----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:13:19]------------------------- Compiled with OpenMP support (max 128 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: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.501870140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.429394860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.342954750000002 Atomic positions (fractional): *1 O 0.30220839967867 0.63819071950793 0.17511519441729 15.999 2 O 0.80220839967867 0.86180928049207 0.82488480558271 15.999 3 O 0.69779160032133 0.13819071950793 0.32488480558271 15.999 4 O 0.19779160032133 0.36180928049207 0.67511519441729 15.999 *5 O 0.71928015696865 0.61155832686645 0.56332120311465 15.999 6 O 0.21928015696865 0.88844167313355 0.43667879688535 15.999 7 O 0.28071984303135 0.11155832686645 0.93667879688535 15.999 8 O 0.78071984303135 0.38844167313355 0.06332120311465 15.999 *9 O 0.67693629261888 0.13588510861396 0.74513234943975 15.999 10 O 0.17693629261888 0.36411489138603 0.25486765056025 15.999 11 O 0.32306370738112 0.63588510861396 0.75486765056025 15.999 12 O 0.82306370738112 0.86411489138604 0.24513234943975 15.999 *13 O 0.66933793687639 0.44618414073174 0.78183704425647 15.999 14 O 0.16933793687640 0.05381585926826 0.21816295574354 15.999 15 O 0.33066206312361 0.94618414073174 0.71816295574353 15.999 16 O 0.83066206312361 0.55381585926826 0.28183704425646 15.999 *17 O 0.25175336063018 0.58642618578593 0.50877723094488 15.999 18 O 0.75175336063018 0.91357381421407 0.49122276905512 15.999 19 O 0.74824663936982 0.08642618578593 0.99122276905512 15.999 20 O 0.24824663936982 0.41357381421407 0.00877723094488 15.999 *21 O 0.06743129546941 0.14798735253779 0.48034011731690 15.999 22 O 0.56743129546941 0.35201264746221 0.51965988268310 15.999 23 O 0.93256870453059 0.64798735253779 0.01965988268310 15.999 24 O 0.43256870453059 0.85201264746221 0.98034011731690 15.999 *25 Te 0.45914823726804 0.49590609086306 0.64069881928170 127.600 26 Te 0.95914823726804 0.00409390913694 0.35930118071830 127.600 27 Te 0.54085176273196 0.99590609086306 0.85930118071830 127.600 28 Te 0.04085176273196 0.50409390913694 0.14069881928170 127.600 *29 La 0.52669433956872 0.60427564976473 0.95692810039986 138.905 30 La 0.02669433956872 0.89572435023527 0.04307189960014 138.905 31 La 0.47330566043128 0.10427564976473 0.54307189960014 138.905 32 La 0.97330566043128 0.39572435023528 0.45692810039986 138.905 *33 La 0.52967857871893 0.71793610919862 0.35974632462704 138.905 34 La 0.02967857871893 0.78206389080138 0.64025367537296 138.905 35 La 0.47032142128107 0.21793610919862 0.14025367537296 138.905 36 La 0.97032142128107 0.28206389080138 0.85974632462704 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.501870140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.429394860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.342954750000002 Atomic positions (fractional): *1 O 0.30220839967867 0.63819071950793 0.17511519441729 15.999 > 1 2 O 0.80220839967867 0.86180928049207 0.82488480558271 15.999 > 2 3 O 0.69779160032133 0.13819071950793 0.32488480558271 15.999 > 3 4 O 0.19779160032133 0.36180928049207 0.67511519441729 15.999 > 4 *5 O 0.71928015696865 0.61155832686645 0.56332120311465 15.999 > 5 6 O 0.21928015696865 0.88844167313355 0.43667879688535 15.999 > 6 7 O 0.28071984303135 0.11155832686645 