.042 -8.334 1.514) 8.534 13.055 ( -0.354 5.500 0.566) 5.540 13.540 ( -0.064 -2.098 -0.264) 2.115 15.550 ( 1.259 5.554 0.046) 5.695 15.670 ( -3.487 -3.912 0.493) 5.264 16.264 ( -0.313 0.757 -0.949) 1.254 16.332 ( -0.440 3.109 -0.611) 3.199 16.920 ( -1.267 -0.797 -0.318) 1.530 16.994 ( 0.044 -2.144 -0.439) 2.189 17.260 ( -0.743 4.496 1.040) 4.674 17.373 ( 0.084 -0.549 -0.215) 0.596 17.457 ( 1.800 1.918 -0.615) 2.701 17.560 ( 0.010 -3.359 0.096) 3.360 17.657 ( 0.904 -0.989 0.685) 1.505 17.755 ( -1.842 -0.833 0.004) 2.022 18.027 ( 1.131 -1.158 -0.025) 1.619 18.042 ( -0.035 -0.895 0.119) 0.904 18.149 ( 3.530 -4.526 -0.551) 5.766 18.233 ( -3.952 -2.698 -0.048) 4.786 18.324 ( -1.632 -0.377 -0.666) 1.803 18.607 ( 0.472 -1.646 0.468) 1.776 18.655 ( 0.869 -7.530 0.340) 7.588 18.915 ( 1.063 -6.793 0.791) 6.921 20.525 ( 0.376 -0.470 0.385) 0.715 20.541 ( -0.461 -1.087 -0.518) 1.289 20.715 ( 0.676 -0.319 0.261) 0.792 20.752 ( -0.648 -1.149 1.313) 1.861 21.477 ( -0.123 1.305 0.009) 1.311 21.516 ( 0.230 0.390 0.117) 0.468 21.601 ( 0.430 1.317 0.215) 1.402 21.627 ( -1.480 1.761 -0.315) 2.321 27.353 ( -0.585 0.874 -0.169) 1.065 27.448 ( 0.459 -0.971 -0.101) 1.078 27.479 ( 0.716 0.252 -0.588) 0.960 27.488 ( -0.572 -0.683 0.760) 1.171 27.771 ( 0.112 0.731 -0.231) 0.775 27.776 ( -0.454 0.708 -0.042) 0.842 27.837 ( 0.145 1.728 0.295) 1.759 27.871 ( -0.196 1.622 -0.040) 1.634 35.254 ( 2.627 1.636 -0.639) 3.160 35.441 ( -2.373 -2.604 0.513) 3.560 35.765 ( 1.950 2.022 -0.738) 2.904 35.863 ( 7.470 -0.335 -4.669) 8.816 36.002 ( 4.474 -4.642 6.094) 8.871 36.186 ( -6.995 -7.930 -0.045) 10.574 36.308 ( -0.791 7.203 0.546) 7.266 37.043 ( -0.933 -2.288 -0.765) 2.587 39.470 ( -0.375 3.037 -1.050) 3.235 39.640 ( 0.598 -0.292 0.378) 0.765 39.969 ( 2.350 -7.253 1.695) 7.811 40.211 ( -3.475 -11.765 -2.045) 12.437 40.680 ( -2.213 13.534 -1.451) 13.790 40.968 ( 2.043 -3.074 3.510) 5.094 41.170 ( 1.042 2.108 -2.733) 3.605 41.794 ( -0.439 -0.150 -0.314) 0.560 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 24.787 0.000) 24.787 1.739 ( 0.000 24.391 0.000) 24.391 2.343 ( 0.000 5.173 0.000) 5.173 2.344 ( 0.000 -3.266 0.000) 3.266 2.446 ( 0.000 -13.595 0.000) 13.595 2.659 ( 0.000 -9.149 0.000) 9.149 2.744 ( 0.000 1.329 0.000) 1.329 2.913 ( 0.000 -2.449 0.000) 2.449 2.979 ( 0.000 1.561 0.000) 1.561 2.998 ( 0.000 8.468 0.000) 8.468 3.090 ( 0.000 4.859 0.000) 4.859 3.108 ( 0.000 9.464 0.000) 9.464 3.170 ( 0.000 1.406 0.000) 1.406 3.247 ( 0.000 22.690 0.000) 22.690 3.293 ( 0.000 -0.566 0.000) 0.566 3.319 ( 0.000 -0.358 0.000) 0.358 3.502 ( 0.000 -3.687 0.000) 3.687 3.576 ( 0.000 3.396 0.000) 3.396 3.707 ( 0.000 6.912 0.000) 6.912 3.780 ( 0.000 6.054 0.000) 6.054 3.832 ( 0.000 -0.327 0.000) 0.327 3.842 ( 0.000 1.963 0.000) 1.963 3.963 ( 0.000 1.021 0.000) 1.021 3.966 ( 0.000 6.655 0.000) 6.655 4.036 ( 0.000 -4.374 0.000) 4.374 4.162 ( 0.000 -1.025 0.000) 1.025 4.221 ( 0.000 -1.596 0.000) 1.596 4.381 ( 0.000 -2.626 0.000) 2.626 4.423 ( 0.000 1.802 0.000) 1.802 4.581 ( 0.000 -7.360 0.000) 7.360 4.628 ( 0.000 5.360 0.000) 5.360 4.742 ( 0.000 -3.993 0.000) 3.993 4.893 ( 0.000 2.612 0.000) 2.612 4.946 ( 0.000 -1.746 0.000) 1.746 4.973 ( 0.000 -3.447 0.000) 3.447 5.123 ( 0.000 1.571 0.000) 1.571 5.158 ( 0.000 -7.909 0.000) 7.909 5.200 ( 0.000 9.657 0.000) 9.657 5.349 ( 0.000 2.550 0.000) 2.550 5.363 ( 0.000 -10.038 0.000) 10.038 5.509 ( 0.000 -5.332 0.000) 5.332 5.607 ( 0.000 -2.269 0.000) 2.269 5.697 ( 0.000 4.722 0.000) 4.722 5.766 ( 0.000 -10.793 0.000) 10.793 5.797 ( 0.000 2.667 0.000) 2.667 5.987 ( 0.000 2.166 0.000) 2.166 6.031 ( 0.000 -1.923 0.000) 1.923 6.077 ( 0.000 -2.763 0.000) 2.763 6.248 ( 0.000 7.302 0.000) 7.302 6.362 ( 0.000 5.989 0.000) 5.989 6.492 ( 0.000 -0.511 0.000) 0.511 6.540 ( 0.000 -5.903 0.000) 5.903 6.588 ( 0.000 3.807 0.000) 3.807 6.637 ( 0.000 -3.203 0.000) 3.203 6.657 ( 0.000 0.272 0.000) 0.272 6.673 ( 0.000 6.475 0.000) 6.475 6.759 ( 0.000 -1.448 0.000) 1.448 6.878 ( 0.000 -1.165 0.000) 1.165 6.913 ( 0.000 -6.307 0.000) 6.307 6.969 ( 0.000 0.193 0.000) 0.193 7.036 ( 0.000 3.643 0.000) 3.643 7.194 ( 0.000 13.456 0.000) 13.456 7.196 ( 0.000 -3.714 0.000) 3.714 7.265 ( 0.000 -3.289 0.000) 3.289 7.290 ( 0.000 1.672 0.000) 1.672 7.360 ( 0.000 -0.558 0.000) 0.558 7.372 ( 0.000 3.424 0.000) 3.424 7.547 ( 0.000 4.045 0.000) 4.045 7.615 ( 0.000 -1.326 0.000) 1.326 7.691 ( 0.000 -1.160 0.000) 1.160 7.706 ( 0.000 -4.230 0.000) 4.230 7.741 ( 0.000 4.399 0.000) 4.399 7.812 ( 0.000 3.155 0.000) 3.155 7.837 ( 0.000 -3.976 0.000) 3.976 7.886 ( 0.000 -1.785 0.000) 1.785 8.015 ( 0.000 -7.809 0.000) 7.809 8.046 ( 0.000 0.085 0.000) 0.085 8.086 ( 0.000 0.798 0.000) 0.798 8.134 ( 0.000 1.387 0.000) 1.387 8.277 ( 0.000 -1.931 0.000) 1.931 8.280 ( 0.000 -6.853 0.000) 6.853 8.327 ( 0.000 -1.483 0.000) 1.483 8.656 ( 0.000 1.988 0.000) 1.988 8.764 ( 0.000 -3.216 0.000) 3.216 8.804 ( 0.000 2.957 0.000) 2.957 8.881 ( 0.000 2.066 0.000) 2.066 9.097 ( 0.000 3.498 0.000) 3.498 9.258 ( 0.000 -4.069 0.000) 4.069 9.485 ( 0.000 3.560 0.000) 3.560 9.561 ( 0.000 -2.770 0.000) 2.770 9.703 ( 0.000 3.950 0.000) 3.950 9.874 ( 0.000 -0.879 0.000) 0.879 10.497 ( 0.000 -1.524 0.000) 1.524 10.506 ( 0.000 -1.335 0.000) 1.335 10.720 ( 0.000 4.122 0.000) 4.122 10.796 ( 0.000 0.976 0.000) 0.976 11.224 ( 0.000 10.253 0.000) 10.253 11.666 ( 0.000 -8.230 0.000) 8.230 12.334 ( 0.000 5.050 0.000) 5.050 12.568 ( 0.000 -3.613 0.000) 3.613 12.625 ( 0.000 -1.305 0.000) 1.305 12.627 ( 0.000 -2.903 0.000) 2.903 13.187 ( 0.000 6.723 0.000) 6.723 13.458 ( 0.000 -5.674 0.000) 5.674 15.515 ( 0.000 1.784 0.000) 1.784 15.677 ( 0.000 -5.460 0.000) 5.460 16.331 ( 0.000 1.921 0.000) 1.921 16.400 ( 0.000 -0.425 0.000) 0.425 16.990 ( 0.000 0.220 0.000) 0.220 17.006 ( 0.000 -0.165 0.000) 0.165 17.299 ( 0.000 5.343 0.000) 5.343 17.425 ( 0.000 0.324 0.000) 0.324 17.439 ( 0.000 0.788 0.000) 0.788 17.500 ( 0.000 -3.222 0.000) 3.222 17.640 ( 0.000 1.049 0.000) 1.049 17.731 ( 0.000 -6.248 0.000) 6.248 17.946 ( 0.000 -1.479 0.000) 1.479 17.998 ( 0.000 -3.365 0.000) 3.365 18.050 ( 0.000 3.453 0.000) 3.453 18.255 ( 0.000 -4.807 0.000) 4.807 18.405 ( 0.000 -1.516 0.000) 1.516 18.439 ( 0.000 -4.348 0.000) 4.348 18.584 ( 0.000 2.939 0.000) 2.939 18.780 ( 0.000 -5.546 0.000) 5.546 20.518 ( 0.000 0.442 0.000) 0.442 20.545 ( 0.000 -1.031 0.000) 1.031 20.670 ( 0.000 0.076 0.000) 0.076 20.710 ( 0.000 -1.724 0.000) 1.724 21.502 ( 0.000 0.527 0.000) 0.527 21.508 ( 0.000 0.370 0.000) 0.370 21.626 ( 0.000 1.731 0.000) 1.731 21.690 ( 0.000 -1.283 0.000) 1.283 27.396 ( 0.000 0.205 0.000) 0.205 27.411 ( 0.000 -0.417 0.000) 0.417 27.478 ( 0.000 0.399 0.000) 0.399 27.489 ( 0.000 0.181 0.000) 0.181 27.796 ( 0.000 1.037 0.000) 1.037 27.814 ( 0.000 0.298 0.000) 0.298 27.854 ( 0.000 1.733 0.000) 1.733 27.893 ( 0.000 0.157 0.000) 0.157 35.293 ( 0.000 -0.357 0.000) 0.357 35.303 ( 0.000 -0.398 0.000) 0.398 35.591 ( 0.000 4.266 0.000) 4.266 35.702 ( 0.000 0.002 0.000) 0.002 35.958 ( 0.000 2.532 0.000) 2.532 36.170 ( 0.000 -7.846 0.000) 7.846 36.518 ( 0.000 9.991 0.000) 9.991 36.937 ( 0.000 -9.739 0.000) 9.739 39.578 ( 0.000 1.767 0.000) 1.767 39.592 ( 0.000 0.693 0.000) 0.693 39.884 ( 0.000 0.829 0.000) 0.829 40.188 ( 0.000 -14.549 0.000) 14.549 40.704 ( 0.000 6.508 0.000) 6.508 40.939 ( 0.000 -4.476 0.000) 4.476 41.330 ( 0.000 14.015 0.000) 14.015 41.749 ( 0.000 -6.159 0.000) 6.159 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 0.569 20.902 3.412) 21.186 1.793 ( 5.420 20.422 1.778) 21.203 2.308 ( 1.014 1.295 1.254) 2.068 2.419 ( -2.545 -12.732 -2.380) 13.200 2.471 ( 5.946 1.648 0.200) 6.174 2.592 ( -4.381 -7.724 1.252) 8.968 2.711 ( -0.860 0.840 0.749) 1.416 2.847 ( -4.559 -3.654 -0.769) 5.892 2.931 ( -2.585 14.245 -2.575) 14.705 2.989 ( -2.774 3.913 0.115) 4.798 3.041 ( -6.052 9.942 -0.927) 11.676 3.161 ( 2.259 5.791 0.876) 6.278 3.199 ( 3.464 1.622 1.406) 4.075 3.254 ( 3.019 6.423 -0.374) 7.107 3.328 ( 0.624 5.014 1.175) 5.188 3.331 ( -0.105 -1.415 -0.092) 1.421 3.513 ( -1.352 -3.088 2.568) 4.238 3.602 ( 0.274 -1.178 -0.809) 1.455 3.661 ( -2.822 4.949 -1.334) 5.851 3.763 ( 0.494 5.888 0.364) 5.920 3.822 ( 2.993 6.811 -1.606) 7.611 3.880 ( 1.756 -1.222 4.948) 5.390 3.964 ( 1.784 0.587 -2.017) 2.756 3.978 ( 1.710 6.250 -2.909) 7.103 4.102 ( -1.683 1.193 2.413) 3.175 4.133 ( 1.945 -3.153 2.924) 4.720 4.256 ( 2.827 -1.325 1.129) 3.320 4.379 ( -1.233 -1.666 2.204) 3.025 4.525 ( 3.230 -2.359 0.409) 4.021 4.548 ( 2.710 2.092 0.240) 3.432 4.656 ( 2.367 3.069 -1.020) 4.008 4.740 ( -0.118 -2.089 0.605) 2.178 4.897 ( 0.678 2.151 -1.466) 2.690 4.934 ( -0.483 -1.480 -1.200) 1.966 5.017 ( 1.099 -3.040 2.893) 4.338 5.091 ( -4.107 1.804 1.362) 4.688 5.114 ( -4.047 0.352 -1.888) 4.479 5.205 ( 1.574 -3.763 3.354) 5.281 5.287 ( -0.717 -0.123 0.060) 0.730 5.410 ( 0.804 -3.112 -5.905) 6.724 5.488 ( 0.322 -3.485 -2.093) 4.078 5.557 ( -4.342 -2.271 -0.118) 4.901 5.606 ( -3.805 -2.897 -6.205) 7.834 5.720 ( -4.804 -6.885 0.225) 8.398 5.828 ( 2.951 4.928 -1.324) 5.895 6.015 ( 6.671 -0.009 -10.829) 12.718 6.086 ( 1.026 1.161 5.270) 5.493 6.112 ( 1.660 -0.645 6.681) 6.914 6.227 ( -3.250 5.175 2.110) 6.465 6.283 ( -3.450 4.198 0.471) 5.455 6.431 ( -4.912 -1.088 1.026) 5.134 6.535 ( 0.420 -3.384 2.626) 4.304 6.591 ( 0.488 -3.978 1.262) 4.202 6.619 ( -0.848 1.283 -3.484) 3.808 6.696 ( 0.842 2.225 2.083) 3.162 6.760 ( -0.132 2.581 -1.121) 2.817 6.813 ( 5.855 3.943 -0.707) 7.094 6.903 ( 2.433 -2.498 4.630) 5.796 6.962 ( -0.594 -2.522 2.494) 3.596 7.034 ( 6.731 -0.504 0.374) 6.760 7.081 ( 2.234 0.397 1.112) 2.526 7.117 ( -2.694 2.406 5.166) 6.303 7.196 ( 0.578 3.146 -1.103) 3.383 7.249 ( 0.573 0.171 -1.722) 1.823 7.334 ( 0.673 0.569 0.170) 0.898 7.391 ( 4.951 0.336 -0.990) 5.061 7.469 ( 4.012 0.544 -0.601) 4.093 7.515 ( -3.531 -4.006 -1.974) 5.693 7.585 ( 2.360 3.720 -0.033) 4.405 7.672 ( 0.961 3.105 -2.048) 3.842 7.703 ( -2.143 1.596 -0.249) 2.684 7.721 ( -1.046 1.440 0.628) 1.887 7.793 ( -0.339 0.844 1.433) 1.698 7.897 ( 0.586 -2.167 2.319) 3.227 7.965 ( 0.387 -1.610 0.804) 1.840 7.977 ( 1.229 0.195 1.530) 1.972 8.027 ( 1.498 -2.959 -1.558) 3.665 8.115 ( -0.327 -0.545 0.836) 1.050 8.143 ( 1.876 0.022 1.044) 2.147 8.245 ( -0.753 -6.736 3.493) 7.625 8.337 ( 2.734 -3.572 -4.203) 6.156 8.391 ( 7.187 -3.151 -2.809) 8.335 8.613 ( -4.308 2.337 0.358) 4.914 8.695 ( -3.203 -2.205 -1.972) 4.360 8.795 ( -2.217 3.497 -1.371) 4.361 8.894 ( 0.409 0.648 1.176) 1.403 9.057 ( -3.513 3.017 1.320) 4.815 9.224 ( -3.226 -4.726 0.526) 5.747 9.521 ( 1.199 4.579 0.275) 4.742 9.575 ( 0.907 -1.694 2.660) 3.281 9.682 ( -1.830 2.400 -0.940) 3.161 9.842 ( -1.866 -2.471 -2.394) 3.914 10.457 ( -2.561 1.592 -2.618) 3.993 10.510 ( 0.583 -1.969 0.601) 2.139 10.682 ( -1.444 6.521 -1.502) 6.846 10.829 ( 0.991 -1.554 2.157) 2.838 11.226 ( 0.219 9.284 -0.408) 9.296 11.651 ( -1.095 -8.060 -0.705) 8.165 12.321 ( -3.001 4.816 3.518) 6.677 12.519 ( -1.051 1.718 -11.934) 12.103 12.571 ( -2.066 -5.103 3.688) 6.626 12.635 ( -0.967 -4.039 -0.036) 4.153 13.185 ( -0.369 6.837 0.486) 6.864 13.461 ( 0.192 -5.608 -0.047) 5.612 15.534 ( 1.479 1.112 0.575) 1.937 15.662 ( -1.728 -4.441 0.398) 4.782 16.319 ( -0.505 2.137 -1.272) 2.538 16.393 ( -0.078 -0.073 -1.291) 1.296 16.962 ( -2.360 0.448 -0.154) 2.407 16.988 ( -0.800 -0.452 -1.435) 1.704 17.320 ( 1.162 4.760 1.220) 5.050 17.400 ( -0.620 1.009 -1.006) 1.554 17.472 ( 1.355 -0.512 0.658) 1.591 17.502 ( -0.634 -0.838 1.661) 1.966 17.610 ( -1.012 -1.400 -1.336) 2.184 17.729 ( -0.907 -5.131 0.131) 5.212 17.963 ( 1.656 -1.385 0.121) 2.162 18.013 ( 1.263 -3.670 -0.304) 3.893 18.058 ( 0.997 3.295 -0.211) 3.449 18.231 ( -2.237 -4.452 -0.392) 4.998 18.372 ( -1.488 0.353 -0.427) 1.588 18.481 ( 1.647 -5.288 1.346) 5.699 18.597 ( 0.794 2.379 0.665) 2.595 18.776 ( -0.062 -5.322 0.116) 5.324 20.520 ( 0.206 0.350 -0.140) 0.430 20.538 ( -0.362 -0.703 -0.417) 0.894 20.682 ( 0.765 -0.303 0.616) 1.028 20.714 ( -0.154 -1.717 1.049) 2.018 21.501 ( -0.055 0.807 0.138) 0.820 21.514 ( 0.363 0.189 0.215) 0.462 21.625 ( -0.100 1.526 0.041) 1.530 21.674 ( -1.357 -0.607 -0.235) 1.505 27.385 ( -0.678 0.689 -0.122) 0.974 27.419 ( 0.502 -0.816 -0.035) 0.959 27.478 ( 0.017 0.294 -0.069) 0.303 27.488 ( -0.075 0.029 0.013) 0.081 27.793 ( -0.244 0.921 -0.156) 0.966 27.804 ( -0.758 0.493 -0.106) 0.910 27.861 ( 0.375 1.532 0.291) 1.604 27.893 ( -0.009 0.268 0.041) 0.272 35.254 ( 0.817 2.328 -0.475) 2.513 35.393 ( 3.068 -4.333 -0.355) 5.321 35.650 ( 6.881 3.555 0.074) 7.746 35.748 ( 4.332 0.324 -0.738) 4.406 35.959 ( -0.849 1.778 1.954) 2.775 36.138 ( -4.022 -7.407 1.235) 8.519 36.506 ( -1.215 10.074 0.323) 10.152 36.929 ( -0.536 -9.383 -0.204) 9.400 39.555 ( -0.439 2.558 -1.703) 3.104 39.612 ( 0.861 -0.168 0.557) 1.039 39.870 ( -0.821 -0.175 -0.446) 0.950 40.106 ( -5.364 -11.623 -2.515) 13.045 40.785 ( 4.969 3.581 2.653) 6.675 40.929 ( -1.222 -1.425 0.974) 2.115 41.323 ( -0.018 12.273 -1.441) 12.357 41.738 ( -0.831 -6.343 -0.432) 6.412 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -1.131 12.620 0.525) 12.682 1.958 ( 6.377 15.289 3.178) 16.867 2.281 ( -5.119 -12.728 -2.498) 13.944 2.393 ( 4.167 5.922 0.759) 7.281 2.542 ( -1.216 -5.668 1.040) 5.890 2.596 ( 3.985 3.240 0.292) 5.144 2.727 ( -1.899 -1.513 -2.092) 3.205 2.755 ( -1.792 -1.068 2.657) 3.378 2.824 ( -4.365 22.205 -1.231) 22.663 2.927 ( -2.683 6.321 -0.336) 6.875 2.970 ( -0.490 3.206 -0.544) 3.288 3.198 ( 2.678 2.343 -2.311) 4.243 3.251 ( -2.617 3.281 2.939) 5.124 3.280 ( -0.647 0.566 0.484) 0.987 3.299 ( -0.069 0.546 0.158) 0.573 3.368 ( 3.940 2.989 0.291) 4.954 3.477 ( -3.892 -0.566 -0.542) 3.970 3.578 ( -1.091 -5.868 0.170) 5.971 3.618 ( -0.226 3.186 -1.119) 3.384 3.755 ( 0.227 4.413 -1.459) 4.653 3.912 ( 2.994 -2.043 -2.247) 4.264 3.948 ( -0.904 3.031 0.952) 3.304 3.972 ( 0.550 -4.842 2.893) 5.668 4.038 ( 4.260 7.515 5.183) 10.074 4.102 ( -0.312 0.039 0.449) 0.548 4.194 ( 2.402 4.187 -1.223) 4.980 4.329 ( 2.164 4.392 0.494) 4.921 4.371 ( 0.748 -5.692 0.287) 5.748 4.542 ( -0.077 7.805 1.637) 7.975 4.651 ( 3.264 6.671 -1.150) 7.515 4.694 ( 2.097 1.532 0.444) 2.635 4.764 ( 1.124 -1.217 2.983) 3.412 4.844 ( -3.369 1.214 -3.001) 4.672 4.905 ( -2.055 5.328 -1.958) 6.037 4.980 ( -2.821 -3.060 -0.291) 4.173 5.040 ( 0.190 -7.613 1.138) 7.700 5.157 ( 2.906 -1.605 4.723) 5.773 5.260 ( -0.266 2.486 -3.784) 4.536 5.278 ( 0.907 -3.414 1.147) 3.714 5.333 ( -1.596 -1.809 -0.973) 2.602 5.473 ( -1.864 1.983 -2.302) 3.564 5.481 ( -0.151 -9.594 -4.263) 10.500 5.482 ( -3.147 0.295 0.570) 3.212 5.644 ( -2.307 -8.969 -0.241) 9.264 5.859 ( 1.280 6.275 -0.665) 6.438 6.036 ( 3.905 -0.323 -5.620) 6.851 6.105 ( -2.843 4.216 3.277) 6.049 6.169 ( -1.294 1.573 0.953) 2.249 6.219 ( 1.164 2.107 2.345) 3.361 6.292 ( 0.814 0.897 2.600) 2.868 6.376 ( -2.022 0.574 -0.311) 2.125 6.582 ( 0.750 -2.734 2.932) 4.078 6.595 ( 2.742 -0.424 -0.555) 2.830 6.617 ( -0.563 -0.989 0.207) 1.156 6.669 ( -1.303 -0.825 -0.830) 1.752 6.703 ( -2.611 0.276 -2.084) 3.352 6.913 ( 1.577 -3.096 3.169) 4.702 6.952 ( -1.041 -6.097 -1.111) 6.285 7.010 ( 4.000 0.772 0.538) 4.109 7.056 ( -0.129 -0.758 -2.285) 2.411 7.144 ( 4.248 2.041 3.097) 5.639 7.180 ( 1.529 3.235 -0.800) 3.667 7.213 ( -0.940 1.593 2.054) 2.764 7.285 ( -4.331 3.896 -2.559) 6.363 7.334 ( 4.486 -1.226 5.473) 7.182 7.408 ( 2.334 1.477 -1.300) 3.053 7.486 ( 0.898 0.912 0.611) 1.418 7.515 ( -1.221 1.474 -1.910) 2.704 7.594 ( -1.433 7.438 -1.471) 7.716 7.678 ( -0.777 2.513 0.292) 2.647 7.713 ( 2.266 2.037 -0.151) 3.051 7.748 ( 4.479 -4.668 -0.067) 6.469 7.777 ( -0.410 3.159 -0.849) 3.297 7.867 ( -3.707 -2.886 1.262) 4.865 7.951 ( 0.367 2.588 -0.873) 2.756 8.048 ( 1.254 -1.213 2.570) 3.107 8.064 ( 0.505 -0.655 3.314) 3.416 8.138 ( 0.284 -0.051 -2.029) 2.049 8.190 ( 2.535 -5.007 0.111) 5.613 8.290 ( 0.902 -6.749 3.083) 7.474 8.336 ( 1.894 -1.594 -2.923) 3.831 8.463 ( 0.409 -1.535 1.176) 1.977 8.533 ( -0.680 0.604 -1.899) 2.105 8.613 ( -3.861 -1.030 -4.009) 5.660 8.762 ( 1.995 -0.712 2.159) 3.025 8.875 ( -3.785 -2.912 -1.476) 4.998 9.050 ( 1.224 4.997 2.374) 5.666 9.158 ( -2.926 -1.249 -0.988) 3.331 9.529 ( -0.421 5.789 1.839) 6.089 9.592 ( -1.813 2.043 -2.230) 3.526 9.646 ( -0.445 -1.520 2.180) 2.694 9.787 ( -0.439 -7.036 -2.331) 7.425 10.396 ( -1.040 5.189 -1.240) 5.436 10.529 ( 0.572 -2.835 0.419) 2.923 10.653 ( -0.601 7.571 -0.456) 7.608 10.861 ( 0.471 -2.761 1.050) 2.991 11.222 ( -0.043 7.919 -0.476) 7.933 11.623 ( -0.799 -7.821 -0.435) 7.874 12.310 ( -2.740 4.000 6.304) 7.953 12.386 ( -0.161 2.868 -9.809) 10.221 12.580 ( -2.249 -4.466 6.391) 8.115 12.609 ( 1.406 -5.132 -5.587) 7.716 13.184 ( -0.217 6.998 0.325) 7.009 13.463 ( 0.049 -5.442 -0.025) 5.442 15.572 ( 1.684 -0.557 0.455) 1.832 15.624 ( -2.131 -1.945 -0.027) 2.885 16.297 ( -0.317 2.473 -0.810) 2.621 16.378 ( -0.130 0.526 -0.830) 0.991 16.920 ( -1.339 0.665 -0.135) 1.501 16.963 ( -0.450 -1.120 -0.674) 1.382 17.351 ( 0.617 4.596 1.021) 4.748 17.384 ( -0.414 1.441 -0.406) 1.553 17.489 ( 0.408 -2.841 -0.308) 2.887 17.507 ( 0.060 2.945 0.218) 2.953 17.603 ( 0.216 -4.380 0.536) 4.418 17.705 ( -1.040 -4.052 -0.072) 4.184 17.997 ( 1.367 -1.324 0.134) 1.908 18.024 ( 0.104 -2.220 -0.331) 2.247 18.086 ( 1.880 0.408 -0.319) 1.950 18.175 ( -2.564 -2.638 -0.221) 3.685 18.350 ( -0.636 2.250 0.023) 2.338 18.512 ( 0.610 -6.124 0.415) 6.168 18.614 ( 0.313 1.952 0.339) 2.006 18.785 ( 0.426 -5.854 0.376) 5.881 20.523 ( 0.226 0.117 -0.066) 0.263 20.529 ( -0.265 -0.279 -0.184) 0.426 20.701 ( 0.537 -0.741 0.226) 0.942 20.720 ( -0.229 -1.634 0.677) 1.783 21.502 ( 0.007 1.074 0.101) 1.079 21.522 ( 0.186 0.078 0.117) 0.233 21.625 ( 0.105 1.089 0.072) 1.096 21.647 ( -0.898 0.316 -0.163) 0.966 27.374 ( -0.316 1.192 -0.069) 1.235 27.426 ( 0.225 -1.203 -0.029) 1.224 27.478 ( 0.059 0.030 -0.072) 0.098 27.486 ( -0.139 -0.062 0.027) 0.155 27.787 ( -0.048 0.744 -0.185) 0.768 27.791 ( -0.463 0.620 0.049) 0.776 27.869 ( 0.163 1.382 0.179) 1.403 27.893 ( -0.020 0.482 -0.001) 0.483 35.297 ( 2.954 2.503 -0.401) 3.892 35.399 ( -1.366 -1.973 0.181) 2.407 35.787 ( 4.342 0.437 -1.111) 4.503 35.835 ( 6.368 -1.263 -1.477) 6.658 35.968 ( -0.725 -0.101 3.502) 3.578 36.046 ( -5.783 -5.409 0.098) 7.919 36.488 ( -0.730 10.220 0.269) 10.249 36.920 ( -0.173 -8.910 -0.064) 8.912 39.536 ( -0.153 3.282 -0.795) 3.381 39.628 ( 0.422 -0.991 0.030) 1.077 39.866 ( 0.558 -2.726 0.485) 2.825 39.989 ( -3.528 -9.044 -1.824) 9.878 40.866 ( 1.034 4.538 0.263) 4.662 40.939 ( 0.795 -0.600 1.933) 2.174 41.303 ( -0.314 10.652 -1.219) 10.726 41.719 ( -0.493 -6.724 -0.250) 6.747 ======================= Grid point 20 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.000 -21.118 0.000) 21.118 2.076 ( 0.000 21.118 0.000) 21.118 2.162 ( 0.000 -15.998 0.000) 15.998 2.162 ( 0.000 15.998 0.000) 15.998 2.467 ( 0.000 -7.605 0.000) 7.605 2.467 ( 0.000 7.605 0.000) 7.605 2.813 ( 0.000 -4.934 0.000) 4.934 2.813 ( 0.000 4.934 0.000) 4.934 3.023 ( 0.000 -0.929 0.000) 0.929 3.023 ( 0.000 0.929 0.000) 0.929 3.183 ( 0.000 -2.453 0.000) 2.453 3.183 ( 0.000 2.453 0.000) 2.453 3.266 ( 0.000 -0.183 0.000) 0.183 3.266 ( 0.000 0.183 0.000) 0.183 3.356 ( 0.000 -9.912 0.000) 9.912 3.356 ( 0.000 9.912 0.000) 9.912 3.578 ( 0.000 -5.165 0.000) 5.165 3.578 ( 0.000 5.165 0.000) 5.165 3.819 ( 0.000 -0.970 0.000) 0.970 3.819 ( 0.000 0.970 0.000) 0.970 3.905 ( 0.000 -5.373 0.000) 5.373 3.905 ( 0.000 5.373 0.000) 5.373 3.932 ( 0.000 -5.802 0.000) 5.802 3.932 ( 0.000 5.802 0.000) 5.802 4.124 ( 0.000 -3.552 0.000) 3.552 4.124 ( 0.000 3.552 0.000) 3.552 4.251 ( 0.000 -8.390 0.000) 8.390 4.251 ( 0.000 8.390 0.000) 8.390 4.458 ( 0.000 -2.384 0.000) 2.384 4.458 ( 0.000 2.384 0.000) 2.384 4.688 ( 0.000 -1.664 0.000) 1.664 4.688 ( 0.000 1.664 0.000) 1.664 4.923 ( 0.000 -0.866 0.000) 0.866 4.923 ( 0.000 0.866 0.000) 0.866 5.013 ( 0.000 -5.749 0.000) 5.749 5.013 ( 0.000 5.749 0.000) 5.749 5.185 ( 0.000 -6.158 0.000) 6.158 5.185 ( 0.000 6.158 0.000) 6.158 5.358 ( 0.000 -7.382 0.000) 7.382 5.358 ( 0.000 7.382 0.000) 7.382 5.517 ( 0.000 -10.449 0.000) 10.449 5.517 ( 0.000 10.449 0.000) 10.449 5.670 ( 0.000 -2.844 0.000) 2.844 5.670 ( 0.000 2.844 0.000) 2.844 5.940 ( 0.000 -7.060 0.000) 7.060 5.940 ( 0.000 7.060 0.000) 7.060 6.029 ( 0.000 -1.995 0.000) 1.995 6.029 ( 0.000 1.995 0.000) 1.995 6.402 ( 0.000 -7.523 0.000) 7.523 6.402 ( 0.000 7.523 0.000) 7.523 6.459 ( 0.000 -3.046 0.000) 3.046 6.459 ( 0.000 3.046 0.000) 3.046 6.612 ( 0.000 -0.234 0.000) 0.234 6.612 ( 0.000 0.234 0.000) 0.234 6.705 ( 0.000 -3.347 0.000) 3.347 6.705 ( 0.000 3.347 0.000) 3.347 6.800 ( 0.000 -5.111 0.000) 5.111 6.800 ( 0.000 5.111 0.000) 5.111 6.903 ( 0.000 -4.594 0.000) 4.594 6.903 ( 0.000 4.594 0.000) 4.594 7.100 ( 0.000 -2.859 0.000) 2.859 7.100 ( 0.000 2.859 0.000) 2.859 7.274 ( 0.000 -0.607 0.000) 0.607 7.274 ( 0.000 0.607 0.000) 0.607 7.354 ( 0.000 -0.747 0.000) 0.747 7.354 ( 0.000 0.747 0.000) 0.747 7.522 ( 0.000 -8.931 0.000) 8.931 7.522 ( 0.000 8.931 0.000) 8.931 7.633 ( 0.000 -3.588 0.000) 3.588 7.633 ( 0.000 3.588 0.000) 3.588 7.731 ( 0.000 -5.481 0.000) 5.481 7.731 ( 0.000 5.481 0.000) 5.481 7.785 ( 0.000 -3.219 0.000) 3.219 7.785 ( 0.000 3.219 0.000) 3.219 7.922 ( 0.000 -4.377 0.000) 4.377 7.922 ( 0.000 4.377 0.000) 4.377 8.070 ( 0.000 -3.048 0.000) 3.048 8.070 ( 0.000 3.048 0.000) 3.048 8.171 ( 0.000 -2.232 0.000) 2.232 8.171 ( 0.000 2.232 0.000) 2.232 8.292 ( 0.000 -1.978 0.000) 1.978 8.292 ( 0.000 1.978 0.000) 1.978 8.698 ( 0.000 -2.808 0.000) 2.808 8.698 ( 0.000 2.808 0.000) 2.808 8.874 ( 0.000 -2.640 0.000) 2.640 8.874 ( 0.000 2.640 0.000) 2.640 9.173 ( 0.000 -3.930 0.000) 3.930 9.173 ( 0.000 3.930 0.000) 3.930 9.521 ( 0.000 -1.280 0.000) 1.280 9.521 ( 0.000 1.280 0.000) 1.280 9.810 ( 0.000 -5.080 0.000) 5.080 9.810 ( 0.000 5.080 0.000) 5.080 10.486 ( 0.000 -0.366 0.000) 0.366 10.486 ( 0.000 0.366 0.000) 0.366 10.784 ( 0.000 -2.064 0.000) 2.064 10.784 ( 0.000 2.064 0.000) 2.064 11.456 ( 0.000 -11.675 0.000) 11.675 11.456 ( 0.000 11.675 0.000) 11.675 12.456 ( 0.000 -6.392 0.000) 6.392 12.456 ( 0.000 6.392 0.000) 6.392 12.608 ( 0.000 -0.253 0.000) 0.253 12.608 ( 0.000 0.253 0.000) 0.253 13.327 ( 0.000 -6.928 0.000) 6.928 13.327 ( 0.000 6.928 0.000) 6.928 15.576 ( 0.000 -4.183 0.000) 4.183 15.576 ( 0.000 4.183 0.000) 4.183 16.373 ( 0.000 -1.961 0.000) 1.961 16.373 ( 0.000 1.961 0.000) 1.961 16.999 ( 0.000 -0.506 0.000) 0.506 16.999 ( 0.000 0.506 0.000) 0.506 17.420 ( 0.000 -4.901 0.000) 4.901 17.420 ( 0.000 4.901 0.000) 4.901 17.438 ( 0.000 -1.386 0.000) 1.386 17.438 ( 0.000 1.386 0.000) 1.386 17.645 ( 0.000 -1.061 0.000) 1.061 17.645 ( 0.000 1.061 0.000) 1.061 17.945 ( 0.000 -1.452 0.000) 1.452 17.945 ( 0.000 1.452 0.000) 1.452 18.145 ( 0.000 -5.372 0.000) 5.372 18.145 ( 0.000 5.372 0.000) 5.372 18.395 ( 0.000 -0.575 0.000) 0.575 18.395 ( 0.000 0.575 0.000) 0.575 18.669 ( 0.000 -5.089 0.000) 5.089 18.669 ( 0.000 5.089 0.000) 5.089 20.529 ( 0.000 -0.627 0.000) 0.627 20.529 ( 0.000 0.627 0.000) 0.627 20.680 ( 0.000 -1.030 0.000) 1.030 20.680 ( 0.000 1.030 0.000) 1.030 21.510 ( 0.000 -0.176 0.000) 0.176 21.510 ( 0.000 0.176 0.000) 0.176 21.661 ( 0.000 -1.619 0.000) 1.619 21.661 ( 0.000 1.619 0.000) 1.619 27.402 ( 0.000 -0.420 0.000) 0.420 27.402 ( 0.000 0.420 0.000) 0.420 27.486 ( 0.000 -0.345 0.000) 0.345 27.486 ( 0.000 0.345 0.000) 0.345 27.812 ( 0.000 -0.468 0.000) 0.468 27.812 ( 0.000 0.468 0.000) 0.468 27.884 ( 0.000 -1.038 0.000) 1.038 27.884 ( 0.000 1.038 0.000) 1.038 35.293 ( 0.000 -0.324 0.000) 0.324 35.293 ( 0.000 0.324 0.000) 0.324 35.673 ( 0.000 -3.051 0.000) 3.051 35.673 ( 0.000 3.051 0.000) 3.051 36.032 ( 0.000 -5.209 0.000) 5.209 36.032 ( 0.000 5.209 0.000) 5.209 36.729 ( 0.000 -10.537 0.000) 10.537 36.729 ( 0.000 10.537 0.000) 10.537 39.599 ( 0.000 -0.257 0.000) 0.257 39.599 ( 0.000 0.257 0.000) 0.257 39.963 ( 0.000 -7.314 0.000) 7.314 39.963 ( 0.000 7.314 0.000) 7.314 40.833 ( 0.000 -5.932 0.000) 5.932 40.833 ( 0.000 5.932 0.000) 5.932 41.580 ( 0.000 -10.415 0.000) 10.415 41.580 ( 0.000 10.415 0.000) 10.415 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -3.361 -12.226 -1.546) 12.773 2.034 ( -3.361 12.226 -1.546) 12.773 2.214 ( 3.777 -7.653 1.464) 8.659 2.214 ( 3.777 7.653 1.464) 8.659 2.487 ( 1.350 -1.796 1.868) 2.922 2.487 ( 1.350 1.796 1.868) 2.922 2.763 ( -2.720 -4.032 0.283) 4.872 2.763 ( -2.720 4.032 0.283) 4.872 3.019 ( -1.522 -0.678 0.554) 1.756 3.019 ( -1.522 0.678 0.554) 1.756 3.233 ( 3.984 -1.206 -2.385) 4.798 3.233 ( 3.984 1.206 -2.385) 4.798 3.254 ( -3.220 -3.301 2.605) 5.296 3.254 ( -3.220 3.301 2.605) 5.296 3.360 ( 1.036 -7.820 0.593) 7.910 3.360 ( 1.036 7.820 0.593) 7.910 3.512 ( -3.440 -6.015 -2.880) 7.504 3.512 ( -3.440 6.015 -2.880) 7.504 3.779 ( -2.948 -5.159 0.322) 5.951 3.779 ( -2.948 5.159 0.322) 5.951 3.897 ( 0.870 -5.240 -2.744) 5.979 3.897 ( 0.870 5.240 -2.744) 5.979 4.041 ( 3.172 -6.543 5.805) 9.304 4.041 ( 3.172 6.543 5.805) 9.304 4.099 ( 0.432 -1.621 -1.014) 1.960 4.099 ( 0.432 1.621 -1.014) 1.960 4.267 ( 1.870 -5.056 0.991) 5.481 4.267 ( 1.870 5.056 0.991) 5.481 4.540 ( 5.395 -2.493 3.629) 6.963 4.540 ( 5.395 2.493 3.629) 6.963 4.701 ( 1.403 -1.806 0.380) 2.318 4.701 ( 1.403 1.806 0.380) 2.318 4.916 ( 0.389 -0.352 -3.250) 3.292 4.916 ( 0.389 0.352 -3.250) 3.292 5.047 ( -0.947 -4.917 2.840) 5.757 5.047 ( -0.947 4.917 2.840) 5.757 5.127 ( -2.688 -2.234 0.509) 3.532 5.127 ( -2.688 2.234 0.509) 3.532 5.361 ( 2.195 -3.224 -3.042) 4.946 5.361 ( 2.195 3.224 -3.042) 4.946 5.472 ( -3.372 -6.052 -1.919) 7.189 5.472 ( -3.372 6.052 -1.919) 7.189 5.613 ( -4.249 -3.324 -2.119) 5.796 5.613 ( -4.249 3.324 -2.119) 5.796 5.955 ( 3.750 -5.530 -4.723) 8.182 5.955 ( 3.750 5.530 -4.723) 8.182 6.103 ( 4.091 -0.419 4.198) 5.876 6.103 ( 4.091 0.419 4.198) 5.876 6.313 ( -6.638 -2.672 1.225) 7.259 6.313 ( -6.638 2.672 1.225) 7.259 6.448 ( -1.167 -4.686 2.549) 5.461 6.448 ( -1.167 4.686 2.549) 5.461 6.576 ( -0.082 -2.553 -1.854) 3.157 6.576 ( -0.082 2.553 -1.854) 3.157 6.767 ( 0.501 -3.009 1.218) 3.285 6.767 ( 0.501 3.009 1.218) 3.285 6.887 ( -0.798 -3.122 1.557) 3.579 6.887 ( -0.798 3.122 1.557) 3.579 6.970 ( 9.536 -6.672 2.364) 11.876 6.970 ( 9.536 6.672 2.364) 11.876 7.100 ( -0.643 -1.589 0.519) 1.791 7.100 ( -0.643 1.589 0.519) 1.791 7.240 ( -1.058 -2.094 -0.377) 2.376 7.240 ( -1.058 2.094 -0.377) 2.376 7.363 ( 2.876 -2.085 -1.268) 3.771 7.363 ( 2.876 2.085 -1.268) 3.771 7.482 ( -2.136 -0.226 -0.400) 2.185 7.482 ( -2.136 0.226 -0.400) 2.185 7.670 ( 2.539 -2.839 -1.220) 3.999 7.670 ( 2.539 2.839 -1.220) 3.999 7.760 ( -0.646 -3.135 0.136) 3.204 7.760 ( -0.646 3.135 0.136) 3.204 7.798 ( 4.187 -5.450 0.857) 6.926 7.798 ( 4.187 5.450 0.857) 6.926 7.961 ( 0.815 -0.438 3.155) 3.288 7.961 ( 0.815 0.438 3.155) 3.288 8.063 ( -1.638 -7.677 1.828) 8.060 8.063 ( -1.638 7.677 1.828) 8.060 8.151 ( -0.981 -1.889 0.039) 2.129 8.151 ( -0.981 1.889 0.039) 2.129 8.333 ( 5.170 -2.418 -3.404) 6.646 8.333 ( 5.170 2.418 -3.404) 6.646 8.654 ( -3.430 -1.939 -1.170) 4.111 8.654 ( -3.430 1.939 -1.170) 4.111 8.872 ( -0.762 -2.850 -0.696) 3.031 8.872 ( -0.762 2.850 -0.696) 3.031 9.127 ( -3.448 -4.195 1.070) 5.534 9.127 ( -3.448 4.195 1.070) 5.534 9.556 ( 1.649 -0.400 2.037) 2.651 9.556 ( 1.649 0.400 2.037) 2.651 9.768 ( -3.004 -4.722 -2.363) 6.075 9.768 ( -3.004 4.722 -2.363) 6.075 10.481 ( -0.323 -1.068 -0.273) 1.148 10.481 ( -0.323 1.068 -0.273) 1.148 10.782 ( -0.174 -3.386 0.176) 3.395 10.782 ( -0.174 3.386 0.176) 3.395 11.445 ( -0.729 -11.369 -0.720) 11.415 11.445 ( -0.729 11.369 -0.720) 11.415 12.439 ( -3.210 -6.287 2.263) 7.413 12.439 ( -3.210 6.287 2.263) 7.413 12.571 ( -0.412 -2.440 -4.515) 5.149 12.571 ( -0.412 2.440 -4.515) 5.149 13.329 ( -0.018 -7.054 0.275) 7.059 13.329 ( -0.018 7.054 0.275) 7.059 15.580 ( 0.096 -3.345 0.305) 3.360 15.580 ( 0.096 3.345 0.305) 3.360 16.366 ( -0.101 -2.201 -1.122) 2.472 16.366 ( -0.101 2.201 -1.122) 2.472 16.976 ( -1.672 -0.736 -0.758) 1.978 16.976 ( -1.672 0.736 -0.758) 1.978 17.413 ( 0.564 -1.420 -1.510) 2.148 17.413 ( 0.564 1.420 -1.510) 2.148 17.459 ( -0.003 -2.939 3.107) 4.277 17.459 ( -0.003 2.939 3.107) 4.277 17.629 ( -0.901 -3.916 -0.989) 4.138 17.629 ( -0.901 3.916 -0.989) 4.138 17.962 ( 1.471 -1.297 0.052) 1.962 17.962 ( 1.471 1.297 0.052) 1.962 18.139 ( -0.398 -4.421 -0.478) 4.464 18.139 ( -0.398 4.421 -0.478) 4.464 18.401 ( 0.229 -2.603 0.652) 2.693 18.401 ( 0.229 2.603 0.652) 2.693 18.672 ( 0.175 -4.663 0.340) 4.679 18.672 ( 0.175 4.663 0.340) 4.679 20.527 ( -0.011 -0.418 -0.204) 0.465 20.527 ( -0.011 0.418 -0.204) 0.465 20.687 ( 0.282 -0.828 0.560) 1.039 20.687 ( 0.282 0.828 0.560) 1.039 21.513 ( 0.186 -0.319 0.204) 0.422 21.513 ( 0.186 0.319 0.204) 0.422 21.654 ( -0.563 -1.261 -0.081) 1.384 21.654 ( -0.563 1.261 -0.081) 1.384 27.401 ( -0.078 -0.854 -0.027) 0.858 27.401 ( -0.078 0.854 -0.027) 0.858 27.485 ( -0.105 -0.337 -0.080) 0.362 27.485 ( -0.105 0.337 -0.080) 0.362 27.806 ( -0.521 -0.307 -0.075) 0.609 27.806 ( -0.521 0.307 -0.075) 0.609 27.887 ( 0.202 -0.874 0.106) 0.903 27.887 ( 0.202 0.874 0.106) 0.903 35.313 ( 2.068 -3.447 -0.278) 4.029 35.313 ( 2.068 3.447 -0.278) 4.029 35.725 ( 4.890 -2.827 -0.563) 5.677 35.725 ( 4.890 2.827 -0.563) 5.677 36.015 ( -2.519 -4.242 1.592) 5.184 36.015 ( -2.519 4.242 1.592) 5.184 36.721 ( -0.782 -10.741 0.146) 10.770 36.721 ( -0.782 10.741 0.146) 10.770 39.598 ( 0.161 -1.428 -0.567) 1.544 39.598 ( 0.161 1.428 -0.567) 1.544 39.924 ( -2.696 -5.819 -1.410) 6.566 39.924 ( -2.696 5.819 -1.410) 6.566 40.867 ( 2.050 -4.009 1.850) 4.867 40.867 ( 2.050 4.009 1.850) 4.867 41.563 ( -1.044 -10.552 -0.859) 10.639 41.563 ( -1.044 10.552 -0.859) 10.639 ======================= Grid point 24 (15/80) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -2.618 -15.336 -1.160) 15.601 1.950 ( -2.618 15.336 -1.160) 15.601 2.293 ( 2.157 -13.419 0.959) 13.625 2.293 ( 2.157 13.419 0.959) 13.625 2.557 ( 3.898 -6.533 0.504) 7.625 2.557 ( 3.898 6.533 0.504) 7.625 2.721 ( -3.185 -1.897 1.297) 3.928 2.721 ( -3.185 1.897 1.297) 3.928 3.010 ( 0.645 -2.793 0.315) 2.883 3.010 ( 0.645 2.793 0.315) 2.883 3.177 ( -3.840 -6.797 0.187) 7.808 3.177 ( -3.840 6.797 0.187) 7.808 3.255 ( -0.256 -7.729 -1.060) 7.805 3.255 ( -0.256 7.729 -1.060) 7.805 3.391 ( 1.529 -2.151 -0.818) 2.763 3.391 ( 1.529 2.151 -0.818) 2.763 3.450 ( -1.242 -1.251 0.133) 1.768 3.450 ( -1.242 1.251 0.133) 1.768 3.748 ( -0.866 -10.023 0.526) 10.074 3.748 ( -0.866 10.023 0.526) 10.074 3.884 ( 0.208 -5.523 -1.356) 5.691 3.884 ( 0.208 5.523 -1.356) 5.691 4.031 ( -1.342 -3.590 -0.326) 3.847 4.031 ( -1.342 3.590 -0.326) 3.847 4.171 ( 1.244 -5.293 1.531) 5.649 4.171 ( 1.244 5.293 1.531) 5.649 4.366 ( 4.287 -1.818 2.599) 5.333 4.366 ( 4.287 1.818 2.599) 5.333 4.677 ( 4.328 -3.358 2.434) 5.994 4.677 ( 4.328 3.358 2.434) 5.994 4.750 ( 1.943 -1.000 1.871) 2.877 4.750 ( 1.943 1.000 1.871) 2.877 4.859 ( -1.606 -3.503 -4.719) 6.092 4.859 ( -1.606 3.503 -4.719) 6.092 4.970 ( -3.898 -0.365 0.089) 3.916 4.970 ( -3.898 0.365 0.089) 3.916 5.195 ( 3.049 -3.923 4.689) 6.832 5.195 ( 3.049 3.923 4.689) 6.832 5.335 ( -1.660 -3.426 -5.888) 7.012 5.335 ( -1.660 3.426 -5.888) 7.012 5.412 ( -0.480 -8.266 0.437) 8.291 5.412 ( -0.480 8.266 0.437) 8.291 5.512 ( -3.043 -2.165 -1.301) 3.954 5.512 ( -3.043 2.165 -1.301) 3.954 5.982 ( 2.391 -4.759 -2.502) 5.884 5.982 ( 2.391 4.759 -2.502) 5.884 6.172 ( -0.412 -1.723 0.673) 1.895 6.172 ( -0.412 1.723 0.673) 1.895 6.263 ( -0.750 -2.421 3.075) 3.985 6.263 ( -0.750 2.421 3.075) 3.985 6.455 ( -0.180 -6.663 1.297) 6.791 6.455 ( -0.180 6.663 1.297) 6.791 6.587 ( 1.585 -1.105 -0.445) 1.983 6.587 ( 1.585 1.105 -0.445) 1.983 6.727 ( -3.029 -2.352 -1.454) 4.101 6.727 ( -3.029 2.352 -1.454) 4.101 6.857 ( -1.280 -1.514 0.153) 1.988 6.857 ( -1.280 1.514 0.153) 1.988 7.038 ( -0.489 -1.049 -1.119) 1.610 7.038 ( -0.489 1.049 -1.119) 1.610 7.199 ( 4.759 -1.651 1.729) 5.325 7.199 ( 4.759 1.651 1.729) 5.325 7.265 ( 2.735 -4.502 3.592) 6.376 7.265 ( 2.735 4.502 3.592) 6.376 7.386 ( -1.699 -4.987 -3.576) 6.367 7.386 ( -1.699 4.987 -3.576) 6.367 7.498 ( 4.231 -3.775 2.056) 6.031 7.498 ( 4.231 3.775 2.056) 6.031 7.678 ( -0.255 -3.257 -1.527) 3.606 7.678 ( -0.255 3.257 -1.527) 3.606 7.764 ( -0.167 -2.841 1.460) 3.199 7.764 ( -0.167 2.841 1.460) 3.199 7.837 ( -0.066 -3.269 -1.178) 3.475 7.837 ( -0.066 3.269 -1.178) 3.475 7.974 ( -2.812 -3.782 0.018) 4.713 7.974 ( -2.812 3.782 0.018) 4.713 8.054 ( 1.421 -2.249 3.216) 4.174 8.054 ( 1.421 2.249 3.216) 4.174 8.197 ( 2.611 -2.520 1.217) 3.827 8.197 ( 2.611 2.520 1.217) 3.827 8.383 ( 2.556 -4.605 -2.142) 5.685 8.383 ( 2.556 4.605 -2.142) 5.685 8.578 ( -1.853 -2.568 -1.794) 3.640 8.578 ( -1.853 2.568 -1.794) 3.640 8.807 ( -3.660 -3.670 -0.915) 5.263 8.807 ( -3.660 3.670 -0.915) 5.263 9.122 ( 0.738 -2.409 1.391) 2.878 9.122 ( 0.738 2.409 1.391) 2.878 9.601 ( 0.243 -2.161 3.443) 4.073 9.601 ( 0.243 2.161 3.443) 4.073 9.672 ( -2.544 -4.469 -4.085) 6.568 9.672 ( -2.544 4.469 -4.085) 6.568 10.474 ( -0.161 -2.888 -0.136) 2.896 10.474 ( -0.161 2.888 -0.136) 2.896 10.783 ( 0.051 -4.985 0.241) 4.991 10.783 ( 0.051 4.985 0.241) 4.991 11.423 ( -0.565 -10.916 -0.528) 10.944 11.423 ( -0.565 10.916 -0.528) 10.944 12.392 ( -2.455 -2.859 1.048) 3.911 12.392 ( -2.455 2.859 1.048) 3.911 12.537 ( 0.486 -1.408 -2.331) 2.767 12.537 ( 0.486 1.408 -2.331) 2.767 13.331 ( -0.035 -7.193 0.183) 7.196 13.331 ( -0.035 7.193 0.183) 7.196 15.582 ( -0.055 -1.640 0.126) 1.646 15.582 ( -0.055 1.640 0.126) 1.646 16.353 ( -0.095 -2.511 -0.720) 2.614 16.353 ( -0.095 2.511 -0.720) 2.614 16.940 ( -0.995 -1.130 -0.407) 1.560 16.940 ( -0.995 1.130 -0.407) 1.560 17.413 ( 0.290 -1.126 -0.423) 1.238 17.413 ( 0.290 1.126 -0.423) 1.238 17.487 ( 0.134 -4.733 1.537) 4.978 17.487 ( 0.134 4.733 1.537) 4.978 17.604 ( -0.507 -5.169 -0.698) 5.240 17.604 ( -0.507 5.169 -0.698) 5.240 17.989 ( 0.984 -0.668 0.010) 1.190 17.989 ( 0.984 0.668 0.010) 1.190 18.124 ( -0.445 -2.434 -0.326) 2.495 18.124 ( -0.445 2.434 -0.326) 2.495 18.410 ( 0.080 -3.852 0.336) 3.868 18.410 ( 0.080 3.852 0.336) 3.868 18.680 ( 0.202 -4.347 0.276) 4.360 18.680 ( 0.202 4.347 0.276) 4.360 20.526 ( 0.004 -0.115 -0.103) 0.154 20.526 ( 0.004 0.115 -0.103) 0.154 20.697 ( 0.161 -0.476 0.319) 0.595 20.697 ( 0.161 0.476 0.319) 0.595 21.518 ( 0.116 -0.460 0.125) 0.491 21.518 ( 0.116 0.460 0.125) 0.491 21.643 ( -0.333 -0.616 -0.045) 0.702 21.643 ( -0.333 0.616 -0.045) 0.702 27.400 ( -0.046 -1.308 -0.014) 1.308 27.400 ( -0.046 1.308 -0.014) 1.308 27.482 ( -0.078 -0.288 -0.056) 0.304 27.482 ( -0.078 0.288 -0.056) 0.304 27.797 ( -0.283 -0.095 -0.042) 0.301 27.797 ( -0.283 0.095 -0.042) 0.301 27.891 ( 0.101 -0.660 0.064) 0.671 27.891 ( 0.101 0.660 0.064) 0.671 35.351 ( 1.537 -2.675 -0.144) 3.089 35.351 ( 1.537 2.675 -0.144) 3.089 35.807 ( 3.395 -1.563 -0.823) 3.827 35.807 ( 3.395 1.563 -0.823) 3.827 35.978 ( -2.292 -1.421 1.354) 3.018 35.978 ( -2.292 1.421 1.354) 3.018 36.710 ( -0.415 -11.152 0.154) 11.161 36.710 ( -0.415 11.152 0.154) 11.161 39.595 ( 0.106 -2.329 -0.377) 2.361 39.595 ( 0.106 2.329 -0.377) 2.361 39.866 ( -1.525 -2.932 -0.737) 3.386 39.866 ( -1.525 2.932 -0.737) 3.386 40.919 ( 1.162 -1.560 1.087) 2.228 40.919 ( 1.162 1.560 1.087) 2.229 41.536 ( -0.689 -10.906 -0.578) 10.943 41.536 ( -0.689 10.906 -0.578) 10.943 ======================= Grid point 45 (16/80) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.860 0.000 27.987) 28.000 0.525 ( 1.039 0.000 28.072) 28.092 0.944 ( 5.762 0.000 48.206) 48.549 2.128 ( 4.868 0.000 -4.820) 6.851 2.324 ( 1.500 0.000 -14.165) 14.245 2.472 ( 0.916 0.000 -13.620) 13.651 2.606 ( 0.538 0.000 1.551) 1.642 2.788 ( 0.656 0.000 0.456) 0.799 2.806 ( -8.157 0.000 0.512) 8.173 2.870 ( 8.388 0.000 0.191) 8.390 2.948 ( -0.905 0.000 3.341) 3.462 3.095 ( -6.566 0.000 4.207) 7.798 3.154 ( -8.252 0.000 2.397) 8.593 3.163 ( -2.964 0.000 -0.017) 2.964 3.200 ( 2.221 0.000 -0.935) 2.410 3.272 ( -4.103 0.000 2.193) 4.653 3.434 ( 1.308 0.000 4.361) 4.553 3.485 ( 1.942 0.000 -4.177) 4.606 3.532 ( 1.846 0.000 -3.160) 3.660 3.550 ( -2.341 0.000 0.971) 2.534 3.566 ( 5.021 0.000 2.654) 5.679 3.615 ( 3.250 0.000 0.780) 3.342 3.917 ( 1.547 0.000 -5.565) 5.776 3.944 ( -3.352 0.000 5.983) 6.859 4.143 ( 0.949 0.000 2.891) 3.043 4.172 ( 0.264 0.000 0.789) 0.832 4.269 ( 0.358 0.000 2.318) 2.346 4.305 ( -0.560 0.000 -4.540) 4.574 4.351 ( -2.441 0.000 -6.715) 7.145 4.566 ( 1.755 0.000 -2.573) 3.115 4.616 ( -4.705 0.000 3.063) 5.614 4.636 ( -0.834 0.000 -2.217) 2.368 4.856 ( -1.950 0.000 -2.386) 3.082 4.881 ( 4.946 0.000 -4.554) 6.723 4.999 ( -4.184 0.000 4.087) 5.849 5.138 ( -2.216 0.000 3.710) 4.321 5.285 ( 0.755 0.000 3.491) 3.572 5.448 ( 1.497 0.000 2.303) 2.747 5.483 ( -1.284 0.000 0.846) 1.537 5.590 ( 1.850 0.000 -8.226) 8.431 5.676 ( -4.323 0.000 -2.150) 4.828 5.692 ( 1.568 0.000 0.663) 1.702 5.822 ( -4.322 0.000 -3.433) 5.520 5.866 ( -2.620 0.000 -0.699) 2.712 5.919 ( -0.486 0.000 2.868) 2.909 5.932 ( 5.669 0.000 -5.766) 8.086 5.999 ( 6.167 0.000 4.747) 7.782 6.025 ( 4.738 0.000 2.414) 5.317 6.183 ( -1.076 0.000 -2.407) 2.637 6.281 ( -4.932 0.000 -1.998) 5.321 6.354 ( -7.982 0.000 2.198) 8.280 6.409 ( -0.139 0.000 2.927) 2.931 6.482 ( -0.076 0.000 3.273) 3.274 6.539 ( -1.183 0.000 6.999) 7.099 6.649 ( 2.106 0.000 -0.673) 2.211 6.726 ( 0.914 0.000 -2.263) 2.441 6.827 ( 1.372 0.000 -1.114) 1.767 6.859 ( -0.117 0.000 1.112) 1.119 6.946 ( -3.315 0.000 -0.894) 3.433 6.970 ( 4.177 0.000 3.924) 5.731 7.012 ( -1.442 0.000 -2.749) 3.104 7.060 ( -3.659 0.000 7.232) 8.105 7.164 ( -1.353 0.000 2.349) 2.710 7.342 ( 4.593 0.000 -3.856) 5.997 7.352 ( 4.181 0.000 -1.816) 4.558 7.400 ( 1.753 0.000 -1.085) 2.062 7.452 ( 2.002 0.000 -1.598) 2.562 7.585 ( -2.937 0.000 2.008) 3.557 7.588 ( -3.807 0.000 -1.964) 4.284 7.639 ( 2.941 0.000 4.370) 5.267 7.688 ( 0.564 0.000 2.066) 2.141 7.798 ( 6.952 0.000 2.260) 7.310 7.837 ( -6.591 0.000 1.243) 6.707 7.909 ( -22.676 0.000 0.680) 22.686 7.969 ( 0.585 0.000 -5.691) 5.721 8.010 ( -4.286 0.000 4.323) 6.088 8.088 ( 5.475 0.000 -1.169) 5.599 8.174 ( -0.843 0.000 -1.965) 2.138 8.196 ( 0.529 0.000 -2.756) 2.806 8.338 ( -1.645 0.000 5.405) 5.650 8.364 ( -3.183 0.000 -2.763) 4.215 8.456 ( -0.889 0.000 2.238) 2.408 8.519 ( -2.019 0.000 4.972) 5.366 8.692 ( 2.518 0.000 -9.617) 9.941 8.909 ( 1.794 0.000 5.311) 5.606 9.026 ( 7.180 0.000 -0.306) 7.186 9.059 ( -3.676 0.000 -1.268) 3.888 9.146 ( 1.113 0.000 -0.786) 1.363 9.232 ( 6.916 0.000 -2.609) 7.391 9.619 ( 5.588 0.000 -4.746) 7.331 9.744 ( -1.961 0.000 1.325) 2.367 10.076 ( -1.734 0.000 -2.147) 2.760 10.141 ( 9.701 0.000 -5.510) 11.156 10.271 ( -26.945 0.000 -4.682) 27.349 10.648 ( 17.525 0.000 0.635) 17.536 10.669 ( 1.790 0.000 1.832) 2.561 11.105 ( -1.040 0.000 5.279) 5.381 11.589 ( 3.431 0.000 -6.157) 7.049 11.900 ( -6.737 0.000 10.357) 12.356 12.457 ( -5.251 0.000 1.682) 5.514 12.742 ( -0.875 0.000 -1.623) 1.844 12.861 ( 2.268 0.000 -4.896) 5.395 13.603 ( -1.376 0.000 2.394) 2.761 13.720 ( -23.047 0.000 -0.616) 23.056 15.221 ( -0.622 0.000 1.711) 1.821 15.787 ( 24.353 0.000 -11.441) 26.907 16.278 ( -0.696 0.000 -0.297) 0.757 16.324 ( -1.839 0.000 2.820) 3.367 17.085 ( -1.240 0.000 1.931) 2.295 17.134 ( -2.795 0.000 1.545) 3.193 17.227 ( 0.491 0.000 -0.393) 0.629 17.316 ( -0.973 0.000 -1.379) 1.688 17.415 ( -0.354 0.000 1.212) 1.263 17.430 ( 0.909 0.000 1.885) 2.092 17.738 ( 0.018 0.000 0.387) 0.388 17.822 ( -6.762 0.000 -0.195) 6.765 17.990 ( 1.530 0.000 -3.134) 3.488 18.077 ( 3.759 0.000 -4.430) 5.810 18.117 ( 2.113 0.000 2.629) 3.374 18.307 ( -0.613 0.000 -1.041) 1.208 18.557 ( -2.897 0.000 -0.011) 2.897 18.688 ( 0.869 0.000 -3.479) 3.586 18.788 ( 0.804 0.000 4.081) 4.160 19.001 ( 1.033 0.000 1.012) 1.446 20.610 ( -0.785 0.000 0.360) 0.864 20.618 ( 0.641 0.000 0.012) 0.642 20.681 ( -0.197 0.000 2.001) 2.010 20.914 ( 9.309 0.000 -2.007) 9.523 21.487 ( -0.280 0.000 1.012) 1.050 21.496 ( -2.001 0.000 0.229) 2.015 21.542 ( -0.019 0.000 -0.675) 0.675 21.556 ( 0.617 0.000 -0.045) 0.619 27.410 ( -1.041 0.000 0.600) 1.202 27.428 ( -0.196 0.000 0.368) 0.417 27.448 ( -0.349 0.000 0.038) 0.351 27.494 ( 5.842 0.000 -0.742) 5.889 27.749 ( 0.100 0.000 -0.240) 0.260 27.762 ( -0.064 0.000 -0.708) 0.711 27.817 ( -1.672 0.000 0.432) 1.727 27.825 ( -0.104 0.000 0.562) 0.571 35.202 ( -2.184 0.000 0.175) 2.191 35.253 ( 8.029 0.000 -0.803) 8.069 35.602 ( -0.001 0.000 2.689) 2.689 35.677 ( -2.198 0.000 2.073) 3.021 36.155 ( 1.178 0.000 -1.145) 1.643 36.258 ( 4.039 0.000 -5.283) 6.650 36.532 ( 0.019 0.000 6.067) 6.067 36.782 ( -1.493 0.000 -0.249) 1.514 39.541 ( -3.984 0.000 6.922) 7.986 39.951 ( 4.052 0.000 2.595) 4.812 40.170 ( -23.355 0.000 0.056) 23.355 40.300 ( 4.303 0.000 -4.621) 6.314 40.543 ( -3.632 0.000 -1.139) 3.806 40.720 ( -9.162 0.000 -4.823) 10.354 41.293 ( -1.966 0.000 3.724) 4.211 41.665 ( -1.149 0.000 -2.809) 3.035 ======================= Grid point 46 (17/80) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 14.275 0.000 20.863) 25.279 1.072 ( 21.305 0.000 19.868) 29.132 1.620 ( 16.537 0.000 27.276) 31.898 2.143 ( 5.227 0.000 -10.377) 11.620 2.214 ( 3.665 0.000 -18.024) 18.393 2.428 ( 2.210 0.000 -3.804) 4.400 2.549 ( -9.528 0.000 4.892) 10.710 2.637 ( -10.027 0.000 -9.078) 13.526 2.668 ( -3.019 0.000 0.102) 3.020 2.967 ( 0.291 0.000 2.838) 2.853 2.994 ( -6.364 0.000 5.814) 8.620 3.063 ( -3.360 0.000 4.909) 5.949 3.066 ( 6.057 0.000 -1.218) 6.178 3.122 ( -2.185 0.000 0.748) 2.310 3.188 ( -3.680 0.000 5.613) 6.712 3.218 ( 0.131 0.000 0.018) 0.132 3.448 ( -0.614 0.000 -5.324) 5.359 3.460 ( -2.945 0.000 2.760) 4.036 3.515 ( 0.110 0.000 -4.583) 4.585 3.630 ( 4.676 0.000 3.057) 5.587 3.689 ( 4.444 0.000 0.613) 4.486 3.762 ( 10.128 0.000 0.595) 10.146 3.916 ( 4.952 0.000 -4.269) 6.538 3.966 ( -1.787 0.000 5.560) 5.840 4.155 ( -0.510 0.000 -0.997) 1.120 4.189 ( 1.230 0.000 1.087) 1.641 4.237 ( -0.734 0.000 -6.082) 6.126 4.238 ( -3.134 0.000 -4.967) 5.873 4.291 ( -0.687 0.000 3.062) 3.138 4.505 ( -8.315 0.000 0.214) 8.318 4.554 ( 1.180 0.000 -5.193) 5.325 4.679 ( 3.485 0.000 3.667) 5.059 4.775 ( -3.543 0.000 -1.433) 3.822 4.862 ( -2.469 0.000 -1.270) 2.777 4.991 ( 0.129 0.000 2.377) 2.381 5.206 ( 3.933 0.000 4.277) 5.810 5.379 ( -9.909 0.000 -1.812) 10.073 5.384 ( 2.574 0.000 5.955) 6.488 5.496 ( 2.373 0.000 0.779) 2.498 5.526 ( -3.853 0.000 -1.573) 4.162 5.571 ( 4.973 0.000 -9.311) 10.556 5.669 ( -5.240 0.000 -3.846) 6.499 5.694 ( -3.975 0.000 3.255) 5.138 5.830 ( -1.257 0.000 -1.689) 2.105 5.896 ( 0.221 0.000 -4.514) 4.520 5.973 ( 5.081 0.000 -4.298) 6.655 6.100 ( 2.149 0.000 3.279) 3.921 6.148 ( -2.072 0.000 0.465) 2.124 6.200 ( -2.719 0.000 -1.191) 2.968 6.252 ( 4.391 0.000 9.565) 10.524 6.283 ( -0.427 0.000 3.970) 3.993 6.437 ( 0.302 0.000 1.190) 1.228 6.497 ( -3.704 0.000 1.382) 3.954 6.574 ( 0.110 0.000 7.193) 7.193 6.717 ( -0.214 0.000 -1.571) 1.585 6.761 ( 8.195 0.000 2.720) 8.635 6.833 ( -0.579 0.000 0.345) 0.674 6.867 ( -4.058 0.000 -3.430) 5.314 6.920 ( 5.271 0.000 -0.594) 5.304 6.981 ( 3.121 0.000 -3.382) 4.602 7.054 ( 3.019 0.000 2.556) 3.955 7.129 ( 0.946 0.000 5.822) 5.898 7.169 ( 0.614 0.000 0.238) 0.659 7.271 ( -10.848 0.000 6.082) 12.437 7.307 ( -3.993 0.000 1.126) 4.148 7.392 ( -0.012 0.000 -5.263) 5.263 7.421 ( -3.844 0.000 -0.675) 3.903 7.488 ( -5.608 0.000 3.597) 6.663 7.512 ( 0.176 0.000 -2.714) 2.720 7.678 ( -1.857 0.000 7.695) 7.916 7.746 ( 0.974 0.000 -1.846) 2.087 7.798 ( 5.447 0.000 5.962) 8.076 7.877 ( 1.320 0.000 -0.396) 1.378 7.913 ( 0.960 0.000 -0.055) 0.962 7.927 ( -6.206 0.000 -0.231) 6.210 7.952 ( 0.734 0.000 -1.791) 1.935 8.060 ( -2.684 0.000 -4.058) 4.865 8.145 ( 3.832 0.000 -1.537) 4.129 8.216 ( 1.095 0.000 -5.069) 5.186 8.318 ( -1.020 0.000 0.528) 1.149 8.354 ( -0.188 0.000 4.506) 4.510 8.548 ( 0.191 0.000 4.996) 5.000 8.561 ( 5.954 0.000 7.561) 9.624 8.659 ( 4.493 0.000 -8.267) 9.409 8.871 ( -7.498 0.000 -4.315) 8.651 8.976 ( -7.431 0.000 -1.938) 7.680 8.988 ( -2.945 0.000 5.286) 6.051 9.185 ( 2.953 0.000 -2.525) 3.885 9.336 ( 4.385 0.000 -1.531) 4.644 9.647 ( -0.168 0.000 -1.367) 1.377 9.703 ( -3.142 0.000 0.998) 3.296 9.937 ( -3.119 0.000 -5.812) 6.596 10.063 ( 1.129 0.000 0.749) 1.355 10.334 ( 14.678 0.000 -8.108) 16.769 10.707 ( 0.248 0.000 1.287) 1.310 10.838 ( 6.225 0.000 -9.325) 11.212 11.182 ( 5.010 0.000 0.779) 5.070 11.582 ( 2.418 0.000 -6.369) 6.812 11.866 ( -7.106 0.000 10.198) 12.430 12.457 ( -2.906 0.000 11.108) 11.481 12.708 ( -0.179 0.000 -2.286) 2.293 12.859 ( 2.897 0.000 -6.296) 6.930 13.339 ( -19.889 0.000 10.747) 22.607 13.594 ( -2.255 0.000 3.056) 3.798 15.195 ( -3.025 0.000 0.698) 3.104 15.839 ( 1.501 0.000 -11.064) 11.165 16.269 ( -0.251 0.000 0.572) 0.625 16.302 ( -1.487 0.000 1.649) 2.221 17.053 ( -3.329 0.000 1.450) 3.631 17.108 ( -1.573 0.000 3.624) 3.951 17.156 ( -4.767 0.000 -0.826) 4.838 17.335 ( 3.201 0.000 -0.387) 3.224 17.424 ( 0.106 0.000 1.168) 1.173 17.527 ( 5.482 0.000 1.208) 5.613 17.721 ( -2.286 0.000 0.305) 2.306 17.762 ( -1.749 0.000 -0.256) 1.768 18.006 ( 2.802 0.000 -2.961) 4.077 18.127 ( 5.259 0.000 -3.318) 6.218 18.134 ( -1.418 0.000 1.000) 1.735 18.266 ( -2.143 0.000 -1.677) 2.721 18.494 ( -3.637 0.000 1.075) 3.793 18.689 ( 2.841 0.000 -4.196) 5.068 18.852 ( 1.465 0.000 3.010) 3.348 19.058 ( 3.177 0.000 1.241) 3.411 20.596 ( -0.851 0.000 -0.186) 0.871 20.633 ( 0.639 0.000 0.253) 0.687 20.693 ( -0.901 0.000 1.971) 2.167 20.832 ( -7.744 0.000 1.865) 7.966 21.462 ( -1.248 0.000 0.971) 1.581 21.503 ( 0.220 0.000 0.654) 0.690 21.535 ( -0.040 0.000 -0.469) 0.470 21.566 ( 0.472 0.000 -0.235) 0.527 27.367 ( -2.502 0.000 0.320) 2.522 27.447 ( 0.383 0.000 -0.266) 0.466 27.453 ( 1.291 0.000 0.251) 1.315 27.544 ( 0.822 0.000 -0.985) 1.283 27.751 ( 0.274 0.000 -0.166) 0.321 27.757 ( 0.348 0.000 -0.718) 0.798 27.805 ( -0.464 0.000 0.634) 0.785 27.820 ( -0.936 0.000 0.491) 1.057 35.187 ( 1.074 0.000 -0.338) 1.126 35.552 ( 17.416 0.000 -10.247) 20.207 35.637 ( -0.135 0.000 2.914) 2.917 35.654 ( -1.446 0.000 1.969) 2.443 36.154 ( 0.168 0.000 -1.049) 1.062 36.243 ( 0.337 0.000 -5.705) 5.715 36.639 ( 3.071 0.000 5.424) 6.233 36.733 ( -2.226 0.000 -1.309) 2.582 39.496 ( -7.188 0.000 7.419) 10.330 39.770 ( -11.862 0.000 8.203) 14.422 40.101 ( 6.222 0.000 5.871) 8.555 40.377 ( 5.320 0.000 -2.883) 6.051 40.425 ( -4.055 0.000 -3.970) 5.675 40.899 ( 14.988 0.000 -9.215) 17.594 41.321 ( -0.741 0.000 5.162) 5.215 41.587 ( -2.753 0.000 -3.688) 4.602 ======================= Grid point 47 (18/80) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.359 0.000 8.997) 9.004 1.487 ( -3.353 0.000 10.052) 10.596 1.827 ( 2.352 0.000 -11.667) 11.901 2.159 ( 6.287 0.000 -10.515) 12.251 2.160 ( 8.387 0.000 -12.033) 14.667 2.328 ( -3.771 0.000 -1.494) 4.056 2.524 ( 4.334 0.000 -1.752) 4.675 2.534 ( -3.808 0.000 15.784) 16.237 2.632 ( -2.702 0.000 0.092) 2.703 2.957 ( -4.330 0.000 10.162) 11.046 2.973 ( -3.559 0.000 -2.655) 4.440 3.019 ( -0.603 0.000 3.079) 3.137 3.089 ( -0.532 0.000 0.053) 0.535 3.171 ( 2.842 0.000 1.118) 3.054 3.218 ( -0.499 0.000 4.201) 4.231 3.239 ( -1.953 0.000 3.386) 3.909 3.387 ( 0.743 0.000 -4.686) 4.744 3.446 ( -2.110 0.000 5.096) 5.516 3.470 ( 0.961 0.000 -3.196) 3.338 3.670 ( -0.756 0.000 -0.226) 0.789 3.767 ( 1.957 0.000 -1.402) 2.407 3.923 ( 8.401 0.000 -4.563) 9.560 3.976 ( -0.450 0.000 3.472) 3.501 4.028 ( 8.136 0.000 -2.775) 8.596 4.082 ( -6.281 0.000 -3.689) 7.285 4.147 ( -0.516 0.000 -4.652) 4.680 4.194 ( -1.708 0.000 -0.283) 1.732 4.226 ( 2.748 0.000 0.962) 2.911 4.299 ( -3.464 0.000 0.315) 3.479 4.366 ( -3.015 0.000 6.226) 6.918 4.531 ( 2.261 0.000 -5.185) 5.656 4.739 ( -0.381 0.000 3.178) 3.200 4.774 ( 1.578 0.000 2.654) 3.088 4.813 ( -3.220 0.000 3.120) 4.484 5.019 ( 1.130 0.000 0.299) 1.168 5.212 ( -4.268 0.000 2.481) 4.937 5.310 ( 2.144 0.000 1.968) 2.911 5.424 ( -3.974 0.000 3.384) 5.220 5.456 ( -2.109 0.000 -3.454) 4.047 5.554 ( -0.084 0.000 0.563) 0.569 5.557 ( 0.748 0.000 -3.861) 3.933 5.604 ( 6.784 0.000 -11.945) 13.736 5.647 ( -1.390 0.000 2.684) 3.023 5.770 ( -1.333 0.000 -1.829) 2.263 5.896 ( 4.282 0.000 -5.784) 7.197 6.000 ( 1.190 0.000 -2.278) 2.570 6.144 ( 0.501 0.000 1.801) 1.870 6.151 ( 0.145 0.000 4.601) 4.603 6.237 ( -2.037 0.000 3.677) 4.203 6.249 ( 5.935 0.000 4.982) 7.749 6.357 ( -9.493 0.000 -0.784) 9.525 6.368 ( -7.879 0.000 -1.961) 8.119 6.458 ( 2.389 0.000 7.026) 7.421 6.669 ( 2.283 0.000 4.407) 4.963 6.722 ( -7.400 0.000 -1.781) 7.611 6.725 ( 3.069 0.000 -0.084) 3.070 6.809 ( -1.525 0.000 -0.364) 1.568 6.952 ( 4.627 0.000 5.508) 7.194 7.028 ( 2.149 0.000 -2.612) 3.382 7.035 ( 5.949 0.000 -1.689) 6.184 7.086 ( -3.773 0.000 0.468) 3.802 7.168 ( 0.768 0.000 2.799) 2.903 7.169 ( -0.042 0.000 -3.354) 3.355 7.240 ( -0.228 0.000 8.238) 8.241 7.252 ( -2.482 0.000 2.159) 3.290 7.320 ( -0.681 0.000 -5.117) 5.162 7.370 ( 0.495 0.000 -2.590) 2.637 7.461 ( -3.630 0.000 4.568) 5.834 7.510 ( 1.717 0.000 -1.520) 2.293 7.660 ( 0.097 0.000 -3.521) 3.522 7.724 ( -4.212 0.000 7.178) 8.323 7.775 ( -5.485 0.000 -4.313) 6.978 7.882 ( -2.350 0.000 -1.050) 2.574 7.890 ( -0.562 0.000 2.061) 2.136 7.922 ( 1.437 0.000 -1.615) 2.161 7.989 ( 6.008 0.000 -3.663) 7.037 8.049 ( 1.383 0.000 6.919) 7.056 8.127 ( -1.138 0.000 -2.695) 2.926 8.240 ( 2.059 0.000 -0.051) 2.060 8.322 ( -0.002 0.000 1.794) 1.794 8.397 ( -0.434 0.000 1.277) 1.349 8.597 ( -1.423 0.000 3.639) 3.907 8.610 ( -1.288 0.000 -9.480) 9.567 8.719 ( 1.049 0.000 -2.569) 2.775 8.789 ( 5.281 0.000 5.100) 7.342 8.826 ( -3.375 0.000 -1.413) 3.658 8.948 ( -5.187 0.000 2.537) 5.774 9.220 ( 2.572 0.000 -0.487) 2.617 9.342 ( 0.772 0.000 -6.169) 6.218 9.630 ( 0.000 0.000 -0.144) 0.144 9.665 ( -1.900 0.000 2.496) 3.137 9.910 ( 2.561 0.000 -2.497) 3.577 10.126 ( 1.263 0.000 6.280) 6.406 10.453 ( 7.720 0.000 -14.984) 16.856 10.691 ( -1.569 0.000 -2.347) 2.823 10.855 ( 3.910 0.000 -1.361) 4.140 11.269 ( 6.055 0.000 -4.988) 7.845 11.561 ( 2.201 0.000 -6.052) 6.440 11.852 ( -5.181 0.000 10.847) 12.021 12.554 ( -2.907 0.000 20.025) 20.235 12.702 ( 1.364 0.000 -0.886) 1.627 12.835 ( 2.499 0.000 -8.877) 9.222 13.130 ( -12.827 0.000 8.437) 15.353 13.585 ( -2.198 0.000 3.901) 4.477 15.144 ( -1.703 0.000 -0.605) 1.808 15.747 ( 0.770 0.000 -10.671) 10.698 16.280 ( -0.145 0.000 2.107) 2.112 16.304 ( -0.176 0.000 1.303) 1.315 17.015 ( -1.619 0.000 1.007) 1.906 17.084 ( -1.625 0.000 -0.537) 1.711 17.119 ( -1.596 0.000 4.063) 4.365 17.397 ( 2.497 0.000 0.359) 2.522 17.437 ( -0.281 0.000 1.008) 1.047 17.618 ( 3.397 0.000 -0.747) 3.478 17.661 ( -3.607 0.000 -0.325) 3.622 17.736 ( -0.036 0.000 -0.569) 0.570 18.030 ( 1.870 0.000 -1.666) 2.504 18.114 ( -1.272 0.000 1.158) 1.720 18.191 ( 0.691 0.000 -1.708) 1.843 18.215 ( 2.694 0.000 -3.254) 4.224 18.454 ( -2.590 0.000 3.621) 