0.93667879688535 15.999 > 7 8 O 0.78071984303135 0.38844167313355 0.06332120311465 15.999 > 8 *9 O 0.67693629261888 0.13588510861396 0.74513234943975 15.999 > 9 10 O 0.17693629261888 0.36411489138603 0.25486765056025 15.999 > 10 11 O 0.32306370738112 0.63588510861396 0.75486765056025 15.999 > 11 12 O 0.82306370738112 0.86411489138604 0.24513234943975 15.999 > 12 *13 O 0.66933793687639 0.44618414073174 0.78183704425647 15.999 > 13 14 O 0.16933793687640 0.05381585926826 0.21816295574354 15.999 > 14 15 O 0.33066206312361 0.94618414073174 0.71816295574353 15.999 > 15 16 O 0.83066206312361 0.55381585926826 0.28183704425646 15.999 > 16 *17 O 0.25175336063018 0.58642618578593 0.50877723094488 15.999 > 17 18 O 0.75175336063018 0.91357381421407 0.49122276905512 15.999 > 18 19 O 0.74824663936982 0.08642618578593 0.99122276905512 15.999 > 19 20 O 0.24824663936982 0.41357381421407 0.00877723094488 15.999 > 20 *21 O 0.06743129546941 0.14798735253779 0.48034011731690 15.999 > 21 22 O 0.56743129546941 0.35201264746221 0.51965988268310 15.999 > 22 23 O 0.93256870453059 0.64798735253779 0.01965988268310 15.999 > 23 24 O 0.43256870453059 0.85201264746221 0.98034011731690 15.999 > 24 *25 Te 0.45914823726804 0.49590609086306 0.64069881928170 127.600 > 25 26 Te 0.95914823726804 0.00409390913694 0.35930118071830 127.600 > 26 27 Te 0.54085176273196 0.99590609086306 0.85930118071830 127.600 > 27 28 Te 0.04085176273196 0.50409390913694 0.14069881928170 127.600 > 28 *29 La 0.52669433956872 0.60427564976473 0.95692810039986 138.905 > 29 30 La 0.02669433956872 0.89572435023527 0.04307189960014 138.905 > 30 31 La 0.47330566043128 0.10427564976473 0.54307189960014 138.905 > 31 32 La 0.97330566043128 0.39572435023528 0.45692810039986 138.905 > 32 *33 La 0.52967857871893 0.71793610919862 0.35974632462704 138.905 > 33 34 La 0.02967857871893 0.78206389080138 0.64025367537296 138.905 > 34 35 La 0.47032142128107 0.21793610919862 0.14025367537296 138.905 > 35 36 La 0.97032142128107 0.28206389080138 0.85974632462704 138.905 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.003740280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.858789720000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.342954750000002 Atomic positions (fractional): *1 O 0.15110419983934 0.31909535975396 0.17511519441729 15.999 > 1 2 O 0.65110419983934 0.31909535975396 0.17511519441729 15.999 > 1 3 O 0.15110419983934 0.81909535975396 0.17511519441729 15.999 > 1 4 O 0.65110419983934 0.81909535975396 0.17511519441729 15.999 > 1 5 O 0.40110419983934 0.43090464024604 0.82488480558271 15.999 > 2 6 O 0.90110419983934 0.43090464024604 0.82488480558271 15.999 > 2 7 O 0.40110419983934 0.93090464024604 0.82488480558271 15.999 > 2 8 O 0.90110419983934 0.93090464024604 0.82488480558271 15.999 > 2 9 O 0.34889580016066 0.06909535975396 0.32488480558271 15.999 > 3 10 O 0.84889580016066 0.06909535975396 0.32488480558271 15.999 > 3 11 O 0.34889580016066 0.56909535975396 0.32488480558271 15.999 > 3 12 O 0.84889580016066 0.56909535975396 0.32488480558271 15.999 > 3 13 O 0.09889580016066 0.18090464024604 0.67511519441729 15.999 > 4 14 O 0.59889580016066 0.18090464024604 0.67511519441729 15.999 > 4 15 O 0.09889580016066 0.68090464024604 0.67511519441729 15.999 > 4 16 O 0.59889580016066 0.68090464024604 0.67511519441729 15.999 > 4 *17 O 0.35964007848432 0.30577916343323 0.56332120311465 15.999 > 5 18 O 0.85964007848432 0.30577916343323 0.56332120311465 15.999 > 5 19 O 0.35964007848432 0.80577916343323 0.56332120311465 15.999 > 5 20 O 0.85964007848432 0.80577916343323 0.56332120311465 15.999 > 5 21 O 0.10964007848432 0.44422083656677 0.43667879688535 15.999 > 6 22 O 0.60964007848432 0.44422083656677 0.43667879688535 15.999 > 6 23 O 0.10964007848432 0.94422083656677 0.43667879688535 15.999 > 6 24 O 0.60964007848432 0.94422083656677 0.43667879688535 15.999 > 6 25 O 0.14035992151568 0.05577916343323 0.93667879688535 15.999 > 7 26 O 0.64035992151568 0.05577916343323 0.93667879688535 15.999 > 7 27 O 0.14035992151568 0.55577916343323 0.93667879688535 15.999 > 7 28 O 0.64035992151568 0.55577916343323 0.93667879688535 15.999 > 7 29 O 0.39035992151568 0.19422083656677 0.06332120311465 15.999 > 8 30 O 0.89035992151568 0.19422083656677 0.06332120311465 15.999 > 8 31 O 0.39035992151568 0.69422083656677 0.06332120311465 15.999 > 8 32 O 0.89035992151568 0.69422083656677 0.06332120311465 15.999 > 8 *33 O 0.33846814630944 0.06794255430698 0.74513234943975 15.999 > 9 34 O 0.83846814630944 0.06794255430698 0.74513234943975 15.999 > 9 35 O 0.33846814630944 0.56794255430698 0.74513234943975 15.999 > 9 36 O 0.83846814630944 0.56794255430698 0.74513234943975 15.999 > 9 37 O 0.08846814630944 0.18205744569302 0.25486765056025 15.999 > 10 38 O 0.58846814630944 0.18205744569302 0.25486765056025 15.999 > 10 39 O 0.08846814630944 0.68205744569302 0.25486765056025 15.999 > 10 40 O 0.58846814630944 0.68205744569302 0.25486765056025 15.999 > 10 41 O 0.16153185369056 0.31794255430698 0.75486765056025 15.999 > 11 42 O 0.66153185369056 0.31794255430698 0.75486765056025 15.999 > 11 43 O 0.16153185369056 0.81794255430698 0.75486765056025 15.999 > 11 44 O 0.66153185369056 0.81794255430698 0.75486765056025 15.999 > 11 45 O 0.41153185369056 0.43205744569302 0.24513234943975 15.999 > 12 46 O 0.91153185369056 0.43205744569302 0.24513234943975 15.999 > 12 47 O 0.41153185369056 0.93205744569302 0.24513234943975 15.999 > 12 48 O 0.91153185369056 0.93205744569302 0.24513234943975 15.999 > 12 *49 O 0.33466896843820 0.22309207036587 0.78183704425647 15.999 > 13 50 O 0.83466896843820 0.22309207036587 0.78183704425647 15.999 > 13 51 O 0.33466896843820 0.72309207036587 0.78183704425647 15.999 > 13 52 O 0.83466896843820 0.72309207036587 0.78183704425647 15.999 > 13 53 O 0.08466896843820 0.02690792963413 0.21816295574354 15.999 > 14 54 O 0.58466896843820 0.02690792963413 0.21816295574354 15.999 > 14 55 O 0.08466896843820 0.52690792963413 0.21816295574354 15.999 > 14 56 O 0.58466896843820 0.52690792963413 0.21816295574354 15.999 > 14 57 O 0.16533103156180 0.47309207036587 0.71816295574353 15.999 > 15 58 O 0.66533103156180 0.47309207036587 0.71816295574353 15.999 > 15 59 O 0.16533103156180 0.97309207036587 0.71816295574353 15.999 > 15 60 O 0.66533103156180 0.97309207036587 0.71816295574353 15.999 > 15 61 O 0.41533103156180 0.27690792963413 0.28183704425646 15.999 > 16 62 O 0.91533103156180 0.27690792963413 0.28183704425646 15.999 > 16 63 O 0.41533103156180 0.77690792963413 0.28183704425646 15.999 > 16 64 O 0.91533103156180 0.77690792963413 0.28183704425646 15.999 > 16 *65 O 0.12587668031509 0.29321309289297 0.50877723094488 15.999 > 17 66 O 0.62587668031509 0.29321309289297 0.50877723094488 15.999 > 17 67 O 0.12587668031509 0.79321309289297 