4.452 18.700 ( 2.795 0.000 -4.889) 5.631 18.887 ( -0.357 0.000 1.121) 1.177 19.108 ( 1.037 0.000 -0.712) 1.258 20.574 ( -0.824 0.000 -0.911) 1.228 20.645 ( 0.305 0.000 0.341) 0.458 20.679 ( -1.599 0.000 0.125) 1.604 20.730 ( -4.560 0.000 0.661) 4.607 21.457 ( -0.420 0.000 0.994) 1.079 21.508 ( -0.141 0.000 0.351) 0.378 21.532 ( 0.131 0.000 -0.311) 0.338 21.567 ( 0.176 0.000 -0.662) 0.685 27.338 ( -0.889 0.000 0.732) 1.152 27.455 ( 0.765 0.000 -0.445) 0.885 27.475 ( 0.566 0.000 0.374) 0.679 27.535 ( -0.782 0.000 -0.500) 0.928 27.755 ( 0.222 0.000 -0.104) 0.245 27.764 ( 1.025 0.000 -0.491) 1.136 27.803 ( -1.211 0.000 0.443) 1.290 27.805 ( -0.171 0.000 0.577) 0.602 35.228 ( 1.977 0.000 1.411) 2.428 35.621 ( 0.803 0.000 -1.592) 1.783 35.642 ( -1.722 0.000 2.286) 2.862 35.749 ( 7.496 0.000 -1.616) 7.669 36.143 ( 0.135 0.000 -2.094) 2.098 36.187 ( 0.856 0.000 -6.511) 6.567 36.698 ( 0.024 0.000 -0.216) 0.218 36.717 ( -0.289 0.000 4.141) 4.151 39.466 ( -3.722 0.000 7.715) 8.566 39.706 ( -3.876 0.000 4.790) 6.162 40.195 ( -3.361 0.000 -6.926) 7.698 40.308 ( 2.302 0.000 4.010) 4.623 40.490 ( 3.458 0.000 0.051) 3.459 41.045 ( 9.782 0.000 -7.695) 12.446 41.363 ( -1.387 0.000 7.728) 7.851 41.532 ( 0.593 0.000 -0.996) 1.159 ======================= Grid point 48 (19/80) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -26.375 0.000 -12.706) 29.276 1.087 ( -23.093 0.000 0.788) 23.107 1.696 ( -22.346 0.000 1.335) 22.386 2.112 ( 4.353 0.000 -13.709) 14.383 2.251 ( 12.899 0.000 -7.869) 15.110 2.478 ( 8.056 0.000 9.284) 12.291 2.562 ( -4.495 0.000 -0.019) 4.495 2.621 ( 2.086 0.000 7.753) 8.028 2.642 ( 7.998 0.000 -1.676) 8.171 2.888 ( 0.250 0.000 -2.241) 2.255 2.968 ( -4.296 0.000 6.074) 7.440 3.034 ( 0.516 0.000 -1.238) 1.342 3.112 ( 1.748 0.000 2.183) 2.796 3.146 ( -8.804 0.000 3.598) 9.511 3.201 ( -1.240 0.000 2.606) 2.886 3.236 ( -0.843 0.000 2.137) 2.297 3.425 ( 4.759 0.000 -1.311) 4.936 3.483 ( -0.409 0.000 6.543) 6.556 3.499 ( 3.052 0.000 -1.133) 3.255 3.609 ( -3.307 0.000 -2.472) 4.128 3.718 ( -3.876 0.000 -3.094) 4.959 3.877 ( -9.067 0.000 -5.398) 10.553 4.011 ( 7.415 0.000 -5.838) 9.437 4.029 ( -2.497 0.000 7.969) 8.351 4.050 ( -1.333 0.000 -7.514) 7.631 4.122 ( 2.058 0.000 -1.122) 2.344 4.180 ( -1.394 0.000 3.034) 3.339 4.289 ( 2.361 0.000 1.017) 2.571 4.308 ( 4.582 0.000 4.386) 6.343 4.471 ( 4.462 0.000 3.692) 5.791 4.538 ( 3.721 0.000 -5.284) 6.463 4.772 ( -0.658 0.000 -0.690) 0.953 4.804 ( -3.803 0.000 5.075) 6.342 4.810 ( 2.729 0.000 4.316) 5.107 5.031 ( -0.165 0.000 -0.055) 0.174 5.281 ( 4.691 0.000 5.490) 7.221 5.296 ( -6.674 0.000 -0.820) 6.724 5.335 ( -2.078 0.000 1.641) 2.648 5.427 ( 3.104 0.000 -0.470) 3.140 5.540 ( -1.265 0.000 -1.885) 2.270 5.570 ( 3.874 0.000 -2.991) 4.894 5.616 ( -2.875 0.000 1.036) 3.056 5.636 ( 8.412 0.000 -10.458) 13.422 5.803 ( 3.239 0.000 1.013) 3.393 5.906 ( 2.901 0.000 -5.530) 6.244 6.004 ( -0.169 0.000 0.122) 0.209 6.141 ( -9.935 0.000 -1.825) 10.101 6.153 ( -4.839 0.000 -4.894) 6.882 6.209 ( -4.109 0.000 6.514) 7.702 6.225 ( 3.571 0.000 5.384) 6.461 6.308 ( 1.733 0.000 7.615) 7.810 6.426 ( 6.068 0.000 3.525) 7.017 6.523 ( -0.147 0.000 2.004) 2.009 6.568 ( -7.939 0.000 0.504) 7.955 6.718 ( 1.596 0.000 -2.630) 3.076 6.725 ( -3.115 0.000 -1.770) 3.583 6.826 ( 2.869 0.000 1.776) 3.374 6.954 ( -2.004 0.000 -5.136) 5.513 6.963 ( -6.883 0.000 6.229) 9.283 7.065 ( -0.590 0.000 1.624) 1.728 7.101 ( -1.428 0.000 -4.323) 4.553 7.139 ( 2.378 0.000 2.137) 3.198 7.141 ( -4.127 0.000 0.850) 4.214 7.214 ( -4.222 0.000 0.612) 4.266 7.287 ( -4.852 0.000 6.183) 7.859 7.294 ( 2.986 0.000 -2.800) 4.094 7.420 ( 3.396 0.000 1.310) 3.640 7.432 ( 1.104 0.000 -0.324) 1.151 7.551 ( 2.148 0.000 1.200) 2.460 7.645 ( -0.323 0.000 -4.223) 4.235 7.688 ( -4.098 0.000 4.074) 5.779 7.691 ( 1.574 0.000 -3.528) 3.863 7.872 ( 1.785 0.000 -2.293) 2.906 7.882 ( 0.041 0.000 -1.907) 1.908 8.003 ( 4.737 0.000 2.255) 5.246 8.003 ( 1.286 0.000 -2.824) 3.103 8.141 ( 0.376 0.000 8.747) 8.755 8.148 ( 5.331 0.000 -6.083) 8.088 8.213 ( -2.945 0.000 1.914) 3.513 8.354 ( 0.164 0.000 3.857) 3.861 8.382 ( -2.431 0.000 3.173) 3.997 8.491 ( -2.439 0.000 -3.246) 4.060 8.538 ( -5.339 0.000 1.680) 5.597 8.748 ( 1.935 0.000 -3.420) 3.929 8.859 ( 5.254 0.000 -1.248) 5.401 8.867 ( -2.004 0.000 -2.608) 3.289 8.905 ( 3.620 0.000 2.661) 4.493 9.250 ( -0.294 0.000 0.856) 0.905 9.279 ( 0.554 0.000 -7.707) 7.727 9.637 ( 1.073 0.000 -1.537) 1.875 9.693 ( 0.681 0.000 4.245) 4.299 9.963 ( 3.336 0.000 2.564) 4.207 10.198 ( -2.595 0.000 8.099) 8.505 10.341 ( -1.102 0.000 -16.461) 16.498 10.621 ( -0.283 0.000 -5.464) 5.471 10.954 ( 4.867 0.000 1.213) 5.016 11.301 ( 4.816 0.000 -10.888) 11.906 11.556 ( 3.466 0.000 -5.501) 6.502 11.877 ( -4.092 0.000 11.266) 11.986 12.735 ( 1.673 0.000 0.698) 1.813 12.739 ( -2.855 0.000 14.185) 14.469 12.804 ( 4.882 0.000 2.456) 5.465 13.011 ( -8.702 0.000 10.869) 13.924 13.589 ( -1.481 0.000 3.705) 3.990 15.137 ( 1.605 0.000 -0.271) 1.628 15.647 ( 1.596 0.000 -15.075) 15.159 16.296 ( -0.616 0.000 2.111) 2.199 16.312 ( -0.730 0.000 1.695) 1.846 17.016 ( 0.717 0.000 0.840) 1.105 17.089 ( 2.529 0.000 -0.325) 2.550 17.122 ( -2.477 0.000 4.295) 4.958 17.408 ( -2.256 0.000 0.980) 2.460 17.429 ( -1.253 0.000 0.745) 1.457 17.575 ( -3.368 0.000 -2.393) 4.131 17.669 ( 2.493 0.000 -0.098) 2.495 17.764 ( 2.933 0.000 0.643) 3.003 18.038 ( 0.224 0.000 -0.568) 0.610 18.118 ( 0.504 0.000 0.633) 0.809 18.134 ( -1.170 0.000 -4.341) 4.496 18.274 ( 3.448 0.000 -1.512) 3.765 18.483 ( 0.576 0.000 5.947) 5.975 18.698 ( 1.473 0.000 -3.090) 3.424 18.856 ( -3.027 0.000 -0.576) 3.082 19.074 ( -2.121 0.000 -3.540) 4.126 20.544 ( -0.908 0.000 -1.953) 2.153 20.638 ( -1.231 0.000 -0.870) 1.507 20.658 ( 0.146 0.000 0.093) 0.173 20.662 ( -2.860 0.000 -0.067) 2.861 21.464 ( 0.056 0.000 1.101) 1.102 21.505 ( -0.479 0.000 0.247) 0.539 21.535 ( 0.423 0.000 -0.185) 0.462 21.561 ( 0.000 0.000 -0.933) 0.933 27.348 ( 0.758 0.000 1.223) 1.439 27.462 ( 0.310 0.000 -0.460) 0.555 27.479 ( -0.690 0.000 0.590) 0.908 27.510 ( -0.791 0.000 -1.309) 1.530 27.756 ( -0.058 0.000 -0.072) 0.092 27.780 ( 0.443 0.000 -0.713) 0.840 27.791 ( 0.068 0.000 0.864) 0.867 27.813 ( 0.416 0.000 0.691) 0.806 35.260 ( -1.340 0.000 3.018) 3.302 35.630 ( 1.228 0.000 -0.432) 1.302 35.630 ( -1.829 0.000 1.917) 2.649 35.825 ( 0.700 0.000 -0.929) 1.163 36.122 ( 0.922 0.000 -3.112) 3.246 36.173 ( 6.234 0.000 -8.727) 10.724 36.706 ( -4.059 0.000 1.723) 4.410 36.731 ( 2.183 0.000 1.518) 2.659 39.496 ( -1.823 0.000 7.702) 7.915 39.708 ( -1.967 0.000 8.746) 8.964 40.022 ( -4.753 0.000 -6.743) 8.250 40.371 ( 1.868 0.000 -5.387) 5.702 40.533 ( -0.438 0.000 5.835) 5.851 41.132 ( 6.746 0.000 -6.082) 9.083 41.433 ( -0.468 0.000 10.441) 10.451 41.591 ( 4.071 0.000 1.563) 4.361 ======================= Grid point 49 (20/80) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -22.328 0.000 10.186) 24.541 0.618 ( -27.051 0.000 9.842) 28.786 1.065 ( -44.337 0.000 15.193) 46.867 2.088 ( 4.992 0.000 -8.229) 9.624 2.417 ( 7.987 0.000 -13.911) 16.041 2.503 ( 1.035 0.000 6.284) 6.368 2.614 ( -0.084 0.000 -9.618) 9.618 2.701 ( 4.345 0.000 3.329) 5.473 2.740 ( 3.836 0.000 2.513) 4.586 2.925 ( -3.355 0.000 0.110) 3.357 2.955 ( -1.272 0.000 -0.632) 1.421 3.060 ( 6.210 0.000 5.025) 7.988 3.125 ( 2.626 0.000 5.261) 5.880 3.180 ( 0.858 0.000 4.670) 4.748 3.199 ( -1.654 0.000 2.806) 3.258 3.234 ( -0.864 0.000 1.760) 1.960 3.485 ( -6.231 0.000 0.030) 6.231 3.487 ( 3.775 0.000 -3.531) 5.169 3.530 ( 1.180 0.000 -1.481) 1.893 3.551 ( 1.006 0.000 1.694) 1.970 3.622 ( -2.583 0.000 -2.121) 3.343 3.642 ( -9.973 0.000 -3.144) 10.457 3.968 ( -0.261 0.000 -6.899) 6.904 3.991 ( -5.876 0.000 4.168) 7.205 4.114 ( -1.700 0.000 3.661) 4.037 4.117 ( 4.040 0.000 1.393) 4.273 4.228 ( 2.498 0.000 0.917) 2.661 4.327 ( 1.402 0.000 -1.280) 1.898 4.417 ( 2.792 0.000 -3.102) 4.174 4.555 ( 2.659 0.000 -3.785) 4.625 4.580 ( 3.854 0.000 3.835) 5.437 4.722 ( -3.739 0.000 -2.687) 4.604 4.809 ( 2.592 0.000 1.186) 2.850 4.882 ( 0.902 0.000 0.874) 1.256 5.019 ( -1.376 0.000 1.292) 1.887 5.183 ( -4.734 0.000 2.341) 5.281 5.321 ( -4.065 0.000 2.408) 4.725 5.396 ( 3.148 0.000 5.578) 6.405 5.431 ( -2.548 0.000 -2.372) 3.482 5.609 ( 4.729 0.000 -4.824) 6.755 5.618 ( 9.200 0.000 6.463) 11.243 5.644 ( 2.974 0.000 -0.096) 2.976 5.710 ( 6.845 0.000 -2.742) 7.374 5.890 ( 5.798 0.000 0.903) 5.868 5.906 ( 0.280 0.000 -2.723) 2.737 5.962 ( 0.700 0.000 -5.752) 5.795 5.967 ( -6.710 0.000 -1.283) 6.831 6.025 ( -4.959 0.000 -2.470) 5.541 6.223 ( -3.358 0.000 5.624) 6.550 6.339 ( 2.435 0.000 3.308) 4.107 6.403 ( -0.431 0.000 7.904) 7.916 6.439 ( -6.811 0.000 1.306) 6.935 6.463 ( -2.569 0.000 3.058) 3.994 6.522 ( -1.612 0.000 1.605) 2.274 6.677 ( 0.060 0.000 -7.388) 7.389 6.700 ( 3.461 0.000 -2.346) 4.181 6.843 ( -1.183 0.000 -1.468) 1.885 6.888 ( -3.193 0.000 0.649) 3.259 6.905 ( -2.827 0.000 2.807) 3.983 7.021 ( -3.234 0.000 -1.091) 3.413 7.076 ( -2.032 0.000 -1.390) 2.462 7.129 ( -6.716 0.000 9.111) 11.319 7.167 ( -2.485 0.000 4.940) 5.530 7.197 ( 10.090 0.000 -4.996) 11.259 7.227 ( -2.141 0.000 7.688) 7.980 7.357 ( 4.030 0.000 -0.938) 4.137 7.442 ( 0.762 0.000 -2.639) 2.747 7.512 ( 6.571 0.000 -0.233) 6.575 7.595 ( -0.027 0.000 -1.262) 1.262 7.637 ( 2.821 0.000 5.750) 6.404 7.650 ( -1.340 0.000 -1.067) 1.713 7.793 ( 5.297 0.000 5.603) 7.710 7.809 ( -2.848 0.000 -6.318) 6.930 7.866 ( 2.551 0.000 -0.087) 2.552 7.992 ( 1.016 0.000 -3.645) 3.784 8.047 ( -2.796 0.000 4.442) 5.249 8.146 ( 3.014 0.000 -4.523) 5.435 8.251 ( 2.220 0.000 -3.438) 4.092 8.281 ( -1.829 0.000 7.579) 7.797 8.328 ( -3.756 0.000 -0.685) 3.818 8.405 ( 1.498 0.000 6.102) 6.283 8.456 ( -1.076 0.000 2.898) 3.091 8.495 ( -2.116 0.000 5.547) 5.937 8.736 ( 1.918 0.000 -6.645) 6.916 8.830 ( 2.260 0.000 -1.582) 2.759 8.907 ( 2.386 0.000 -5.110) 5.640 9.011 ( 4.613 0.000 1.521) 4.857 9.215 ( -4.063 0.000 0.371) 4.080 9.219 ( 0.669 0.000 -6.877) 6.910 9.621 ( 1.254 0.000 -6.495) 6.615 9.742 ( -0.148 0.000 3.299) 3.303 10.112 ( 3.702 0.000 5.447) 6.585 10.159 ( -5.264 0.000 0.836) 5.330 10.173 ( 1.296 0.000 -0.936) 1.599 10.616 ( 2.730 0.000 -0.931) 2.884 11.006 ( 0.033 0.000 -11.403) 11.403 11.159 ( -7.497 0.000 -13.624) 15.550 11.575 ( 4.043 0.000 -5.672) 6.965 11.905 ( -4.935 0.000 10.971) 12.030 12.634 ( -3.590 0.000 -12.585) 13.087 12.759 ( 0.065 0.000 0.178) 0.190 12.884 ( 0.229 0.000 -4.407) 4.413 13.405 ( 18.691 0.000 52.581) 55.804 13.599 ( -0.918 0.000 2.676) 2.829 15.186 ( 2.303 0.000 1.224) 2.608 15.490 ( -0.385 0.000 -13.380) 13.386 16.294 ( -0.947 0.000 0.586) 1.114 16.312 ( -1.342 0.000 2.951) 3.241 17.056 ( 2.259 0.000 1.496) 2.709 17.115 ( -2.320 0.000 4.463) 5.030 17.162 ( 4.980 0.000 -0.519) 5.007 17.356 ( -3.052 0.000 0.609) 3.112 17.416 ( -0.844 0.000 0.959) 1.277 17.482 ( -4.593 0.000 -0.721) 4.649 17.716 ( 1.981 0.000 0.142) 1.986 17.850 ( 4.492 0.000 1.213) 4.653 18.037 ( -0.179 0.000 0.845) 0.863 18.080 ( 0.987 0.000 -5.247) 5.339 18.109 ( -1.776 0.000 -3.275) 3.726 18.308 ( 1.373 0.000 -0.798) 1.588 18.561 ( 0.807 0.000 4.271) 4.347 18.706 ( 0.946 0.000 -0.655) 1.150 18.784 ( -3.095 0.000 0.318) 3.111 18.991 ( -1.350 0.000 -2.677) 2.998 20.543 ( 2.921 0.000 7.766) 8.297 20.615 ( -0.070 0.000 -0.804) 0.807 20.625 ( -1.455 0.000 0.674) 1.603 20.666 ( 0.074 0.000 1.073) 1.075 21.478 ( 0.175 0.000 0.795) 0.814 21.501 ( -0.153 0.000 0.742) 0.758 21.543 ( 0.580 0.000 -0.194) 0.612 21.551 ( 0.002 0.000 -0.768) 0.768 27.382 ( 1.423 0.000 1.052) 1.770 27.454 ( -0.442 0.000 -0.857) 0.964 27.460 ( -1.924 0.000 0.618) 2.021 27.476 ( -1.116 0.000 -1.945) 2.242 27.752 ( -0.152 0.000 -0.144) 0.209 27.771 ( -0.239 0.000 -0.494) 0.549 27.813 ( 0.761 0.000 0.591) 0.964 27.830 ( 0.567 0.000 0.155) 0.588 35.243 ( -3.042 0.000 2.458) 3.911 35.604 ( -2.275 0.000 1.597) 2.779 35.621 ( -3.355 0.000 -13.150) 13.571 35.712 ( -6.678 0.000 -4.377) 7.985 36.132 ( 2.533 0.000 -2.044) 3.255 36.231 ( 7.234 0.000 -8.869) 11.445 36.591 ( -7.715 0.000 -0.710) 7.748 36.782 ( 0.939 0.000 1.350) 1.645 39.528 ( -2.322 0.000 6.677) 7.069 39.888 ( 8.555 0.000 20.145) 21.886 39.918 ( -0.624 0.000 -2.842) 2.909 40.314 ( 0.417 0.000 -6.473) 6.487 40.576 ( -0.967 0.000 3.289) 3.429 41.177 ( 4.095 0.000 -7.955) 8.947 41.508 ( -2.810 0.000 -3.096) 4.181 41.668 ( 2.335 0.000 0.004) 2.335 ======================= Grid point 50 (21/80) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.725 22.009 18.178) 28.555 0.909 ( -0.016 19.746 24.928) 31.801 1.384 ( 2.399 41.509 24.306) 48.161 2.152 ( 5.295 2.408 -4.340) 7.257 2.313 ( -0.934 1.168 -11.465) 11.562 2.572 ( 2.167 5.208 -6.649) 8.720 2.623 ( 0.183 2.257 -2.626) 3.468 2.805 ( -4.635 0.139 -1.063) 4.757 2.835 ( 6.126 2.090 -3.537) 7.376 2.856 ( -2.624 2.956 -2.056) 4.455 2.990 ( -0.115 0.860 5.946) 6.009 3.104 ( -1.848 -2.426 1.116) 3.248 3.123 ( -3.876 -0.067 4.532) 5.964 3.218 ( -1.676 2.049 3.930) 4.739 3.255 ( -1.532 5.804 -1.077) 6.099 3.291 ( -3.006 0.759 -0.318) 3.117 3.359 ( 0.702 -1.332 1.636) 2.224 3.479 ( 4.314 -0.913 -1.734) 4.738 3.534 ( 1.185 0.573 -0.785) 1.533 3.589 ( -3.210 3.206 0.503) 4.564 3.633 ( 3.361 5.316 -1.809) 6.544 3.646 ( 3.786 2.180 1.429) 4.597 3.881 ( 0.219 -2.003 -4.447) 4.882 4.024 ( -1.960 4.515 5.864) 7.656 4.105 ( -1.597 -1.295 0.418) 2.099 4.201 ( 1.002 0.382 0.200) 1.091 4.231 ( 1.782 1.130 -3.089) 3.741 4.367 ( 0.248 1.722 4.308) 4.646 4.396 ( -1.647 2.873 -4.244) 5.383 4.575 ( -0.793 -0.732 0.810) 1.349 4.610 ( -1.441 3.779 0.395) 4.063 4.663 ( -2.563 0.709 -2.745) 3.822 4.863 ( 1.097 0.705 -3.677) 3.901 4.889 ( -0.260 -0.060 -3.036) 3.048 5.014 ( -0.061 1.070 0.643) 1.250 5.129 ( -2.626 -0.855 4.696) 5.448 5.282 ( 1.618 -4.632 -1.621) 5.168 5.359 ( 1.378 -0.994 0.952) 1.948 5.455 ( -4.523 -2.148 3.478) 6.097 5.558 ( -1.963 -5.926 1.246) 6.365 5.634 ( -0.258 -5.899 0.748) 5.951 5.687 ( 0.368 1.389 -7.466) 7.603 5.772 ( -0.631 -3.714 -2.777) 4.680 5.842 ( -0.303 -3.995 -3.821) 5.537 5.867 ( 5.697 -2.979 -0.365) 6.440 5.968 ( 0.880 3.718 -0.965) 3.941 6.027 ( 3.349 1.223 3.312) 4.866 6.078 ( 0.093 4.741 -0.707) 4.794 6.214 ( -2.706 1.270 1.966) 3.578 6.266 ( -2.753 -3.009 -2.057) 4.567 6.353 ( -3.456 1.917 -0.351) 3.967 6.408 ( 0.680 0.641 2.363) 2.541 6.552 ( -2.355 2.071 7.113) 7.774 6.589 ( -1.423 7.296 0.869) 7.485 6.657 ( 0.835 4.189 0.657) 4.321 6.733 ( 0.142 -0.640 -1.509) 1.645 6.784 ( 3.287 -2.143 1.770) 4.305 6.844 ( 1.133 0.209 -0.007) 1.152 6.928 ( 2.043 -2.788 3.060) 4.616 6.988 ( 0.069 1.477 -1.846) 2.365 7.035 ( 2.709 2.125 2.007) 3.985 7.091 ( -1.567 -1.225 5.133) 5.505 7.181 ( -1.544 2.178 5.196) 5.842 7.233 ( -1.764 -6.128 0.853) 6.433 7.356 ( 0.268 -0.600 -1.145) 1.320 7.412 ( -0.586 -2.653 0.861) 2.850 7.454 ( 1.120 1.343 -2.853) 3.346 7.495 ( 1.104 -2.305 0.255) 2.568 7.568 ( 2.223 -0.715 0.198) 2.343 7.637 ( -4.952 -0.096 -0.884) 5.032 7.749 ( -1.170 2.541 3.675) 4.618 7.786 ( 3.891 -0.238 2.247) 4.499 7.825 ( -4.549 -0.256 0.755) 4.618 7.875 ( 2.966 -0.845 0.737) 3.171 7.912 ( 1.057 -3.272 -1.485) 3.746 7.990 ( -7.525 -1.643 1.641) 7.876 8.056 ( 2.210 -0.946 -1.607) 2.891 8.186 ( -0.193 -1.267 -0.161) 1.292 8.246 ( 0.053 2.942 -1.730) 3.414 8.336 ( 0.845 0.751 -0.229) 1.154 8.399 ( -4.471 -2.652 3.468) 6.249 8.459 ( 0.241 4.489 -4.391) 6.284 8.621 ( 0.352 1.446 -1.235) 1.934 8.628 ( 2.280 -2.729 -3.240) 4.810 8.857 ( 2.902 -4.154 3.012) 5.895 8.988 ( -0.225 -3.958 2.263) 4.565 9.031 ( 1.586 -2.474 -0.312) 2.955 9.149 ( -0.373 6.649 -2.692) 7.182 9.267 ( 5.195 2.216 -2.689) 6.256 9.623 ( 2.860 -0.023 -4.002) 4.919 9.727 ( -1.968 -1.651 1.290) 2.875 9.914 ( 1.401 -5.085 -0.564) 5.304 10.324 ( -2.202 8.835 -3.823) 9.876 10.453 ( -14.716 6.601 -9.992) 18.973 10.633 ( 2.501 -2.065 1.232) 3.469 10.709 ( 11.204 3.600 2.078) 11.950 11.101 ( -2.080 0.348 5.821) 6.191 11.763 ( 1.990 5.696 -7.336) 9.499 12.009 ( -0.267 10.417 -6.010) 12.029 12.445 ( -4.958 -0.651 0.698) 5.049 12.683 ( 0.825 -4.436 -2.419) 5.120 12.904 ( 1.222 3.331 -3.871) 5.251 13.300 ( -9.866 -20.057 18.410) 28.958 13.605 ( -2.360 -1.587 2.446) 3.751 15.402 ( 0.300 6.519 -7.096) 9.640 15.743 ( 13.674 -2.350 -10.643) 17.487 16.296 ( -1.488 0.835 0.450) 1.765 16.353 ( -2.195 2.012 1.549) 3.356 17.052 ( -1.310 -2.306 1.930) 3.280 17.088 ( -3.245 -2.650 3.429) 5.414 17.225 ( 2.102 -0.257 0.020) 2.117 17.342 ( -0.920 1.822 -1.679) 2.642 17.421 ( -0.827 1.297 1.870) 2.421 17.497 ( 0.202 4.394 0.860) 4.482 17.693 ( -2.534 -4.200 1.251) 5.063 17.824 ( -1.120 0.928 0.385) 1.505 17.990 ( 1.130 -0.081 -2.278) 2.544 18.043 ( 1.662 -2.726 -1.239) 3.425 18.119 ( 1.482 -0.068 0.658) 1.622 18.323 ( -0.416 0.287 -2.203) 2.260 18.523 ( -2.532 -3.222 -0.331) 4.111 18.628 ( 1.066 -4.237 -2.078) 4.838 18.747 ( 0.709 -5.141 2.451) 5.740 18.964 ( 0.847 -3.456 0.080) 3.559 20.551 ( 0.048 -3.070 2.110) 3.725 20.599 ( -0.846 -1.428 0.229) 1.675 20.687 ( 0.333 0.205 1.772) 1.815 20.815 ( 3.794 -3.838 2.447) 5.926 21.485 ( -1.203 0.447 0.805) 1.515 21.494 ( 0.267 0.456 0.987) 1.119 21.563 ( 0.332 0.971 -0.250) 1.056 21.654 ( 0.682 3.554 -4.697) 5.929 27.406 ( -1.023 -0.351 0.519) 1.200 27.427 ( -0.217 -0.130 0.347) 0.429 27.452 ( -0.023 0.399 -0.124) 0.418 27.480 ( 2.349 -0.340 0.250) 2.386 27.756 ( 0.023 0.657 -0.157) 0.676 27.774 ( -0.176 1.024 -0.761) 1.288 27.816 ( -0.674 0.244 1.115) 1.326 27.847 ( 0.033 1.639 0.299) 1.667 35.245 ( -7.803 2.229 -2.204) 8.409 35.273 ( 10.592 1.569 -1.384) 10.796 35.583 ( -0.204 -1.649 2.896) 3.339 35.684 ( -1.946 0.666 1.821) 2.747 36.036 ( -1.462 -7.290 10.367) 12.758 36.195 ( 1.844 3.268 -1.575) 4.070 36.431 ( 0.413 -3.015 2.648) 4.034 37.059 ( 3.310 5.670 -13.346) 14.873 39.538 ( -4.568 0.146 5.640) 7.260 39.753 ( -5.089 -7.350 11.389) 14.479 40.030 ( 0.041 -8.081 -1.254) 8.178 40.449 ( -1.075 5.907 -2.036) 6.340 40.666 ( -10.075 12.683 -3.740) 16.624 40.739 ( 7.996 -5.784 -8.801) 13.223 41.190 ( -3.963 -6.235 6.602) 9.908 41.738 ( 0.840 4.115 -4.349) 6.046 ======================= Grid point 51 (22/80) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 15.773 12.842 17.404) 26.769 1.256 ( 11.062 15.468 19.250) 27.059 1.783 ( 6.050 18.871 15.535) 25.181 2.126 ( 2.410 1.746 -11.879) 12.246 2.266 ( 5.381 3.771 -8.423) 10.682 2.536 ( 0.665 6.398 -5.357) 8.370 2.568 ( -5.659 1.926 -0.018) 5.978 2.684 ( -3.243 1.418 -2.794) 4.509 2.755 ( -3.836 9.683 1.453) 10.516 2.917 ( 0.118 -3.149 2.150) 3.815 2.989 ( -3.157 -1.533 0.871) 3.616 3.047 ( -2.935 1.241 2.029) 3.778 3.116 ( -2.298 1.576 4.120) 4.974 3.164 ( -1.107 1.889 1.450) 2.626 3.187 ( -4.976 5.004 3.227) 7.760 3.303 ( 3.085 4.807 0.401) 5.726 3.417 ( 0.967 -2.631 -0.857) 2.931 3.484 ( 0.408 2.682 -4.147) 4.956 3.547 ( -1.783 4.187 2.003) 4.972 3.624 ( 3.510 -1.715 0.509) 3.940 3.710 ( 5.471 3.064 -1.472) 6.441 3.769 ( 7.564 -0.776 0.406) 7.614 3.865 ( 3.743 -2.771 -1.931) 5.042 4.043 ( -1.581 3.881 0.516) 4.222 4.091 ( 0.077 -2.726 2.156) 3.477 4.168 ( -1.953 0.784 -3.295) 3.910 4.217 ( 0.283 1.426 -2.178) 2.619 4.320 ( -2.949 6.186 -1.183) 6.954 4.444 ( 1.524 5.663 5.884) 8.307 4.512 ( -6.474 2.376 -3.252) 7.625 4.576 ( -0.737 1.155 -1.147) 1.787 4.659 ( 3.118 -0.243 1.239) 3.364 4.788 ( -3.820 1.598 -2.266) 4.720 4.834 ( -2.377 -2.269 -1.562) 3.638 5.023 ( 1.214 2.067 -0.753) 2.512 5.194 ( 3.131 -0.944 5.328) 6.252 5.333 ( 2.890 -5.847 0.572) 6.547 5.354 ( -3.497 -3.699 -1.215) 5.234 5.397 ( -2.893 -1.218 2.017) 3.730 5.484 ( -3.744 -4.600 0.749) 5.978 5.609 ( 1.154 -2.006 -3.940) 4.569 5.664 ( -4.201 -1.484 -2.762) 5.242 5.673 ( -1.025 -1.274 -1.749) 2.394 5.786 ( -0.485 -0.818 -2.943) 3.093 5.897 ( 0.155 -4.066 -3.820) 5.581 5.983 ( 2.952 2.915 -3.098) 5.178 6.065 ( -2.089 -5.132 -0.379) 5.554 6.096 ( -2.237 -0.655 2.981) 3.784 6.232 ( 3.954 -1.121 5.376) 6.767 6.275 ( -1.951 -0.602 5.301) 5.681 6.330 ( 1.091 6.973 0.896) 7.114 6.429 ( 1.083 2.072 -1.039) 2.558 6.505 ( -7.392 0.519 2.216) 7.734 6.602 ( 1.608 2.339 3.896) 4.820 6.736 ( 5.626 6.012 1.571) 8.383 6.795 ( 5.190 0.404 1.644) 5.459 6.869 ( 1.999 2.369 1.351) 3.381 6.881 ( 3.529 1.073 -0.838) 3.783 6.931 ( -0.739 -1.001 -1.294) 1.795 7.025 ( 3.107 1.956 1.756) 4.070 7.083 ( -3.758 -0.559 2.357) 4.471 7.149 ( 4.245 3.633 1.179) 5.710 7.179 ( -1.839 -0.496 4.564) 4.945 7.197 ( -0.608 2.115 1.420) 2.619 7.359 ( -0.791 -4.443 -4.852) 6.626 7.385 ( -0.565 -0.406 0.712) 0.995 7.422 ( -5.320 3.738 -1.820) 6.752 7.481 ( -1.836 -1.012 -1.523) 2.591 7.503 ( -2.644 0.497 0.093) 2.692 7.634 ( -2.137 -2.832 4.221) 5.514 7.730 ( 3.846 -1.410 4.753) 6.275 7.789 ( -1.185 -1.225 0.999) 1.976 7.829 ( -5.816 -6.555 1.004) 8.820 7.897 ( -0.493 1.914 -0.579) 2.060 7.918 ( 0.856 -0.100 -2.545) 2.687 7.999 ( 1.980 2.292 1.386) 3.331 8.051 ( 3.293 0.140 -0.128) 3.298 8.161 ( 1.621 0.029 -4.615) 4.892 8.269 ( 0.406 3.172 -2.836) 4.274 8.305 ( -4.233 -2.699 1.060) 5.130 8.399 ( 1.866 4.112 3.001) 5.422 8.463 ( 0.873 1.094 3.143) 3.441 8.581 ( 2.808 -5.954 -7.272) 9.809 8.677 ( 3.908 1.663 -1.683) 4.569 8.863 ( -4.273 -1.196 0.926) 4.533 8.949 ( -6.201 -1.814 0.636) 6.492 9.072 ( 3.007 -6.888 -0.049) 7.516 9.125 ( -0.598 10.366 1.452) 10.485 9.313 ( 0.719 -2.218 -3.334) 4.068 9.627 ( 0.695 -1.904 -2.748) 3.414 9.709 ( -2.037 0.185 1.865) 2.768 9.976 ( 5.796 -4.904 -1.909) 7.829 10.067 ( -7.501 9.959 -3.583) 12.972 10.396 ( 6.259 4.138 -4.687) 8.847 10.676 ( 0.419 -2.764 1.251) 3.063 10.847 ( 4.591 0.914 -4.994) 6.845 11.140 ( 0.266 -1.349 5.021) 5.205 11.715 ( 1.862 6.133 -8.294) 10.482 11.939 ( -3.055 7.758 0.636) 8.362 12.439 ( -2.855 -1.375 10.282) 10.759 12.677 ( 1.443 -2.974 -3.262) 4.644 12.881 ( 1.122 1.933 -5.291) 5.744 13.200 ( -13.053 -10.182 11.273) 20.028 13.590 ( -1.786 -0.834 2.427) 3.127 15.344 ( -1.498 10.332 -3.274) 10.941 15.768 ( 2.002 -5.347 -9.609) 11.177 16.277 ( -1.128 0.488 1.056) 1.621 16.314 ( -1.933 1.264 1.201) 2.603 17.009 ( -3.692 -2.322 1.113) 4.501 17.076 ( -1.751 -2.572 4.089) 5.138 17.217 ( -2.973 3.925 -0.061) 4.924 17.346 ( 3.294 0.518 -1.182) 3.537 17.414 ( -0.875 0.087 1.706) 1.919 17.554 ( 3.858 1.747 1.128) 4.383 17.679 ( -0.847 -2.931 0.293) 3.065 17.793 ( -2.475 1.825 0.113) 3.077 18.003 ( 2.478 -0.392 -2.307) 3.409 18.075 ( 2.179 -2.969 -0.681) 3.746 18.145 ( 1.373 -0.894 -0.875) 1.857 18.276 ( -2.095 0.775 -1.801) 2.870 18.455 ( -3.751 -3.515 0.651) 5.182 18.634 ( 1.961 -3.743 -2.707) 5.018 18.794 ( 1.020 -5.593 2.750) 6.316 19.006 ( 2.812 -4.817 0.605) 5.610 20.566 ( -0.438 -2.536 1.222) 2.849 20.585 ( -0.545 -2.474 0.180) 2.540 20.706 ( -0.173 0.650 1.394) 1.548 20.820 ( -3.173 -1.414 1.070) 3.634 21.471 ( -1.094 0.833 1.014) 1.709 21.507 ( 0.194 0.407 0.700) 0.833 21.566 ( 0.205 1.291 -0.369) 1.358 21.599 ( -1.310 3.200 -1.791) 3.894 27.369 ( -2.228 0.191 0.334) 2.261 27.447 ( 1.014 -0.355 0.215) 1.095 27.452 ( 0.552 0.310 -0.335) 0.716 27.520 ( 0.952 -1.637 -0.034) 1.894 27.756 ( 0.113 0.499 -0.152) 0.533 27.765 ( 0.035 0.773 -0.489) 0.915 27.815 ( -0.536 1.005 0.953) 1.485 27.843 ( -0.610 1.689 0.055) 1.796 35.190 ( 0.868 0.437 -0.240) 1.001 35.544 ( 17.027 -1.047 -7.227) 18.527 35.580 ( -2.790 -2.625 2.085) 4.362 35.698 ( 1.350 2.121 1.813) 3.100 36.111 ( 1.161 -6.113 2.988) 6.902 36.203 ( 0.508 1.817 -1.660) 2.513 36.458 ( -2.116 -6.012 5.511) 8.426 36.967 ( -0.026 7.551 -7.899) 10.928 39.494 ( -5.448 0.255 6.029) 8.130 39.730 ( -6.019 -2.410 7.585) 9.979 40.093 ( 4.886 -7.018 5.038) 9.925 40.355 ( 0.615 0.512 -4.406) 4.478 40.464 ( -6.008 7.938 -5.083) 11.178 40.954 ( 13.885 1.005 -6.840) 15.511 41.182 ( -4.214 -7.138 6.240) 10.375 41.702 ( 0.177 6.139 -3.843) 7.245 ======================= Grid point 52 (23/80) ======================= q-point: ( 0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -1.290 10.533 7.117) 12.777 1.620 ( 2.200 20.314 11.578) 23.485 1.672 ( -4.779 -7.343 -5.607) 10.402 2.130 ( 6.780 1.209 -10.127) 12.247 2.272 ( 5.466 6.560 -11.060) 13.973 2.393 ( -5.217 5.291 0.996) 7.496 2.561 ( 1.314 2.537 1.100) 3.062 2.644 ( 0.394 2.188 -1.371) 2.611 2.780 ( -0.712 17.166 2.950) 17.433 2.914 ( -3.313 -4.532 7.053) 9.014 2.938 ( -2.191 -2.784 0.995) 3.680 3.038 ( -1.027 0.660 -0.570) 1.347 3.091 ( -1.335 0.122 0.425) 1.407 3.167 ( 0.152 4.576 3.471) 5.746 3.241 ( 0.168 2.361 7.143) 7.525 3.335 ( -1.804 2.467 2.903) 4.215 3.397 ( 1.915 1.905 -4.137) 4.941 3.458 ( 0.335 2.909 -1.710) 3.391 3.529 ( -1.118 4.983 -0.157) 5.109 3.656 ( -1.185 0.068 0.730) 1.394 3.773 ( 2.546 -0.303 -1.297) 2.873 3.896 ( 6.504 -4.094 -4.214) 8.765 3.976 ( 5.627 -0.055 -1.073) 5.728 4.026 ( 0.227 -0.991 -2.742) 2.924 4.044 ( -2.805 0.896 -1.655) 3.377 4.120 ( 1.164 1.446 -0.745) 2.000 4.263 ( -2.034 5.273 2.689) 6.258 4.270 ( -0.009 1.817 2.645) 3.209 4.345 ( -5.275 4.725 0.996) 7.152 4.481 ( -2.738 8.131 -1.790) 8.764 4.556 ( 2.896 2.076 -0.240) 3.572 4.731 ( 1.289 -0.756 2.756) 3.135 4.752 ( 0.358 -1.336 2.485) 2.844 4.790 ( -1.929 -1.543 1.350) 2.815 5.039 ( 1.605 1.104 -1.736) 2.610 5.243 ( -3.628 2.520 3.732) 5.783 5.288 ( 0.832 -1.474 3.521) 3.907 5.369 ( -3.498 -2.989 -0.744) 4.661 5.421 ( 4.655 -8.886 -2.573) 10.356 5.439 ( -1.439 -2.338 -1.124) 2.966 5.554 ( -2.172 -4.233 -0.818) 4.827 5.594 ( -0.568 -2.477 -1.072) 2.758 5.672 ( 2.411 1.513 -4.134) 5.019 5.745 ( 0.844 1.044 -3.962) 4.183 5.865 ( 1.663 -4.392 -4.630) 6.595 6.009 ( -0.618 -7.502 1.564) 7.688 6.022 ( 3.600 0.905 -2.907) 4.715 6.141 ( 0.517 -1.792 3.683) 4.128 6.227 ( -4.686 -3.030 1.695) 5.832 6.301 ( -3.557 0.031 3.184) 4.774 6.347 ( -0.337 2.351 0.025) 2.375 6.396 ( -4.840 5.437 5.275) 8.990 6.497 ( 3.564 4.680 3.192) 6.693 6.666 ( 0.931 1.610 2.196) 2.878 6.760 ( -6.665 2.583 -0.403) 7.159 6.842 ( 0.921 3.131 1.123) 3.452 6.913 ( 0.658 5.122 -1.405) 5.352 6.946 ( 4.601 3.901 2.970) 6.723 7.013 ( -1.539 -0.230 2.171) 2.671 7.041 ( 5.215 0.655 -0.143) 5.258 7.075 ( 3.344 1.463 -2.630) 4.499 7.156 ( -2.943 -1.456 -1.900) 3.794 7.220 ( 0.350 0.662 2.052) 2.185 7.265 ( 1.871 4.570 1.522) 5.168 7.269 ( -5.049 -0.632 0.779) 5.148 7.285 ( -0.143 -4.147 -4.943) 6.454 7.375 ( 0.272 2.661 -1.874) 3.266 7.450 ( -1.761 -0.014 5.633) 5.901 7.530 ( 1.903 0.994 -1.718) 2.749 7.626 ( -1.052 -3.705 1.871) 4.282 7.722 ( -2.421 -2.873 -1.592) 4.080 7.763 ( -1.824 -2.217 1.990) 3.493 7.791 ( -4.396 2.753 2.073) 5.586 7.889 ( -1.259 -2.744 -4.160) 5.140 7.914 ( 5.848 -2.925 -1.184) 6.645 8.001 ( -0.126 5.327 -1.776) 5.617 8.132 ( 2.008 0.910 1.312) 2.565 8.149 ( -4.110 2.308 3.935) 6.140 8.248 ( 3.076 -0.848 -0.166) 3.195 8.300 ( -0.278 -0.724 -0.010) 0.776 8.414 ( 1.247 2.011 1.037) 2.583 8.533 ( -0.321 -5.371 -5.041) 7.373 8.601 ( 4.746 -0.991 3.644) 6.065 8.707 ( 2.703 -2.317 -4.187) 5.496 8.744 ( -6.653 3.992 -0.931) 7.814 8.870 ( -1.055 0.902 0.380) 1.439 9.077 ( -0.761 0.092 -4.121) 4.192 9.168 ( 0.073 3.321 4.435) 5.541 9.273 ( 0.746 -5.422 -2.473) 6.006 9.604 ( 0.092 -2.108 -2.510) 3.279 9.680 ( -1.475 0.047 0.911) 1.735 10.006 ( 1.313 9.303 0.100) 9.396 10.071 ( 2.808 -5.169 1.400) 6.047 10.457 ( 4.668 0.901 -7.119) 8.561 10.667 ( -1.237 -2.197 -1.261) 2.819 10.864 ( 2.737 0.668 -2.520) 3.780 11.184 ( 0.101 -3.434 2.087) 4.020 11.682 ( 2.812 5.522 -6.744) 9.159 11.922 ( -0.839 6.706 3.516) 7.618 12.524 ( -2.473 -2.275 17.159) 17.485 12.678 ( 2.020 -2.819 -2.880) 4.508 12.842 ( 0.725 0.606 -5.994) 6.068 13.077 ( -9.337 -4.064 7.415) 12.597 13.586 ( -1.547 -0.395 3.223) 3.597 15.291 ( -0.036 11.829 -2.888) 12.177 15.698 ( 0.927 -4.147 -8.873) 9.839 16.278 ( -0.532 0.121 2.272) 2.336 16.310 ( -0.359 0.668 1.745) 1.903 16.971 ( -1.534 -2.069 1.738) 3.107 17.084 ( -1.871 -2.674 3.878) 5.069 17.160 ( -1.718 4.856 -0.649) 5.192 17.407 ( 1.980 -1.154 -0.105) 2.294 17.422 ( 0.596 0.780 1.250) 1.589 17.622 ( 1.554 -0.842 0.840) 1.957 17.649 ( -1.444 -0.302 -1.677) 2.233 17.752 ( -1.192 1.258 0.198) 1.744 18.030 ( 1.937 -0.070 -1.372) 2.375 18.084 ( -0.966 -2.260 0.691) 2.553 18.186 ( 4.091 -1.565 -2.018) 4.823 18.217 ( -1.350 0.629 -2.555) 2.958 18.414 ( -2.320 -3.757 3.375) 5.558 18.644 ( 2.124 -4.021 -3.427) 5.694 18.822 ( -0.611 -5.882 1.397) 6.076 19.045 ( 0.896 -5.661 -1.252) 5.866 20.553 ( -0.995 -1.324 -0.288) 1.681 20.589 ( -0.117 -3.237 1.308) 3.493 20.702 ( -0.731 1.342 -0.471) 1.599 20.763 ( -2.775 1.011 -0.574) 3.009 21.465 ( -0.607 0.819 1.084) 1.488 21.513 ( -0.163 0.415 0.411) 0.607 21.562 ( 0.098 2.420 -0.607) 2.497 21.578 ( 0.023 0.951 -0.777) 1.228 27.343 ( -0.827 0.497 0.716) 1.202 27.459 ( 0.773 0.324 -0.497) 0.974 27.468 ( 0.586 -0.623 0.252) 0.891 27.519 ( -0.686 -1.215 -0.111) 1.400 27.759 ( 0.311 0.389 -0.022) 0.498 27.765 ( 0.261 0.337 -0.036) 0.428 27.812 ( -0.688 1.217 0.573) 1.511 27.832 ( -0.305 1.841 0.010) 1.866 35.234 ( 2.293 0.652 1.272) 2.703 35.538 ( -2.859 -4.311 1.418) 5.363 35.703 ( 3.964 2.423 -1.841) 4.997 35.773 ( 6.198 2.084 -0.485) 6.557 36.128 ( 1.078 -3.689 -4.309) 5.774 36.181 ( 0.217 1.973 -3.077) 3.662 36.451 ( -4.656 -10.657 6.454) 13.301 36.932 ( 2.082 7.344 -3.217) 8.283 39.476 ( -2.980 1.130 6.852) 7.557 39.703 ( -3.336 -0.338 4.699) 5.773 40.180 ( -3.716 -8.156 -1.032) 9.021 40.342 ( 2.785 5.316 -4.820) 7.698 40.397 ( 3.959 -2.993 2.158) 5.412 41.054 ( 2.103 0.567 -5.099) 5.545 41.206 ( 1.725 -7.961 6.442) 10.385 41.686 ( 1.286 7.353 -1.599) 7.634 ======================= Grid point 53 (24/80) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -23.298 8.607 -9.715) 26.669 1.349 ( -20.095 16.503 0.855) 26.017 1.825 ( -9.447 15.732 5.241) 19.084 2.136 ( 5.003 2.161 -12.421) 13.563 2.303 ( 10.082 4.624 -6.518) 12.865 2.479 ( 3.064 1.787 6.105) 7.061 2.572 ( 0.903 0.681 3.808) 3.972 2.681 ( 1.193 6.474 0.912) 6.646 2.782 ( 4.126 9.551 -0.374) 10.411 2.887 ( 0.015 -1.777 -2.715) 3.245 2.928 ( -2.495 -2.743 3.317) 4.975 3.033 ( -0.849 0.405 4.271) 4.373 3.061 ( -2.601 -1.358 -1.351) 3.230 3.206 ( 0.373 2.191 2.057) 3.028 3.218 ( -4.804 4.041 5.160) 8.126 3.362 ( -0.947 6.961 0.642) 7.055 3.409 ( 1.901 -0.179 -1.287) 2.303 3.475 ( 2.069 -0.264 0.204) 2.096 3.519 ( -0.705 2.594 2.238) 3.498 3.598 ( -1.429 -0.400 -2.469) 2.881 3.746 ( -2.642 1.697 -3.179) 4.468 3.852 ( -7.519 -1.433 -4.074) 8.671 3.968 ( 1.725 -2.857 -5.977) 6.845 3.999 ( 4.004 -3.160 -2.661) 5.753 4.103 ( -1.028 6.100 4.400) 7.592 4.156 ( -0.720 0.415 1.342) 1.579 4.185 ( -0.187 2.034 1.178) 2.358 4.348 ( -0.741 6.081 1.692) 6.355 4.379 ( 3.720 2.734 6.072) 7.628 4.445 ( 3.933 3.171 -2.917) 5.833 4.629 ( 2.524 5.169 0.616) 5.786 4.745 ( -0.467 -2.213 0.470) 2.310 4.774 ( -1.008 -1.349 2.755) 3.229 4.836 ( 2.549 0.568 3.920) 4.710 5.044 ( 0.564 0.403 -1.752) 1.884 5.240 ( -5.974 -5.187 -1.058) 7.983 5.301 ( -0.151 0.885 3.876) 3.978 5.326 ( 2.970 2.430 3.654) 5.299 5.409 ( 0.655 -2.096 0.170) 2.203 5.429 ( -0.680 -8.841 -3.482) 9.526 5.562 ( 1.819 -3.603 1.007) 4.160 5.613 ( 3.745 -0.912 -1.863) 4.281 5.659 ( 3.469 2.692 -4.849) 6.542 5.795 ( 5.308 0.387 -1.467) 5.521 5.855 ( 2.157 -4.860 -5.661) 7.767 5.980 ( -1.868 -2.443 -1.372) 3.368 6.105 ( -0.858 -3.396 -2.206) 4.139 6.130 ( -4.285 -2.380 -1.614) 5.161 6.150 ( 0.634 -1.945 5.134) 5.527 6.229 ( -3.375 1.312 6.960) 7.846 6.402 ( 2.328 3.687 3.127) 5.366 6.426 ( -0.155 2.456 5.078) 5.643 6.549 ( -1.971 2.129 1.149) 3.120 6.637 ( -3.535 3.756 1.011) 5.256 6.680 ( -0.039 2.410 -1.931) 3.088 6.799 ( -4.047 2.447 0.170) 4.732 6.879 ( -2.968 0.670 -0.141) 3.046 6.959 ( -4.557 2.588 -0.518) 5.267 7.018 ( -2.241 2.371 0.316) 3.278 7.052 ( -1.395 4.272 -4.893) 6.644 7.078 ( -2.097 -0.664 -1.619) 2.731 7.107 ( -3.623 -2.005 2.163) 4.671 7.150 ( 0.498 -3.377 -2.993) 4.540 7.221 ( 3.275 -1.241 0.898) 3.615 7.300 ( -1.497 1.798 2.088) 3.136 7.350 ( 2.996 1.538 1.562) 3.712 7.407 ( 1.731 0.186 0.567) 1.831 7.448 ( -0.629 2.072 1.569) 2.675 7.555 ( 1.878 0.365 2.526) 3.169 7.629 ( 2.936 0.936 -2.999) 4.300 7.702 ( -5.266 0.897 3.826) 6.571 7.714 ( 0.117 1.308 -3.089) 3.357 7.778 ( -3.004 -4.491 1.105) 5.515 7.825 ( 1.706 -2.404 -5.670) 6.391 7.984 ( 2.586 -2.259 -4.616) 5.753 8.032 ( 5.868 0.747 5.029) 7.764 8.112 ( -2.165 -2.057 2.256) 3.743 8.183 ( 0.643 0.267 0.935) 1.166 8.250 ( 0.897 3.368 -0.106) 3.487 8.319 ( -0.894 -2.406 1.647) 3.050 8.446 ( -2.172 -1.240 -2.316) 3.409 8.479 ( 0.843 4.582 3.021) 5.553 8.628 ( -2.659 6.575 -3.184) 7.774 8.713 ( -0.079 -4.199 0.718) 4.260 8.738 ( 4.537 -3.459 -0.957) 5.785 8.886 ( 1.862 -0.502 1.707) 2.576 8.998 ( -0.087 -0.048 -6.563) 6.563 9.176 ( -0.912 0.043 1.049) 1.391 9.299 ( 2.181 -0.237 -2.662) 3.450 9.594 ( 1.756 -2.533 -2.727) 4.116 9.691 ( 0.742 -0.924 2.317) 2.603 10.060 ( -1.988 -3.233 1.806) 4.203 10.096 ( 3.485 5.913 1.275) 6.980 10.439 ( -0.009 5.320 -3.242) 6.230 10.610 ( -0.828 -0.983 -4.506) 4.686 10.914 ( 3.542 -3.621 -1.483) 5.278 11.170 ( -3.086 -4.129 0.370) 5.168 11.699 ( 5.041 5.273 -4.827) 8.748 11.964 ( 1.619 7.261 2.465) 7.837 12.650 ( -1.091 -3.996 6.303) 7.542 12.717 ( 3.526 -6.910 2.970) 8.307 12.809 ( -1.095 2.647 4.460) 5.301 12.997 ( -5.833 -0.854 6.623) 8.867 13.594 ( -1.029 -0.233 3.342) 3.504 15.313 ( 5.343 12.782 -1.725) 13.960 15.623 ( 2.075 -2.002 -12.586) 12.912 16.298 ( -0.168 0.841 2.891) 3.016 16.322 ( -0.861 0.837 2.555) 2.823 16.987 ( 0.806 -1.561 2.610) 3.146 17.083 ( -1.688 -2.343 3.226) 4.330 17.148 ( 0.809 3.564 -0.541) 3.694 17.408 ( -0.867 -1.550 0.718) 1.916 17.432 ( -2.260 1.765 0.893) 3.003 17.581 ( -2.394 0.173 -2.048) 3.156 17.666 ( 2.196 -0.640 0.370) 2.317 17.768 ( 2.056 0.216 0.878) 2.246 18.036 ( -0.259 -0.285 -0.626) 0.735 18.070 ( -0.842 -2.515 -0.890) 2.798 18.156 ( -0.843 0.538 -2.864) 3.034 18.263 ( 4.474 -1.274 -1.488) 4.884 18.443 ( 0.642 -3.742 5.442) 6.636 18.646 ( 1.156 -4.052 -2.221) 4.764 18.794 ( -2.901 -5.507 -0.066) 6.224 19.008 ( -1.866 -5.579 -3.336) 6.763 20.531 ( -0.940 -0.546 -0.062) 1.089 20.599 ( -0.273 -2.638 1.145) 2.889 20.679 ( 0.117 2.360 -1.896) 3.030 20.708 ( -1.760 1.313 -1.607) 2.721 21.468 ( -0.202 0.580 1.138) 1.293 21.509 ( -0.557 0.405 0.276) 0.742 21.561 ( 0.290 1.645 -0.575) 1.767 21.579 ( 1.255 1.981 -0.802) 2.479 27.352 ( 0.663 0.396 1.164) 1.397 27.466 ( 0.523 0.313 -0.729) 0.950 27.472 ( -0.625 -0.635 0.506) 1.025 27.498 ( -1.091 -0.886 -0.598) 1.527 27.761 ( -0.079 0.496 0.007) 0.502 27.780 ( 0.928 -0.058 0.319) 0.983 27.800 ( -0.782 1.235 0.300) 1.492 27.835 ( 0.405 1.685 0.134) 1.738 35.264 ( -1.829 0.445 2.766) 3.346 35.521 ( 0.205 -4.882 0.576) 4.920 35.726 ( -0.621 3.824 1.029) 4.009 35.846 ( 0.557 1.784 -1.878) 2.650 36.073 ( -0.765 -7.460 -6.122) 9.680 36.164 ( 1.385 2.690 -3.400) 4.551 36.417 ( -5.209 -11.110 5.742) 13.548 36.972 ( 5.419 6.892 -3.403) 9.404 39.509 ( -1.583 1.338 7.618) 7.895 39.698 ( -2.857 -0.627 6.576) 7.197 40.045 ( -3.694 -1.939 -4.382) 6.050 40.330 ( 1.755 -2.233 -6.626) 7.209 40.544 ( 3.485 2.994 7.381) 8.694 41.024 ( 1.052 -7.698 -4.145) 8.807 41.305 ( -0.301 -6.468 7.382) 9.820 41.714 ( 2.658 5.664 -1.193) 6.369 ======================= Grid point 54 (25/80) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -13.099 19.584 9.219) 25.300 0.971 ( -21.607 20.754 9.131) 31.320 1.477 ( -25.223 37.864 8.490) 46.282 2.114 ( 4.601 2.170 -8.462) 9.873 2.422 ( 3.591 1.561 -10.733) 11.425 2.498 ( 3.483 0.514 5.154) 6.242 2.673 ( -0.288 2.649 -3.250) 4.203 2.768 ( 5.797 4.395 5.587) 9.172 2.806 ( 3.546 7.169 -6.669) 10.414 2.899 ( -1.484 -1.019 -3.329) 3.784 2.947 ( 1.222 -1.582 2.133) 2.923 3.058 ( 5.851 -0.373 2.538) 6.389 3.079 ( -0.037 -1.742 6.728) 6.950 3.209 ( -3.173 2.056 5.970) 7.067 3.234 ( 1.660 -0.052 0.361) 1.700 3.316 ( -2.912 6.304 -0.368) 6.954 3.382 ( -2.325 -1.911 -0.094) 3.011 3.517 ( 1.890 0.205 -1.630) 2.504 3.546 ( -0.804 0.365 1.224) 1.509 3.591 ( 2.249 1.741 -1.833) 3.384 3.633 ( -5.016 3.612 -2.747) 6.764 3.674 ( -5.378 2.539 -1.499) 6.133 3.923 ( 0.390 -2.422 -5.362) 5.896 4.051 ( -5.585 2.005 5.826) 8.316 4.102 ( 3.446 0.179 -0.983) 3.588 4.141 ( -0.484 1.711 2.769) 3.291 4.223 ( 1.705 1.862 -0.853) 2.665 4.341 ( -0.442 0.681 2.226) 2.370 4.457 ( 1.314 -0.284 -5.796) 5.950 4.545 ( 4.329 4.685 4.493) 7.802 4.621 ( -2.781 2.320 1.490) 3.916 4.741 ( -2.223 0.889 -2.258) 3.291 4.806 ( 4.908 -0.205 0.009) 4.913 4.898 ( 0.960 1.002 0.679) 1.545 5.020 ( -0.922 -0.548 -1.054) 1.504 5.165 ( -3.496 -2.885 2.921) 5.392 5.311 ( 0.944 -5.245 -0.954) 5.414 5.337 ( -3.982 -1.158 -0.785) 4.221 5.431 ( 2.116 1.451 5.654) 6.209 5.513 ( 4.499 -5.991 4.011) 8.498 5.590 ( 1.810 -4.851 -1.001) 5.273 5.699 ( 5.807 4.609 -2.572) 7.847 5.740 ( 6.463 -0.037 -1.289) 6.591 5.823 ( 0.850 -4.162 -5.670) 7.085 5.874 ( 3.582 -0.554 -0.909) 3.736 5.902 ( -1.629 -3.440 -4.326) 5.762 6.041 ( -0.022 3.919 -0.956) 4.034 6.071 ( -1.596 2.527 -0.046) 2.989 6.230 ( -3.474 0.454 5.317) 6.367 6.271 ( 3.042 -6.290 4.674) 8.406 6.420 ( -4.478 0.475 1.834) 4.862 6.454 ( -3.229 3.580 2.755) 5.553 6.511 ( 0.708 1.176 2.547) 2.893 6.612 ( -2.645 10.011 -0.548) 10.369 6.641 ( 0.893 -0.685 -1.518) 1.890 6.748 ( -1.399 0.170 -1.382) 1.974 6.804 ( -5.511 -3.486 1.191) 6.628 6.863 ( -2.271 2.196 -1.060) 3.332 6.927 ( -3.114 -2.285 -0.296) 3.874 6.987 ( -0.841 -0.247 -1.957) 2.145 7.026 ( -2.194 0.362 0.895) 2.397 7.091 ( -2.358 -1.873 3.319) 4.481 7.168 ( -0.354 -1.883 0.310) 1.941 7.219 ( -1.038 1.686 3.901) 4.375 7.361 ( 2.002 0.421 1.084) 2.315 7.396 ( 0.854 5.533 1.020) 5.690 7.420 ( 1.382 -1.223 -1.181) 2.192 7.483 ( 4.432 1.082 -2.429) 5.169 7.597 ( -6.087 -2.925 -0.733) 6.793 7.649 ( 4.060 0.640 3.978) 5.721 7.696 ( 2.264 4.510 -0.948) 5.134 7.731 ( 2.191 -2.502 3.075) 4.529 7.752 ( 2.308 -3.404 -2.073) 4.606 7.789 ( 1.858 -1.009 -0.118) 2.117 7.981 ( 1.098 -3.955 -4.495) 6.087 8.073 ( -3.695 -2.857 2.416) 5.259 8.132 ( -4.924 4.788 3.237) 7.592 8.219 ( -4.978 -4.263 0.474) 6.570 8.284 ( -0.268 1.752 0.884) 1.981 8.297 ( 6.555 -1.566 -2.397) 7.153 8.411 ( -1.082 -0.803 2.735) 3.049 8.487 ( -0.013 1.864 -1.554) 2.427 8.590 ( -0.349 6.946 1.549) 7.126 8.672 ( -2.316 -6.699 -2.863) 7.644 8.789 ( 3.182 -0.540 -2.587) 4.137 8.941 ( 2.485 -3.797 0.860) 4.619 8.998 ( 3.642 0.038 -2.499) 4.417 9.166 ( -0.246 2.075 -0.681) 2.197 9.271 ( -0.202 2.299 -5.232) 5.718 9.607 ( 2.982 -1.057 -4.095) 5.175 9.733 ( -0.268 -1.030 3.284) 3.452 9.955 ( -3.902 -6.756 -3.156) 8.416 10.311 ( 10.413 11.992 8.853) 18.182 10.393 ( 0.043 9.240 -2.766) 9.645 10.597 ( 1.986 -1.384 -0.029) 2.420 10.873 ( -6.308 -7.982 -9.645) 14.018 11.101 ( -4.303 0.021 4.473) 6.207 11.757 ( 4.892 5.040 -4.541) 8.364 12.017 ( 3.503 8.914 -2.609) 9.927 12.600 ( -1.459 -3.066 -11.605) 12.092 12.703 ( -1.882 -4.425 -0.620) 4.848 12.909 ( 1.633 2.203 -1.280) 3.026 13.112 ( -1.186 -12.784 33.277) 35.667 13.610 ( -0.966 -0.968 3.182) 3.464 15.460 ( 7.210 3.285 -1.561) 8.075 15.533 ( 8.665 9.866 -16.023) 20.716 16.316 ( -1.241 0.892 1.523) 2.157 16.336 ( -0.064 2.882 3.690) 4.683 17.035 ( 0.719 -1.551 2.712) 3.206 17.088 ( -1.589 -1.913 4.131) 4.822 17.176 ( 3.030 1.067 -1.266) 3.453 17.380 ( -2.138 1.806 -0.099) 2.801 17.409 ( -0.423 -0.125 1.614) 1.673 17.518 ( -2.626 2.625 -0.391) 3.734 17.711 ( 0.835 -1.694 1.206) 2.240 17.823 ( 1.535 -1.606 1.165) 2.508 18.010 ( -1.143 -1.399 -1.784) 2.539 18.038 ( -0.289 -1.697 -0.903) 1.943 18.121 ( -0.530 0.238 -2.391) 2.461 18.320 ( 2.827 -0.395 -1.740) 3.343 18.520 ( 1.157 -3.670 3.915) 5.490 18.643 ( 0.028 -4.935 -1.620) 5.194 18.738 ( -1.770 -4.803 0.298) 5.127 18.951 ( -0.047 -3.348 -1.430) 3.641 20.526 ( -0.366 -0.544 2.315) 2.406 20.603 ( -0.216 -1.297 0.968) 1.633 20.673 ( -0.465 0.430 -0.010) 0.633 20.695 ( 3.680 2.890 -0.551) 4.711 21.479 ( 0.092 0.431 1.113) 1.197 21.499 ( -0.898 0.340 0.450) 1.060 21.560 ( 0.251 1.022 -0.450) 1.144 21.619 ( 4.258 3.777 -1.734) 5.950 27.384 ( 1.286 0.078 1.051) 1.663 27.454 ( -1.787 -0.554 0.512) 1.939 27.459 ( -0.097 0.249 -1.644) 1.666 27.472 ( -0.962 0.145 0.033) 0.974 27.758 ( -0.122 0.594 -0.073) 0.611 27.785 ( -0.145 1.138 -0.738) 1.364 27.807 ( 0.357 -0.302 1.401) 1.477 27.843 ( 0.186 1.485 0.070) 1.498 35.235 ( -2.760 -0.438 1.819) 3.335 35.533 ( -0.719 -2.527 -2.239) 3.452 35.639 ( -12.199 -3.466 -11.562) 17.161 35.716 ( -3.981 1.573 2.291) 4.855 36.008 ( -6.325 -8.566 9.270) 14.118 36.171 ( 2.578 3.442 -2.696) 5.076 36.399 ( -0.281 -4.723 2.340) 5.278 37.054 ( 8.532 5.432 -9.093) 13.600 39.546 ( -2.462 1.584 6.470) 7.101 39.722 ( -3.397 -5.179 9.566) 11.396 40.016 ( 2.262 -3.733 -0.002) 4.365 40.333 ( 6.480 4.651 -3.587) 8.746 40.637 ( 0.853 6.017 3.052) 6.801 40.998 ( -1.184 -12.895 -6.260) 14.383 41.282 ( -10.065 -9.718 5.483) 15.027 41.744 ( 2.469 3.655 -3.240) 5.472 ======================= Grid point 55 (26/80) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 1.304 22.766 13.740) 26.623 1.331 ( -2.906 23.138 16.161) 28.373 2.211 ( 5.245 13.044 0.414) 14.065 2.251 ( -2.142 19.748 2.042) 19.969 2.408 ( -0.554 15.668 -2.084) 15.816 2.648 ( -0.728 0.064 -3.335) 3.414 2.659 ( 4.073 4.071 -3.444) 6.709 2.760 ( -3.096 -4.604 -4.268) 7.000 2.875 ( -4.654 -1.114 1.391) 4.983 2.966 ( 4.691 7.048 -4.858) 9.761 3.013 ( -0.045 1.550 -0.197) 1.564 3.078 ( -2.919 -0.263 2.933) 4.146 3.098 ( -0.881 0.088 5.917) 5.983 3.217 ( 1.980 -3.071 3.316) 4.934 3.274 ( 2.649 1.553 2.222) 3.790 3.328 ( -1.498 2.550 0.676) 3.033 3.445 ( 1.070 4.893 -1.133) 5.135 3.532 ( 2.279 4.162 -3.489) 5.890 3.568 ( -1.907 2.659 -0.760) 3.359 3.653 ( -0.489 3.893 -0.610) 3.970 3.722 ( 5.319 3.742 -0.914) 6.568 3.729 ( 1.678 5.988 -1.603) 6.422 3.839 ( -2.415 -1.380 -5.971) 6.587 4.034 ( -2.473 -0.896 5.408) 6.014 4.168 ( -2.183 2.161 2.529) 3.979 4.202 ( 1.339 0.789 1.686) 2.293 4.262 ( 0.204 0.276 -0.606) 0.697 4.367 ( 3.224 -0.759 2.769) 4.317 4.442 ( -1.217 2.623 2.775) 4.008 4.573 ( -2.277 1.446 3.768) 4.634 4.629 ( -2.864 -2.224 -4.337) 5.653 4.762 ( -0.100 5.670 -1.253) 5.807 4.836 ( 0.109 -1.512 -1.463) 2.107 4.952 ( -2.709 5.272 -2.951) 6.621 5.027 ( 3.011 1.353 0.006) 3.301 5.098 ( 0.747 -6.103 -0.761) 6.195 5.124 ( 1.520 -3.551 2.794) 4.767 5.366 ( -4.125 -5.396 3.862) 7.813 5.440 ( 1.090 -1.682 2.699) 3.362 5.465 ( -2.304 -1.335 -2.817) 3.877 5.514 ( -2.999 0.308 1.845) 3.534 5.590 ( -0.685 -8.072 -2.438) 8.460 5.721 ( 2.218 -6.919 -4.197) 8.391 5.756 ( -1.054 -0.052 -6.401) 6.487 5.822 ( 3.451 -1.813 -5.320) 6.596 5.993 ( 0.819 -4.687 2.683) 5.462 6.082 ( -1.278 2.133 -0.710) 2.586 6.116 ( 2.308 -1.462 -0.524) 2.782 6.165 ( -2.470 2.366 -2.146) 4.038 6.253 ( -2.864 2.065 6.645) 7.524 6.444 ( 1.855 5.009 -2.149) 5.758 6.484 ( 2.489 5.900 0.040) 6.404 6.589 ( -1.057 0.516 4.559) 4.708 6.669 ( -5.126 1.337 0.935) 5.380 6.691 ( 0.482 -2.527 1.311) 2.888 6.772 ( -0.153 -1.856 2.418) 3.052 6.817 ( 4.719 -0.608 4.526) 6.567 6.865 ( 0.257 8.281 1.737) 8.465 6.903 ( 2.838 4.913 0.323) 5.683 6.993 ( -0.057 -0.005 -0.266) 0.272 7.026 ( -2.355 -2.521 6.227) 7.119 7.088 ( 5.057 -3.517 2.594) 6.684 7.137 ( -0.981 3.076 -1.216) 3.450 7.238 ( -0.721 3.007 3.338) 4.550 7.361 ( -2.652 -0.483 -0.352) 2.719 7.401 ( 0.950 -0.077 2.616) 2.785 7.414 ( -1.826 -4.224 -0.094) 4.603 7.490 ( 1.274 2.040 -0.264) 2.419 7.553 ( -0.876 -0.125 -4.200) 4.292 7.681 ( 2.389 2.462 -3.278) 4.745 7.739 ( -5.559 -2.750 3.965) 7.361 7.765 ( 2.487 -2.040 0.356) 3.236 7.804 ( -3.177 -0.617 -0.255) 3.246 7.861 ( 2.634 0.719 2.567) 3.747 7.887 ( 5.822 -0.792 -1.752) 6.131 7.986 ( -6.438 0.393 -1.385) 6.597 8.058 ( 1.104 0.179 -3.386) 3.566 8.135 ( 1.736 -3.417 0.916) 3.941 8.233 ( -0.500 -3.391 2.098) 4.019 8.320 ( 4.872 -4.666 -2.952) 7.364 8.355 ( -3.787 -1.711 2.033) 4.626 8.439 ( -1.993 -5.850 -0.007) 6.180 8.569 ( 1.961 4.542 -2.209) 5.418 8.696 ( -0.819 1.452 -4.688) 4.976 8.807 ( 0.639 -0.847 -0.724) 1.285 8.909 ( -0.054 -2.545 3.602) 4.411 9.041 ( 1.195 2.286 0.608) 2.650 9.282 ( 4.475 0.255 -3.916) 5.952 9.325 ( 0.162 8.160 -1.093) 8.234 9.613 ( 1.498 -1.376 -1.672) 2.633 9.677 ( 0.145 -2.376 -0.256) 2.394 9.860 ( -0.348 -0.720 -0.607) 1.003 10.486 ( 0.385 4.303 -3.051) 5.289 10.521 ( -8.551 2.512 -4.778) 10.113 10.596 ( -0.819 0.032 1.466) 1.679 10.779 ( 6.269 2.698 1.557) 7.000 11.138 ( -2.812 3.793 6.357) 7.919 11.784 ( -1.157 -2.343 0.214) 2.622 12.176 ( 4.192 5.333 -10.407) 12.422 12.448 ( -1.901 0.418 -4.155) 4.588 12.602 ( -0.030 -2.576 -1.278) 2.876 12.952 ( -4.576 -2.707 5.932) 7.965 13.056 ( -0.523 -1.869 4.441) 4.846 13.550 ( -0.344 -4.085 -0.126) 4.101 15.460 ( 2.884 1.181 -3.583) 4.749 15.702 ( 5.259 -2.311 -7.745) 9.643 16.311 ( -1.804 0.747 0.792) 2.107 16.387 ( -1.702 1.103 -0.039) 2.028 17.017 ( -1.527 -0.961 1.897) 2.618 17.054 ( -3.687 -0.645 3.836) 5.360 17.228 ( 2.603 1.086 -0.027) 2.820 17.374 ( -0.520 1.195 -2.204) 2.561 17.449 ( 0.391 1.176 2.134) 2.468 17.581 ( 1.247 2.556 -0.168) 2.849 17.601 ( -3.750 -3.524 1.775) 5.443 17.824 ( 0.615 -2.144 -0.456) 2.276 17.977 ( 0.159 -1.432 -1.125) 1.828 18.005 ( 0.236 -0.055 0.359) 0.433 18.092 ( -0.291 -2.677 0.804) 2.810 18.306 ( 0.798 -2.102 -1.878) 2.930 18.447 ( -2.159 -3.503 -0.623) 4.161 18.556 ( 2.089 -2.351 -1.363) 3.428 18.609 ( 0.077 -6.782 3.502) 7.633 18.873 ( 0.583 -5.164 -1.303) 5.357 20.520 ( -0.281 -0.418 0.830) 0.971 20.569 ( -0.861 -1.404 -0.121) 1.651 20.682 ( 0.735 -0.548 1.083) 1.419 20.757 ( 1.753 -2.389 0.891) 3.094 21.498 ( -0.711 0.756 0.968) 1.419 21.507 ( -0.092 0.741 1.049) 1.288 21.588 ( 0.352 1.467 -0.410) 1.564 21.685 ( 0.599 0.194 -2.511) 2.589 27.400 ( -0.730 -0.179 0.478) 0.891 27.423 ( -0.222 -0.287 0.393) 0.535 27.461 ( 0.400 0.464 -0.586) 0.848 27.483 ( 0.423 0.353 0.073) 0.556 27.775 ( -0.146 1.144 0.048) 1.155 27.800 ( -0.533 1.414 -0.352) 1.552 27.829 ( 0.210 0.920 1.015) 1.386 27.878 ( 0.029 1.260 0.097) 1.264 35.280 ( -7.272 1.037 -1.569) 7.511 35.298 ( 7.324 0.930 -0.414) 7.395 35.560 ( 0.357 -0.004 2.528) 2.553 35.700 ( -1.550 0.730 1.133) 2.054 35.981 ( -0.939 -0.109 6.031) 6.104 36.259 ( 2.803 0.095 -4.110) 4.975 36.389 ( -0.757 1.293 3.928) 4.204 37.036 ( 2.877 -5.418 -7.973) 10.060 39.556 ( -4.161 1.478 3.273) 5.496 39.672 ( -2.545 -1.932 7.671) 8.310 39.906 ( 0.562 -3.890 -1.013) 4.059 40.438 ( -5.540 -13.094 -7.897) 16.264 40.612 ( 8.987 3.710 2.154) 9.959 40.975 ( -4.848 14.779 -3.912) 16.039 41.097 ( -0.683 -2.993 7.200) 7.827 41.772 ( 2.277 -1.101 -5.287) 5.861 ======================= Grid point 56 (27/80) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 3.997 13.672 11.238) 18.144 1.562 ( 6.459 16.374 16.565) 24.171 2.207 ( 0.615 5.162 -6.914) 8.651 2.329 ( -0.894 24.863 1.190) 24.907 2.370 ( 2.160 10.342 -4.759) 11.587 2.611 ( -4.677 -2.762 2.506) 5.982 2.633 ( -3.159 4.023 -3.327) 6.102 2.671 ( 1.946 0.337 -3.884) 4.357 2.827 ( -1.949 -0.787 2.014) 2.911 2.957 ( -5.759 -0.601 2.942) 6.495 2.998 ( 3.345 5.628 -3.652) 7.497 3.043 ( -2.016 0.358 2.454) 3.196 3.161 ( 0.638 4.028 5.639) 6.959 3.253 ( -0.362 2.193 -1.329) 2.589 3.294 ( -2.073 4.097 3.550) 5.804 3.348 ( 0.065 1.442 1.849) 2.346 3.439 ( 0.243 5.841 -1.274) 5.983 3.543 ( 2.104 2.673 -3.855) 5.141 3.593 ( 3.364 -0.884 -1.691) 3.868 3.684 ( 3.276 6.411 4.328) 8.400 3.735 ( -1.420 -1.513 -2.968) 3.622 3.771 ( 4.528 5.195 -2.817) 7.445 3.850 ( 8.414 1.873 -0.299) 8.625 4.052 ( -0.205 -0.021 3.211) 3.217 4.110 ( -3.240 1.371 1.067) 3.676 4.201 ( -2.736 -1.845 -5.512) 6.424 4.267 ( 0.989 4.862 3.527) 6.088 4.431 ( -2.331 3.580 3.223) 5.351 4.503 ( 0.787 2.213 7.754) 8.102 4.524 ( -0.952 -0.947 -4.886) 5.067 4.610 ( 1.194 1.751 2.718) 3.447 4.752 ( 0.302 7.340 -2.710) 7.830 4.803 ( -1.823 0.467 -0.317) 1.909 4.844 ( -4.293 3.407 -3.918) 6.738 5.043 ( 0.707 -0.002 -3.531) 3.601 5.136 ( 3.851 -6.961 1.476) 8.091 5.198 ( 2.600 -3.068 3.423) 5.281 5.297 ( -4.474 -2.704 1.280) 5.382 5.390 ( -0.672 -2.954 0.256) 3.041 5.437 ( -4.782 2.836 1.030) 5.655 5.490 ( -3.290 -7.799 3.139) 9.028 5.548 ( -0.540 -5.752 -4.779) 7.497 5.690 ( -3.201 -6.184 -0.910) 7.022 5.729 ( 3.977 -0.391 -6.279) 7.443 5.818 ( 3.499 -1.253 -5.918) 6.989 5.911 ( -5.729 -8.457 -0.856) 10.251 6.067 ( 1.228 3.654 -3.220) 5.023 6.146 ( -1.714 5.110 3.969) 6.693 6.217 ( 5.873 -0.170 1.282) 6.013 6.257 ( -3.966 0.756 5.740) 7.018 6.427 ( -2.016 2.230 -1.833) 3.521 6.535 ( -3.912 4.081 4.371) 7.146 6.563 ( 1.668 5.800 0.250) 6.041 6.645 ( 1.511 1.802 1.394) 2.734 6.753 ( 1.020 -4.029 3.786) 5.622 6.802 ( 6.211 -3.807 -1.169) 7.378 6.868 ( -5.671 -0.852 5.312) 7.817 6.947 ( 4.435 4.367 -0.129) 6.226 6.972 ( 3.024 6.017 2.999) 7.372 7.032 ( 2.376 0.121 2.277) 3.293 7.061 ( 3.751 -0.415 1.676) 4.130 7.125 ( -0.824 -2.640 0.347) 2.787 7.213 ( 1.033 2.065 2.173) 3.171 7.277 ( 4.333 0.539 -2.859) 5.219 7.324 ( -0.159 0.741 1.508) 1.688 7.395 ( -4.893 1.840 4.732) 7.051 7.469 ( 2.906 2.256 -5.819) 6.884 7.477 ( -1.093 2.807 -2.082) 3.661 7.495 ( -1.541 -2.754 0.641) 3.220 7.598 ( -4.862 -1.910 -1.073) 5.332 7.692 ( 1.721 -0.676 3.123) 3.629 7.754 ( -1.779 -0.937 0.686) 2.124 7.760 ( -1.865 -0.970 -1.249) 2.446 7.887 ( 1.155 -0.868 -3.128) 3.446 7.956 ( -2.511 1.963 -2.617) 4.124 8.016 ( 3.406 -1.195 3.298) 4.889 8.058 ( 7.363 0.807 2.301) 7.756 8.155 ( 0.174 -0.712 -1.486) 1.656 8.228 ( -6.681 -3.849 1.793) 7.917 8.291 ( 2.853 -1.400 -1.631) 3.572 8.426 ( 4.140 -5.123 -0.357) 6.596 8.470 ( 3.393 -1.463 -1.335) 3.928 8.545 ( -2.212 3.011 -1.969) 4.223 8.648 ( 0.906 -1.471 -2.550) 3.080 8.791 ( 0.906 -3.762 -0.631) 3.921 8.919 ( -2.080 -0.892 1.474) 2.701 9.026 ( -2.764 1.397 0.270) 3.109 9.262 ( -3.127 -2.666 -4.260) 5.918 9.346 ( 1.988 10.030 0.209) 10.227 9.594 ( -0.796 -0.644 -3.365) 3.517 9.701 ( -0.809 -0.887 2.272) 2.570 9.865 ( 3.663 -5.449 -2.015) 6.868 10.297 ( -6.749 10.209 -2.854) 12.567 10.483 ( 1.689 4.856 -1.679) 5.409 10.617 ( -0.374 -2.375 2.039) 3.152 10.863 ( 2.788 0.140 -1.737) 3.288 11.157 ( -1.959 3.032 6.132) 7.116 11.752 ( -1.527 -1.770 -0.968) 2.530 12.108 ( 1.725 6.991 -11.398) 13.483 12.422 ( -2.106 -0.243 6.372) 6.716 12.603 ( 1.892 -3.547 -3.224) 5.153 12.888 ( -6.235 -3.595 4.039) 8.252 13.064 ( -1.599 -0.263 1.756) 2.389 13.547 ( -0.089 -3.619 0.191) 3.625 15.488 ( 2.836 3.323 -2.992) 5.295 15.678 ( 0.692 -3.107 -7.619) 8.257 16.287 ( -1.518 0.640 1.315) 2.108 16.350 ( -1.415 1.821 -0.226) 2.317 16.986 ( -3.217 -0.043 1.281) 3.463 17.027 ( -2.832 -1.857 4.592) 5.706 17.278 ( 0.991 2.004 0.556) 2.304 17.357 ( 0.952 0.983 -1.535) 2.057 17.441 ( -1.723 2.088 0.666) 2.788 17.562 ( -0.024 -1.539 1.474) 2.131 17.631 ( 1.743 -1.201 0.142) 2.122 17.804 ( -2.083 -1.614 -0.070) 2.636 17.990 ( 2.000 -0.763 -0.888) 2.317 18.030 ( 2.198 -0.946 -0.337) 2.416 18.094 ( -0.046 -3.642 0.343) 3.659 18.278 ( -1.583 -1.450 -1.998) 2.933 18.381 ( -3.636 -2.493 0.212) 4.414 18.582 ( 1.688 -1.167 -1.598) 2.601 18.653 ( 0.553 -7.308 2.935) 7.895 18.886 ( 1.925 -6.302 -0.579) 6.615 20.527 ( 0.049 -0.935 1.006) 1.374 20.551 ( -0.781 -1.153 -0.158) 1.401 20.705 ( 0.515 -0.655 0.702) 1.090 20.777 ( -0.462 -2.599 0.397) 2.669 21.493 ( -0.923 1.230 1.249) 1.982 21.517 ( 0.073 0.521 0.812) 0.967 21.591 ( 0.434 1.334 -0.417) 1.464 21.648 ( -1.380 1.339 -1.983) 2.762 27.376 ( -1.615 0.484 0.394) 1.731 27.436 ( 0.755 -0.606 0.312) 1.017 27.462 ( 0.374 0.465 -0.571) 0.825 27.496 ( 0.457 -0.701 0.150) 0.850 27.772 ( -0.184 1.031 0.060) 1.049 27.787 ( -0.585 1.239 0.022) 1.370 27.840 ( 0.024 1.309 0.722) 1.495 27.876 ( -0.322 1.329 -0.098) 1.371 35.210 ( 0.419 1.547 -0.008) 1.602 35.484 ( 5.935 -4.075 0.155) 7.201 35.578 ( 5.144 1.802 -1.724) 5.716 35.733 ( 2.938 1.213 1.170) 3.387 36.028 ( -0.123 -1.865 4.603) 4.968 36.247 ( -0.084 -0.614 -3.456) 3.512 36.387 ( -4.149 0.857 4.933) 6.503 36.999 ( 1.894 -3.150 -7.089) 7.985 39.517 ( -3.360 1.999 3.966) 5.569 39.690 ( -2.764 -1.547 5.891) 6.688 39.937 ( 2.575 -6.138 1.778) 6.890 40.252 ( -4.591 -9.530 -6.261) 12.292 40.706 ( -2.048 10.469 -2.530) 10.963 40.953 ( 6.278 2.855 2.743) 7.422 41.128 ( -1.974 0.805 1.737) 2.750 41.759 ( 1.924 -0.724 -4.825) 5.245 ======================= Grid point 57 (28/80) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -3.356 1.181 3.210) 4.792 1.771 ( -1.364 12.514 7.704) 14.758 2.187 ( 4.807 13.425 -4.916) 15.083 2.214 ( -2.217 21.574 0.322) 21.690 2.392 ( 2.676 3.641 -8.551) 9.671 2.534 ( -2.482 7.563 -0.233) 7.963 2.577 ( -2.813 -0.871 5.511) 6.248 2.696 ( 3.314 1.172 -2.194) 4.144 2.810 ( -1.786 -3.314 1.408) 4.019 2.903 ( -3.686 0.499 5.645) 6.760 3.019 ( -0.178 -2.100 1.772) 2.754 3.042 ( 0.560 5.073 -2.546) 5.704 3.161 ( -3.460 7.847 -3.190) 9.151 3.232 ( 1.211 2.550 1.064) 3.017 3.322 ( 0.046 2.508 3.171) 4.043 3.369 ( 0.910 1.195 3.504) 3.813 3.411 ( -1.842 0.712 -2.507) 3.192 3.550 ( 2.371 3.774 -3.607) 5.734 3.570 ( -0.065 -0.832 -3.261) 3.366 3.729 ( 1.214 -0.070 -2.584) 2.856 3.826 ( -0.936 7.133 1.955) 7.455 3.838 ( 4.758 5.818 2.113) 7.807 3.965 ( 3.751 -0.100 -3.362) 5.038 4.032 ( -2.491 0.723 -5.477) 6.060 4.093 ( 0.604 -0.302 2.362) 2.457 4.173 ( 4.115 4.552 3.124) 6.886 4.280 ( -4.970 0.369 2.909) 5.771 4.395 ( -2.011 7.943 2.854) 8.676 4.465 ( -1.682 1.591 -1.598) 2.813 4.568 ( 1.224 3.185 6.627) 7.453 4.659 ( -0.506 7.938 -3.013) 8.506 4.707 ( -0.645 0.092 0.773) 1.011 4.765 ( 0.041 2.065 0.083) 2.067 4.793 ( -0.108 1.683 0.409) 1.735 5.019 ( 0.984 -3.289 -3.615) 4.985 5.220 ( 2.881 -8.021 -1.469) 8.648 5.248 ( -0.858 -3.211 1.971) 3.864 5.294 ( -0.648 -0.299 4.992) 5.042 5.353 ( -3.598 0.714 1.444) 3.942 5.400 ( -1.064 -0.885 0.004) 1.384 5.449 ( 0.340 -4.951 1.114) 5.087 5.488 ( -1.953 -4.556 -0.807) 5.022 5.660 ( 2.604 -7.073 -0.880) 7.589 5.736 ( 2.913 -1.795 -5.119) 6.157 5.784 ( -3.147 -1.308 -2.537) 4.248 5.879 ( 5.068 -2.686 -2.991) 6.469 6.057 ( 0.665 2.271 -3.869) 4.536 6.153 ( -2.181 2.687 4.037) 5.317 6.221 ( -2.421 2.138 1.060) 3.399 6.283 ( -2.108 -1.090 0.583) 2.443 6.356 ( 0.078 -0.002 0.225) 0.238 6.540 ( -2.653 7.157 7.175) 10.476 6.606 ( 0.596 3.908 -0.636) 4.004 6.692 ( 1.570 -0.090 1.929) 2.489 6.743 ( -6.151 -3.421 1.962) 7.306 6.812 ( -0.434 -4.263 3.469) 5.513 6.975 ( 6.637 1.771 1.269) 6.986 7.031 ( 2.616 -0.265 -1.421) 2.989 7.040 ( 1.036 -1.235 0.283) 1.637 7.070 ( -2.428 -3.082 0.620) 3.972 7.088 ( 3.308 4.307 1.107) 5.543 7.144 ( -0.642 3.787 1.377) 4.080 7.197 ( -3.394 -0.645 -2.549) 4.293 7.249 ( -4.060 0.655 1.609) 4.416 7.276 ( 2.529 2.875 -6.768) 7.776 7.363 ( -4.520 2.481 -2.378) 5.678 7.424 ( -0.033 1.510 0.204) 1.524 7.465 ( 1.514 2.129 4.381) 5.101 7.522 ( -1.176 -0.931 0.981) 1.792 7.585 ( 6.273 2.015 -3.432) 7.429 7.708 ( -2.225 -1.133 0.450) 2.537 7.739 ( 0.322 2.108 2.761) 3.489 7.843 ( 5.180 -4.556 -1.638) 7.090 7.854 ( 1.038 0.867 -3.205) 3.479 7.871 ( -2.778 2.532 1.048) 3.902 8.074 ( -3.205 -1.324 -0.156) 3.471 8.116 ( -2.878 0.077 -2.853) 4.054 8.155 ( 0.474 -0.656 3.341) 3.438 8.221 ( 5.854 -0.725 -1.153) 6.010 8.312 ( 0.388 0.756 -0.648) 1.069 8.432 ( -0.090 -3.954 -6.037) 7.217 8.452 ( -0.739 -0.434 3.279) 3.389 8.556 ( 1.636 -1.871 3.238) 4.082 8.655 ( 1.079 -2.939 -0.733) 3.215 8.850 ( 2.548 -1.604 -0.764) 3.106 8.888 ( -0.428 3.989 -0.481) 4.041 8.951 ( -3.472 -3.718 -4.028) 6.488 9.158 ( -1.589 -2.489 -0.031) 2.953 9.368 ( -0.498 8.751 0.287) 8.770 9.555 ( 1.060 -1.540 -2.962) 3.502 9.669 ( -1.440 -1.137 -1.392) 2.303 9.933 ( 2.625 -7.696 -0.540) 8.149 10.236 ( -0.002 11.495 2.025) 11.672 10.507 ( 1.591 4.250 -0.434) 4.558 10.612 ( -1.333 -2.866 0.465) 3.195 10.871 ( 1.087 -0.225 -3.188) 3.376 11.177 ( -2.322 2.388 5.671) 6.577 11.722 ( -0.159 -1.238 -0.979) 1.586 12.060 ( 3.109 5.795 -6.673) 9.369 12.481 ( -0.130 -2.428 9.562) 9.866 12.597 ( 0.843 -3.779 -3.443) 5.181 12.829 ( -4.441 -2.782 5.332) 7.476 13.041 ( -1.061 2.008 -0.792) 2.405 13.550 ( -0.103 -3.432 0.765) 3.518 15.499 ( 2.715 6.688 -5.046) 8.807 15.614 ( 0.304 -3.391 -5.592) 6.547 16.287 ( -0.641 0.651 2.912) 3.052 16.341 ( -0.057 2.260 1.237) 2.577 16.953 ( -2.080 0.229 3.089) 3.731 17.027 ( -1.973 -2.519 4.225) 5.300 17.257 ( -1.397 4.552 -1.312) 4.939 17.377 ( 0.600 -0.897 0.323) 1.127 17.448 ( 2.002 1.126 -0.159) 2.303 17.576 ( -0.763 -2.847 1.741) 3.424 17.646 ( 0.564 -0.907 -1.929) 2.204 17.763 ( -1.982 -0.834 0.747) 2.277 18.023 ( 1.708 -0.605 -0.372) 1.850 18.049 ( -0.686 -0.743 0.565) 1.158 18.125 ( 4.274 -4.072 -1.483) 6.087 18.216 ( -2.577 -1.656 -1.858) 3.583 18.340 ( -1.556 -1.727 2.111) 3.140 18.588 ( 1.072 -1.213 -2.262) 2.782 18.678 ( -0.709 -7.437 2.005) 7.735 18.908 ( 0.837 -7.136 -1.759) 7.397 20.534 ( -0.518 -0.544 0.343) 0.826 20.543 ( 0.039 -1.326 0.889) 1.597 20.711 ( 0.126 -0.391 -0.706) 0.817 20.754 ( -1.378 -1.523 -1.009) 2.288 21.489 ( -0.799 1.385 1.222) 2.013 21.523 ( -0.232 0.474 0.555) 0.766 21.597 ( 0.610 1.154 -0.648) 1.457 21.612 ( -0.476 1.838 -1.163) 2.227 27.358 ( -0.694 0.902 0.678) 1.325 27.451 ( 0.381 -0.938 0.390) 1.085 27.465 ( 0.706 0.225 -0.810) 1.098 27.497 ( -0.453 -0.814 0.184) 0.950 27.772 ( 0.109 0.876 0.268) 0.922 27.780 ( -0.402 0.962 0.421) 1.125 27.842 ( -0.389 1.517 0.249) 1.586 27.869 ( -0.062 1.578 -0.231) 1.596 35.258 ( 2.883 1.678 1.062) 3.501 35.466 ( -4.069 -2.737 1.988) 5.292 35.734 ( 8.188 0.757 -3.525) 8.947 35.814 ( 4.987 1.490 0.641) 5.245 36.041 ( -1.063 -3.864 -2.481) 4.714 36.196 ( -2.696 -3.840 0.305) 4.702 36.341 ( -4.819 2.582 4.249) 6.924 36.984 ( 2.983 -2.057 -5.372) 6.480 39.514 ( -1.931 2.519 5.507) 6.356 39.691 ( -2.335 -0.796 4.351) 5.002 39.995 ( -0.617 -8.204 0.859) 8.271 40.158 ( 1.181 -11.437 -3.388) 11.987 40.651 ( 0.661 14.574 -1.413) 14.657 41.042 ( -6.199 -2.163 2.601) 7.062 41.135 ( 6.319 1.800 0.879) 6.629 41.754 ( 2.087 -0.756 -3.881) 4.471 ======================= Grid point 58 (29/80) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -12.883 13.433 -3.129) 18.873 1.645 ( -14.563 14.202 3.431) 20.629 2.201 ( 3.100 4.611 -8.881) 10.476 2.309 ( 4.113 24.462 0.843) 24.819 2.410 ( 6.690 6.731 1.403) 9.593 2.553 ( -2.021 3.740 0.376) 4.267 2.610 ( 2.309 2.448 7.678) 8.383 2.757 ( 4.499 -2.978 -0.854) 5.463 2.802 ( 0.085 -1.835 2.351) 2.983 2.890 ( -3.061 1.501 -0.070) 3.410 2.991 ( -0.599 3.528 -1.063) 3.733 3.039 ( 0.867 3.492 -1.524) 3.907 3.088 ( -2.429 4.722 1.092) 5.421 3.239 ( -1.420 1.138 -0.301) 1.844 3.310 ( -3.335 4.858 2.825) 6.535 3.367 ( -0.147 -3.437 -0.411) 3.465 3.457 ( 3.287 1.816 -0.216) 3.762 3.549 ( 2.468 4.503 -6.326) 8.148 3.564 ( 1.801 0.572 -0.931) 2.107 3.650 ( -5.397 6.499 -2.339) 8.766 3.769 ( -2.285 1.905 -0.305) 2.990 3.854 ( -3.623 1.894 -4.695) 6.226 3.940 ( -1.806 0.957 -2.331) 3.100 3.974 ( 4.944 -0.028 -2.689) 5.628 4.131 ( -2.944 -1.203 4.031) 5.135 4.221 ( -0.810 -0.083 2.103) 2.255 4.259 ( -1.885 7.616 4.488) 9.039 4.368 ( -2.079 0.109 -1.107) 2.358 4.478 ( -0.125 4.925 3.512) 6.050 4.611 ( 0.062 4.819 -0.608) 4.857 4.677 ( 1.808 0.958 4.353) 4.810 4.742 ( 0.969 5.776 2.074) 6.214 4.761 ( 0.762 -0.207 -0.104) 0.796 4.854 ( 4.307 1.604 1.913) 4.978 5.009 ( 1.460 -3.331 -3.009) 4.720 5.133 ( -5.235 -5.943 -3.198) 8.542 5.229 ( -2.206 -7.512 -2.395) 8.188 5.301 ( -1.086 -3.224 0.547) 3.445 5.383 ( -0.104 -1.799 1.939) 2.647 5.400 ( 3.128 3.604 5.808) 7.517 5.486 ( 0.553 -1.696 2.256) 2.877 5.539 ( 5.830 -3.506 2.284) 7.177 5.711 ( -0.869 -0.531 -1.322) 1.669 5.735 ( 5.889 -4.066 -4.180) 8.288 5.792 ( 4.372 -3.537 -0.547) 5.650 5.938 ( 2.342 0.475 -3.130) 3.938 6.028 ( 2.237 -1.060 -4.039) 4.738 6.118 ( -1.723 0.406 -2.235) 2.851 6.186 ( -2.814 3.917 2.616) 5.487 6.254 ( -3.890 1.077 6.751) 7.865 6.405 ( 2.641 -0.493 -0.272) 2.701 6.529 ( -2.417 0.897 0.849) 2.714 6.586 ( -2.452 4.891 4.001) 6.779 6.655 ( -2.489 0.342 0.621) 2.588 6.744 ( -0.010 -0.436 0.525) 0.683 6.803 ( -3.712 -1.478 3.533) 5.333 6.938 ( -5.803 -4.473 -2.567) 7.764 6.976 ( -5.344 6.758 0.358) 8.624 7.000 ( -5.949 -1.991 -1.248) 6.396 7.057 ( -5.267 -1.424 -0.304) 5.465 7.069 ( -0.010 -1.449 -3.530) 3.816 7.134 ( 1.967 5.914 -1.626) 6.441 7.172 ( -1.155 1.380 -3.498) 3.934 7.233 ( -0.716 0.479 3.063) 3.182 7.297 ( 3.834 -0.594 2.843) 4.810 7.330 ( 3.536 1.670 -3.257) 5.089 7.445 ( 3.766 4.248 -1.178) 5.797 7.516 ( 0.837 1.734 0.719) 2.055 7.554 ( 2.055 -1.120 3.497) 4.208 7.642 ( 1.824 -0.978 -1.319) 2.454 7.690 ( -2.317 0.465 0.624) 2.444 7.740 ( -1.464 2.488 0.178) 2.892 7.786 ( -4.777 2.136 1.598) 5.471 7.860 ( 3.083 2.304 -4.475) 5.903 7.929 ( -4.394 -2.052 -6.179) 7.854 8.007 ( 7.845 -2.279 2.874) 8.661 8.046 ( -2.382 -3.022 1.698) 4.206 8.182 ( -2.786 -0.422 3.203) 4.266 8.257 ( -0.792 -2.973 -1.925) 3.630 8.328 ( 4.438 0.728 -1.535) 4.752 8.392 ( 0.069 -1.234 -4.051) 4.235 8.493 ( 0.428 -3.919 1.904) 4.378 8.624 ( -1.310 -3.186 3.381) 4.826 8.689 ( 2.922 -0.294 1.021) 3.109 8.779 ( -3.305 0.779 -4.824) 5.899 8.846 ( -1.194 -0.713 -0.518) 1.484 8.936 ( 2.857 0.636 -1.155) 3.147 9.204 ( 4.029 -1.915 -2.253) 4.998 9.361 ( 0.628 7.092 -0.330) 7.127 9.561 ( 1.995 -0.508 -3.541) 4.096 9.665 ( 1.366 -1.351 1.695) 2.562 9.924 ( -1.719 -6.169 -1.991) 6.706 10.319 ( 4.717 10.349 5.679) 12.713 10.531 ( 0.596 4.603 1.388) 4.844 10.579 ( -1.366 -2.057 -1.722) 3.010 10.849 ( 0.263 -2.194 -4.153) 4.705 11.171 ( -3.915 3.164 5.021) 7.110 11.736 ( 1.883 -1.207 0.402) 2.273 12.086 ( 5.127 4.364 -4.686) 8.203 12.553 ( 3.447 -7.416 -8.388) 11.714 12.610 ( -0.719 -0.886 11.024) 11.083 12.825 ( -4.317 -1.502 10.884) 11.805 13.017 ( 0.542 3.564 -2.524) 4.400 13.556 ( -0.093 -3.729 0.774) 3.810 15.502 ( 2.090 4.493 -4.437) 6.651 15.589 ( 4.352 -0.758 -7.357) 8.581 16.314 ( -0.333 0.532 3.573) 3.628 16.365 ( 0.422 2.907 2.506) 3.861 16.970 ( -0.357 -0.164 4.571) 4.588 17.037 ( -1.239 -1.814 4.041) 4.600 17.226 ( -0.048 3.987 -2.287) 4.597 17.385 ( 0.161 -0.458 0.782) 0.920 17.465 ( -1.322 1.370 0.039) 1.904 17.559 ( -1.076 -2.550 -0.664) 2.846 17.641 ( 0.771 -1.567 0.077) 1.747 17.761 ( 1.120 -1.277 0.402) 1.746 18.025 ( -0.874 -0.884 -0.275) 1.273 18.044 ( -0.792 0.123 0.312) 0.860 18.134 ( -2.084 -3.035 -1.769) 4.085 18.221 ( 5.086 -2.651 -1.398) 5.903 18.366 ( 1.200 -2.480 3.524) 4.473 18.577 ( 0.162 -2.249 -2.341) 3.250 18.662 ( -2.425 -6.582 0.999) 7.085 18.882 ( -0.534 -6.295 -2.652) 6.852 20.527 ( -0.639 0.036 0.709) 0.955 20.557 ( 0.280 -1.454 1.154) 1.877 20.702 ( 0.048 -0.081 -1.214) 1.218 20.712 ( -0.817 -0.598 -2.464) 2.664 21.488 ( -0.489 1.193 1.130) 1.714 21.519 ( -0.632 0.486 0.437) 0.909 21.590 ( -0.001 1.373 -0.824) 1.602 21.622 ( 2.077 1.642 -0.846) 2.780 27.364 ( 0.381 0.718 0.982) 1.275 27.455 ( -0.587 -1.052 0.536) 1.318 27.469 ( 0.553 -0.086 -1.249) 1.368 27.488 ( -0.586 -0.063 0.284) 0.654 27.776 ( -0.097 0.919 0.231) 0.953 27.786 ( 0.400 0.642 0.939) 1.206 27.831 ( -0.569 1.653 -0.271) 1.769 27.870 ( 0.311 1.515 -0.135) 1.553 35.281 ( -3.009 1.296 2.220) 3.957 35.446 ( 1.406 -2.390 0.889) 2.912 35.779 ( -0.824 1.168 -0.560) 1.535 35.874 ( -5.765 -0.160 -4.457) 7.289 35.933 ( -1.046 -3.670 0.908) 3.922 36.186 ( 1.467 -4.398 -0.386) 4.652 36.315 ( -0.993 3.805 2.519) 4.670 37.001 ( 4.345 -3.245 -5.389) 7.645 39.548 ( -1.286 2.341 6.887) 7.387 39.687 ( -3.277 -0.620 4.829) 5.869 39.936 ( -2.247 -5.966 -1.866) 6.643 40.213 ( 5.895 -9.506 -2.433) 11.447 40.717 ( 4.124 11.175 3.016) 12.288 40.918 ( -5.492 -1.849 -2.289) 6.231 41.229 ( -0.295 -0.661 3.977) 4.042 41.759 ( 2.681 -1.176 -4.160) 5.087 ======================= Grid point 59 (30/80) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -5.796 23.700 7.023) 25.389 1.400 ( -14.715 21.712 7.932) 27.402 2.170 ( 2.759 4.475 -6.164) 8.101 2.305 ( -6.073 34.811 3.407) 35.501 2.467 ( -3.290 2.338 -2.281) 4.636 2.568 ( 7.432 6.864 -1.079) 10.174 2.699 ( -0.641 0.185 0.630) 0.917 2.793 ( -0.630 -4.102 1.713) 4.490 2.858 ( 4.912 -1.329 -1.713) 5.369 2.921 ( 6.307 3.234 1.856) 7.326 2.984 ( 0.317 4.952 -4.159) 6.475 3.048 ( 2.655 -0.623 0.497) 2.772 3.090 ( -2.309 3.013 5.850) 6.974 3.187 ( -2.123 -2.100 0.174) 2.991 3.265 ( -2.989 3.982 -0.185) 4.982 3.353 ( -1.099 -0.118 0.242) 1.131 3.470 ( 0.083 4.461 -2.761) 5.247 3.523 ( 1.365 0.112 -3.061) 3.353 3.588 ( -0.445 4.089 1.643) 4.429 3.639 ( 3.983 2.956 -0.599) 4.996 3.703 ( -2.043 2.873 -4.204) 5.486 3.751 ( -1.759 5.134 -2.278) 5.886 3.906 ( 0.909 1.667 -4.194) 4.603 4.048 ( -3.178 0.147 5.078) 5.992 4.114 ( 2.352 -1.201 3.058) 4.040 4.188 ( -4.005 1.658 2.217) 4.869 4.267 ( -0.411 1.202 2.008) 2.376 4.338 ( -0.185 -1.169 -0.797) 1.427 4.467 ( -1.725 3.728 -0.784) 4.182 4.596 ( -3.715 0.138 3.836) 5.342 4.703 ( -1.362 -2.791 -0.616) 3.166 4.776 ( 0.219 7.986 0.316) 7.995 4.804 ( 3.075 -0.384 0.947) 3.241 4.945 ( 4.087 2.967 0.245) 5.057 5.004 ( -0.187 1.060 -1.775) 2.075 5.078 ( 1.066 -4.953 0.409) 5.083 5.136 ( -3.146 -7.511 -2.667) 8.568 5.326 ( 1.571 -6.142 4.447) 7.743 5.401 ( -0.243 -4.137 1.249) 4.328 5.499 ( 1.944 3.956 -0.492) 4.435 5.522 ( 0.151 1.396 4.370) 4.590 5.652 ( -2.242 -7.107 0.411) 7.463 5.697 ( 4.079 -2.831 -1.567) 5.207 5.779 ( 4.604 -2.893 -5.450) 7.698 5.838 ( 1.100 -1.567 -4.465) 4.859 5.932 ( 2.728 4.050 -3.088) 5.778 6.064 ( 1.632 -3.544 0.691) 3.962 6.107 ( 1.470 -0.974 -0.416) 1.812 6.177 ( 1.588 2.423 0.027) 2.897 6.241 ( -4.155 1.309 8.178) 9.266 6.437 ( -1.213 1.081 1.979) 2.561 6.519 ( 1.385 1.210 -4.401) 4.770 6.566 ( -0.867 3.595 1.109) 3.861 6.659 ( -2.866 2.450 6.526) 7.537 6.691 ( -2.219 -4.499 0.097) 5.018 6.749 ( -2.258 0.443 -0.018) 2.301 6.844 ( -5.163 5.446 0.901) 7.559 6.877 ( 0.077 1.283 -1.464) 1.948 6.901 ( -4.274 2.623 0.450) 5.035 6.982 ( -1.036 -1.810 0.477) 2.140 7.033 ( -1.160 -2.656 -0.322) 2.916 7.064 ( -2.726 -0.043 -2.688) 3.829 7.179 ( -0.820 4.970 1.680) 5.310 7.229 ( -2.089 0.665 3.094) 3.792 7.370 ( 0.397 0.622 1.738) 1.888 7.372 ( 1.985 -2.252 -0.901) 3.134 7.480 ( -1.651 3.476 1.686) 4.201 7.536 ( -6.072 -1.503 -1.877) 6.531 7.573 ( 5.024 3.533 -2.473) 6.621 7.631 ( 0.028 -2.209 0.473) 2.259 7.706 ( 1.537 0.657 -2.435) 2.954 7.711 ( 1.840 -1.661 0.616) 2.554 7.755 ( 2.741 1.794 3.877) 5.075 7.850 ( 1.819 3.860 -0.655) 4.317 7.900 ( -0.554 -3.172 -2.787) 4.259 8.026 ( -0.913 -1.054 1.748) 2.236 8.119 ( 1.469 -5.536 -3.306) 6.613 8.170 ( -6.693 -1.108 -0.227) 6.788 8.202 ( 1.116 -5.081 4.518) 6.890 8.312 ( -0.393 -6.262 -5.241) 8.176 8.398 ( -1.200 2.338 1.396) 2.975 8.514 ( 4.569 1.847 -2.775) 5.656 8.536 ( -7.364 -4.281 1.558) 8.659 8.726 ( 1.680 3.914 -2.871) 5.137 8.769 ( 2.499 -1.338 0.343) 2.855 8.867 ( 0.766 -1.940 3.266) 3.875 8.988 ( 3.875 1.419 -1.394) 4.355 9.237 ( 3.865 0.435 -4.176) 5.706 9.353 ( -0.274 7.212 -2.863) 7.764 9.581 ( 3.294 -1.692 -2.113) 4.264 9.696 ( -1.071 -2.366 1.119) 2.828 9.874 ( -0.826 -1.408 -1.169) 2.008 10.503 ( 5.440 4.045 5.564) 8.770 10.523 ( -0.666 3.352 -3.419) 4.834 10.586 ( 3.004 2.765 4.121) 5.801 10.773 ( -3.293 -1.737 -6.213) 7.243 11.143 ( -4.074 4.125 5.659) 8.102 11.779 ( 0.989 -2.043 1.273) 2.603 12.147 ( 6.277 4.192 -5.831) 9.538 12.520 ( 2.721 -4.575 -9.717) 11.080 12.642 ( -2.582 -0.918 0.536) 2.793 12.907 ( -3.243 -4.525 17.555) 18.417 13.018 ( 1.864 3.582 -1.625) 4.353 13.558 ( -0.336 -4.184 0.241) 4.204 15.471 ( 0.608 0.548 -5.102) 5.168 15.643 ( 8.118 0.885 -7.619) 11.169 16.328 ( -1.310 0.565 2.138) 2.570 16.395 ( -0.083 2.119 1.932) 2.869 17.010 ( -0.597 -0.706 3.940) 4.047 17.059 ( -1.177 -0.851 4.259) 4.500 17.207 ( 0.748 2.360 -2.210) 3.319 17.408 ( 0.831 0.821 0.965) 1.515 17.418 ( -1.497 0.870 -1.025) 2.012 17.548 ( 0.624 -0.818 0.019) 1.029 17.656 ( -1.870 -1.864 2.414) 3.578 17.797 ( 2.304 -2.005 -0.597) 3.112 17.999 ( -1.146 -1.878 -0.761) 2.329 18.015 ( -1.696 1.362 0.347) 2.203 18.097 ( -0.703 -2.778 -0.398) 2.893 18.287 ( 3.216 -2.604 -1.959) 4.578 18.439 ( 1.996 -3.480 2.852) 4.923 18.550 ( 0.013 -3.859 -2.382) 4.535 18.617 ( -2.814 -5.597 0.924) 6.332 18.867 ( 1.132 -4.844 -1.248) 5.128 20.522 ( -0.728 0.029 0.821) 1.098 20.574 ( 0.073 -1.433 1.017) 1.759 20.674 ( -0.502 -0.306 -0.778) 0.975 20.715 ( 2.059 -0.407 -0.934) 2.297 21.493 ( -0.131 0.840 1.073) 1.369 21.510 ( -0.839 0.620 0.638) 1.223 21.587 ( 0.282 1.486 -0.566) 1.615 21.664 ( 3.183 0.874 -1.498) 3.625 27.386 ( 0.793 0.182 0.900) 1.214 27.440 ( -1.357 -0.762 0.475) 1.628 27.462 ( 0.329 0.217 -1.299) 1.357 27.483 ( -0.347 0.563 0.277) 0.717 27.776 ( -0.093 1.080 0.155) 1.095 27.805 ( 0.359 0.592 0.748) 1.019 27.819 ( -0.290 1.565 -0.078) 1.593 27.875 ( 0.243 1.366 -0.012) 1.387 35.238 ( -1.596 0.844 1.200) 2.168 35.500 ( 0.472 -3.300 1.973) 3.874 35.562 ( -12.868 -0.242 -6.267) 14.315 35.752 ( -4.590 1.514 2.085) 5.264 35.954 ( -1.999 0.278 5.344) 5.712 36.227 ( 4.595 -1.619 -4.171) 6.414 36.348 ( 1.114 2.680 2.740) 3.991 37.033 ( 4.912 -5.323 -6.705) 9.870 39.584 ( -2.434 1.977 5.786) 6.582 39.660 ( -4.004 -1.659 5.586) 7.070 39.910 ( 0.259 -4.111 -0.842) 4.204 40.344 ( 10.854 -6.911 -1.965) 13.016 40.692 ( -7.272 -0.522 -3.855) 8.247 40.928 ( 5.247 6.441 4.155) 9.289 41.181 ( -7.890 -0.243 2.339) 8.233 41.771 ( 3.058 -1.308 -4.844) 5.876 ======================= Grid point 60 (31/80) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -1.517 21.189 9.967) 23.465 1.811 ( -2.581 22.537 7.906) 24.022 2.326 ( 6.030 4.445 -1.039) 7.563 2.359 ( -5.436 -0.560 0.599) 5.497 2.472 ( -0.817 -12.810 2.437) 13.065 2.655 ( -0.982 -8.170 -1.143) 8.308 2.707 ( 2.377 1.881 -4.965) 5.817 2.854 ( 2.499 2.683 -4.099) 5.500 2.924 ( -2.502 2.912 -2.113) 4.382 3.033 ( 1.217 -1.091 -0.603) 1.742 3.094 ( -0.115 7.019 0.767) 7.062 3.142 ( -0.433 9.818 4.444) 10.786 3.168 ( -0.009 3.640 0.942) 3.760 3.227 ( -0.029 9.344 -1.827) 9.521 3.317 ( 2.121 3.751 0.702) 4.366 3.355 ( -1.597 -0.707 4.111) 4.466 3.518 ( 1.780 -2.979 0.352) 3.488 3.557 ( 2.151 4.846 -1.150) 5.425 3.679 ( 0.323 6.284 -4.436) 7.699 3.736 ( 3.527 2.592 -2.284) 4.937 3.767 ( -1.700 4.772 -2.076) 5.474 3.845 ( -1.773 2.509 -2.763) 4.131 3.907 ( 3.591 7.990 -0.455) 8.771 4.008 ( -1.824 -1.647 3.603) 4.361 4.149 ( -0.883 -4.553 1.945) 5.029 4.170 ( -0.970 -0.754 2.652) 2.923 4.261 ( -1.318 -1.235 4.107) 4.487 4.370 ( 3.411 -0.562 0.964) 3.589 4.487 ( -1.085 1.113 4.972) 5.210 4.568 ( 0.615 -2.938 -0.542) 3.050 4.628 ( -1.443 2.661 1.158) 3.241 4.766 ( -1.062 -3.261 1.366) 3.692 4.850 ( 0.388 1.949 -2.052) 2.857 4.942 ( 0.031 -3.771 -1.291) 3.986 5.016 ( 1.098 -0.008 2.775) 2.985 5.091 ( 1.271 -1.249 -0.170) 1.790 5.169 ( -0.092 8.290 -2.843) 8.764 5.254 ( -0.027 -5.745 6.701) 8.827 5.349 ( 1.080 -4.247 -0.487) 4.409 5.370 ( -7.684 -3.093 0.218) 8.286 5.479 ( -1.456 -5.191 -2.547) 5.963 5.605 ( -2.939 -0.585 -4.037) 5.028 5.631 ( -1.334 2.914 -1.267) 3.446 5.749 ( 1.143 0.300 -3.983) 4.155 5.812 ( 1.969 -3.690 -3.693) 5.580 5.825 ( -1.448 -3.817 -2.346) 4.708 6.070 ( 2.730 -0.046 1.484) 3.107 6.132 ( 0.742 -2.814 -2.424) 3.787 6.252 ( 2.206 7.704 1.314) 8.121 6.356 ( -4.087 6.040 3.045) 7.903 6.503 ( 2.453 0.468 0.133) 2.501 6.543 ( -0.551 -4.406 0.926) 4.536 6.604 ( 2.598 3.272 1.336) 4.387 6.644 ( -0.664 -0.032 -1.564) 1.700 6.670 ( -4.492 -1.878 3.840) 6.200 6.724 ( 2.528 -0.187 0.634) 2.613 6.802 ( 1.145 1.483 7.694) 7.919 6.923 ( -0.608 -0.985 2.798) 3.028 6.950 ( 2.960 -4.179 3.818) 6.388 7.005 ( -0.212 -0.573 3.435) 3.489 7.027 ( 2.159 2.348 -0.490) 3.227 7.167 ( 3.376 4.103 -1.813) 5.614 7.209 ( -2.295 7.872 -0.051) 8.200 7.266 ( -3.742 -2.293 1.699) 4.706 7.338 ( -3.260 -0.549 2.505) 4.147 7.354 ( -2.498 2.312 0.063) 3.404 7.400 ( 2.686 0.220 3.201) 4.184 7.526 ( 2.085 2.884 -1.672) 3.932 7.592 ( -2.905 -0.307 -3.073) 4.240 7.667 ( -3.763 -1.764 -2.273) 4.736 7.697 ( 2.529 -3.322 -1.188) 4.341 7.740 ( 1.863 1.980 0.111) 2.721 7.793 ( -0.350 -1.666 -1.367) 2.183 7.859 ( 4.288 -3.240 -0.004) 5.375 7.900 ( 2.258 1.910 2.447) 3.839 7.955 ( -0.989 -1.247 -4.127) 4.423 8.028 ( 1.262 -2.191 -1.664) 3.026 8.088 ( 0.656 -0.787 -0.648) 1.212 8.187 ( -0.776 -1.650 4.010) 4.405 8.213 ( 5.710 -3.512 -1.880) 6.962 8.317 ( -5.959 -2.158 0.890) 6.400 8.357 ( -3.416 -2.249 2.730) 4.917 8.643 ( 0.932 2.184 -1.150) 2.638 8.723 ( -1.132 0.342 -4.125) 4.291 8.795 ( 1.511 1.027 -0.404) 1.871 8.889 ( -0.029 -0.487 -0.227) 0.538 9.102 ( 0.477 3.267 0.217) 3.309 9.242 ( 1.442 -3.315 -1.716) 4.001 9.473 ( 2.044 4.841 -1.367) 5.429 9.565 ( 1.379 -2.543 0.930) 3.039 9.676 ( 1.318 2.758 -2.834) 4.168 9.843 ( -1.098 -1.878 -2.943) 3.660 10.496 ( -1.716 -0.201 0.191) 1.738 10.533 ( -2.013 -1.014 2.449) 3.328 10.684 ( -0.651 5.554 -2.751) 6.232 10.805 ( 2.556 -0.147 0.016) 2.560 11.269 ( -2.599 8.940 4.713) 10.435 11.676 ( -1.229 -8.065 0.907) 8.209 12.267 ( 4.108 4.203 -8.054) 9.970 12.421 ( 3.582 -2.951 -8.752) 9.907 12.609 ( -4.639 2.899 3.393) 6.437 12.821 ( -6.817 -6.836 10.269) 14.094 13.145 ( 2.702 6.656 -4.258) 8.350 13.439 ( 1.260 -6.664 -2.402) 7.194 15.493 ( 1.911 2.399 -1.852) 3.583 15.639 ( 2.220 -3.816 -3.757) 5.796 16.332 ( -1.280 1.396 0.031) 1.894 16.391 ( -0.850 -0.688 -1.010) 1.488 17.015 ( -2.114 0.668 2.528) 3.363 17.049 ( -3.438 -0.305 4.109) 5.366 17.284 ( 2.192 4.299 -1.510) 5.057 17.388 ( 0.235 0.172 -2.581) 2.597 17.466 ( 0.872 0.414 1.989) 2.211 17.523 ( 0.734 -2.575 1.849) 3.254 17.627 ( -2.283 0.598 -1.033) 2.577 17.732 ( 0.538 -5.821 -0.391) 5.859 17.949 ( -0.102 -0.930 0.492) 1.057 18.001 ( -0.292 -2.478 0.192) 2.502 18.064 ( -0.973 2.311 1.392) 2.868 18.237 ( 0.674 -4.484 -1.848) 4.897 18.400 ( -1.302 -0.887 0.185) 1.586 18.471 ( 1.213 -4.429 2.266) 5.121 18.581 ( 0.697 2.473 -0.007) 2.570 18.763 ( 0.713 -5.459 -1.674) 5.754 20.520 ( -0.256 0.311 0.235) 0.466 20.545 ( -0.523 -0.970 -0.094) 1.106 20.672 ( 0.689 -0.211 0.338) 0.796 20.712 ( 0.943 -2.007 0.139) 2.222 21.512 ( -0.402 0.594 1.122) 1.332 21.519 ( -0.363 0.385 1.135) 1.252 21.620 ( 0.361 1.606 -0.654) 1.771 21.676 ( 0.466 -0.930 -1.457) 1.790 27.400 ( -0.456 0.202 0.476) 0.690 27.416 ( -0.205 -0.403 0.440) 0.630 27.471 ( 0.367 0.512 -0.616) 0.881 27.487 ( 0.076 -0.040 -0.281) 0.294 27.799 ( -0.300 1.189 0.326) 1.269 27.821 ( -0.626 0.442 0.582) 0.962 27.854 ( 0.440 1.510 0.044) 1.574 27.893 ( 0.081 0.079 -0.071) 0.134 35.290 ( -2.092 0.290 -0.163) 2.119 35.307 ( 1.004 -0.141 0.396) 1.088 35.596 ( 0.721 3.356 0.673) 3.497 35.705 ( -0.959 -0.519 0.121) 1.097 35.998 ( -0.459 1.663 3.679) 4.063 36.170 ( 1.201 -6.266 0.149) 6.382 36.513 ( 0.522 8.651 -0.234) 8.670 36.889 ( 2.319 -8.531 -4.903) 10.109 39.591 ( -2.954 1.893 2.266) 4.177 39.649 ( -1.694 -0.794 4.832) 5.181 39.873 ( -0.138 0.651 -1.264) 1.428 40.145 ( -1.129 -13.021 -4.298) 13.759 40.739 ( 2.088 7.120 3.723) 8.302 40.998 ( -2.652 -4.894 6.007) 8.190 41.287 ( 0.823 13.494 -4.420) 14.223 41.696 ( 2.385 -6.109 -5.518) 8.570 ======================= Grid point 61 (32/80) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -4.818 15.248 5.904) 17.046 1.913 ( 3.295 16.742 10.245) 19.903 2.301 ( 0.034 3.063 -2.124) 3.728 2.379 ( -2.099 -8.603 -1.938) 9.065 2.499 ( 3.753 -0.106 2.372) 4.441 2.618 ( -2.298 -6.303 1.101) 6.799 2.683 ( 1.488 2.921 -4.710) 5.739 2.827 ( -2.256 -1.319 -1.234) 2.889 2.870 ( -1.343 13.481 -3.274) 13.938 2.998 ( -2.506 3.021 0.160) 3.928 3.053 ( -6.767 12.036 4.433) 14.502 3.160 ( 0.441 3.427 -0.533) 3.496 3.218 ( 2.634 -1.648 -0.497) 3.146 3.241 ( 3.283 4.371 -0.199) 5.470 3.350 ( -0.947 -0.898 1.078) 1.693 3.377 ( -1.352 1.940 3.012) 3.829 3.510 ( -1.062 -1.131 -2.447) 2.897 3.546 ( -1.205 -3.026 -3.674) 4.910 3.646 ( -0.653 5.185 -0.692) 5.271 3.723 ( 1.116 3.500 -2.809) 4.624 3.801 ( 5.616 3.649 -1.408) 6.843 3.901 ( 4.888 4.690 0.094) 6.775 3.973 ( 3.174 7.562 2.273) 8.510 4.031 ( 0.547 -0.157 5.618) 5.647 4.126 ( -1.284 -0.851 0.813) 1.742 4.158 ( -0.413 -0.625 -2.237) 2.359 4.312 ( 1.241 0.125 4.020) 4.209 4.382 ( -1.823 -5.808 -1.120) 6.190 4.578 ( 1.505 6.074 3.326) 7.087 4.598 ( 2.035 3.883 6.901) 8.176 4.654 ( 2.319 2.837 1.100) 3.826 4.774 ( 0.340 -1.130 2.237) 2.529 4.860 ( 0.436 -0.087 -1.781) 1.835 4.898 ( -1.843 -1.130 -3.192) 3.855 5.014 ( -1.777 -0.376 -3.306) 3.773 5.085 ( -2.849 1.894 -1.617) 3.784 5.144 ( 1.938 -1.745 4.590) 5.279 5.259 ( -2.422 -0.738 -0.473) 2.576 5.317 ( 0.299 -4.064 5.618) 6.940 5.355 ( -1.356 -4.128 0.269) 4.353 5.431 ( -0.305 -5.217 -3.192) 6.124 5.500 ( -2.666 0.359 -2.895) 3.952 5.563 ( -3.917 -1.407 -0.844) 4.247 5.724 ( -6.329 -7.566 0.196) 9.866 5.770 ( 4.238 2.159 -4.426) 6.497 5.827 ( 5.705 0.325 -8.858) 10.542 6.120 ( 2.254 1.802 -1.283) 3.158 6.200 ( 4.678 -0.925 0.281) 4.777 6.277 ( -1.663 5.638 1.987) 6.204 6.311 ( -4.442 4.035 5.890) 8.409 6.450 ( -4.738 0.353 -1.761) 5.067 6.562 ( 1.252 -0.895 2.462) 2.904 6.595 ( -0.073 -4.131 1.351) 4.346 6.631 ( 0.103 -4.367 1.052) 4.493 6.717 ( -3.226 2.806 1.328) 4.477 6.804 ( 6.161 6.150 -0.339) 8.712 6.846 ( -3.687 0.042 8.662) 9.414 6.976 ( 2.092 -1.199 2.680) 3.605 6.996 ( -1.476 -2.923 2.285) 3.993 7.033 ( -1.065 -1.429 -2.290) 2.901 7.072 ( 5.220 2.119 0.596) 5.665 7.197 ( -0.464 5.271 1.320) 5.454 7.235 ( 0.887 0.431 0.412) 1.068 7.255 ( 3.644 -2.890 5.877) 7.494 7.337 ( 0.433 2.140 -0.110) 2.186 7.375 ( -2.240 -1.964 -0.970) 3.133 7.457 ( 0.287 -0.593 -0.773) 1.016 7.503 ( 4.324 0.720 0.709) 4.441 7.562 ( 2.589 1.289 -2.485) 3.813 7.618 ( 0.772 4.501 -2.255) 5.093 7.699 ( 0.842 -1.318 -0.769) 1.742 7.713 ( -2.752 1.597 -1.744) 3.629 7.790 ( -0.563 2.859 -1.015) 3.086 7.910 ( 0.639 -3.946 -1.105) 4.147 7.920 ( 1.052 2.025 -2.013) 3.043 7.997 ( 4.656 -1.620 -1.386) 5.121 8.066 ( 2.568 -1.382 3.632) 4.658 8.109 ( 1.065 -1.995 -1.063) 2.499 8.175 ( -2.160 -0.446 1.240) 2.530 8.277 ( 2.373 -7.091 -0.025) 7.478 8.287 ( 1.567 -0.065 1.335) 2.059 8.400 ( 4.198 -3.856 3.326) 6.599 8.583 ( -4.242 1.366 -4.330) 6.213 8.652 ( -3.007 -0.827 -1.398) 3.418 8.776 ( -1.480 2.640 -0.467) 3.063 8.893 ( 0.169 -1.711 -1.378) 2.203 9.080 ( -2.148 2.989 0.660) 3.739 9.198 ( -2.380 -3.467 -3.137) 5.247 9.512 ( 2.378 6.110 -1.294) 6.683 9.603 ( -0.400 1.028 -1.459) 1.829 9.678 ( 0.238 -1.099 2.290) 2.552 9.763 ( -1.272 -4.368 -5.361) 7.031 10.438 ( -3.372 4.231 0.698) 5.455 10.538 ( -0.213 -1.062 2.237) 2.486 10.653 ( -0.405 6.381 -1.497) 6.567 10.842 ( 1.659 -2.233 -0.999) 2.956 11.268 ( -2.596 7.902 5.035) 9.723 11.653 ( -1.807 -7.696 0.690) 7.935 12.223 ( 2.256 4.916 -11.422) 12.638 12.396 ( 1.525 -2.966 -5.034) 6.038 12.578 ( -2.863 1.714 4.659) 5.731 12.770 ( -7.634 -6.321 9.319) 13.605 13.149 ( 2.068 6.542 -4.177) 8.032 13.442 ( 1.395 -6.467 -2.201) 6.972 15.523 ( 2.523 1.360 -1.418) 3.198 15.622 ( 0.389 -2.832 -4.323) 5.183 16.310 ( -0.963 1.650 0.411) 1.954 16.369 ( -0.050 -0.121 -1.092) 1.100 16.993 ( -2.306 0.400 1.817) 2.963 17.008 ( -4.633 -0.178 4.608) 6.537 17.324 ( 2.724 2.981 -0.746) 4.106 17.378 ( 0.588 0.783 -1.425) 1.729 17.482 ( -0.953 1.187 0.429) 1.582 17.532 ( -1.277 0.392 1.759) 2.209 17.598 ( 0.358 -2.853 -0.165) 2.881 17.724 ( -0.517 -5.536 -0.816) 5.619 17.968 ( 1.441 -0.984 0.506) 1.817 18.012 ( 1.084 -2.610 0.073) 2.827 18.063 ( -0.296 2.286 0.745) 2.423 18.210 ( -1.401 -4.203 -1.741) 4.760 18.377 ( -1.652 1.349 0.749) 2.261 18.511 ( 0.746 -5.490 1.638) 5.777 18.600 ( 0.918 1.993 -0.206) 2.204 18.765 ( 1.195 -5.489 -1.290) 5.764 20.521 ( 0.034 0.117 0.312) 0.335 20.534 ( -0.391 -0.539 -0.032) 0.667 20.690 ( 0.650 -0.590 0.187) 0.898 20.725 ( 0.203 -2.295 -0.039) 2.304 21.515 ( -0.620 0.861 1.346) 1.714 21.526 ( -0.144 0.276 0.994) 1.042 21.619 ( 0.281 1.328 -0.684) 1.520 21.657 ( -0.635 -0.247 -1.436) 1.589 27.389 ( -0.950 0.781 0.468) 1.316 27.423 ( 0.249 -0.740 0.435) 0.894 27.470 ( 0.223 0.398 -0.582) 0.739 27.486 ( 0.140 -0.354 -0.287) 0.476 27.794 ( -0.495 1.106 0.363) 1.265 27.809 ( -0.994 0.705 0.522) 1.326 27.865 ( 0.430 1.189 0.173) 1.276 27.892 ( -0.002 0.240 -0.195) 0.309 35.253 ( 0.621 2.664 0.347) 2.758 35.398 ( 3.484 -4.229 0.801) 5.537 35.637 ( 4.573 3.697 -1.106) 5.983 35.743 ( 3.890 -0.393 0.037) 3.910 36.018 ( -1.319 0.655 3.266) 3.583 36.158 ( -3.144 -5.794 1.064) 6.677 36.505 ( -1.055 8.542 -0.125) 8.608 36.879 ( 2.029 -8.011 -4.914) 9.615 39.568 ( -2.124 2.814 3.041) 4.656 39.662 ( -1.763 -1.422 4.378) 4.929 39.860 ( 0.262 -1.372 -0.389) 1.450 40.038 ( -3.910 -9.880 -4.521) 11.548 40.844 ( 2.613 4.893 3.519) 6.569 40.997 ( -2.782 -1.311 5.976) 6.721 41.261 ( 1.381 11.680 -4.996) 12.779 41.681 ( 1.978 -6.621 -5.454) 8.803 ======================= Grid point 62 (33/80) ======================= q-point: ( 0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -4.140 11.066 4.476) 12.634 2.049 ( -1.312 14.153 5.550) 15.259 2.241 ( -0.346 -7.464 -1.762) 7.677 2.374 ( 2.408 2.566 -2.076) 4.085 2.576 ( -1.897 -4.554 1.884) 5.281 2.605 ( 1.887 3.167 0.507) 3.721 2.649 ( 1.809 0.776 -4.557) 4.964 2.775 ( -2.729 0.875 -3.705) 4.684 2.813 ( -0.856 17.902 3.334) 18.230 2.957 ( -2.549 4.812 2.078) 5.828 3.005 ( -3.461 3.162 4.377) 6.413 3.146 ( 1.367 4.171 -1.580) 4.665 3.247 ( 1.856 -1.713 -3.571) 4.374 3.287 ( 0.067 3.425 -1.434) 3.714 3.318 ( -3.414 0.825 3.026) 4.636 3.389 ( 3.188 0.358 0.446) 3.239 3.437 ( -2.896 0.277 -2.564) 3.878 3.521 ( 1.614 -3.517 -3.019) 4.908 3.625 ( -0.196 3.060 -0.623) 3.129 3.750 ( 2.047 3.205 0.500) 3.835 3.862 ( 3.119 2.239 -3.822) 5.417 3.938 ( 0.965 -1.741 -1.891) 2.745 4.004 ( -1.884 -2.153 0.054) 2.861 4.086 ( -2.989 2.821 -0.958) 4.220 4.101 ( -0.005 0.909 0.917) 1.292 4.208 ( 2.883 4.164 3.543) 6.181 4.345 ( 0.058 1.715 -0.077) 1.718 4.374 ( 1.253 -3.391 0.331) 3.630 4.591 ( -3.020 10.186 3.403) 11.156 4.695 ( 0.576 4.540 4.307) 6.285 4.719 ( 2.098 2.923 2.792) 4.554 4.782 ( -3.684 0.660 -2.347) 4.417 4.817 ( 1.579 1.755 2.020) 3.107 4.845 ( 0.818 3.954 -3.577) 5.394 4.942 ( -0.613 -3.042 -3.192) 4.452 5.078 ( -1.541 -5.527 1.705) 5.986 5.170 ( -0.688 -2.262 -0.252) 2.378 5.279 ( -0.734 -0.355 0.896) 1.212 5.333 ( -2.595 -2.379 4.466) 5.686 5.343 ( -0.207 -1.424 2.951) 3.283 5.431 ( 1.606 -1.113 -2.256) 2.985 5.469 ( 1.880 -3.040 3.561) 5.045 5.493 ( -1.955 -1.478 1.549) 2.899 5.652 ( -1.136 -7.952 0.075) 8.033 5.792 ( 3.563 3.522 -5.286) 7.283 5.874 ( 7.949 0.179 -8.380) 11.552 6.121 ( 0.391 3.418 -3.499) 4.907 6.219 ( -3.969 4.094 2.538) 6.241 6.250 ( 0.419 -2.342 -3.161) 3.956 6.298 ( -2.832 4.106 4.317) 6.597 6.375 ( -1.150 2.037 0.572) 2.408 6.598 ( -3.088 -2.324 -2.033) 4.367 6.618 ( 0.294 -4.672 1.973) 5.080 6.663 ( 0.265 -2.924 3.879) 4.865 6.696 ( 1.608 0.901 4.406) 4.776 6.749 ( -6.528 1.793 5.973) 9.028 6.935 ( -2.401 -4.215 0.367) 4.865 6.980 ( -1.265 -3.892 2.765) 4.939 7.014 ( 3.004 0.202 -1.243) 3.257 7.054 ( 1.882 -1.652 2.997) 3.905 7.158 ( 2.741 3.591 -1.702) 4.827 7.175 ( 0.691 0.537 0.469) 0.993 7.225 ( -2.831 3.129 -1.393) 4.444 7.271 ( -2.250 1.741 0.237) 2.855 7.334 ( -0.682 1.265 -3.063) 3.384 7.421 ( 5.348 -1.558 3.060) 6.355 7.477 ( -1.301 6.249 -0.664) 6.418 7.529 ( -0.633 2.211 0.148) 2.305 7.577 ( 0.028 8.823 -1.285) 8.916 7.639 ( 1.477 0.512 -1.715) 2.320 7.676 ( 4.683 -0.416 -4.285) 6.361 7.731 ( 2.922 -4.411 -2.038) 5.670 7.795 ( 1.046 2.689 1.932) 3.472 7.859 ( -3.717 -2.039 -1.031) 4.363 7.934 ( 1.591 3.769 -1.039) 4.221 8.042 ( 0.667 -4.289 -2.495) 5.006 8.058 ( -2.287 -3.203 -4.086) 5.673 8.113 ( 1.929 -3.342 -0.582) 3.903 8.202 ( 1.084 -0.985 1.974) 2.458 8.304 ( -1.636 -5.082 -1.823) 5.642 8.363 ( 3.478 1.352 3.920) 5.412 8.443 ( -2.796 0.236 -1.990) 3.440 8.549 ( 5.248 -0.058 3.567) 6.346 8.591 ( -2.202 -2.560 1.667) 3.766 8.791 ( 2.875 -2.408 0.532) 3.788 8.820 ( -4.144 -3.525 -3.985) 6.744 9.049 ( -0.386 5.254 -2.542) 5.849 9.148 ( -1.264 0.009 0.257) 1.289 9.500 ( -0.472 4.343 -3.606) 5.664 9.578 ( 1.088 3.708 -0.101) 3.866 9.633 ( -1.573 -2.388 -3.456) 4.486 9.783 ( 1.571 -6.604 1.908) 7.051 10.416 ( -0.908 5.831 3.064) 6.649 10.551 ( -0.912 -2.333 1.769) 3.066 10.638 ( 0.435 7.148 -1.034) 7.235 10.846 ( 0.480 -2.416 -2.484) 3.498 11.273 ( -2.479 7.055 5.761) 9.440 11.633 ( -0.858 -7.252 1.148) 7.392 12.165 ( 3.103 4.981 -9.012) 10.754 12.388 ( 3.113 -5.953 -5.297) 8.555 12.585 ( -2.683 2.150 7.530) 8.278 12.746 ( -4.892 -4.659 9.880) 11.969 13.141 ( 1.780 6.819 -4.607) 8.420 13.445 ( 1.171 -6.618 -2.106) 7.043 15.553 ( 2.474 0.021 -2.239) 3.337 15.579 ( -0.071 -0.492 -4.176) 4.205 16.311 ( -0.210 1.799 2.000) 2.698 16.373 ( 0.861 0.326 0.333) 0.979 16.967 ( -2.915 0.762 4.191) 5.161 16.990 ( -1.877 -1.071 3.965) 4.515 17.346 ( 0.164 4.130 -1.699) 4.469 17.379 ( 0.568 0.887 -0.270) 1.087 17.464 ( 0.730 0.176 -1.435) 1.619 17.539 ( -0.955 0.328 2.530) 2.724 17.594 ( -0.125 -4.172 -1.568) 4.458 17.708 ( -0.720 -4.398 0.322) 4.468 18.002 ( 1.117 -1.111 0.432) 1.633 18.030 ( 0.037 -2.581 0.885) 2.729 18.077 ( 1.959 1.213 -0.488) 2.356 18.164 ( -1.520 -2.535 -0.983) 3.115 18.356 ( -1.009 2.423 0.679) 2.711 18.527 ( -0.460 -5.943 0.849) 6.021 18.606 ( 0.343 1.668 -0.820) 1.890 18.773 ( 0.802 -5.946 -1.729) 6.244 20.527 ( 0.130 -0.148 0.505) 0.542 20.530 ( -0.212 -0.195 0.314) 0.426 20.697 ( 0.324 -0.737 -0.685) 1.057 20.717 ( -0.484 -1.780 -0.926) 2.064 21.515 ( -0.765 1.038 1.183) 1.750 21.530 ( -0.382 0.190 0.765) 0.876 21.619 ( 0.435 0.964 -0.785) 1.317 21.635 ( -0.088 0.462 -1.086) 1.183 27.379 ( -0.532 1.205 0.622) 1.457 27.430 ( 0.020 -1.144 0.481) 1.242 27.470 ( 0.369 0.249 -0.655) 0.792 27.485 ( 0.028 -0.445 -0.175) 0.479 27.791 ( -0.244 0.902 0.537) 1.078 27.798 ( -0.691 0.700 0.726) 1.223 27.870 ( -0.034 1.188 -0.109) 1.193 27.890 ( 0.123 0.477 -0.332) 0.594 35.303 ( 2.874 2.671 1.032) 4.057 35.417 ( -2.216 -2.425 1.673) 3.686 35.746 ( 7.526 0.889 -3.127) 8.198 35.819 ( 3.861 -1.151 -0.372) 4.046 35.995 ( -3.585 -0.418 -0.333) 3.624 36.092 ( -5.225 -4.700 4.324) 8.252 36.478 ( -0.804 9.036 -1.027) 9.130 36.872 ( 2.419 -8.188 -4.989) 9.888 39.573 ( -1.410 3.104 4.540) 5.678 39.670 ( -1.734 -1.356 3.988) 4.555 39.872 ( -0.085 -3.706 0.050) 3.708 39.954 ( -0.003 -7.944 -1.811) 8.148 40.877 ( -0.223 6.805 0.879) 6.865 40.999 ( -4.137 -1.858 4.178) 6.166 41.261 ( 3.296 9.997 -2.920) 10.923 41.671 ( 2.421 -6.979 -4.824) 8.822 ======================= Grid point 63 (34/80) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -2.655 16.577 3.043) 17.062 1.949 ( -8.651 14.987 1.954) 17.415 2.328 ( -1.204 -0.564 -2.342) 2.693 2.339 ( 5.596 -0.896 0.392) 5.680 2.540 ( -1.785 -8.728 0.223) 8.912 2.608 ( -3.938 1.772 1.708) 4.644 2.681 ( 2.045 1.653 -4.535) 5.243 2.746 ( 4.501 -3.767 1.552) 6.071 2.882 ( 3.366 18.173 4.491) 19.020 2.954 ( -0.026 2.955 0.669) 3.030 2.983 ( -0.234 1.390 0.141) 1.416 3.191 ( 0.025 7.000 -0.991) 7.070 3.232 ( 1.210 5.061 1.266) 5.355 3.244 ( 0.234 2.446 -2.665) 3.624 3.315 ( -0.184 -0.949 0.751) 1.224 3.377 ( -2.171 1.132 0.062) 2.449 3.439 ( 2.308 -2.529 -3.575) 4.950 3.554 ( 4.097 -1.758 -1.109) 4.594 3.627 ( 1.159 3.042 -1.176) 3.461 3.776 ( -0.696 6.614 -0.883) 6.709 3.816 ( -0.359 -1.073 -9.010) 9.081 3.926 ( -0.790 4.102 -4.409) 6.074 3.958 ( -4.922 1.814 1.038) 5.347 4.009 ( 1.413 3.099 3.285) 4.732 4.124 ( 0.054 -0.478 3.461) 3.494 4.201 ( -5.079 -1.120 0.054) 5.201 4.322 ( -2.909 -0.306 -0.744) 3.018 4.377 ( -0.947 -3.915 0.947) 4.137 4.539 ( -3.269 6.305 1.198) 7.202 4.671 ( -6.059 1.195 -1.136) 6.280 4.712 ( -2.193 1.432 2.457) 3.591 4.760 ( -0.778 1.600 3.569) 3.987 4.871 ( 3.021 1.422 -0.763) 3.425 4.908 ( 2.530 1.313 -1.486) 3.215 4.962 ( 6.160 0.820 -0.077) 6.214 5.026 ( -2.244 -0.618 -0.828) 2.471 5.132 ( -2.700 -4.027 1.052) 4.961 5.234 ( -2.207 -3.590 -2.898) 5.115 5.294 ( -1.116 -1.553 2.134) 2.866 5.448 ( 2.198 -2.010 1.653) 3.407 5.463 ( 3.710 0.976 4.124) 5.632 5.523 ( -0.078 -0.831 4.198) 4.280 5.586 ( 4.348 -5.233 5.416) 8.696 5.670 ( 1.149 -6.385 2.298) 6.883 5.810 ( 3.532 5.616 -5.316) 8.502 5.942 ( 6.729 -0.810 -7.509) 10.115 6.085 ( 0.073 5.231 -5.612) 7.672 6.140 ( -0.412 1.582 -3.366) 3.742 6.259 ( -5.341 0.201 5.704) 7.817 6.278 ( -1.604 2.887 4.071) 5.242 6.377 ( 0.851 -2.019 0.103) 2.193 6.518 ( -1.592 -0.085 -1.989) 2.549 6.605 ( -1.854 -3.871 0.373) 4.308 6.698 ( -2.548 -1.454 5.159) 5.935 6.714 ( -1.516 1.914 4.149) 4.814 6.779 ( 0.316 1.908 5.615) 5.939 6.872 ( -2.849 -2.341 -1.430) 3.955 6.951 ( -1.669 -3.175 -1.999) 4.106 7.003 ( -3.652 1.449 -0.465) 3.956 7.061 ( -4.822 1.776 -3.330) 6.123 7.115 ( -2.227 0.098 1.672) 2.786 7.171 ( -6.131 -0.980 -1.939) 6.504 7.205 ( 2.644 1.679 1.136) 3.332 7.243 ( 0.197 0.317 -0.731) 0.820 7.346 ( 5.888 3.567 1.817) 7.120 7.401 ( -3.393 5.776 -0.870) 6.756 7.471 ( 0.060 -2.254 -0.122) 2.258 7.555 ( 0.565 2.801 0.039) 2.857 7.621 ( 5.024 4.736 -4.370) 8.172 7.638 ( -1.272 3.555 2.610) 4.590 7.705 ( -0.350 0.717 -1.360) 1.577 7.747 ( -0.773 -4.348 -0.906) 4.508 7.775 ( -2.425 -0.660 -1.417) 2.886 7.818 ( 2.906 -2.488 -1.938) 4.288 7.943 ( 0.286 1.705 -4.399) 4.727 7.981 ( -1.173 0.341 -0.715) 1.415 8.014 ( 0.580 -3.834 -2.972) 4.886 8.145 ( 0.119 -5.869 -1.698) 6.111 8.200 ( -1.323 -4.286 1.022) 4.600 8.206 ( -2.668 -3.262 -3.095) 5.228 8.426 ( -2.194 -0.477 4.740) 5.245 8.463 ( 3.453 3.241 0.546) 4.767 8.577 ( -1.511 -0.814 2.855) 3.331 8.666 ( 0.368 -3.272 0.566) 3.341 8.742 ( 3.270 2.567 0.710) 4.218 8.874 ( 2.649 -1.172 -1.406) 3.220 9.002 ( -0.388 4.286 -1.847) 4.683 9.144 ( 2.450 -3.332 -2.742) 4.962 9.491 ( 2.477 4.659 -1.441) 5.470 9.564 ( -1.144 0.162 -3.782) 3.955 9.651 ( 2.710 0.862 1.812) 3.372 9.812 ( 1.528 -4.971 -0.301) 5.209 10.458 ( 0.924 3.574 4.951) 6.176 10.535 ( -1.833 -1.879 0.951) 2.791 10.655 ( 1.902 6.742 -0.230) 7.008 10.815 ( -0.291 -1.584 -3.426) 3.786 11.281 ( -2.764 7.519 5.352) 9.634 11.648 ( 0.612 -7.300 1.808) 7.546 12.172 ( 5.471 4.605 -6.330) 9.550 12.404 ( 5.203 -6.850 -7.840) 11.639 12.628 ( -1.875 2.127 9.138) 9.568 12.765 ( -4.324 -3.762 11.040) 12.440 13.131 ( 2.354 7.099 -4.872) 8.926 13.445 ( 1.085 -6.937 -2.224) 7.365 15.535 ( -0.460 0.690 -3.119) 3.227 15.583 ( 3.641 -0.714 -3.727) 5.258 16.334 ( -0.104 1.605 2.611) 3.066 16.400 ( 0.658 0.079 1.236) 1.402 16.976 ( -1.246 0.632 5.341) 5.521 17.011 ( -0.445 -0.885 4.405) 4.515 17.315 ( -0.509 4.867 -2.740) 5.608 17.391 ( 0.840 1.017 0.307) 1.354 17.474 ( 1.084 -1.668 -1.310) 2.382 17.506 ( -2.760 -1.496 -1.471) 3.467 17.601 ( 1.211 -1.837 1.413) 2.614 17.709 ( 0.615 -3.665 0.271) 3.726 17.998 ( -1.675 -1.219 0.188) 2.080 18.039 ( -0.502 -2.789 1.089) 3.036 18.087 ( -1.083 1.203 -0.092) 1.621 18.170 ( 3.242 -2.200 -0.865) 4.012 18.359 ( 0.448 1.376 1.159) 1.855 18.508 ( -1.695 -5.344 -0.520) 5.631 18.598 ( -0.323 1.276 -0.769) 1.524 18.762 ( 0.419 -5.488 -1.969) 5.846 20.529 ( -0.378 0.090 0.563) 0.684 20.538 ( 0.258 -0.551 0.784) 0.992 20.689 ( -0.545 -0.785 -1.022) 1.399 20.695 ( 0.235 -0.927 -1.771) 2.012 21.511 ( -0.704 0.954 0.976) 1.536 21.526 ( -0.689 0.171 0.648) 0.961 21.617 ( 0.344 1.164 -0.820) 1.465 21.641 ( 1.506 0.266 -0.861) 1.755 27.382 ( 0.047 1.053 0.750) 1.294 27.431 ( -0.465 -1.238 0.511) 1.418 27.470 ( 0.393 0.280 -0.761) 0.901 27.486 ( 0.168 -0.228 -0.083) 0.295 27.794 ( -0.075 0.825 0.503) 0.969 27.800 ( 0.035 0.583 1.023) 1.178 27.863 ( -0.262 1.433 -0.440) 1.522 27.890 ( 0.197 0.399 -0.284) 0.528 35.317 ( -3.601 2.201 1.703) 4.551 35.410 ( 0.871 -1.718 1.256) 2.299 35.773 ( -3.362 -0.468 -3.407) 4.809 35.842 ( -2.836 -1.856 -0.945) 3.519 35.936 ( 1.179 1.821 1.156) 2.459 36.072 ( -0.892 -5.238 3.133) 6.169 36.467 ( 1.337 9.395 -1.723) 9.645 36.872 ( 2.998 -8.688 -5.171) 10.545 39.598 ( -1.397 2.459 5.463) 6.151 39.669 ( -2.871 -1.084 3.985) 5.030 39.856 ( 0.300 -1.599 -0.633) 1.746 40.011 ( 5.265 -8.999 0.172) 10.428 40.867 ( -3.719 3.573 0.374) 5.171 40.935 ( -2.202 1.359 1.555) 3.019 41.305 ( 2.210 8.298 -0.683) 8.614 41.678 ( 3.227 -6.534 -4.670) 8.655 ======================= Grid point 64 (35/80) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -2.069 23.383 5.701) 24.157 1.836 ( -6.936 20.534 5.814) 22.441 2.263 ( 1.274 4.639 -2.883) 5.609 2.459 ( -2.398 -8.688 1.381) 9.118 2.496 ( -5.767 -4.598 2.637) 7.833 2.567 ( 8.106 -7.082 -1.899) 10.930 2.703 ( 1.090 0.617 0.392) 1.312 2.841 ( 3.712 -1.672 -2.684) 4.876 2.941 ( 2.868 1.517 -2.903) 4.353 3.002 ( 0.828 4.282 1.698) 4.680 3.020 ( 5.499 7.829 -0.125) 9.568 3.174 ( -4.558 3.821 1.173) 6.062 3.192 ( 0.236 5.290 1.802) 5.594 3.239 ( -3.119 16.123 -1.146) 16.462 3.326 ( -0.932 -0.576 -1.731) 2.049 3.344 ( 0.130 2.410 1.088) 2.647 3.462 ( 3.280 -3.863 -1.001) 5.166 3.580 ( -0.805 3.246 -2.270) 4.041 3.669 ( 4.418 4.164 -3.041) 6.790 3.698 ( 0.865 4.654 -3.402) 5.829 3.779 ( 1.125 3.437 -1.093) 3.778 3.861 ( -0.183 5.435 -0.894) 5.511 3.963 ( 1.195 1.868 -5.022) 5.489 4.036 ( -5.757 -2.549 0.951) 6.368 4.109 ( -1.098 2.168 7.713) 8.087 4.152 ( -1.567 -2.848 3.326) 4.651 4.266 ( -2.032 -2.353 1.573) 3.484 4.351 ( -1.923 2.199 0.316) 2.938 4.533 ( -1.302 -6.300 0.494) 6.452 4.542 ( -2.726 1.540 -0.577) 3.183 4.674 ( -3.570 1.096 1.491) 4.021 4.771 ( -1.279 -2.548 2.790) 3.989 4.879 ( 0.245 2.150 -2.687) 3.450 4.955 ( 0.981 -2.660 -2.145) 3.555 4.973 ( -0.062 0.289 1.304) 1.337 5.057 ( 2.841 -0.455 -0.769) 2.978 5.148 ( 3.111 5.985 0.004) 6.746 5.198 ( -0.533 -5.075 2.481) 5.674 5.313 ( 0.021 -1.493 3.631) 3.926 5.493 ( 1.075 -4.810 -2.144) 5.375 5.502 ( -3.632 -5.747 1.911) 7.062 5.575 ( 1.797 1.952 4.349) 5.095 5.702 ( -0.068 -0.789 -0.783) 1.114 5.718 ( 3.904 -2.330 2.035) 4.981 5.811 ( 1.128 1.101 -2.461) 2.923 5.920 ( -1.066 -2.153 -9.327) 9.631 6.039 ( 0.441 1.846 -1.636) 2.506 6.152 ( 2.569 -1.195 -4.662) 5.455 6.200 ( -2.050 5.202 5.506) 7.847 6.318 ( 1.671 4.221 4.803) 6.609 6.455 ( 6.132 -4.453 1.112) 7.660 6.476 ( -1.258 0.940 -0.483) 1.643 6.587 ( -0.357 -2.409 1.366) 2.792 6.664 ( -4.740 3.487 -0.882) 5.950 6.719 ( -1.404 -0.155 5.003) 5.198 6.789 ( -3.066 0.495 -0.724) 3.189 6.808 ( -8.779 0.362 0.072) 8.786 6.866 ( 1.491 -1.269 2.035) 2.824 6.937 ( -0.753 -3.182 0.477) 3.304 6.989 ( -2.494 0.747 -2.029) 3.301 7.055 ( -3.029 1.668 0.472) 3.489 7.097 ( 2.541 6.085 -0.498) 6.613 7.241 ( -1.756 0.718 2.789) 3.373 7.294 ( 2.299 1.400 3.323) 4.276 7.330 ( -3.040 1.209 -0.252) 3.281 7.410 ( -1.101 3.314 -0.104) 3.493 7.491 ( -9.243 -3.550 1.993) 10.100 7.539 ( -0.092 1.612 -2.413) 2.903 7.565 ( 4.081 -0.990 0.547) 4.235 7.663 ( 1.186 1.607 -2.841) 3.473 7.692 ( 0.956 2.128 0.360) 2.361 7.729 ( 2.471 2.158 -2.759) 4.287 7.771 ( -0.084 -1.041 2.208) 2.442 7.847 ( -0.097 -1.648 -1.928) 2.538 7.891 ( -0.290 0.522 -1.883) 1.975 7.991 ( 2.384 -7.912 -5.421) 9.883 8.009 ( 1.993 -3.156 -1.326) 3.961 8.106 ( -0.952 1.466 1.190) 2.115 8.149 ( -0.210 -6.676 -2.646) 7.184 8.195 ( -2.481 0.185 2.540) 3.555 8.402 ( -4.296 -1.205 2.578) 5.153 8.455 ( -7.260 -3.601 3.032) 8.652 8.592 ( 4.426 4.023 -1.536) 6.175 8.711 ( 4.021 -2.626 -0.533) 4.832 8.787 ( 0.790 3.234 -2.517) 4.174 8.888 ( 0.129 1.237 1.252) 1.764 9.041 ( 4.543 3.200 -0.343) 5.568 9.193 ( 4.775 -3.785 -2.361) 6.535 9.489 ( -1.263 3.820 -2.708) 4.849 9.549 ( 1.723 -1.028 -0.549) 2.080 9.674 ( 0.802 1.788 -1.859) 2.701 9.852 ( 2.074 -2.101 -0.885) 3.082 10.512 ( -1.027 -1.191 0.577) 1.675 10.525 ( -0.055 -0.465 4.378) 4.403 10.698 ( 2.067 4.943 -0.333) 5.368 10.778 ( 0.364 0.814 -2.773) 2.912 11.275 ( -2.908 8.766 4.658) 10.343 11.675 ( 0.052 -7.935 1.622) 8.099 12.231 ( 6.232 4.464 -5.654) 9.525 12.423 ( 5.249 -4.803 -8.765) 11.289 12.656 ( -2.947 1.926 3.917) 5.267 12.805 ( -4.298 -4.910 13.002) 14.547 13.135 ( 2.863 6.978 -4.586) 8.828 13.442 ( 1.018 -6.974 -2.404) 7.447 15.498 ( 0.088 2.139 -2.946) 3.642 15.618 ( 3.622 -2.649 -3.683) 5.806 16.347 ( -0.814 1.371 1.392) 2.117 16.410 ( -0.519 -0.611 0.342) 0.871 17.010 ( -0.872 0.686 4.395) 4.533 17.046 ( -1.072 -0.585 4.633) 4.791 17.282 ( 0.232 4.982 -2.675) 5.659 17.420 ( 0.437 0.292 0.754) 0.919 17.432 ( -0.207 0.253 -2.979) 2.997 17.493 ( 0.867 -3.265 0.442) 3.407 17.644 ( 0.589 -0.439 1.989) 2.120 17.723 ( 0.617 -4.725 -0.491) 4.790 17.962 ( -1.600 -1.052 0.081) 1.917 18.021 ( -1.809 -3.281 0.422) 3.771 18.071 ( -1.109 2.980 1.203) 3.399 18.221 ( 2.716 -3.737 -1.513) 4.861 18.394 ( 1.315 -0.868 1.729) 2.339 18.462 ( -1.832 -4.200 -0.643) 4.627 18.582 ( -0.444 1.878 -0.485) 1.989 18.761 ( 1.130 -5.402 -1.482) 5.714 20.525 ( -0.504 0.260 0.404) 0.697 20.549 ( -0.038 -1.037 0.606) 1.201 20.668 ( -0.163 -0.120 -0.803) 0.828 20.695 ( 0.956 -1.218 -0.791) 1.739 21.509 ( -0.435 0.694 0.962) 1.264 21.520 ( -0.716 0.275 0.851) 1.146 21.618 ( 0.510 1.527 -0.686) 1.750 21.665 ( 1.816 -0.541 -1.085) 2.183 27.393 ( 0.295 0.529 0.687) 0.916 27.424 ( -0.784 -0.843 0.448) 1.235 27.470 ( 0.429 0.513 -0.788) 1.033 27.488 ( 0.081 -0.070 -0.118) 0.159 27.799 ( -0.044 1.040 0.442) 1.131 27.815 ( 0.273 0.310 0.993) 1.076 27.854 ( -0.161 1.683 -0.433) 1.745 27.891 ( 0.144 0.186 -0.153) 0.281 35.269 ( -1.563 2.156 1.027) 2.854 35.407 ( -4.039 -4.557 0.995) 6.170 35.625 ( -4.733 4.772 -2.317) 7.109 35.767 ( -4.913 -0.390 0.868) 5.004 35.970 ( -0.166 1.249 2.856) 3.122 36.120 ( 3.548 -6.303 -0.138) 7.234 36.491 ( 2.155 9.127 -1.013) 9.433 36.883 ( 3.240 -8.857 -4.891) 10.624 39.619 ( -2.171 1.389 4.432) 5.127 39.642 ( -3.040 -0.299 3.530) 4.668 39.872 ( 1.067 0.459 -0.290) 1.197 40.122 ( 5.683 -11.577 -1.039) 12.938 40.756 ( -5.149 5.450 -0.218) 7.500 40.965 ( 0.020 -2.867 4.854) 5.637 41.314 ( 0.366 11.004 -2.358) 11.260 41.694 ( 3.300 -6.039 -4.986) 8.498 ======================= Grid point 65 (36/80) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -4.059 -16.011 4.028) 17.002 2.120 ( -4.059 16.011 4.028) 17.002 2.212 ( -1.241 -11.730 5.000) 12.812 2.212 ( -1.241 11.730 5.000) 12.812 2.469 ( 2.640 -7.358 0.104) 7.818 2.469 ( 2.640 7.358 0.104) 7.818 2.784 ( 0.128 -5.027 -3.654) 6.216 2.784 ( 0.128 5.027 -3.654) 6.216 2.999 ( 3.511 -2.535 -1.621) 4.623 2.999 ( 3.511 2.535 -1.621) 4.624 3.164 ( -0.951 -0.983 -1.601) 2.105 3.164 ( -0.951 0.983 -1.601) 2.105 3.286 ( 1.421 -2.153 1.867) 3.184 3.286 ( 1.421 2.153 1.867) 3.184 3.374 ( 0.365 -5.727 2.095) 6.109 3.374 ( 0.365 5.727 2.095) 6.109 3.551 ( -3.382 -6.487 -2.371) 7.691 3.551 ( -3.382 6.487 -2.371) 7.691 3.764 ( 1.008 -2.076 -5.089) 5.587 3.764 ( 1.008 2.076 -5.089) 5.587 3.877 ( 1.411 -5.674 0.923) 5.919 3.877 ( 1.411 5.674 0.923) 5.919 4.016 ( 3.436 -4.789 3.282) 6.746 4.016 ( 3.436 4.789 3.282) 6.746 4.115 ( -2.959 -4.848 -0.870) 5.746 4.115 ( -2.959 4.848 -0.870) 5.746 4.274 ( -0.530 -4.564 2.578) 5.269 4.274 ( -0.530 4.564 2.578) 5.269 4.514 ( 1.610 -1.836 5.702) 6.203 4.514 ( 1.610 1.836 5.702) 6.203 4.688 ( 0.100 -3.660 0.550) 3.703 4.688 ( 0.100 3.660 0.550) 3.703 4.894 ( -0.684 -2.056 -2.666) 3.436 4.894 ( -0.684 2.056 -2.666) 3.436 5.051 ( 1.975 -3.652 3.738) 5.587 5.051 ( 1.975 3.652 3.738) 5.587 5.207 ( -1.718 -4.309 1.882) 5.006 5.207 ( -1.718 4.309 1.882) 5.006 5.323 ( -2.415 -6.107 -3.575) 7.477 5.323 ( -2.415 6.107 -3.575) 7.477 5.519 ( -2.830 -7.852 -0.925) 8.398 5.519 ( -2.830 7.852 -0.925) 8.398 5.678 ( -2.709 -3.935 1.415) 4.982 5.678 ( -2.709 3.935 1.415) 4.982 5.818 ( 2.771 -2.095 -8.077) 8.793 5.818 ( 2.771 2.095 -8.077) 8.793 6.080 ( 1.917 -1.487 1.010) 2.628 6.080 ( 1.917 1.487 1.010) 2.628 6.409 ( -1.054 -6.433 0.467) 6.536 6.409 ( -1.054 6.433 0.467) 6.536 6.471 ( 1.076 -2.722 1.745) 3.408 6.471 ( 1.076 2.723 1.745) 3.408 6.611 ( -4.919 -1.279 0.021) 5.083 6.611 ( -4.919 1.279 0.021) 5.083 6.726 ( 5.837 -1.565 2.379) 6.495 6.726 ( 5.837 1.565 2.379) 6.495 6.860 ( 4.634 -3.680 4.471) 7.417 6.860 ( 4.634 3.680 4.471) 7.417 6.931 ( -2.588 -3.505 3.492) 5.584 6.931 ( -2.588 3.505 3.492) 5.584 7.103 ( -0.300 -4.113 0.017) 4.124 7.103 ( -0.300 4.113 0.017) 4.124 7.296 ( -3.807 -2.184 2.498) 5.051 7.296 ( -3.807 2.184 2.498) 5.051 7.367 ( -0.270 -1.344 1.067) 1.738 7.367 ( -0.270 1.344 1.067) 1.738 7.499 ( -2.293 -7.677 -2.284) 8.332 7.499 ( -2.293 7.677 -2.284) 8.332 7.607 ( 1.332 -4.313 -2.520) 5.170 7.607 ( 1.332 4.313 -2.520) 5.170 7.703 ( 3.039 -4.107 -3.795) 6.364 7.703 ( 3.039 4.107 -3.795) 6.364 7.781 ( -0.415 -2.214 1.652) 2.794 7.781 ( -0.415 2.214 1.652) 2.794 7.966 ( 2.085 -1.270 2.954) 3.832 7.966 ( 2.085 1.270 2.954) 3.832 8.023 ( 4.248 -4.515 -4.102) 7.434 8.023 ( 4.248 4.515 -4.102) 7.434 8.170 ( -2.211 -0.702 0.372) 2.350 8.170 ( -2.211 0.702 0.372) 2.350 8.322 ( -3.333 -1.676 2.810) 4.671 8.322 ( -3.333 1.676 2.810) 4.671 8.686 ( -0.136 -2.531 -1.302) 2.850 8.686 ( -0.136 2.531 -1.302) 2.850 8.855 ( 0.773 -3.068 -1.824) 3.652 8.855 ( 0.773 3.068 -1.824) 3.652 9.169 ( 0.078 -3.475 -0.621) 3.531 9.169 ( 0.078 3.475 -0.621) 3.531 9.526 ( 2.201 -1.520 0.621) 2.746 9.526 ( 2.201 1.520 0.621) 2.746 9.769 ( -0.089 -5.038 -4.048) 6.463 9.769 ( -0.089 5.038 -4.048) 6.463 10.507 ( -1.423 -1.193 2.179) 2.863 10.507 ( -1.423 1.193 2.179) 2.863 10.773 ( 0.713 -3.049 -1.329) 3.402 10.773 ( 0.713 3.049 -1.329) 3.402 11.478 ( -1.795 -10.773 2.343) 11.170 11.478 ( -1.795 10.773 2.343) 11.170 12.350 ( 4.395 -3.878 -8.870) 10.632 12.350 ( 4.395 3.878 -8.870) 10.632 12.696 ( -6.115 -5.359 7.195) 10.857 12.696 ( -6.115 5.359 7.195) 10.857 13.291 ( 2.274 -7.509 -3.820) 8.726 13.291 ( 2.274 7.509 -3.820) 8.726 15.558 ( 1.298 -3.825 -1.741) 4.399 15.558 ( 1.298 3.825 -1.741) 4.399 16.365 ( -0.734 -1.666 -0.820) 1.997 16.365 ( -0.734 1.666 -0.820) 1.997 17.035 ( -2.830 -1.024 3.519) 4.630 17.035 ( -2.830 1.024 3.519) 4.630 17.370 ( 1.482 -2.727 -3.259) 4.500 17.370 ( 1.482 2.727 -3.259) 4.500 17.479 ( 0.963 -1.773 2.436) 3.163 17.479 ( 0.963 1.773 2.436) 3.163 17.642 ( -1.101 -2.245 -0.453) 2.542 17.642 ( -1.101 2.245 -0.453) 2.542 17.954 ( -0.323 -1.438 0.840) 1.696 17.954 ( -0.323 1.438 0.840) 1.696 18.141 ( -0.243 -4.550 -0.425) 4.576 18.141 ( -0.243 4.550 -0.425) 4.576 18.410 ( -0.059 -1.709 1.511) 2.282 18.410 ( -0.059 1.709 1.511) 2.282 18.658 ( 0.903 -4.716 -1.126) 4.932 18.658 ( 0.903 4.716 -1.126) 4.932 20.529 ( -0.273 -0.567 0.056) 0.631 20.529 ( -0.273 0.567 