0.50877723094488 15.999 > 17 68 O 0.62587668031509 0.79321309289297 0.50877723094488 15.999 > 17 69 O 0.37587668031509 0.45678690710703 0.49122276905512 15.999 > 18 70 O 0.87587668031509 0.45678690710703 0.49122276905512 15.999 > 18 71 O 0.37587668031509 0.95678690710703 0.49122276905512 15.999 > 18 72 O 0.87587668031509 0.95678690710703 0.49122276905512 15.999 > 18 73 O 0.37412331968491 0.04321309289297 0.99122276905512 15.999 > 19 74 O 0.87412331968491 0.04321309289297 0.99122276905512 15.999 > 19 75 O 0.37412331968491 0.54321309289297 0.99122276905512 15.999 > 19 76 O 0.87412331968491 0.54321309289297 0.99122276905512 15.999 > 19 77 O 0.12412331968491 0.20678690710703 0.00877723094488 15.999 > 20 78 O 0.62412331968491 0.20678690710703 0.00877723094488 15.999 > 20 79 O 0.12412331968491 0.70678690710703 0.00877723094488 15.999 > 20 80 O 0.62412331968491 0.70678690710703 0.00877723094488 15.999 > 20 *81 O 0.03371564773470 0.07399367626890 0.48034011731690 15.999 > 21 82 O 0.53371564773471 0.07399367626890 0.48034011731690 15.999 > 21 83 O 0.03371564773470 0.57399367626890 0.48034011731690 15.999 > 21 84 O 0.53371564773471 0.57399367626890 0.48034011731690 15.999 > 21 85 O 0.28371564773471 0.17600632373110 0.51965988268310 15.999 > 22 86 O 0.78371564773471 0.17600632373110 0.51965988268310 15.999 > 22 87 O 0.28371564773471 0.67600632373110 0.51965988268310 15.999 > 22 88 O 0.78371564773471 0.67600632373110 0.51965988268310 15.999 > 22 89 O 0.46628435226529 0.32399367626890 0.01965988268310 15.999 > 23 90 O 0.96628435226529 0.32399367626890 0.01965988268310 15.999 > 23 91 O 0.46628435226529 0.82399367626890 0.01965988268310 15.999 > 23 92 O 0.96628435226529 0.82399367626890 0.01965988268310 15.999 > 23 93 O 0.21628435226529 0.42600632373110 0.98034011731690 15.999 > 24 94 O 0.71628435226529 0.42600632373110 0.98034011731690 15.999 > 24 95 O 0.21628435226529 0.92600632373110 0.98034011731690 15.999 > 24 96 O 0.71628435226529 0.92600632373110 0.98034011731690 15.999 > 24 *97 Te 0.22957411863402 0.24795304543153 0.64069881928170 127.600 > 25 98 Te 0.72957411863402 0.24795304543153 0.64069881928170 127.600 > 25 99 Te 0.22957411863402 0.74795304543153 0.64069881928170 127.600 > 25 100 Te 0.72957411863402 0.74795304543153 0.64069881928170 127.600 > 25 101 Te 0.47957411863402 0.00204695456847 0.35930118071830 127.600 > 26 102 Te 0.97957411863402 0.00204695456847 0.35930118071830 127.600 > 26 103 Te 0.47957411863402 0.50204695456847 0.35930118071830 127.600 > 26 104 Te 0.97957411863402 0.50204695456847 0.35930118071830 127.600 > 26 105 Te 0.27042588136598 0.49795304543153 0.85930118071830 127.600 > 27 106 Te 0.77042588136598 0.49795304543153 0.85930118071830 127.600 > 27 107 Te 0.27042588136598 0.99795304543153 0.85930118071830 127.600 > 27 108 Te 0.77042588136598 0.99795304543153 0.85930118071830 127.600 > 27 109 Te 0.02042588136598 0.25204695456847 0.14069881928170 127.600 > 28 110 Te 0.52042588136598 0.25204695456847 0.14069881928170 127.600 > 28 111 Te 0.02042588136598 0.75204695456847 0.14069881928170 127.600 > 28 112 Te 0.52042588136598 0.75204695456847 0.14069881928170 127.600 > 28 *113 La 0.26334716978436 0.30213782488236 0.95692810039986 138.905 > 29 114 La 0.76334716978436 0.30213782488236 0.95692810039986 138.905 > 29 115 La 0.26334716978436 0.80213782488236 0.95692810039986 138.905 > 29 116 La 0.76334716978436 0.80213782488236 0.95692810039986 138.905 > 29 117 La 0.01334716978436 0.44786217511764 0.04307189960014 138.905 > 30 118 La 0.51334716978436 0.44786217511764 0.04307189960014 138.905 > 30 119 La 0.01334716978436 0.94786217511764 0.04307189960014 138.905 > 30 120 La 0.51334716978436 0.94786217511764 0.04307189960014 138.905 > 30 121 La 0.23665283021564 0.05213782488236 0.54307189960014 138.905 > 31 122 La 0.73665283021564 0.05213782488236 0.54307189960014 138.905 > 31 123 La 0.23665283021564 0.55213782488236 0.54307189960014 138.905 > 31 124 La 0.73665283021564 0.55213782488236 0.54307189960014 138.905 > 31 125 La 0.48665283021564 0.19786217511764 0.45692810039986 138.905 > 32 126 La 0.98665283021564 0.19786217511764 0.45692810039986 138.905 > 32 127 La 0.48665283021564 0.69786217511764 0.45692810039986 138.905 > 32 128 La 0.98665283021564 0.69786217511764 0.45692810039986 138.905 > 32 *129 La 0.26483928935946 0.35896805459931 0.35974632462704 138.905 > 33 130 La 0.76483928935946 0.35896805459931 0.35974632462704 138.905 > 33 131 La 0.26483928935946 0.85896805459931 0.35974632462704 138.905 > 33 132 La 0.76483928935946 0.85896805459931 0.35974632462704 138.905 > 33 133 La 0.01483928935946 0.39103194540069 0.64025367537296 138.905 > 34 134 La 0.51483928935946 0.39103194540069 0.64025367537296 138.905 > 34 135 La 0.01483928935946 0.89103194540069 0.64025367537296 138.905 > 34 136 La 0.51483928935946 0.89103194540069 0.64025367537296 138.905 > 34 137 La 0.23516071064054 0.10896805459931 0.14025367537296 138.905 > 35 138 La 0.73516071064054 0.10896805459931 0.14025367537296 138.905 > 35 139 La 0.23516071064054 0.60896805459931 0.14025367537296 138.905 > 35 140 La 0.73516071064054 0.60896805459931 0.14025367537296 138.905 > 35 141 La 0.48516071064054 0.14103194540069 0.85974632462704 138.905 > 36 142 La 0.98516071064054 0.14103194540069 0.85974632462704 138.905 > 36 143 La 0.48516071064054 0.64103194540069 0.85974632462704 138.905 > 36 144 La 0.98516071064054 0.64103194540069 0.85974632462704 138.905 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2171247 0.0000000 0.0000000 0.0000000 4.1536869 0.0000000 0.0000000 0.0000000 4.1965357 -------------------------- Born effective charges -------------------------- 1 O -2.4209866 -0.6393373 -0.5010638 -0.5788215 -1.9118034 -0.4139011 -0.2674061 -0.3911470 -2.4143526 2 O -2.4209866 0.6393373 0.5010638 0.5788215 -1.9118034 -0.4139011 0.2674061 -0.3911470 -2.4143526 3 O -2.4209866 0.6393373 -0.5010638 0.5788215 -1.9118034 0.4139011 -0.2674061 0.3911470 -2.4143526 4 O -2.4209866 -0.6393373 0.5010638 -0.5788215 -1.9118034 0.4139011 0.2674061 0.3911470 -2.4143526 5 O -2.4656423 -0.5282807 0.0607471 -0.5833506 -2.3198847 0.1522054 0.0794623 0.2305613 -2.0344177 6 O -2.4656423 0.5282807 -0.0607471 0.5833506 -2.3198847 0.1522054 -0.0794623 0.2305613 -2.0344177 7 O -2.4656423 0.5282807 0.0607471 0.5833506 -2.3198847 -0.1522054 0.0794623 -0.2305613 -2.0344177 8 O -2.4656423 -0.5282807 -0.0607471 -0.5833506 -2.3198847 -0.1522054 -0.0794623 -0.2305613 -2.0344177 9 O -1.9000756 -0.6501465 -0.4400361 -0.7586423 -1.9907420 0.0810910 -0.5131479 0.0816910 -2.5921744 10 O -1.9000756 0.6501465 0.4400361 0.7586423 -1.9907420 0.0810910 0.5131479 0.0816910 -2.5921744 11 O -1.9000756 0.6501465 -0.4400361 0.7586423 -1.9907420 -0.0810910 -0.5131479 -0.0816910 -2.5921744 