0.056) 0.631 20.680 ( 0.642 -1.024 -0.034) 1.209 20.680 ( 0.642 1.024 -0.034) 1.209 21.521 ( -0.374 -0.188 1.170) 1.243 21.521 ( -0.374 0.188 1.170) 1.243 21.651 ( 0.389 -1.444 -0.960) 1.777 21.651 ( 0.389 1.444 -0.960) 1.777 27.407 ( -0.274 -0.411 0.469) 0.681 27.407 ( -0.274 0.411 0.469) 0.681 27.481 ( 0.184 -0.460 -0.504) 0.706 27.481 ( 0.184 0.460 -0.504) 0.706 27.819 ( -0.421 -0.604 0.614) 0.959 27.819 ( -0.421 0.604 0.614) 0.959 27.882 ( 0.216 -1.067 -0.172) 1.102 27.882 ( 0.216 1.067 -0.172) 1.102 35.298 ( -0.620 -0.514 0.548) 0.974 35.298 ( -0.620 0.514 0.548) 0.974 35.669 ( 0.034 -3.068 -0.491) 3.107 35.669 ( 0.034 3.068 -0.491) 3.107 36.056 ( 0.082 -4.352 2.532) 5.036 36.056 ( 0.082 4.352 2.532) 5.036 36.702 ( 1.565 -9.561 -2.745) 10.070 36.702 ( 1.565 9.561 -2.745) 10.070 39.627 ( -1.940 -1.461 2.858) 3.751 39.627 ( -1.940 1.461 2.858) 3.751 39.943 ( -0.694 -6.617 -2.114) 6.981 39.943 ( -0.694 6.617 -2.114) 6.981 40.881 ( -0.405 -6.530 5.043) 8.260 40.881 ( -0.405 6.530 5.043) 8.260 41.530 ( 1.691 -10.160 -5.232) 11.553 41.530 ( 1.691 10.160 -5.232) 11.553 ======================= Grid point 67 (37/80) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -6.343 -11.910 2.237) 13.678 2.043 ( -6.343 11.910 2.237) 13.678 2.271 ( 1.925 -7.095 4.285) 8.510 2.271 ( 1.925 7.095 4.285) 8.510 2.509 ( 1.328 -1.715 0.492) 2.224 2.509 ( 1.328 1.715 0.492) 2.224 2.757 ( 0.157 -4.248 -1.938) 4.672 2.757 ( 0.157 4.248 -1.938) 4.672 3.021 ( -0.044 -1.998 -0.239) 2.013 3.021 ( -0.044 1.998 -0.239) 2.013 3.169 ( 2.457 -2.082 -3.040) 4.429 3.169 ( 2.457 2.082 -3.040) 4.429 3.318 ( -2.404 -3.602 3.707) 5.701 3.318 ( -2.404 3.602 3.707) 5.701 3.363 ( -2.672 -8.839 -0.555) 9.251 3.363 ( -2.672 8.839 -0.555) 9.251 3.457 ( -0.649 -2.926 -2.376) 3.825 3.457 ( -0.649 2.926 -2.376) 3.825 3.759 ( 1.180 -4.158 -1.934) 4.735 3.759 ( 1.180 4.158 -1.934) 4.735 3.870 ( -1.223 -5.427 -0.326) 5.572 3.870 ( -1.223 5.427 -0.326) 5.572 4.055 ( -1.251 -5.012 -1.845) 5.485 4.055 ( -1.251 5.012 -1.845) 5.485 4.145 ( 3.928 -3.336 2.698) 5.817 4.145 ( 3.928 3.336 2.698) 5.817 4.309 ( 2.358 -1.456 2.976) 4.066 4.309 ( 2.358 1.456 2.976) 4.066 4.639 ( 3.644 -0.616 6.233) 7.246 4.639 ( 3.644 0.616 6.233) 7.246 4.732 ( 2.246 -3.706 2.791) 5.155 4.732 ( 2.246 3.706 2.791) 5.155 4.849 ( -1.213 -1.307 -2.783) 3.305 4.849 ( -1.213 1.307 -2.783) 3.305 5.050 ( -4.651 -2.946 -1.793) 5.790 5.050 ( -4.651 2.946 -1.793) 5.790 5.205 ( 1.218 -5.465 4.984) 7.496 5.205 ( 1.218 5.465 4.984) 7.496 5.281 ( 1.132 -2.164 -2.123) 3.236 5.281 ( 1.132 2.164 -2.123) 3.236 5.446 ( -2.633 -4.854 -2.011) 5.876 5.446 ( -2.633 4.854 -2.011) 5.877 5.602 ( -5.712 -4.014 0.688) 7.015 5.602 ( -5.712 4.014 0.688) 7.015 5.817 ( 5.324 -1.614 -8.015) 9.757 5.817 ( 5.324 1.614 -8.015) 9.757 6.160 ( 3.823 -2.317 0.070) 4.470 6.160 ( 3.823 2.317 0.070) 4.470 6.361 ( -4.331 -1.078 3.727) 5.814 6.361 ( -4.331 1.078 3.727) 5.814 6.485 ( -1.473 -4.064 0.485) 4.350 6.485 ( -1.473 4.064 0.485) 4.350 6.556 ( 0.524 -1.510 0.522) 1.681 6.556 ( 0.524 1.510 0.522) 1.681 6.816 ( -3.796 -4.475 3.548) 6.857 6.816 ( -3.796 4.475 3.548) 6.857 6.924 ( -1.283 -2.659 1.438) 3.284 6.924 ( -1.283 2.659 1.438) 3.284 6.980 ( 5.297 -3.848 1.394) 6.693 6.980 ( 5.297 3.848 1.394) 6.693 7.141 ( 0.651 -4.997 1.445) 5.242 7.141 ( 0.651 4.997 1.445) 5.242 7.247 ( 0.897 -0.989 1.397) 1.932 7.247 ( 0.897 0.989 1.397) 1.932 7.365 ( -0.880 -0.323 1.455) 1.731 7.365 ( -0.880 0.323 1.455) 1.731 7.485 ( 2.182 -3.048 -0.185) 3.753 7.485 ( 2.182 3.048 -0.185) 3.753 7.610 ( 2.414 -3.646 -4.075) 5.978 7.610 ( 2.414 3.646 -4.075) 5.978 7.739 ( 3.016 -3.114 -2.081) 4.808 7.739 ( 3.016 3.114 -2.081) 4.808 7.820 ( 1.658 -2.890 0.909) 3.454 7.820 ( 1.658 2.890 0.909) 3.454 7.982 ( -0.156 -2.919 -1.260) 3.183 7.982 ( -0.156 2.919 -1.260) 3.183 8.063 ( 1.209 -5.368 -1.378) 5.672 8.063 ( 1.209 5.368 -1.378) 5.672 8.165 ( 1.151 -0.502 1.735) 2.142 8.165 ( 1.151 0.502 1.735) 2.142 8.333 ( 1.324 -2.827 3.561) 4.736 8.333 ( 1.324 2.827 3.561) 4.736 8.617 ( -4.090 -2.057 -2.503) 5.217 8.617 ( -4.090 2.057 -2.503) 5.217 8.845 ( -0.954 -3.145 -2.121) 3.911 8.845 ( -0.954 3.145 -2.121) 3.911 9.134 ( -1.386 -2.647 -0.411) 3.016 9.134 ( -1.386 2.647 -0.411) 3.016 9.596 ( 2.631 -2.339 1.847) 3.975 9.596 ( 2.631 2.339 1.847) 3.975 9.690 ( -2.745 -2.645 -5.191) 6.441 9.690 ( -2.745 2.645 -5.191) 6.441 10.501 ( -1.514 -2.325 2.341) 3.630 10.501 ( -1.514 2.325 2.341) 3.630 10.772 ( 0.696 -4.689 -1.424) 4.950 10.772 ( 0.696 4.689 -1.424) 4.950 11.461 ( -2.315 -10.322 2.640) 10.903 11.461 ( -2.315 10.322 2.640) 10.903 12.317 ( 2.553 -4.360 -10.211) 11.392 12.317 ( 2.553 4.360 -10.211) 11.392 12.652 ( -5.912 -5.038 8.656) 11.630 12.652 ( -5.912 5.038 8.656) 11.630 13.296 ( 2.087 -7.553 -3.780) 8.700 13.296 ( 2.087 7.553 -3.780) 8.700 15.564 ( 1.048 -2.660 -1.824) 3.391 15.564 ( 1.048 2.660 -1.824) 3.391 16.347 ( -0.071 -1.766 -0.673) 1.892 16.347 ( -0.071 1.766 -0.673) 1.892 17.003 ( -3.673 -0.503 3.318) 4.976 17.003 ( -3.673 0.503 3.318) 4.976 17.378 ( 2.036 -1.280 -2.196) 3.256 17.378 ( 2.036 1.280 -2.196) 3.256 17.511 ( -0.573 -3.146 2.339) 3.962 17.511 ( -0.573 3.146 2.339) 3.962 17.610 ( -0.863 -4.976 -1.019) 5.152 17.610 ( -0.863 4.976 -1.019) 5.152 17.970 ( 0.995 -1.202 0.698) 1.709 17.970 ( 0.995 1.202 0.698) 1.709 18.128 ( -0.473 -3.737 -0.574) 3.810 18.128 ( -0.473 3.737 -0.574) 3.810 18.423 ( -0.343 -3.212 1.475) 3.551 18.423 ( -0.343 3.212 1.475) 3.551 18.666 ( 0.952 -4.210 -1.054) 4.443 18.666 ( 0.952 4.210 -1.054) 4.443 20.526 ( -0.094 -0.316 0.085) 0.340 20.526 ( -0.094 0.316 0.085) 0.340 20.691 ( 0.471 -0.883 -0.112) 1.008 20.691 ( 0.471 0.883 -0.112) 1.008 21.526 ( -0.361 -0.243 1.216) 1.291 21.526 ( -0.361 0.243 1.216) 1.291 21.643 ( -0.074 -1.026 -1.007) 1.440 21.643 ( -0.074 1.026 -1.007) 1.440 27.406 ( -0.324 -0.873 0.499) 1.057 27.406 ( -0.324 0.873 0.499) 1.057 27.479 ( 0.114 -0.420 -0.527) 0.684 27.479 ( 0.114 0.420 -0.527) 0.684 27.811 ( -0.847 -0.434 0.618) 1.135 27.811 ( -0.847 0.434 0.618) 1.135 27.886 ( 0.317 -0.768 -0.175) 0.849 27.886 ( 0.317 0.768 -0.175) 0.849 35.317 ( 1.761 -3.614 0.699) 4.081 35.317 ( 1.761 3.614 0.699) 4.081 35.709 ( 4.260 -2.928 -1.004) 5.266 35.709 ( 4.260 2.928 -1.004) 5.266 36.059 ( -2.719 -3.536 2.827) 5.281 36.059 ( -2.719 3.536 2.827) 5.281 36.695 ( 0.719 -9.649 -2.802) 10.074 36.695 ( 0.719 9.649 -2.802) 10.074 39.624 ( -1.591 -2.429 3.274) 4.376 39.624 ( -1.591 2.429 3.274) 4.376 39.889 ( -1.902 -4.404 -2.224) 5.288 39.889 ( -1.902 4.404 -2.224) 5.288 40.935 ( -0.066 -4.040 5.298) 6.663 40.935 ( -0.066 4.040 5.298) 6.663 41.501 ( 1.404 -10.791 -5.688) 12.279 41.501 ( 1.404 10.791 -5.688) 12.279 ======================= Grid point 69 (38/80) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -2.964 -14.813 3.492) 15.505 1.973 ( -2.964 14.813 3.492) 15.505 2.329 ( -0.487 -11.800 2.249) 12.022 2.329 ( -0.487 11.800 2.249) 12.022 2.547 ( 2.674 -6.087 -0.682) 6.684 2.547 ( 2.674 6.087 -0.682) 6.684 2.716 ( -2.256 -3.903 -2.362) 5.089 2.716 ( -2.256 3.903 -2.362) 5.089 3.020 ( -0.225 -1.641 0.021) 1.656 3.020 ( -0.225 1.641 0.021) 1.656 3.163 ( -0.411 -1.294 -1.371) 1.930 3.163 ( -0.411 1.294 -1.371) 1.930 3.248 ( -2.268 -9.310 0.785) 9.614 3.248 ( -2.268 9.310 0.785) 9.615 3.377 ( 2.375 -3.588 -0.309) 4.314 3.377 ( 2.375 3.588 -0.309) 4.314 3.437 ( -0.481 -2.243 -1.384) 2.679 3.437 ( -0.481 2.243 -1.384) 2.679 3.747 ( -1.111 -8.924 -1.198) 9.073 3.747 ( -1.111 8.924 -1.198) 9.073 3.874 ( 1.930 -4.810 0.542) 5.211 3.874 ( 1.930 4.810 0.542) 5.211 4.028 ( -0.502 -3.700 -0.080) 3.735 4.028 ( -0.502 3.700 -0.080) 3.735 4.181 ( -0.545 -5.366 -0.321) 5.403 4.181 ( -0.545 5.366 -0.321) 5.403 4.377 ( 1.016 -2.283 -1.561) 2.947 4.377 ( 1.016 2.284 -1.561) 2.947 4.725 ( -0.290 -1.362 0.848) 1.630 4.725 ( -0.290 1.362 0.848) 1.630 4.781 ( -0.414 -5.060 2.596) 5.702 4.781 ( -0.414 5.060 2.596) 5.702 4.830 ( 2.431 -2.384 -0.338) 3.422 4.830 ( 2.431 2.384 -0.338) 3.422 4.971 ( -3.014 -4.824 2.535) 6.227 4.971 ( -3.014 4.824 2.535) 6.227 5.230 ( -2.423 -5.725 -3.597) 7.182 5.230 ( -2.423 5.725 -3.597) 7.182 5.315 ( 2.110 -2.005 4.664) 5.498 5.315 ( 2.110 2.005 4.664) 5.498 5.422 ( 0.455 -4.593 2.539) 5.268 5.422 ( 0.455 4.593 2.539) 5.268 5.522 ( -2.206 -2.906 1.428) 3.918 5.522 ( -2.206 2.906 1.428) 3.918 5.857 ( 6.971 -2.125 -8.158) 10.939 5.857 ( 6.971 2.125 -8.158) 10.939 6.185 ( 1.214 -3.161 -2.860) 4.432 6.185 ( 1.214 3.161 -2.860) 4.432 6.317 ( -5.404 -3.276 3.923) 7.438 6.317 ( -5.404 3.276 3.923) 7.438 6.460 ( -0.919 -6.787 -0.176) 6.851 6.460 ( -0.919 6.787 -0.176) 6.851 6.599 ( 1.314 -2.179 1.913) 3.183 6.599 ( 1.314 2.179 1.913) 3.183 6.758 ( -3.610 -3.923 4.492) 6.972 6.758 ( -3.610 3.923 4.492) 6.972 6.901 ( -3.270 -2.834 3.505) 5.568 6.901 ( -3.270 2.834 3.505) 5.568 7.024 ( 0.810 -0.962 -0.474) 1.344 7.024 ( 0.810 0.962 -0.474) 1.344 7.197 ( 3.389 -0.410 -1.209) 3.621 7.197 ( 3.389 0.410 -1.209) 3.621 7.300 ( -0.629 -2.906 -3.094) 4.291 7.300 ( -0.629 2.906 -3.094) 4.291 7.346 ( 0.038 -3.836 3.143) 4.959 7.346 ( 0.038 3.836 3.143) 4.959 7.560 ( 2.739 -3.569 2.484) 5.139 7.560 ( 2.739 3.569 2.484) 5.139 7.622 ( 3.394 -3.290 -4.329) 6.410 7.622 ( 3.394 3.290 -4.329) 6.410 7.748 ( -0.509 -1.118 -2.630) 2.902 7.748 ( -0.509 1.118 -2.630) 2.902 7.831 ( 0.208 -2.666 0.708) 2.766 7.831 ( 0.208 2.666 0.708) 2.766 7.933 ( -1.475 -3.755 -4.382) 5.956 7.933 ( -1.475 3.755 -4.382) 5.956 8.055 ( -0.512 -0.649 -1.953) 2.120 8.055 ( -0.512 0.649 -1.953) 2.120 8.212 ( 0.681 -2.449 0.289) 2.558 8.212 ( 0.681 2.449 0.289) 2.558 8.419 ( 1.706 -2.938 4.728) 5.822 8.419 ( 1.706 2.938 4.728) 5.822 8.558 ( 1.146 -1.550 0.295) 1.950 8.558 ( 1.146 1.550 0.295) 1.950 8.776 ( -1.720 -1.050 -2.328) 3.079 8.776 ( -1.720 1.050 -2.328) 3.079 9.125 ( -0.340 -2.416 -0.902) 2.602 9.125 ( -0.340 2.416 -0.902) 2.602 9.574 ( -1.107 -3.293 -4.638) 5.795 9.574 ( -1.107 3.293 -4.638) 5.795 9.670 ( 1.035 -4.843 2.335) 5.475 9.670 ( 1.035 4.843 2.335) 5.475 10.499 ( -1.354 -2.954 2.708) 4.230 10.499 ( -1.354 2.954 2.708) 4.230 10.769 ( 0.673 -5.146 -1.764) 5.482 10.769 ( 0.673 5.146 -1.764) 5.482 11.452 ( -1.699 -9.748 3.454) 10.481 11.452 ( -1.699 9.748 3.454) 10.481 12.271 ( 3.218 -5.461 -8.787) 10.835 12.271 ( 3.218 5.461 -8.787) 10.835 12.654 ( -3.829 -4.199 9.792) 11.322 12.654 ( -3.829 4.199 9.792) 11.322 13.294 ( 1.834 -7.865 -4.035) 9.028 13.294 ( 1.834 7.865 -4.035) 9.028 15.561 ( 0.869 -0.956 -2.095) 2.461 15.561 ( 0.869 0.956 -2.095) 2.461 16.353 ( 0.578 -1.983 0.703) 2.182 16.353 ( 0.578 1.983 0.703) 2.182 16.978 ( -2.524 -0.400 4.141) 4.866 16.978 ( -2.524 0.400 4.141) 4.866 17.396 ( 1.627 -0.113 -1.488) 2.208 17.396 ( 1.627 0.113 -1.488) 2.208 17.493 ( -1.748 -4.161 -0.860) 4.595 17.493 ( -1.748 4.161 -0.860) 4.595 17.605 ( 0.206 -4.906 0.969) 5.005 17.605 ( 0.206 4.906 0.969) 5.005 17.995 ( 0.657 -0.617 0.571) 1.068 17.995 ( 0.657 0.617 0.571) 1.068 18.117 ( 0.065 -2.188 -0.395) 2.224 18.117 ( 0.065 2.188 -0.395) 2.224 18.423 ( -0.853 -4.165 0.953) 4.357 18.423 ( -0.853 4.165 0.953) 4.357 18.669 ( 0.602 -4.221 -1.468) 4.510 18.669 ( 0.602 4.221 -1.468) 4.510 20.527 ( 0.005 -0.109 0.299) 0.318 20.527 ( 0.005 0.109 0.299) 0.318 20.692 ( 0.080 -0.493 -0.743) 0.895 20.692 ( 0.080 0.493 -0.743) 0.895 21.529 ( -0.587 -0.352 0.997) 1.209 21.529 ( -0.587 0.352 0.997) 1.209 21.634 ( 0.221 -0.485 -0.924) 1.067 21.634 ( 0.221 0.485 -0.924) 1.067 27.405 ( -0.310 -1.296 0.562) 1.446 27.405 ( -0.310 1.296 0.562) 1.446 27.477 ( 0.235 -0.419 -0.473) 0.675 27.477 ( 0.235 0.419 -0.473) 0.675 27.804 ( -0.595 -0.214 0.745) 0.977 27.804 ( -0.594 0.214 0.745) 0.977 27.888 ( 0.166 -0.580 -0.319) 0.683 27.888 ( 0.166 0.580 -0.319) 0.683 35.361 ( 1.203 -2.961 1.224) 3.422 35.361 ( 1.203 2.961 1.224) 3.422 35.779 ( 3.952 -2.232 -2.162) 5.027 35.779 ( 3.952 2.232 -2.162) 5.027 36.018 ( -3.998 -2.511 2.933) 5.558 36.018 ( -3.998 2.511 2.933) 5.558 36.679 ( 0.984 -10.217 -3.368) 10.803 36.679 ( 0.984 10.217 -3.368) 10.803 39.632 ( -1.465 -2.471 4.041) 4.958 39.632 ( -1.465 2.471 4.041) 4.958 39.852 ( -0.044 -1.919 -0.759) 2.064 39.852 ( -0.044 1.919 -0.759) 2.064 40.959 ( -2.138 -2.409 3.154) 4.508 40.959 ( -2.138 2.409 3.154) 4.508 41.486 ( 2.624 -10.806 -4.622) 12.042 41.486 ( 2.624 10.806 -4.622) 12.042 ======================= Grid point 71 (39/80) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 1.944 -14.865 4.903) 15.773 2.010 ( 1.944 14.865 4.903) 15.773 2.291 ( -3.836 -12.570 0.152) 13.143 2.291 ( -3.836 12.570 0.152) 13.143 2.532 ( -4.040 -9.148 -1.093) 10.060 2.532 ( -4.040 9.148 -1.093) 10.060 2.698 ( 3.014 -1.099 -0.801) 3.306 2.698 ( 3.014 1.099 -0.801) 3.306 2.993 ( -0.632 -1.543 -2.328) 2.863 2.993 ( -0.632 1.543 -2.328) 2.863 3.176 ( 2.383 -7.381 0.339) 7.764 3.176 ( 2.383 7.381 0.339) 7.764 3.263 ( 1.813 -3.596 -0.432) 4.051 3.263 ( 1.813 3.596 -0.432) 4.051 3.383 ( -1.773 -1.886 -1.940) 3.235 3.383 ( -1.773 1.886 -1.940) 3.235 3.456 ( 3.900 -6.765 1.609) 7.972 3.456 ( 3.900 6.765 1.609) 7.972 3.720 ( 1.089 -6.233 -2.641) 6.857 3.720 ( 1.089 6.233 -2.641) 6.857 3.922 ( 0.558 -4.730 2.218) 5.254 3.922 ( 0.558 4.730 2.218) 5.254 4.028 ( 0.232 -2.037 -1.567) 2.580 4.028 ( 0.232 2.037 -1.567) 2.580 4.138 ( -2.406 -3.634 -0.528) 4.391 4.138 ( -2.406 3.634 -0.528) 4.391 4.316 ( -3.263 -0.844 -2.069) 3.955 4.316 ( -3.263 0.844 -2.069) 3.955 4.654 ( -6.838 -2.406 -0.358) 7.258 4.654 ( -6.838 2.406 -0.358) 7.258 4.749 ( -3.909 -2.977 2.045) 5.322 4.749 ( -3.909 2.977 2.045) 5.322 4.891 ( 4.131 -1.130 -2.908) 5.176 4.891 ( 4.131 1.130 -2.908) 5.176 5.010 ( 1.570 -3.577 5.218) 6.518 5.010 ( 1.570 3.577 5.218) 6.518 5.135 ( -2.483 -4.560 -1.730) 5.473 5.135 ( -2.483 4.560 -1.730) 5.473 5.366 ( 1.218 -5.388 -1.940) 5.855 5.366 ( 1.218 5.388 -1.940) 5.855 5.483 ( 0.241 -1.305 7.272) 7.392 5.483 ( 0.241 1.305 7.272) 7.392 5.568 ( 3.050 -2.640 4.222) 5.840 5.568 ( 3.050 2.640 4.222) 5.840 5.906 ( 5.792 -3.107 -7.713) 10.134 5.906 ( 5.792 3.107 -7.713) 10.134 6.167 ( -0.192 -0.495 -5.799) 5.824 6.167 ( -0.192 0.495 -5.799) 5.824 6.255 ( -3.275 -2.563 5.942) 7.252 6.255 ( -3.275 2.563 5.942) 7.252 6.439 ( -1.584 -6.703 0.457) 6.902 6.439 ( -1.584 6.703 0.457) 6.902 6.614 ( -1.642 -4.129 2.578) 5.137 6.614 ( -1.642 4.129 2.578) 5.137 6.786 ( -0.455 -3.251 3.678) 4.930 6.786 ( -0.455 3.251 3.678) 4.930 6.880 ( -0.927 -3.488 1.339) 3.849 6.880 ( -0.927 3.488 1.339) 3.849 7.058 ( 2.210 -2.950 0.485) 3.718 7.058 ( 2.210 2.950 0.485) 3.718 7.139 ( -9.077 -3.023 -3.205) 10.090 7.139 ( -9.077 3.023 -3.205) 10.090 7.221 ( 0.873 -1.066 -0.391) 1.432 7.221 ( 0.873 1.066 -0.391) 1.432 7.416 ( 2.640 -3.115 0.241) 4.090 7.416 ( 2.640 3.115 0.241) 4.090 7.523 ( -7.477 -5.411 3.289) 9.798 7.523 ( -7.477 5.411 3.289) 9.798 7.665 ( 3.377 -3.111 -3.319) 5.666 7.665 ( 3.377 3.111 -3.319) 5.666 7.720 ( 1.900 -1.847 -2.449) 3.608 7.720 ( 1.900 1.847 -2.449) 3.608 7.844 ( -2.033 -4.097 -1.276) 4.748 7.844 ( -2.033 4.097 -1.276) 4.748 7.914 ( 5.213 -6.602 -5.907) 10.279 7.914 ( 5.213 6.602 -5.907) 10.279 7.995 ( -1.601 -1.772 -1.458) 2.798 7.995 ( -1.601 1.772 -1.458) 2.798 8.180 ( -2.701 -0.868 -0.138) 2.840 8.180 ( -2.701 0.868 -0.138) 2.840 8.461 ( -2.376 -2.393 4.243) 5.420 8.461 ( -2.376 2.393 4.243) 5.420 8.608 ( 1.647 -2.684 1.501) 3.488 8.608 ( 1.647 2.684 1.501) 3.488 8.817 ( 5.385 -3.866 0.393) 6.640 8.817 ( 5.385 3.866 0.393) 6.640 9.076 ( -0.973 -3.302 -3.080) 4.619 9.076 ( -0.973 3.302 -3.080) 4.619 9.548 ( 0.588 -1.597 -1.899) 2.549 9.548 ( 0.588 1.597 -1.899) 2.549 9.715 ( 2.756 -4.542 0.262) 5.320 9.715 ( 2.756 4.542 0.262) 5.320 10.503 ( -1.151 -1.503 2.858) 3.428 10.503 ( -1.151 1.503 2.858) 3.428 10.765 ( 0.798 -3.771 -1.647) 4.192 10.765 ( 0.798 3.771 -1.647) 4.192 11.465 ( -0.852 -9.864 3.563) 10.522 11.465 ( -0.852 9.864 3.563) 10.522 12.277 ( 5.780 -5.700 -7.328) 10.936 12.277 ( 5.780 5.700 -7.328) 10.936 12.688 ( -3.177 -3.570 9.795) 10.899 12.688 ( -3.177 3.570 9.795) 10.899 13.289 ( 1.991 -8.059 -4.181) 9.295 13.289 ( 1.991 8.059 -4.181) 9.295 15.558 ( 0.976 -1.458 -2.216) 2.826 15.558 ( 0.976 1.458 -2.216) 2.826 16.375 ( 0.289 -2.063 1.371) 2.494 16.375 ( 0.289 2.063 1.371) 2.494 16.993 ( -0.795 -0.948 4.980) 5.132 16.993 ( -0.795 0.948 4.980) 5.132 17.407 ( 1.158 -2.051 -1.667) 2.885 17.407 ( 1.158 2.051 -1.667) 2.885 17.446 ( -1.229 -2.627 -2.004) 3.526 17.446 ( -1.230 2.627 -2.004) 3.526 17.626 ( 0.504 -3.799 1.585) 4.147 17.626 ( 0.504 3.799 1.585) 4.147 17.995 ( -1.272 -1.055 0.508) 1.729 17.995 ( -1.272 1.055 0.508) 1.729 18.128 ( 1.031 -2.102 -0.045) 2.341 18.128 ( 1.031 2.102 -0.045) 2.341 18.412 ( -0.968 -3.761 0.455) 3.910 18.412 ( -0.968 3.761 0.455) 3.910 18.661 ( 0.365 -4.312 -1.634) 4.625 18.661 ( 0.365 4.312 -1.634) 4.625 20.531 ( -0.060 -0.170 0.491) 0.523 20.531 ( -0.060 0.170 0.491) 0.523 20.682 ( -0.053 -0.189 -1.157) 1.173 20.682 ( -0.053 0.189 -1.157) 1.173 21.525 ( -0.745 -0.377 0.814) 1.166 21.525 ( -0.745 0.377 0.814) 1.166 21.636 ( 0.857 -0.659 -0.823) 1.359 21.636 ( 0.857 0.659 -0.823) 1.359 27.406 ( -0.244 -1.249 0.575) 1.397 27.406 ( -0.244 1.249 0.575) 1.397 27.478 ( 0.379 -0.467 -0.418) 0.732 27.478 ( 0.379 0.467 -0.418) 0.732 27.805 ( -0.082 -0.147 0.810) 0.827 27.805 ( -0.082 0.147 0.810) 0.827 27.886 ( 0.019 -0.750 -0.401) 0.850 27.886 ( 0.019 0.750 -0.401) 0.850 35.366 ( -2.137 -2.481 1.412) 3.565 35.366 ( -2.137 2.481 1.412) 3.565 35.795 ( -0.417 -2.328 -2.471) 3.420 35.795 ( -0.417 2.328 -2.471) 3.420 35.987 ( -1.655 -3.181 2.834) 4.571 35.987 ( -1.655 3.181 2.834) 4.571 36.673 ( 2.258 -10.411 -3.726) 11.286 36.673 ( 2.258 10.411 -3.726) 11.286 39.642 ( -1.974 -1.717 4.135) 4.893 39.642 ( -1.974 1.717 4.135) 4.893 39.877 ( 2.687 -3.850 0.409) 4.712 39.877 ( 2.687 3.850 0.409) 4.712 40.922 ( -3.721 -2.071 1.509) 4.518 40.922 ( -3.721 2.071 1.509) 4.518 41.506 ( 3.512 -9.934 -3.612) 11.138 41.506 ( 3.512 9.934 -3.612) 11.138 ======================= Grid point 73 (40/80) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 0.966 -15.720 5.235) 16.597 2.102 ( 0.966 15.720 5.235) 16.597 2.226 ( -3.841 -9.367 2.751) 10.491 2.226 ( -3.841 9.367 2.751) 10.491 2.450 ( -1.299 -2.513 -1.537) 3.219 2.450 ( -1.299 2.513 -1.537) 3.219 2.766 ( 3.611 -4.155 -0.022) 5.504 2.766 ( 3.611 4.155 -0.022) 5.504 2.972 ( 1.949 -1.984 -4.293) 5.115 2.972 ( 1.949 1.984 -4.293) 5.115 3.226 ( 1.131 -5.956 -1.303) 6.201 3.226 ( 1.131 5.956 -1.303) 6.201 3.249 ( -2.150 -3.196 0.323) 3.866 3.249 ( -2.150 3.196 0.323) 3.866 3.349 ( 0.632 -5.316 -0.271) 5.360 3.349 ( 0.632 5.316 -0.271) 5.360 3.548 ( 3.197 -5.748 0.644) 6.609 3.548 ( 3.197 5.748 0.644) 6.609 3.771 ( 5.534 -2.773 -0.094) 6.190 3.771 ( 5.534 2.773 -0.094) 6.190 3.880 ( -3.854 -8.404 -5.226) 10.620 3.880 ( -3.854 8.404 -5.226) 10.620 3.986 ( -1.674 -4.071 1.210) 4.565 3.986 ( -1.674 4.071 1.210) 4.565 4.139 ( -0.089 -2.216 2.563) 3.390 4.139 ( -0.089 2.216 2.563) 3.390 4.268 ( -1.190 -5.726 0.965) 5.928 4.268 ( -1.190 5.726 0.965) 5.928 4.518 ( -5.777 -3.167 1.320) 6.719 4.518 ( -5.777 3.167 1.320) 6.719 4.705 ( -2.085 -2.838 0.664) 3.583 4.705 ( -2.085 2.838 0.664) 3.583 4.922 ( 1.328 -1.769 -2.537) 3.366 4.922 ( 1.328 1.769 -2.537) 3.366 5.013 ( -1.182 -3.106 0.385) 3.346 5.013 ( -1.182 3.106 0.385) 3.346 5.172 ( 1.911 -2.541 4.155) 5.232 5.172 ( 1.911 2.541 4.155) 5.232 5.361 ( 0.623 -5.221 -1.594) 5.494 5.361 ( 0.623 5.221 -1.594) 5.494 5.542 ( -0.660 -6.249 3.848) 7.368 5.542 ( -0.660 6.249 3.848) 7.368 5.664 ( 1.630 -1.797 3.443) 4.212 5.664 ( 1.630 1.797 3.443) 4.212 5.887 ( 0.726 -2.726 -9.154) 9.579 5.887 ( 0.726 2.726 -9.154) 9.579 6.087 ( -2.504 -3.303 -0.832) 4.228 6.087 ( -2.504 3.303 -0.832) 4.228 6.336 ( 5.241 -5.801 3.803) 8.694 6.336 ( 5.241 5.801 3.803) 8.694 6.422 ( 0.446 -5.555 0.067) 5.574 6.422 ( 0.446 5.555 0.067) 5.574 6.625 ( -0.506 -4.641 3.684) 5.947 6.625 ( -0.506 4.641 3.684) 5.947 6.752 ( -3.037 -3.107 -0.943) 4.446 6.752 ( -3.037 3.107 -0.943) 4.446 6.837 ( -4.437 -0.971 -3.323) 5.627 6.837 ( -4.437 0.971 -3.323) 5.627 6.961 ( -4.855 -3.782 3.092) 6.888 6.961 ( -4.855 3.782 3.092) 6.888 7.116 ( -0.032 -2.977 0.696) 3.057 7.116 ( -0.032 2.977 0.696) 3.057 7.263 ( 3.031 -3.571 2.247) 5.195 7.263 ( 3.031 3.571 2.247) 5.195 7.399 ( -4.450 -3.650 1.834) 6.041 7.399 ( -4.450 3.650 1.834) 6.041 7.497 ( 2.260 -3.712 0.903) 4.439 7.497 ( 2.260 3.712 0.903) 4.439 7.653 ( -1.695 -2.482 -2.443) 3.873 7.653 ( -1.695 2.482 -2.443) 3.873 7.739 ( -0.606 -4.034 -3.263) 5.224 7.739 ( -0.606 4.034 -3.263) 5.224 7.773 ( -0.377 -4.574 -0.975) 4.692 7.773 ( -0.377 4.574 -0.975) 4.692 7.910 ( 1.688 -1.232 -0.994) 2.314 7.910 ( 1.688 1.232 -0.994) 2.314 8.001 ( 2.059 -5.109 -4.258) 6.963 8.001 ( 2.059 5.109 -4.258) 6.963 8.175 ( 0.583 -3.205 2.433) 4.066 8.175 ( 0.583 3.205 2.433) 4.066 8.402 ( -6.929 -1.741 2.988) 7.744 8.402 ( -6.929 1.741 2.988) 7.744 8.658 ( 3.075 -2.764 -0.723) 4.198 8.658 ( 3.075 2.764 -0.723) 4.198 8.866 ( 0.347 -3.288 -1.382) 3.583 8.866 ( 0.347 3.288 -1.382) 3.583 9.111 ( 5.231 -3.797 -0.228) 6.468 9.111 ( 5.231 3.797 -0.228) 6.468 9.524 ( -0.897 -1.353 -1.427) 2.161 9.524 ( -0.897 1.353 -1.427) 2.161 9.770 ( 2.979 -5.578 -1.916) 6.607 9.770 ( 2.979 5.578 -1.916) 6.607 10.509 ( -1.152 -0.708 2.523) 2.862 10.509 ( -1.152 0.708 2.523) 2.862 10.769 ( 1.016 -1.971 -1.286) 2.564 10.769 ( 1.016 1.971 -1.286) 2.564 11.480 ( -1.083 -10.602 2.805) 11.020 11.480 ( -1.083 10.602 2.805) 11.020 12.326 ( 6.299 -4.766 -7.340) 10.782 12.326 ( 6.299 4.766 -7.340) 10.782 12.715 ( -3.863 -3.808 8.343) 9.951 12.715 ( -3.863 3.808 8.343) 9.951 13.288 ( 2.191 -7.839 -4.027) 9.081 13.288 ( 2.191 7.839 -4.027) 9.081 15.555 ( 1.031 -3.207 -2.108) 3.973 15.555 ( 1.031 3.207 -2.108) 3.973 16.382 ( -0.576 -1.851 0.402) 1.980 16.382 ( -0.576 1.851 0.402) 1.980 17.030 ( -0.965 -1.026 4.668) 4.876 17.030 ( -0.965 1.026 4.668) 4.876 17.389 ( 0.417 -4.380 -3.989) 5.939 17.389 ( 0.417 4.380 -3.989) 5.939 17.440 ( 0.932 -1.466 1.046) 2.028 17.440 ( 0.932 1.466 1.046) 2.028 17.648 ( 0.134 -1.891 1.017) 2.151 17.648 ( 0.134 1.891 1.017) 2.151 17.968 ( -1.740 -1.573 0.607) 2.423 17.968 ( -1.740 1.573 0.607) 2.423 18.143 ( 0.441 -3.787 -0.137) 3.815 18.143 ( 0.441 3.787 -0.137) 3.815 18.402 ( -0.492 -1.638 0.795) 1.886 18.402 ( -0.492 1.638 0.795) 1.886 18.655 ( 0.662 -4.732 -1.380) 4.973 18.655 ( 0.662 4.732 -1.380) 4.973 20.533 ( -0.246 -0.545 0.347) 0.691 20.533 ( -0.246 0.545 0.347) 0.691 20.674 ( 0.309 -0.747 -0.725) 1.086 20.674 ( 0.309 0.747 -0.725) 1.086 21.520 ( -0.610 -0.276 0.921) 1.139 21.520 ( -0.610 0.276 0.921) 1.139 21.647 ( 0.986 -1.234 -0.835) 1.787 21.647 ( 0.986 1.234 -0.835) 1.787 27.407 ( -0.221 -0.780 0.520) 0.963 27.407 ( -0.221 0.780 0.520) 0.963 27.481 ( 0.326 -0.525 -0.447) 0.763 27.481 ( 0.326 0.525 -0.447) 0.763 27.814 ( 0.099 -0.417 0.742) 0.856 27.814 ( 0.099 0.417 0.742) 0.856 27.883 ( 0.005 -1.006 -0.314) 1.054 27.883 ( 0.005 1.006 -0.314) 1.054 35.326 ( -2.760 -3.421 0.997) 4.507 35.326 ( -2.760 3.421 0.997) 4.507 35.722 ( -4.070 -4.028 -1.046) 5.821 35.722 ( -4.070 4.028 -1.046) 5.821 36.015 ( 1.431 -3.573 1.974) 4.325 36.015 ( 1.431 3.573 1.974) 4.325 36.689 ( 2.726 -9.972 -3.138) 10.803 36.689 ( 2.726 9.972 -3.138) 10.803 39.638 ( -2.236 -0.396 3.294) 4.001 39.638 ( -2.236 0.396 3.294) 4.001 39.937 ( 2.497 -6.138 -0.175) 6.629 39.937 ( 2.497 6.138 -0.175) 6.629 40.873 ( -2.885 -5.586 2.615) 6.809 40.873 ( -2.885 5.586 2.615) 6.809 41.532 ( 2.917 -9.693 -4.074) 10.911 41.532 ( 2.917 9.693 -4.074) 10.911 ======================= Grid point 90 (41/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 0.216 0.000 27.249) 27.250 1.041 ( 0.390 0.000 27.269) 27.272 1.729 ( 1.729 0.000 33.694) 33.738 1.931 ( 1.923 0.000 -17.487) 17.592 1.977 ( 2.459 0.000 -21.400) 21.541 2.275 ( 8.443 0.000 -6.307) 10.539 2.683 ( -0.932 0.000 4.194) 4.297 2.763 ( -6.712 0.000 -2.589) 7.194 2.814 ( -8.700 0.000 1.960) 8.918 2.869 ( 9.582 0.000 1.780) 9.746 2.980 ( 0.832 0.000 0.456) 0.949 3.113 ( 0.947 0.000 -5.397) 5.479 3.167 ( -2.057 0.000 -0.155) 2.063 3.173 ( 1.166 0.000 -2.015) 2.328 3.214 ( -7.146 0.000 4.670) 8.536 3.325 ( -2.100 0.000 4.041) 4.554 3.435 ( -1.660 0.000 -0.612) 1.769 3.503 ( -1.919 0.000 0.843) 2.096 3.506 ( 2.019 0.000 1.687) 2.631 3.573 ( 1.195 0.000 -0.539) 1.311 3.626 ( 2.430 0.000 3.551) 4.303 3.644 ( 2.443 0.000 4.445) 5.072 3.825 ( 0.219 0.000 -4.089) 4.095 4.057 ( -3.076 0.000 -1.156) 3.286 4.129 ( 1.018 0.000 -0.899) 1.358 4.140 ( 2.604 0.000 -1.533) 3.022 4.209 ( -1.761 0.000 -3.893) 4.273 4.260 ( -1.889 0.000 -0.378) 1.926 4.336 ( -2.253 0.000 0.148) 2.258 4.438 ( 4.663 0.000 -8.759) 9.923 4.657 ( -4.896 0.000 2.117) 5.334 4.671 ( 1.070 0.000 4.081) 4.219 4.793 ( 3.662 0.000 -3.807) 5.282 4.808 ( -1.633 0.000 -2.206) 2.745 5.077 ( -1.444 0.000 4.694) 4.911 5.244 ( -2.169 0.000 7.128) 7.451 5.373 ( -1.037 0.000 -10.496) 10.547 5.378 ( 1.449 0.000 6.179) 6.346 5.501 ( -0.924 0.000 -3.301) 3.428 5.513 ( -0.117 0.000 4.203) 4.205 5.604 ( -2.637 0.000 -5.941) 6.500 5.722 ( 3.429 0.000 2.533) 4.263 5.732 ( -1.517 0.000 -6.175) 6.358 5.822 ( 2.802 0.000 -3.701) 4.642 5.862 ( -2.067 0.000 0.399) 2.106 5.914 ( -3.174 0.000 -2.116) 3.814 6.076 ( 3.919 0.000 3.187) 5.051 6.132 ( 7.410 0.000 3.042) 8.010 6.197 ( 2.498 0.000 5.985) 6.486 6.262 ( -5.499 0.000 -0.334) 5.509 6.369 ( -5.552 0.000 0.338) 5.562 6.437 ( -0.371 0.000 -0.074) 0.379 6.553 ( 0.409 0.000 4.204) 4.224 6.649 ( -2.366 0.000 1.568) 2.838 6.682 ( 2.008 0.000 -2.289) 3.044 6.710 ( 0.330 0.000 9.644) 9.650 6.781 ( 3.527 0.000 -3.919) 5.273 6.873 ( -1.120 0.000 0.154) 1.131 6.928 ( -5.194 0.000 -0.745) 5.248 6.987 ( -3.914 0.000 -0.117) 3.916 7.034 ( 3.090 0.000 1.365) 3.378 7.122 ( 3.733 0.000 -6.704) 7.674 7.203 ( -1.368 0.000 7.345) 7.471 7.300 ( 0.393 0.000 -1.472) 1.523 7.314 ( -0.345 0.000 0.734) 0.811 7.358 ( 0.913 0.000 -2.670) 2.822 7.449 ( 1.464 0.000 1.111) 1.838 7.548 ( 1.920 0.000 -2.837) 3.426 7.643 ( -0.954 0.000 3.555) 3.680 7.705 ( 2.744 0.000 1.482) 3.118 7.727 ( 1.520 0.000 3.929) 4.213 7.848 ( 7.052 0.000 0.154) 7.053 7.865 ( -0.847 0.000 -2.385) 2.531 7.928 ( -14.878 0.000 0.651) 14.892 7.950 ( -0.959 0.000 9.022) 9.073 8.058 ( -0.323 0.000 -2.005) 2.031 8.088 ( 0.150 0.000 -7.416) 7.417 8.089 ( -8.351 0.000 4.026) 9.271 8.125 ( 2.626 0.000 -2.735) 3.792 8.341 ( -0.849 0.000 1.501) 1.724 8.445 ( 4.956 0.000 -7.129) 8.682 8.488 ( -0.363 0.000 5.952) 5.963 8.497 ( 0.597 0.000 -3.842) 3.888 8.604 ( -1.856 0.000 3.636) 4.083 9.025 ( -2.328 0.000 -0.869) 2.485 9.025 ( 1.265 0.000 0.319) 1.304 9.062 ( -5.277 0.000 7.452) 9.132 9.127 ( 0.186 0.000 0.755) 0.778 9.151 ( 11.773 0.000 -5.744) 13.100 9.492 ( 8.114 0.000 -8.778) 11.953 9.767 ( -1.998 0.000 1.492) 2.494 9.990 ( -0.719 0.000 -9.663) 9.690 10.056 ( 0.314 0.000 0.767) 0.829 10.180 ( -11.004 0.000 -4.635) 11.941 10.680 ( 6.310 0.000 2.249) 6.699 10.704 ( 0.848 0.000 1.448) 1.678 11.218 ( -2.236 0.000 6.584) 6.954 11.471 ( 3.366 0.000 -6.581) 7.392 12.121 ( -8.604 0.000 12.997) 15.587 12.476 ( 4.640 0.000 -1.064) 4.760 12.706 ( -1.757 0.000 -2.004) 2.665 12.742 ( 2.264 0.000 -6.702) 7.074 13.652 ( -0.277 0.000 2.527) 2.542 13.707 ( -10.577 0.000 -0.731) 10.603 15.273 ( -3.001 0.000 4.011) 5.009 15.562 ( 13.369 0.000 -11.614) 17.709 16.282 ( -0.437 0.000 1.002) 1.093 16.345 ( -1.818 0.000 -0.672) 1.938 17.133 ( -1.267 0.000 2.920) 3.183 17.174 ( -2.395 0.000 2.610) 3.542 17.214 ( 0.878 0.000 -1.097) 1.405 17.279 ( -0.603 0.000 -2.513) 2.584 17.444 ( -0.961 0.000 1.787) 2.029 17.465 ( 1.450 0.000 1.416) 2.027 17.752 ( -0.291 0.000 1.212) 1.246 17.813 ( -2.202 0.000 -0.897) 2.378 17.938 ( -0.647 0.000 -1.946) 2.051 17.991 ( 4.606 0.000 -4.245) 6.263 18.167 ( -0.028 0.000 2.753) 2.753 18.272 ( 0.109 0.000 -2.551) 2.553 18.556 ( -2.324 0.000 0.169) 2.330 18.620 ( 1.005 0.000 -3.413) 3.558 18.881 ( -0.914 0.000 5.278) 5.356 19.006 ( 2.433 0.000 -0.787) 2.557 20.617 ( -1.169 0.000 0.339) 1.217 20.620 ( 0.950 0.000 0.142) 0.961 20.731 ( -0.444 0.000 3.215) 3.246 20.863 ( 3.459 0.000 -3.317) 4.792 21.503 ( -0.994 0.000 0.480) 1.104 21.510 ( -0.470 0.000 1.374) 1.452 21.528 ( 0.295 0.000 -0.778) 0.833 21.550 ( 0.742 0.000 -0.589) 0.947 27.426 ( -1.494 0.000 0.993) 1.794 27.437 ( -0.699 0.000 0.597) 0.919 27.447 ( -0.557 0.000 -0.119) 0.569 27.476 ( 3.963 0.000 -1.199) 4.141 27.744 ( 0.152 0.000 -0.218) 0.266 27.750 ( -0.108 0.000 -0.572) 0.582 27.826 ( -0.542 0.000 0.549) 0.771 27.834 ( -0.122 0.000 0.286) 0.311 35.208 ( -3.825 0.000 0.465) 3.853 35.236 ( 5.827 0.000 -0.968) 5.907 35.665 ( 0.062 0.000 3.622) 3.623 35.716 ( -2.630 0.000 1.575) 3.066 36.130 ( 1.423 0.000 -1.260) 1.900 36.168 ( 2.800 0.000 -3.962) 4.852 36.642 ( 1.703 0.000 5.416) 5.678 36.768 ( -2.566 0.000 -1.353) 2.901 39.718 ( -6.438 0.000 11.454) 13.140 40.013 ( 7.242 0.000 3.302) 7.959 40.163 ( -17.085 0.000 -1.089) 17.120 40.174 ( 8.984 0.000 -8.253) 12.199 40.525 ( -7.220 0.000 -0.476) 7.235 40.617 ( 4.968 0.000 -5.522) 7.428 41.381 ( -1.099 0.000 5.466) 5.575 41.591 ( -1.491 0.000 -4.946) 5.166 ======================= Grid point 91 (42/80) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 4.785 0.000 20.731) 21.276 1.466 ( 14.511 0.000 21.587) 26.011 1.810 ( 1.162 0.000 -21.809) 21.840 1.851 ( 10.401 0.000 -19.507) 22.106 1.922 ( -3.678 0.000 4.168) 5.559 2.344 ( 3.120 0.000 -8.048) 8.631 2.537 ( -9.443 0.000 -0.524) 9.457 2.708 ( -4.499 0.000 4.767) 6.554 2.745 ( -3.159 0.000 11.439) 11.867 2.983 ( -0.577 0.000 -4.178) 4.218 3.033 ( 5.475 0.000 -0.675) 5.517 3.048 ( -0.931 0.000 -3.774) 3.887 3.134 ( -1.247 0.000 5.162) 5.311 3.160 ( -4.048 0.000 5.773) 7.050 3.199 ( 3.268 0.000 -1.654) 3.663 3.330 ( -2.416 0.000 7.340) 7.728 3.376 ( -2.833 0.000 -1.718) 3.313 3.477 ( -1.852 0.000 1.929) 2.674 3.519 ( -0.706 0.000 1.891) 2.019 3.642 ( 4.169 0.000 -2.559) 4.891 3.716 ( 5.823 0.000 -5.765) 8.194 3.739 ( 0.353 0.000 7.651) 7.659 3.847 ( 7.671 0.000 -3.405) 8.393 3.982 ( 2.394 0.000 -3.249) 4.036 4.119 ( -3.259 0.000 -5.031) 5.994 4.143 ( -1.539 0.000 -2.381) 2.835 4.220 ( -2.063 0.000 -0.395) 2.101 4.221 ( 1.536 0.000 7.367) 7.525 4.302 ( 0.829 0.000 -0.397) 0.919 4.432 ( 3.097 0.000 -6.935) 7.595 4.556 ( -8.085 0.000 4.431) 9.220 4.747 ( 2.655 0.000 2.248) 3.479 4.767 ( -0.835 0.000 -0.387) 0.920 4.818 ( 1.436 0.000 -2.561) 2.937 5.089 ( -3.229 0.000 7.507) 8.172 5.277 ( 2.139 0.000 -9.490) 9.728 5.331 ( 0.605 0.000 8.904) 8.925 5.423 ( -7.442 0.000 -2.418) 7.825 5.474 ( -0.223 0.000 -5.566) 5.570 5.507 ( 6.034 0.000 5.442) 8.125 5.518 ( -2.624 0.000 3.202) 4.140 5.609 ( -5.479 0.000 -3.322) 6.407 5.758 ( -5.346 0.000 2.685) 5.982 5.776 ( 1.248 0.000 -6.977) 7.087 5.808 ( -3.556 0.000 -0.211) 3.562 5.909 ( 4.245 0.000 -2.208) 4.785 6.117 ( 1.161 0.000 -0.485) 1.258 6.177 ( 0.136 0.000 -0.502) 0.520 6.235 ( 1.456 0.000 3.355) 3.658 6.277 ( -0.952 0.000 0.607) 1.129 6.429 ( 5.339 0.000 5.370) 7.572 6.454 ( 0.193 0.000 0.158) 0.250 6.530 ( -7.613 0.000 1.891) 7.845 6.665 ( 2.837 0.000 2.687) 3.907 6.666 ( 0.383 0.000 -3.812) 3.832 6.833 ( 1.984 0.000 -1.539) 2.511 6.842 ( -2.986 0.000 4.321) 5.252 6.873 ( 5.334 0.000 5.563) 7.707 6.907 ( 0.038 0.000 -2.559) 2.559 6.923 ( 5.950 0.000 0.198) 5.953 7.086 ( 1.689 0.000 0.426) 1.742 7.115 ( 2.165 0.000 -6.004) 6.382 7.231 ( -2.388 0.000 4.609) 5.191 7.285 ( -1.039 0.000 -3.588) 3.735 7.320 ( 1.066 0.000 1.507) 1.846 7.341 ( -2.082 0.000 0.683) 2.191 7.467 ( -3.633 0.000 -1.884) 4.092 7.499 ( -9.396 0.000 6.491) 11.420 7.534 ( -0.333 0.000 0.307) 0.453 7.651 ( -3.933 0.000 -6.224) 7.363 7.807 ( -2.262 0.000 4.109) 4.690 7.856 ( 6.246 0.000 1.526) 6.430 7.862 ( 3.614 0.000 -2.652) 4.483 7.933 ( -5.946 0.000 -0.221) 5.950 7.944 ( -3.864 0.000 0.093) 3.865 7.954 ( -6.765 0.000 4.384) 8.061 8.066 ( 0.895 0.000 6.368) 6.431 8.084 ( 3.941 0.000 -2.724) 4.791 8.166 ( 4.189 0.000 -1.282) 4.381 8.354 ( -0.837 0.000 3.206) 3.314 8.398 ( 0.832 0.000 -5.088) 5.155 8.522 ( 2.046 0.000 -2.232) 3.028 8.615 ( 6.424 0.000 -1.060) 6.511 8.626 ( 0.794 0.000 2.683) 2.797 8.837 ( -6.227 0.000 1.575) 6.423 8.945 ( -7.802 0.000 -1.240) 7.900 9.072 ( -5.478 0.000 -1.700) 5.736 9.165 ( 2.633 0.000 5.257) 5.880 9.258 ( 3.185 0.000 -5.993) 6.786 9.566 ( 7.361 0.000 -8.907) 11.555 9.753 ( -3.247 0.000 4.872) 5.855 9.815 ( -0.383 0.000 -4.620) 4.636 10.137 ( 3.923 0.000 7.137) 8.144 10.167 ( 6.521 0.000 -7.600) 10.014 10.702 ( -1.300 0.000 -2.068) 2.443 10.766 ( 3.768 0.000 -1.128) 3.933 11.242 ( -1.434 0.000 4.647) 4.863 11.462 ( 2.697 0.000 -6.583) 7.114 12.083 ( -8.118 0.000 12.607) 14.994 12.584 ( 6.831 0.000 -1.472) 6.988 12.673 ( 0.321 0.000 -1.085) 1.132 12.724 ( 1.919 0.000 -4.090) 4.518 13.499 ( -13.481 0.000 7.336) 15.348 13.671 ( -1.764 0.000 4.837) 5.148 15.213 ( -5.421 0.000 1.593) 5.651 15.596 ( 4.373 0.000 -13.281) 13.983 16.301 ( 0.248 0.000 2.740) 2.751 16.314 ( -0.402 0.000 -0.294) 0.498 17.086 ( -4.237 0.000 1.971) 4.673 17.136 ( -4.271 0.000 -1.307) 4.467 17.195 ( -1.022 0.000 5.445) 5.540 17.323 ( 4.569 0.000 -1.020) 4.681 17.448 ( -0.100 0.000 1.216) 1.221 17.533 ( 4.021 0.000 -0.950) 4.132 17.734 ( -3.020 0.000 1.311) 3.292 17.757 ( -2.668 0.000 -0.469) 2.708 17.951 ( 3.455 0.000 -2.463) 4.243 18.062 ( 6.378 0.000 -3.059) 7.074 18.167 ( -2.209 0.000 2.390) 3.254 18.227 ( -2.166 0.000 -2.597) 3.382 18.526 ( -2.003 0.000 2.302) 3.051 18.615 ( 1.861 0.000 -2.872) 3.423 18.910 ( -0.544 0.000 2.918) 2.968 19.051 ( 3.142 0.000 -2.474) 3.999 20.595 ( -1.409 0.000 0.065) 1.411 20.638 ( 0.718 0.000 0.268) 0.766 20.729 ( -2.646 0.000 1.697) 3.144 20.811 ( -3.430 0.000 -2.849) 4.458 21.485 ( -1.318 0.000 1.285) 1.841 21.516 ( -0.226 0.000 0.802) 0.833 21.525 ( 0.167 0.000 -0.572) 0.596 21.554 ( 0.440 0.000 -0.966) 1.061 27.380 ( -2.642 0.000 0.976) 2.816 27.440 ( 0.163 0.000 -0.474) 0.501 27.460 ( 1.199 0.000 0.424) 1.272 27.520 ( 1.797 0.000 -1.412) 2.286 27.747 ( 0.373 0.000 -0.351) 0.513 27.748 ( 0.354 0.000 -0.091) 0.365 27.821 ( -0.720 0.000 0.774) 1.057 27.826 ( -0.841 0.000 0.186) 0.861 35.194 ( 1.889 0.000 1.158) 2.216 35.421 ( 12.731 0.000 -4.825) 13.614 35.696 ( -0.299 0.000 2.020) 2.042 35.699 ( -0.882 0.000 3.470) 3.580 36.123 ( -0.188 0.000 -2.067) 2.076 36.141 ( -0.882 0.000 -4.978) 5.055 36.705 ( -1.601 0.000 -1.788) 2.400 36.739 ( 1.998 0.000 4.549) 4.968 39.684 ( -9.099 0.000 11.980) 15.044 39.866 ( -9.787 0.000 2.670) 10.145 40.118 ( 4.478 0.000 -6.345) 7.766 40.345 ( 2.460 0.000 -3.985) 4.683 40.395 ( 1.961 0.000 6.878) 7.152 40.772 ( 11.641 0.000 -5.302) 12.792 41.437 ( -0.118 0.000 6.861) 6.862 41.516 ( -0.779 0.000 -3.750) 3.830 ======================= Grid point 92 (43/80) ======================= q-point: (-0.60 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -20.253 0.000 -9.356) 22.310 1.479 ( -12.132 0.000 9.957) 15.694 1.827 ( 7.991 0.000 -22.411) 23.793 1.876 ( 5.396 0.000 9.732) 11.128 1.908 ( 10.662 0.000 -8.283) 13.501 2.383 ( 11.035 0.000 1.594) 11.149 2.509 ( 2.145 0.000 1.715) 2.746 2.683 ( -4.513 0.000 5.492) 7.108 2.725 ( -5.752 0.000 4.340) 7.206 2.866 ( -1.829 0.000 -7.367) 7.591 3.034 ( -0.632 0.000 -2.084) 2.178 3.074 ( 1.835 0.000 -1.459) 2.344 3.125 ( -5.563 0.000 4.199) 6.970 3.228 ( 2.119 0.000 4.779) 5.228 3.235 ( 1.746 0.000 -2.359) 2.935 3.297 ( -3.924 0.000 0.752) 3.995 3.380 ( 0.074 0.000 6.049) 6.049 3.488 ( -0.458 0.000 4.311) 4.335 3.540 ( 0.039 0.000 2.763) 2.763 3.644 ( -0.166 0.000 -3.187) 3.191 3.777 ( 9.185 0.000 -6.364) 11.174 3.814 ( -5.126 0.000 9.113) 10.456 3.940 ( 5.259 0.000 -6.596) 8.436 3.972 ( -4.961 0.000 -6.448) 8.135 4.075 ( 3.764 0.000 3.852) 5.385 4.082 ( -1.792 0.000 -1.030) 2.067 4.191 ( 1.854 0.000 0.632) 1.959 4.279 ( -0.617 0.000 2.191) 2.276 4.337 ( -0.269 0.000 1.343) 1.370 4.430 ( 2.558 0.000 -4.385) 5.077 4.488 ( -3.124 0.000 7.550) 8.171 4.782 ( 2.365 0.000 0.460) 2.410 4.791 ( -1.075 0.000 0.335) 1.126 4.805 ( 3.048 0.000 -4.862) 5.738 5.093 ( -4.256 0.000 7.251) 8.408 5.281 ( 2.910 0.000 1.994) 3.528 5.321 ( 3.340 0.000 -7.211) 7.947 5.383 ( -3.112 0.000 5.352) 6.191 5.431 ( 0.785 0.000 -4.098) 4.173 5.465 ( -6.828 0.000 0.937) 6.892 5.511 ( 0.057 0.000 -2.769) 2.769 5.580 ( -4.628 0.000 1.042) 4.744 5.694 ( -2.194 0.000 2.318) 3.191 5.763 ( 2.161 0.000 2.306) 3.160 5.779 ( 4.513 0.000 -5.871) 7.405 5.970 ( 3.484 0.000 -1.436) 3.768 6.147 ( 0.269 0.000 -5.101) 5.108 6.180 ( 4.122 0.000 0.414) 4.142 6.319 ( -3.260 0.000 0.886) 3.378 6.321 ( -0.415 0.000 7.265) 7.277 6.362 ( -1.500 0.000 3.205) 3.539 6.402 ( -6.204 0.000 4.245) 7.517 6.511 ( 1.618 0.000 -1.409) 2.145 6.701 ( -2.955 0.000 2.594) 3.932 6.719 ( 6.569 0.000 -0.918) 6.633 6.780 ( -2.669 0.000 -3.687) 4.552 6.786 ( -6.169 0.000 4.511) 7.642 6.917 ( 1.042 0.000 -6.905) 6.983 7.047 ( 4.201 0.000 2.794) 5.045 7.052 ( 4.660 0.000 -0.813) 4.730 7.095 ( -2.106 0.000 1.512) 2.592 7.099 ( 2.795 0.000 -0.332) 2.815 7.208 ( -1.699 0.000 2.544) 3.059 7.238 ( 0.843 0.000 -2.987) 3.104 7.287 ( -4.107 0.000 1.594) 4.406 7.306 ( -0.730 0.000 -2.973) 3.061 7.439 ( 1.963 0.000 8.684) 8.904 7.493 ( -5.770 0.000 -2.163) 6.162 7.502 ( 0.696 0.000 0.456) 0.832 7.614 ( 4.771 0.000 -0.851) 4.846 7.715 ( -6.796 0.000 -1.664) 6.997 7.810 ( -5.691 0.000 1.726) 5.947 7.835 ( -3.247 0.000 -3.883) 5.061 7.892 ( 4.195 0.000 -5.282) 6.745 7.895 ( -1.672 0.000 -0.940) 1.918 7.984 ( -0.820 0.000 9.466) 9.501 8.059 ( 0.319 0.000 -5.061) 5.071 8.213 ( 3.442 0.000 9.566) 10.167 8.268 ( 1.516 0.000 3.586) 3.893 8.369 ( -0.043 0.000 3.038) 3.038 8.398 ( 3.825 0.000 -7.805) 8.692 8.435 ( -1.998 0.000 -3.806) 4.298 8.654 ( -2.385 0.000 1.493) 2.814 8.684 ( 2.664 0.000 0.509) 2.712 8.796 ( -2.648 0.000 -1.840) 3.224 8.876 ( 1.998 0.000 3.602) 4.118 8.919 ( -5.833 0.000 -5.063) 7.724 9.194 ( -0.088 0.000 -8.705) 8.706 9.251 ( 1.340 0.000 3.809) 4.037 9.572 ( 2.595 0.000 -7.908) 8.323 9.756 ( -2.081 0.000 6.932) 7.238 9.892 ( 6.811 0.000 2.650) 7.309 10.171 ( 3.461 0.000 -11.309) 11.827 10.306 ( 1.524 0.000 12.411) 12.505 10.600 ( -3.629 0.000 -7.423) 8.262 10.835 ( 5.487 0.000 -3.220) 6.362 11.248 ( -1.762 0.000 2.431) 3.003 11.449 ( 2.834 0.000 -6.102) 6.728 12.080 ( -5.761 0.000 13.172) 14.377 12.619 ( 4.248 0.000 -12.629) 13.324 12.701 ( 2.304 0.000 1.018) 2.518 12.793 ( 4.187 0.000 3.667) 5.566 13.379 ( -9.992 0.000 16.708) 19.467 13.676 ( -3.052 0.000 5.092) 5.937 15.140 ( -2.366 0.000 0.837) 2.510 15.503 ( 0.715 0.000 -13.891) 13.909 16.322 ( 0.771 0.000 0.661) 1.016 16.331 ( -0.543 0.000 2.829) 2.881 17.037 ( -2.224 0.000 1.285) 2.569 17.070 ( -1.127 0.000 -0.871) 1.424 17.227 ( -2.469 0.000 7.114) 7.530 17.401 ( 3.569 0.000 -0.291) 3.581 17.458 ( -0.507 0.000 1.172) 1.277 17.564 ( 1.680 0.000 -4.506) 4.809 17.677 ( -3.484 0.000 1.693) 3.873 17.720 ( 0.313 0.000 -1.219) 1.258 17.999 ( 3.163 0.000 -1.260) 3.405 18.140 ( -1.666 0.000 -3.442) 3.824 18.147 ( -2.111 0.000 2.320) 3.137 18.165 ( 4.639 0.000 -2.028) 5.063 18.537 ( -0.417 0.000 5.151) 5.168 18.635 ( 2.452 0.000 -1.282) 2.767 18.906 ( -2.140 0.000 0.812) 2.289 19.049 ( 0.585 0.000 -5.542) 5.573 20.566 ( -1.583 0.000 0.223) 1.599 20.653 ( 0.526 0.000 0.496) 0.723 20.669 ( -3.119 0.000 -1.296) 3.378 20.722 ( -3.350 0.000 -1.211) 3.562 21.480 ( -0.623 0.000 1.382) 1.516 21.517 ( -0.419 0.000 0.507) 0.658 21.524 ( 0.323 0.000 -0.520) 0.612 21.548 ( 0.214 0.000 -1.292) 1.310 27.360 ( -0.698 0.000 1.600) 1.746 27.441 ( 0.628 0.000 -1.133) 1.296 27.484 ( 0.686 0.000 0.554) 0.882 27.521 ( -0.374 0.000 -0.816) 0.898 27.754 ( 0.210 0.000 -0.000) 0.210 27.757 ( 0.915 0.000 -0.263) 0.952 27.810 ( -0.946 0.000 0.361) 1.013 27.816 ( -0.296 0.000 0.479) 0.563 35.280 ( 2.842 0.000 4.284) 5.141 35.543 ( 5.621 0.000 -5.540) 7.893 35.700 ( -2.321 0.000 3.855) 4.500 35.782 ( 5.798 0.000 3.373) 6.707 36.043 ( -2.213 0.000 -7.917) 8.221 36.083 ( -0.628 0.000 -4.224) 4.271 36.699 ( 1.965 0.000 0.210) 1.976 36.778 ( -1.657 0.000 1.882) 2.508 39.646 ( -5.770 0.000 10.106) 11.637 39.814 ( -2.281 0.000 7.339) 7.686 40.042 ( -3.117 0.000 -9.064) 9.585 40.270 ( 1.316 0.000 -7.170) 7.290 40.591 ( 1.949 0.000 9.730) 9.923 40.912 ( 9.398 0.000 -6.822) 11.613 41.504 ( -0.099 0.000 6.583) 6.584 41.524 ( 3.600 0.000 0.095) 3.601 ======================= Grid point 93 (44/80) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -21.296 0.000 10.128) 23.582 1.181 ( -22.933 0.000 8.452) 24.440 1.804 ( -15.581 0.000 3.625) 15.997 1.832 ( 11.212 0.000 -14.046) 17.972 2.098 ( 8.644 0.000 -2.975) 9.142 2.508 ( 2.102 0.000 -12.647) 12.820 2.632 ( -6.335 0.000 6.180) 8.850 2.648 ( 6.199 0.000 7.695) 9.882 2.693 ( 0.659 0.000 0.287) 0.719 2.872 ( 6.361 0.000 -0.750) 6.405 2.988 ( 0.742 0.000 -0.514) 0.903 2.995 ( -4.702 0.000 -1.998) 5.109 3.144 ( 2.918 0.000 1.004) 3.086 3.186 ( -2.275 0.000 -1.784) 2.891 3.284 ( -0.765 0.000 4.615) 4.677 3.287 ( -0.726 0.000 2.000) 2.128 3.436 ( 0.046 0.000 4.354) 4.355 3.523 ( -0.134 0.000 2.926) 2.929 3.545 ( -1.015 0.000 -1.391) 1.722 3.607 ( -1.664 0.000 0.915) 1.899 3.701 ( -9.136 0.000 2.171) 9.390 3.796 ( -7.996 0.000 -2.412) 8.352 3.920 ( 0.133 0.000 -5.575) 5.577 3.948 ( 10.100 0.000 -0.259) 10.103 4.087 ( 2.706 0.000 -1.544) 3.116 4.158 ( -1.115 0.000 4.983) 5.107 4.256 ( -0.712 0.000 4.043) 4.105 4.271 ( 1.643 0.000 -3.310) 3.696 4.346 ( 2.238 0.000 -0.179) 2.245 4.431 ( 3.063 0.000 -6.174) 6.892 4.562 ( 1.775 0.000 6.584) 6.819 4.748 ( -1.895 0.000 -2.140) 2.858 4.807 ( 0.792 0.000 -3.766) 3.849 4.842 ( 3.071 0.000 -0.737) 3.158 5.073 ( -3.607 0.000 4.113) 5.471 5.305 ( -6.245 0.000 1.543) 6.433 5.357 ( 5.212 0.000 -0.757) 5.267 5.384 ( -1.812 0.000 3.495) 3.937 5.433 ( 8.299 0.000 -3.044) 8.839 5.480 ( 7.776 0.000 1.875) 7.999 5.492 ( -4.796 0.000 -3.456) 5.911 5.555 ( 5.667 0.000 -0.417) 5.682 5.639 ( -2.754 0.000 1.987) 3.396 5.811 ( 4.306 0.000 -4.375) 6.139 5.853 ( 0.929 0.000 4.123) 4.226 5.962 ( -2.511 0.000 -4.437) 5.098 6.094 ( -2.645 0.000 -1.038) 2.842 6.096 ( -7.464 0.000 -2.750) 7.954 6.330 ( 2.339 0.000 5.583) 6.054 6.337 ( -1.821 0.000 5.909) 6.184 6.434 ( -0.438 0.000 2.697) 2.732 6.477 ( 4.580 0.000 0.993) 4.687 6.519 ( 2.006 0.000 1.898) 2.762 6.634 ( -6.783 0.000 5.927) 9.007 6.655 ( -3.565 0.000 -5.699) 6.722 6.684 ( -5.487 0.000 -0.125) 5.489 6.838 ( -0.124 0.000 -3.727) 3.729 6.870 ( 7.286 0.000 -0.830) 7.334 7.029 ( -6.808 0.000 0.518) 6.827 7.037 ( -0.846 0.000 -1.731) 1.927 7.056 ( -1.571 0.000 -0.032) 1.571 7.174 ( -4.138 0.000 0.804) 4.216 7.234 ( 1.052 0.000 -2.333) 2.559 7.256 ( 0.488 0.000 7.285) 7.301 7.277 ( 2.062 0.000 5.048) 5.452 7.332 ( 1.927 0.000 -0.122) 1.931 7.410 ( 1.964 0.000 -1.936) 2.758 7.457 ( -5.485 0.000 0.513) 5.509 7.530 ( 2.528 0.000 -4.029) 4.756 7.638 ( -0.326 0.000 -1.137) 1.183 7.685 ( 0.414 0.000 10.608) 10.616 7.757 ( 0.583 0.000 -8.360) 8.380 7.775 ( 0.546 0.000 3.704) 3.744 7.832 ( -1.807 0.000 -2.207) 2.853 7.927 ( 2.977 0.000 -3.927) 4.928 8.041 ( 3.186 0.000 -5.731) 6.558 8.057 ( 1.835 0.000 3.993) 4.395 8.284 ( -3.562 0.000 5.833) 6.835 8.303 ( 3.211 0.000 4.009) 5.136 8.407 ( 3.198 0.000 -5.139) 6.053 8.433 ( 0.641 0.000 2.818) 2.889 8.438 ( -1.659 0.000 1.242) 2.072 8.598 ( -3.309 0.000 4.844) 5.867 8.689 ( -2.537 0.000 -2.942) 3.884 8.773 ( 0.097 0.000 -4.746) 4.747 8.805 ( 3.952 0.000 -3.346) 5.178 8.956 ( 2.794 0.000 3.150) 4.210 9.121 ( 1.581 0.000 -8.894) 9.033 9.286 ( -1.690 0.000 3.485) 3.873 9.521 ( 1.594 0.000 -9.584) 9.715 9.799 ( -1.406 0.000 6.615) 6.763 10.048 ( 3.443 0.000 -5.227) 6.260 10.145 ( 4.338 0.000 7.828) 8.950 10.291 ( -8.461 0.000 -2.888) 8.941 10.562 ( 2.925 0.000 3.348) 4.446 10.862 ( 3.260 0.000 -12.121) 12.551 11.223 ( -3.536 0.000 3.336) 4.862 11.453 ( 3.679 0.000 -5.880) 6.936 12.112 ( -5.291 0.000 13.538) 14.535 12.548 ( 1.638 0.000 -12.055) 12.166 12.755 ( 1.196 0.000 1.598) 1.996 12.836 ( 0.427 0.000 -4.591) 4.611 13.524 ( 3.923 0.000 22.845) 23.180 13.655 ( -2.609 0.000 2.234) 3.435 15.159 ( 1.865 0.000 3.294) 3.785 15.369 ( 0.322 0.000 -12.867) 12.871 16.328 ( -1.713 0.000 0.998) 1.982 16.347 ( 0.362 0.000 1.929) 1.963 17.033 ( 0.668 0.000 0.949) 1.160 17.078 ( 2.699 0.000 -0.813) 2.819 17.235 ( -4.306 0.000 7.317) 8.490 17.419 ( -1.835 0.000 -0.432) 1.885 17.448 ( -1.382 0.000 1.286) 1.887 17.520 ( -0.983 0.000 -3.228) 3.374 17.674 ( 1.717 0.000 0.671) 1.844 17.756 ( 4.470 0.000 -1.592) 4.745 18.041 ( 1.467 0.000 1.058) 1.808 18.048 ( -2.442 0.000 -4.247) 4.899 18.127 ( -1.968 0.000 0.443) 2.017 18.239 ( 4.055 0.000 -2.173) 4.601 18.598 ( 0.135 0.000 5.216) 5.217 18.675 ( 1.702 0.000 -0.404) 1.749 18.854 ( -3.276 0.000 1.055) 3.442 18.980 ( -0.777 0.000 -5.219) 5.277 20.560 ( 0.351 0.000 3.189) 3.208 20.612 ( -0.888 0.000 -1.646) 1.870 20.664 ( -2.097 0.000 0.044) 2.097 20.671 ( 0.560 0.000 1.114) 1.247 21.486 ( -0.183 0.000 1.268) 1.281 21.513 ( -0.461 0.000 0.525) 0.699 21.527 ( 0.607 0.000 -0.703) 0.928 21.541 ( 0.264 0.000 -1.036) 1.070 27.377 ( 0.422 0.000 1.832) 1.880 27.436 ( 0.440 0.000 -2.082) 2.128 27.492 ( -0.620 0.000 0.775) 0.993 27.497 ( -1.384 0.000 -0.208) 1.399 27.754 ( -0.136 0.000 -0.071) 0.153 27.766 ( 0.293 0.000 -0.668) 0.729 27.808 ( 0.218 0.000 0.807) 0.836 27.820 ( 0.409 0.000 0.022) 0.409 35.335 ( -2.409 0.000 4.934) 5.491 35.551 ( 1.188 0.000 -7.930) 8.018 35.690 ( -3.765 0.000 4.529) 5.890 35.830 ( -6.917 0.000 0.813) 6.965 36.003 ( 9.328 0.000 -6.617) 11.437 36.047 ( 2.712 0.000 -4.601) 5.341 36.713 ( -5.428 0.000 -0.385) 5.441 36.762 ( 2.698 0.000 1.641) 3.158 39.662 ( -3.405 0.000 10.089) 10.649 39.906 ( -1.923 0.000 -5.841) 6.149 39.912 ( 2.843 0.000 11.277) 11.630 40.213 ( 1.915 0.000 -10.685) 10.855 40.658 ( -2.901 0.000 6.951) 7.532 40.990 ( 6.806 0.000 -9.324) 11.543 41.541 ( -1.542 0.000 1.401) 2.083 41.610 ( 3.731 0.000 0.264) 3.741 ======================= Grid point 94 (45/80) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -15.937 0.000 21.423) 26.700 0.932 ( -11.439 0.000 26.965) 29.291 1.515 ( -21.468 0.000 29.303) 36.326 1.946 ( 9.654 0.000 -6.268) 11.511 2.127 ( 3.714 0.000 -16.538) 16.950 2.328 ( -1.350 0.000 -18.155) 18.205 2.650 ( 0.108 0.000 9.105) 9.106 2.713 ( 4.642 0.000 -4.824) 6.695 2.800 ( 1.553 0.000 4.059) 4.346 2.917 ( 4.842 0.000 -2.301) 5.361 2.926 ( -3.555 0.000 0.667) 3.617 3.098 ( 3.826 0.000 -2.656) 4.658 3.187 ( 0.325 0.000 0.149) 0.357 3.210 ( 3.097 0.000 4.971) 5.857 3.261 ( -0.359 0.000 -1.968) 2.000 3.293 ( -3.199 0.000 2.890) 4.311 3.456 ( -1.527 0.000 2.191) 2.671 3.486 ( -2.801 0.000 0.204) 2.808 3.527 ( -1.646 0.000 1.187) 2.029 3.578 ( -1.047 0.000 -0.169) 1.060 3.611 ( -1.821 0.000 1.291) 2.232 3.647 ( -7.414 0.000 3.736) 8.302 3.867 ( -0.866 0.000 -3.205) 3.320 4.052 ( -1.243 0.000 3.610) 3.818 4.115 ( 2.144 0.000 -2.173) 3.053 4.171 ( 0.098 0.000 1.016) 1.021 4.268 ( 0.524 0.000 -4.307) 4.338 4.274 ( 0.024 0.000 1.266) 1.266 4.363 ( -1.129 0.000 0.820) 1.395 4.433 ( 5.369 0.000 -9.528) 10.936 4.658 ( 1.728 0.000 3.670) 4.057 4.672 ( -3.021 0.000 -1.320) 3.297 4.783 ( 1.480 0.000 -3.902) 4.174 4.854 ( 0.044 0.000 -2.872) 2.872 5.057 ( -1.192 0.000 2.649) 2.905 5.260 ( -3.318 0.000 5.349) 6.294 5.350 ( -4.186 0.000 0.908) 4.284 5.446 ( 1.371 0.000 4.353) 4.564 5.452 ( 5.616 0.000 -9.469) 11.009 5.504 ( 2.248 0.000 2.914) 3.681 5.647 ( 3.258 0.000 -2.050) 3.849 5.650 ( 2.183 0.000 0.783) 2.319 5.715 ( 10.385 0.000 -1.554) 10.501 5.833 ( -2.332 0.000 -5.294) 5.785 5.871 ( 6.701 0.000 -2.320) 7.091 5.888 ( 0.795 0.000 -0.854) 1.167 5.987 ( -2.276 0.000 3.518) 4.190 6.015 ( -5.155 0.000 3.133) 6.033 6.282 ( -7.636 0.000 0.403) 7.647 6.381 ( -3.435 0.000 0.910) 3.554 6.446 ( 0.418 0.000 -0.345) 0.542 6.452 ( -2.801 0.000 -0.039) 2.802 6.539 ( -4.694 0.000 2.360) 5.254 6.612 ( 0.481 0.000 6.941) 6.957 6.637 ( 5.041 0.000 -4.031) 6.454 6.677 ( -2.278 0.000 6.788) 7.161 6.800 ( -0.269 0.000 -2.701) 2.715 6.920 ( -3.670 0.000 1.699) 4.044 6.948 ( -0.006 0.000 2.932) 2.932 7.019 ( -3.238 0.000 0.944) 3.373 7.053 ( -1.935 0.000 -1.177) 2.265 7.092 ( 4.721 0.000 -5.279) 7.082 7.245 ( -6.716 0.000 -0.854) 6.771 7.266 ( 2.279 0.000 4.728) 5.249 7.304 ( -1.895 0.000 4.246) 4.650 7.341 ( 1.849 0.000 -0.983) 2.094 7.416 ( 0.340 0.000 0.982) 1.039 7.497 ( 6.605 0.000 -2.231) 6.972 7.575 ( 4.436 0.000 -1.399) 4.651 7.656 ( 1.065 0.000 -0.130) 1.073 7.712 ( 3.506 0.000 -0.819) 3.600 7.721 ( -3.606 0.000 1.292) 3.830 7.837 ( 2.123 0.000 8.579) 8.838 7.925 ( 0.252 0.000 -2.872) 2.883 7.956 ( 8.908 0.000 3.758) 9.669 8.063 ( 4.701 0.000 -4.660) 6.619 8.112 ( -2.019 0.000 2.872) 3.510 8.225 ( -7.175 0.000 1.735) 7.382 8.276 ( -7.594 0.000 -6.281) 9.855 8.388 ( -2.584 0.000 -4.554) 5.236 8.414 ( 4.052 0.000 -6.816) 7.929 8.438 ( -0.100 0.000 6.910) 6.911 8.579 ( -1.643 0.000 -7.056) 7.245 8.609 ( -2.800 0.000 5.766) 6.410 8.871 ( 7.037 0.000 4.791) 8.513 8.906 ( 6.680 0.000 3.285) 7.444 9.050 ( 3.158 0.000 3.424) 4.658 9.067 ( 3.393 0.000 -8.866) 9.493 9.235 ( -7.342 0.000 2.438) 7.736 9.468 ( 3.260 0.000 -8.571) 9.170 9.805 ( -3.048 0.000 2.601) 4.007 10.003 ( 2.315 0.000 -6.535) 6.933 10.109 ( -4.152 0.000 -4.751) 6.310 10.426 ( 7.937 0.000 12.902) 15.148 10.633 ( -10.752 0.000 -18.330) 21.251 10.652 ( 1.641 0.000 4.206) 4.515 11.204 ( -3.380 0.000 6.592) 7.408 11.466 ( 3.838 0.000 -6.238) 7.325 12.135 ( -6.638 0.000 13.484) 15.029 12.463 ( 0.812 0.000 -7.240) 7.285 12.757 ( -1.611 0.000 -0.392) 1.658 12.778 ( 0.500 0.000 -6.319) 6.339 13.639 ( -0.440 0.000 0.882) 0.986 13.798 ( 4.613 0.000 2.523) 5.258 15.241 ( 1.233 0.000 4.972) 5.123 15.362 ( 11.083 0.000 -5.282) 12.277 16.298 ( -1.532 0.000 0.033) 1.532 16.367 ( -0.565 0.000 1.535) 1.635 17.081 ( 2.822 0.000 1.412) 3.155 17.147 ( 5.011 0.000 -1.091) 5.128 17.212 ( -4.531 0.000 5.233) 6.922 17.352 ( -3.256 0.000 -1.472) 3.573 17.443 ( -0.965 0.000 2.025) 2.243 17.474 ( -2.095 0.000 -0.280) 2.113 17.724 ( 2.043 0.000 0.810) 2.198 17.822 ( 3.624 0.000 -2.717) 4.529 17.983 ( 0.663 0.000 -4.522) 4.571 18.031 ( -5.220 0.000 -1.224) 5.362 18.113 ( 1.613 0.000 2.839) 3.265 18.275 ( 2.279 0.000 -2.600) 3.457 18.603 ( -2.077 0.000 -0.030) 2.077 18.653 ( -0.649 0.000 -4.130) 4.181 18.844 ( -1.535 0.000 5.991) 6.184 18.973 ( 2.104 0.000 -0.357) 2.134 20.603 ( 0.739 0.000 -0.436) 0.857 20.635 ( -1.237 0.000 0.522) 1.343 20.699 ( 0.522 0.000 2.342) 2.399 20.700 ( 9.238 0.000 5.421) 10.711 21.497 ( -0.052 0.000 1.196) 1.197 21.513 ( -0.210 0.000 0.632) 0.666 21.529 ( 0.518 0.000 -1.083) 1.201 21.541 ( 0.599 0.000 -0.434) 0.740 27.405 ( 0.752 0.000 1.291) 1.494 27.427 ( 1.244 0.000 -1.395) 1.869 27.469 ( -1.325 0.000 0.002) 1.325 27.475 ( -2.134 0.000 0.950) 2.336 27.748 ( -0.237 0.000 -0.273) 0.362 27.759 ( -0.175 0.000 -0.665) 0.687 27.825 ( 0.560 0.000 0.560) 0.792 27.828 ( 0.254 0.000 -0.111) 0.277 35.293 ( -5.650 0.000 2.838) 6.322 35.349 ( -10.130 0.000 -9.663) 14.000 35.654 ( -2.954 0.000 3.362) 4.476 35.744 ( -2.591 0.000 2.137) 3.359 36.091 ( 4.070 0.000 -1.966) 4.520 36.117 ( 6.442 0.000 -3.639) 7.399 36.616 ( -3.903 0.000 2.480) 4.624 36.802 ( -0.148 0.000 0.628) 0.645 39.702 ( -4.147 0.000 11.491) 12.216 39.884 ( 3.554 0.000 -0.977) 3.686 40.133 ( 8.581 0.000 8.293) 11.933 40.155 ( 3.819 0.000 -10.431) 11.109 40.632 ( -5.009 0.000 2.877) 5.776 40.906 ( -6.210 0.000 -17.703) 18.761 41.429 ( -7.752 0.000 -0.697) 7.783 41.641 ( 0.859 0.000 -2.972) 3.094 ======================= Grid point 95 (46/80) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.245 14.065 23.028) 26.985 1.324 ( -0.133 20.179 21.026) 29.143 1.914 ( -1.354 19.181 26.340) 32.612 1.971 ( 0.954 4.953 -15.945) 16.724 2.064 ( 3.410 6.599 -15.105) 16.832 2.389 ( 6.716 10.416 -8.510) 15.034 2.648 ( -1.803 -2.041 2.238) 3.525 2.735 ( 4.548 -1.270 -3.779) 6.048 2.803 ( -4.939 -1.282 1.286) 5.262 2.918 ( -0.622 3.836 6.129) 7.257 3.016 ( 0.020 0.034 -2.866) 2.866 3.142 ( -0.683 0.540 1.466) 1.705 3.186 ( 2.941 4.358 -2.795) 5.955 3.233 ( -6.286 4.064 -2.012) 7.751 3.263 ( -1.403 1.812 4.502) 5.051 3.290 ( -2.773 1.251 2.429) 3.893 3.398 ( 0.194 -3.214 1.663) 3.624 3.439 ( 1.779 -1.285 0.067) 2.195 3.553 ( 0.333 -0.350 1.480) 1.557 3.600 ( 2.280 1.783 0.106) 2.896 3.637 ( -1.631 3.770 1.377) 4.332 3.689 ( 3.472 2.216 4.142) 5.842 3.790 ( 0.136 -2.697 -4.501) 5.249 4.055 ( -2.199 -0.110 -7.433) 7.752 4.128 ( 0.570 1.467 -2.718) 3.140 4.165 ( -2.096 -1.384 -2.637) 3.642 4.180 ( 1.089 4.545 6.199) 7.764 4.358 ( -1.605 6.984 0.215) 7.169 4.434 ( 1.327 6.879 -0.823) 7.054 4.546 ( 1.106 8.191 -5.349) 9.845 4.610 ( -2.683 -2.864 2.490) 4.647 4.669 ( -1.179 -1.500 3.659) 4.126 4.786 ( 2.426 -0.168 -3.266) 4.073 4.824 ( -1.542 1.200 -3.208) 3.756 5.048 ( -0.983 -2.262 2.939) 3.837 5.223 ( 0.530 -6.291 -0.691) 6.351 5.242 ( 0.849 -3.000 2.694) 4.121 5.401 ( -1.213 -0.604 3.159) 3.438 5.473 ( -3.551 -1.393 -3.313) 5.052 5.535 ( -0.695 -1.207 -5.045) 5.234 5.587 ( -2.859 -1.989 1.607) 3.836 5.681 ( 2.856 -2.031 2.252) 4.165 5.713 ( -1.529 -1.794 -3.022) 3.832 5.770 ( 1.274 -4.520 -2.936) 5.539 5.842 ( 2.367 -5.119 -1.552) 5.849 5.927 ( 0.322 1.438 -3.143) 3.471 6.094 ( 7.031 -0.709 2.058) 7.360 6.104 ( -0.318 1.101 1.924) 2.240 6.244 ( -2.175 1.814 2.587) 3.836 6.252 ( -1.866 0.405 1.276) 2.297 6.363 ( -1.856 1.024 1.415) 2.548 6.455 ( -2.418 0.207 0.775) 2.548 6.605 ( -0.810 3.945 1.782) 4.404 6.657 ( 2.216 3.567 -0.852) 4.285 6.693 ( -4.130 1.785 4.382) 6.281 6.740 ( 1.880 0.793 4.105) 4.584 6.821 ( -0.585 -0.959 1.602) 1.957 6.828 ( 1.685 2.623 -0.976) 3.266 6.956 ( -1.113 2.013 -0.894) 2.468 6.991 ( 1.263 0.297 3.207) 3.459 7.075 ( 2.911 2.003 -0.072) 3.534 7.152 ( 0.103 3.245 -0.903) 3.370 7.199 ( 0.488 -1.850 1.895) 2.692 7.271 ( 0.709 -4.175 0.069) 4.235 7.331 ( -1.512 0.600 -0.445) 1.686 7.375 ( 1.741 3.064 -1.071) 3.684 7.414 ( -1.939 -1.339 -1.829) 2.983 7.478 ( 0.582 -3.645 -1.660) 4.047 7.626 ( 0.357 -4.820 3.895) 6.208 7.668 ( -1.311 -1.879 3.432) 4.127 7.760 ( 3.689 1.703 -1.618) 4.373 7.814 ( -0.435 -0.929 0.026) 1.026 7.868 ( 0.666 0.028 3.212) 3.280 7.896 ( -2.296 -1.587 0.399) 2.820 7.954 ( -3.372 -1.427 3.671) 5.185 7.991 ( 2.235 -2.224 -0.858) 3.268 8.035 ( -7.261 -3.597 3.947) 9.013 8.135 ( -0.926 1.771 -4.642) 5.054 8.194 ( 2.748 3.661 -3.343) 5.668 8.382 ( -0.246 0.923 -2.634) 2.802 8.413 ( 1.149 0.657 -1.105) 1.724 8.445 ( 3.139 -3.635 2.057) 5.225 8.507 ( -2.638 -0.183 -0.024) 2.644 8.611 ( -0.498 -0.266 -2.424) 2.489 8.900 ( -0.155 -8.010 1.537) 8.158 9.017 ( 2.256 -3.566 -1.314) 4.420 9.046 ( -1.494 -1.290 1.040) 2.231 9.102 ( 4.147 2.898 -3.316) 6.049 9.248 ( 2.038 6.302 3.867) 7.670 9.516 ( 4.784 1.369 -7.024) 8.608 9.755 ( -0.140 -1.586 2.291) 2.790 9.903 ( -0.583 -3.472 -1.324) 3.761 10.247 ( -4.643 6.658 -4.142) 9.113 10.269 ( -5.832 11.249 -8.063) 15.019 10.673 ( 1.411 -0.932 2.711) 3.195 10.732 ( 4.506 2.662 0.286) 5.241 11.232 ( -3.265 1.594 7.814) 8.617 11.562 ( 4.088 7.406 -10.400) 13.406 12.112 ( -7.254 -1.000 10.413) 12.730 12.448 ( 4.964 -2.746 -2.852) 6.350 12.648 ( -1.316 -2.607 0.067) 2.921 12.807 ( 1.211 3.983 -6.014) 7.314 13.508 ( -8.036 -13.474 6.813) 17.104 13.633 ( -0.883 -4.267 -0.004) 4.358 15.341 ( 0.047 4.625 0.181) 4.629 15.543 ( 9.348 -0.814 -9.931) 13.663 16.303 ( -0.751 1.388 0.652) 1.707 16.356 ( -1.884 0.934 -1.049) 2.350 17.096 ( -2.934 -2.585 2.515) 4.649 17.135 ( -0.591 -2.085 1.410) 2.586 17.231 ( 2.144 0.684 0.829) 2.398 17.304 ( -1.101 1.638 -2.256) 2.997 17.464 ( -1.648 1.755 2.487) 3.461 17.513 ( 1.131 3.461 0.476) 3.672 17.721 ( -2.598 -3.021 2.026) 4.470 17.819 ( 0.481 0.202 -1.337) 1.435 17.946 ( 0.014 0.674 -1.838) 1.958 17.988 ( 2.679 -0.130 -3.187) 4.165 18.162 ( -0.168 -0.682 2.931) 3.014 18.275 ( 0.524 -0.047 -2.925) 2.972 18.517 ( -2.367 -3.477 0.093) 4.208 18.579 ( 1.340 -3.264 -2.844) 4.532 18.825 ( -0.920 -5.325 4.976) 7.345 18.954 ( 2.130 -4.716 -1.351) 5.348 20.578 ( 0.319 -2.666 1.055) 2.885 20.600 ( -0.983 -1.791 -0.142) 2.048 20.729 ( -0.151 -0.402 2.721) 2.754 20.823 ( 2.744 -2.947 -1.278) 4.225 21.506 ( -1.127 0.751 1.367) 1.924 21.514 ( -0.063 0.525 1.130) 1.248 21.555 ( 0.421 0.976 -0.568) 1.206 21.586 ( 0.724 3.114 -2.745) 4.213 27.419 ( -1.352 -0.493 0.768) 1.631 27.434 ( -0.158 -0.256 0.275) 0.408 27.452 ( -0.394 0.225 0.141) 0.475 27.474 ( 2.405 0.048 -0.712) 2.508 27.753 ( 0.039 0.845 -0.096) 0.851 27.761 ( -0.116 1.109 -0.561) 1.248 27.834 ( -0.369 0.699 0.836) 1.151 27.851 ( -0.037 1.373 0.034) 1.374 35.226 ( -5.223 1.602 -0.064) 5.464 35.253 ( 6.584 1.466 -1.071) 6.829 35.650 ( -0.190 -1.382 3.874) 4.118 35.717 ( -2.272 0.049 1.143) 2.544 36.115 ( 0.542 -2.925 0.253) 2.986 36.153 ( 2.600 1.104 -2.638) 3.865 36.551 ( -1.521 -4.043 8.881) 9.876 36.865 ( 2.125 3.566 -8.319) 9.297 39.680 ( -5.790 -2.617 8.807) 10.860 39.904 ( -3.317 -7.003 2.351) 8.097 40.024 ( 5.795 -5.723 3.599) 8.904 40.365 ( -7.106 4.281 -7.865) 11.432 40.578 ( -2.530 2.909 -3.525) 5.224 40.620 ( 6.569 5.461 -4.173) 9.507 41.335 ( -4.277 -3.155 8.445) 9.978 41.634 ( 1.727 2.267 -6.743) 7.321 ======================= Grid point 96 (47/80) ======================= q-point: ( 0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 9.791 6.361 19.053) 22.346 1.590 ( 4.813 15.363 16.262) 22.883 1.831 ( 1.833 6.366 -13.952) 15.445 1.949 ( -3.366 8.075 -9.894) 13.208 2.034 ( 2.872 10.931 -5.799) 12.703 2.462 ( 6.057 9.736 -5.073) 12.539 2.542 ( -8.707 0.974 -1.637) 8.913 2.696 ( -3.101 -0.960 2.332) 3.997 2.832 ( -0.675 5.922 5.104) 7.846 2.954 ( 2.047 -5.012 -1.809) 5.708 2.986 ( -2.520 1.919 0.078) 3.168 3.094 ( -3.793 0.952 2.267) 4.520 3.148 ( -1.738 1.102 3.245) 3.843 3.197 ( -1.207 4.793 -0.026) 4.943 3.285 ( 2.678 1.015 0.523) 2.911 3.316 ( 0.761 4.132 4.377) 6.067 3.380 ( -1.958 0.122 -1.056) 2.227 3.455 ( -0.879 -0.569 2.985) 3.163 3.578 ( -0.998 2.770 -0.293) 2.959 3.652 ( 2.960 0.623 -3.813) 4.867 3.708 ( 6.368 2.026 4.213) 7.900 3.737 ( 1.105 -0.927 1.633) 2.179 3.833 ( 6.161 -1.232 -2.690) 6.835 3.964 ( 2.126 -0.208 -6.605) 6.942 4.092 ( -2.138 -0.088 -1.559) 2.647 4.108 ( -1.099 0.470 -1.168) 1.671 4.268 ( 0.927 4.043 4.116) 5.844 4.355 ( -1.231 8.258 4.942) 9.703 4.412 ( -1.852 6.316 -3.763) 7.581 4.489 ( 1.106 5.266 -5.571) 7.745 4.574 ( -4.658 2.613 4.546) 7.014 4.723 ( 1.993 -2.380 2.327) 3.879 4.771 ( -1.063 0.037 -0.335) 1.115 4.798 ( 0.597 -1.048 -1.492) 1.919 5.048 ( -2.047 -3.137 3.241) 4.954 5.239 ( 4.952 -5.152 -7.780) 10.564 5.311 ( 0.239 -0.935 6.302) 6.376 5.382 ( -2.713 -1.479 1.855) 3.604 5.424 ( -0.218 -3.056 -0.068) 3.065 5.481 ( -5.048 -2.510 0.391) 5.651 5.546 ( 1.962 0.197 0.162) 1.978 5.618 ( -4.495 -1.161 -1.082) 4.767 5.702 ( -4.657 -2.920 0.737) 5.546 5.754 ( -0.865 -0.952 -0.850) 1.542 5.806 ( -1.717 -3.757 -3.943) 5.711 5.912 ( 3.512 0.802 -3.999) 5.383 6.039 ( -1.889 -6.044 -1.645) 6.542 6.177 ( -0.447 1.196 3.798) 4.007 6.240 ( 0.889 -0.133 -1.693) 1.917 6.344 ( 2.082 1.316 2.568) 3.558 6.420 ( 3.515 1.178 0.840) 3.801 6.428 ( -0.982 0.896 4.213) 4.418 6.566 ( -7.935 3.001 4.358) 9.537 6.645 ( 2.916 0.337 0.193) 2.942 6.749 ( 6.251 4.240 -1.226) 7.652 6.832 ( 2.700 1.107 2.642) 3.936 6.865 ( 2.813 1.739 -2.940) 4.425 6.893 ( 0.011 4.167 1.537) 4.442 6.929 ( 3.347 0.862 3.105) 4.646 7.017 ( 0.966 2.885 -1.077) 3.227 7.101 ( 0.621 4.396 -2.747) 5.221 7.174 ( 1.261 -1.308 3.111) 3.602 7.181 ( -1.511 0.466 -4.999) 5.243 7.275 ( -1.268 -2.555 0.240) 2.862 7.301 ( -2.286 -0.059 4.699) 5.226 7.349 ( -2.199 0.807 -2.854) 3.692 7.416 ( -5.476 -2.436 0.587) 6.022 7.442 ( 4.605 -1.477 -1.033) 4.945 7.553 ( -4.975 -1.114 2.387) 5.629 7.649 ( -2.374 -0.504 -2.360) 3.385 7.785 ( 2.635 -3.467 -0.165) 4.358 7.820 ( -2.396 -2.269 2.848) 4.359 7.850 ( -2.212 -1.835 -3.570) 4.583 7.892 ( -4.707 -2.002 2.877) 5.869 7.917 ( -4.059 -1.184 6.776) 7.987 8.005 ( -2.605 3.869 -3.831) 6.036 8.081 ( 10.275 -0.741 -0.389) 10.309 8.115 ( 2.316 1.964 5.001) 5.851 8.221 ( 1.147 4.059 -2.762) 5.042 8.347 ( -3.557 -1.502 3.889) 5.480 8.375 ( 2.246 -2.282 -7.114) 7.801 8.511 ( -2.139 -2.257 -2.277) 3.854 8.537 ( 4.189 -1.078 3.517) 5.575 8.603 ( 4.068 -1.017 -1.151) 4.348 8.870 ( -1.139 -0.742 0.507) 1.451 8.927 ( -8.524 -0.800 -1.848) 8.759 9.035 ( 1.022 -4.139 -3.567) 5.559 9.204 ( 4.118 2.824 1.193) 5.134 9.246 ( -3.476 1.371 -0.214) 3.743 9.534 ( 3.958 -2.357 -7.250) 8.589 9.742 ( -4.031 -1.037 0.729) 4.226 9.916 ( 4.954 3.256 -0.862) 5.991 10.079 ( -2.512 3.979 2.849) 5.502 10.316 ( 5.219 8.110 -1.578) 9.772 10.686 ( -1.291 -1.345 -0.268) 1.883 10.783 ( 2.921 1.472 -2.750) 4.273 11.249 ( -2.741 1.301 6.770) 7.419 11.541 ( 3.861 6.147 -8.970) 11.539 12.077 ( -6.691 -0.649 10.458) 12.432 12.530 ( 6.494 -5.067 -4.984) 9.628 12.647 ( -0.349 -0.983 3.650) 3.796 12.774 ( 1.561 3.675 -4.927) 6.342 13.385 ( -11.578 -9.427 9.340) 17.611 13.638 ( -0.429 -3.448 2.268) 4.149 15.298 ( -3.170 6.808 -1.546) 7.667 15.565 ( 4.010 -2.313 -10.610) 11.576 16.311 ( -0.456 0.812 2.167) 2.359 16.325 ( -0.204 0.881 0.402) 0.990 17.037 ( -3.758 -2.126 1.746) 4.658 17.165 ( -0.578 -2.221 4.729) 5.257 17.206 ( -3.747 4.010 -0.946) 5.569 17.324 ( 4.293 -0.116 -1.102) 4.434 17.451 ( -1.258 0.463 2.009) 2.415 17.562 ( 3.014 2.140 -0.712) 3.764 17.694 ( -2.517 -2.713 1.679) 4.064 17.792 ( -2.099 1.865 -0.520) 2.856 17.958 ( 3.016 0.651 -1.899) 3.623 18.039 ( 5.079 -1.823 -2.290) 5.862 18.159 ( -2.215 -0.944 1.806) 3.009 18.235 ( -1.714 0.511 -2.591) 3.148 18.482 ( -2.136 -3.959 2.142) 4.983 18.580 ( 1.608 -2.666 -2.470) 3.974 18.851 ( -0.652 -5.425 3.073) 6.269 18.989 ( 2.857 -5.562 -2.658) 6.794 20.574 ( -1.185 -1.533 0.044) 1.938 20.599 ( 0.305 -2.895 0.973) 3.070 20.731 ( -1.918 -0.127 1.108) 2.219 20.802 ( -1.868 -1.161 -2.430) 3.278 21.497 ( -1.328 1.132 1.650) 2.401 21.521 ( -0.169 0.501 0.798) 0.957 21.552 ( 0.151 1.673 -0.988) 1.949 21.569 ( 0.024 1.632 -1.456) 2.187 27.381 ( -2.302 0.190 0.949) 2.498 27.444 ( 0.114 0.254 -0.583) 0.646 27.455 ( 1.084 -0.455 0.450) 1.259 27.510 ( 1.492 -0.827 -0.836) 1.900 27.753 ( 0.143 0.720 -0.070) 0.738 27.760 ( 0.270 1.023 -0.140) 1.067 27.832 ( -0.675 1.026 0.861) 1.500 27.843 ( -0.677 1.363 -0.127) 1.527 35.197 ( 1.562 0.491 1.079) 1.961 35.438 ( 12.749 1.559 -4.140) 13.495 35.637 ( -3.133 -3.181 2.923) 5.336 35.740 ( 1.747 1.557 2.301) 3.282 36.103 ( -1.064 -2.070 -2.306) 3.277 36.149 ( 0.239 1.200 -3.391) 3.605 36.589 ( -3.484 -5.209 7.219) 9.560 36.840 ( 3.293 3.329 -6.108) 7.696 39.649 ( -6.676 -2.133 9.649) 11.926 39.826 ( -4.974 -2.774 2.612) 6.266 40.218 ( 2.144 -1.479 -8.930) 9.302 40.233 ( 4.054 -8.316 8.512) 12.572 40.378 ( -5.396 7.707 -3.577) 10.065 40.852 ( 12.686 5.030 -4.127) 14.258 41.320 ( -5.333 -5.546 7.769) 10.934 41.622 ( 3.031 4.292 -4.347) 6.820 ======================= Grid point 97 (48/80) ======================= q-point: (-0.60 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -19.432 4.924 -4.284) 20.499 1.672 ( -7.994 13.307 5.781) 16.565 1.866 ( 6.066 5.664 -16.773) 18.714 1.905 ( 5.674 6.230 4.838) 9.717 2.042 ( 8.082 11.384 -2.864) 14.252 2.456 ( 3.285 4.607 5.430) 7.842 2.567 ( 7.399 7.551 -2.006) 10.760 2.682 ( -3.073 0.023 4.752) 5.659 2.799 ( -4.029 5.028 -0.641) 6.475 2.880 ( -3.523 2.479 -5.214) 6.764 2.956 ( 0.406 -6.044 -2.372) 6.505 3.096 ( -0.151 1.002 1.131) 1.519 3.128 ( -4.084 0.049 4.491) 6.070 3.234 ( 0.274 1.152 4.216) 4.380 3.287 ( -0.874 2.624 -4.631) 5.394 3.346 ( 1.305 4.346 -1.733) 4.858 3.383 ( 0.316 0.256 6.195) 6.209 3.476 ( -0.729 -1.328 3.628) 3.932 3.556 ( -1.052 0.967 0.519) 1.520 3.636 ( -0.089 -0.293 -3.421) 3.435 3.774 ( 4.422 0.779 -3.440) 5.656 3.861 ( -3.292 2.197 5.450) 6.735 3.880 ( 4.373 -2.456 -4.949) 7.046 3.919 ( -1.698 -2.385 -4.698) 5.536 4.100 ( 1.486 2.347 0.567) 2.835 4.107 ( 2.497 3.559 1.609) 4.636 4.297 ( 2.680 5.230 0.630) 5.910 4.331 ( -5.385 4.147 3.417) 7.608 4.386 ( 0.338 6.874 0.629) 6.911 4.485 ( -2.984 4.295 3.388) 6.232 4.555 ( 2.215 5.276 2.128) 6.105 4.764 ( 3.132 -3.448 -4.330) 6.360 4.779 ( 0.459 -0.155 0.252) 0.546 4.796 ( 0.345 0.216 1.860) 1.904 5.045 ( -1.400 -3.664 3.216) 5.072 5.260 ( 5.487 -4.661 -8.623) 11.233 5.328 ( -0.249 1.983 4.404) 4.836 5.374 ( -3.665 -3.697 0.152) 5.208 5.394 ( -2.709 -1.539 3.385) 4.601 5.414 ( -1.733 -0.089 0.546) 1.819 5.537 ( -2.777 -2.284 -0.028) 3.596 5.585 ( -1.111 0.036 -0.918) 1.442 5.661 ( -2.512 -1.718 1.296) 3.308 5.697 ( 2.839 -2.163 -1.708) 3.957 5.768 ( 2.639 -3.207 -3.314) 5.313 5.966 ( 2.258 -0.615 -3.159) 3.932 6.054 ( 3.484 -8.550 2.341) 9.525 6.152 ( -1.295 0.039 -3.711) 3.930 6.264 ( -2.312 -1.379 5.196) 5.852 6.347 ( -3.936 -0.777 2.782) 4.882 6.383 ( -1.111 0.847 1.763) 2.249 6.517 ( 2.734 5.193 1.069) 5.965 6.529 ( -2.012 6.085 5.080) 8.178 6.704 ( 0.496 0.884 1.905) 2.158 6.765 ( -5.772 1.130 0.239) 5.886 6.828 ( 1.654 1.590 -2.233) 3.202 6.874 ( -1.402 6.622 -3.960) 7.842 6.907 ( 3.781 4.265 -5.169) 7.694 7.030 ( 2.129 -1.102 -0.595) 2.470 7.071 ( -3.599 0.576 2.989) 4.714 7.084 ( 6.966 1.792 1.336) 7.316 7.129 ( -0.173 0.929 0.388) 1.022 7.192 ( -3.392 -5.911 -2.713) 7.335 7.233 ( -2.893 -4.075 0.209) 5.002 7.275 ( -2.435 2.276 -0.601) 3.387 7.293 ( 3.282 3.727 0.214) 4.971 7.409 ( 1.611 -1.540 3.332) 4.009 7.495 ( 1.147 -0.544 -0.918) 1.566 7.528 ( -0.825 1.204 0.959) 1.746 7.643 ( -0.266 -0.116 1.604) 1.630 7.672 ( -3.248 -1.860 -3.083) 4.849 7.778 ( -2.688 -3.525 0.856) 4.515 7.810 ( -3.515 -0.405 -3.011) 4.646 7.865 ( 1.403 -2.234 -2.642) 3.733 7.911 ( -3.463 3.785 -0.297) 5.139 7.964 ( 0.990 -1.084 6.646) 6.806 8.134 ( -0.633 4.191 -1.419) 4.470 8.252 ( 0.870 1.079 4.671) 4.872 8.270 ( 1.495 -1.812 2.682) 3.565 8.301 ( 0.576 -5.420 0.097) 5.452 8.375 ( 2.715 -2.393 -7.871) 8.663 8.461 ( 2.224 4.086 -0.018) 4.652 8.650 ( 3.839 -2.286 0.593) 4.507 8.687 ( 2.534 0.791 2.862) 3.903 8.725 ( -7.545 -0.690 -0.752) 7.613 8.886 ( 0.486 0.623 1.865) 2.025 8.965 ( -2.527 -1.362 -7.319) 7.862 9.171 ( -0.351 -1.434 -5.084) 5.294 9.271 ( 0.012 3.165 3.088) 4.422 9.518 ( 2.333 -3.934 -7.415) 8.712 9.715 ( -0.347 -2.614 3.797) 4.623 10.013 ( 4.793 3.141 -1.350) 5.887 10.095 ( -0.092 1.970 2.823) 3.444 10.416 ( 2.676 6.538 5.221) 8.784 10.607 ( -3.569 0.535 -5.442) 6.530 10.814 ( 3.772 -1.484 -3.968) 5.672 11.254 ( -3.484 1.513 5.762) 6.901 11.536 ( 4.749 6.298 -8.122) 11.322 12.079 ( -4.423 -0.248 11.010) 11.868 12.554 ( 4.096 -5.721 -10.453) 12.601 12.700 ( 1.348 -0.871 2.637) 3.087 12.799 ( 3.408 1.678 0.406) 3.820 13.298 ( -9.451 -6.866 15.675) 19.549 13.648 ( -1.261 -3.184 2.437) 4.203 15.239 ( 0.102 8.066 -1.960) 8.301 15.499 ( 0.634 -0.261 -11.075) 11.096 16.326 ( 0.218 1.044 2.176) 2.424 16.348 ( 0.088 0.898 2.379) 2.544 17.010 ( -1.005 -0.781 2.321) 2.647 17.126 ( -2.725 3.216 -1.089) 4.354 17.200 ( -1.830 -1.747 6.320) 6.807 17.395 ( 3.369 -1.130 -1.364) 3.806 17.455 ( -0.431 0.164 1.867) 1.923 17.582 ( 0.821 1.138 -4.178) 4.407 17.660 ( -2.095 -1.362 2.249) 3.362 17.750 ( -0.821 2.233 -0.631) 2.462 18.005 ( 2.819 0.550 -0.964) 3.029 18.096 ( -0.586 -2.722 0.038) 2.785 18.152 ( 3.275 -1.319 -1.175) 3.721 18.167 ( -2.145 0.792 -2.220) 3.187 18.489 ( -0.369 -4.509 4.470) 6.359 18.597 ( 2.012 -3.014 -1.063) 3.777 18.849 ( -2.179 -5.159 1.371) 5.766 18.984 ( 0.555 -5.752 -5.161) 7.748 20.554 ( -0.986 -0.754 0.543) 1.355 20.613 ( -0.031 -2.802 1.114) 3.015 20.684 ( -2.205 0.957 -1.423) 2.794 20.736 ( -2.318 0.276 -2.014) 3.083 21.491 ( -0.934 1.065 1.647) 2.172 21.523 ( -0.432 0.551 0.590) 0.915 21.547 ( 0.419 1.924 -0.941) 2.182 21.558 ( 0.246 0.822 -1.318) 1.572 27.365 ( -0.683 0.427 1.534) 1.732 27.442 ( 0.599 0.094 -1.251) 1.390 27.478 ( 0.647 -0.579 0.616) 1.065 27.513 ( -0.351 -0.703 -0.511) 0.937 27.760 ( 0.338 0.625 0.106) 0.719 27.765 ( 0.450 0.794 -0.014) 0.913 27.823 ( -1.065 1.121 0.530) 1.635 27.832 ( -0.091 1.365 0.009) 1.368 35.280 ( 3.242 0.149 3.669) 4.899 35.529 ( 0.321 -1.319 -3.102) 3.386 35.682 ( 4.811 -0.889 1.441) 5.100 35.816 ( 3.986 2.221 3.095) 5.514 36.014 ( -3.608 -2.193 -6.201) 7.502 36.110 ( 0.054 2.154 -4.578) 5.060 36.583 ( -4.188 -6.721 7.172) 10.684 36.851 ( 3.487 2.590 -5.559) 7.055 39.642 ( -3.998 0.008 9.899) 10.676 39.798 ( -2.238 -1.171 5.369) 5.933 40.104 ( -6.450 1.571 -6.294) 9.148 40.200 ( 2.920 -5.480 -8.761) 10.738 40.527 ( 6.472 -1.797 9.686) 11.787 40.952 ( 2.891 2.816 -5.793) 7.060 41.351 ( 0.748 -6.723 8.370) 10.762 41.645 ( 2.591 3.625 -2.950) 5.344 ======================= Grid point 98 (49/80) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -18.689 11.189 10.748) 24.290 1.432 ( -19.200 18.264 7.339) 27.496 1.847 ( 7.613 4.212 -13.797) 16.311 1.940 ( -0.773 11.528 -0.366) 11.560 2.208 ( 2.813 10.927 1.879) 11.439 2.583 ( -0.558 1.924 -1.521) 2.516 2.625 ( -1.307 5.545 -1.456) 5.880 2.707 ( 4.905 4.747 5.353) 8.674 2.719 ( -1.110 2.153 -3.288) 4.084 2.844 ( 3.984 -2.339 -1.953) 5.016 2.948 ( 0.318 -2.494 1.881) 3.141 3.020 ( -2.480 0.910 -2.603) 3.709 3.157 ( 0.273 0.526 4.630) 4.668 3.228 ( -0.807 3.163 -0.704) 3.339 3.270 ( -0.182 0.242 1.298) 1.333 3.348 ( -0.400 4.028 -0.304) 4.059 3.430 ( -1.805 -1.486 4.045) 4.672 3.497 ( 0.191 -1.638 1.769) 2.419 3.537 ( -0.476 -0.593 -1.403) 1.595 3.598 ( -1.425 0.102 0.811) 1.643 3.719 ( -5.676 1.730 0.589) 5.963 3.790 ( -6.332 -1.862 -1.859) 6.857 3.862 ( 0.003 -1.677 -4.933) 5.210 3.967 ( 9.413 0.362 0.878) 9.460 4.136 ( 2.035 3.573 -1.707) 4.452 4.166 ( 1.584 1.764 0.000) 2.371 4.239 ( -5.983 2.133 2.912) 6.988 4.376 ( 2.001 4.121 -1.904) 4.961 4.406 ( -1.555 6.323 4.128) 7.709 4.492 ( 2.611 6.119 3.865) 7.694 4.632 ( 3.131 5.699 -0.899) 6.564 4.745 ( -2.855 0.137 -0.465) 2.896 4.773 ( 1.588 -2.929 -3.313) 4.698 4.854 ( 3.305 0.568 -0.370) 3.374 5.040 ( -2.102 -2.885 1.701) 3.954 5.226 ( -1.793 -6.657 -2.076) 7.200 5.328 ( -1.045 -6.346 -0.737) 6.473 5.388 ( 1.723 1.310 0.847) 2.324 5.419 ( -0.538 1.019 4.280) 4.432 5.445 ( 4.121 -1.755 2.571) 5.164 5.532 ( 6.232 0.835 -2.904) 6.926 5.588 ( 0.393 -2.492 0.068) 2.524 5.608 ( 1.242 3.271 -1.118) 3.673 5.749 ( 3.914 -3.892 -4.457) 7.095 5.822 ( 1.220 -2.760 3.140) 4.355 5.919 ( -2.803 -3.521 -4.747) 6.542 6.069 ( -3.029 -0.614 -0.356) 3.111 6.120 ( -1.569 -1.195 -1.112) 2.265 6.269 ( 0.895 -3.268 6.219) 7.082 6.351 ( -3.584 0.718 5.406) 6.525 6.398 ( 3.822 -1.427 -1.083) 4.221 6.535 ( -0.121 1.686 -2.024) 2.637 6.572 ( -2.289 4.579 7.707) 9.252 6.659 ( -3.808 4.427 1.640) 6.065 6.686 ( -3.779 1.302 2.488) 4.708 6.767 ( -3.780 4.372 -3.393) 6.702 6.839 ( 2.269 4.338 -3.364) 5.939 6.941 ( 4.739 2.674 -5.704) 7.883 6.981 ( -7.964 -2.050 2.044) 8.474 7.005 ( -6.997 -2.933 -0.604) 7.611 7.081 ( 0.403 3.319 2.531) 4.193 7.121 ( -2.204 -2.886 -0.390) 3.652 7.163 ( -0.722 -3.132 2.466) 4.051 7.282 ( 1.999 1.130 4.473) 5.028 7.302 ( 4.472 -3.011 -1.984) 5.744 7.360 ( 1.308 0.157 -0.092) 1.320 7.411 ( 0.162 0.993 -1.397) 1.722 7.474 ( -1.544 2.819 2.020) 3.797 7.560 ( 4.374 2.328 -3.768) 6.225 7.639 ( -0.333 -2.028 0.216) 2.066 7.677 ( 0.239 2.721 -0.106) 2.734 7.704 ( -0.406 -3.235 -0.371) 3.281 7.764 ( -1.573 -2.479 2.356) 3.764 7.810 ( -4.028 1.456 1.370) 4.497 7.895 ( 2.784 -1.951 -3.880) 5.158 8.067 ( 4.763 0.075 -1.592) 5.023 8.147 ( 2.546 5.585 3.000) 6.832 8.226 ( -2.757 -3.341 1.520) 4.590 8.312 ( 1.250 -0.860 5.106) 5.326 8.333 ( -1.926 -5.679 0.699) 6.037 8.370 ( 3.063 -3.537 -5.726) 7.394 8.492 ( -0.953 2.481 -2.738) 3.816 8.622 ( -2.644 2.494 2.820) 4.600 8.702 ( -0.876 0.174 0.565) 1.057 8.739 ( 0.273 -1.286 -0.928) 1.609 8.865 ( 3.435 1.533 -6.354) 7.384 8.936 ( 1.343 -1.235 3.981) 4.379 9.125 ( 1.572 0.444 -7.017) 7.204 9.272 ( -2.130 0.173 1.989) 2.919 9.493 ( 3.283 -1.510 -7.394) 8.230 9.779 ( -0.055 -1.757 6.576) 6.807 9.974 ( -1.910 -5.895 -6.923) 9.291 10.236 ( 6.722 9.395 10.938) 15.909 10.402 ( -4.327 6.958 -5.917) 10.107 10.571 ( 1.861 0.894 4.059) 4.554 10.813 ( 1.621 -3.793 -9.316) 10.188 11.235 ( -4.579 1.876 6.526) 8.190 11.560 ( 6.310 7.653 -8.787) 13.251 12.112 ( -4.162 -0.278 11.058) 11.818 12.500 ( 1.968 -4.492 -10.965) 12.012 12.729 ( -0.800 -2.154 1.125) 2.558 12.844 ( 2.310 1.286 -3.742) 4.582 13.376 ( -2.286 -10.453 20.964) 23.536 13.641 ( -0.442 -2.894 0.346) 2.948 15.285 ( 5.672 9.006 -0.425) 10.651 15.385 ( -0.137 1.675 -11.147) 11.273 16.348 ( -0.973 1.611 1.665) 2.513 16.367 ( 0.262 1.660 2.034) 2.638 17.039 ( 0.776 0.718 2.522) 2.735 17.097 ( 1.511 1.546 -1.220) 2.482 17.210 ( -4.060 -1.747 6.427) 7.800 17.407 ( 0.046 -1.415 -1.560) 2.106 17.454 ( -2.447 0.771 1.521) 2.983 17.535 ( -0.318 0.790 -2.445) 2.589 17.683 ( 1.907 0.543 1.522) 2.499 17.766 ( 3.240 0.478 -1.523) 3.612 18.034 ( -0.343 -0.790 0.622) 1.062 18.037 ( -2.249 -0.454 -2.131) 3.131 18.121 ( -1.230 -0.254 -0.607) 1.395 18.224 ( 4.629 -1.477 -2.486) 5.457 18.546 ( 0.491 -4.748 4.745) 6.731 18.621 ( 0.910 -4.537 -1.112) 4.759 18.802 ( -3.349 -4.585 1.531) 5.880 18.930 ( 0.034 -4.367 -4.194) 6.055 20.556 ( -0.483 -0.335 2.320) 2.393 20.607 ( 0.013 -1.036 -0.532) 1.164 20.662 ( 0.412 0.630 0.631) 0.982 20.684 ( -1.129 0.352 -1.087) 1.606 21.494 ( -0.475 0.793 1.551) 1.806 21.518 ( -0.638 0.565 0.619) 1.053 21.548 ( 0.438 1.128 -0.721) 1.409 21.557 ( 1.421 1.944 -1.516) 2.846 27.380 ( 0.365 0.256 1.735) 1.791 27.437 ( 0.468 0.055 -2.026) 2.080 27.486 ( -0.769 -0.631 0.705) 1.219 27.494 ( -0.974 -0.226 0.009) 1.000 27.761 ( -0.199 0.679 0.031) 0.709 27.775 ( 0.522 0.844 -0.504) 1.113 27.815 ( -0.302 0.683 0.927) 1.191 27.836 ( 0.462 1.377 -0.089) 1.455 35.331 ( -3.219 -0.283 4.170) 5.275 35.503 ( 1.214 -3.051 -3.496) 4.796 35.716 ( -3.961 1.011 -0.471) 4.115 35.842 ( -6.899 0.946 0.546) 6.985 35.967 ( 7.922 -2.131 -2.942) 8.716 36.084 ( 3.094 2.771 -4.871) 6.402 36.555 ( -7.120 -7.875 8.152) 13.385 36.867 ( 4.965 2.900 -6.829) 8.927 39.682 ( -3.273 1.611 10.548) 11.162 39.823 ( -1.710 -3.051 4.318) 5.556 39.983 ( -0.173 -0.464 -1.360) 1.447 40.175 ( 4.703 -1.852 -9.243) 10.535 40.682 ( -0.172 2.950 6.964) 7.565 40.917 ( 2.049 -5.225 -7.314) 9.219 41.438 ( -2.208 -6.446 6.427) 9.367 41.653 ( 2.860 1.366 -5.151) 6.048 ======================= Grid point 99 (50/80) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -8.473 13.619 22.486) 27.620 1.229 ( -12.002 20.465 17.216) 29.313 1.784 ( -14.637 25.944 21.844) 36.939 1.966 ( 8.102 2.454 -6.405) 10.615 2.192 ( 1.475 6.120 -12.736) 14.207 2.449 ( 0.474 10.814 -16.036) 19.347 2.636 ( -0.496 -0.159 6.305) 6.326 2.673 ( 2.719 -2.202 -6.438) 7.327 2.860 ( 0.824 2.134 1.801) 2.911 2.878 ( 1.830 -0.493 1.338) 2.320 2.964 ( 3.452 0.800 0.102) 3.545 3.095 ( 4.868 -0.120 0.401) 4.886 3.187 ( -0.926 -1.036 3.460) 3.729 3.243 ( 1.643 2.202 0.434) 2.781 3.267 ( -0.652 1.907 0.911) 2.212 3.330 ( -1.321 1.636 0.774) 2.240 3.408 ( -3.699 -2.109 3.573) 5.559 3.463 ( -3.262 -1.078 -2.884) 4.485 3.542 ( 1.534 0.900 -0.018) 1.779 3.596 ( -1.459 1.963 1.788) 3.030 3.638 ( -3.162 1.701 1.984) 4.102 3.676 ( -3.666 2.127 0.932) 4.340 3.827 ( 0.421 -2.240 -3.634) 4.289 4.118 ( 1.512 0.547 -0.455) 1.671 4.126 ( 0.902 2.427 0.586) 2.655 4.145 ( -2.549 2.651 1.726) 4.062 4.206 ( 0.517 -0.752 -1.976) 2.176 4.381 ( 0.135 4.808 -0.628) 4.850 4.415 ( -1.275 4.756 4.068) 6.387 4.560 ( 2.977 9.084 -4.673) 10.640 4.637 ( -2.736 -0.407 -0.137) 2.770 4.680 ( -0.609 -0.426 -0.434) 0.860 4.779 ( 2.136 0.041 -3.451) 4.059 4.873 ( 0.147 1.440 -2.758) 3.114 5.030 ( -0.418 -2.269 2.129) 3.139 5.209 ( 1.243 -6.234 -0.739) 6.400 5.259 ( -4.116 -5.758 0.329) 7.085 5.390 ( -1.619 1.417 3.656) 4.242 5.522 ( 6.034 -2.514 -0.312) 6.544 5.550 ( -0.967 0.687 3.742) 3.926 5.584 ( 3.860 -1.562 -2.327) 4.771 5.641 ( 2.486 -3.777 -2.569) 5.201 5.699 ( 7.816 1.153 -1.758) 8.094 5.768 ( 0.916 -4.432 0.057) 4.526 5.794 ( -1.731 -3.617 -6.095) 7.295 5.870 ( 4.063 -2.163 -0.729) 4.661 6.030 ( -0.290 2.047 -0.189) 2.076 6.072 ( -1.466 3.894 1.485) 4.418 6.280 ( -5.327 1.184 0.781) 5.513 6.354 ( -1.212 -5.237 3.335) 6.326 6.429 ( -3.404 1.174 -1.612) 3.945 6.485 ( -3.968 -0.900 1.426) 4.311 6.573 ( 1.917 4.194 3.134) 5.576 6.644 ( -1.491 3.211 4.757) 5.929 6.684 ( -2.294 2.895 2.444) 4.429 6.711 ( 0.582 3.857 -1.325) 4.119 6.822 ( -1.865 2.473 0.852) 3.213 6.866 ( -3.735 -0.460 2.939) 4.775 6.937 ( -0.547 -2.956 1.219) 3.244 6.985 ( 0.941 -2.780 1.084) 3.129 7.037 ( -3.048 -0.653 -0.029) 3.117 7.133 ( 0.778 1.992 1.541) 2.635 7.208 ( 0.540 -2.013 3.782) 4.318 7.253 ( -0.776 1.198 -2.933) 3.262 7.349 ( -1.080 -0.018 -1.863) 2.154 7.371 ( 2.738 1.030 -1.805) 3.437 7.438 ( 4.415 -1.924 -1.936) 5.191 7.467 ( -3.913 5.100 3.584) 7.361 7.579 ( 0.277 -5.484 -0.898) 5.564 7.638 ( 5.536 1.192 -2.903) 6.364 7.681 ( -0.554 0.251 0.831) 1.029 7.743 ( 3.238 0.327 2.287) 3.978 7.842 ( 3.136 -2.566 1.550) 4.338 7.848 ( 1.801 -1.014 10.213) 10.420 7.924 ( 3.533 -1.561 -1.461) 4.130 8.084 ( -1.912 1.165 -1.959) 2.975 8.143 ( -6.173 -6.464 -1.699) 9.098 8.187 ( -1.867 2.404 -1.936) 3.608 8.248 ( -4.067 -1.425 -1.227) 4.481 8.368 ( 2.455 -3.640 0.610) 4.433 8.400 ( 1.798 -1.188 -1.907) 2.877 8.417 ( -0.766 1.385 -3.786) 4.103 8.616 ( -4.634 -0.944 -1.360) 4.921 8.622 ( -0.962 2.138 0.427) 2.383 8.798 ( 5.414 -1.791 3.599) 6.743 8.952 ( 5.774 0.850 -0.174) 5.839 8.994 ( 1.481 -3.393 1.693) 4.071 9.103 ( 3.114 2.099 -4.570) 5.915 9.230 ( -4.028 1.707 1.839) 4.745 9.499 ( 4.326 1.822 -6.700) 8.181 9.779 ( -2.962 -3.146 0.093) 4.322 9.912 ( -0.344 -3.167 -0.028) 3.186 10.278 ( -0.291 9.116 -7.234) 11.641 10.506 ( 7.879 6.532 8.932) 13.584 10.634 ( -5.908 0.580 -9.416) 11.131 10.652 ( -0.476 -0.724 0.036) 0.867 11.223 ( -4.108 1.958 7.881) 9.101 11.581 ( 5.593 8.800 -10.754) 14.979 12.129 ( -5.511 -0.775 10.678) 12.042 12.433 ( 1.705 -2.776 -7.416) 8.100 12.690 ( -2.686 -3.206 -0.442) 4.206 12.836 ( 1.565 3.191 -4.825) 5.992 13.514 ( -1.686 -13.719 9.960) 17.037 13.653 ( 0.225 -6.377 0.705) 6.419 15.319 ( 2.502 3.233 -4.609) 6.161 15.421 ( 9.536 5.941 -3.443) 11.751 16.326 ( -1.524 1.792 -0.211) 2.362 16.386 ( -0.532 1.532 0.789) 1.804 17.072 ( 1.408 -0.368 0.885) 1.703 17.160 ( 3.510 0.498 1.299) 3.775 17.178 ( -4.039 -2.091 3.298) 5.618 17.360 ( -2.249 0.537 -2.009) 3.063 17.448 ( -0.187 0.390 2.394) 2.432 17.517 ( -0.819 2.964 0.085) 3.077 17.733 ( 0.707 0.189 1.381) 1.563 17.807 ( 2.546 -1.735 -2.557) 4.004 17.975 ( -0.955 0.403 -1.901) 2.165 18.017 ( -2.315 -1.171 -1.321) 2.911 18.117 ( 0.958 0.332 2.112) 2.343 18.270 ( 3.064 -0.831 -3.128) 4.456 18.559 ( -1.580 -3.993 -0.051) 4.295 18.597 ( -0.303 -4.612 -3.107) 5.569 18.791 ( -1.499 -4.983 5.485) 7.561 18.932 ( 1.947 -3.744 -1.059) 4.351 20.563 ( -0.052 -2.107 0.975) 2.322 20.619 ( -0.774 -1.600 0.284) 1.800 20.696 ( 0.695 -0.389 2.278) 2.413 20.716 ( 5.844 0.530 2.057) 6.219 21.503 ( -0.186 0.610 1.423) 1.560 21.512 ( -0.757 0.560 0.908) 1.308 21.551 ( 0.500 0.905 -0.543) 1.168 21.579 ( 2.491 3.033 -2.281) 4.540 27.405 ( 0.604 -0.001 1.133) 1.284 27.430 ( 1.178 0.263 -1.325) 1.793 27.463 ( -1.681 -0.535 0.291) 1.788 27.479 ( -1.292 0.321 0.539) 1.436 27.756 ( -0.194 0.781 -0.158) 0.820 27.771 ( -0.162 1.103 -0.682) 1.307 27.827 ( 0.324 0.296 0.753) 0.871 27.845 ( 0.410 1.433 0.127) 1.496 35.260 ( -4.859 -1.370 0.172) 5.052 35.399 ( -8.880 3.229 -5.344) 10.855 35.618 ( -1.757 -3.092 2.846) 4.555 35.764 ( -3.764 1.402 1.997) 4.486 36.075 ( 4.010 -2.723 -0.008) 4.847 36.116 ( 3.423 1.901 -2.657) 4.732 36.513 ( -4.562 -5.172 8.460) 10.915 36.889 ( 4.143 3.037 -7.577) 9.154 39.696 ( -5.047 -0.305 8.489) 9.881 39.849 ( 0.981 -2.941 5.284) 6.126 39.997 ( 1.081 -7.447 -3.216) 8.183 40.280 ( 12.284 6.045 -1.228) 13.746 40.642 ( -4.694 -2.158 -4.119) 6.607 40.843 ( -5.865 -0.044 -7.347) 9.401 41.367 ( -7.354 -4.936 4.289) 9.840 41.660 ( 2.500 0.865 -5.247) 5.876 ======================= Grid point 100 (51/80) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -1.204 18.709 16.130) 24.732 1.685 ( -2.030 16.015 18.390) 24.470 2.107 ( 4.803 7.805 -10.454) 13.902 2.224 ( -0.267 9.103 -8.296) 12.319 2.425 ( -3.068 20.899 3.252) 21.372 2.575 ( 2.982 4.618 -4.206) 6.922 2.658 ( -2.211 7.917 2.351) 8.549 2.712 ( -2.318 -4.795 1.966) 5.677 2.824 ( 5.612 5.573 -5.793) 9.804 2.933 ( -1.207 -0.160 1.576) 1.992 3.030 ( 0.538 1.409 1.265) 1.968 3.128 ( -2.130 -0.993 2.716) 3.591 3.226 ( -1.868 -2.837 3.015) 4.542 3.228 ( 2.216 -0.376 -0.586) 2.322 3.303 ( 2.001 0.907 2.801) 3.560 3.381 ( 1.679 4.832 2.042) 5.508 3.439 ( -3.386 6.977 1.164) 7.842 3.455 ( 2.228 3.283 -2.039) 4.461 3.545 ( -0.313 -0.539 -0.916) 1.108 3.646 ( 1.473 3.053 -1.398) 3.666 3.712 ( 1.393 -1.873 -2.176) 3.191 3.723 ( 3.773 4.996 -0.274) 6.267 3.784 ( -2.481 4.911 3.959) 6.778 4.084 ( -1.489 1.030 -0.646) 1.922 4.133 ( -1.240 1.361 -4.881) 5.217 4.174 ( -0.436 -0.213 -4.473) 4.499 4.303 ( -0.770 5.820 6.552) 8.798 4.490 ( 0.560 4.032 4.795) 6.290 4.518 ( -1.092 -3.144 0.493) 3.364 4.560 ( -0.629 2.138 3.996) 4.575 4.634 ( -0.332 1.703 -0.376) 1.775 4.722 ( -0.800 5.638 -1.610) 5.918 4.809 ( 0.358 2.472 -0.331) 2.519 4.869 ( -2.310 4.578 -5.340) 7.403 5.007 ( 0.694 -1.423 -1.244) 2.013 5.053 ( 3.088 -7.432 -2.975) 8.580 5.228 ( -0.289 -0.882 6.545) 6.610 5.387 ( -0.290 -2.991 -2.247) 3.752 5.407 ( -5.116 -1.955 -0.097) 5.478 5.477 ( -0.620 -3.916 -6.162) 7.327 5.554 ( -2.007 -2.832 1.736) 3.881 5.601 ( -1.860 -7.908 4.669) 9.370 5.625 ( -0.057 -3.323 1.770) 3.765 5.692 ( 3.318 -3.529 -2.159) 5.303 5.741 ( 0.845 -1.405 -4.304) 4.606 5.970 ( 5.407 2.443 -7.296) 9.404 6.046 ( -5.203 -7.066 0.090) 8.776 6.074 ( 2.593 -1.934 -1.275) 3.477 6.235 ( -0.774 3.230 5.945) 6.810 6.360 ( -1.703 5.196 4.316) 6.966 6.424 ( 0.921 3.716 0.051) 3.829 6.494 ( 1.056 5.133 0.596) 5.274 6.656 ( -0.925 -1.122 1.629) 2.184 6.673 ( -1.358 -0.363 0.638) 1.544 6.697 ( 1.194 -3.103 -0.349) 3.343 6.800 ( -4.037 2.007 -1.228) 4.673 6.873 ( 2.083 4.937 0.256) 5.364 6.897 ( 1.320 5.974 2.998) 6.813 6.979 ( 2.081 0.069 6.469) 6.796 7.015 ( 0.954 2.692 2.888) 4.062 7.121 ( -0.077 -4.763 1.809) 5.095 7.138 ( 3.900 4.122 1.257) 5.812 7.148 ( 0.270 -3.610 5.668) 6.725 7.245 ( -2.811 2.078 -3.518) 4.960 7.311 ( 1.232 -0.538 -2.362) 2.718 7.404 ( -2.482 0.067 -1.372) 2.837 7.454 ( 1.142 3.704 -0.744) 3.946 7.481 ( -0.473 2.580 -0.695) 2.714 7.532 ( -1.073 -4.491 2.485) 5.244 7.627 ( 2.070 -0.750 -1.771) 2.826 7.746 ( 0.750 -2.870 -0.445) 2.999 7.803 ( -7.328 -3.279 1.492) 8.166 7.842 ( -2.048 -1.305 2.196) 3.274 7.857 ( 2.404 -1.822 1.827) 3.527 7.880 ( 2.335 -3.531 -4.962) 6.522 7.995 ( -0.571 2.132 2.020) 2.992 8.009 ( 0.166 -1.015 4.403) 4.522 8.124 ( 2.630 -3.466 -3.698) 5.710 8.236 ( 1.351 2.024 -0.566) 2.498 8.333 ( 3.552 -5.837 2.434) 7.254 8.380 ( 0.737 0.586 -2.596) 2.761 8.410 ( -6.102 -4.946 -0.821) 7.898 8.542 ( 1.473 5.139 -0.058) 5.346 8.612 ( -1.134 0.532 -3.660) 3.869 8.801 ( -0.654 -1.882 1.173) 2.312 8.927 ( 0.556 -3.892 -1.478) 4.200 9.062 ( 0.826 1.642 0.937) 2.063 9.166 ( 3.672 2.538 -7.024) 8.322 9.358 ( 0.507 4.693 3.647) 5.965 9.540 ( 2.428 1.155 -5.819) 6.410 9.701 ( 3.463 -3.405 3.296) 5.869 9.845 ( -3.412 -2.613 -1.497) 4.551 10.419 ( -3.137 9.230 -3.427) 10.334 10.433 ( -2.950 5.151 -3.589) 6.936 10.655 ( -1.109 -0.648 4.018) 4.218 10.779 ( 4.254 1.394 -1.528) 4.730 11.287 ( -4.228 3.839 9.264) 10.883 11.691 ( 2.942 3.549 -10.519) 11.485 12.088 ( -3.320 -0.692 3.117) 4.606 12.366 ( 5.109 -4.992 -6.829) 9.882 12.640 ( -3.149 2.046 5.472) 6.637 12.898 ( 1.684 5.099 -6.199) 8.201 13.239 ( -7.557 -11.848 10.322) 17.437 13.518 ( 2.173 -6.992 -3.724) 8.215 15.412 ( 3.118 2.661 -0.814) 4.179 15.550 ( 3.553 0.982 -7.624) 8.468 16.324 ( -1.263 0.614 0.708) 1.573 16.371 ( -1.424 0.307 -1.472) 2.071 17.061 ( -3.291 -0.583 2.632) 4.254 17.114 ( -1.026 0.147 1.502) 1.824 17.238 ( 2.140 0.281 1.562) 2.664 17.331 ( 0.028 0.910 -2.382) 2.550 17.495 ( -0.887 1.164 2.779) 3.141 17.572 ( 1.474 1.661 -0.889) 2.392 17.646 ( -4.041 -3.631 3.107) 6.259 17.794 ( 1.854 -3.175 -3.136) 4.833 17.960 ( 0.224 0.724 -0.176) 0.778 17.997 ( -0.005 0.828 -1.011) 1.307 18.132 ( -1.107 -2.248 3.002) 3.911 18.255 ( 1.529 -2.207 -3.303) 4.256 18.444 ( -2.364 -2.829 0.626) 3.740 18.520 ( 2.548 -2.035 -2.446) 4.076 18.694 ( -1.145 -6.520 4.960) 8.272 18.838 ( 1.593 -6.111 -2.473) 6.782 20.537 ( -0.107 -1.169 0.966) 1.521 20.564 ( -0.780 -1.510 -0.405) 1.748 20.710 ( 0.235 -1.396 1.757) 2.256 20.763 ( 1.790 -2.871 -0.437) 3.411 21.525 ( -0.528 0.858 1.640) 1.925 21.530 ( -0.706 1.038 1.496) 1.952 21.577 ( 0.495 1.213 -0.674) 1.473 21.632 ( 0.845 1.240 -2.994) 3.349 27.411 ( -1.058 -0.182 0.681) 1.272 27.429 ( -0.024 -0.194 0.116) 0.227 27.455 ( 0.408 0.157 0.067) 0.442 27.478 ( 0.546 0.166 -0.575) 0.811 27.777 ( -0.199 1.441 0.215) 1.470 27.792 ( -0.145 1.786 -0.507) 1.862 27.850 ( -0.100 0.707 1.147) 1.351 27.878 ( 0.049 1.068 -0.242) 1.096 35.263 ( -5.804 1.768 -0.190) 6.071 35.286 ( 5.984 1.656 -0.832) 6.265 35.621 ( -0.091 -1.076 3.785) 3.936 35.715 ( -1.565 -0.386 -0.051) 1.612 36.069 ( -0.489 -1.151 3.021) 3.270 36.182 ( 2.813 1.014 -3.927) 4.935 36.503 ( -2.221 -0.728 8.460) 8.777 36.867 ( 3.719 -2.925 -9.672) 10.767 39.646 ( -4.699 -0.533 5.762) 7.454 39.797 ( -2.307 -3.507 2.264) 4.769 39.910 ( 2.153 -4.951 4.423) 6.979 40.264 ( -3.104 -10.843 -10.261) 15.248 40.664 ( 7.643 7.743 3.787) 11.520 40.876 ( -4.271 14.318 -6.335) 16.229 41.266 ( -4.346 -3.872 10.265) 11.800 41.640 ( 4.006 -1.986 -8.603) 9.696 ======================= Grid point 101 (52/80) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -1.888 8.245 12.040) 14.714 1.862 ( 1.125 12.624 14.165) 19.008 2.026 ( 2.768 10.530 -11.657) 15.950 2.197 ( 5.221 10.930 -12.806) 17.627 2.366 ( -6.414 21.326 4.036) 22.633 2.547 ( -1.659 1.711 -3.343) 4.105 2.629 ( 2.022 0.974 0.166) 2.251 2.722 ( -3.245 2.791 5.195) 6.731 2.840 ( -1.619 -4.715 -0.998) 5.084 2.934 ( 2.079 7.592 -3.790) 8.737 3.027 ( -2.085 -0.394 3.310) 3.932 3.114 ( -2.351 1.662 3.679) 4.672 3.185 ( -1.823 0.250 -2.755) 3.312 3.267 ( -2.213 1.584 4.989) 5.683 3.304 ( 1.002 3.101 -2.581) 4.157 3.371 ( -0.967 0.569 -1.641) 1.988 3.443 ( -0.323 4.844 1.440) 5.064 3.465 ( 0.992 2.917 -1.278) 3.335 3.569 ( 0.278 -2.475 -1.467) 2.890 3.679 ( 1.530 2.291 -2.428) 3.672 3.697 ( 4.623 -1.510 -2.151) 5.318 3.817 ( 5.382 2.160 -4.293) 7.215 3.902 ( 4.527 12.256 14.298) 19.368 4.010 ( -0.420 3.381 -7.423) 8.168 4.108 ( 0.175 0.432 0.630) 0.784 4.132 ( 0.774 1.022 -1.256) 1.795 4.356 ( -1.244 3.337 4.054) 5.397 4.448 ( -0.378 -1.372 -1.598) 2.140 4.505 ( -3.939 5.379 3.312) 7.444 4.634 ( -2.324 6.518 2.261) 7.280 4.657 ( 1.898 1.945 1.144) 2.949 4.676 ( 1.299 3.477 -1.037) 3.854 4.791 ( -2.232 2.499 -1.110) 3.530 4.812 ( -0.666 2.033 1.146) 2.427 4.983 ( -0.460 -3.215 -2.397) 4.037 5.108 ( 5.276 -5.932 -3.564) 8.702 5.295 ( -0.470 -1.585 5.275) 5.528 5.334 ( -0.810 -2.575 2.175) 3.467 5.396 ( 0.592 -0.681 -1.204) 1.505 5.419 ( 0.157 -2.898 -1.216) 3.147 5.499 ( -4.494 -5.520 1.174) 7.214 5.561 ( -4.637 -2.049 3.141) 5.963 5.656 ( 0.588 -6.372 -0.787) 6.447 5.688 ( -4.301 -2.221 -0.808) 4.908 5.720 ( 1.925 -1.282 -3.379) 4.094 5.886 ( -3.066 -7.057 -1.764) 7.894 5.974 ( 2.873 2.614 -5.140) 6.443 6.213 ( 2.982 -0.277 -0.304) 3.010 6.265 ( -1.254 3.130 5.841) 6.744 6.299 ( -3.263 0.576 -0.509) 3.352 6.436 ( -3.987 0.033 2.103) 4.508 6.552 ( 4.401 7.112 -0.739) 8.396 6.624 ( -1.031 1.770 3.948) 4.448 6.674 ( 1.106 1.174 0.403) 1.663 6.768 ( 3.805 -1.771 -1.078) 4.334 6.822 ( 5.171 -3.869 3.842) 7.515 6.902 ( 1.883 3.290 -2.416) 4.495 6.972 ( -1.901 2.399 2.976) 4.269 6.995 ( 1.961 4.108 -1.902) 4.934 7.056 ( 0.603 0.933 1.312) 1.719 7.104 ( 2.081 0.203 0.255) 2.107 7.140 ( -2.302 -2.549 -1.108) 3.609 7.218 ( -2.365 0.624 2.542) 3.528 7.268 ( 0.895 5.030 0.938) 5.195 7.329 ( -1.280 1.860 -0.466) 2.306 7.355 ( 5.450 -1.733 -4.940) 7.557 7.448 ( -1.600 5.984 -0.439) 6.210 7.468 ( -0.622 3.217 -0.762) 3.364 7.508 ( -2.718 -2.526 3.332) 4.987 7.582 ( -3.038 -6.266 0.009) 6.964 7.736 ( -1.694 -1.599 -3.109) 3.885 7.744 ( -0.392 -4.636 0.570) 4.687 7.783 ( -1.054 -1.469 1.920) 2.638 7.857 ( -1.860 -2.410 0.778) 3.142 7.921 ( -1.021 0.747 2.934) 3.195 8.041 ( 5.938 -2.174 -2.166) 6.684 8.081 ( 1.208 1.003 -3.938) 4.240 8.150 ( 3.204 1.567 5.690) 6.716 8.232 ( -4.153 -3.652 -0.729) 5.578 8.295 ( 0.182 -0.444 0.935) 1.051 8.353 ( 0.817 0.149 -8.494) 8.535 8.472 ( 3.033 -2.516 2.736) 4.797 8.544 ( 0.137 -1.018 1.635) 1.931 8.614 ( 2.876 2.392 -1.229) 3.938 8.794 ( 1.167 -3.793 0.977) 4.086 8.921 ( -1.233 -1.709 -0.622) 2.198 8.993 ( -4.803 1.408 -3.321) 6.007 9.188 ( 0.750 -1.513 -2.580) 3.084 9.366 ( -0.150 6.723 1.308) 6.851 9.499 ( 0.004 -0.444 -6.307) 6.323 9.707 ( -4.238 -2.338 -2.261) 5.342 9.865 ( 4.958 -4.714 2.658) 7.339 10.292 ( -3.879 11.645 1.974) 12.432 10.463 ( 2.848 6.248 0.007) 6.866 10.657 ( -2.145 -1.378 2.088) 3.296 10.809 ( 2.173 0.644 -3.756) 4.386 11.303 ( -3.917 3.912 9.419) 10.925 11.648 ( 3.220 3.201 -9.271) 10.323 12.060 ( -3.277 -0.654 4.742) 5.801 12.399 ( 5.424 -7.289 -7.665) 11.887 12.655 ( -2.142 1.926 7.327) 7.873 12.864 ( 1.176 5.180 -4.813) 7.168 13.183 ( -8.174 -9.429 9.879) 15.915 13.531 ( 2.096 -6.914 -2.398) 7.612 15.427 ( 0.227 5.014 -3.516) 6.128 15.531 ( 2.466 -0.726 -6.502) 6.992 16.324 ( -0.460 0.369 2.492) 2.561 16.346 ( 0.001 1.024 -0.047) 1.025 17.020 ( -2.834 0.435 2.422) 3.753 17.125 ( -1.584 -1.430 4.773) 5.228 17.272 ( -0.722 2.110 -1.138) 2.504 17.323 ( 2.682 0.441 -1.767) 3.242 17.464 ( -2.772 0.743 1.584) 3.278 17.593 ( 0.915 0.461 0.362) 1.087 17.635 ( -1.136 -2.804 1.576) 3.411 17.791 ( 0.286 -2.582 -1.377) 2.940 17.980 ( 1.764 1.458 0.084) 2.290 18.010 ( 2.758 -0.799 -1.346) 3.171 18.122 ( -2.490 -2.524 2.111) 4.127 18.230 ( -0.786 -1.606 -2.921) 3.425 18.401 ( -2.844 -2.681 1.813) 4.308 18.538 ( 1.845 -1.153 -2.632) 3.415 18.717 ( -0.916 -6.869 3.613) 7.815 18.855 ( 2.374 -6.941 -2.970) 7.914 20.546 ( -0.314 -1.188 0.539) 1.342 20.551 ( -0.101 -1.428 0.580) 1.544 20.716 ( -0.800 -1.251 0.366) 1.530 20.763 ( -0.478 -2.488 -1.752) 3.080 21.525 ( -1.301 1.422 1.995) 2.774 21.534 ( -0.275 0.714 1.005) 1.264 21.579 ( 0.449 1.136 -0.905) 1.520 21.607 ( -0.278 1.510 -2.266) 2.737 27.388 ( -1.634 0.511 0.925) 1.946 27.441 ( 0.675 -0.461 -0.114) 0.826 27.453 ( 0.116 0.303 -0.124) 0.347 27.493 ( 0.885 -0.800 -0.374) 1.250 27.775 ( -0.175 1.366 0.307) 1.411 27.787 ( -0.070 1.608 0.002) 1.610 27.855 ( -0.417 0.988 0.816) 1.348 27.871 ( -0.368 1.169 -0.455) 1.307 35.219 ( 0.955 1.698 1.008) 2.193 35.463 ( 12.274 -0.121 -1.884) 12.418 35.586 ( -4.790 -0.888 1.657) 5.146 35.758 ( 3.585 0.119 1.270) 3.805 36.065 ( -2.110 -1.146 0.271) 2.416 36.178 ( 1.021 1.118 -3.851) 4.138 36.513 ( -5.522 -2.023 8.213) 10.101 36.847 ( 4.341 -2.378 -8.999) 10.271 39.629 ( -3.717 0.319 7.293) 8.192 39.773 ( -1.875 -2.229 1.928) 3.492 40.012 ( 1.409 -8.896 6.440) 11.072 40.118 ( -1.840 -8.508 -7.855) 11.725 40.651 ( -3.534 14.830 -3.199) 15.578 40.960 ( 10.758 6.366 -0.716) 12.521 41.235 ( -7.953 -3.365 8.314) 11.987 41.644 ( 4.519 -2.112 -7.084) 8.664 ======================= Grid point 102 (53/80) ======================= q-point: (-0.60 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -12.381 6.772 4.033) 14.677 1.867 ( -3.408 8.597 -1.759) 9.413 2.050 ( 2.170 11.493 -3.596) 12.236 2.158 ( 4.673 12.582 -11.714) 17.815 2.382 ( 1.497 21.064 10.935) 23.781 2.534 ( 2.913 3.870 2.038) 5.255 2.683 ( 2.174 -0.080 1.223) 2.495 2.719 ( -3.603 1.316 7.109) 8.078 2.806 ( 0.428 -6.685 -1.831) 6.944 2.926 ( 2.831 10.142 -5.142) 11.718 2.978 ( -4.772 4.129 -2.684) 6.858 3.084 ( -3.660 -2.198 1.990) 4.710 3.149 ( -1.176 2.985 3.182) 4.519 3.262 ( -0.091 0.954 -0.043) 0.959 3.339 ( 1.487 1.036 -1.616) 2.428 3.353 ( 0.260 -1.512 -0.631) 1.659 3.427 ( -0.880 0.946 1.848) 2.255 3.467 ( 0.856 3.912 -1.803) 4.392 3.543 ( -0.790 -1.943 -1.129) 2.382 3.658 ( 0.127 2.514 -4.795) 5.416 3.769 ( 3.134 -4.170 -5.315) 7.447 3.837 ( 4.420 5.249 -1.204) 6.967 3.902 ( -3.028 0.643 -7.292) 7.922 4.031 ( -6.797 8.513 5.213) 12.076 4.140 ( 2.002 1.124 2.277) 3.233 4.200 ( 3.670 4.094 0.714) 5.544 4.349 ( -0.171 0.564 3.425) 3.475 4.449 ( -4.963 7.855 2.903) 9.734 4.497 ( 2.483 -3.047 3.056) 4.979 4.619 ( -0.901 10.814 1.609) 10.970 4.665 ( -0.617 6.700 2.318) 7.116 4.719 ( 3.810 0.994 -0.714) 4.002 4.779 ( 1.881 -0.532 -0.059) 1.955 4.811 ( -2.328 1.574 3.483) 4.475 4.961 ( 0.846 -4.641 -2.289) 5.243 5.140 ( 2.184 -5.831 -6.131) 8.739 5.275 ( -4.976 -4.234 -0.155) 6.535 5.323 ( -0.938 -3.723 -1.128) 4.002 5.387 ( 0.521 -0.867 1.378) 1.709 5.425 ( -1.447 2.043 2.988) 3.899 5.493 ( -0.358 -5.826 2.169) 6.227 5.539 ( -1.058 2.185 6.417) 6.861 5.616 ( 1.519 -1.687 -2.616) 3.464 5.677 ( 3.337 -4.711 -0.858) 5.837 5.718 ( 0.819 0.231 -3.302) 3.410 5.900 ( 2.065 -6.031 4.085) 7.572 5.960 ( 0.814 0.928 -5.708) 5.840 6.160 ( -3.285 0.700 -2.419) 4.139 6.265 ( -1.408 -0.365 0.676) 1.604 6.315 ( -0.426 0.278 5.550) 5.573 6.392 ( -1.375 0.830 2.116) 2.657 6.570 ( -0.436 -0.038 -2.363) 2.403 6.677 ( -2.056 6.204 4.733) 8.069 6.708 ( 2.428 -0.673 0.038) 2.519 6.771 ( -5.748 0.330 1.868) 6.053 6.860 ( 1.725 0.350 1.248) 2.158 6.972 ( 1.823 1.070 -4.673) 5.128 6.986 ( 2.642 1.697 -2.383) 3.941 7.034 ( 0.743 -0.370 1.216) 1.473 7.078 ( 3.033 -0.527 -0.878) 3.201 7.109 ( 1.771 -1.079 -2.896) 3.562 7.145 ( -4.683 2.143 -1.261) 5.302 7.162 ( -4.354 3.006 0.121) 5.292 7.180 ( 3.069 3.893 1.361) 5.140 7.290 ( -4.220 2.020 1.447) 4.897 7.368 ( -3.076 1.280 2.378) 4.093 7.400 ( -1.495 -0.337 -0.890) 1.772 7.495 ( 2.996 1.859 -3.406) 4.902 7.532 ( 1.634 -0.786 1.424) 2.305 7.574 ( 0.106 -1.581 2.693) 3.125 7.697 ( 1.063 -4.341 -3.027) 5.398 7.723 ( 3.706 2.215 -5.047) 6.641 7.783 ( -1.913 -2.132 -1.356) 3.169 7.857 ( -0.137 1.855 1.581) 2.441 7.945 ( -0.008 -0.827 5.832) 5.890 8.009 ( -4.509 3.429 -2.114) 6.047 8.089 ( -0.197 -6.821 -0.710) 6.860 8.197 ( 1.040 -3.797 0.554) 3.975 8.250 ( 1.379 -2.309 -4.579) 5.310 8.258 ( 0.571 -0.674 -1.061) 1.380 8.339 ( 2.167 1.895 0.623) 2.945 8.528 ( -0.783 0.167 2.543) 2.666 8.605 ( 4.415 -0.620 1.821) 4.816 8.648 ( 1.298 -2.312 0.106) 2.654 8.817 ( -2.198 3.967 -1.845) 4.896 8.860 ( -3.484 -6.379 -4.687) 8.648 8.902 ( 1.299 1.735 2.102) 3.019 9.140 ( -0.994 -0.936 -2.777) 3.094 9.377 ( -1.734 5.247 0.771) 5.579 9.468 ( 3.686 0.536 -5.724) 6.829 9.658 ( 0.755 -3.054 1.548) 3.506 9.923 ( -0.091 -5.713 -1.261) 5.851 10.307 ( 1.375 11.545 5.183) 12.730 10.524 ( 1.765 4.104 2.625) 5.182 10.611 ( -3.170 -0.239 -0.811) 3.280 10.795 ( 1.046 -0.381 -4.967) 5.090 11.316 ( -4.796 4.206 9.055) 11.076 11.638 ( 4.740 2.799 -7.573) 9.363 12.065 ( -1.722 -0.858 5.685) 6.002 12.407 ( 4.196 -8.092 -9.165) 12.926 12.694 ( -1.322 1.051 6.178) 6.405 12.867 ( 3.028 4.743 -2.772) 6.273 13.144 ( -7.262 -7.569 12.723) 16.489 13.541 ( 1.411 -7.081 -2.464) 7.629 15.397 ( 2.334 6.483 -4.769) 8.380 15.500 ( 0.283 0.429 -5.778) 5.801 16.350 ( -0.100 0.565 3.371) 3.419 16.368 ( 1.126 1.374 1.486) 2.316 17.017 ( -0.598 1.285 3.715) 3.976 17.135 ( -3.523 -1.765 6.114) 7.273 17.222 ( -1.057 3.408 -1.880) 4.033 17.367 ( 2.292 -1.087 -1.713) 3.061 17.457 ( 0.606 -0.225 1.001) 1.191 17.586 ( -1.453 -1.170 -3.766) 4.203 17.628 ( -0.252 -1.530 3.376) 3.715 17.772 ( -1.332 -0.932 -0.202) 1.638 18.020 ( 1.652 0.743 0.218) 1.825 18.056 ( 1.192 -0.756 -0.191) 1.425 18.107 ( 1.501 -2.930 -0.108) 3.294 18.172 ( -2.005 -0.748 -2.561) 3.338 18.391 ( -0.569 -3.619 3.262) 4.906 18.543 ( 1.184 -1.891 -2.176) 3.117 18.722 ( -2.001 -6.557 2.564) 7.320 18.849 ( 0.908 -6.809 -4.346) 8.129 20.544 ( -0.198 -0.328 0.744) 0.837 20.565 ( 0.099 -1.801 1.248) 2.194 20.690 ( -0.970 -0.325 -1.430) 1.758 20.722 ( -1.370 -1.399 -2.172) 2.925 21.519 ( -1.286 1.430 1.863) 2.678 21.536 ( -0.541 0.727 0.895) 1.274 21.577 ( 0.509 1.046 -1.367) 1.795 21.587 ( 0.435 1.659 -1.501) 2.279 27.377 ( -0.669 0.789 1.368) 1.715 27.443 ( 0.528 -0.036 -1.229) 1.338 27.465 ( 0.406 -0.559 0.661) 0.956 27.496 ( -0.162 -0.879 -0.274) 0.935 27.779 ( 0.097 1.206 0.456) 1.293 27.788 ( -0.000 1.344 0.321) 1.382 27.848 ( -0.983 1.167 0.439) 1.588 27.862 ( 0.177 1.344 -0.485) 1.440 35.293 ( 3.766 1.263 2.664) 4.783 35.496 ( -5.227 -1.824 0.464) 5.555 35.673 ( 10.391 -0.035 -1.967) 10.576 35.839 ( 3.643 -0.614 0.145) 3.697 35.983 ( -5.647 -0.081 -1.054) 5.745 36.156 ( 0.944 1.786 -4.104) 4.574 36.474 ( -7.017 -3.260 9.074) 11.925 36.846 ( 4.883 -3.036 -9.216) 10.863 39.655 ( -2.151 1.169 8.874) 9.205 39.773 ( -1.072 -1.163 3.887) 4.197 39.994 ( -5.436 -8.020 -0.995) 9.740 40.078 ( 3.824 -7.768 -5.568) 10.294 40.655 ( 4.555 12.118 2.466) 13.178 41.010 ( -4.239 2.923 -3.926) 6.475 41.251 ( 1.388 -3.072 9.222) 9.819 41.652 ( 3.284 -2.724 -6.872) 8.089 ======================= Grid point 103 (54/80) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -11.532 16.070 9.249) 21.835 1.750 ( -11.700 12.673 6.829) 18.551 1.993 ( 4.844 10.519 -11.716) 16.474 2.224 ( 10.034 12.871 -6.425) 17.540 2.545 ( 0.115 18.580 9.134) 20.704 2.601 ( -3.502 1.279 4.667) 5.973 2.719 ( -0.079 -2.250 2.364) 3.265 2.743 ( 3.993 1.309 -1.580) 4.489 2.795 ( -2.174 0.455 -5.642) 6.064 2.877 ( 0.736 4.178 3.213) 5.322 2.928 ( 1.669 7.744 -3.051) 8.489 3.027 ( -1.566 -0.614 -1.863) 2.510 3.180 ( -0.878 2.308 5.188) 5.745 3.251 ( -1.877 -0.467 1.265) 2.311 3.300 ( -1.556 1.955 -2.699) 3.678 3.348 ( -0.239 -3.369 -0.303) 3.391 3.453 ( -0.232 2.975 0.188) 2.990 3.473 ( 1.671 -0.221 -0.656) 1.808 3.532 ( 1.997 0.200 -2.011) 2.841 3.617 ( 0.613 1.393 -2.232) 2.702 3.737 ( -2.239 -1.158 -3.234) 4.100 3.769 ( -2.493 3.193 -1.889) 4.470 3.892 ( -3.995 3.314 -1.940) 5.541 3.998 ( 7.021 3.114 2.971) 8.235 4.181 ( -1.749 1.410 0.511) 2.304 4.227 ( 1.422 2.689 -0.999) 3.202 4.347 ( -6.393 6.338 3.766) 9.758 4.386 ( -2.237 -1.301 3.901) 4.681 4.541 ( -5.070 3.245 3.729) 7.081 4.603 ( 4.057 1.141 -0.457) 4.239 4.740 ( 3.261 4.527 -1.798) 5.862 4.762 ( -0.961 3.501 1.671) 3.996 4.782 ( -1.576 5.176 1.088) 5.519 4.856 ( 4.369 -0.090 0.537) 4.403 4.971 ( 1.650 -3.377 -1.158) 3.933 5.077 ( -1.377 -6.969 -4.146) 8.225 5.182 ( -3.262 -5.829 0.534) 6.701 5.326 ( 1.670 -6.330 1.213) 6.658 5.433 ( 1.306 -2.053 2.662) 3.607 5.446 ( 0.411 0.212 -1.920) 1.975 5.525 ( 3.357 -0.733 2.371) 4.175 5.581 ( 1.616 4.789 0.472) 5.076 5.640 ( 3.351 -0.483 -3.031) 4.544 5.713 ( 0.468 -2.382 0.610) 2.503 5.771 ( 3.870 -2.325 -0.409) 4.533 5.874 ( -1.781 1.500 -5.100) 5.607 6.015 ( 4.556 -5.599 3.813) 8.164 6.072 ( -1.972 -1.602 -3.030) 3.954 6.253 ( -4.836 1.824 2.465) 5.727 6.376 ( -1.423 2.089 2.521) 3.570 6.388 ( 4.081 -0.347 2.943) 5.043 6.524 ( -2.514 -1.542 -0.662) 3.023 6.636 ( -3.334 0.729 1.109) 3.588 6.720 ( -0.177 4.336 4.057) 5.941 6.752 ( -3.604 2.101 1.165) 4.332 6.855 ( -3.417 3.176 1.859) 5.021 6.899 ( -2.262 -3.636 -3.811) 5.732 6.948 ( -5.658 0.205 0.698) 5.705 6.975 ( -1.405 -1.111 -1.538) 2.361 7.017 ( -6.592 4.400 0.044) 7.925 7.057 ( -0.525 3.430 -2.069) 4.040 7.118 ( -2.717 -1.891 2.323) 4.044 7.199 ( 1.229 4.399 3.658) 5.852 7.252 ( 4.197 -0.202 -3.726) 5.616 7.307 ( -0.950 1.645 4.242) 4.648 7.347 ( 1.388 -1.197 1.326) 2.262 7.409 ( 5.191 1.690 -1.843) 5.762 7.510 ( 1.087 0.873 -0.727) 1.572 7.559 ( 3.073 -1.643 -5.618) 6.611 7.626 ( 0.108 -2.264 2.409) 3.308 7.711 ( -1.290 3.329 -1.654) 3.935 7.720 ( 2.480 -0.944 -0.007) 2.654 7.754 ( 2.966 2.717 -4.283) 5.876 7.823 ( -1.821 -0.262 -1.865) 2.620 7.893 ( -5.862 0.755 3.653) 6.948 8.021 ( 2.071 -4.599 1.370) 5.226 8.083 ( -1.545 -5.249 1.621) 5.707 8.208 ( -0.894 -4.494 -2.995) 5.474 8.256 ( 4.950 -5.563 -4.027) 8.466 8.279 ( 1.241 -1.790 1.176) 2.476 8.351 ( -1.428 6.519 3.209) 7.406 8.505 ( -1.625 -1.020 -1.375) 2.360 8.655 ( -2.528 -2.948 -0.183) 3.888 8.684 ( 0.335 0.909 -2.014) 2.235 8.734 ( -0.474 -0.001 1.077) 1.176 8.840 ( 4.198 -1.272 -0.847) 4.468 8.944 ( -0.315 2.166 2.661) 3.445 9.121 ( 3.444 -1.308 -5.830) 6.896 9.344 ( -1.465 6.199 -0.439) 6.385 9.482 ( 3.706 0.188 -4.450) 5.794 9.735 ( 0.133 -2.466 4.755) 5.358 9.866 ( -0.705 -4.525 -3.876) 6.000 10.441 ( 5.813 9.252 6.792) 12.865 10.513 ( -2.003 3.578 -4.047) 5.761 10.594 ( 0.313 1.398 4.023) 4.270 10.749 ( -0.299 -1.787 -6.401) 6.652 11.300 ( -5.680 4.249 8.525) 11.090 11.678 ( 6.710 2.891 -7.129) 10.208 12.093 ( -1.375 -1.207 5.021) 5.344 12.383 ( 3.278 -6.470 -9.358) 11.839 12.708 ( -2.567 0.766 3.342) 4.283 12.899 ( 3.617 4.189 -4.626) 7.213 13.176 ( -5.051 -8.953 16.704) 19.614 13.536 ( 1.442 -7.126 -3.880) 8.241 15.416 ( 0.585 3.421 -4.516) 5.695 15.452 ( 4.559 4.613 -5.437) 8.463 16.369 ( -1.041 0.468 2.016) 2.316 16.404 ( 0.821 1.457 1.218) 2.069 17.063 ( 0.068 1.436 4.662) 4.878 17.120 ( -1.455 0.169 2.655) 3.032 17.199 ( -1.998 1.312 1.175) 2.664 17.381 ( 1.902 -0.877 -2.151) 3.002 17.461 ( -2.541 -0.275 0.195) 2.563 17.530 ( 0.735 -1.529 -1.662) 2.375 17.679 ( 1.450 -1.091 3.404) 3.857 17.755 ( 0.702 -1.591 -1.503) 2.299 18.021 ( -1.582 -0.553 0.188) 1.686 18.049 ( -1.385 1.614 -0.135) 2.131 18.107 ( -0.720 -1.584 -0.596) 1.839 18.182 ( 4.691 -2.388 -2.573) 5.860 18.440 ( 1.166 -4.448 4.049) 6.127 18.528 ( -0.184 -3.860 -3.078) 4.940 18.693 ( -3.272 -5.485 2.453) 6.842 18.826 ( 1.287 -5.467 -3.108) 6.419 20.548 ( -0.907 -0.396 1.288) 1.624 20.579 ( 0.480 -1.458 0.816) 1.738 20.670 ( 0.314 -0.094 -1.053) 1.102 20.682 ( -0.256 -0.419 -1.213) 1.308 21.515 ( -0.903 1.127 1.676) 2.212 21.533 ( -0.767 0.789 1.023) 1.503 