12 O -1.9000756 -0.6501465 0.4400361 -0.7586423 -1.9907420 -0.0810910 0.5131479 -0.0816910 -2.5921744 13 O -2.1308499 0.7157343 -0.4436270 0.7544780 -1.9497121 0.0560332 -0.6146846 0.1134136 -2.5786461 14 O -2.1308499 -0.7157343 0.4436270 -0.7544780 -1.9497121 0.0560332 0.6146846 0.1134136 -2.5786461 15 O -2.1308499 -0.7157343 -0.4436270 -0.7544780 -1.9497121 -0.0560332 -0.6146846 -0.1134136 -2.5786461 16 O -2.1308499 0.7157343 0.4436270 0.7544780 -1.9497121 -0.0560332 0.6146846 -0.1134136 -2.5786461 17 O -2.4114623 -0.1946431 -0.1118034 -0.2417846 -2.3342859 0.1753212 -0.1020301 0.1553603 -2.1561696 18 O -2.4114623 0.1946431 0.1118034 0.2417846 -2.3342859 0.1753212 0.1020301 0.1553603 -2.1561696 19 O -2.4114623 0.1946431 -0.1118034 0.2417846 -2.3342859 -0.1753212 -0.1020301 -0.1553603 -2.1561696 20 O -2.4114623 -0.1946431 0.1118034 -0.2417846 -2.3342859 -0.1753212 0.1020301 -0.1553603 -2.1561696 21 O -2.4622878 0.1095415 -0.5858621 0.0872314 -2.7578454 -0.3195102 -0.6190134 -0.2998014 -1.6076904 22 O -2.4622878 -0.1095415 0.5858621 -0.0872314 -2.7578454 -0.3195102 0.6190134 -0.2998014 -1.6076904 23 O -2.4622878 -0.1095415 -0.5858621 -0.0872314 -2.7578454 0.3195102 -0.6190134 0.2998014 -1.6076904 24 O -2.4622878 0.1095415 0.5858621 0.0872314 -2.7578454 0.3195102 0.6190134 0.2998014 -1.6076904 25 Te 5.1982989 0.0830342 -0.2083127 0.0933311 4.9511127 0.0413878 -0.0118193 -0.1690600 5.0921842 26 Te 5.1982989 -0.0830342 0.2083127 -0.0933311 4.9511127 0.0413878 0.0118193 -0.1690600 5.0921842 27 Te 5.1982989 -0.0830342 -0.2083127 -0.0933311 4.9511127 -0.0413878 -0.0118193 0.1690600 5.0921842 28 Te 5.1982989 0.0830342 0.2083127 0.0933311 4.9511127 -0.0413878 0.0118193 0.1690600 5.0921842 29 La 4.0444597 0.0958130 0.0651125 0.0507394 4.0433246 0.1021616 0.2784664 -0.0910217 4.1475186 30 La 4.0444597 -0.0958130 -0.0651125 -0.0507394 4.0433246 0.1021616 -0.2784664 -0.0910217 4.1475186 31 La 4.0444597 -0.0958130 0.0651125 -0.0507394 4.0433246 -0.1021616 0.2784664 0.0910217 4.1475186 32 La 4.0444597 0.0958130 -0.0651125 0.0507394 4.0433246 -0.1021616 -0.2784664 0.0910217 4.1475186 33 La 4.5485459 0.0407004 -0.1369294 0.1961209 4.2698361 0.1922300 -0.2899267 0.2402300 4.1437480 34 La 4.5485459 -0.0407004 0.1369294 -0.1961209 4.2698361 0.1922300 0.2899267 0.2402300 4.1437480 35 La 4.5485459 -0.0407004 -0.1369294 -0.1961209 4.2698361 -0.1922300 -0.2899267 -0.2402300 4.1437480 36 La 4.5485459 0.0407004 0.1369294 0.1961209 4.2698361 -0.1922300 0.2899267 -0.2402300 4.1437480 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.852 Solver_block: 200 / 1120 - Time: 1.646 Solver_block: 300 / 1120 - Time: 1.650 Solver_block: 400 / 1120 - Time: 1.652 Solver_block: 500 / 1120 - Time: 1.645 Solver_block: 600 / 1120 - Time: 1.648 Solver_block: 700 / 1120 - Time: 1.648 Solver_block: 800 / 1120 - Time: 1.645 Solver_block: 900 / 1120 - Time: 1.652 Solver_block: 1000 / 1120 - Time: 1.654 Solver_block: 1100 / 1120 - Time: 1.648 Solver_block: 1120 / 1120 - Time: 0.498 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.334 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5940 Number of blocks in projector: 5940 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 232), data: True |-- (250, 234), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:14:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:14:42]------------------------- Compiled