21.572 ( 0.471 1.243 -1.054) 1.696 21.597 ( 2.096 1.589 -1.724) 3.145 27.387 ( 0.114 0.479 1.496) 1.575 27.439 ( 0.560 0.186 -1.676) 1.777 27.469 ( -0.921 -0.939 0.682) 1.482 27.489 ( -0.124 -0.281 -0.079) 0.317 27.781 ( -0.255 1.218 0.327) 1.287 27.798 ( 0.641 1.262 0.047) 1.416 27.833 ( -0.873 1.069 0.670) 1.534 27.866 ( 0.568 1.315 -0.335) 1.471 35.331 ( -4.811 0.458 2.671) 5.522 35.460 ( 3.147 -1.180 0.260) 3.371 35.708 ( -6.855 -1.335 -4.041) 8.068 35.845 ( -0.901 -1.125 -1.869) 2.360 35.955 ( 2.845 1.263 3.392) 4.604 36.140 ( 2.153 1.991 -4.296) 5.201 36.438 ( -6.250 -3.016 9.771) 11.985 36.856 ( 6.074 -3.655 -9.496) 11.851 39.709 ( -2.566 0.776 9.886) 10.243 39.781 ( -3.863 -1.330 4.195) 5.855 39.899 ( -1.192 -5.055 -2.218) 5.647 40.121 ( 8.415 -5.217 -6.749) 11.982 40.783 ( -1.746 5.537 2.212) 6.213 40.876 ( 0.546 3.145 -1.034) 3.355 41.330 ( -3.620 -3.873 6.850) 8.662 41.641 ( 4.086 -2.564 -8.194) 9.508 ======================= Grid point 104 (55/80) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -3.259 19.450 16.310) 25.592 1.625 ( -10.485 18.481 14.969) 25.991 2.039 ( 8.759 6.312 -7.629) 13.220 2.333 ( 4.876 10.794 -7.810) 14.188 2.451 ( -10.337 25.573 9.325) 29.117 2.594 ( -2.120 2.195 -2.011) 3.655 2.638 ( -0.833 0.517 -2.266) 2.469 2.776 ( 0.125 0.630 -1.725) 1.841 2.800 ( 4.251 9.711 -7.305) 12.874 2.913 ( 2.636 -4.018 -0.384) 4.820 2.964 ( 2.138 3.627 1.303) 4.407 3.105 ( 6.016 0.159 5.065) 7.866 3.174 ( -2.934 0.495 1.731) 3.442 3.234 ( -1.936 -3.577 3.730) 5.519 3.249 ( -0.927 -1.404 -0.094) 1.685 3.366 ( 0.720 1.556 0.316) 1.743 3.443 ( -0.974 4.242 1.780) 4.702 3.480 ( -0.340 2.077 -2.394) 3.188 3.558 ( 2.756 0.537 -2.041) 3.472 3.639 ( 1.853 1.308 -1.149) 2.543 3.680 ( -1.698 3.329 0.362) 3.754 3.725 ( -1.274 3.810 -0.631) 4.067 3.824 ( -1.003 1.851 -2.082) 2.961 4.117 ( -2.732 -0.470 0.681) 2.854 4.149 ( 2.960 1.721 1.099) 3.596 4.216 ( -1.150 2.510 -1.290) 3.047 4.291 ( -2.428 5.425 2.746) 6.547 4.403 ( -0.916 -2.101 6.872) 7.244 4.499 ( -2.383 2.413 4.616) 5.728 4.628 ( -0.655 -2.401 -5.089) 5.665 4.680 ( -5.291 3.016 2.539) 6.598 4.741 ( 1.435 6.075 -3.959) 7.392 4.812 ( 0.244 2.717 -0.475) 2.769 4.923 ( 3.048 4.920 -2.864) 6.457 4.983 ( 0.796 -1.407 -0.066) 1.618 5.039 ( 1.547 -8.015 -3.641) 8.938 5.178 ( -1.166 -3.527 5.902) 6.973 5.406 ( 2.124 -6.563 -0.748) 6.939 5.434 ( 1.850 -5.562 3.601) 6.879 5.464 ( -0.023 2.699 0.546) 2.754 5.589 ( 2.201 -1.099 -3.180) 4.021 5.597 ( 0.212 -0.791 -1.411) 1.632 5.672 ( -5.683 -4.255 0.962) 7.164 5.703 ( 2.894 -3.241 -4.711) 6.409 5.734 ( 1.001 -1.108 -4.104) 4.368 5.881 ( 5.243 3.583 -3.126) 7.078 6.032 ( 1.621 -1.218 -4.354) 4.803 6.142 ( 3.995 -1.283 4.298) 6.006 6.189 ( -3.409 -4.334 1.132) 5.629 6.369 ( -4.083 5.009 4.793) 8.045 6.448 ( -2.006 0.061 -0.472) 2.062 6.485 ( -0.572 1.978 0.827) 2.219 6.603 ( 0.402 -0.082 1.998) 2.040 6.678 ( -1.197 -1.717 0.117) 2.096 6.758 ( -2.741 4.021 1.909) 5.227 6.807 ( -1.116 3.092 3.849) 5.062 6.879 ( 0.186 2.242 4.492) 5.024 6.901 ( -3.265 -0.191 3.563) 4.836 6.914 ( -4.885 5.865 1.637) 7.807 6.979 ( 1.702 -2.690 0.428) 3.212 7.026 ( 0.316 3.790 -1.316) 4.025 7.082 ( -1.589 -4.298 3.624) 5.842 7.216 ( -3.415 2.891 1.695) 4.785 7.263 ( 0.318 -1.761 -0.327) 1.819 7.344 ( 2.207 1.644 -2.183) 3.513 7.407 ( 1.831 1.597 2.014) 3.156 7.449 ( 1.277 0.352 -3.487) 3.730 7.504 ( 0.547 0.573 -3.608) 3.694 7.547 ( -2.225 1.371 2.319) 3.494 7.600 ( -0.443 -1.298 -1.712) 2.194 7.693 ( 1.486 -0.790 -0.269) 1.704 7.763 ( 1.303 0.801 4.527) 4.779 7.798 ( 2.830 -2.336 0.549) 3.710 7.856 ( 5.944 1.642 -1.884) 6.448 7.926 ( 2.371 0.764 4.649) 5.274 7.978 ( -6.153 -7.629 -1.911) 9.985 8.089 ( -1.035 -0.431 -1.964) 2.261 8.104 ( -3.163 -7.922 -2.591) 8.915 8.224 ( 0.142 -4.362 -2.289) 4.928 8.302 ( -0.840 -2.297 0.701) 2.544 8.421 ( -1.842 2.845 -0.108) 3.391 8.474 ( 3.965 4.127 0.165) 5.726 8.550 ( -6.771 -3.174 0.477) 7.493 8.663 ( 0.736 0.819 -3.412) 3.586 8.770 ( 1.642 -2.707 0.238) 3.175 8.941 ( -0.582 -1.886 2.248) 2.991 8.965 ( 6.420 2.278 -0.490) 6.829 9.151 ( 4.244 1.892 -3.544) 5.844 9.319 ( -0.330 6.339 0.029) 6.348 9.524 ( 4.357 0.720 -4.155) 6.063 9.687 ( -2.441 -4.987 -1.983) 5.896 9.878 ( -0.066 -1.105 1.727) 2.051 10.442 ( 0.116 6.807 -4.820) 8.341 10.602 ( -0.519 0.845 0.132) 1.000 10.628 ( -1.202 0.203 1.325) 1.801 10.678 ( 3.596 3.701 -0.356) 5.172 11.283 ( -5.004 3.951 8.914) 10.960 11.719 ( 5.140 3.101 -9.012) 10.828 12.106 ( -1.664 -0.848 3.165) 3.675 12.357 ( 3.501 -4.493 -8.118) 9.917 12.669 ( -4.094 1.540 3.058) 5.337 12.911 ( 3.031 4.505 -5.569) 7.778 13.241 ( -4.994 -11.640 13.550) 18.548 13.524 ( 1.734 -7.267 -4.464) 8.703 15.377 ( 1.798 3.152 -3.617) 5.123 15.522 ( 5.849 3.200 -4.793) 8.211 16.351 ( -1.788 0.730 0.336) 1.960 16.408 ( -0.776 0.392 -0.734) 1.138 17.076 ( -1.317 0.701 2.075) 2.556 17.140 ( -2.854 -0.453 3.597) 4.614 17.183 ( 1.727 1.222 0.506) 2.175 17.365 ( -0.732 -0.046 -3.072) 3.158 17.454 ( 1.041 0.179 2.559) 2.769 17.548 ( 1.342 -0.545 -0.002) 1.449 17.705 ( -3.072 -2.260 2.470) 4.544 17.772 ( 3.014 -1.895 -2.170) 4.170 17.982 ( -1.851 -0.864 -0.635) 2.139 18.017 ( -1.105 1.733 -0.540) 2.125 18.112 ( 0.062 -1.091 2.031) 2.306 18.235 ( 3.745 -2.475 -3.149) 5.483 18.469 ( -0.641 -3.997 -0.187) 4.053 18.506 ( 1.143 -3.560 -1.713) 4.113 18.672 ( -2.294 -5.682 4.850) 7.815 18.835 ( 1.732 -5.455 -2.204) 6.133 20.537 ( -0.805 -0.606 0.659) 1.204 20.583 ( -0.621 -1.723 -0.238) 1.847 20.680 ( 0.755 -1.001 1.584) 2.021 20.711 ( 2.907 -0.916 0.311) 3.063 21.518 ( -0.492 0.808 1.492) 1.767 21.530 ( -0.797 0.955 1.441) 1.904 21.574 ( 0.573 1.286 -0.749) 1.595 21.625 ( 2.631 1.347 -2.499) 3.870 27.405 ( 0.267 0.038 1.054) 1.088 27.436 ( 0.827 0.320 -1.251) 1.534 27.451 ( -1.238 -0.493 0.472) 1.413 27.485 ( -0.453 0.140 -0.007) 0.474 27.779 ( -0.197 1.390 0.146) 1.412 27.800 ( -0.036 1.679 -0.643) 1.798 27.837 ( 0.068 0.590 1.271) 1.402 27.874 ( 0.458 1.181 -0.126) 1.273 35.255 ( -2.641 0.763 0.272) 2.763 35.460 ( -11.021 1.889 -3.588) 11.744 35.550 ( 2.416 -2.237 3.069) 4.501 35.784 ( -4.633 0.294 0.805) 4.711 36.035 ( 1.132 -0.867 2.969) 3.293 36.154 ( 3.439 0.955 -3.547) 5.032 36.452 ( -2.053 -0.658 8.550) 8.818 36.877 ( 5.354 -3.713 -9.210) 11.282 39.694 ( -5.890 -0.117 5.013) 7.736 39.782 ( -1.438 -3.116 7.117) 7.901 39.879 ( 0.664 -3.625 -2.422) 4.410 40.275 ( 11.687 -8.257 -5.224) 15.233 40.622 ( -6.838 5.100 -2.844) 8.992 40.978 ( 1.525 9.868 0.269) 9.989 41.264 ( -7.145 -4.816 6.790) 10.971 41.647 ( 4.242 -2.386 -7.774) 9.172 ======================= Grid point 105 (56/80) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -3.961 16.175 10.101) 19.477 2.014 ( -2.369 16.283 11.876) 20.293 2.274 ( 4.284 7.434 -5.200) 10.033 2.369 ( -4.656 3.423 -0.702) 5.821 2.496 ( 1.013 -6.689 -1.676) 6.970 2.584 ( 3.217 -1.328 -3.809) 5.160 2.618 ( 1.029 -2.359 -1.908) 3.204 2.788 ( 0.751 -2.900 -4.874) 5.721 2.918 ( -1.980 -1.044 2.434) 3.307 3.035 ( 1.438 1.597 1.352) 2.539 3.095 ( -1.150 5.384 -0.737) 5.555 3.174 ( 2.128 10.021 -2.568) 10.562 3.218 ( -0.216 -0.729 1.733) 1.893 3.237 ( -3.601 6.992 3.830) 8.748 3.336 ( 2.768 2.620 3.105) 4.916 3.428 ( 0.871 0.686 2.798) 3.010 3.497 ( -0.555 -2.256 -1.205) 2.617 3.554 ( 0.646 3.825 0.359) 3.896 3.597 ( 2.545 4.804 -3.501) 6.467 3.666 ( -0.153 1.168 -4.929) 5.068 3.753 ( -1.752 5.428 0.842) 5.766 3.838 ( 2.949 7.358 -1.478) 8.063 3.932 ( 3.517 7.706 5.429) 10.061 4.058 ( 0.593 -2.855 1.819) 3.437 4.123 ( -0.955 -4.351 -3.045) 5.396 4.179 ( -3.867 1.107 -2.230) 4.599 4.345 ( 0.089 -1.779 4.198) 4.560 4.409 ( -0.478 -4.741 1.434) 4.976 4.589 ( 1.208 2.619 5.545) 6.250 4.594 ( 2.185 4.095 3.329) 5.712 4.687 ( -2.630 1.835 4.291) 5.357 4.780 ( 0.557 -0.549 0.574) 0.970 4.839 ( 1.070 0.327 0.800) 1.375 4.897 ( -0.587 -3.487 -3.397) 4.903 5.002 ( -0.375 2.651 -2.678) 3.787 5.077 ( -1.115 8.566 -5.615) 10.303 5.192 ( 0.175 -2.238 7.841) 8.156 5.313 ( -0.711 -4.517 -2.991) 5.464 5.335 ( -5.083 -4.980 -1.613) 7.297 5.400 ( 1.437 -6.622 5.767) 8.898 5.441 ( -1.945 -2.029 -1.636) 3.252 5.500 ( -1.826 -1.595 -4.193) 4.844 5.596 ( 0.701 0.685 -5.346) 5.435 5.698 ( -0.846 2.452 3.071) 4.020 5.720 ( -0.122 -1.452 -3.903) 4.166 5.874 ( -6.059 -7.796 1.276) 9.955 6.015 ( 6.224 1.747 -6.301) 9.027 6.058 ( 4.600 -0.329 -2.655) 5.321 6.312 ( 1.822 4.300 4.634) 6.579 6.461 ( -2.957 2.359 4.198) 5.650 6.492 ( -0.987 4.482 1.574) 4.852 6.569 ( -3.469 -5.286 -0.560) 6.348 6.604 ( 0.570 -3.470 -0.079) 3.517 6.639 ( 4.322 6.158 0.310) 7.530 6.701 ( -1.750 1.480 0.816) 2.433 6.757 ( -0.277 -2.595 1.677) 3.102 6.945 ( 2.242 0.749 2.162) 3.203 6.974 ( -1.726 0.799 6.264) 6.547 7.007 ( 3.136 -0.864 1.319) 3.510 7.037 ( 0.667 -0.856 1.557) 1.898 7.088 ( -2.579 0.715 4.917) 5.598 7.134 ( 4.496 1.930 -0.880) 4.971 7.187 ( -0.332 3.879 -1.170) 4.065 7.307 ( -2.165 2.343 -1.121) 3.381 7.341 ( -0.620 3.567 1.153) 3.799 7.393 ( -0.748 -0.854 3.712) 3.881 7.463 ( -1.386 -0.862 -1.471) 2.197 7.495 ( -0.237 0.039 1.716) 1.733 7.540 ( -0.426 1.539 -2.013) 2.569 7.617 ( -1.303 -0.980 -3.081) 3.486 7.667 ( 0.618 -4.031 -1.614) 4.386 7.704 ( 0.179 -4.946 -3.349) 5.976 7.787 ( 0.113 -1.369 1.675) 2.167 7.856 ( 2.893 0.863 -0.839) 3.133 7.892 ( 0.574 2.151 -2.435) 3.299 7.913 ( 1.877 -4.574 -1.782) 5.256 8.041 ( 2.121 0.193 3.240) 3.877 8.083 ( 1.364 -1.243 0.993) 2.095 8.211 ( 2.303 -3.908 1.985) 4.951 8.261 ( -1.453 -3.585 2.606) 4.665 8.326 ( -5.079 1.212 0.367) 5.234 8.401 ( -1.256 -0.101 0.937) 1.571 8.615 ( -2.052 2.511 -1.843) 3.730 8.651 ( 1.674 2.274 -2.503) 3.774 8.786 ( 2.309 0.081 -0.227) 2.322 8.865 ( -0.902 -2.535 -2.175) 3.460 9.101 ( 1.269 2.083 0.016) 2.439 9.182 ( -0.203 -0.895 -4.435) 4.529 9.459 ( 1.770 5.122 0.317) 5.429 9.574 ( 1.233 2.398 -3.257) 4.228 9.632 ( 4.985 -2.816 1.754) 5.988 9.781 ( -3.909 -4.074 -3.586) 6.689 10.508 ( -2.107 2.882 1.160) 3.753 10.570 ( -1.500 3.648 0.048) 3.944 10.656 ( -0.874 1.920 1.175) 2.415 10.781 ( 2.916 -1.164 -2.610) 4.083 11.392 ( -3.811 6.509 8.222) 11.157 11.675 ( -0.153 -4.680 -2.423) 5.272 12.108 ( 0.982 2.556 -5.633) 6.263 12.263 ( 4.272 -4.797 -8.718) 10.829 12.719 ( -4.717 5.416 7.838) 10.631 12.992 ( -4.634 -1.634 3.473) 6.017 13.056 ( 0.799 -0.573 -0.358) 1.046 13.358 ( 3.713 -8.422 -6.344) 11.178 15.468 ( 2.049 2.895 -0.353) 3.565 15.557 ( 1.596 -0.632 -4.469) 4.788 16.333 ( -1.156 0.482 0.189) 1.266 16.366 ( -0.763 -0.715 -1.477) 1.810 17.073 ( -3.441 1.607 3.421) 5.112 17.127 ( -2.881 0.417 3.097) 4.250 17.257 ( 2.492 1.927 -0.622) 3.211 17.338 ( 1.328 -0.365 -2.798) 3.119 17.513 ( 0.081 0.579 2.863) 2.922 17.554 ( 2.322 -2.144 1.253) 3.400 17.612 ( -3.570 -0.423 -0.265) 3.605 17.703 ( 0.682 -4.975 -2.777) 5.738 17.967 ( -0.203 -0.067 1.280) 1.297 18.002 ( -0.377 -0.957 -0.156) 1.040 18.097 ( -1.360 -0.017 2.079) 2.484 18.192 ( 1.125 -3.410 -2.758) 4.528 18.418 ( -1.395 0.184 1.668) 2.182 18.489 ( 2.073 -1.809 -0.746) 2.850 18.604 ( -0.644 -1.354 2.673) 3.066 18.721 ( 1.403 -5.193 -2.733) 6.033 20.527 ( -0.245 -0.041 0.411) 0.480 20.541 ( -0.430 -0.779 -0.274) 0.931 20.683 ( 0.463 -0.957 0.776) 1.316 20.710 ( 1.025 -2.199 -0.374) 2.455 21.540 ( -0.440 0.677 1.701) 1.882 21.547 ( -0.812 0.510 1.877) 2.108 21.603 ( 0.561 1.253 -1.117) 1.770 21.640 ( 0.753 -0.248 -2.290) 2.423 27.412 ( -0.696 0.214 0.702) 1.012 27.425 ( -0.141 -0.269 0.413) 0.513 27.460 ( 0.484 0.373 -0.370) 0.714 27.477 ( 0.147 -0.231 -0.720) 0.770 27.808 ( -0.400 1.502 0.573) 1.656 27.827 ( -0.383 1.335 -0.113) 1.393 27.861 ( 0.224 0.485 0.756) 0.926 27.889 ( 0.158 -0.046 -0.405) 0.437 35.293 ( -3.090 1.172 0.445) 3.335 35.312 ( 2.161 0.654 -0.051) 2.258 35.619 ( 0.440 1.052 1.818) 2.146 35.697 ( -0.592 -1.481 -1.245) 2.023 36.070 ( -0.935 1.221 3.763) 4.065 36.171 ( 1.461 -2.154 -0.603) 2.672 36.533 ( -0.718 3.796 3.162) 4.992 36.771 ( 3.412 -5.956 -7.283) 10.007 39.656 ( -3.133 1.386 4.270) 5.474 39.746 ( -2.070 -2.193 4.274) 5.231 39.845 ( 0.719 -0.831 -0.657) 1.280 40.041 ( -1.012 -9.879 -6.570) 11.907 40.841 ( 2.235 8.974 7.066) 11.638 41.120 ( -4.635 3.171 1.016) 5.707 41.201 ( 0.746 3.550 0.985) 3.759 41.555 ( 4.051 -6.168 -9.297) 11.870 ======================= Grid point 106 (57/80) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -7.750 11.338 8.052) 15.920 2.117 ( 0.529 11.004 9.546) 14.577 2.227 ( -1.804 8.025 -5.479) 9.883 2.336 ( 1.812 1.384 -2.121) 3.114 2.533 ( 3.443 -1.706 -0.816) 3.928 2.583 ( -0.523 1.344 -3.989) 4.242 2.627 ( 1.705 -2.174 1.038) 2.952 2.751 ( 0.313 -2.625 -5.124) 5.766 2.892 ( -3.941 7.427 4.822) 9.692 3.019 ( -2.846 6.291 1.531) 7.072 3.110 ( 2.467 -3.915 -4.198) 6.248 3.164 ( -1.186 8.235 -1.469) 8.448 3.174 ( -3.741 4.377 3.105) 6.542 3.260 ( 1.496 0.610 2.263) 2.780 3.376 ( -0.916 1.573 1.869) 2.609 3.406 ( -3.687 1.690 -1.160) 4.219 3.456 ( -1.247 -0.504 -1.947) 2.367 3.511 ( -2.733 -3.468 -0.199) 4.420 3.620 ( 0.643 6.857 -1.476) 7.043 3.679 ( 4.133 1.272 -2.733) 5.116 3.770 ( 2.766 7.265 -1.296) 7.881 3.880 ( 3.104 2.268 -2.018) 4.342 4.018 ( -0.961 -1.965 -1.416) 2.605 4.090 ( 0.486 1.915 -1.477) 2.467 4.111 ( 0.797 -2.223 0.179) 2.368 4.165 ( 5.833 5.770 5.987) 10.157 4.363 ( -2.298 -2.957 0.263) 3.754 4.376 ( -1.340 -2.375 1.052) 2.923 4.630 ( 0.307 5.851 1.122) 5.965 4.684 ( 2.228 3.779 1.067) 4.515 4.732 ( 1.275 2.012 5.681) 6.160 4.797 ( 0.762 3.430 -0.719) 3.586 4.831 ( -2.513 -0.040 -0.741) 2.620 4.843 ( -1.580 -0.473 -1.173) 2.024 4.952 ( -1.718 2.794 -1.010) 3.432 5.056 ( 3.296 1.734 -1.428) 3.988 5.218 ( -2.286 -5.172 4.015) 6.935 5.307 ( 0.506 -2.250 0.450) 2.350 5.355 ( 3.152 -2.137 5.239) 6.477 5.375 ( -1.261 -1.355 -0.781) 2.009 5.407 ( -2.316 -2.597 -1.346) 3.731 5.492 ( 1.878 -2.538 -0.228) 3.165 5.582 ( -5.485 -1.536 6.258) 8.462 5.655 ( 0.168 -2.222 -7.587) 7.908 5.713 ( 1.624 -0.893 -2.071) 2.779 5.745 ( -3.617 -3.841 1.276) 5.428 6.038 ( 3.638 3.171 -6.117) 7.792 6.168 ( 5.419 -2.957 -2.889) 6.816 6.322 ( -5.495 4.291 -0.215) 6.975 6.401 ( -2.467 4.482 1.902) 5.458 6.439 ( -4.609 1.306 4.762) 6.755 6.588 ( 0.855 -4.322 -2.315) 4.977 6.631 ( 2.723 -1.908 3.974) 5.181 6.663 ( -0.297 -3.006 2.084) 3.670 6.760 ( -1.382 1.044 3.238) 3.672 6.785 ( 6.815 5.636 -1.951) 9.056 6.965 ( 0.474 1.031 -1.483) 1.867 6.992 ( -2.192 -1.214 3.716) 4.482 7.034 ( -1.309 0.197 2.526) 2.852 7.047 ( 1.864 0.230 0.002) 1.878 7.079 ( -1.528 -0.702 1.340) 2.150 7.191 ( 3.603 4.422 -2.242) 6.128 7.235 ( 1.128 -1.775 -1.853) 2.803 7.298 ( -4.759 -2.586 0.878) 5.487 7.344 ( 2.121 3.412 1.887) 4.438 7.406 ( -0.108 3.360 3.382) 4.769 7.462 ( 4.865 -1.082 0.585) 5.018 7.475 ( -0.933 -2.215 -1.601) 2.888 7.532 ( -0.096 0.994 -0.605) 1.168 7.574 ( -0.425 4.156 -3.030) 5.161 7.661 ( 0.109 -0.443 -3.614) 3.643 7.686 ( 0.570 -2.402 -1.185) 2.739 7.785 ( -0.708 0.762 1.287) 1.654 7.882 ( 2.268 2.002 -1.708) 3.474 7.893 ( 0.181 -1.180 -0.604) 1.338 7.961 ( 4.440 -5.354 -2.262) 7.314 8.052 ( -1.274 -1.531 -3.269) 3.828 8.132 ( -0.792 -3.157 2.622) 4.180 8.201 ( 0.097 -0.329 0.348) 0.489 8.293 ( 1.137 -5.356 1.039) 5.573 8.340 ( 1.224 3.634 2.585) 4.625 8.456 ( 6.019 -0.228 0.949) 6.098 8.514 ( -4.675 0.578 0.951) 4.805 8.640 ( -1.857 -0.667 -0.773) 2.119 8.765 ( -0.834 0.483 -1.287) 1.608 8.855 ( -0.985 -3.691 -1.881) 4.258 9.061 ( -3.171 3.776 -2.147) 5.378 9.160 ( 0.733 -1.345 -0.150) 1.539 9.480 ( 0.190 4.373 -1.455) 4.613 9.541 ( 0.559 4.620 -4.112) 6.210 9.648 ( -3.954 -3.510 -4.603) 7.011 9.764 ( 3.557 -5.168 3.833) 7.352 10.476 ( -2.313 6.149 2.988) 7.217 10.572 ( 0.646 3.317 0.550) 3.424 10.644 ( -1.765 1.396 1.344) 2.621 10.797 ( 1.933 -2.023 -3.554) 4.523 11.404 ( -4.029 5.921 9.138) 11.610 11.644 ( 0.056 -3.477 -2.891) 4.522 12.073 ( 0.294 2.175 -2.926) 3.658 12.255 ( 3.949 -6.454 -8.443) 11.338 12.722 ( -3.829 4.503 8.962) 10.736 12.942 ( -4.962 -1.758 6.520) 8.380 13.058 ( 0.889 1.347 -2.569) 3.034 13.369 ( 3.536 -8.643 -5.744) 10.964 15.496 ( 1.223 2.099 -1.539) 2.876 15.531 ( 0.932 0.278 -4.271) 4.380 16.331 ( -0.062 0.462 1.701) 1.764 16.356 ( 0.780 -0.133 -0.255) 0.831 17.046 ( -2.757 1.773 3.582) 4.856 17.107 ( -3.456 -0.680 5.188) 6.271 17.299 ( 2.685 1.351 -1.691) 3.449 17.341 ( 1.714 0.608 -2.662) 3.224 17.484 ( -3.346 1.468 -0.062) 3.655 17.579 ( -0.844 -0.943 2.188) 2.528 17.590 ( -0.220 -2.109 -0.181) 2.128 17.703 ( 1.499 -5.288 -1.053) 5.597 17.981 ( 0.918 -0.718 0.732) 1.377 18.012 ( 1.304 -0.397 0.049) 1.364 18.087 ( -1.720 0.139 1.823) 2.510 18.173 ( -0.428 -3.140 -2.143) 3.826 18.396 ( -2.160 1.674 1.291) 3.022 18.516 ( 1.616 -2.163 -1.531) 3.104 18.613 ( -0.858 -1.956 2.118) 3.008 18.727 ( 1.805 -5.427 -2.820) 6.377 20.530 ( 0.042 -0.316 0.609) 0.687 20.535 ( -0.076 -0.418 0.125) 0.443 20.690 ( -0.122 -1.027 -0.143) 1.044 20.713 ( 0.026 -2.155 -1.189) 2.462 21.548 ( -0.726 0.666 1.814) 2.064 21.548 ( -0.888 0.665 1.549) 1.905 21.600 ( 0.454 1.006 -1.230) 1.652 21.624 ( 0.037 0.180 -2.077) 2.085 27.402 ( -0.982 0.784 0.889) 1.540 27.432 ( 0.257 -0.516 0.335) 0.667 27.459 ( 0.058 0.305 -0.473) 0.566 27.478 ( 0.435 -0.649 -0.523) 0.941 27.805 ( -0.517 1.421 0.696) 1.665 27.818 ( -0.579 1.188 0.367) 1.372 27.869 ( 0.052 0.522 0.332) 0.620 27.885 ( 0.003 0.184 -0.603) 0.630 35.266 ( 0.945 2.922 1.055) 3.247 35.415 ( 5.297 -3.767 0.843) 6.555 35.618 ( 0.771 3.221 -0.830) 3.414 35.742 ( 4.227 -1.800 -0.289) 4.603 36.065 ( -2.854 1.245 2.200) 3.812 36.170 ( -0.692 -2.098 -0.560) 2.279 36.525 ( -3.290 3.310 2.882) 5.485 36.759 ( 3.221 -5.814 -7.570) 10.074 39.656 ( -2.133 2.149 5.879) 6.612 39.740 ( -1.590 -1.136 2.486) 3.163 39.874 ( 0.585 -4.552 2.849) 5.402 39.947 ( -1.752 -7.306 -5.110) 9.086 40.905 ( -1.794 9.557 2.201) 9.970 41.116 ( 3.826 5.421 2.682) 7.157 41.179 ( -4.529 1.072 1.047) 4.770 41.547 ( 4.436 -7.141 -8.412) 11.892 ======================= Grid point 107 (58/80) ======================= q-point: (-0.60 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -6.555 11.396 6.757) 14.782 2.074 ( -4.292 11.281 -4.719) 12.960 2.252 ( 3.693 2.149 3.078) 5.266 2.345 ( -1.800 8.059 0.008) 8.257 2.549 ( 1.548 -1.994 -3.190) 4.068 2.586 ( 2.546 -1.303 0.008) 2.860 2.672 ( -2.679 -1.976 -3.109) 4.554 2.696 ( 3.408 -1.856 3.417) 5.170 2.913 ( -0.928 17.209 6.299) 18.349 2.974 ( -1.488 -2.028 -1.543) 2.951 3.046 ( -4.174 -2.039 -1.172) 4.791 3.156 ( 0.662 9.916 0.819) 9.972 3.186 ( 2.324 -0.737 -0.942) 2.614 3.268 ( -1.987 0.465 0.487) 2.098 3.332 ( -1.402 1.778 -1.498) 2.715 3.382 ( -0.145 1.351 0.302) 1.392 3.416 ( -1.007 -1.186 -1.083) 1.896 3.490 ( 0.868 -2.668 0.198) 2.813 3.597 ( -0.228 4.876 -2.086) 5.309 3.727 ( 2.721 0.710 -6.927) 7.476 3.767 ( 0.018 8.248 -1.691) 8.420 3.889 ( -0.139 -0.673 -3.180) 3.254 3.964 ( 1.899 5.836 -2.005) 6.457 4.105 ( -5.125 -3.167 0.839) 6.083 4.145 ( 1.871 -0.975 3.988) 4.512 4.261 ( 0.543 2.085 1.119) 2.428 4.325 ( -0.096 -3.087 -0.931) 3.226 4.372 ( -0.045 -4.422 -0.364) 4.437 4.636 ( -1.030 7.733 0.662) 7.829 4.723 ( -0.330 0.518 -2.384) 2.462 4.761 ( -0.389 1.584 1.065) 1.948 4.809 ( -1.179 -1.098 1.708) 2.348 4.818 ( 2.627 2.864 3.327) 5.116 4.863 ( 3.702 6.851 3.602) 8.580 4.898 ( -3.735 2.789 -0.428) 4.681 5.070 ( -1.375 0.015 -2.281) 2.663 5.193 ( -3.996 -4.257 0.050) 5.839 5.241 ( -2.259 -3.329 -3.161) 5.117 5.344 ( -1.182 -2.190 1.105) 2.723 5.415 ( -0.465 -1.871 0.445) 1.978 5.477 ( 1.850 1.347 4.937) 5.442 5.539 ( 2.499 -1.757 4.370) 5.332 5.588 ( 0.312 -1.155 7.671) 7.764 5.614 ( 3.908 -3.004 -3.411) 5.994 5.707 ( 2.173 1.105 -3.218) 4.037 5.804 ( 3.125 -3.506 2.263) 5.213 6.014 ( 0.970 3.605 -6.836) 7.789 6.150 ( -2.644 -2.372 -5.823) 6.821 6.268 ( 1.900 3.190 1.576) 4.033 6.385 ( -3.541 4.597 4.952) 7.628 6.412 ( -1.319 0.465 1.780) 2.264 6.550 ( -2.104 -1.238 -2.003) 3.158 6.642 ( -0.227 -3.835 0.981) 3.965 6.736 ( -1.084 -2.043 2.709) 3.562 6.806 ( 3.168 0.532 5.489) 6.360 6.854 ( -2.901 3.274 5.112) 6.728 6.943 ( -1.317 -4.458 -1.600) 4.916 6.984 ( -1.808 -0.142 0.455) 1.870 6.989 ( -3.146 -0.856 -3.396) 4.707 7.086 ( 2.321 -2.766 -1.927) 4.093 7.128 ( 3.695 2.415 0.479) 4.440 7.166 ( 2.892 3.314 -1.655) 4.699 7.221 ( 0.817 1.226 -0.780) 1.668 7.256 ( -5.998 1.617 4.732) 7.809 7.374 ( -5.602 1.779 3.325) 6.753 7.414 ( 3.363 3.316 -2.809) 5.495 7.454 ( -4.269 7.178 -1.938) 8.573 7.511 ( 2.908 0.662 -1.671) 3.418 7.553 ( 5.248 -2.243 -3.782) 6.847 7.575 ( 4.431 3.872 -1.031) 5.974 7.616 ( -0.838 0.195 -1.602) 1.818 7.681 ( 1.928 -3.887 -4.153) 6.006 7.809 ( 0.089 1.518 -0.162) 1.529 7.880 ( -3.178 -2.121 2.789) 4.730 7.911 ( 0.963 0.250 -1.409) 1.725 7.969 ( -0.028 -5.829 -3.501) 6.799 8.006 ( 0.735 -2.997 -1.579) 3.466 8.098 ( -2.000 -6.005 -2.625) 6.852 8.196 ( 0.256 -0.682 -3.228) 3.309 8.257 ( -1.449 -0.301 0.012) 1.480 8.413 ( 1.754 3.288 2.963) 4.761 8.504 ( -1.545 0.050 4.319) 4.588 8.592 ( 3.021 -1.425 1.736) 3.764 8.636 ( 4.079 0.617 1.205) 4.298 8.750 ( -2.999 -3.377 -2.714) 5.269 8.795 ( 1.929 -3.719 0.855) 4.276 8.998 ( -1.348 5.469 -2.125) 6.021 9.133 ( -2.881 -0.563 -2.177) 3.654 9.449 ( 0.270 3.081 -1.588) 3.477 9.550 ( -0.032 4.487 -3.175) 5.497 9.595 ( 3.607 -1.855 1.052) 4.190 9.808 ( -0.975 -5.718 0.121) 5.802 10.494 ( 0.037 6.063 4.832) 7.753 10.585 ( -0.895 0.681 1.313) 1.729 10.624 ( -0.375 3.528 0.133) 3.551 10.781 ( 0.540 -1.496 -4.232) 4.521 11.415 ( -4.525 5.424 8.769) 11.260 11.632 ( 1.661 -3.210 -2.285) 4.277 12.068 ( 1.125 1.552 -0.866) 2.104 12.249 ( 4.035 -7.008 -7.816) 11.246 12.746 ( -2.891 3.898 8.122) 9.461 12.947 ( -2.643 -1.584 8.711) 9.240 13.041 ( 0.454 2.214 -2.965) 3.728 13.373 ( 2.922 -9.059 -5.830) 11.162 15.491 ( 1.980 2.793 -3.708) 5.047 15.513 ( 0.057 0.709 -2.385) 2.489 16.357 ( 0.221 0.506 2.661) 2.718 16.385 ( 1.613 0.033 0.757) 1.782 17.050 ( -1.138 1.649 4.877) 5.272 17.102 ( -3.356 -1.300 6.933) 7.811 17.295 ( -0.014 3.517 -3.563) 5.007 17.358 ( 2.188 0.002 -2.380) 3.233 17.448 ( 0.038 -0.339 -0.242) 0.418 17.537 ( -2.286 -3.419 -3.282) 5.262 17.605 ( 0.000 -0.276 3.579) 3.590 17.715 ( -0.248 -3.997 0.264) 4.013 18.013 ( 1.080 -1.052 0.660) 1.646 18.043 ( 1.316 -2.329 0.025) 2.676 18.078 ( -0.149 1.517 0.892) 1.766 18.140 ( -0.761 -1.693 -1.508) 2.392 18.377 ( -1.005 1.795 1.569) 2.587 18.513 ( 0.108 -2.147 -2.496) 3.294 18.616 ( -1.115 -2.556 2.086) 3.483 18.724 ( 1.187 -5.358 -3.289) 6.398 20.539 ( 0.160 -0.216 0.633) 0.688 20.541 ( 0.070 -0.611 0.823) 1.027 20.678 ( -0.242 -0.644 -1.186) 1.371 20.691 ( -0.633 -1.404 -1.664) 2.268 21.543 ( -1.280 0.861 1.682) 2.282 21.549 ( -0.814 0.475 1.337) 1.636 21.597 ( 0.630 0.869 -1.451) 1.805 21.609 ( 0.607 0.543 -1.635) 1.827 27.396 ( -0.623 1.067 1.146) 1.685 27.438 ( 0.209 -0.633 -0.042) 0.668 27.459 ( 0.157 0.032 -0.211) 0.265 27.479 ( 0.240 -0.766 -0.487) 0.939 27.805 ( -0.326 1.184 0.822) 1.478 27.814 ( -0.399 0.985 0.717) 1.281 27.867 ( -0.449 0.747 -0.042) 0.872 27.881 ( 0.334 0.406 -0.699) 0.874 35.332 ( 3.485 2.543 2.020) 4.763 35.452 ( -2.993 -2.630 1.710) 4.336 35.685 ( 7.548 1.407 -3.008) 8.246 35.794 ( 1.279 -3.160 -2.362) 4.147 36.017 ( -4.063 2.903 3.238) 5.951 36.152 ( -1.188 -2.275 0.943) 2.734 36.478 ( -3.632 3.698 2.156) 5.614 36.742 ( 3.623 -6.672 -8.595) 11.468 39.687 ( -1.721 1.866 6.877) 7.331 39.752 ( -0.605 -1.014 4.162) 4.326 39.862 ( -2.323 -4.325 -1.260) 5.068 39.927 ( 2.548 -6.322 -1.118) 6.907 40.896 ( 0.517 9.693 0.973) 9.755 41.059 ( -7.814 0.927 0.609) 7.892 41.242 ( 4.274 3.252 2.907) 6.106 41.549 ( 4.122 -7.044 -7.791) 11.283 ======================= Grid point 108 (59/80) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -3.649 17.869 7.289) 19.640 1.986 ( -2.081 11.375 0.236) 11.566 2.258 ( -4.073 14.196 -1.493) 14.844 2.379 ( 6.857 -1.077 1.167) 7.038 2.533 ( -2.470 -11.693 -0.819) 11.979 2.590 ( 0.271 -0.889 -3.044) 3.183 2.678 ( 1.790 1.027 4.503) 4.953 2.787 ( -0.100 -0.116 -1.403) 1.412 2.896 ( 0.537 -2.156 0.128) 2.226 2.960 ( -1.382 -0.748 -2.466) 2.924 3.001 ( 1.550 9.510 4.715) 10.727 3.175 ( 2.033 8.765 -3.987) 9.842 3.216 ( -0.238 1.585 2.431) 2.912 3.291 ( 0.460 -1.506 -2.586) 3.028 3.308 ( 0.491 7.862 5.442) 9.574 3.341 ( -2.074 0.623 -2.137) 3.043 3.414 ( 1.249 -2.861 0.387) 3.145 3.539 ( 3.791 0.147 -2.211) 4.391 3.569 ( 0.396 5.853 -3.640) 6.904 3.650 ( 1.282 1.928 -5.507) 5.974 3.772 ( -2.039 5.043 -0.468) 5.460 3.855 ( 1.648 5.497 -3.035) 6.492 3.964 ( -5.870 3.279 -0.099) 6.725 4.058 ( 4.456 1.093 2.365) 5.162 4.201 ( -5.164 -0.866 0.238) 5.241 4.224 ( 0.289 -2.341 4.548) 5.124 4.316 ( -2.171 -2.983 0.536) 3.729 4.384 ( 1.406 -7.005 -0.418) 7.157 4.573 ( -5.799 6.349 2.499) 8.954 4.647 ( -5.103 1.465 -0.747) 5.361 4.787 ( -3.697 0.768 4.167) 5.624 4.806 ( 0.877 -0.815 -0.191) 1.212 4.852 ( 3.058 -0.796 -1.669) 3.574 4.863 ( -0.862 0.374 0.810) 1.241 4.995 ( 3.338 5.322 1.621) 6.488 5.012 ( 0.036 2.074 -1.088) 2.342 5.119 ( -1.257 -0.638 -1.586) 2.122 5.208 ( 1.180 -4.924 -0.032) 5.063 5.359 ( -0.010 -2.480 3.813) 4.548 5.410 ( 1.425 -3.150 -1.811) 3.903 5.540 ( -0.118 -0.174 2.124) 2.134 5.629 ( 3.121 -1.050 1.075) 3.464 5.656 ( 0.588 -1.249 3.414) 3.683 5.689 ( 5.956 0.682 -5.231) 7.956 5.712 ( -1.255 1.708 1.182) 2.427 5.881 ( 1.379 -5.403 3.413) 6.538 5.972 ( 2.832 4.650 -6.448) 8.439 6.053 ( -0.048 -0.374 -5.799) 5.811 6.322 ( -4.871 3.833 1.212) 6.316 6.369 ( 2.293 -1.001 2.785) 3.743 6.410 ( -1.546 0.208 4.543) 4.804 6.512 ( -1.477 0.485 0.031) 1.555 6.632 ( -2.028 0.212 2.970) 3.603 6.758 ( 1.782 -3.340 1.203) 3.972 6.782 ( -7.332 0.759 0.701) 7.404 6.854 ( -2.587 -1.924 1.134) 3.418 6.887 ( -2.876 3.960 4.158) 6.422 6.903 ( -1.868 -1.384 -0.070) 2.326 6.984 ( -0.325 2.317 -0.468) 2.386 7.054 ( -7.681 0.399 2.540) 8.100 7.115 ( -2.232 -0.118 -1.891) 2.928 7.130 ( -2.295 0.787 -2.000) 3.144 7.272 ( 2.822 1.654 5.082) 6.044 7.290 ( -0.046 -2.396 3.236) 4.027 7.319 ( 0.143 5.987 -1.569) 6.191 7.399 ( 1.292 6.134 -1.157) 6.374 7.474 ( 3.700 -1.836 0.445) 4.154 7.521 ( 1.788 2.337 -4.331) 5.236 7.536 ( 0.249 3.315 -2.874) 4.395 7.626 ( 2.163 2.869 -3.891) 5.296 7.681 ( 5.342 -3.238 -1.406) 6.403 7.723 ( 5.176 -4.787 -4.216) 8.215 7.746 ( -5.357 0.235 1.468) 5.559 7.826 ( -2.906 -3.455 0.552) 4.548 7.865 ( -0.142 1.665 -0.179) 1.681 7.954 ( -2.062 -5.285 -1.972) 6.006 7.980 ( -1.038 -2.388 -0.830) 2.733 8.090 ( 2.664 -8.737 -3.568) 9.807 8.174 ( -2.694 -0.004 0.800) 2.810 8.247 ( 0.931 -1.959 1.509) 2.642 8.468 ( 1.787 2.180 1.488) 3.187 8.495 ( -1.511 1.762 1.264) 2.643 8.599 ( -2.355 -0.672 -0.081) 2.450 8.682 ( -1.086 -0.620 0.695) 1.430 8.747 ( 0.641 2.097 -0.888) 2.366 8.845 ( 4.747 0.167 -0.840) 4.824 8.996 ( -0.050 2.186 0.801) 2.328 9.078 ( 3.391 -2.603 -3.278) 5.387 9.475 ( 1.759 5.677 -0.749) 5.991 9.496 ( 0.160 1.346 -2.869) 3.173 9.683 ( -1.419 -2.194 1.028) 2.808 9.782 ( 3.149 -4.156 -1.988) 5.580 10.543 ( -1.128 1.291 2.141) 2.742 10.576 ( -0.559 1.822 4.663) 5.037 10.645 ( 2.314 4.239 -0.740) 4.885 10.741 ( 0.220 0.202 -4.396) 4.407 11.404 ( -4.868 5.961 7.413) 10.686 11.660 ( 2.788 -4.281 -1.456) 5.312 12.093 ( 2.625 1.628 -1.601) 3.479 12.255 ( 4.663 -5.805 -7.789) 10.776 12.761 ( -3.333 4.143 6.167) 8.143 12.997 ( -1.497 -2.120 7.864) 8.281 13.027 ( 0.618 1.676 -1.479) 2.319 13.367 ( 2.907 -9.066 -6.451) 11.500 15.476 ( -0.648 2.607 -2.734) 3.833 15.515 ( 3.402 1.460 -2.953) 4.736 16.377 ( -0.747 0.515 1.721) 1.946 16.414 ( 0.492 -0.477 0.084) 0.691 17.090 ( -1.199 1.131 6.095) 6.314 17.115 ( -2.011 -0.285 6.033) 6.366 17.256 ( -0.343 3.787 -3.174) 4.953 17.371 ( 2.694 -0.407 -3.817) 4.689 17.443 ( -1.830 -1.310 -0.608) 2.331 17.479 ( 0.489 -2.892 -0.709) 3.017 17.652 ( 0.877 -1.072 3.349) 3.624 17.707 ( 0.092 -2.851 -0.796) 2.962 18.004 ( -2.310 -0.840 0.511) 2.510 18.052 ( -0.609 -2.925 0.014) 2.987 18.091 ( 0.142 1.774 0.682) 1.905 18.143 ( 2.955 -1.299 -1.920) 3.756 18.395 ( 0.532 0.019 2.708) 2.760 18.474 ( -0.891 -1.998 -2.888) 3.624 18.609 ( -1.700 -1.918 1.902) 3.192 18.718 ( 1.451 -5.038 -2.665) 5.881 20.541 ( -0.604 -0.231 0.666) 0.929 20.554 ( 0.239 -0.935 0.692) 1.187 20.663 ( -0.228 -0.394 -1.165) 1.250 20.670 ( 0.541 -0.650 -0.934) 1.260 21.535 ( -1.108 0.814 1.558) 2.078 21.546 ( -0.926 0.381 1.395) 1.717 21.597 ( 0.788 1.091 -1.258) 1.843 21.617 ( 1.762 0.372 -1.635) 2.432 27.400 ( -0.210 0.797 1.183) 1.442 27.438 ( -0.032 -0.629 -0.203) 0.662 27.456 ( -0.133 0.105 -0.261) 0.311 27.481 ( 0.424 -0.572 -0.457) 0.846 27.806 ( -0.279 1.152 0.697) 1.375 27.820 ( 0.210 0.725 0.810) 1.107 27.856 ( -0.505 1.138 -0.127) 1.252 27.883 ( 0.491 0.265 -0.539) 0.776 35.353 ( -4.948 1.758 1.828) 5.560 35.439 ( 1.757 -1.426 1.672) 2.813 35.693 ( -4.901 0.480 -3.964) 6.322 35.800 ( 3.381 -3.063 -3.008) 5.464 36.003 ( -1.902 3.018 5.194) 6.301 36.134 ( -2.049 -2.440 1.764) 3.642 36.456 ( -0.357 4.531 2.046) 4.985 36.740 ( 5.293 -7.128 -8.417) 12.234 39.716 ( -2.145 0.187 6.308) 6.665 39.751 ( -4.899 -1.698 4.174) 6.657 39.842 ( 1.541 -0.313 -0.956) 1.840 39.985 ( 6.094 -6.819 -3.039) 9.637 40.880 ( -6.860 4.924 1.084) 8.514 40.988 ( 2.249 3.768 3.415) 5.560 41.302 ( -0.689 2.151 1.217) 2.566 41.553 ( 4.895 -5.843 -8.238) 11.224 ======================= Grid point 109 (60/80) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -0.482 19.833 10.669) 22.526 1.978 ( -3.635 16.128 7.871) 18.310 2.219 ( 2.489 10.826 -1.807) 11.255 2.470 ( -2.633 1.108 -0.513) 2.902 2.495 ( 1.586 -9.189 -2.467) 9.645 2.569 ( 1.246 -6.678 2.620) 7.281 2.654 ( -2.768 1.462 -8.988) 9.517 2.775 ( 3.470 -1.020 0.690) 3.682 2.931 ( 0.576 -5.532 -2.926) 6.285 2.969 ( 2.420 -0.314 3.072) 3.923 3.098 ( 2.343 6.890 2.602) 7.729 3.171 ( 1.424 12.284 -3.231) 12.781 3.220 ( -1.864 1.139 2.740) 3.504 3.239 ( -1.119 2.980 0.250) 3.193 3.286 ( -1.734 7.867 -0.250) 8.060 3.368 ( 1.672 1.265 2.225) 3.057 3.476 ( 3.058 -2.347 1.309) 4.071 3.545 ( -0.032 6.828 -1.534) 6.998 3.582 ( 2.590 0.977 -2.576) 3.782 3.674 ( 3.735 3.411 -2.843) 5.802 3.776 ( 3.432 5.151 0.519) 6.212 3.844 ( -5.579 6.672 -0.028) 8.697 3.874 ( 1.255 3.605 -2.338) 4.477 4.068 ( -3.879 -4.651 1.281) 6.191 4.174 ( -0.901 -2.646 0.181) 2.801 4.224 ( -1.700 1.156 2.478) 3.219 4.313 ( -0.171 -2.640 2.741) 3.810 4.384 ( -0.946 -1.705 2.015) 2.804 4.543 ( -0.636 2.303 1.912) 3.060 4.562 ( -2.539 -1.348 3.171) 4.280 4.732 ( -5.965 0.814 4.489) 7.509 4.791 ( -2.193 -2.713 -0.865) 3.594 4.834 ( 1.252 1.559 -1.742) 2.652 4.910 ( 1.535 -3.525 -2.128) 4.394 4.992 ( 1.805 3.852 0.211) 4.259 5.107 ( 1.353 -2.329 5.860) 6.450 5.113 ( 2.084 8.099 -2.742) 8.801 5.264 ( 2.496 -5.230 3.305) 6.671 5.377 ( -1.956 -1.421 0.906) 2.582 5.440 ( 2.200 -5.331 -1.567) 5.976 5.506 ( -3.573 -3.739 -0.715) 5.221 5.608 ( -2.109 1.680 -6.724) 7.245 5.668 ( -1.394 1.392 -3.207) 3.764 5.689 ( -1.428 1.381 -2.500) 3.193 5.715 ( 3.192 0.204 -0.845) 3.308 5.892 ( -1.139 -5.971 2.391) 6.532 5.995 ( 3.677 0.527 -6.894) 7.831 6.048 ( 2.100 -1.988 -1.491) 3.253 6.254 ( -0.670 6.039 1.285) 6.211 6.435 ( -0.688 1.110 6.124) 6.261 6.449 ( 2.939 -0.595 0.412) 3.027 6.512 ( 2.055 -0.791 1.365) 2.591 6.627 ( -0.963 2.420 1.510) 3.010 6.669 ( -4.764 3.377 2.758) 6.458 6.757 ( -4.473 -2.492 -0.958) 5.209 6.803 ( -5.079 -4.112 2.132) 6.874 6.860 ( -1.486 -2.961 5.180) 6.149 6.915 ( 2.708 -2.703 3.348) 5.084 6.992 ( -0.822 0.731 3.079) 3.270 7.003 ( -1.842 6.259 2.606) 7.026 7.064 ( 0.059 2.154 1.153) 2.444 7.087 ( -0.478 3.631 0.312) 3.675 7.249 ( -2.432 1.916 -2.907) 4.247 7.339 ( -0.843 2.531 2.430) 3.609 7.383 ( -0.183 1.955 2.606) 3.263 7.393 ( 1.802 1.650 1.725) 2.991 7.447 ( -3.008 0.246 -4.093) 5.086 7.537 ( -1.343 1.139 -1.792) 2.512 7.565 ( 0.179 0.435 0.720) 0.860 7.609 ( 4.232 -0.596 -4.576) 6.261 7.633 ( 0.413 -2.885 -2.178) 3.638 7.758 ( -1.107 0.328 3.691) 3.867 7.767 ( 3.898 -2.114 -3.257) 5.502 7.846 ( -0.703 -4.331 -4.058) 5.976 7.885 ( -0.101 -0.623 0.998) 1.181 7.921 ( 1.322 -1.587 3.318) 3.908 7.953 ( 1.765 -3.896 -1.343) 4.482 8.078 ( 0.004 -4.229 -2.957) 5.160 8.156 ( 0.571 1.346 2.334) 2.754 8.265 ( -2.596 -1.441 2.999) 4.220 8.437 ( -4.218 -0.541 0.970) 4.362 8.488 ( -6.574 -3.179 0.481) 7.318 8.573 ( 3.265 4.063 0.009) 5.212 8.660 ( 2.822 -0.883 -4.182) 5.121 8.744 ( 1.449 1.748 -2.024) 3.042 8.900 ( 0.041 -2.661 -0.950) 2.826 9.041 ( 4.804 4.271 0.037) 6.429 9.161 ( 4.660 -0.871 -0.458) 4.763 9.443 ( -0.122 4.393 -1.677) 4.703 9.542 ( 2.215 0.348 -0.041) 2.243 9.615 ( -0.365 0.144 -4.146) 4.165 9.833 ( 0.882 -3.874 -0.745) 4.042 10.524 ( -1.162 1.871 0.596) 2.282 10.607 ( -2.134 -0.775 3.166) 3.896 10.662 ( 0.481 3.598 -2.018) 4.153 10.739 ( 3.234 1.430 -1.795) 3.965 11.389 ( -4.133 6.552 7.310) 10.651 11.687 ( 1.175 -5.449 -1.514) 5.776 12.122 ( 3.120 2.352 -4.548) 5.995 12.264 ( 4.547 -4.370 -8.282) 10.410 12.742 ( -4.555 5.250 5.865) 9.095 13.022 ( 0.743 3.010 -1.550) 3.467 13.040 ( -2.221 -5.187 6.170) 8.361 13.358 ( 3.195 -8.706 -6.746) 11.468 15.449 ( 0.645 3.707 -1.725) 4.140 15.550 ( 3.030 -0.310 -3.143) 4.377 16.362 ( -1.633 0.520 0.186) 1.724 16.401 ( -0.986 -0.950 -1.282) 1.876 17.098 ( -2.888 1.428 4.123) 5.232 17.142 ( -2.008 -0.010 4.703) 5.114 17.230 ( 1.173 3.593 -2.222) 4.384 17.355 ( 0.391 -1.095 -3.999) 4.164 17.456 ( 2.167 0.038 2.138) 3.044 17.504 ( 1.584 -2.831 0.823) 3.347 17.671 ( -1.757 -1.229 0.543) 2.212 17.710 ( 0.906 -3.781 -1.017) 4.019 17.969 ( -1.391 -0.176 0.655) 1.547 18.026 ( -1.710 -1.732 0.036) 2.434 18.098 ( -0.642 0.878 1.566) 1.907 18.180 ( 2.858 -2.651 -2.591) 4.680 18.420 ( -0.433 -0.701 0.867) 1.196 18.458 ( 1.276 -1.598 0.098) 2.047 18.597 ( -1.485 -1.077 2.320) 2.958 18.722 ( 1.509 -5.377 -2.564) 6.145 20.532 ( -0.680 0.032 0.301) 0.745 20.554 ( -0.465 -1.139 -0.179) 1.243 20.663 ( 0.598 -0.472 0.533) 0.930 20.687 ( 1.444 -1.306 -0.150) 1.953 21.534 ( -0.679 0.723 1.600) 1.883 21.544 ( -0.809 0.383 1.705) 1.926 21.601 ( 0.791 1.297 -1.102) 1.877 21.636 ( 1.871 -0.113 -1.987) 2.732 27.409 ( -0.065 0.346 0.937) 1.001 27.432 ( -0.635 -0.628 0.217) 0.920 27.454 ( 0.490 0.669 -0.656) 1.057 27.482 ( 0.127 -0.413 -0.484) 0.649 27.808 ( -0.206 1.377 0.531) 1.490 27.831 ( 0.116 0.863 0.182) 0.890 27.851 ( -0.066 1.002 0.486) 1.116 27.887 ( 0.377 0.021 -0.342) 0.509 35.286 ( -2.136 2.274 0.635) 3.184 35.422 ( -6.344 -3.902 0.396) 7.458 35.593 ( -0.377 4.677 -0.552) 4.725 35.765 ( -3.729 -2.285 -1.084) 4.506 36.039 ( -0.047 1.146 4.079) 4.238 36.135 ( 1.266 -2.462 0.816) 2.886 36.496 ( 1.319 4.727 2.528) 5.521 36.765 ( 4.912 -6.738 -7.256) 11.054 39.691 ( -4.448 0.099 3.234) 5.500 39.734 ( -2.058 -1.790 5.457) 6.101 39.851 ( 0.837 0.766 -2.166) 2.445 40.068 ( 4.740 -9.838 -4.545) 11.828 40.786 ( -3.422 9.190 3.556) 10.431 41.096 ( 1.435 -3.097 8.121) 8.809 41.247 ( -2.759 7.169 -3.979) 8.651 41.564 ( 4.546 -5.643 -8.420) 11.109 ======================= Grid point 110 (61/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -4.751 -10.828 3.150) 12.237 2.193 ( -4.751 10.828 3.150) 12.237 2.324 ( -2.669 -8.722 6.219) 11.039 2.324 ( -2.669 8.722 6.219) 11.039 2.468 ( 2.825 -5.898 -0.220) 6.544 2.468 ( 2.825 5.898 -0.220) 6.544 2.687 ( 3.178 -6.929 -5.510) 9.405 2.687 ( 3.178 6.929 -5.510) 9.406 2.956 ( 2.927 -5.174 -3.185) 6.744 2.956 ( 2.927 5.174 -3.185) 6.744 3.175 ( -1.918 -2.321 2.969) 4.228 3.175 ( -1.918 2.321 2.969) 4.228 3.316 ( 1.454 -2.097 0.744) 2.658 3.316 ( 1.454 2.097 0.744) 2.658 3.410 ( 1.697 -2.570 0.973) 3.229 3.410 ( 1.697 2.570 0.973) 3.229 3.525 ( -6.000 -6.261 0.753) 8.704 3.525 ( -6.000 6.261 0.753) 8.704 3.672 ( 2.998 -2.054 -4.604) 5.865 3.672 ( 2.998 2.054 -4.604) 5.865 3.902 ( 0.397 -7.138 1.494) 7.303 3.902 ( 0.397 7.138 1.494) 7.303 4.015 ( 2.737 -5.382 -2.670) 6.602 4.015 ( 2.737 5.382 -2.670) 6.602 4.120 ( -1.246 -6.877 1.242) 7.099 4.120 ( -1.246 6.877 1.242) 7.099 4.329 ( -0.390 -1.804 2.691) 3.263 4.329 ( -0.390 1.804 2.691) 3.263 4.636 ( 2.538 -0.709 6.000) 6.553 4.636 ( 2.538 0.709 6.000) 6.553 4.727 ( 0.144 -2.876 3.548) 4.569 4.727 ( 0.144 2.876 3.548) 4.569 4.845 ( -0.128 -1.126 -2.055) 2.347 4.845 ( -0.128 1.126 -2.055) 2.347 5.108 ( -1.812 -6.313 0.908) 6.631 5.108 ( -1.812 6.313 0.908) 6.631 5.225 ( -2.825 -5.202 -3.829) 7.050 5.225 ( -2.825 5.202 -3.829) 7.050 5.287 ( 0.351 -2.409 5.211) 5.751 5.287 ( 0.351 2.409 5.211) 5.751 5.463 ( -2.080 -2.352 -4.284) 5.311 5.463 ( -2.080 2.352 -4.284) 5.311 5.656 ( 0.086 -4.307 -5.950) 7.346 5.656 ( 0.086 4.307 -5.950) 7.346 5.760 ( -3.173 -3.683 3.091) 5.761 5.760 ( -3.173 3.683 3.091) 5.761 6.045 ( 5.474 -1.158 -3.789) 6.758 6.045 ( 5.474 1.158 -3.789) 6.758 6.418 ( 0.981 -5.681 1.411) 5.935 6.418 ( 0.981 5.681 1.411) 5.935 6.515 ( -1.540 -1.383 0.707) 2.187 6.515 ( -1.540 1.383 0.707) 2.187 6.626 ( -5.601 -3.881 2.292) 7.189 6.626 ( -5.601 3.881 2.292) 7.189 6.764 ( 5.944 -0.558 1.335) 6.117 6.764 ( 5.944 0.558 1.335) 6.117 6.939 ( 3.748 -2.420 4.164) 6.103 6.939 ( 3.747 2.420 4.164) 6.103 7.015 ( -3.811 -1.703 3.782) 5.633 7.015 ( -3.811 1.703 3.782) 5.633 7.108 ( 1.154 -2.388 1.110) 2.875 7.108 ( 1.154 2.388 1.110) 2.875 7.307 ( -0.173 -3.569 -4.332) 5.616 7.307 ( -0.173 3.569 -4.332) 5.616 7.391 ( -2.295 -0.698 1.943) 3.087 7.391 ( -2.295 0.698 1.943) 3.087 7.471 ( -3.676 -1.986 1.553) 4.457 7.471 ( -3.676 1.986 1.553) 4.457 7.568 ( -0.140 -3.529 -1.212) 3.734 7.568 ( -0.140 3.529 -1.212) 3.734 7.634 ( 4.725 -1.178 -3.130) 5.789 7.634 ( 4.725 1.178 -3.130) 5.789 7.813 ( -0.227 -3.038 0.502) 3.088 7.813 ( -0.226 3.038 0.502) 3.088 7.916 ( 3.793 -2.090 -4.382) 6.161 7.916 ( 3.793 2.090 -4.382) 6.161 8.037 ( 1.545 -1.399 2.416) 3.190 8.037 ( 1.545 1.399 2.416) 3.190 8.195 ( -2.519 -1.158 2.298) 3.601 8.195 ( -2.519 1.158 2.298) 3.601 8.377 ( -1.866 -2.155 2.418) 3.738 8.377 ( -1.866 2.155 2.418) 3.738 8.659 ( -0.296 -1.313 -1.037) 1.699 8.659 ( -0.296 1.313 -1.037) 1.699 8.812 ( 1.214 -2.428 -2.564) 3.734 8.812 ( 1.214 2.428 -2.564) 3.734 9.146 ( -0.405 -2.235 -1.644) 2.804 9.146 ( -0.405 2.235 -1.644) 2.804 9.549 ( 3.616 -3.688 1.869) 5.493 9.549 ( 3.616 3.688 1.869) 5.493 9.679 ( -1.390 -5.430 -5.038) 7.536 9.679 ( -1.390 5.430 -5.038) 7.536 10.562 ( -2.008 -2.315 3.400) 4.577 10.562 ( -2.008 2.315 3.400) 4.577 10.732 ( 1.451 -3.625 -2.905) 4.867 10.732 ( 1.451 3.625 -2.905) 4.867 11.541 ( -2.295 -7.623 4.024) 8.921 11.541 ( -2.295 7.623 4.024) 8.921 12.175 ( 3.053 -3.849 -8.760) 10.044 12.175 ( 3.053 3.849 -8.760) 10.044 12.850 ( -6.217 -7.271 9.143) 13.233 12.850 ( -6.217 7.271 9.143) 13.233 13.187 ( 4.172 -8.185 -7.285) 11.725 13.187 ( 4.172 8.185 -7.285) 11.725 15.524 ( 1.170 -2.416 -1.530) 3.090 15.524 ( 1.170 2.416 -1.530) 3.090 16.348 ( -0.712 -0.926 -0.843) 1.441 16.348 ( -0.712 0.926 -0.843) 1.441 17.112 ( -3.701 -1.741 4.191) 5.856 17.112 ( -3.701 1.741 4.191) 5.856 17.310 ( 2.314 -2.472 -3.036) 4.548 17.310 ( 2.314 2.472 -3.036) 4.548 17.524 ( 1.777 -0.973 2.382) 3.127 17.524 ( 1.777 0.973 2.382) 3.127 17.624 ( -1.772 -2.298 -1.551) 3.291 17.624 ( -1.772 2.298 -1.551) 3.291 17.973 ( -0.458 -1.059 1.085) 1.584 17.973 ( -0.458 1.059 1.085) 1.584 18.130 ( -0.097 -2.581 -0.650) 2.663 18.130 ( -0.097 2.581 -0.650) 2.663 18.443 ( -0.259 -2.087 1.801) 2.768 18.443 ( -0.259 2.087 1.801) 2.768 18.633 ( 1.082 -3.352 -1.383) 3.784 18.633 ( 1.082 3.352 -1.383) 3.784 20.530 ( -0.259 -0.353 0.049) 0.440 20.530 ( -0.259 0.353 0.049) 0.440 20.679 ( 0.620 -0.709 -0.026) 0.942 20.679 ( 0.620 0.709 -0.026) 0.942 21.550 ( -0.624 -0.221 1.861) 1.975 21.550 ( -0.624 0.221 1.861) 1.975 21.626 ( 0.641 -1.003 -1.655) 2.039 21.626 ( 0.641 1.003 -1.655) 2.039 27.418 ( -0.364 -0.367 0.657) 0.836 27.418 ( -0.364 0.367 0.657) 0.836 27.469 ( 0.276 -0.484 -0.687) 0.884 27.469 ( 0.276 0.484 -0.687) 0.884 27.832 ( -0.540 -0.709 0.748) 1.163 27.832 ( -0.540 0.709 0.748) 1.163 27.877 ( 0.335 -0.952 -0.325) 1.061 27.877 ( 0.335 0.952 -0.325) 1.061 35.311 ( -0.688 -0.590 0.689) 1.139 35.311 ( -0.688 0.590 0.689) 1.139 35.656 ( 0.320 -2.250 -0.730) 2.387 35.656 ( 0.320 2.250 -0.730) 2.387 36.114 ( -0.439 -2.881 3.110) 4.262 36.114 ( -0.439 2.881 3.110) 4.262 36.642 ( 1.843 -6.336 -3.153) 7.313 36.642 ( 1.843 6.336 -3.153) 7.313 39.696 ( -2.064 -2.443 4.240) 5.311 39.696 ( -2.064 2.443 4.240) 5.311 39.888 ( -0.449 -4.923 -3.654) 6.148 39.888 ( -0.449 4.923 -3.654) 6.148 41.013 ( -1.460 -7.703 8.821) 11.801 41.013 ( -1.460 7.703 8.821) 11.801 41.394 ( 2.656 -9.498 -8.914) 13.293 41.394 ( 2.656 9.498 -8.914) 13.293 ======================= Grid point 112 (62/80) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -6.693 -10.566 4.553) 13.310 2.109 ( -6.693 10.566 4.553) 13.310 2.349 ( -0.364 -2.766 2.998) 4.095 2.349 ( -0.364 2.766 2.998) 4.095 2.515 ( 2.201 -2.975 0.750) 3.776 2.515 ( 2.201 2.975 0.750) 3.776 2.689 ( 1.392 -5.766 -4.870) 7.675 2.689 ( 1.392 5.766 -4.870) 7.675 2.967 ( 2.876 -5.987 -4.677) 8.124 2.967 ( 2.876 5.987 -4.677) 8.124 3.180 ( -1.574 -2.706 3.131) 4.428 3.180 ( -1.574 2.706 3.131) 4.428 3.323 ( -0.642 -4.051 -2.293) 4.699 3.323 ( -0.642 4.051 -2.293) 4.699 3.399 ( -5.348 -3.103 3.908) 7.315 3.399 ( -5.348 3.103 3.908) 7.315 3.433 ( -1.181 -0.883 -0.626) 1.602 3.433 ( -1.181 0.883 -0.626) 1.602 3.716 ( 3.565 -0.984 -2.695) 4.576 3.716 ( 3.565 0.984 -2.695) 4.576 3.870 ( -2.374 -1.578 0.266) 2.863 3.870 ( -2.374 1.578 0.266) 2.863 4.019 ( 1.211 -4.814 -1.690) 5.243 4.019 ( 1.211 4.814 -1.690) 5.243 4.169 ( 2.170 -5.211 0.308) 5.654 4.169 ( 2.170 5.211 0.308) 5.654 4.347 ( 0.493 -1.668 0.660) 1.860 4.347 ( 0.493 1.668 0.660) 1.860 4.711 ( 0.919 -2.619 -0.627) 2.845 4.711 ( 0.919 2.619 -0.627) 2.845 4.785 ( 2.245 -3.513 3.305) 5.320 4.785 ( 2.245 3.513 3.305) 5.320 4.819 ( -1.230 -0.686 -1.183) 1.839 4.819 ( -1.230 0.686 -1.183) 1.839 5.065 ( -2.261 -5.557 4.647) 7.588 5.065 ( -2.261 5.557 4.647) 7.588 5.193 ( 2.115 -6.056 -1.217) 6.529 5.193 ( 2.115 6.056 -1.217) 6.529 5.362 ( -2.277 -1.807 1.383) 3.219 5.362 ( -2.277 1.807 1.383) 3.219 5.423 ( 2.345 -4.657 3.126) 6.079 5.423 ( 2.345 4.657 3.126) 6.079 5.591 ( -2.446 -2.706 -2.509) 4.427 5.591 ( -2.446 2.706 -2.509) 4.427 5.715 ( -0.455 -1.016 -1.169) 1.615 5.715 ( -0.455 1.016 -1.169) 1.615 6.103 ( 3.860 -3.316 -5.087) 7.195 6.103 ( 3.860 3.316 -5.087) 7.195 6.425 ( -3.073 -3.762 0.475) 4.881 6.425 ( -3.073 3.762 0.475) 4.881 6.481 ( -0.855 -2.732 1.662) 3.310 6.481 ( -0.855 2.732 1.662) 3.310 6.603 ( 0.083 -1.322 3.694) 3.924 6.603 ( 0.083 1.322 3.694) 3.924 6.864 ( -0.255 -5.813 0.592) 5.848 6.864 ( -0.255 5.813 0.592) 5.848 6.923 ( -0.130 -4.275 -0.124) 4.279 6.923 ( -0.130 4.275 -0.124) 4.279 7.050 ( -0.201 -1.618 3.181) 3.574 7.050 ( -0.201 1.618 3.181) 3.574 7.139 ( -0.235 -4.957 -0.263) 4.970 7.139 ( -0.235 4.957 -0.263) 4.970 7.260 ( 1.544 -2.517 -0.756) 3.048 7.260 ( 1.544 2.517 -0.756) 3.048 7.416 ( -1.823 -1.912 3.021) 4.013 7.416 ( -1.823 1.912 3.021) 4.013 7.447 ( 3.920 -1.177 -1.514) 4.364 7.447 ( 3.920 1.177 -1.514) 4.364 7.565 ( -0.006 -2.434 -1.301) 2.760 7.565 ( -0.006 2.434 -1.301) 2.760 7.695 ( 3.923 -1.981 -2.818) 5.220 7.695 ( 3.923 1.981 -2.818) 5.220 7.808 ( 1.187 -2.506 -1.850) 3.333 7.808 ( 1.187 2.506 -1.850) 3.333 7.926 ( 0.573 -1.121 -3.131) 3.375 7.926 ( 0.573 1.121 -3.131) 3.375 8.061 ( -0.375 -3.338 0.162) 3.362 8.061 ( -0.375 3.338 0.162) 3.362 8.206 ( 0.130 -2.559 2.391) 3.504 8.206 ( 0.130 2.559 2.391) 3.504 8.412 ( 2.419 -3.047 3.287) 5.093 8.412 ( 2.419 3.047 3.287) 5.093 8.585 ( -4.204 -4.205 -0.090) 5.947 8.585 ( -4.204 4.205 -0.090) 5.947 8.794 ( -1.457 -2.201 -2.981) 3.981 8.794 ( -1.457 2.201 -2.981) 3.981 9.124 ( -0.263 -2.366 -0.297) 2.399 9.124 ( -0.263 2.366 -0.297) 2.399 9.566 ( -2.325 -4.294 -4.312) 6.515 9.566 ( -2.325 4.294 -4.312) 6.515 9.653 ( 2.593 -5.721 1.028) 6.365 9.653 ( 2.593 5.721 1.028) 6.365 10.561 ( -1.845 -2.704 3.833) 5.041 10.561 ( -1.845 2.704 3.833) 5.041 10.728 ( 1.296 -4.566 -3.079) 5.657 10.728 ( 1.296 4.566 -3.079) 5.657 11.535 ( -2.696 -6.503 4.473) 8.341 11.535 ( -2.696 6.503 4.473) 8.341 12.143 ( 2.433 -4.549 -7.386) 9.009 12.143 ( 2.433 4.549 -7.386) 9.009 12.831 ( -5.519 -6.076 10.194) 13.088 12.831 ( -5.519 6.076 10.194) 13.088 13.192 ( 3.791 -8.501 -7.215) 11.777 13.192 ( 3.791 8.501 -7.215) 11.777 15.526 ( 0.759 -0.921 -1.883) 2.230 15.526 ( 0.759 0.921 -1.883) 2.230 16.345 ( 0.676 -0.810 0.392) 1.126 16.345 ( 0.676 0.810 0.392) 1.126 17.083 ( -3.707 -1.692 4.891) 6.366 17.083 ( -3.707 1.692 4.891) 6.366 17.332 ( 2.798 -1.434 -2.748) 4.175 17.332 ( 2.798 1.434 -2.748) 4.175 17.529 ( -2.480 -2.876 -0.926) 3.909 17.529 ( -2.480 2.876 -0.926) 3.909 17.607 ( 0.818 -3.429 1.255) 3.742 17.607 ( 0.818 3.429 1.255) 3.742 17.985 ( 0.658 -1.212 0.843) 1.617 17.985 ( 0.658 1.212 0.843) 1.617 18.119 ( -0.468 -2.235 -0.372) 2.313 18.119 ( -0.468 2.235 -0.372) 2.313 18.450 ( -0.714 -3.364 1.193) 3.640 18.450 ( -0.714 3.364 1.193) 3.640 18.637 ( 0.960 -3.236 -1.729) 3.793 18.637 ( 0.960 3.236 -1.729) 3.793 20.530 ( 0.024 -0.163 0.278) 0.323 20.530 ( 0.024 0.163 0.278) 0.323 20.684 ( 0.129 -0.555 -0.646) 0.861 20.684 ( 0.129 0.555 -0.646) 0.861 21.555 ( -0.813 -0.057 1.745) 1.926 21.555 ( -0.813 0.057 1.745) 1.926 21.618 ( 0.322 -0.655 -1.663) 1.816 21.618 ( 0.322 0.655 -1.663) 1.816 27.418 ( -0.360 -0.782 0.733) 1.130 27.418 ( -0.360 0.782 0.733) 1.130 27.467 ( 0.201 -0.455 -0.657) 0.824 27.467 ( 0.201 0.455 -0.657) 0.824 27.826 ( -0.837 -0.472 0.866) 1.293 27.826 ( -0.837 0.472 0.866) 1.293 27.880 ( 0.318 -0.525 -0.453) 0.763 27.880 ( 0.318 0.525 -0.453) 0.763 35.336 ( 2.082 -3.799 1.148) 4.482 35.336 ( 2.082 3.799 1.148) 4.482 35.688 ( 3.353 -3.282 -1.169) 4.835 35.688 ( 3.353 3.282 -1.169) 4.835 36.111 ( -2.585 -3.000 2.503) 4.685 36.111 ( -2.585 3.000 2.503) 4.685 36.630 ( 0.535 -6.365 -3.617) 7.340 36.630 ( 0.535 6.365 -3.617) 7.340 39.707 ( -1.786 -2.424 4.978) 5.818 39.707 ( -1.786 2.424 4.978) 5.818 39.846 ( -0.394 -2.133 -2.128) 3.038 39.846 ( -0.394 2.133 -2.128) 3.038 41.054 ( -3.145 -5.655 6.875) 9.441 41.054 ( -3.145 5.655 6.875) 9.441 41.366 ( 3.802 -10.367 -8.134) 13.715 41.366 ( 3.802 10.367 -8.134) 13.715 ======================= Grid point 114 (63/80) ======================= q-point: (-0.60 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -3.011 -12.624 5.550) 14.115 2.064 ( -3.011 12.624 5.550) 14.115 2.334 ( -1.594 -10.946 -1.862) 11.217 2.334 ( -1.594 10.946 -1.862) 11.217 2.584 ( 0.624 -7.851 5.014) 9.336 2.584 ( 0.624 7.851 5.014) 9.336 2.645 ( 0.652 -4.280 -4.392) 6.167 2.645 ( 0.652 4.280 -4.392) 6.167 2.967 ( 1.527 -3.496 -5.480) 6.678 2.967 ( 1.527 3.496 -5.480) 6.678 3.165 ( -1.631 -3.267 1.104) 3.815 3.165 ( -1.632 3.267 1.104) 3.815 3.272 ( -2.354 -4.050 1.051) 4.801 3.272 ( -2.354 4.050 1.051) 4.801 3.375 ( -0.396 -4.246 -0.544) 4.299 3.375 ( -0.396 4.246 -0.544) 4.299 3.419 ( 0.999 -2.610 0.622) 2.863 3.419 ( 0.999 2.610 0.622) 2.863 3.695 ( -1.247 -5.128 -3.582) 6.378 3.695 ( -1.247 5.128 -3.582) 6.378 3.901 ( 3.229 -6.114 1.582) 7.093 3.901 ( 3.229 6.114 1.582) 7.093 4.025 ( -0.133 -2.466 -0.356) 2.496 4.025 ( -0.133 2.467 -0.356) 2.496 4.171 ( -1.205 -6.325 -0.288) 6.445 4.171 ( -1.205 6.325 -0.288) 6.445 4.332 ( -1.032 -1.440 -2.470) 3.040 4.332 ( -1.032 1.440 -2.470) 3.040 4.715 ( 1.208 -1.541 -1.224) 2.309 4.715 ( 1.208 1.541 -1.224) 2.309 4.776 ( -0.283 -0.404 -2.305) 2.357 4.776 ( -0.283 0.404 -2.305) 2.357 4.876 ( 0.810 -3.326 4.229) 5.441 4.876 ( 0.810 3.326 4.229) 5.441 5.052 ( -3.301 -7.142 3.712) 8.699 5.052 ( -3.301 7.142 3.712) 8.699 5.167 ( -3.173 -4.294 -3.261) 6.256 5.167 ( -3.173 4.294 -3.261) 6.256 5.357 ( 0.106 -3.397 1.453) 3.696 5.357 ( 0.106 3.397 1.453) 3.696 5.505 ( 2.447 -3.021 2.144) 4.440 5.505 ( 2.447 3.021 2.144) 4.440 5.572 ( 0.725 -0.802 5.260) 5.370 5.572 ( 0.725 0.802 5.260) 5.370 5.750 ( 4.058 -2.294 -1.239) 4.823 5.750 ( 4.058 2.294 -1.239) 4.823 6.086 ( 1.237 -3.445 -6.797) 7.719 6.086 ( 1.237 3.445 -6.797) 7.719 6.368 ( -3.334 -4.870 1.473) 6.083 6.368 ( -3.334 4.870 1.473) 6.083 6.482 ( -0.661 -4.878 1.835) 5.253 6.482 ( -0.661 4.878 1.835) 5.253 6.650 ( 0.279 -4.570 3.253) 5.617 6.650 ( 0.279 4.570 3.253) 5.617 6.848 ( -0.799 -4.182 2.536) 4.955 6.848 ( -0.799 4.182 2.536) 4.955 6.938 ( -3.456 -3.516 1.540) 5.165 6.938 ( -3.456 3.516 1.540) 5.165 7.020 ( 1.635 -2.673 -0.284) 3.146 7.020 ( 1.635 2.673 -0.284) 3.146 7.176 ( 1.068 -1.890 -1.130) 2.448 7.176 ( 1.068 1.890 -1.130) 2.448 7.279 ( -3.330 -1.170 2.464) 4.305 7.279 ( -3.330 1.170 2.464) 4.305 7.383 ( 1.157 -3.111 -1.442) 3.619 7.383 ( 1.157 3.111 -1.442) 3.619 7.526 ( 3.354 -2.108 -2.372) 4.617 7.526 ( 3.354 2.108 -2.372) 4.617 7.572 ( 4.208 -3.666 -2.565) 6.142 7.572 ( 4.208 3.666 -2.565) 6.142 7.698 ( -0.726 -0.340 -2.409) 2.539 7.698 ( -0.726 0.340 -2.409) 2.539 7.817 ( 0.038 -4.305 -3.984) 5.866 7.817 ( 0.038 4.306 -3.984) 5.866 7.879 ( -2.089 -3.855 1.112) 4.523 7.879 ( -2.089 3.855 1.112) 4.523 8.005 ( -1.992 -3.343 -3.584) 5.290 8.005 ( -1.992 3.343 -3.584) 5.290 8.218 ( -0.993 -2.376 0.537) 2.631 8.218 ( -0.993 2.376 0.537) 2.631 8.483 ( 1.422 -3.214 1.319) 3.754 8.483 ( 1.422 3.214 1.319) 3.754 8.610 ( 2.828 -2.740 4.682) 6.118 8.610 ( 2.828 2.740 4.682) 6.118 8.734 ( 0.575 -1.609 -1.343) 2.173 8.734 ( 0.575 1.609 -1.343) 2.173 9.093 ( -2.626 -3.528 -2.412) 5.016 9.093 ( -2.626 3.528 -2.412) 5.016 9.515 ( 0.833 -3.282 -1.420) 3.671 9.515 ( 0.833 3.282 -1.420) 3.671 9.688 ( 0.480 -6.108 -0.281) 6.133 9.688 ( 0.480 6.108 -0.281) 6.134 10.566 ( -1.913 -1.948 4.306) 5.098 10.566 ( -1.913 1.948 4.306) 5.099 10.722 ( 1.430 -4.395 -3.220) 5.633 10.722 ( 1.430 4.396 -3.220) 5.633 11.532 ( -2.122 -5.872 4.349) 7.609 11.532 ( -2.122 5.872 4.349) 7.609 12.131 ( 3.194 -4.548 -5.544) 7.850 12.131 ( 3.194 4.548 -5.544) 7.850 12.844 ( -4.118 -5.551 10.280) 12.388 12.844 ( -4.118 5.551 10.280) 12.388 13.187 ( 3.372 -8.928 -7.210) 11.961 13.187 ( 3.372 8.928 -7.210) 11.961 15.520 ( 0.746 -0.325 -1.981) 2.142 15.520 ( 0.746 0.325 -1.981) 2.142 16.373 ( 1.066 -0.936 1.291) 1.918 16.373 ( 1.066 0.936 1.291) 1.918 17.079 ( -2.491 -1.184 6.234) 6.817 17.079 ( -2.491 1.184 6.234) 6.817 17.350 ( 2.126 -1.380 -3.643) 4.438 17.350 ( 2.126 1.380 -3.643) 4.438 17.466 ( -2.116 -2.655 -1.618) 3.761 17.466 ( -2.116 2.655 -1.618) 3.761 17.636 ( 0.230 -3.179 1.930) 3.726 17.636 ( 0.230 3.179 1.930) 3.726 18.008 ( 0.521 -0.785 0.620) 1.127 18.008 ( 0.521 0.785 0.620) 1.127 18.110 ( 0.142 -1.441 -0.293) 1.477 18.110 ( 0.142 1.441 -0.293) 1.477 18.440 ( -1.185 -3.984 0.638) 4.205 18.440 ( -1.185 3.984 0.638) 4.205 18.635 ( 0.670 -3.255 -1.825) 3.791 18.635 ( 0.670 3.255 -1.825) 3.792 20.536 ( 0.113 -0.053 0.546) 0.560 20.536 ( 0.113 0.053 0.546) 0.560 20.673 ( -0.172 -0.292 -1.201) 1.248 20.673 ( -0.172 0.292 -1.201) 1.248 21.553 ( -1.086 -0.146 1.538) 1.888 21.553 ( -1.086 0.146 1.538) 1.888 21.610 ( 0.676 -0.362 -1.551) 1.731 21.610 ( 0.676 0.362 -1.551) 1.731 27.419 ( -0.399 -1.113 0.828) 1.443 27.419 ( -0.399 1.113 0.828) 1.443 27.465 ( 0.366 -0.551 -0.669) 0.941 27.465 ( 0.366 0.551 -0.669) 0.941 27.821 ( -0.624 -0.296 1.006) 1.220 27.821 ( -0.624 0.296 1.006) 1.220 27.879 ( 0.195 -0.418 -0.598) 0.755 27.879 ( 0.195 0.418 -0.598) 0.755 35.392 ( 1.417 -3.123 1.788) 3.867 35.392 ( 1.417 3.123 1.788) 3.867 35.730 ( 2.550 -2.867 -2.761) 4.727 35.730 ( 2.550 2.867 -2.761) 4.727 36.086 ( -3.028 -3.679 3.923) 6.172 36.086 ( -3.028 3.679 3.923) 6.172 36.596 ( 0.808 -7.127 -4.872) 8.671 36.596 ( 0.808 7.127 -4.872) 8.671 39.725 ( -1.833 -1.719 5.117) 5.701 39.725 ( -1.833 1.719 5.117) 5.701 39.838 ( 1.100 -2.008 -0.658) 2.382 39.838 ( 1.100 2.008 -0.658) 2.382 41.027 ( -4.586 -3.772 3.580) 6.934 41.027 ( -4.586 3.772 3.580) 6.934 41.382 ( 4.704 -8.801 -5.642) 11.464 41.382 ( 4.704 8.801 -5.642) 11.464 ======================= Grid point 116 (64/80) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 2.118 -11.343 4.396) 12.348 2.106 ( 2.118 11.343 4.396) 12.348 2.286 ( -1.629 -8.578 -0.190) 8.734 2.286 ( -1.629 8.578 -0.190) 8.734 2.538 ( -5.142 -9.918 0.933) 11.210 2.538 ( -5.142 9.918 0.933) 11.210 2.711 ( 2.537 -3.055 3.003) 4.979 2.711 ( 2.537 3.055 3.003) 4.979 2.906 ( 0.052 -3.134 -6.955) 7.628 2.906 ( 0.052 3.134 -6.955) 7.628 3.181 ( 2.881 -5.187 -0.093) 5.934 3.181 ( 2.881 5.187 -0.093) 5.934 3.254 ( -0.923 -0.611 0.334) 1.156 3.254 ( -0.923 0.611 0.334) 1.156 3.351 ( -0.226 -2.259 -0.985) 2.475 3.351 ( -0.226 2.259 -0.985) 2.475 3.493 ( 3.051 -5.159 1.376) 6.150 3.493 ( 3.051 5.159 1.376) 6.150 3.660 ( 2.874 -2.185 -3.140) 4.785 3.660 ( 2.874 2.185 -3.140) 4.785 3.936 ( -2.686 -6.151 -1.102) 6.802 3.936 ( -2.686 6.151 -1.102) 6.802 4.001 ( -0.178 -3.754 0.359) 3.775 4.001 ( -0.178 3.754 0.359) 3.775 4.162 ( -0.296 -2.406 1.756) 2.993 4.162 ( -0.296 2.406 1.756) 2.993 4.292 ( -0.784 -1.801 -0.481) 2.022 4.292 ( -0.784 1.801 -0.481) 2.022 4.655 ( -6.050 -1.490 0.523) 6.252 4.655 ( -6.050 1.490 0.523) 6.252 4.811 ( 0.206 -1.124 2.040) 2.338 4.811 ( 0.206 1.124 2.040) 2.338 4.829 ( -2.559 -0.993 -0.938) 2.901 4.829 ( -2.559 0.993 -0.938) 2.901 5.062 ( -1.973 -1.333 0.879) 2.538 5.062 ( -1.973 1.333 0.879) 2.538 5.134 ( 4.868 -2.239 -0.008) 5.358 5.134 ( 4.868 2.239 -0.008) 5.358 5.354 ( -1.245 -1.911 1.325) 2.638 5.354 ( -1.245 1.911 1.325) 2.638 5.559 ( 1.177 -3.424 0.747) 3.697 5.559 ( 1.177 3.424 0.747) 3.697 5.671 ( 3.837 -1.262 2.747) 4.885 5.671 ( 3.837 1.262 2.747) 4.885 5.789 ( 0.140 -3.606 -0.494) 3.642 5.789 ( 0.140 3.606 -0.494) 3.642 6.041 ( 2.015 -1.553 -7.657) 8.069 6.041 ( 2.015 1.553 -7.657) 8.069 6.352 ( -0.698 -1.409 4.073) 4.366 6.352 ( -0.698 1.409 4.073) 4.366 6.468 ( -3.304 -4.882 1.588) 6.105 6.468 ( -3.304 4.882 1.588) 6.105 6.682 ( -0.558 -3.848 4.390) 5.864 6.682 ( -0.558 3.848 4.390) 5.864 6.796 ( -3.533 -2.131 -2.634) 4.895 6.796 ( -3.533 2.131 -2.634) 4.895 6.920 ( -3.924 -1.289 3.623) 5.495 6.920 ( -3.924 1.289 3.623) 5.495 7.070 ( 0.501 -3.090 1.891) 3.657 7.070 ( 0.501 3.090 1.891) 3.657 7.102 ( -2.589 -1.059 -1.809) 3.331 7.102 ( -2.589 1.059 -1.809) 3.331 7.264 ( -0.900 -0.714 4.106) 4.263 7.264 ( -0.900 0.714 4.106) 4.263 7.405 ( 1.204 -2.938 -1.176) 3.386 7.405 ( 1.204 2.938 -1.176) 3.386 7.543 ( 1.692 -5.198 -4.425) 7.033 7.543 ( 1.692 5.198 -4.425) 7.033 7.600 ( -1.000 -1.724 -0.779) 2.140 7.600 ( -1.000 1.724 -0.779) 2.140 7.671 ( 3.222 -2.687 -2.656) 4.965 7.671 ( 3.222 2.687 -2.656) 4.965 7.778 ( 0.334 -3.078 -3.095) 4.378 7.778 ( 0.334 3.078 -3.095) 4.378 7.866 ( 0.452 -3.961 0.431) 4.010 7.866 ( 0.452 3.961 0.431) 4.010 7.968 ( -0.554 -2.186 -1.732) 2.843 7.968 ( -0.554 2.186 -1.732) 2.843 8.197 ( -0.919 -2.243 1.634) 2.923 8.197 ( -0.919 2.243 1.634) 2.923 8.496 ( -0.070 -1.406 -0.066) 1.409 8.496 ( -0.070 1.406 -0.066) 1.409 8.646 ( -2.681 -3.067 2.081) 4.574 8.646 ( -2.681 3.067 2.081) 4.574 8.813 ( 4.222 -3.239 -1.323) 5.483 8.813 ( 4.222 3.239 -1.323) 5.483 9.031 ( 1.444 -1.767 -1.067) 2.519 9.031 ( 1.444 1.767 -1.067) 2.519 9.527 ( -0.205 -0.964 -0.664) 1.188 9.527 ( -0.205 0.964 -0.664) 1.188 9.694 ( 2.239 -3.726 -1.759) 4.690 9.694 ( 2.239 3.726 -1.759) 4.690 10.570 ( -2.140 -1.348 4.123) 4.837 10.570 ( -2.140 1.348 4.123) 4.837 10.722 ( 1.888 -2.495 -2.989) 4.327 10.722 ( 1.888 2.495 -2.989) 4.327 11.538 ( -1.635 -6.918 3.739) 8.032 11.538 ( -1.635 6.918 3.739) 8.032 12.154 ( 4.815 -4.095 -5.638) 8.470 12.154 ( 4.815 4.095 -5.638) 8.470 12.867 ( -4.018 -6.150 9.348) 11.889 12.867 ( -4.018 6.150 9.348) 11.889 13.181 ( 3.632 -8.857 -7.173) 11.962 13.181 ( 3.632 8.857 -7.173) 11.962 15.516 ( 0.857 -1.171 -1.858) 2.357 15.516 ( 0.857 1.171 -1.858) 2.357 16.394 ( -0.146 -1.118 0.576) 1.266 16.394 ( -0.146 1.118 0.576) 1.267 17.107 ( -1.672 -0.585 6.674) 6.905 17.107 ( -1.672 0.585 6.674) 6.905 17.335 ( 1.200 -3.428 -5.177) 6.324 17.335 ( 1.200 3.428 -5.177) 6.324 17.435 ( -0.164 -1.091 0.163) 1.116 17.435 ( -0.164 1.091 0.163) 1.116 17.656 ( 0.184 -1.672 1.267) 2.106 17.656 ( 0.184 1.672 1.267) 2.106 18.006 ( -1.295 -1.231 0.609) 1.888 18.006 ( -1.295 1.231 0.609) 1.888 18.121 ( 1.199 -1.138 -0.621) 1.766 18.121 ( 1.199 1.138 -0.621) 1.766 18.425 ( -0.898 -2.475 0.933) 2.793 18.425 ( -0.898 2.475 0.933) 2.793 18.629 ( 0.553 -3.296 -1.503) 3.664 18.629 ( 0.553 3.296 -1.503) 3.664 20.541 ( -0.171 -0.278 0.483) 0.583 20.541 ( -0.171 0.278 0.483) 0.583 20.660 ( 0.191 -0.232 -0.922) 0.970 20.660 ( 0.191 0.232 -0.922) 0.970 21.547 ( -1.072 -0.269 1.506) 1.868 21.547 ( -1.072 0.269 1.506) 1.868 21.614 ( 1.233 -0.560 -1.439) 1.976 21.614 ( 1.233 0.560 -1.439) 1.976 27.419 ( -0.422 -1.021 0.806) 1.368 27.419 ( -0.422 1.021 0.806) 1.368 27.467 ( 0.514 -0.714 -0.717) 1.136 27.467 ( 0.514 0.714 -0.717) 1.136 27.823 ( -0.224 -0.405 0.993) 1.096 27.823 ( -0.224 0.405 0.993) 1.096 27.877 ( 0.170 -0.770 -0.563) 0.969 27.877 ( 0.170 0.770 -0.563) 0.969 35.398 ( -2.716 -2.394 1.677) 3.990 35.398 ( -2.716 2.394 1.677) 3.990 35.733 ( 0.967 -3.104 -3.329) 4.653 35.733 ( 0.967 3.104 -3.329) 4.653 36.069 ( -3.361 -3.460 5.051) 6.984 36.069 ( -3.361 3.460 5.051) 6.984 36.586 ( 3.501 -7.531 -4.777) 9.581 36.586 ( 3.501 7.531 -4.777) 9.581 39.725 ( -3.024 -0.775 4.122) 5.170 39.725 ( -3.024 0.775 4.122) 5.170 39.876 ( 3.137 -3.607 -0.772) 4.842 39.876 ( 3.137 3.607 -0.772) 4.842 40.976 ( -4.234 -3.766 4.127) 7.010 40.976 ( -4.234 3.766 4.127) 7.010 41.414 ( 4.273 -7.326 -5.687) 10.211 41.414 ( 4.273 7.326 -5.687) 10.211 ======================= Grid point 118 (65/80) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 0.995 -14.423 3.732) 14.931 2.197 ( 0.995 14.423 3.732) 14.931 2.291 ( 1.079 -11.218 3.273) 11.736 2.291 ( 1.079 11.219 3.273) 11.736 2.459 ( -4.491 -5.319 3.182) 7.654 2.459 ( -4.491 5.319 3.182) 7.654 2.712 ( 0.532 -5.636 -6.084) 8.310 2.712 ( 0.532 5.636 -6.084) 8.310 2.909 ( 3.933 -4.224 -1.567) 5.980 2.909 ( 3.933 4.224 -1.567) 5.980 3.210 ( -2.604 -2.199 0.598) 3.460 3.210 ( -2.604 2.199 0.598) 3.460 3.262 ( 2.962 -0.804 0.644) 3.136 3.262 ( 2.962 0.804 0.644) 3.136 3.361 ( 1.087 -2.206 1.682) 2.979 3.361 ( 1.087 2.206 1.682) 2.979 3.537 ( 3.165 -4.951 -1.707) 6.119 3.537 ( 3.165 4.951 -1.707) 6.119 3.724 ( 1.976 -3.484 -4.344) 5.909 3.724 ( 1.976 3.484 -4.344) 5.909 3.847 ( -1.242 -5.493 1.412) 5.806 3.847 ( -1.242 5.493 1.412) 5.806 4.002 ( -0.635 -5.165 0.243) 5.209 4.002 ( -0.635 5.165 0.243) 5.209 4.166 ( -1.466 -7.988 0.278) 8.127 4.166 ( -1.466 7.988 0.278) 8.127 4.301 ( 0.418 -2.437 2.156) 3.281 4.301 ( 0.418 2.437 2.156) 3.281 4.575 ( -2.952 -0.355 4.084) 5.051 4.575 ( -2.952 0.355 4.084) 5.051 4.736 ( -4.342 -1.159 2.863) 5.329 4.736 ( -4.342 1.159 2.863) 5.329 4.863 ( 1.640 -1.592 -2.899) 3.692 4.863 ( 1.640 1.592 -2.899) 3.692 5.062 ( 0.525 -2.003 4.428) 4.888 5.062 ( 0.525 2.003 4.428) 4.888 5.223 ( 2.015 -2.721 0.495) 3.421 5.223 ( 2.015 2.721 0.495) 3.421 5.343 ( -1.349 -2.526 -0.193) 2.870 5.343 ( -1.349 2.526 -0.193) 2.870 5.553 ( -1.533 -5.539 -3.134) 6.546 5.553 ( -1.533 5.539 -3.134) 6.546 5.701 ( 0.778 -1.395 -5.731) 5.949 5.701 ( 0.778 1.395 -5.731) 5.949 5.768 ( -1.961 -4.485 2.942) 5.711 5.768 ( -1.961 4.485 2.942) 5.711 6.019 ( 2.234 -1.216 -4.957) 5.572 6.019 ( 2.234 1.216 -4.957) 5.572 6.399 ( 0.488 -6.024 0.946) 6.118 6.399 ( 0.488 6.024 0.946) 6.118 6.454 ( 2.429 -2.107 3.702) 4.903 6.454 ( 2.429 2.107 3.702) 4.903 6.704 ( -2.295 -3.693 2.678) 5.107 6.704 ( -2.295 3.693 2.678) 5.107 6.738 ( -2.927 -1.826 1.221) 3.659 6.738 ( -2.927 1.826 1.221) 3.659 6.826 ( -2.118 -3.505 2.466) 4.780 6.826 ( -2.118 3.505 2.466) 4.780 7.052 ( -3.627 -2.838 4.857) 6.693 7.052 ( -3.627 2.838 4.857) 6.693 7.109 ( -0.445 -2.561 -0.233) 2.609 7.109 ( -0.445 2.561 -0.233) 2.609 7.301 ( 2.612 -4.713 -0.343) 5.399 7.301 ( 2.612 4.713 -0.343) 5.399 7.410 ( -0.774 -0.768 0.768) 1.334 7.410 ( -0.774 0.768 0.768) 1.334 7.521 ( -2.348 -0.522 1.196) 2.686 7.521 ( -2.348 0.522 1.196) 2.686 7.581 ( 3.207 -2.345 -5.015) 6.398 7.581 ( 3.207 2.345 -5.015) 6.398 7.655 ( -3.141 -5.530 -3.658) 7.337 7.655 ( -3.141 5.530 -3.658) 7.337 7.787 ( 2.115 -2.213 1.327) 3.337 7.787 ( 2.115 2.213 1.327) 3.337 7.899 ( 0.878 -1.548 -1.931) 2.626 7.899 ( 0.878 1.548 -1.931) 2.626 7.960 ( 2.582 -4.907 1.998) 5.894 7.960 ( 2.582 4.907 1.998) 5.894 8.222 ( -0.339 -3.275 2.094) 3.902 8.222 ( -0.339 3.275 2.094) 3.902 8.438 ( -6.112 -1.200 1.027) 6.313 8.438 ( -6.112 1.200 1.027) 6.313 8.631 ( 2.672 -1.982 -1.828) 3.796 8.631 ( 2.672 1.982 -1.828) 3.796 8.823 ( 0.913 -4.657 -3.092) 5.664 8.823 ( 0.913 4.657 -3.092) 5.664 9.119 ( 4.342 -3.162 0.694) 5.416 9.119 ( 4.342 3.162 0.694) 5.416 9.503 ( -0.025 -2.538 -0.726) 2.640 9.503 ( -0.025 2.538 -0.726) 2.640 9.719 ( 1.610 -6.825 -2.898) 7.588 9.719 ( 1.610 6.825 -2.898) 7.588 10.567 ( -2.146 -2.491 3.558) 4.844 10.567 ( -2.146 2.491 3.558) 4.844 10.730 ( 1.831 -2.247 -2.906) 4.105 10.730 ( 1.831 2.247 -2.906) 4.105 11.542 ( -1.763 -7.967 3.514) 8.884 11.542 ( -1.763 7.967 3.514) 8.884 12.184 ( 4.701 -3.505 -7.464) 9.492 12.184 ( 4.701 3.505 -7.464) 9.492 12.871 ( -4.997 -7.264 8.587) 12.307 12.871 ( -4.997 7.264 8.587) 12.307 13.182 ( 3.934 -8.387 -7.257) 11.768 13.182 ( 3.934 8.387 -7.257) 11.768 15.517 ( 1.088 -2.743 -1.583) 3.348 15.517 ( 1.088 2.743 -1.583) 3.348 16.378 ( -1.245 -1.095 -0.725) 1.810 16.378 ( -1.245 1.095 -0.725) 1.810 17.128 ( -2.599 -1.301 5.103) 5.873 17.128 ( -2.599 1.301 5.103) 5.873 17.310 ( 1.329 -3.499 -4.071) 5.530 17.310 ( 1.329 3.499 -4.071) 5.530 17.462 ( 2.068 -0.982 1.390) 2.678 17.462 ( 2.068 0.982 1.390) 2.678 17.659 ( -0.739 -0.635 -0.098) 0.979 17.659 ( -0.739 0.635 -0.098) 0.979 17.983 ( -1.531 -1.648 0.877) 2.415 17.983 ( -1.531 1.648 0.877) 2.415 18.133 ( 0.670 -2.069 -0.837) 2.330 18.133 ( 0.670 2.069 -0.837) 2.330 18.429 ( -0.280 -1.200 1.815) 2.194 18.429 ( -0.280 1.200 1.815) 2.194 18.628 ( 0.812 -3.575 -1.358) 3.910 18.628 ( 0.812 3.575 -1.358) 3.910 20.537 ( -0.452 -0.500 0.072) 0.678 20.537 ( -0.452 0.500 0.072) 0.678 20.665 ( 0.737 -0.654 -0.085) 0.989 20.665 ( 0.737 0.654 -0.085) 0.989 21.545 ( -0.774 -0.297 1.707) 1.898 21.545 ( -0.774 0.297 1.707) 1.898 21.624 ( 1.213 -0.942 -1.502) 2.148 21.624 ( 1.213 0.942 -1.502) 2.148 27.419 ( -0.399 -0.597 0.695) 0.999 27.419 ( -0.399 0.597 0.695) 0.999 27.469 ( 0.450 -0.763 -0.726) 1.145 27.469 ( 0.450 0.763 -0.726) 1.145 27.830 ( -0.104 -0.687 0.841) 1.090 27.830 ( -0.104 0.687 0.841) 1.090 27.876 ( 0.205 -1.076 -0.398) 1.165 27.876 ( 0.205 1.076 -0.398) 1.165 35.345 ( -3.332 -3.423 0.888) 4.859 35.345 ( -3.332 3.423 0.888) 4.859 35.692 ( -2.130 -4.642 -1.679) 5.376 35.692 ( -2.130 4.642 -1.679) 5.376 36.079 ( -0.343 -2.641 4.057) 4.853 36.079 ( -0.343 2.641 4.057) 4.853 36.621 ( 3.733 -7.045 -3.501) 8.708 36.621 ( 3.733 7.045 -3.501) 8.708 39.704 ( -2.768 -1.137 3.499) 4.604 39.704 ( -2.768 1.137 3.499) 4.604 39.911 ( 1.752 -5.299 -2.644) 6.176 39.911 ( 1.752 5.299 -2.644) 6.176 40.965 ( -2.521 -8.111 7.089) 11.063 40.965 ( -2.521 8.111 7.089) 11.063 41.422 ( 3.244 -8.209 -7.341) 11.481 41.422 ( 3.244 8.209 -7.341) 11.481 ======================= Grid point 135 (66/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -1.024 0.000 -21.848) 21.872 1.525 ( 1.024 0.000 21.848) 21.872 1.533 ( -0.566 0.000 -22.402) 22.409 1.533 ( 0.566 0.000 22.402) 22.409 2.148 ( 7.341 0.000 -11.201) 13.392 2.148 ( -7.341 0.000 11.201) 13.392 2.723 ( -7.833 0.000 -1.411) 7.959 2.723 ( 7.833 0.000 1.411) 7.959 2.908 ( 4.641 0.000 -7.208) 8.573 2.908 ( -4.641 0.000 7.208) 8.573 2.977 ( -1.206 0.000 -7.996) 8.087 2.977 ( 1.206 0.000 7.996) 8.087 3.153 ( -1.305 0.000 -0.727) 1.494 3.153 ( 1.305 0.000 0.727) 1.494 3.322 ( 3.981 0.000 -5.128) 6.492 3.322 ( -3.981 0.000 5.128) 6.492 3.477 ( 3.893 0.000 -3.805) 5.444 3.477 ( -3.893 0.000 3.805) 5.444 3.539 ( 2.872 0.000 -2.378) 3.728 3.539 ( -2.872 0.000 2.378) 3.728 3.691 ( 4.642 0.000 -2.544) 5.293 3.691 ( -4.642 0.000 2.544) 5.293 3.856 ( 3.022 0.000 -10.168) 10.608 3.856 ( -3.022 0.000 10.168) 10.608 4.141 ( -1.631 0.000 -2.079) 2.643 4.141 ( 1.631 0.000 2.079) 2.643 4.261 ( -1.680 0.000 -7.118) 7.314 4.261 ( 1.680 0.000 7.118) 7.314 4.307 ( 3.209 0.000 -4.946) 5.896 4.307 ( -3.209 0.000 4.946) 5.896 4.705 ( 3.879 0.000 -2.034) 4.380 4.705 ( -3.879 0.000 2.034) 4.380 4.770 ( -1.714 0.000 -1.858) 2.528 4.770 ( 1.714 0.000 1.858) 2.528 5.193 ( -0.433 0.000 -8.115) 8.127 5.193 ( 0.433 0.000 8.115) 8.127 5.388 ( -0.270 0.000 -7.877) 7.882 5.388 ( 0.270 0.000 7.877) 7.882 5.495 ( -0.868 0.000 -5.855) 5.919 5.495 ( 0.868 0.000 5.855) 5.919 5.607 ( 1.146 0.000 -6.286) 6.389 5.607 ( -1.146 0.000 6.286) 6.389 5.772 ( -3.074 0.000 -2.557) 3.998 5.772 ( 3.074 0.000 2.557) 3.998 5.879 ( -0.967 0.000 -1.411) 1.711 5.879 ( 0.967 0.000 1.411) 1.711 6.136 ( 2.372 0.000 -2.228) 3.254 6.136 ( -2.372 0.000 2.228) 3.254 6.256 ( -2.711 0.000 -0.532) 2.763 6.256 ( 2.711 0.000 0.532) 2.763 6.408 ( 0.670 0.000 -2.887) 2.964 6.408 ( -0.670 0.000 2.887) 2.964 6.633 ( -1.210 0.000 -3.537) 3.738 6.633 ( 1.210 0.000 3.537) 3.738 6.696 ( 6.835 0.000 -4.177) 8.010 6.696 ( -6.835 0.000 4.177) 8.010 6.856 ( -0.282 0.000 -3.285) 3.297 6.856 ( 0.282 0.000 3.285) 3.297 6.954 ( 1.237 0.000 -5.068) 5.216 6.954 ( -1.237 0.000 5.068) 5.216 7.026 ( -1.852 0.000 0.174) 1.861 7.026 ( 1.852 0.000 -0.174) 1.861 7.305 ( -2.823 0.000 -2.990) 4.112 7.305 ( 2.823 0.000 2.990) 4.112 7.316 ( 2.576 0.000 -1.797) 3.141 7.316 ( -2.576 0.000 1.797) 3.141 7.487 ( 2.133 0.000 -3.045) 3.718 7.487 ( -2.133 0.000 3.045) 3.718 7.728 ( -8.130 0.000 -4.879) 9.481 7.728 ( 8.130 0.000 4.879) 9.481 7.759 ( 6.409 0.000 -3.737) 7.419 7.759 ( -6.409 0.000 3.737) 7.419 7.913 ( -7.628 0.000 -1.968) 7.878 7.913 ( 7.628 0.000 1.968) 7.878 8.017 ( -2.979 0.000 -1.113) 3.180 8.017 ( 2.979 0.000 1.113) 3.180 8.074 ( 2.822 0.000 -3.290) 4.334 8.074 ( -2.822 0.000 3.290) 4.334 8.225 ( 7.060 0.000 -11.610) 13.588 8.225 ( -7.060 0.000 11.610) 13.588 8.416 ( 3.030 0.000 -4.925) 5.782 8.416 ( -3.030 0.000 4.925) 5.782 8.621 ( 0.392 0.000 -3.141) 3.165 8.621 ( -0.392 0.000 3.141) 3.165 9.020 ( -4.404 0.000 1.312) 4.596 9.020 ( 4.404 0.000 -1.312) 4.596 9.077 ( -6.086 0.000 0.164) 6.088 9.077 ( 6.086 0.000 -0.164) 6.088 9.300 ( 6.030 0.000 -11.527) 13.009 9.300 ( -6.030 0.000 11.527) 13.009 9.832 ( -1.499 0.000 -6.212) 6.390 9.832 ( 1.499 0.000 6.212) 6.390 10.102 ( -3.323 0.000 -3.667) 4.949 10.102 ( 3.323 0.000 3.667) 4.949 10.711 ( -1.614 0.000 -0.775) 1.791 10.711 ( 1.614 0.000 0.775) 1.791 11.344 ( 3.232 0.000 -6.901) 7.620 11.344 ( -3.232 0.000 6.901) 7.620 12.358 ( 9.189 0.000 -11.215) 14.499 12.358 ( -9.189 0.000 11.215) 14.499 12.679 ( -1.461 0.000 -0.150) 1.469 12.679 ( 1.461 0.000 0.150) 1.469 13.689 ( -4.010 0.000 -1.387) 4.243 13.689 ( 4.010 0.000 1.387) 4.243 15.380 ( 7.485 0.000 -7.743) 10.769 15.380 ( -7.485 0.000 7.743) 10.769 16.314 ( -0.651 0.000 -2.105) 2.203 16.314 ( 0.651 0.000 2.105) 2.203 17.183 ( 0.970 0.000 -2.230) 2.432 17.183 ( -0.970 0.000 2.230) 2.432 17.227 ( 1.078 0.000 -2.982) 3.171 17.227 ( -1.078 0.000 2.982) 3.171 17.472 ( 1.623 0.000 -0.794) 1.806 17.472 ( -1.623 0.000 0.794) 1.806 17.784 ( 0.210 0.000 -2.017) 2.027 17.784 ( -0.210 0.000 2.017) 2.027 17.934 ( 3.528 0.000 -1.614) 3.879 17.934 ( -3.528 0.000 1.614) 3.879 18.220 ( 0.522 0.000 -2.909) 2.956 18.220 ( -0.522 0.000 2.909) 2.956 18.571 ( 1.224 0.000 -1.649) 2.054 18.571 ( -1.224 0.000 1.649) 2.054 18.966 ( 2.450 0.000 -3.528) 4.296 18.966 ( -2.450 0.000 3.528) 4.296 20.621 ( -1.152 0.000 0.041) 1.152 20.621 ( 1.152 0.000 -0.041) 1.152 20.796 ( 1.334 0.000 -3.702) 3.935 20.796 ( -1.334 0.000 3.702) 3.935 21.514 ( 0.584 0.000 -0.694) 0.907 21.514 ( -0.584 0.000 0.694) 0.907 21.534 ( 0.687 0.000 -1.121) 1.314 21.534 ( -0.687 0.000 1.121) 1.314 27.442 ( -0.317 0.000 -0.543) 0.629 27.442 ( 0.317 0.000 0.543) 0.629 27.453 ( 3.116 0.000 -1.139) 3.318 27.453 ( -3.116 0.000 1.139) 3.318 27.743 ( -0.144 0.000 -0.128) 0.193 27.743 ( 0.144 0.000 0.128) 0.193 27.834 ( 0.063 0.000 -0.236) 0.244 27.834 ( -0.063 0.000 0.236) 0.244 35.219 ( -4.923 0.000 0.772) 4.983 35.219 ( 4.923 0.000 -0.772) 4.983 35.718 ( -1.157 0.000 -1.575) 1.954 35.718 ( 1.157 0.000 1.575) 1.954 36.122 ( 0.231 0.000 -0.828) 0.859 36.122 ( -0.231 0.000 0.828) 0.859 36.725 ( -2.731 0.000 -3.388) 4.352 36.725 ( 2.731 0.000 3.388) 4.352 39.939 ( 6.223 0.000 -11.269) 12.874 39.939 ( -6.223 0.000 11.269) 12.874 40.123 ( -15.785 0.000 -2.762) 16.025 40.123 ( 15.785 0.000 2.762) 16.025 40.540 ( -9.057 0.000 2.383) 9.365 40.540 ( 9.057 0.000 -2.383) 9.365 41.489 ( -0.589 0.000 -5.859) 5.889 41.489 ( 0.589 0.000 5.859) 5.889 ======================= Grid point 137 (67/80) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 7.890 0.000 -24.043) 25.305 1.410 ( 11.459 0.000 -23.429) 26.081 1.759 ( -3.926 0.000 15.689) 16.173 1.822 ( 3.517 0.000 11.712) 12.229 2.012 ( -9.876 0.000 11.044) 14.815 2.070 ( 10.567 0.000 -20.570) 23.126 2.599 ( -5.763 0.000 5.930) 8.269 2.796 ( -1.499 0.000 3.884) 4.163 2.830 ( -2.167 0.000 -9.639) 9.880 2.884 ( -6.968 0.000 3.196) 7.666 2.970 ( 4.479 0.000 -4.217) 6.152 3.037 ( 0.320 0.000 1.880) 1.908 3.188 ( 3.837 0.000 3.385) 5.116 3.190 ( 1.072 0.000 0.213) 1.093 3.267 ( -5.719 0.000 1.101) 5.824 3.330 ( 0.880 0.000 -2.150) 2.323 3.453 ( -1.900 0.000 3.982) 4.412 3.511 ( 2.981 0.000 -2.241) 3.730 3.542 ( 0.154 0.000 3.467) 3.471 3.575 ( 3.102 0.000 -3.655) 4.793 3.635 ( 0.155 0.000 -1.405) 1.414 3.747 ( 6.929 0.000 -5.841) 9.063 3.888 ( 5.152 0.000 -5.263) 7.365 4.000 ( 0.575 0.000 15.231) 15.242 4.085 ( -2.201 0.000 0.633) 2.290 4.135 ( -1.213 0.000 -1.011) 1.579 4.202 ( -2.937 0.000 1.961) 3.531 4.297 ( 0.331 0.000 -1.889) 1.918 4.314 ( 0.763 0.000 1.517) 1.698 4.370 ( 2.524 0.000 1.851) 3.130 4.641 ( -4.613 0.000 3.875) 6.025 4.722 ( 0.997 0.000 -3.634) 3.768 4.740 ( 0.732 0.000 -1.243) 1.442 4.811 ( 0.222 0.000 1.445) 1.462 5.127 ( 2.083 0.000 -5.549) 5.927 5.256 ( -3.778 0.000 10.189) 10.867 5.365 ( 2.599 0.000 -5.669) 6.236 5.390 ( -3.798 0.000 -2.583) 4.593 5.515 ( -3.289 0.000 8.982) 9.565 5.535 ( -2.919 0.000 -4.543) 5.400 5.536 ( 1.966 0.000 1.339) 2.378 5.644 ( 0.005 0.000 6.412) 6.412 5.679 ( -0.914 0.000 -2.937) 3.076 5.770 ( -3.902 0.000 0.332) 3.916 5.839 ( -8.232 0.000 2.180) 8.516 5.884 ( 2.690 0.000 -0.606) 2.757 6.085 ( 0.148 0.000 -6.517) 6.519 6.092 ( 2.578 0.000 -2.943) 3.912 6.274 ( 5.296 0.000 0.739) 5.347 6.346 ( 3.750 0.000 4.293) 5.700 6.445 ( -0.282 0.000 -0.510) 0.582 6.461 ( 1.887 0.000 -0.640) 1.993 6.570 ( -7.134 0.000 2.832) 7.676 6.592 ( 2.676 0.000 -3.585) 4.474 6.734 ( 1.715 0.000 4.320) 4.648 6.752 ( 3.034 0.000 -6.483) 7.158 6.809 ( 1.756 0.000 -7.278) 7.487 6.916 ( 0.157 0.000 2.768) 2.772 6.977 ( 0.356 0.000 5.111) 5.123 6.982 ( 0.653 0.000 1.799) 1.914 7.028 ( 4.255 0.000 -0.970) 4.364 7.073 ( 3.297 0.000 -1.267) 3.532 7.220 ( -1.294 0.000 -2.246) 2.593 7.289 ( -3.850 0.000 1.867) 4.279 7.349 ( -0.787 0.000 -0.193) 0.810 7.350 ( 0.594 0.000 -0.293) 0.663 7.445 ( -3.031 0.000 1.098) 3.224 7.489 ( 3.893 0.000 -4.963) 6.308 7.567 ( -5.229 0.000 -1.634) 5.478 7.604 ( -7.081 0.000 4.040) 8.152 7.779 ( 3.034 0.000 -4.882) 5.748 7.791 ( -4.889 0.000 -5.140) 7.094 7.885 ( 2.318 0.000 1.799) 2.935 7.956 ( -7.498 0.000 0.062) 7.498 7.966 ( -6.009 0.000 5.152) 7.915 8.014 ( -0.323 0.000 -5.416) 5.426 8.105 ( 3.873 0.000 10.090) 10.808 8.169 ( 9.043 0.000 -0.758) 9.075 8.236 ( -3.608 0.000 10.697) 11.289 8.273 ( 4.525 0.000 -4.257) 6.213 8.396 ( 0.623 0.000 -7.320) 7.346 8.424 ( -1.401 0.000 4.023) 4.260 8.613 ( 2.803 0.000 -4.423) 5.236 8.662 ( 1.970 0.000 1.039) 2.227 8.911 ( -3.492 0.000 6.801) 7.645 8.928 ( -8.367 0.000 -1.147) 8.445 8.988 ( -5.436 0.000 -5.116) 7.465 9.147 ( -1.234 0.000 -5.819) 5.948 9.310 ( -2.709 0.000 8.415) 8.841 9.351 ( 11.224 0.000 -10.816) 15.587 9.806 ( 3.146 0.000 1.895) 3.673 9.875 ( -3.377 0.000 7.279) 8.025 10.073 ( 1.301 0.000 -2.106) 2.475 10.327 ( 8.772 0.000 13.160) 15.815 10.621 ( -4.724 0.000 -6.852) 8.323 10.730 ( 2.003 0.000 -3.306) 3.866 11.335 ( 3.199 0.000 -7.097) 7.785 11.346 ( -3.542 0.000 6.338) 7.261 12.306 ( -6.595 0.000 10.482) 12.384 12.394 ( 7.258 0.000 -13.775) 15.570 12.685 ( 0.564 0.000 2.833) 2.889 12.740 ( 3.295 0.000 1.645) 3.683 13.611 ( -4.808 0.000 4.094) 6.315 13.761 ( -0.447 0.000 4.369) 4.392 15.267 ( -9.110 0.000 4.305) 10.076 15.378 ( 1.718 0.000 -9.744) 9.894 16.303 ( 0.955 0.000 -0.579) 1.117 16.355 ( 0.626 0.000 2.374) 2.455 17.109 ( -3.513 0.000 -1.523) 3.829 17.121 ( -4.815 0.000 1.685) 5.101 17.290 ( 5.754 0.000 -2.871) 6.430 17.294 ( 1.501 0.000 4.610) 4.848 17.466 ( 0.237 0.000 0.681) 0.721 17.492 ( 1.891 0.000 -2.979) 3.529 17.743 ( -2.547 0.000 -1.028) 2.746 17.771 ( -3.483 0.000 2.573) 4.331 17.931 ( 1.743 0.000 0.739) 1.893 18.025 ( 6.553 0.000 -0.791) 6.600 18.171 ( -2.325 0.000 -3.230) 3.980 18.219 ( -2.428 0.000 3.141) 3.970 18.580 ( -0.281 0.000 3.510) 3.521 18.592 ( 1.798 0.000 0.219) 1.811 18.954 ( -1.858 0.000 1.746) 2.550 18.967 ( 2.230 0.000 -6.208) 6.597 20.598 ( -1.360 0.000 0.189) 1.373 20.641 ( 0.977 0.000 -0.033) 0.977 20.746 ( -5.672 0.000 -0.226) 5.676 20.751 ( -1.555 0.000 -3.201) 3.559 21.508 ( -0.883 0.000 1.191) 1.482 21.514 ( 0.194 0.000 -0.652) 0.681 21.531 ( -0.573 0.000 0.703) 0.907 21.532 ( 0.333 0.000 -1.348) 1.389 27.402 ( -2.335 0.000 1.322) 2.683 27.427 ( -0.183 0.000 -0.986) 1.003 27.467 ( 1.278 0.000 0.271) 1.306 27.495 ( 2.082 0.000 -1.250) 2.428 27.744 ( 0.337 0.000 0.072) 0.345 27.750 ( 0.275 0.000 0.296) 0.404 27.827 ( -0.578 0.000 -0.026) 0.578 27.829 ( -0.578 0.000 0.120) 0.591 35.235 ( 4.594 0.000 3.593) 5.832 35.349 ( 8.822 0.000 -3.236) 9.397 35.705 ( 2.308 0.000 -1.426) 2.713 35.751 ( 0.282 0.000 1.562) 1.587 36.079 ( -3.707 0.000 -1.236) 3.908 36.092 ( -2.894 0.000 -0.694) 2.976 36.665 ( 0.437 0.000 -2.475) 2.514 36.796 ( 1.247 0.000 1.526) 1.970 39.866 ( -9.728 0.000 2.543) 10.055 39.930 ( 4.392 0.000 -12.183) 12.951 39.943 ( -4.385 0.000 10.669) 11.535 40.255 ( -4.058 0.000 -5.456) 6.800 40.605 ( 7.830 0.000 14.145) 16.167 40.690 ( 8.693 0.000 -3.599) 9.408 41.454 ( 2.611 0.000 -2.654) 3.723 41.559 ( 0.106 0.000 5.770) 5.771 ======================= Grid point 138 (68/80) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 3.260 0.000 -5.796) 6.650 1.370 ( 8.596 0.000 -23.962) 25.457 1.689 ( -9.258 0.000 10.919) 14.316 1.703 ( -4.952 0.000 -3.163) 5.876 2.212 ( 1.312 0.000 17.880) 17.928 2.245 ( 14.696 0.000 -12.609) 19.364 2.629 ( 1.822 0.000 6.978) 7.212 2.743 ( -5.851 0.000 -2.135) 6.228 2.749 ( 3.250 0.000 -5.704) 6.565 2.799 ( -4.457 0.000 6.085) 7.542 2.978 ( 0.802 0.000 -1.808) 1.978 3.037 ( -2.100 0.000 -3.047) 3.701 3.143 ( -2.986 0.000 0.659) 3.058 3.175 ( -1.202 0.000 -2.726) 2.979 3.291 ( 2.376 0.000 1.566) 2.846 3.321 ( -0.861 0.000 0.461) 0.977 3.487 ( 0.331 0.000 4.672) 4.683 3.531 ( 1.172 0.000 -3.665) 3.848 3.578 ( -1.358 0.000 4.010) 4.234 3.580 ( 1.561 0.000 -3.109) 3.479 3.727 ( 10.634 0.000 -0.269) 10.637 3.817 ( 5.734 0.000 -4.652) 7.384 3.881 ( -1.664 0.000 -2.093) 2.674 3.963 ( -11.622 0.000 1.090) 11.673 4.093 ( 2.792 0.000 -1.446) 3.144 4.132 ( -5.275 0.000 6.669) 8.503 4.230 ( 4.503 0.000 2.358) 5.083 4.283 ( -0.603 0.000 0.056) 0.606 4.336 ( 0.192 0.000 1.116) 1.132 4.378 ( -0.916 0.000 -2.866) 3.009 4.645 ( -2.112 0.000 8.376) 8.638 4.688 ( 1.300 0.000 -6.627) 6.754 4.773 ( 2.872 0.000 -0.324) 2.890 4.810 ( -1.840 0.000 1.773) 2.555 5.164 ( 6.802 0.000 -5.987) 9.062 5.239 ( -7.450 0.000 7.977) 10.915 5.342 ( 2.812 0.000 -1.270) 3.085 5.396 ( 2.367 0.000 1.742) 2.939 5.433 ( -6.100 0.000 -0.697) 6.140 5.473 ( 2.102 0.000 -1.680) 2.691 5.503 ( -7.753 0.000 2.578) 8.170 5.570 ( -5.907 0.000 -1.873) 6.197 5.693 ( 4.103 0.000 -3.645) 5.488 5.739 ( -4.644 0.000 3.190) 5.634 5.858 ( 4.147 0.000 6.362) 7.595 5.929 ( 2.215 0.000 -3.348) 4.014 6.073 ( 3.216 0.000 -1.368) 3.495 6.128 ( 1.991 0.000 -4.204) 4.651 6.372 ( -2.385 0.000 4.301) 4.918 6.400 ( 3.436 0.000 0.041) 3.436 6.413 ( -2.220 0.000 -1.138) 2.495 6.459 ( -1.383 0.000 0.988) 1.700 6.526 ( 0.577 0.000 7.211) 7.234 6.656 ( -1.914 0.000 -8.503) 8.716 6.693 ( 8.155 0.000 -1.846) 8.361 6.761 ( -2.172 0.000 3.595) 4.200 6.780 ( 1.144 0.000 -7.786) 7.870 6.849 ( -8.835 0.000 2.287) 9.127 7.019 ( 3.506 0.000 -0.441) 3.533 7.041 ( 1.990 0.000 -1.519) 2.503 7.097 ( 4.713 0.000 -2.627) 5.396 7.148 ( 0.175 0.000 3.103) 3.108 7.228 ( 3.057 0.000 -1.439) 3.378 7.276 ( 2.253 0.000 5.685) 6.115 7.305 ( -3.297 0.000 3.056) 4.495 7.314 ( -3.541 0.000 1.353) 3.791 7.432 ( -5.095 0.000 -2.201) 5.550 7.435 ( 0.882 0.000 -4.708) 4.790 7.571 ( 5.961 0.000 -4.530) 7.487 7.603 ( -2.718 0.000 7.228) 7.722 7.665 ( 0.339 0.000 -3.014) 3.033 7.780 ( -8.219 0.000 -1.341) 8.328 7.822 ( 4.629 0.000 -2.048) 5.062 7.885 ( -3.078 0.000 0.912) 3.210 7.912 ( -4.849 0.000 7.556) 8.978 7.932 ( 1.393 0.000 -9.344) 9.447 8.180 ( 1.619 0.000 -10.115) 10.244 8.184 ( -7.290 0.000 10.871) 13.089 8.346 ( 4.602 0.000 0.762) 4.665 8.375 ( 3.546 0.000 5.659) 6.678 8.415 ( 2.945 0.000 1.341) 3.236 8.423 ( -0.533 0.000 2.422) 2.480 8.638 ( 3.195 0.000 -1.044) 3.361 8.701 ( 2.593 0.000 -2.117) 3.348 8.766 ( -4.723 0.000 -1.449) 4.940 8.794 ( -8.050 0.000 -4.526) 9.235 8.970 ( 0.110 0.000 6.540) 6.541 9.045 ( -1.337 0.000 -6.740) 6.871 9.355 ( -1.209 0.000 7.407) 7.505 9.395 ( 3.665 0.000 -8.474) 9.233 9.899 ( -2.001 0.000 8.010) 8.256 9.915 ( 5.094 0.000 -4.488) 6.789 10.134 ( 4.559 0.000 8.521) 9.664 10.385 ( -8.058 0.000 -11.976) 14.435 10.594 ( 2.393 0.000 14.416) 14.614 10.712 ( 1.941 0.000 -9.169) 9.372 11.330 ( 3.567 0.000 -6.646) 7.542 11.337 ( -3.818 0.000 6.206) 7.286 12.322 ( -4.319 0.000 12.547) 13.269 12.369 ( 5.008 0.000 -13.870) 14.746 12.748 ( 1.749 0.000 4.049) 4.411 12.792 ( 1.237 0.000 -1.957) 2.315 13.620 ( 0.192 0.000 7.305) 7.308 13.727 ( -4.446 0.000 -1.502) 4.693 15.197 ( -2.220 0.000 5.751) 6.164 15.277 ( -1.127 0.000 -9.569) 9.635 16.332 ( 1.881 0.000 0.349) 1.913 16.365 ( -1.140 0.000 0.451) 1.226 17.052 ( -0.798 0.000 -1.061) 1.328 17.060 ( -2.640 0.000 1.110) 2.864 17.358 ( -0.776 0.000 6.114) 6.163 17.361 ( 5.016 0.000 -4.893) 7.007 17.478 ( -0.327 0.000 1.185) 1.230 17.484 ( 0.930 0.000 -3.107) 3.243 17.694 ( -0.421 0.000 -1.390) 1.452 17.716 ( -4.162 0.000 2.352) 4.781 17.996 ( 3.482 0.000 1.207) 3.685 18.078 ( -2.717 0.000 -2.837) 3.928 18.139 ( 4.405 0.000 -0.930) 4.502 18.194 ( -3.274 0.000 2.564) 4.158 18.632 ( 0.690 0.000 4.378) 4.432 18.639 ( 2.023 0.000 0.427) 2.067 18.921 ( -2.600 0.000 1.270) 2.894 18.926 ( 0.942 0.000 -6.498) 6.566 20.583 ( -0.554 0.000 1.375) 1.483 20.627 ( -3.161 0.000 -3.241) 4.527 20.662 ( 1.078 0.000 0.338) 1.130 20.695 ( -1.615 0.000 -1.453) 2.173 21.506 ( -0.631 0.000 1.377) 1.515 21.510 ( 0.329 0.000 -1.100) 1.148 21.525 ( 0.362 0.000 -0.967) 1.033 21.527 ( -0.508 0.000 0.570) 0.764 27.396 ( -0.427 0.000 2.133) 2.176 27.413 ( 0.090 0.000 -1.839) 1.841 27.493 ( 0.986 0.000 0.343) 1.044 27.507 ( 0.239 0.000 -0.739) 0.776 27.754 ( 0.499 0.000 -0.066) 0.503 27.757 ( 0.017 0.000 0.345) 0.346 27.817 ( -0.523 0.000 0.325) 0.616 27.818 ( -0.339 0.000 -0.282) 0.441 35.392 ( 2.689 0.000 7.789) 8.241 35.436 ( 4.598 0.000 -5.776) 7.383 35.782 ( 0.685 0.000 4.759) 4.808 35.786 ( 7.591 0.000 -4.399) 8.774 35.972 ( -6.328 0.000 1.957) 6.624 35.999 ( -3.856 0.000 -4.118) 5.642 36.705 ( 4.168 0.000 0.422) 4.189 36.786 ( -2.630 0.000 -0.737) 2.731 39.797 ( -2.705 0.000 6.305) 6.861 39.859 ( 0.779 0.000 -10.556) 10.585 39.997 ( -1.717 0.000 11.742) 11.867 40.106 ( -1.864 0.000 -9.762) 9.938 40.786 ( 6.696 0.000 -6.809) 9.550 40.794 ( -2.494 0.000 11.301) 11.573 41.535 ( 4.754 0.000 0.975) 4.853 41.590 ( -1.643 0.000 2.645) 3.114 ======================= Grid point 141 (69/80) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.679 9.234 -21.328) 23.251 1.614 ( 0.679 9.234 21.328) 23.251 1.716 ( 1.820 13.908 -20.731) 25.031 1.716 ( -1.820 13.908 20.731) 25.031 2.247 ( 8.929 10.336 -9.829) 16.828 2.247 ( -8.929 10.336 9.829) 16.828 2.684 ( -2.218 -2.670 -1.160) 3.660 2.684 ( 2.218 -2.670 1.160) 3.660 2.899 ( -0.217 -0.526 -7.736) 7.757 2.899 ( 0.217 -0.526 7.736) 7.757 3.059 ( 0.339 4.994 -7.442) 8.969 3.059 ( -0.339 4.994 7.442) 8.969 3.187 ( 0.560 2.757 -2.072) 3.495 3.187 ( -0.560 2.757 2.072) 3.495 3.326 ( -0.309 0.739 -1.428) 1.638 3.326 ( 0.309 0.739 1.428) 1.638 3.440 ( 1.742 -1.248 -1.566) 2.654 3.440 ( -1.742 -1.248 1.566) 2.654 3.577 ( 0.912 1.169 -1.616) 2.193 3.577 ( -0.912 1.169 1.616) 2.193 3.692 ( 2.449 0.034 -3.643) 4.389 3.692 ( -2.449 0.034 3.643) 4.389 3.847 ( 0.924 1.419 -11.083) 11.211 3.847 ( -0.924 1.419 11.083) 11.211 4.108 ( -0.100 -0.971 -1.554) 1.835 4.108 ( 0.100 -0.971 1.554) 1.835 4.326 ( -0.209 5.279 -6.589) 8.445 4.326 ( 0.209 5.279 6.589) 8.445 4.437 ( -0.198 9.287 -5.636) 10.865 4.437 ( 0.198 9.287 5.636) 10.865 4.682 ( 2.526 -1.817 -3.364) 4.582 4.682 ( -2.526 -1.817 3.364) 4.582 4.778 ( -1.098 0.747 -2.160) 2.536 4.778 ( 1.098 0.747 2.160) 2.536 5.127 ( 0.750 -5.788 -5.484) 8.009 5.127 ( -0.750 -5.788 5.484) 8.009 5.361 ( -0.984 -1.172 -6.746) 6.917 5.361 ( 0.984 -1.172 6.746) 6.917 5.466 ( 1.019 -3.290 -3.085) 4.624 5.466 ( -1.019 -3.290 3.085) 4.624 5.636 ( 1.590 2.074 -3.552) 4.410 5.636 ( -1.590 2.074 3.552) 4.410 5.728 ( -3.878 -4.089 -1.844) 5.930 5.728 ( 3.878 -4.089 1.844) 5.930 5.865 ( 0.204 -2.468 -3.226) 4.067 5.865 ( -0.204 -2.468 3.226) 4.067 6.114 ( -7.238 -1.553 -0.389) 7.413 6.114 ( 7.238 -1.553 0.389) 7.413 6.272 ( -0.590 1.580 -0.264) 1.707 6.272 ( 0.590 1.580 0.264) 1.707 6.421 ( -1.767 1.350 -3.698) 4.316 6.421 ( 1.767 1.350 3.698) 4.316 6.636 ( 0.536 2.198 -1.030) 2.486 6.636 ( -0.536 2.198 1.030) 2.486 6.752 ( 1.252 1.630 -1.603) 2.607 6.752 ( -1.252 1.630 1.603) 2.607 6.837 ( -1.232 0.347 -0.397) 1.340 6.837 ( 1.232 0.347 0.397) 1.340 6.998 ( 2.243 3.112 -4.433) 5.862 6.998 ( -2.243 3.112 4.433) 5.862 7.074 ( 2.428 4.513 -4.413) 6.763 7.074 ( -2.428 4.513 4.413) 6.763 7.260 ( -1.600 -3.892 -2.246) 4.770 7.260 ( 1.600 -3.892 2.246) 4.770 7.341 ( 1.226 1.908 -2.311) 3.238 7.341 ( -1.226 1.908 2.311) 3.238 7.436 ( 1.304 -3.741 -2.641) 4.761 7.436 ( -1.304 -3.741 2.641) 4.761 7.688 ( -1.052 -4.504 -1.935) 5.014 7.688 ( 1.052 -4.504 1.935) 5.014 7.770 ( -3.803 1.762 -3.103) 5.215 7.770 ( 3.803 1.762 3.103) 5.215 7.891 ( -5.204 -2.030 -0.208) 5.589 7.891 ( 5.204 -2.030 0.208) 5.589 8.006 ( 0.119 -0.364 -5.698) 5.711 8.006 ( -0.119 -0.364 5.698) 5.711 8.093 ( 2.890 0.253 -2.555) 3.865 8.093 ( -2.890 0.253 2.555) 3.865 8.216 ( 3.779 -0.269 -9.664) 10.380 8.216 ( -3.779 -0.269 9.664) 10.380 8.445 ( 2.423 1.848 -3.788) 4.862 8.445 ( -2.423 1.848 3.788) 4.862 8.566 ( -3.322 -3.945 -2.805) 5.871 8.566 ( 3.322 -3.945 2.805) 5.871 8.957 ( 3.955 -5.502 -4.767) 8.285 8.957 ( -3.955 -5.502 4.767) 8.285 9.048 ( -6.279 0.479 0.297) 6.304 9.048 ( 6.279 0.479 -0.297) 6.304 9.378 ( 2.015 4.070 -7.510) 8.776 9.378 ( -2.015 4.070 7.510) 8.776 9.832 ( -3.946 -1.010 -5.400) 6.764 9.832 ( 3.946 -1.010 5.400) 6.764 10.197 ( -6.618 8.747 0.507) 10.980 10.197 ( 6.618 8.747 -0.507) 10.980 10.718 ( 0.984 0.599 -1.688) 2.044 10.718 ( -0.984 0.599 1.688) 2.044 11.386 ( 4.056 3.770 -8.758) 10.362 11.386 ( -4.056 3.770 8.758) 10.362 12.315 ( 7.896 -4.004 -10.254) 13.548 12.315 ( -7.896 -4.004 10.254) 13.548 12.702 ( 0.973 2.160 -4.855) 5.402 12.702 ( -0.973 2.160 4.855) 5.402 13.600 ( 1.753 -7.894 -3.024) 8.633 13.600 ( -1.753 -7.894 3.024) 8.633 15.396 ( 2.668 1.597 -5.321) 6.163 15.396 ( -2.668 1.597 5.321) 6.163 16.326 ( -0.617 0.979 -1.726) 2.078 16.326 ( 0.617 0.979 1.726) 2.078 17.134 ( -2.716 -2.623 -0.435) 3.801 17.134 ( 2.716 -2.623 0.435) 3.801 17.261 ( -1.781 1.668 -2.160) 3.259 17.261 ( 1.781 1.668 2.160) 3.259 17.504 ( 0.690 2.438 -1.280) 2.839 17.504 ( -0.690 2.438 1.280) 2.839 17.772 ( 2.535 -1.506 -3.189) 4.343 17.772 ( -2.535 -1.506 3.189) 4.343 17.943 ( 1.255 1.035 -1.303) 2.084 17.943 ( -1.255 1.035 1.303) 2.084 18.218 ( 0.682 -0.408 -3.053) 3.154 18.218 ( -0.682 -0.408 3.053) 3.154 18.534 ( 1.427 -3.192 -1.764) 3.916 18.534 ( -1.427 -3.192 1.764) 3.916 18.908 ( 2.212 -5.310 -3.625) 6.799 18.908 ( -2.212 -5.310 3.625) 6.799 20.593 ( -0.790 -2.177 -0.577) 2.387 20.593 ( 0.790 -2.177 0.577) 2.387 20.782 ( 1.177 -1.401 -2.784) 3.332 20.782 ( -1.177 -1.401 2.784) 3.332 21.527 ( 0.360 0.967 -0.361) 1.093 21.527 ( -0.360 0.967 0.361) 1.093 21.550 ( 0.413 1.509 -0.811) 1.762 21.550 ( -0.413 1.509 0.811) 1.762 27.432 ( -0.633 -0.588 -0.270) 0.905 27.432 ( 0.633 -0.588 0.270) 0.905 27.460 ( -0.780 0.368 -0.231) 0.893 27.460 ( 0.780 0.368 0.231) 0.893 27.754 ( -0.114 1.041 -0.206) 1.068 27.754 ( 0.114 1.041 0.206) 1.068 27.847 ( 0.058 1.056 -0.461) 1.153 27.847 ( -0.058 1.056 0.461) 1.153 35.234 ( -5.553 1.400 0.802) 5.782 35.234 ( 5.553 1.400 -0.802) 5.782 35.710 ( -1.740 -0.809 -1.938) 2.727 35.710 ( 1.740 -0.809 1.938) 2.727 36.117 ( 0.823 -0.311 -0.812) 1.197 36.117 ( -0.823 -0.311 0.812) 1.197 36.715 ( 1.318 -1.034 -8.239) 8.407 36.715 ( -1.318 -1.034 8.239) 8.407 39.835 ( 2.259 -5.985 -7.034) 9.508 39.835 ( -2.259 -5.985 7.034) 9.508 40.181 ( -7.397 -0.574 -10.560) 12.906 40.181 ( 7.397 -0.574 10.560) 12.906 40.565 ( -13.380 5.180 -0.545) 14.358 40.565 ( 13.380 5.180 0.545) 14.358 41.492 ( 1.781 -0.170 -8.056) 8.252 41.492 ( -1.781 -0.170 8.056) 8.252 ======================= Grid point 143 (70/80) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 8.143 10.041 -19.703) 23.565 1.583 ( 5.172 14.666 -19.975) 25.315 1.829 ( -1.760 1.079 8.798) 9.037 1.905 ( -0.899 11.342 13.755) 17.851 2.141 ( -7.375 13.487 13.108) 20.202 2.247 ( 10.339 17.039 -17.875) 26.772 2.565 ( -5.116 -1.997 4.136) 6.875 2.720 ( 1.233 -3.271 -1.183) 3.690 2.884 ( -0.327 -2.686 -0.294) 2.721 2.907 ( -4.027 0.644 -1.815) 4.464 2.962 ( -3.977 4.035 -0.617) 5.699 3.082 ( -0.285 3.468 -0.609) 3.533 3.212 ( 0.643 0.289 0.868) 1.118 3.250 ( 2.023 3.699 4.899) 6.464 3.267 ( -2.628 1.735 -1.089) 3.332 3.317 ( -0.055 -1.276 -2.193) 2.538 3.426 ( 0.425 -1.552 2.028) 2.589 3.499 ( 3.290 -0.268 -2.277) 4.010 3.563 ( -0.411 1.598 -0.574) 1.747 3.587 ( 0.201 0.063 -0.429) 0.478 3.663 ( 0.607 1.711 -1.032) 2.088 3.726 ( 5.698 -1.661 -4.661) 7.546 3.843 ( 3.504 -1.232 -4.885) 6.137 4.008 ( 1.314 3.020 12.390) 12.820 4.104 ( 0.156 1.445 1.542) 2.119 4.120 ( -1.502 -1.218 3.254) 3.785 4.253 ( 0.031 5.747 -4.675) 7.409 4.392 ( -0.380 7.419 2.693) 7.902 4.405 ( 2.097 7.486 -2.396) 8.135 4.478 ( -1.246 6.922 4.863) 8.551 4.662 ( -2.742 2.626 3.779) 5.357 4.673 ( 0.907 -3.987 -4.084) 5.779 4.747 ( 0.243 0.191 -1.898) 1.923 4.820 ( 0.624 0.943 2.564) 2.802 5.086 ( 0.960 -4.231 -2.822) 5.176 5.151 ( -1.890 -7.085 2.349) 7.700 5.324 ( 2.239 -2.344 -4.033) 5.174 5.434 ( -1.834 0.675 1.135) 2.259 5.449 ( -2.227 -2.949 3.540) 5.117 5.525 ( 0.806 -0.606 4.600) 4.709 5.570 ( -1.239 -4.056 0.514) 4.272 5.627 ( -3.975 3.957 0.908) 5.682 5.688 ( 1.557 -1.488 1.262) 2.496 5.730 ( -7.402 -4.082 -2.135) 8.719 5.779 ( -5.393 -4.398 -0.546) 6.980 5.864 ( 3.116 -2.013 -0.592) 3.757 6.024 ( 0.407 -3.571 0.131) 3.597 6.133 ( -0.902 2.459 -4.487) 5.195 6.282 ( 2.998 2.539 1.766) 4.307 6.372 ( 3.979 -0.979 0.904) 4.196 6.413 ( 1.719 -1.434 -0.358) 2.267 6.485 ( -0.055 2.219 1.371) 2.609 6.615 ( -0.064 2.901 -0.038) 2.902 6.666 ( -2.124 2.556 0.840) 3.428 6.700 ( 4.813 1.671 -1.578) 5.333 6.786 ( 2.374 2.680 -4.662) 5.878 6.835 ( 0.608 3.840 -2.238) 4.486 6.939 ( 6.779 -0.832 -1.286) 6.950 6.972 ( -2.914 1.505 0.799) 3.375 6.990 ( -3.125 -0.731 -1.336) 3.476 7.046 ( 4.490 -0.536 -2.752) 5.294 7.117 ( 1.806 6.587 3.558) 7.701 7.200 ( -0.405 -1.529 -1.544) 2.210 7.296 ( -3.641 -3.011 -3.595) 5.937 7.306 ( -0.946 -1.239 1.954) 2.500 7.342 ( -0.240 2.611 1.319) 2.935 7.407 ( -3.621 -3.734 1.328) 5.368 7.490 ( 4.031 -0.399 1.807) 4.435 7.576 ( -4.420 -1.528 0.421) 4.696 7.606 ( -4.268 2.851 -0.937) 5.217 7.735 ( 1.620 -3.257 -4.142) 5.513 7.806 ( -4.058 -0.405 -1.603) 4.382 7.868 ( -0.764 -1.493 0.070) 1.679 7.889 ( -6.162 -4.111 -2.778) 7.911 7.989 ( -3.914 1.484 5.559) 6.959 8.044 ( 0.487 -0.604 -0.349) 0.851 8.107 ( 10.035 0.379 0.695) 10.066 8.129 ( 0.578 -2.027 0.223) 2.119 8.238 ( 2.987 0.329 3.354) 4.503 8.282 ( 2.052 -0.553 1.597) 2.658 8.384 ( -4.902 -3.102 -3.839) 6.956 8.430 ( -0.111 1.569 0.878) 1.801 8.577 ( 4.924 0.128 1.080) 5.042 8.648 ( 2.805 -2.064 0.993) 3.621 8.876 ( -6.776 -3.073 -3.524) 8.233 8.926 ( -2.979 0.051 4.592) 5.474 8.968 ( -2.846 -1.491 -1.807) 3.686 9.136 ( 0.402 -0.334 -4.655) 4.684 9.294 ( 1.519 1.469 -1.349) 2.507 9.411 ( -0.093 2.153 -1.079) 2.410 9.749 ( -0.647 -3.470 1.427) 3.807 9.935 ( 2.472 0.703 -0.351) 2.594 10.148 ( -2.125 8.506 5.622) 10.415 10.397 ( 7.525 5.707 9.890) 13.675 10.646 ( -4.647 2.206 -4.659) 6.940 10.724 ( 1.659 -0.436 -3.659) 4.041 11.377 ( 3.476 3.581 -7.001) 8.597 11.398 ( -3.545 4.779 7.381) 9.481 12.271 ( -5.436 -3.216 8.898) 10.911 12.353 ( 6.269 -4.042 -10.912) 13.218 12.694 ( 1.653 1.274 -0.556) 2.160 12.753 ( 1.091 1.350 3.486) 3.894 13.537 ( -4.999 -6.656 5.753) 10.118 13.659 ( 1.529 -8.886 -0.203) 9.019 15.288 ( -5.681 2.529 0.361) 6.229 15.416 ( 0.093 2.944 -4.330) 5.236 16.320 ( 0.867 1.463 0.128) 1.705 16.366 ( 0.719 0.765 2.453) 2.669 17.067 ( -3.132 -1.293 1.196) 3.594 17.180 ( -3.148 2.788 -1.247) 4.387 17.225 ( 3.727 -3.189 -0.066) 4.906 17.319 ( 2.284 0.387 1.363) 2.688 17.477 ( -0.713 0.610 0.238) 0.968 17.530 ( 1.224 2.739 -1.947) 3.576 17.742 ( -3.614 -1.010 2.704) 4.625 17.771 ( -0.567 0.305 -1.150) 1.318 17.947 ( 1.555 1.588 0.720) 2.337 18.009 ( 5.218 -1.226 -0.645) 5.399 18.169 ( -2.264 -0.272 -2.601) 3.459 18.215 ( -2.584 -0.614 2.318) 3.526 18.530 ( -0.638 -4.360 2.776) 5.208 18.558 ( 1.683 -2.885 0.287) 3.352 18.897 ( -0.472 -5.343 -0.544) 5.392 18.911 ( 0.835 -4.952 -3.144) 5.925 20.573 ( -0.762 -1.724 -0.234) 1.900 20.614 ( 0.731 -2.206 0.653) 2.414 20.739 ( -4.007 -0.543 -0.658) 4.097 20.749 ( -1.475 -0.753 -2.717) 3.182 21.523 ( -0.395 0.982 0.362) 1.119 21.528 ( 0.308 1.161 -0.791) 1.438 21.541 ( -0.771 1.156 0.664) 1.540 21.548 ( -0.491 1.446 -0.157) 1.535 27.402 ( -1.829 0.125 1.225) 2.205 27.429 ( -0.364 0.119 -0.949) 1.024 27.462 ( 1.236 -0.385 0.286) 1.326 27.493 ( 1.670 -0.215 -0.908) 1.913 27.753 ( 0.211 0.909 0.077) 0.936 27.761 ( 0.258 1.059 0.330) 1.139 27.837 ( -0.474 0.906 -0.391) 1.094 27.844 ( -0.611 1.200 0.305) 1.381 35.230 ( 3.512 -0.083 2.336) 4.219 35.381 ( 9.395 2.678 -1.932) 9.958 35.661 ( -0.590 -3.225 -0.857) 3.388 35.773 ( 2.709 1.071 0.951) 3.064 36.072 ( -3.995 -0.340 -0.345) 4.024 36.099 ( -1.672 0.582 -1.378) 2.244 36.652 ( 0.764 -1.239 -4.089) 4.341 36.779 ( -0.000 -1.750 2.984) 3.459 39.782 ( -2.341 -3.486 1.032) 4.324 39.877 ( -1.433 -4.831 5.419) 7.400 40.016 ( 0.722 1.103 -10.458) 10.541 40.294 ( -12.504 2.066 -2.086) 12.844 40.467 ( 8.922 -5.590 11.836) 15.841 40.801 ( 9.586 7.177 -1.203) 12.035 41.420 ( -1.231 -2.514 0.737) 2.894 41.578 ( 2.181 0.292 1.591) 2.715 ======================= Grid point 144 (71/80) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 11.083 7.924 -21.339) 25.317 1.519 ( -4.023 14.987 2.303) 15.687 1.721 ( 0.920 4.135 -5.955) 7.308 1.836 ( -12.792 11.603 6.924) 18.607 2.315 ( 2.094 10.719 17.879) 20.950 2.387 ( 12.660 13.658 -11.955) 22.131 2.622 ( 3.402 -0.184 7.087) 7.864 2.730 ( 3.006 -1.144 -3.911) 5.063 2.781 ( -6.315 2.575 -2.125) 7.143 2.804 ( -5.471 0.059 0.974) 5.557 2.946 ( 1.323 -1.752 2.140) 3.066 3.046 ( -2.817 0.159 -5.068) 5.801 3.175 ( -0.672 2.090 1.101) 2.456 3.223 ( -2.145 3.675 -1.950) 4.681 3.313 ( 2.324 1.645 -1.209) 3.093 3.319 ( -0.578 -0.052 2.858) 2.916 3.473 ( 1.264 -1.431 3.100) 3.641 3.513 ( 0.630 -1.814 -2.393) 3.068 3.556 ( 1.151 -0.766 -1.145) 1.795 3.581 ( -1.882 -1.143 0.730) 2.320 3.738 ( 6.513 0.731 -1.278) 6.678 3.793 ( 5.735 -2.865 -2.296) 6.809 3.819 ( -0.861 -1.546 -1.287) 2.188 3.992 ( -10.666 1.713 0.730) 10.828 4.115 ( 1.210 2.131 0.381) 2.480 4.124 ( -1.115 1.989 2.622) 3.475 4.286 ( 5.734 5.460 -2.051) 8.179 4.367 ( -3.833 5.757 0.276) 6.922 4.438 ( 0.721 9.284 5.677) 10.906 4.501 ( 0.133 8.951 -2.881) 9.404 4.656 ( -3.079 0.398 5.719) 6.508 4.659 ( 1.396 -2.405 -3.020) 4.105 4.768 ( 4.116 -0.031 -1.015) 4.240 4.832 ( -2.447 1.956 1.787) 3.606 5.113 ( 4.930 -4.856 -4.855) 8.453 5.138 ( -2.629 -7.045 4.449) 8.737 5.353 ( 3.048 -3.632 -2.325) 5.281 5.380 ( -3.861 -2.649 1.045) 4.797 5.414 ( -1.040 3.158 3.538) 4.855 5.514 ( -3.814 -0.695 -3.983) 5.558 5.523 ( -3.580 -1.775 4.037) 5.680 5.549 ( -3.866 2.995 -0.546) 4.921 5.643 ( 3.152 -3.032 -3.242) 5.444 5.684 ( -4.307 -3.238 2.085) 5.777 5.816 ( 4.019 -3.521 5.787) 7.877 5.898 ( 1.056 -2.463 -4.177) 4.962 6.078 ( 3.554 -2.966 -0.102) 4.630 6.103 ( 0.236 0.716 -0.610) 0.970 6.325 ( -0.753 -3.467 1.477) 3.843 6.376 ( -2.981 -0.997 -1.980) 3.715 6.430 ( 1.695 1.125 2.802) 3.463 6.482 ( -0.745 2.304 -0.846) 2.565 6.643 ( 0.856 5.146 4.773) 7.071 6.704 ( 4.311 3.263 -3.476) 6.427 6.742 ( 2.704 3.436 -3.894) 5.855 6.767 ( 1.152 2.879 -4.484) 5.452 6.791 ( -3.149 2.557 0.123) 4.058 6.867 ( -6.476 1.590 1.622) 6.863 7.010 ( 6.349 -0.050 -1.385) 6.498 7.035 ( 6.320 -0.788 -3.181) 7.119 7.113 ( -0.630 -2.095 1.038) 2.421 7.141 ( -4.053 1.640 -2.997) 5.301 7.196 ( 1.338 0.047 -0.370) 1.389 7.255 ( -5.469 -3.824 2.135) 7.007 7.277 ( 5.202 -1.607 4.775) 7.242 7.344 ( -0.231 3.846 3.465) 5.182 7.400 ( 1.733 -0.478 -2.339) 2.950 7.478 ( -6.675 0.253 -1.060) 6.763 7.561 ( 0.554 -2.201 3.816) 4.440 7.588 ( 2.940 0.811 -4.442) 5.388 7.685 ( -2.872 1.321 -0.067) 3.162 7.739 ( -3.521 -2.824 -3.234) 5.552 7.780 ( 1.990 -2.349 1.201) 3.305 7.837 ( -2.682 -3.229 -0.857) 4.285 7.977 ( -4.385 3.969 7.172) 9.297 7.980 ( 2.635 3.013 -10.067) 10.834 8.157 ( -0.398 -0.751 4.927) 5.000 8.237 ( -2.440 1.153 -2.350) 3.579 8.287 ( 1.877 -4.052 0.425) 4.486 8.320 ( -0.940 -7.035 0.591) 7.122 8.372 ( 5.050 0.082 5.655) 7.582 8.447 ( 0.909 1.517 -2.010) 2.677 8.680 ( 4.044 0.420 0.081) 4.067 8.703 ( 3.494 0.473 -0.934) 3.647 8.715 ( -4.499 -0.394 1.020) 4.630 8.837 ( -6.426 0.700 -4.018) 7.611 8.973 ( 0.279 0.090 6.111) 6.118 9.050 ( -1.282 0.332 -6.158) 6.299 9.344 ( 1.725 -0.115 0.553) 1.815 9.380 ( -1.176 -0.427 -1.640) 2.063 9.823 ( 2.831 -4.401 6.363) 8.238 9.924 ( -0.404 -1.645 -5.732) 5.977 10.233 ( 3.205 8.348 9.923) 13.358 10.445 ( -7.084 5.125 -9.834) 13.159 10.608 ( 1.880 0.958 11.261) 11.457 10.702 ( 1.475 -0.812 -7.616) 7.800 11.380 ( 4.693 4.256 -7.937) 10.156 11.394 ( -4.950 5.020 8.191) 10.807 12.291 ( -3.163 -3.089 10.448) 11.345 12.336 ( 3.928 -3.352 -11.375) 12.492 12.745 ( 2.351 0.162 1.727) 2.921 12.785 ( -0.161 -0.185 -0.140) 0.283 13.549 ( -1.051 -6.452 8.387) 10.634 13.633 ( -1.580 -8.248 -4.640) 9.595 15.247 ( -0.047 4.532 3.508) 5.731 15.332 ( -2.605 4.452 -5.983) 7.899 16.353 ( 1.694 1.742 0.812) 2.562 16.382 ( -0.838 1.294 0.689) 1.689 17.050 ( 0.010 0.764 1.651) 1.820 17.097 ( -3.001 2.517 -1.617) 4.238 17.305 ( 3.561 -3.066 0.915) 4.787 17.356 ( -0.295 -1.334 -0.058) 1.367 17.479 ( 1.235 0.078 -0.029) 1.238 17.515 ( -0.792 1.686 -1.577) 2.441 17.707 ( -1.394 0.554 1.401) 2.053 17.730 ( -2.402 1.329 -0.297) 2.762 18.004 ( 3.059 0.882 0.970) 3.328 18.067 ( -0.666 -1.159 -2.401) 2.748 18.127 ( 2.577 -0.696 -1.084) 2.881 18.178 ( -3.572 -1.499 2.279) 4.495 18.571 ( 0.935 -5.255 3.788) 6.546 18.594 ( 1.156 -4.059 -0.104) 4.222 18.872 ( 0.540 -4.767 -3.778) 6.107 18.877 ( -1.850 -4.150 -0.288) 4.553 20.571 ( 0.570 -0.727 0.959) 1.331 20.616 ( -1.827 -1.465 -1.306) 2.681 20.665 ( -0.548 0.572 0.121) 0.801 20.695 ( -1.394 -0.282 -2.142) 2.571 21.521 ( -0.246 1.126 0.567) 1.284 21.525 ( 0.141 1.339 -0.698) 1.517 21.535 ( -0.317 0.961 0.213) 1.034 21.537 ( -0.293 0.913 -0.140) 0.969 27.398 ( -0.460 0.264 2.008) 2.077 27.414 ( 0.081 0.100 -1.761) 1.766 27.488 ( 0.957 -0.489 0.390) 1.143 27.502 ( 0.119 -0.446 -0.652) 0.799 27.762 ( 0.489 0.794 0.007) 0.932 27.767 ( -0.119 0.940 0.315) 0.998 27.827 ( -0.025 0.972 -0.297) 1.017 27.833 ( -0.718 1.184 0.193) 1.398 35.362 ( 5.223 -1.735 3.753) 6.662 35.457 ( -0.285 1.109 -2.714) 2.945 35.723 ( 7.097 -2.933 1.113) 7.760 35.828 ( 1.026 0.978 -0.668) 1.567 35.977 ( -3.953 1.044 1.132) 4.242 36.026 ( -3.755 2.138 -2.542) 5.013 36.681 ( 4.694 -2.283 -1.410) 5.407 36.761 ( -3.707 -2.464 0.820) 4.526 39.793 ( 0.595 0.135 4.746) 4.785 39.870 ( -1.587 -0.657 -3.124) 3.565 39.983 ( 2.388 -1.629 -1.090) 3.089 40.079 ( -6.775 -2.163 -2.802) 7.644 40.710 ( 5.812 -3.010 8.128) 10.435 40.847 ( -1.432 2.909 -4.312) 5.395 41.489 ( 4.117 -3.369 4.545) 6.997 41.586 ( -1.604 -1.418 -1.807) 2.802 ======================= Grid point 147 (72/80) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 2.513 12.544 -15.828) 20.352 1.850 ( -2.513 12.544 15.828) 20.352 1.996 ( 1.315 13.319 -14.680) 19.865 1.996 ( -1.315 13.319 14.680) 19.865 2.494 ( 2.613 6.774 -4.149) 8.363 2.494 ( -2.613 6.774 4.149) 8.363 2.696 ( 5.073 6.254 -3.359) 8.725 2.696 ( -5.073 6.254 3.359) 8.725 2.877 ( -2.049 0.840 -7.061) 7.400 2.877 ( 2.049 0.840 7.061) 7.400 3.096 ( -0.666 -1.790 -4.783) 5.150 3.096 ( 0.666 -1.790 4.783) 5.150 3.236 ( 2.431 1.431 -1.727) 3.307 3.236 ( -2.431 1.431 1.727) 3.307 3.361 ( 0.824 2.486 -2.288) 3.478 3.361 ( -0.824 2.486 2.288) 3.478 3.470 ( -3.451 4.231 -0.256) 5.466 3.470 ( 3.451 4.231 0.256) 5.466 3.568 ( 3.430 -1.124 -4.605) 5.851 3.568 ( -3.430 -1.124 4.605) 5.851 3.709 ( -0.184 2.017 -0.456) 2.076 3.709 ( 0.184 2.017 0.456) 2.076 3.947 ( -2.330 7.045 -11.306) 13.523 3.947 ( 2.330 7.045 11.306) 13.523 4.110 ( -0.289 0.359 -2.137) 2.186 4.110 ( 0.289 0.359 2.137) 2.186 4.421 ( -1.397 2.834 -5.870) 6.666 4.421 ( 1.397 2.834 5.870) 6.666 4.589 ( 2.024 2.833 -3.191) 4.723 4.589 ( -2.024 2.833 3.191) 4.723 4.675 ( -2.865 4.068 -5.151) 7.162 4.675 ( 2.865 4.068 5.151) 7.162 4.814 ( -0.759 3.002 -0.772) 3.191 4.814 ( 0.759 3.002 0.772) 3.191 5.006 ( 0.041 -5.132 -1.166) 5.263 5.006 ( -0.041 -5.132 1.166) 5.263 5.348 ( 0.036 -0.517 -6.278) 6.299 5.348 ( -0.036 -0.517 6.278) 6.299 5.383 ( -2.597 -4.195 -1.354) 5.116 5.383 ( 2.597 -4.195 1.354) 5.116 5.590 ( -1.281 -7.446 -1.376) 7.679 5.590 ( 1.281 -7.446 1.376) 7.679 5.677 ( -3.813 -0.405 -1.417) 4.088 5.677 ( 3.813 -0.405 1.417) 4.088 5.803 ( 2.793 -2.055 -10.002) 10.586 5.803 ( -2.793 -2.055 10.002) 10.586 6.055 ( -10.269 -3.815 0.447) 10.964 6.055 ( 10.269 -3.815 -0.447) 10.964 6.344 ( -1.353 4.583 -4.890) 6.837 6.344 ( 1.353 4.583 4.890) 6.837 6.474 ( -1.133 4.300 -3.280) 5.526 6.474 ( 1.133 4.300 3.280) 5.526 6.660 ( -2.828 -1.787 -1.219) 3.560 6.660 ( 2.828 -1.787 1.219) 3.560 6.749 ( -4.797 -0.149 -3.637) 6.022 6.749 ( 4.797 -0.149 3.637) 6.022 6.895 ( -0.117 3.974 -1.554) 4.269 6.895 ( 0.117 3.974 1.554) 4.269 7.056 ( -0.934 1.882 -0.255) 2.117 7.056 ( 0.934 1.882 0.255) 2.117 7.169 ( -5.257 1.516 -0.935) 5.551 7.169 ( 5.257 1.516 0.935) 5.551 7.187 ( -0.038 -0.202 -1.493) 1.507 7.187 ( 0.038 -0.202 1.493) 1.507 7.325 ( -1.869 -0.735 -4.137) 4.599 7.325 ( 1.869 -0.735 4.137) 4.599 7.456 ( 0.144 4.292 -1.073) 4.426 7.456 ( -0.144 4.292 1.073) 4.426 7.589 ( -0.108 -4.570 -2.790) 5.355 7.589 ( 0.108 -4.570 2.790) 5.355 7.766 ( -1.324 -4.099 -2.480) 4.970 7.766 ( 1.324 -4.099 2.480) 4.970 7.842 ( -5.396 -0.498 0.060) 5.419 7.842 ( 5.396 -0.498 -0.060) 5.419 7.969 ( 2.405 -5.424 -6.544) 8.833 7.969 ( -2.405 -5.424 6.544) 8.833 8.083 ( -1.748 0.909 -4.504) 4.916 8.083 ( 1.748 0.909 4.504) 4.916 8.264 ( 0.223 4.720 -6.372) 7.933 8.264 ( -0.223 4.720 6.372) 7.933 8.390 ( -5.843 -6.475 -2.293) 9.017 8.390 ( 5.843 -6.475 2.293) 9.017 8.563 ( -0.417 2.618 -1.963) 3.298 8.563 ( 0.417 2.618 1.963) 3.298 8.865 ( -0.122 -3.354 -4.409) 5.541 8.865 ( 0.122 -3.354 4.409) 5.541 9.078 ( -3.736 2.153 -1.168) 4.467 9.078 ( 3.736 2.153 1.168) 4.467 9.435 ( 1.195 2.105 -4.759) 5.339 9.435 ( -1.195 2.105 4.759) 5.339 9.786 ( -5.954 -3.225 -4.709) 8.248 9.786 ( 5.954 -3.225 4.709) 8.248 10.391 ( -4.257 8.918 0.173) 9.883 10.391 ( 4.257 8.918 -0.173) 9.883 10.729 ( 2.577 0.188 -3.578) 4.414 10.729 ( -2.577 0.188 3.578) 4.414 11.478 ( 4.464 4.682 -11.198) 12.932 11.478 ( -4.464 4.682 11.198) 12.932 12.214 ( 5.574 -5.380 -8.556) 11.541 12.214 ( -5.574 -5.380 8.556) 11.541 12.767 ( 2.442 4.322 -7.422) 8.929 12.767 ( -2.442 4.322 7.422) 8.929 13.409 ( 5.703 -10.098 -7.735) 13.940 13.409 ( -5.703 -10.098 7.735) 13.940 15.440 ( -1.041 2.550 -3.752) 4.654 15.440 ( 1.041 2.550 3.752) 4.654 16.342 ( -0.178 0.416 -1.356) 1.430 16.342 ( 0.178 0.416 1.356) 1.430 17.105 ( 0.566 -0.049 -1.394) 1.505 17.105 ( -0.566 -0.049 1.394) 1.505 17.283 ( -0.291 0.547 -2.734) 2.803 17.283 ( 0.291 0.547 2.734) 2.803 17.544 ( 0.029 1.228 -1.875) 2.242 17.544 ( -0.029 1.228 1.875) 2.242 17.718 ( 3.068 -3.618 -4.378) 6.455 17.718 ( -3.068 -3.618 4.378) 6.455 17.973 ( -0.025 1.560 -1.295) 2.027 17.973 ( 0.025 1.560 1.295) 2.027 18.192 ( 1.276 -2.303 -3.315) 4.233 18.192 ( -1.276 -2.303 3.315) 4.233 18.473 ( 1.770 -2.089 -2.185) 3.503 18.473 ( -1.770 -2.089 2.185) 3.503 18.779 ( 1.817 -6.613 -3.949) 7.913 18.779 ( -1.817 -6.613 3.949) 7.913 20.554 ( -0.327 -1.481 -0.753) 1.693 20.554 ( 0.327 -1.481 0.753) 1.693 20.743 ( 0.805 -2.306 -1.611) 2.926 20.743 ( -0.805 -2.306 1.611) 2.926 21.548 ( 0.077 1.056 -0.597) 1.216 21.548 ( -0.077 1.056 0.597) 1.216 21.582 ( 0.652 1.294 -2.007) 2.476 21.582 ( -0.652 1.294 2.007) 2.476 27.424 ( 0.193 -0.170 -0.473) 0.539 27.424 ( -0.193 -0.170 0.473) 0.539 27.464 ( -0.470 0.071 -0.638) 0.796 