with OpenMP support (max 128 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.501870140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.429394860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.342954750000002 Atomic positions (fractional): 1 O 0.30220839967867 0.63819071950793 0.17511519441729 15.999 2 O 0.80220839967867 0.86180928049207 0.82488480558271 15.999 3 O 0.69779160032133 0.13819071950793 0.32488480558271 15.999 4 O 0.19779160032133 0.36180928049207 0.67511519441729 15.999 5 O 0.71928015696865 0.61155832686645 0.56332120311465 15.999 6 O 0.21928015696865 0.88844167313355 0.43667879688535 15.999 7 O 0.28071984303135 0.11155832686645 0.93667879688535 15.999 8 O 0.78071984303135 0.38844167313355 0.06332120311465 15.999 9 O 0.67693629261888 0.13588510861396 0.74513234943975 15.999 10 O 0.17693629261888 0.36411489138603 0.25486765056025 15.999 11 O 0.32306370738112 0.63588510861396 0.75486765056025 15.999 12 O 0.82306370738112 0.86411489138604 0.24513234943975 15.999 13 O 0.66933793687639 0.44618414073174 0.78183704425647 15.999 14 O 0.16933793687640 0.05381585926826 0.21816295574354 15.999 15 O 0.33066206312361 0.94618414073174 0.71816295574353 15.999 16 O 0.83066206312361 0.55381585926826 0.28183704425646 15.999 17 O 0.25175336063018 0.58642618578593 0.50877723094488 15.999 18 O 0.75175336063018 0.91357381421407 0.49122276905512 15.999 19 O 0.74824663936982 0.08642618578593 0.99122276905512 15.999 20 O 0.24824663936982 0.41357381421407 0.00877723094488 15.999 21 O 0.06743129546941 0.14798735253779 0.48034011731690 15.999 22 O 0.56743129546941 0.35201264746221 0.51965988268310 15.999 23 O 0.93256870453059 0.64798735253779 0.01965988268310 15.999 24 O 0.43256870453059 0.85201264746221 0.98034011731690 15.999 25 Te 0.45914823726804 0.49590609086306 0.64069881928170 127.600 26 Te 0.95914823726804 0.00409390913694 0.35930118071830 127.600 27 Te 0.54085176273196 0.99590609086306 0.85930118071830 127.600 28 Te 0.04085176273196 0.50409390913694 0.14069881928170 127.600 29 La 0.52669433956872 0.60427564976473 0.95692810039986 138.905 30 La 0.02669433956872 0.89572435023527 0.04307189960014 138.905 31 La 0.47330566043128 0.10427564976473 0.54307189960014 138.905 32 La 0.97330566043128 0.39572435023528 0.45692810039986 138.905 33 La 0.52967857871893 0.71793610919862 0.35974632462704 138.905 34 La 0.02967857871893 0.78206389080138 0.64025367537296 138.905 35 La 0.47032142128107 0.21793610919862 0.14025367537296 138.905 36 La 0.97032142128107 0.28206389080138 0.85974632462704 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.003740280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.858789720000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.342954750000002 Atomic positions (fractional): 1 O 0.15110419983934 0.31909535975396 0.17511519441729 15.999 > 1 2 O 0.65110419983934 0.31909535975396 0.17511519441729 15.999 > 1 3 O 0.15110419983934 0.81909535975396 0.17511519441729 15.999 > 1 4 O 0.65110419983934 0.81909535975396 0.17511519441729 15.999 > 1 5 O 0.40110419983934 0.43090464024604 0.82488480558271 15.999 > 5 6 O 0.90110419983934 0.43090464024604 0.82488480558271 15.999 > 5 7 O 0.40110419983934 0.93090464024604 0.82488480558271 15.999 > 5 8 O 0.90110419983934 0.93090464024604 0.82488480558271 15.999 > 5 9 O 0.34889580016066 0.06909535975396 0.32488480558271 