27.464 ( 0.470 0.071 0.638) 0.796 27.783 ( 0.033 1.724 -0.408) 1.772 27.783 ( -0.033 1.724 0.408) 1.772 27.868 ( 0.087 0.864 -0.777) 1.165 27.868 ( -0.087 0.864 0.777) 1.165 35.270 ( -5.926 1.900 0.697) 6.262 35.270 ( 5.926 1.900 -0.697) 6.262 35.687 ( -2.267 -1.352 -2.580) 3.691 35.687 ( 2.267 -1.352 2.580) 3.691 36.118 ( 1.547 0.484 -2.869) 3.296 36.118 ( -1.547 0.484 2.869) 3.296 36.682 ( 3.140 -2.209 -10.040) 10.749 36.682 ( -3.140 -2.209 10.040) 10.749 39.750 ( 2.071 -2.315 -4.909) 5.810 39.750 ( -2.071 -2.315 4.909) 5.810 40.070 ( -1.678 -8.011 -10.298) 13.155 40.070 ( 1.678 -8.011 10.298) 13.155 40.756 ( -8.145 11.671 -5.675) 15.322 40.756 ( 8.145 11.671 5.675) 15.322 41.461 ( 3.519 -3.156 -10.096) 11.148 41.461 ( -3.519 -3.156 10.096) 11.148 ======================= Grid point 149 (73/80) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 3.079 14.374 -15.718) 21.521 1.880 ( -7.404 4.754 7.080) 11.294 1.912 ( 4.484 16.267 -12.724) 21.134 2.150 ( -0.081 12.643 11.356) 16.994 2.487 ( -0.809 10.366 7.122) 12.603 2.525 ( 0.979 4.682 1.651) 5.060 2.661 ( -1.024 8.837 2.906) 9.359 2.747 ( 0.943 12.628 -9.673) 15.935 2.774 ( 3.126 -1.321 0.628) 3.451 2.893 ( -4.782 -3.484 1.397) 6.079 3.015 ( -2.089 0.789 -3.700) 4.321 3.160 ( 0.855 0.490 2.426) 2.619 3.184 ( -4.180 -0.898 -1.587) 4.560 3.246 ( -0.315 -0.462 -1.393) 1.501 3.304 ( 0.674 -0.080 -2.273) 2.372 3.346 ( -0.589 2.998 1.065) 3.236 3.455 ( 0.397 5.368 0.571) 5.413 3.502 ( -0.923 -0.115 -0.551) 1.081 3.558 ( -1.844 -1.176 3.042) 3.746 3.594 ( 1.755 0.095 -4.914) 5.219 3.685 ( 1.255 0.911 0.083) 1.553 3.736 ( 2.886 4.327 -2.508) 5.774 3.872 ( 0.870 2.671 -6.097) 6.713 4.098 ( 2.407 1.518 1.598) 3.263 4.140 ( 1.417 6.090 4.623) 7.776 4.159 ( 2.269 1.828 3.590) 4.624 4.347 ( -0.526 2.812 -2.730) 3.955 4.512 ( 0.743 -3.410 5.405) 6.433 4.535 ( -1.566 3.875 -2.943) 5.111 4.597 ( 1.197 10.160 0.917) 10.271 4.604 ( 1.180 0.371 -2.750) 3.016 4.753 ( 1.188 2.978 -0.334) 3.224 4.785 ( -2.906 5.771 2.441) 6.907 4.853 ( 1.130 2.695 3.328) 4.429 4.970 ( -2.097 -5.850 1.282) 6.345 5.033 ( 1.979 -4.053 -3.471) 5.691 5.291 ( 0.288 -1.668 -5.415) 5.673 5.357 ( -1.570 -3.988 1.856) 4.670 5.428 ( -0.164 -2.516 6.113) 6.613 5.467 ( 1.840 -2.619 2.411) 4.007 5.537 ( -6.296 -2.859 -1.162) 7.012 5.593 ( 2.432 -5.242 1.440) 5.955 5.638 ( 0.014 -4.816 3.268) 5.821 5.671 ( -4.318 -0.292 -2.343) 4.921 5.709 ( -2.625 -0.793 0.429) 2.776 5.852 ( 2.244 1.351 -0.951) 2.787 5.952 ( -2.076 -3.655 3.113) 5.231 6.188 ( -0.357 2.241 -1.475) 2.706 6.247 ( 0.455 -6.961 -3.804) 7.946 6.388 ( 0.067 6.288 4.738) 7.874 6.443 ( -1.256 2.216 -1.507) 2.959 6.525 ( 1.835 1.413 -2.455) 3.375 6.628 ( 1.496 0.316 -1.175) 1.928 6.689 ( 1.788 0.663 -0.291) 1.929 6.773 ( 6.641 -0.539 0.999) 6.738 6.850 ( -1.581 4.760 -2.563) 5.633 6.905 ( 6.408 0.294 2.765) 6.986 6.930 ( 1.611 0.591 -2.288) 2.860 6.999 ( -5.768 2.565 -0.508) 6.333 7.017 ( -0.387 1.517 -4.548) 4.810 7.061 ( 2.486 4.393 -5.122) 7.191 7.128 ( -0.097 -3.627 -0.807) 3.717 7.235 ( 0.660 0.409 -1.226) 1.451 7.248 ( -4.295 -0.764 0.281) 4.371 7.309 ( 5.808 3.575 -0.417) 6.833 7.371 ( -3.330 2.710 3.933) 5.823 7.455 ( -2.316 3.846 1.617) 4.772 7.465 ( 0.525 0.412 -1.533) 1.672 7.558 ( -0.463 -0.121 1.516) 1.590 7.598 ( 2.338 -4.605 0.374) 5.178 7.688 ( -2.993 -1.601 -0.931) 3.520 7.739 ( -8.029 -5.653 3.487) 10.420 7.801 ( -0.315 -0.640 0.316) 0.781 7.862 ( -2.875 -1.839 -3.711) 5.042 7.994 ( 6.813 -3.383 -2.652) 8.056 8.021 ( -0.504 0.101 3.702) 3.737 8.032 ( 1.828 -4.953 2.936) 6.041 8.130 ( 1.571 -0.474 -10.682) 10.807 8.218 ( -1.559 -1.656 -0.418) 2.312 8.269 ( -0.893 -1.951 2.520) 3.309 8.346 ( 0.687 3.618 4.993) 6.205 8.501 ( 2.624 2.609 0.263) 3.710 8.582 ( 4.359 -1.714 -2.507) 5.313 8.602 ( -0.012 -0.558 3.430) 3.475 8.793 ( -0.452 -5.024 -1.798) 5.355 8.924 ( 0.331 -1.092 1.914) 2.228 8.960 ( -7.332 2.019 0.040) 7.605 9.148 ( 0.342 1.290 -2.035) 2.434 9.362 ( -0.222 4.610 -3.684) 5.906 9.441 ( -2.580 1.691 3.166) 4.420 9.668 ( -1.491 -4.406 -0.733) 4.709 9.902 ( 2.259 -3.042 0.164) 3.793 10.354 ( -1.650 10.027 4.327) 11.045 10.505 ( 4.073 4.313 4.668) 7.548 10.684 ( -4.413 0.906 0.510) 4.533 10.725 ( 1.557 0.626 -5.231) 5.493 11.458 ( 4.054 3.946 -8.079) 9.863 11.510 ( -4.149 5.408 10.043) 12.138 12.188 ( -3.226 -4.525 5.533) 7.842 12.243 ( 3.831 -6.056 -5.753) 9.190 12.749 ( 2.301 4.229 -3.898) 6.194 12.800 ( -1.322 3.420 5.028) 6.223 13.371 ( -4.858 -9.050 7.600) 12.777 13.450 ( 3.688 -10.832 -5.088) 12.523 15.364 ( -1.955 4.423 -2.191) 5.309 15.474 ( -0.673 2.496 0.173) 2.591 16.348 ( 1.259 1.010 0.357) 1.653 16.374 ( 0.692 -0.005 2.561) 2.653 17.067 ( -1.871 1.302 2.206) 3.172 17.173 ( 3.931 -1.197 0.025) 4.109 17.232 ( -2.133 1.840 -3.114) 4.199 17.317 ( 0.942 -0.523 1.554) 1.891 17.485 ( -2.418 0.056 0.011) 2.418 17.563 ( 0.108 0.197 -2.029) 2.042 17.699 ( -2.437 -2.740 3.835) 5.306 17.759 ( 2.280 -2.088 -1.783) 3.569 17.983 ( 2.335 0.728 -0.528) 2.502 17.999 ( 1.340 1.154 0.917) 1.992 18.152 ( -2.180 -1.574 -0.615) 2.758 18.189 ( -1.855 -1.989 0.371) 2.745 18.440 ( -1.969 -3.347 2.158) 4.442 18.501 ( 1.565 -2.165 -1.002) 2.853 18.765 ( 0.794 -6.701 -2.457) 7.181 18.792 ( -0.253 -6.229 0.347) 6.244 20.545 ( 0.136 -0.869 -0.266) 0.919 20.570 ( 0.449 -1.819 1.003) 2.125 20.717 ( -2.194 -1.693 -0.597) 2.834 20.722 ( -0.855 -1.612 -2.070) 2.759 21.543 ( 0.211 1.013 -0.726) 1.265 21.552 ( 0.070 1.136 0.043) 1.139 21.569 ( -0.075 1.259 -1.168) 1.719 21.579 ( -1.674 1.350 1.867) 2.848 27.408 ( -1.126 0.439 1.059) 1.606 27.429 ( -0.130 -0.056 -0.790) 0.802 27.456 ( 0.730 -0.196 0.041) 0.757 27.486 ( 0.867 -0.483 -0.249) 1.023 27.780 ( 0.031 1.628 0.077) 1.631 27.790 ( 0.129 1.651 0.387) 1.701 27.857 ( -0.217 0.872 -0.870) 1.251 27.868 ( -0.594 0.983 0.492) 1.249 35.243 ( 2.013 1.388 1.307) 2.772 35.436 ( 10.979 1.962 -0.610) 11.169 35.596 ( -4.006 -2.432 -1.164) 4.829 35.778 ( 3.960 -0.707 0.969) 4.138 36.074 ( -3.505 0.688 0.033) 3.572 36.116 ( -0.293 1.027 -1.420) 1.777 36.617 ( 0.172 -2.005 -4.818) 5.221 36.725 ( -1.479 -3.459 3.531) 5.159 39.744 ( 0.541 -0.505 1.556) 1.723 39.787 ( 0.568 -3.337 2.850) 4.425 39.957 ( 0.349 -5.251 -8.675) 10.147 40.156 ( -5.480 -10.446 7.449) 13.951 40.605 ( 0.331 13.033 -1.109) 13.084 40.962 ( 5.987 8.411 0.987) 10.371 41.359 ( -3.285 -3.636 1.063) 5.014 41.541 ( 2.216 -3.821 -0.350) 4.431 ======================= Grid point 150 (74/80) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 7.060 11.596 -14.765) 20.058 1.742 ( -12.298 7.582 8.114) 16.570 1.952 ( 10.798 16.813 -8.697) 21.793 2.108 ( -11.199 14.109 5.602) 18.864 2.598 ( 1.917 10.066 9.252) 13.806 2.626 ( 4.589 2.150 6.590) 8.313 2.700 ( -0.011 1.441 -1.415) 2.019 2.726 ( 3.208 3.005 -3.151) 5.409 2.786 ( -0.520 6.444 -4.887) 8.105 2.846 ( -0.735 7.488 0.603) 7.548 2.949 ( -1.647 1.995 2.259) 3.435 3.040 ( -3.995 -0.415 -6.004) 7.223 3.208 ( 0.996 1.238 2.453) 2.923 3.247 ( 0.081 -1.792 -0.946) 2.028 3.318 ( 2.536 -0.679 -2.364) 3.533 3.343 ( -1.451 1.545 1.008) 2.347 3.454 ( -0.058 -0.516 0.881) 1.022 3.479 ( -1.308 -0.589 -0.071) 1.436 3.550 ( -2.325 -0.663 2.968) 3.828 3.552 ( 0.737 0.670 -4.580) 4.687 3.712 ( 2.531 -0.919 -0.340) 2.714 3.783 ( -1.300 1.334 -4.179) 4.575 3.858 ( 6.475 4.194 2.082) 7.991 4.052 ( -9.501 3.972 -2.085) 10.507 4.166 ( 3.104 2.987 1.043) 4.432 4.211 ( -0.282 4.064 0.539) 4.109 4.385 ( 4.787 2.382 0.105) 5.348 4.467 ( -1.944 1.351 -2.309) 3.307 4.576 ( 0.373 -2.135 3.427) 4.055 4.608 ( 1.914 3.076 -2.731) 4.537 4.674 ( 1.477 8.314 0.847) 8.487 4.740 ( -4.842 8.897 3.088) 10.590 4.791 ( 4.405 2.772 0.991) 5.298 4.873 ( -2.269 1.430 0.870) 2.820 4.972 ( -0.022 -7.179 4.348) 8.393 5.018 ( 1.264 -4.583 -5.628) 7.367 5.254 ( 1.989 -5.409 -5.246) 7.793 5.296 ( -6.094 -5.402 2.889) 8.641 5.427 ( 0.407 -2.507 0.043) 2.540 5.461 ( -2.625 -1.636 2.064) 3.718 5.518 ( 1.573 0.740 0.726) 1.884 5.571 ( -3.340 0.142 -0.247) 3.353 5.651 ( 0.371 2.479 -0.363) 2.532 5.667 ( -1.626 -0.752 2.012) 2.694 5.745 ( 3.816 -2.076 6.444) 7.772 5.854 ( -0.171 -0.848 -5.289) 5.360 5.994 ( 1.803 -4.376 5.143) 6.990 6.103 ( -4.113 -2.135 -4.243) 6.283 6.260 ( 4.425 -1.196 0.418) 4.603 6.383 ( -4.543 1.358 -0.692) 4.792 6.454 ( 0.528 1.247 4.937) 5.119 6.505 ( 0.238 0.056 -4.353) 4.359 6.682 ( 3.953 1.132 -2.495) 4.810 6.728 ( -1.218 -1.327 1.891) 2.612 6.783 ( 2.289 4.316 -1.977) 5.270 6.877 ( -2.498 0.724 -3.002) 3.972 6.898 ( 3.230 2.974 0.841) 4.470 6.936 ( -0.898 6.940 -0.601) 7.023 7.015 ( 4.216 -0.170 -4.472) 6.148 7.026 ( 2.166 1.289 -1.158) 2.774 7.056 ( 2.602 -2.355 -1.848) 3.966 7.144 ( -4.780 0.128 -0.211) 4.786 7.194 ( 0.805 -0.119 1.845) 2.016 7.251 ( 3.132 1.558 2.253) 4.161 7.298 ( -3.017 5.041 2.123) 6.247 7.389 ( 3.806 1.589 -1.998) 4.583 7.418 ( -2.995 -2.746 -0.048) 4.063 7.445 ( -3.237 2.640 1.000) 4.295 7.559 ( 0.813 -0.338 -3.186) 3.305 7.590 ( -8.423 -0.928 5.106) 9.893 7.642 ( 3.476 -4.588 -0.392) 5.769 7.694 ( -1.705 -0.796 2.164) 2.868 7.769 ( 0.500 0.156 -0.659) 0.841 7.824 ( -1.065 1.882 -3.788) 4.362 8.010 ( 2.418 -0.314 -2.686) 3.628 8.040 ( 0.779 0.549 -1.698) 1.947 8.083 ( 1.353 -6.080 1.739) 6.467 8.125 ( -0.968 -8.190 1.894) 8.461 8.217 ( 1.101 -2.346 2.006) 3.277 8.254 ( -1.291 -1.017 -0.912) 1.880 8.428 ( 0.255 3.583 6.065) 7.049 8.486 ( -0.326 2.608 -6.662) 7.162 8.638 ( 2.868 -3.322 1.649) 4.688 8.657 ( 2.549 -1.394 0.755) 3.002 8.774 ( 0.238 -1.123 -2.979) 3.193 8.820 ( -6.392 0.941 0.668) 6.496 8.968 ( 2.364 -0.295 3.658) 4.366 9.067 ( -3.774 1.274 -3.336) 5.196 9.373 ( 3.323 3.006 -3.575) 5.732 9.410 ( -3.707 3.178 2.825) 5.641 9.731 ( 4.767 -4.472 5.056) 8.264 9.869 ( -3.271 -3.319 -4.045) 6.170 10.414 ( 2.516 8.489 5.913) 10.647 10.547 ( -4.939 3.831 -3.420) 7.125 10.628 ( 0.689 1.523 5.319) 5.575 10.691 ( 0.522 -0.079 -5.770) 5.795 11.471 ( 6.011 4.113 -8.625) 11.289 11.505 ( -6.562 5.014 9.612) 12.672 12.205 ( -1.257 -4.891 5.828) 7.712 12.238 ( 1.821 -5.671 -5.886) 8.374 12.776 ( 3.038 3.198 -1.861) 4.787 12.807 ( -2.098 2.654 2.575) 4.252 13.385 ( -2.446 -9.010 9.066) 13.014 13.437 ( 1.588 -10.325 -7.387) 12.794 15.355 ( 1.849 5.442 0.710) 5.791 15.424 ( -3.101 4.129 -1.811) 5.473 16.385 ( 1.676 1.026 0.314) 1.990 16.401 ( -0.446 0.355 1.551) 1.652 17.083 ( 0.831 2.342 2.959) 3.864 17.150 ( -2.742 2.476 -3.009) 4.764 17.254 ( 3.990 -1.667 0.956) 4.428 17.325 ( -1.893 -1.439 -0.073) 2.379 17.472 ( 1.522 -0.885 0.067) 1.762 17.524 ( -1.975 -0.935 -1.775) 2.815 17.701 ( -0.897 -1.129 3.864) 4.124 17.743 ( -1.029 -0.654 -2.865) 3.113 18.031 ( 1.948 1.416 0.388) 2.439 18.041 ( 2.157 -0.968 -0.617) 2.443 18.114 ( -0.519 -0.787 -0.424) 1.034 18.142 ( -3.097 -1.808 0.697) 3.654 18.459 ( 0.555 -4.587 3.839) 6.007 18.504 ( 0.060 -3.955 -2.407) 4.630 18.758 ( 1.872 -5.723 -3.533) 6.981 18.774 ( -2.256 -5.522 1.619) 6.181 20.558 ( 1.085 -0.563 0.491) 1.317 20.582 ( -0.520 -1.648 0.363) 1.766 20.670 ( -1.121 -0.233 -0.342) 1.195 20.682 ( -0.942 -0.888 -1.838) 2.248 21.544 ( 0.668 1.075 -0.673) 1.434 21.552 ( -0.176 1.203 0.031) 1.216 21.559 ( 0.189 1.131 -1.015) 1.531 21.563 ( -1.551 1.423 1.593) 2.639 27.406 ( -0.506 0.533 1.653) 1.809 27.417 ( 0.121 0.244 -1.483) 1.508 27.475 ( 0.904 -0.681 0.224) 1.154 27.489 ( -0.206 -0.754 -0.285) 0.832 27.785 ( 0.421 1.458 0.007) 1.518 27.792 ( -0.345 1.460 0.362) 1.543 27.850 ( 0.463 1.045 -0.822) 1.408 27.858 ( -0.929 1.090 0.505) 1.518 35.344 ( 5.860 0.065 1.884) 6.155 35.474 ( -5.214 0.455 -1.882) 5.562 35.669 ( 10.262 -2.152 0.902) 10.524 35.818 ( -2.525 -1.819 -0.308) 3.128 36.020 ( -0.440 2.901 1.078) 3.126 36.075 ( -2.525 2.590 -1.706) 3.999 36.619 ( 4.279 -3.553 -3.162) 6.398 36.690 ( -4.792 -4.318 2.162) 6.803 39.801 ( 1.386 0.443 4.349) 4.585 39.824 ( 0.660 -2.910 1.619) 3.395 39.913 ( 4.547 -4.648 -8.006) 10.313 40.020 ( -10.212 -4.174 2.062) 11.223 40.735 ( 7.870 5.815 5.141) 11.053 40.928 ( -5.861 5.105 -4.587) 9.025 41.416 ( 4.268 -3.682 4.743) 7.366 41.526 ( -2.110 -4.203 -3.002) 5.579 ======================= Grid point 153 (75/80) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 4.117 10.408 -8.138) 13.839 2.087 ( -4.117 10.408 8.138) 13.839 2.261 ( -1.362 11.693 -8.359) 14.438 2.261 ( 1.362 11.693 8.359) 14.438 2.509 ( 1.363 -1.690 -3.355) 3.996 2.509 ( -1.363 -1.690 3.355) 3.996 2.677 ( 0.055 -5.278 -5.720) 7.783 2.677 ( -0.055 -5.278 5.720) 7.783 3.002 ( 2.287 -5.664 -5.126) 7.974 3.002 ( -2.287 -5.664 5.126) 7.974 3.111 ( 1.316 12.989 -2.621) 13.316 3.111 ( -1.316 12.989 2.621) 13.316 3.258 ( -1.552 1.348 -1.630) 2.623 3.258 ( 1.552 1.348 1.630) 2.623 3.410 ( 0.109 1.741 -3.626) 4.024 3.410 ( -0.109 1.741 3.626) 4.024 3.535 ( 3.080 1.107 -3.639) 4.895 3.535 ( -3.080 1.107 3.639) 4.895 3.583 ( -0.110 2.723 -3.219) 4.218 3.583 ( 0.110 2.723 3.219) 4.218 3.789 ( 3.012 6.325 -2.820) 7.552 3.789 ( -3.012 6.325 2.820) 7.552 4.049 ( -2.715 -0.095 -4.960) 5.655 4.049 ( 2.715 -0.095 4.960) 5.655 4.110 ( -3.921 1.262 -4.293) 5.949 4.110 ( 3.921 1.262 4.293) 5.949 4.403 ( -1.018 -3.438 -1.918) 4.066 4.403 ( 1.018 -3.438 1.918) 4.066 4.645 ( -0.592 3.839 -0.391) 3.904 4.645 ( 0.592 3.839 0.391) 3.904 4.762 ( -0.551 2.114 -3.763) 4.352 4.762 ( 0.551 2.114 3.763) 4.352 4.858 ( -0.356 -1.141 -0.491) 1.292 4.858 ( 0.356 -1.141 0.491) 1.292 4.986 ( 0.630 5.226 -2.523) 5.837 4.986 ( -0.630 5.226 2.523) 5.837 5.277 ( -0.925 -5.429 -1.392) 5.680 5.277 ( 0.925 -5.429 1.392) 5.680 5.365 ( -1.409 1.326 -6.019) 6.323 5.365 ( 1.409 1.326 6.019) 6.323 5.452 ( -2.192 -4.747 -1.279) 5.383 5.452 ( 2.192 -4.747 1.279) 5.383 5.623 ( -3.334 -4.199 -6.259) 8.241 5.623 ( 3.334 -4.199 6.259) 8.241 5.797 ( 2.779 0.539 -6.594) 7.176 5.797 ( -2.779 0.539 6.594) 7.176 6.001 ( -2.987 -1.087 -1.652) 3.582 6.001 ( 2.987 -1.087 1.652) 3.582 6.410 ( -2.966 2.293 -5.285) 6.480 6.410 ( 2.966 2.293 5.285) 6.480 6.576 ( 1.313 -4.478 -2.278) 5.193 6.576 ( -1.313 -4.478 2.278) 5.193 6.602 ( 2.670 5.604 -4.408) 7.613 6.602 ( -2.670 5.604 4.408) 7.613 6.745 ( -3.108 0.573 -2.251) 3.881 6.745 ( 3.108 0.573 2.252) 3.881 6.983 ( 0.273 3.635 -2.661) 4.513 6.983 ( -0.273 3.635 2.661) 4.513 7.040 ( -2.171 -1.314 -0.311) 2.556 7.040 ( 2.171 -1.314 0.311) 2.556 7.147 ( -2.021 -2.299 -0.430) 3.091 7.147 ( 2.021 -2.299 0.430) 3.091 7.229 ( 0.060 1.679 -5.380) 5.636 7.229 ( -0.060 1.679 5.380) 5.636 7.384 ( -3.067 4.183 -3.618) 6.324 7.384 ( 3.067 4.183 3.618) 6.324 7.486 ( -0.808 -0.975 -3.759) 3.966 7.486 ( 0.808 -0.975 3.759) 3.966 7.554 ( 0.490 0.855 -3.094) 3.247 7.554 ( -0.490 0.855 3.094) 3.247 7.660 ( -0.051 -4.709 -0.992) 4.813 7.660 ( 0.051 -4.709 0.992) 4.813 7.835 ( 1.322 -2.530 -3.388) 4.430 7.835 ( -1.322 -2.530 3.388) 4.430 7.871 ( -0.705 -0.960 -2.056) 2.376 7.871 ( 0.705 -0.960 2.056) 2.376 8.090 ( -2.424 -1.093 -0.932) 2.817 8.090 ( 2.424 -1.093 0.932) 2.817 8.265 ( -4.660 -4.393 -2.212) 6.775 8.265 ( 4.660 -4.393 2.212) 6.775 8.362 ( 0.265 3.713 -3.627) 5.197 8.362 ( -0.265 3.713 3.627) 5.197 8.615 ( 3.598 2.609 -1.761) 4.780 8.615 ( -3.598 2.609 1.761) 4.780 8.812 ( -3.474 -2.239 -2.848) 5.019 8.812 ( 3.474 -2.239 2.848) 5.019 9.116 ( -2.820 1.206 -1.854) 3.584 9.116 ( 2.820 1.206 1.854) 3.584 9.493 ( 0.067 4.081 -3.537) 5.401 9.493 ( -0.067 4.081 3.537) 5.401 9.706 ( -5.758 -4.642 -4.461) 8.637 9.706 ( 5.758 -4.642 4.461) 8.637 10.540 ( 0.558 5.648 -2.023) 6.025 10.540 ( -0.558 5.648 2.023) 6.025 10.716 ( 2.536 -1.409 -3.974) 4.920 10.716 ( -2.536 -1.409 3.974) 4.920 11.559 ( 2.971 2.976 -8.922) 9.863 11.559 ( -2.971 2.976 8.922) 9.863 12.118 ( 3.000 -3.599 -5.712) 7.387 12.118 ( -3.000 -3.599 5.712) 7.387 12.877 ( 3.887 6.393 -8.519) 11.338 12.877 ( -3.887 6.393 8.519) 11.338 13.209 ( 6.017 -9.434 -9.364) 14.591 13.209 ( -6.017 -9.434 9.364) 14.591 15.489 ( -0.595 1.902 -2.552) 3.237 15.489 ( 0.595 1.902 2.552) 3.237 16.343 ( 0.144 -0.251 -0.908) 0.953 16.343 ( -0.144 -0.251 0.908) 0.953 17.130 ( 1.687 2.121 -2.142) 3.454 17.130 ( -1.687 2.121 2.142) 3.454 17.284 ( 0.902 -0.499 -2.855) 3.035 17.284 ( -0.902 -0.499 2.855) 3.035 17.555 ( -0.778 0.102 -0.876) 1.176 17.555 ( 0.778 0.102 0.876) 1.176 17.640 ( 1.363 -3.512 -3.163) 4.919 17.640 ( -1.363 -3.512 3.163) 4.919 17.991 ( -0.349 -0.024 -1.039) 1.096 17.991 ( 0.349 -0.024 1.039) 1.096 18.141 ( 1.263 -1.969 -2.593) 3.492 18.141 ( -1.263 -1.969 2.593) 3.492 18.457 ( 1.437 0.204 -2.120) 2.569 18.457 ( -1.437 0.204 2.120) 2.569 18.664 ( 1.462 -4.289 -3.342) 5.630 18.664 ( -1.462 -4.289 3.342) 5.630 20.535 ( -0.049 -0.454 -0.420) 0.620 20.535 ( 0.049 -0.454 0.420) 0.620 20.699 ( 0.326 -1.771 -0.816) 1.977 20.699 ( -0.326 -1.771 0.816) 1.977 21.569 ( 0.248 0.905 -0.934) 1.325 21.569 ( -0.248 0.905 0.934) 1.325 21.598 ( 0.592 0.309 -1.825) 1.943 21.598 ( -0.592 0.309 1.825) 1.943 27.424 ( 0.392 0.140 -0.483) 0.638 27.424 ( -0.392 0.140 0.483) 0.638 27.463 ( -0.209 -0.141 -0.619) 0.668 27.463 ( 0.209 -0.141 0.619) 0.668 27.819 ( 0.149 1.687 -0.565) 1.785 27.819 ( -0.149 1.687 0.565) 1.785 27.877 ( 0.122 -0.024 -0.818) 0.828 27.877 ( -0.122 -0.024 0.818) 0.828 35.304 ( -3.925 1.327 0.221) 4.150 35.304 ( 3.925 1.327 -0.221) 4.150 35.660 ( -1.752 -1.089 -2.118) 2.957 35.660 ( 1.752 -1.089 2.118) 2.957 36.135 ( 1.568 1.022 -3.036) 3.567 36.135 ( -1.568 1.022 3.036) 3.567 36.633 ( 2.617 -2.212 -6.988) 7.783 36.633 ( -2.617 -2.212 6.988) 7.783 39.735 ( 1.159 0.668 -3.779) 4.009 39.735 ( -1.159 0.668 3.779) 4.009 39.915 ( -0.311 -6.529 -6.535) 9.242 39.915 ( 0.311 -6.529 6.535) 9.242 40.992 ( -2.526 10.986 -8.584) 14.168 40.992 ( 2.526 10.986 8.584) 14.168 41.365 ( 3.272 -6.157 -10.544) 12.641 41.365 ( -3.272 -6.157 10.544) 12.641 ======================= Grid point 155 (76/80) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( -5.223 9.786 -0.100) 11.093 2.067 ( -2.727 14.421 -5.894) 15.816 2.210 ( 1.772 10.792 -1.218) 11.004 2.400 ( 0.833 10.534 8.011) 13.260 2.485 ( 1.962 -3.813 -1.831) 4.663 2.540 ( 1.496 -0.962 -0.074) 1.780 2.623 ( 0.618 -5.441 -2.797) 6.149 2.738 ( -0.497 -7.535 3.982) 8.537 2.967 ( -0.360 -3.356 -5.219) 6.215 3.008 ( -1.638 -1.750 2.858) 3.730 3.042 ( -2.879 12.426 1.322) 12.824 3.158 ( 1.570 8.970 -0.060) 9.107 3.217 ( -2.746 1.637 1.048) 3.364 3.284 ( -0.006 0.226 -0.851) 0.880 3.334 ( -1.155 6.153 -4.908) 7.955 3.397 ( -1.145 2.091 -0.046) 2.385 3.467 ( -4.434 -2.094 1.915) 5.264 3.536 ( -2.618 -1.474 2.248) 3.752 3.586 ( 2.358 3.580 -3.957) 5.834 3.623 ( 0.410 5.308 0.194) 5.328 3.770 ( -1.458 7.985 1.014) 8.180 3.845 ( 4.103 3.294 -1.167) 5.390 3.927 ( -2.278 4.372 -5.810) 7.620 4.084 ( 3.353 -3.810 -0.592) 5.110 4.138 ( 2.524 -3.295 2.890) 5.058 4.244 ( 3.066 2.558 1.245) 4.182 4.348 ( -2.025 -2.412 -1.363) 3.432 4.393 ( -2.075 -4.651 0.496) 5.117 4.602 ( 0.549 2.258 -3.534) 4.230 4.652 ( 2.440 3.012 -4.623) 6.033 4.766 ( 2.036 2.861 1.421) 3.788 4.800 ( 2.105 1.587 -1.676) 3.124 4.816 ( -0.569 -0.080 -0.459) 0.735 4.866 ( -1.006 -3.154 2.920) 4.415 4.987 ( -1.518 5.891 1.482) 6.261 5.050 ( 0.764 7.661 2.358) 8.052 5.242 ( -1.810 -2.954 -6.965) 7.778 5.279 ( -2.490 -4.168 2.107) 5.292 5.363 ( -0.365 -2.343 0.540) 2.431 5.428 ( -0.228 -3.531 1.308) 3.773 5.463 ( 5.936 -3.093 5.616) 8.738 5.519 ( 2.024 -3.962 3.091) 5.418 5.543 ( 0.287 1.311 -0.598) 1.470 5.694 ( -3.052 -1.816 1.378) 3.810 5.710 ( -2.647 2.495 2.294) 4.301 5.827 ( -1.510 -4.370 8.072) 9.303 5.936 ( 1.136 2.796 -3.797) 4.851 6.098 ( 3.495 -5.363 -4.389) 7.761 6.281 ( -3.274 5.234 -2.135) 6.532 6.447 ( -1.274 0.653 1.231) 1.889 6.507 ( -5.138 1.449 0.698) 5.383 6.534 ( -0.666 -0.821 -2.534) 2.746 6.650 ( -0.637 1.210 -1.131) 1.775 6.722 ( 5.276 -2.645 2.914) 6.582 6.735 ( 8.518 5.288 -3.112) 10.498 6.814 ( 2.659 -4.018 1.520) 5.052 6.936 ( -0.431 -2.154 -2.208) 3.114 6.983 ( 0.602 2.544 -2.877) 3.887 7.007 ( -1.561 1.601 -2.278) 3.192 7.061 ( -2.348 -3.194 -1.101) 4.114 7.081 ( 1.938 4.493 -1.510) 5.121 7.150 ( 0.037 1.905 -1.707) 2.558 7.205 ( 0.035 1.607 -1.743) 2.371 7.329 ( 3.034 -0.244 4.272) 5.245 7.369 ( 2.642 5.768 0.789) 6.394 7.430 ( -1.102 -0.886 -3.478) 3.755 7.462 ( -0.440 2.431 0.175) 2.476 7.499 ( -2.929 -0.548 2.001) 3.589 7.534 ( -0.812 -0.675 1.856) 2.136 7.574 ( 0.351 0.054 3.547) 3.565 7.594 ( -2.992 -2.955 -2.409) 4.846 7.682 ( -0.301 -0.918 2.324) 2.517 7.815 ( -2.481 -0.760 0.740) 2.698 7.836 ( 2.435 0.387 -3.974) 4.677 7.878 ( 2.644 -6.109 0.631) 6.686 7.934 ( 3.704 -2.632 -1.169) 4.692 8.022 ( -3.400 -1.600 -0.371) 3.776 8.102 ( -0.522 -2.787 -7.260) 7.794 8.179 ( -1.617 0.506 -0.164) 1.702 8.288 ( -0.687 0.631 -0.145) 0.944 8.411 ( 2.457 1.218 3.935) 4.797 8.478 ( 8.242 -1.793 1.331) 8.539 8.582 ( -1.801 0.435 3.428) 3.897 8.607 ( -2.753 0.975 -2.003) 3.541 8.726 ( -0.951 -0.551 -1.219) 1.641 8.861 ( -1.757 -4.239 2.207) 5.092 9.040 ( -3.573 4.639 -0.172) 5.858 9.164 ( -0.810 -0.348 -0.033) 0.882 9.445 ( -1.110 3.093 -1.982) 3.837 9.522 ( 0.163 6.612 2.380) 7.029 9.581 ( -1.947 -3.903 -2.043) 4.816 9.816 ( 1.567 -5.611 1.595) 6.041 10.526 ( -0.128 6.698 1.192) 6.804 10.579 ( 1.096 3.230 1.884) 3.896 10.689 ( -2.803 -0.306 1.917) 3.410 10.722 ( 1.237 -1.404 -3.602) 4.059 11.530 ( 2.706 3.191 -6.439) 7.679 11.588 ( -3.346 1.833 7.634) 8.534 12.107 ( -0.890 -2.937 1.537) 3.433 12.136 ( 0.454 -4.064 0.331) 4.103 12.862 ( 1.322 6.656 -2.756) 7.325 12.895 ( -1.244 5.984 3.510) 7.048 13.186 ( -4.215 -8.895 7.386) 12.306 13.236 ( 3.964 -10.037 -6.188) 12.440 15.450 ( -0.362 3.674 -1.943) 4.172 15.510 ( -0.588 0.870 1.023) 1.466 16.358 ( 1.574 0.077 0.348) 1.614 16.368 ( 0.849 -0.503 2.090) 2.311 17.112 ( -1.399 2.826 2.875) 4.267 17.170 ( 1.908 0.548 0.903) 2.181 17.259 ( -0.088 0.848 -3.442) 3.546 17.303 ( 0.716 -0.790 0.495) 1.175 17.481 ( -3.413 -0.137 -0.416) 3.441 17.540 ( -1.188 -2.157 -2.993) 3.876 17.648 ( -0.337 -1.865 3.016) 3.562 17.695 ( 2.297 -3.507 0.213) 4.198 17.983 ( 0.994 -0.148 -0.615) 1.178 18.019 ( 1.335 -0.269 0.634) 1.502 18.122 ( -1.422 -0.807 0.594) 1.740 18.140 ( -0.877 -2.130 -0.011) 2.303 18.420 ( -2.053 1.090 0.994) 2.528 18.476 ( 1.085 -0.607 -2.039) 2.388 18.652 ( 0.542 -3.976 -1.306) 4.221 18.676 ( -0.211 -4.824 0.543) 4.859 20.535 ( 0.382 -0.210 -0.023) 0.437 20.544 ( 0.311 -0.775 0.699) 1.089 20.683 ( -0.769 -1.323 -1.027) 1.843 20.690 ( -0.742 -1.437 -0.665) 1.749 21.563 ( 0.341 0.906 -1.027) 1.411 21.572 ( 0.059 0.783 0.044) 0.786 21.587 ( -0.096 0.509 -1.061) 1.181 21.597 ( -1.458 0.350 1.868) 2.395 27.419 ( -0.474 0.548 0.631) 0.961 27.429 ( 0.165 0.010 -0.356) 0.392 27.454 ( 0.139 0.030 -0.303) 0.335 27.474 ( 0.149 -0.711 0.225) 0.760 27.815 ( -0.121 1.626 0.018) 1.631 27.823 ( -0.164 1.476 0.477) 1.560 27.868 ( 0.070 0.214 -0.969) 0.995 27.879 ( -0.410 0.015 0.454) 0.612 35.286 ( 1.678 2.739 0.734) 3.295 35.424 ( 7.063 -2.978 0.102) 7.666 35.602 ( -1.377 2.838 -1.017) 3.314 35.743 ( 3.580 -2.690 0.779) 4.545 36.100 ( -2.206 1.698 -0.177) 2.789 36.135 ( 0.232 0.628 -1.371) 1.526 36.581 ( -1.318 -1.131 -2.849) 3.337 36.647 ( -1.968 -3.811 1.833) 4.664 39.739 ( 2.330 -0.184 -1.750) 2.920 39.763 ( -0.478 0.788 4.540) 4.633 39.853 ( -0.022 -4.054 -4.617) 6.145 39.966 ( -2.474 -7.760 5.933) 10.077 40.875 ( -0.288 12.717 -4.989) 13.663 41.131 ( 1.179 7.987 3.101) 8.649 41.264 ( -1.531 -5.834 -1.168) 6.143 41.434 ( 1.022 -6.404 1.309) 6.616 ======================= Grid point 156 (77/80) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -1.336 11.935 -1.181) 12.068 1.945 ( -3.908 13.210 -2.330) 13.972 2.269 ( 5.486 12.069 -1.080) 13.301 2.375 ( -5.922 9.875 1.525) 11.615 2.518 ( 2.297 -7.783 -0.016) 8.115 2.579 ( -2.598 -7.836 -1.581) 8.405 2.670 ( 5.330 1.856 6.264) 8.431 2.765 ( 0.990 -0.390 -1.259) 1.649 2.900 ( -0.925 -2.707 -0.042) 2.862 2.980 ( -2.441 -6.461 -4.635) 8.317 3.057 ( -0.117 11.069 5.060) 12.172 3.109 ( -2.472 7.489 -3.487) 8.623 3.222 ( 1.547 1.711 3.421) 4.126 3.278 ( 0.145 -0.046 -2.127) 2.133 3.322 ( 1.656 5.811 0.764) 6.091 3.377 ( -1.567 0.929 -0.911) 2.037 3.420 ( -1.372 -1.383 2.728) 3.352 3.487 ( -2.572 0.632 -3.594) 4.464 3.571 ( -1.051 3.479 1.574) 3.960 3.601 ( -1.020 3.205 -3.429) 4.803 3.769 ( 2.358 6.399 0.449) 6.834 3.834 ( -2.149 4.260 -1.606) 5.034 3.955 ( 5.965 5.041 0.620) 7.835 4.100 ( -6.183 -1.396 -1.613) 6.541 4.195 ( 4.287 -1.026 0.976) 4.515 4.260 ( 0.200 1.073 -0.304) 1.133 4.329 ( 1.019 -6.531 0.445) 6.625 4.372 ( -1.716 -6.339 0.251) 6.572 4.622 ( 3.902 3.563 -1.893) 5.613 4.665 ( 2.445 2.914 -3.048) 4.875 4.765 ( -1.392 0.688 1.130) 1.921 4.817 ( -0.785 -3.563 0.384) 3.669 4.868 ( 1.768 1.389 -0.388) 2.282 4.906 ( 3.696 2.281 -1.151) 4.493 4.947 ( -2.605 6.110 4.599) 8.079 5.014 ( -3.138 5.599 -1.691) 6.638 5.156 ( 0.274 -3.730 -4.476) 5.833 5.196 ( -5.655 -3.981 0.452) 6.931 5.384 ( 0.023 -1.793 1.898) 2.611 5.407 ( -0.933 -1.889 -1.244) 2.446 5.565 ( 1.929 -1.176 1.229) 2.572 5.574 ( 1.099 2.138 2.378) 3.381 5.605 ( 0.709 -3.421 4.578) 5.758 5.646 ( -1.582 -1.296 -1.227) 2.385 5.775 ( 3.328 3.305 5.932) 7.563 5.885 ( -1.942 2.604 -3.392) 4.697 5.913 ( 1.317 -3.233 5.739) 6.717 6.025 ( -3.035 -4.167 -7.059) 8.741 6.306 ( 4.495 4.625 2.262) 6.834 6.405 ( -2.603 0.430 -1.712) 3.146 6.471 ( -0.946 0.463 3.628) 3.777 6.507 ( 0.548 -0.079 -3.850) 3.890 6.673 ( 2.148 -0.733 2.120) 3.106 6.732 ( -1.445 1.007 -2.328) 2.919 6.841 ( 4.113 -2.449 -2.293) 5.308 6.883 ( -0.370 -4.750 -2.425) 5.346 6.915 ( 1.865 2.635 -1.213) 3.449 6.937 ( -3.881 4.933 0.858) 6.335 7.012 ( 5.944 -1.233 -2.852) 6.707 7.054 ( -0.232 0.671 4.011) 4.073 7.115 ( 2.407 4.241 -2.937) 5.692 7.125 ( -0.202 -0.975 -2.398) 2.597 7.243 ( 3.852 2.365 2.761) 5.297 7.348 ( -4.367 1.989 2.541) 5.430 7.370 ( -3.005 4.734 -0.141) 5.609 7.387 ( -0.173 2.093 -4.435) 4.907 7.453 ( -1.387 1.141 0.844) 1.985 7.472 ( 0.209 -2.816 0.414) 2.854 7.533 ( 1.021 1.713 2.858) 3.485 7.548 ( 0.377 1.746 -2.318) 2.926 7.610 ( -0.766 -1.697 2.820) 3.379 7.659 ( -4.746 -1.081 2.230) 5.354 7.798 ( 1.698 0.761 -1.235) 2.233 7.837 ( 0.845 -1.539 -3.564) 3.973 7.933 ( 0.244 -4.590 -2.262) 5.123 7.942 ( -1.702 -5.927 0.630) 6.198 7.984 ( 3.907 -3.816 -3.755) 6.628 8.023 ( -2.040 -4.833 2.282) 5.720 8.195 ( 2.208 0.358 0.215) 2.247 8.251 ( -3.292 -0.219 -0.119) 3.302 8.473 ( 0.121 0.810 2.764) 2.883 8.514 ( -1.353 -0.550 -2.310) 2.733 8.611 ( 3.980 1.475 -0.886) 4.336 8.657 ( 1.490 1.706 2.532) 3.397 8.728 ( 3.229 -1.041 0.453) 3.423 8.832 ( -4.196 -1.804 1.663) 4.861 8.986 ( 0.112 2.456 1.051) 2.674 9.080 ( -4.876 -0.443 -2.917) 5.699 9.444 ( 1.184 3.574 1.108) 3.924 9.497 ( -2.170 4.521 -1.929) 5.373 9.650 ( 5.839 -2.904 3.777) 7.536 9.787 ( -4.189 -4.919 -1.859) 6.723 10.558 ( 2.296 5.562 0.662) 6.054 10.602 ( -1.615 2.421 1.773) 3.408 10.662 ( -1.725 0.832 3.377) 3.882 10.692 ( 0.463 -0.328 -5.029) 5.061 11.539 ( 4.672 2.606 -6.033) 8.063 11.576 ( -5.263 1.745 6.655) 8.662 12.115 ( 0.311 -3.331 1.175) 3.546 12.134 ( -0.697 -4.035 -0.122) 4.096 12.874 ( 2.078 6.245 -1.764) 6.814 12.894 ( -1.835 5.883 2.156) 6.529 13.198 ( -2.638 -9.127 7.900) 12.356 13.229 ( 2.377 -9.866 -7.056) 12.360 15.450 ( 1.570 3.713 -0.342) 4.045 15.488 ( -1.945 1.952 -0.112) 2.758 16.394 ( 1.472 0.008 -0.079) 1.475 16.399 ( 0.065 -0.354 1.619) 1.659 17.137 ( 0.496 2.679 3.518) 4.450 17.190 ( -1.417 1.035 -1.820) 2.528 17.243 ( 2.519 0.679 0.146) 2.613 17.300 ( -1.416 -1.105 -1.056) 2.084 17.448 ( 0.538 -1.143 -0.146) 1.272 17.484 ( -1.887 -2.524 -1.708) 3.585 17.671 ( -0.022 -1.383 2.969) 3.275 17.704 ( -0.431 -2.645 -1.718) 3.183 18.016 ( 2.693 -1.089 -0.564) 2.959 18.044 ( -0.012 -1.076 0.528) 1.199 18.104 ( -1.283 0.094 1.343) 1.860 18.113 ( -0.950 -0.540 -0.879) 1.402 18.417 ( -0.057 0.320 2.675) 2.694 18.455 ( -0.327 -0.918 -3.253) 3.396 18.657 ( 1.401 -3.923 -1.720) 4.507 18.668 ( -1.297 -4.464 1.256) 4.815 20.548 ( 0.707 -0.418 0.142) 0.833 20.555 ( -0.082 -0.916 0.538) 1.065 20.660 ( -0.355 -0.538 -0.659) 0.922 20.665 ( -0.779 -0.716 -0.674) 1.254 21.564 ( 0.808 0.849 -0.914) 1.486 21.573 ( -0.476 0.878 0.494) 1.114 21.576 ( 0.419 0.454 -1.169) 1.322 21.584 ( -1.467 0.572 1.455) 2.144 27.419 ( -0.303 0.671 0.908) 1.169 27.424 ( 0.076 0.445 -0.771) 0.894 27.462 ( 0.709 -0.600 -0.153) 0.941 27.472 ( -0.463 -0.892 0.160) 1.018 27.816 ( 0.248 1.380 -0.064) 1.404 27.821 ( -0.487 1.237 0.407) 1.390 27.865 ( 0.605 0.445 -0.886) 1.161 27.872 ( -0.751 0.262 0.522) 0.951 35.365 ( 5.056 1.896 0.889) 5.472 35.464 ( -3.338 -1.676 -0.649) 3.792 35.653 ( 7.034 0.893 0.058) 7.091 35.764 ( -2.901 -3.172 0.099) 4.300 36.083 ( 1.074 3.067 0.599) 3.305 36.122 ( -0.790 1.708 -1.161) 2.211 36.551 ( 1.622 -2.554 -2.325) 3.816 36.598 ( -4.237 -4.288 1.329) 6.173 39.777 ( 1.508 -1.284 1.109) 2.270 39.811 ( -0.573 0.229 0.778) 0.993 39.827 ( 3.909 -2.991 -1.668) 5.197 39.922 ( -5.742 -4.738 1.931) 7.691 40.900 ( 5.476 9.010 -0.664) 10.564 41.036 ( -7.083 4.506 -1.833) 8.592 41.343 ( 4.500 -3.145 2.516) 6.039 41.426 ( -2.176 -5.342 -0.704) 5.811 ======================= Grid point 159 (78/80) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.397 ( -0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.626 ( -0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 -0.000) 0.000 2.917 ( -0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.307 ( -0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 -0.000) 0.000 3.421 ( -0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 -0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.610 ( -0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.926 ( -0.000 0.000 0.000) 0.000 3.926 ( -0.000 0.000 0.000) 0.000 3.973 ( 0.000 -0.000 -0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.134 ( -0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.357 ( -0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.699 ( -0.000 0.000 0.000) 0.000 4.699 ( 0.000 0.000 0.000) 0.000 4.774 ( -0.000 0.000 -0.000) 0.000 4.774 ( -0.000 0.000 0.000) 0.000 4.827 ( -0.000 0.000 -0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 5.105 ( -0.000 0.000 -0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.171 ( -0.000 -0.000 -0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.391 ( -0.000 0.000 -0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.409 ( -0.000 -0.000 -0.000) 0.000 5.409 ( 0.000 -0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 -0.000) 0.000 5.996 ( -0.000 0.000 0.000) 0.000 6.458 ( -0.000 -0.000 -0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.487 ( -0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.664 ( -0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 -0.000) 0.000 6.779 ( -0.000 0.000 0.000) 0.000 6.779 ( -0.000 0.000 0.000) 0.000 6.987 ( -0.000 0.000 -0.000) 0.000 6.987 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 -0.000) 0.000 7.067 ( -0.000 0.000 0.000) 0.000 7.106 ( -0.000 0.000 -0.000) 0.000 7.106 ( -0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.412 ( -0.000 0.000 -0.000) 0.000 7.412 ( 0.000 0.000 0.000) 0.000 7.513 ( 0.000 0.000 0.000) 0.000 7.513 ( -0.000 0.000 0.000) 0.000 7.556 ( -0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 7.599 ( -0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 -0.000) 0.000 7.799 ( -0.000 0.000 0.000) 0.000 7.880 ( -0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 8.061 ( -0.000 0.000 0.000) 0.000 8.061 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 -0.000) 0.000 8.228 ( -0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 8.654 ( -0.000 0.000 0.000) 0.000 8.780 ( -0.000 0.000 0.000) 0.000 8.780 ( 0.000 0.000 0.000) 0.000 9.127 ( -0.000 0.000 0.000) 0.000 9.127 ( 0.000 0.000 0.000) 0.000 9.594 ( 0.000 -0.000 -0.000) 0.000 9.594 ( 0.000 0.000 0.000) 0.000 9.601 ( -0.000 -0.000 0.000) 0.000 9.601 ( -0.000 0.000 -0.000) 0.000 10.609 ( 0.000 0.000 -0.000) 0.000 10.609 ( -0.000 0.000 0.000) 0.000 10.689 ( 0.000 0.000 -0.000) 0.000 10.689 ( -0.000 0.000 0.000) 0.000 11.590 ( 0.000 0.000 0.000) 0.000 11.590 ( 0.000 0.000 0.000) 0.000 12.080 ( -0.000 0.000 0.000) 0.000 12.080 ( -0.000 0.000 0.000) 0.000 13.010 ( 0.000 0.000 -0.000) 0.000 13.010 ( -0.000 0.000 0.000) 0.000 13.044 ( 0.000 0.000 -0.000) 0.000 13.044 ( -0.000 -0.000 0.000) 0.000 15.509 ( 0.000 0.000 0.000) 0.000 15.509 ( 0.000 0.000 0.000) 0.000 16.339 ( 0.000 0.000 0.000) 0.000 16.339 ( 0.000 0.000 0.000) 0.000 17.161 ( -0.000 0.000 0.000) 0.000 17.161 ( -0.000 0.000 0.000) 0.000 17.273 ( 0.000 0.000 0.000) 0.000 17.273 ( 0.000 0.000 0.000) 0.000 17.557 ( -0.000 0.000 0.000) 0.000 17.557 ( 0.000 0.000 0.000) 0.000 17.598 ( -0.000 0.000 -0.000) 0.000 17.598 ( 0.000 0.000 0.000) 0.000 17.985 ( -0.000 0.000 0.000) 0.000 17.985 ( 0.000 0.000 0.000) 0.000 18.123 ( 0.000 0.000 0.000) 0.000 18.123 ( 0.000 0.000 0.000) 0.000 18.463 ( 0.000 0.000 0.000) 0.000 18.463 ( 0.000 0.000 0.000) 0.000 18.617 ( -0.000 0.000 0.000) 0.000 18.617 ( 0.000 0.000 0.000) 0.000 20.531 ( -0.000 0.000 0.000) 0.000 20.531 ( 0.000 0.000 0.000) 0.000 20.679 ( 0.000 0.000 0.000) 0.000 20.679 ( 0.000 0.000 0.000) 0.000 21.580 ( 0.000 0.000 -0.000) 0.000 21.580 ( 0.000 0.000 0.000) 0.000 21.599 ( -0.000 0.000 0.000) 0.000 21.599 ( -0.000 0.000 0.000) 0.000 27.426 ( 0.000 0.000 -0.000) 0.000 27.426 ( 0.000 0.000 0.000) 0.000 27.461 ( -0.000 0.000 -0.000) 0.000 27.461 ( -0.000 0.000 0.000) 0.000 27.841 ( -0.000 0.000 0.000) 0.000 27.841 ( -0.000 0.000 0.000) 0.000 27.873 ( 0.000 0.000 0.000) 0.000 27.873 ( 0.000 0.000 0.000) 0.000 35.319 ( -0.000 0.000 0.000) 0.000 35.319 ( 0.000 0.000 0.000) 0.000 35.648 ( 0.000 0.000 0.000) 0.000 35.648 ( 0.000 0.000 0.000) 0.000 36.148 ( 0.000 0.000 0.000) 0.000 36.148 ( 0.000 0.000 0.000) 0.000 36.608 ( 0.000 0.000 0.000) 0.000 36.608 ( -0.000 0.000 0.000) 0.000 39.756 ( 0.000 0.000 -0.000) 0.000 39.756 ( 0.000 0.000 0.000) 0.000 39.833 ( -0.000 0.000 0.000) 0.000 39.833 ( 0.000 0.000 0.000) 0.000 41.164 ( 0.000 0.000 -0.000) 0.000 41.164 ( 0.000 0.000 0.000) 0.000 41.243 ( -0.000 -0.000 0.000) 0.000 41.243 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 163 (79/80) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -4.468 -9.392 3.646) 11.021 2.194 ( -4.468 9.392 3.646) 11.021 2.349 ( -2.366 -11.303 -2.583) 11.833 2.349 ( -2.366 11.303 -2.583) 11.833 2.538 ( 6.030 -1.478 -1.840) 6.475 2.538 ( 6.030 1.478 -1.840) 6.475 2.614 ( 0.042 -4.128 0.768) 4.199 2.614 ( 0.042 4.128 0.768) 4.199 2.906 ( -0.721 -1.418 -1.354) 2.089 2.906 ( -0.721 1.418 -1.354) 2.089 3.222 ( -0.085 -0.942 0.654) 1.150 3.222 ( -0.085 0.942 0.654) 1.150 3.284 ( -1.928 -3.365 -1.907) 4.322 3.284 ( -1.928 3.365 -1.907) 4.322 3.400 ( -0.603 -0.829 -2.037) 2.280 3.400 ( -0.603 0.829 -2.037) 2.280 3.483 ( -5.845 -2.926 3.935) 7.630 3.483 ( -5.845 2.926 3.935) 7.630 3.680 ( 2.346 -2.151 -0.226) 3.191 3.680 ( 2.346 2.151 -0.226) 3.191 3.871 ( -1.275 -3.622 -0.590) 3.885 3.871 ( -1.275 3.622 -0.590) 3.885 4.001 ( 1.880 -5.496 -0.121) 5.809 4.001 ( 1.880 5.496 -0.121) 5.809 4.168 ( 1.642 -8.618 -0.194) 8.775 4.168 ( 1.642 8.618 -0.194) 8.775 4.336 ( -1.198 -1.203 -1.491) 2.260 4.336 ( -1.198 1.203 -1.491) 2.260 4.653 ( 0.359 -2.634 -4.179) 4.952 4.653 ( 0.359 2.634 -4.179) 4.952 4.785 ( 1.168 -2.334 -1.525) 3.023 4.785 ( 1.168 2.334 -1.525) 3.023 4.834 ( 1.831 -0.492 0.586) 1.984 4.834 ( 1.831 0.492 0.586) 1.984 5.129 ( -1.060 -6.948 -0.597) 7.054 5.129 ( -1.060 6.948 -0.597) 7.054 5.209 ( -1.855 -4.643 1.793) 5.311 5.209 ( -1.855 4.643 1.793) 5.311 5.341 ( 2.314 -1.454 -0.705) 2.823 5.341 ( 2.314 1.454 -0.705) 2.823 5.467 ( 2.298 -1.581 3.002) 4.098 5.467 ( 2.298 1.581 3.002) 4.098 5.617 ( 0.308 -4.868 3.800) 6.183 5.617 ( 0.308 4.868 3.800) 6.183 5.758 ( -2.845 -2.401 4.422) 5.781 5.758 ( -2.845 2.401 4.422) 5.781 6.007 ( 1.821 -3.915 -4.178) 6.008 6.007 ( 1.821 3.915 -4.178) 6.008 6.404 ( -0.904 -5.774 -0.766) 5.895 6.404 ( -0.904 5.774 -0.766) 5.895 6.508 ( -2.358 -1.402 -0.860) 2.875 6.508 ( -2.358 1.402 -0.860) 2.875 6.672 ( 0.901 -1.811 3.415) 3.969 6.672 ( 0.901 1.811 3.415) 3.969 6.822 ( 3.987 -4.574 -4.419) 7.507 6.822 ( 3.987 4.574 -4.419) 7.507 6.900 ( -0.092 -6.092 -3.935) 7.253 6.900 ( -0.092 6.092 -3.935) 7.253 7.052 ( -1.171 -1.517 0.547) 1.993 7.052 ( -1.171 1.517 0.547) 1.993 7.171 ( 2.714 -1.836 -0.823) 3.378 7.171 ( 2.714 1.836 -0.823) 3.378 7.246 ( 0.661 -3.839 1.780) 4.283 7.246 ( 0.661 3.839 1.780) 4.283 7.428 ( -1.313 -0.987 0.687) 1.780 7.428 ( -1.313 0.987 0.687) 1.780 7.485 ( -1.492 -3.583 1.814) 4.284 7.485 ( -1.492 3.583 1.814) 4.284 7.555 ( -0.912 -0.921 0.675) 1.462 7.555 ( -0.912 0.921 0.675) 1.462 7.636 ( 4.010 -4.767 -2.483) 6.706 7.636 ( 4.010 4.767 -2.483) 6.706 7.789 ( -0.446 -1.113 0.331) 1.244 7.789 ( -0.446 1.113 0.331) 1.244 7.889 ( 1.267 -1.894 -1.047) 2.508 7.889 ( 1.267 1.894 -1.047) 2.508 8.028 ( -2.674 -3.081 -3.661) 5.481 8.028 ( -2.674 3.081 -3.661) 5.481 8.239 ( 0.049 -4.084 0.528) 4.118 8.239 ( 0.049 4.084 0.528) 4.118 8.440 ( 3.870 -1.968 0.607) 4.384 8.440 ( 3.870 1.968 0.607) 4.384 8.606 ( -2.095 -1.174 1.117) 2.648 8.606 ( -2.095 1.174 1.117) 2.648 8.771 ( -2.154 -4.122 1.371) 4.849 8.771 ( -2.154 4.122 1.371) 4.849 9.125 ( -1.552 -3.331 0.105) 3.676 9.125 ( -1.552 3.331 0.105) 3.676 9.508 ( -1.759 -3.271 -1.615) 4.050 9.508 ( -1.759 3.271 -1.615) 4.050 9.677 ( 1.262 -7.748 1.605) 8.012 9.677 ( 1.262 7.748 1.605) 8.012 10.617 ( 0.748 -1.173 0.168) 1.402 10.617 ( 0.748 1.173 0.168) 1.402 10.682 ( -0.774 -1.000 0.145) 1.273 10.682 ( -0.774 1.000 0.145) 1.273 11.584 ( -0.388 -1.857 -0.086) 1.899 11.584 ( -0.388 1.857 -0.086) 1.899 12.085 ( -0.627 -0.824 1.798) 2.075 12.085 ( -0.627 0.824 1.798) 2.075 13.009 ( -1.984 -6.317 4.130) 7.804 13.009 ( -1.984 6.317 4.130) 7.804 13.049 ( 1.882 -6.863 -3.354) 7.867 13.049 ( 1.882 6.863 -3.354) 7.867 15.504 ( -0.250 -1.515 -0.287) 1.562 15.504 ( -0.250 1.515 -0.287) 1.562 16.360 ( 1.314 -0.209 1.080) 1.714 16.360 ( 1.314 0.209 1.080) 1.714 17.164 ( -0.909 -1.699 2.634) 3.263 17.164 ( -0.909 1.699 2.634) 3.263 17.280 ( 1.414 -1.398 -1.984) 2.809 17.280 ( 1.414 1.398 -1.984) 2.809 17.495 ( -2.725 -1.717 -2.093) 3.841 17.495 ( -2.725 1.717 -2.093) 3.841 17.641 ( 1.167 -1.373 1.744) 2.508 17.641 ( 1.167 1.373 1.744) 2.508 17.994 ( 0.935 -1.368 -0.109) 1.660 17.994 ( 0.935 1.368 -0.109) 1.660 18.119 ( -0.623 -0.288 0.450) 0.821 18.119 ( -0.623 0.288 0.450) 0.821 18.456 ( -0.347 -1.696 -0.712) 1.872 18.456 ( -0.347 1.696 -0.712) 1.872 18.615 ( 0.023 -0.632 -0.293) 0.697 18.615 ( 0.023 0.632 -0.293) 0.697 20.535 ( 0.296 -0.201 0.260) 0.443 20.535 ( 0.296 0.201 0.260) 0.443 20.671 ( -0.472 -0.235 -0.611) 0.807 20.671 ( -0.472 0.235 -0.611) 0.807 21.577 ( 0.363 -0.343 -1.052) 1.165 21.577 ( 0.363 0.343 -1.052) 1.165 21.596 ( -0.857 -0.362 0.930) 1.316 21.596 ( -0.857 0.362 0.930) 1.316 27.427 ( 0.103 -0.244 0.007) 0.265 27.427 ( 0.103 0.244 0.007) 0.265 27.460 ( -0.182 -0.561 0.094) 0.597 27.460 ( -0.182 0.561 0.094) 0.597 27.838 ( -0.341 -0.353 0.181) 0.523 27.838 ( -0.341 0.353 0.181) 0.523 27.872 ( 0.034 -0.419 -0.198) 0.465 27.872 ( 0.034 0.419 -0.198) 0.465 35.351 ( 2.970 -3.620 0.316) 4.693 35.351 ( 2.970 3.620 0.316) 4.693 35.675 ( 2.101 -3.767 0.012) 4.313 35.675 ( 2.101 3.767 0.012) 4.313 36.131 ( -0.614 -1.059 -0.893) 1.515 36.131 ( -0.614 1.059 -0.893) 1.515 36.586 ( -2.037 -1.777 -0.368) 2.728 36.586 ( -2.037 1.777 -0.368) 2.728 39.755 ( 1.008 -1.602 -1.221) 2.252 39.755 ( 1.008 1.602 -1.221) 2.252 39.847 ( -0.958 -3.692 3.272) 5.026 39.847 ( -0.958 3.692 3.272) 5.026 41.104 ( -1.160 -9.476 -5.225) 10.883 41.104 ( -1.160 9.476 -5.225) 10.883 41.293 ( 0.798 -7.318 4.172) 8.462 41.293 ( 0.798 7.318 4.172) 8.462 ======================= Grid point 165 (80/80) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -3.193 -5.068 1.394) 6.150 2.139 ( -3.193 5.068 1.394) 6.150 2.298 ( -0.385 -6.014 -1.365) 6.179 2.298 ( -0.385 6.014 -1.365) 6.179 2.563 ( 1.258 -3.080 -2.745) 4.313 2.563 ( 1.258 3.080 -2.745) 4.313 2.721 ( 3.983 -4.124 7.142) 9.159 2.721 ( 3.983 4.124 7.142) 9.159 2.848 ( -1.833 -3.320 -5.769) 6.903 2.848 ( -1.833 3.320 -5.769) 6.903 3.179 ( -3.542 -0.431 0.240) 3.576 3.179 ( -3.542 0.431 0.240) 3.576 3.269 ( 1.868 -1.703 -0.848) 2.666 3.269 ( 1.868 1.703 -0.848) 2.666 3.355 ( -2.260 -1.147 -1.214) 2.810 3.355 ( -2.260 1.147 -1.214) 2.810 3.471 ( 0.538 -2.941 3.544) 4.637 3.471 ( 0.538 2.941 3.544) 4.637 3.642 ( -3.143 -1.296 -1.549) 3.736 3.642 ( -3.143 1.296 -1.549) 3.736 3.918 ( 3.657 -6.190 0.539) 7.210 3.918 ( 3.657 6.190 0.539) 7.210 4.016 ( -0.505 -2.335 -0.613) 2.466 4.016 ( -0.505 2.335 -0.613) 2.466 4.174 ( -0.021 -3.752 0.285) 3.763 4.174 ( -0.021 3.752 0.285) 3.763 4.299 ( -0.910 -1.837 -1.112) 2.332 4.299 ( -0.910 1.837 -1.112) 2.332 4.680 ( 5.020 -1.960 -2.051) 5.766 4.680 ( 5.020 1.960 -2.051) 5.766 4.771 ( -3.623 -1.802 1.670) 4.377 4.771 ( -3.623 1.802 1.670) 4.377 4.896 ( 5.031 -1.792 -2.505) 5.899 4.896 ( 5.031 1.792 -2.505) 5.899 5.081 ( -1.148 -4.218 -0.573) 4.409 5.081 ( -1.149 4.218 -0.573) 4.409 5.121 ( -5.848 -3.075 -0.332) 6.616 5.121 ( -5.848 3.075 -0.332) 6.616 5.379 ( 0.904 -1.500 -0.003) 1.751 5.379 ( 0.904 1.500 -0.003) 1.751 5.539 ( 0.990 -1.503 2.297) 2.918 5.539 ( 0.990 1.503 2.297) 2.918 5.628 ( -0.703 -1.526 2.181) 2.753 5.628 ( -0.703 1.526 2.181) 2.753 5.840 ( 3.138 -3.167 6.005) 7.479 5.840 ( 3.138 3.167 6.005) 7.479 5.953 ( -2.040 -3.144 -5.328) 6.514 5.953 ( -2.040 3.144 -5.328) 6.514 6.390 ( -1.240 -2.429 0.331) 2.747 6.390 ( -1.240 2.429 0.331) 2.747 6.488 ( 2.031 -1.368 -0.991) 2.642 6.488 ( 2.031 1.368 -0.991) 2.642 6.708 ( 0.345 -3.654 2.521) 4.452 6.708 ( 0.345 3.654 2.521) 4.452 6.804 ( 0.224 -0.320 -4.346) 4.364 6.804 ( 0.224 0.320 -4.346) 4.364 6.979 ( 7.395 -2.543 -1.988) 8.069 6.979 ( 7.395 2.543 -1.988) 8.069 7.032 ( -2.866 -2.761 4.431) 5.955 7.032 ( -2.866 2.761 4.431) 5.955 7.143 ( -2.429 -1.923 -3.498) 4.673 7.143 ( -2.429 1.923 -3.498) 4.673 7.311 ( 4.674 -5.830 -1.602) 7.643 7.311 ( 4.674 5.831 -1.602) 7.643 7.384 ( -6.165 -2.450 4.767) 8.169 7.384 ( -6.165 2.450 4.767) 8.169 7.475 ( 3.106 -1.196 -3.049) 4.514 7.475 ( 3.106 1.196 -3.049) 4.514 7.567 ( -1.339 -1.526 2.708) 3.385 7.567 ( -1.339 1.526 2.708) 3.385 7.661 ( 0.942 -4.249 -1.352) 4.558 7.661 ( 0.942 4.250 -1.352) 4.558 7.765 ( -1.802 -3.318 -1.144) 3.946 7.765 ( -1.802 3.318 -1.144) 3.946 7.899 ( -2.493 -1.299 -1.059) 3.003 7.899 ( -2.493 1.299 -1.059) 3.003 7.944 ( 1.622 -1.637 -0.819) 2.445 7.944 ( 1.622 1.637 -0.819) 2.445 8.222 ( -0.942 -2.043 -0.559) 2.318 8.222 ( -0.942 2.043 -0.559) 2.318 8.490 ( -0.344 -1.260 0.171) 1.317 8.490 ( -0.344 1.260 0.171) 1.317 8.663 ( 5.534 -2.037 0.444) 5.914 8.663 ( 5.534 2.037 0.444) 5.914 8.761 ( -1.233 -3.973 3.651) 5.535 8.761 ( -1.233 3.973 3.651) 5.535 9.046 ( -4.058 -2.724 -2.219) 5.367 9.046 ( -4.058 2.724 -2.219) 5.367 9.513 ( 1.493 -2.822 0.766) 3.283 9.513 ( 1.493 2.822 0.766) 3.283 9.677 ( -1.162 -5.162 -0.179) 5.295 9.677 ( -1.162 5.162 -0.179) 5.295 10.637 ( 1.133 -1.391 0.037) 1.795 10.637 ( 1.133 1.391 0.037) 1.795 10.665 ( -1.165 -1.586 0.172) 1.975 10.665 ( -1.165 1.586 0.172) 1.975 11.579 ( -0.142 -1.169 0.023) 1.178 11.579 ( -0.142 1.169 0.023) 1.178 12.086 ( -0.615 -0.557 0.964) 1.272 12.086 ( -0.615 0.557 0.964) 1.272 13.021 ( -1.044 -7.922 4.022) 8.946 13.021 ( -1.044 7.922 4.022) 8.946 13.042 ( 0.989 -8.242 -3.555) 9.031 13.042 ( 0.989 8.242 -3.555) 9.031 15.499 ( -0.059 -0.945 -0.123) 0.955 15.499 ( -0.059 0.945 -0.123) 0.955 16.393 ( 0.827 -0.121 0.672) 1.073 16.393 ( 0.827 0.121 0.672) 1.073 17.182 ( -0.201 -1.564 2.656) 3.089 17.182 ( -0.201 1.564 2.656) 3.089 17.273 ( 0.265 -1.671 -2.389) 2.928 17.273 ( 0.265 1.671 -2.389) 2.928 17.443 ( -0.891 -1.021 -0.777) 1.562 17.443 ( -0.891 1.021 -0.777) 1.562 17.663 ( 0.031 -0.900 0.655) 1.113 17.663 ( 0.031 0.900 0.655) 1.113 18.013 ( 0.888 -1.001 -0.084) 1.341 18.013 ( 0.888 1.001 -0.084) 1.341 18.110 ( -0.561 -0.191 0.348) 0.687 18.110 ( -0.561 0.191 0.348) 0.687 18.441 ( -0.329 -1.164 -0.540) 1.325 18.441 ( -0.329 1.164 -0.540) 1.325 18.614 ( 0.089 -0.286 -0.118) 0.322 18.614 ( 0.089 0.286 -0.118) 0.322 20.544 ( 0.245 -0.155 0.233) 0.372 20.544 ( 0.245 0.155 0.233) 0.372 20.655 ( -0.357 -0.171 -0.454) 0.602 20.655 ( -0.357 0.171 -0.454) 0.602 21.577 ( 0.778 -0.324 -1.114) 1.397 21.577 ( 0.778 0.324 -1.114) 1.397 21.586 ( -1.087 -0.298 1.033) 1.529 21.586 ( -1.087 0.298 1.033) 1.529 27.429 ( 0.079 -0.172 0.003) 0.190 27.429 ( 0.079 0.172 0.003) 0.190 27.457 ( -0.119 -0.366 0.067) 0.391 27.457 ( -0.119 0.366 0.067) 0.391 27.834 ( -0.184 -0.186 0.101) 0.280 27.834 ( -0.184 0.186 0.101) 0.280 27.871 ( -0.007 -0.233 -0.118) 0.261 27.871 ( -0.007 0.233 -0.118) 0.261 35.414 ( 2.389 -2.750 0.223) 3.650 35.414 ( 2.389 2.750 0.223) 3.650 35.698 ( 0.164 -3.078 -0.037) 3.083 35.698 ( 0.164 3.078 -0.037) 3.083 36.130 ( 0.928 -1.131 -0.338) 1.502 36.130 ( 0.928 1.131 -0.338) 1.502 36.536 ( -1.992 -1.324 -0.421) 2.429 36.536 ( -1.992 1.324 -0.421) 2.429 39.776 ( 1.748 -1.142 -0.722) 2.209 39.776 ( 1.748 1.142 -0.722) 2.209 39.846 ( -1.784 -2.610 1.988) 3.735 39.846 ( -1.784 2.610 1.988) 3.735 41.049 ( -0.351 -4.229 -2.259) 4.807 41.049 ( -0.351 4.229 -2.259) 4.807 41.332 ( 0.197 -2.868 1.617) 3.298 41.332 ( 0.197 2.868 1.617) 3.298 =================== 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 3/37440 10.0 921.131 918.653 1576.552 0.000 87.203 0.000 3/37440 20.0 152.227 197.415 189.837 0.000 8.994 0.000 3/37440 30.0 43.189 68.122 57.781 0.000 0.891 0.000 3/37440 40.0 18.939 32.270 26.342 0.000 -0.054 0.000 3/37440 50.0 10.653 18.852 15.080 0.000 -0.189 0.000 3/37440 60.0 6.962 12.589 9.939 0.000 -0.194 0.000 3/37440 70.0 5.020 9.194 7.195 0.000 -0.176 0.000 3/37440 80.0 3.874 7.147 5.562 0.000 -0.158 0.000 3/37440 90.0 3.138 5.813 4.508 0.000 -0.142 0.000 3/37440 100.0 2.634 4.888 3.785 0.000 -0.129 0.000 3/37440 110.0 2.271 4.216 3.263 0.000 -0.119 0.000 3/37440 120.0 1.999 3.708 2.871 0.000 -0.111 0.000 3/37440 130.0 1.787 3.312 2.567 0.000 -0.104 0.000 3/37440 140.0 1.618 2.996 2.324 0.000 -0.098 0.000 3/37440 150.0 1.480 2.737 2.126 0.000 -0.093 0.000 3/37440 160.0 1.365 2.521 1.962 0.000 -0.089 0.000 3/37440 170.0 1.268 2.338 1.823 0.000 -0.086 0.000 3/37440 180.0 1.184 2.182 1.703 0.000 -0.082 0.000 3/37440 190.0 1.112 2.046 1.600 0.000 -0.079 0.000 3/37440 200.0 1.048 1.927 1.509 0.000 -0.076 0.000 3/37440 210.0 0.992 1.822 1.428 0.000 -0.074 0.000 3/37440 220.0 0.942 1.728 1.357 0.000 -0.071 0.000 3/37440 230.0 0.897 1.644 1.292 0.000 -0.069 0.000 3/37440 240.0 0.856 1.569 1.234 0.000 -0.067 0.000 3/37440 250.0 0.819 1.500 1.181 0.000 -0.065 0.000 3/37440 260.0 0.786 1.437 1.133 0.000 -0.063 0.000 3/37440 270.0 0.755 1.380 1.089 0.000 -0.062 0.000 3/37440 280.0 0.726 1.327 1.048 0.000 -0.060 0.000 3/37440 290.0 0.700 1.278 1.010 0.000 -0.059 0.000 3/37440 300.0 0.676 1.233 0.975 0.000 -0.057 0.000 3/37440 310.0 0.653 1.191 0.943 0.000 -0.056 0.000 3/37440 320.0 0.632 1.152 0.912 0.000 -0.054 0.000 3/37440 330.0 0.612 1.116 0.884 0.000 -0.053 0.000 3/37440 340.0 0.594 1.082 0.858 0.000 -0.052 0.000 3/37440 350.0 0.576 1.050 0.833 0.000 -0.051 0.000 3/37440 360.0 0.560 1.020 0.809 0.000 -0.050 0.000 3/37440 370.0 0.545 0.991 0.787 0.000 -0.049 0.000 3/37440 380.0 0.530 0.964 0.766 0.000 -0.048 0.000 3/37440 390.0 0.516 0.939 0.746 0.000 -0.047 0.000 3/37440 400.0 0.503 0.915 0.727 0.000 -0.046 0.000 3/37440 410.0 0.491 0.893 0.710 0.000 -0.045 0.000 3/37440 420.0 0.479 0.871 0.693 0.000 -0.044 0.000 3/37440 430.0 0.468 0.850 0.677 0.000 -0.043 0.000 3/37440 440.0 0.457 0.831 0.661 0.000 -0.042 0.000 3/37440 450.0 0.447 0.812 0.647 0.000 -0.041 0.000 3/37440 460.0 0.438 0.794 0.633 0.000 -0.041 0.000 3/37440 470.0 0.428 0.777 0.619 0.000 -0.040 0.000 3/37440 480.0 0.419 0.761 0.606 0.000 -0.039 0.000 3/37440 490.0 0.411 0.746 0.594 0.000 -0.039 0.000 3/37440 500.0 0.403 0.731 0.582 0.000 -0.038 0.000 3/37440 510.0 0.395 0.716 0.571 0.000 -0.037 0.000 3/37440 520.0 0.388 0.703 0.560 0.000 -0.037 0.000 3/37440 530.0 0.380 0.689 0.550 0.000 -0.036 0.000 3/37440 540.0 0.373 0.677 0.540 0.000 -0.036 0.000 3/37440 550.0 0.367 0.664 0.530 0.000 -0.035 0.000 3/37440 560.0 0.360 0.653 0.521 0.000 -0.035 0.000 3/37440 570.0 0.354 0.641 0.512 0.000 -0.034 0.000 3/37440 580.0 0.348 0.630 0.503 0.000 -0.034 0.000 3/37440 590.0 0.342 0.620 0.494 0.000 -0.033 0.000 3/37440 600.0 0.337 0.609 0.486 0.000 -0.033 0.000 3/37440 610.0 0.331 0.599 0.479 0.000 -0.032 0.000 3/37440 620.0 0.326 0.590 0.471 0.000 -0.032 0.000 3/37440 630.0 0.321 0.581 0.464 0.000 -0.031 0.000 3/37440 640.0 0.316 0.572 0.456 0.000 -0.031 0.000 3/37440 650.0 0.311 0.563 0.450 0.000 -0.030 0.000 3/37440 660.0 0.307 0.555 0.443 0.000 -0.030 0.000 3/37440 670.0 0.302 0.546 0.436 0.000 -0.030 0.000 3/37440 680.0 0.298 0.538 0.430 0.000 -0.029 0.000 3/37440 690.0 0.294 0.531 0.424 0.000 -0.029 0.000 3/37440 700.0 0.289 0.523 0.418 0.000 -0.029 0.000 3/37440 710.0 0.286 0.516 0.412 0.000 -0.028 0.000 3/37440 720.0 0.282 0.509 0.407 0.000 -0.028 0.000 3/37440 730.0 0.278 0.502 0.401 0.000 -0.028 0.000 3/37440 740.0 0.274 0.495 0.396 0.000 -0.027 0.000 3/37440 750.0 0.271 0.489 0.391 0.000 -0.027 0.000 3/37440 760.0 0.267 0.483 0.386 0.000 -0.027 0.000 3/37440 770.0 0.264 0.476 0.381 0.000 -0.026 0.000 3/37440 780.0 0.261 0.470 0.376 0.000 -0.026 0.000 3/37440 790.0 0.257 0.464 0.371 0.000 -0.026 0.000 3/37440 800.0 0.254 0.459 0.367 0.000 -0.025 0.000 3/37440 810.0 0.251 0.453 0.362 0.000 -0.025 0.000 3/37440 820.0 0.248 0.448 0.358 0.000 -0.025 0.000 3/37440 830.0 0.245 0.442 0.354 0.000 -0.025 0.000 3/37440 840.0 0.242 0.437 0.350 0.000 -0.024 0.000 3/37440 850.0 0.240 0.432 0.346 0.000 -0.024 0.000 3/37440 860.0 0.237 0.427 0.342 0.000 -0.024 0.000 3/37440 870.0 0.234 0.422 0.338 0.000 -0.024 0.000 3/37440 880.0 0.232 0.418 0.334 0.000 -0.023 0.000 3/37440 890.0 0.229 0.413 0.331 0.000 -0.023 0.000 3/37440 900.0 0.227 0.409 0.327 0.000 -0.023 0.000 3/37440 910.0 0.224 0.404 0.323 0.000 -0.023 0.000 3/37440 920.0 0.222 0.400 0.320 0.000 -0.023 0.000 3/37440 930.0 0.220 0.396 0.317 0.000 -0.022 0.000 3/37440 940.0 0.217 0.392 0.313 0.000 -0.022 0.000 3/37440 950.0 0.215 0.388 0.310 0.000 -0.022 0.000 3/37440 960.0 0.213 0.384 0.307 0.000 -0.022 0.000 3/37440 970.0 0.211 0.380 0.304 0.000 -0.021 0.000 3/37440 980.0 0.209 0.376 0.301 0.000 -0.021 0.000 3/37440 990.0 0.207 0.372 0.298 0.000 -0.021 0.000 3/37440 1000.0 0.205 0.369 0.295 0.000 -0.021 0.000 3/37440 Thermal conductivity related properties were written into "kappa-m586.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:35:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|