15.999 > 9 10 O 0.84889580016066 0.06909535975396 0.32488480558271 15.999 > 9 11 O 0.34889580016066 0.56909535975396 0.32488480558271 15.999 > 9 12 O 0.84889580016066 0.56909535975396 0.32488480558271 15.999 > 9 13 O 0.09889580016066 0.18090464024604 0.67511519441729 15.999 > 13 14 O 0.59889580016066 0.18090464024604 0.67511519441729 15.999 > 13 15 O 0.09889580016066 0.68090464024604 0.67511519441729 15.999 > 13 16 O 0.59889580016066 0.68090464024604 0.67511519441729 15.999 > 13 17 O 0.35964007848432 0.30577916343323 0.56332120311465 15.999 > 17 18 O 0.85964007848432 0.30577916343323 0.56332120311465 15.999 > 17 19 O 0.35964007848432 0.80577916343323 0.56332120311465 15.999 > 17 20 O 0.85964007848432 0.80577916343323 0.56332120311465 15.999 > 17 21 O 0.10964007848432 0.44422083656677 0.43667879688535 15.999 > 21 22 O 0.60964007848432 0.44422083656677 0.43667879688535 15.999 > 21 23 O 0.10964007848432 0.94422083656677 0.43667879688535 15.999 > 21 24 O 0.60964007848432 0.94422083656677 0.43667879688535 15.999 > 21 25 O 0.14035992151568 0.05577916343323 0.93667879688535 15.999 > 25 26 O 0.64035992151568 0.05577916343323 0.93667879688535 15.999 > 25 27 O 0.14035992151568 0.55577916343323 0.93667879688535 15.999 > 25 28 O 0.64035992151568 0.55577916343323 0.93667879688535 15.999 > 25 29 O 0.39035992151568 0.19422083656677 0.06332120311465 15.999 > 29 30 O 0.89035992151568 0.19422083656677 0.06332120311465 15.999 > 29 31 O 0.39035992151568 0.69422083656677 0.06332120311465 15.999 > 29 32 O 0.89035992151568 0.69422083656677 0.06332120311465 15.999 > 29 33 O 0.33846814630944 0.06794255430698 0.74513234943975 15.999 > 33 34 O 0.83846814630944 0.06794255430698 0.74513234943975 15.999 > 33 35 O 0.33846814630944 0.56794255430698 0.74513234943975 15.999 > 33 36 O 0.83846814630944 0.56794255430698 0.74513234943975 15.999 > 33 37 O 0.08846814630944 0.18205744569302 0.25486765056025 15.999 > 37 38 O 0.58846814630944 0.18205744569302 0.25486765056025 15.999 > 37 39 O 0.08846814630944 0.68205744569302 0.25486765056025 15.999 > 37 40 O 0.58846814630944 0.68205744569302 0.25486765056025 15.999 > 37 41 O 0.16153185369056 0.31794255430698 0.75486765056025 15.999 > 41 42 O 0.66153185369056 0.31794255430698 0.75486765056025 15.999 > 41 43 O 0.16153185369056 0.81794255430698 0.75486765056025 15.999 > 41 44 O 0.66153185369056 0.81794255430698 0.75486765056025 15.999 > 41 45 O 0.41153185369056 0.43205744569302 0.24513234943975 15.999 > 45 46 O 0.91153185369056 0.43205744569302 0.24513234943975 15.999 > 45 47 O 0.41153185369056 0.93205744569302 0.24513234943975 15.999 > 45 48 O 0.91153185369056 0.93205744569302 0.24513234943975 15.999 > 45 49 O 0.33466896843820 0.22309207036587 0.78183704425647 15.999 > 49 50 O 0.83466896843820 0.22309207036587 0.78183704425647 15.999 > 49 51 O 0.33466896843820 0.72309207036587 0.78183704425647 15.999 > 49 52 O 0.83466896843820 0.72309207036587 0.78183704425647 15.999 > 49 53 O 0.08466896843820 0.02690792963413 0.21816295574354 15.999 > 53 54 O 0.58466896843820 0.02690792963413 0.21816295574354 15.999 > 53 55 O 0.08466896843820 0.52690792963413 0.21816295574354 15.999 > 53 56 O 0.58466896843820 0.52690792963413 0.21816295574354 15.999 > 53 57 O 0.16533103156180 0.47309207036587 0.71816295574353 15.999 > 57 58 O 0.66533103156180 0.47309207036587 0.71816295574353 15.999 > 57 59 O 0.16533103156180 0.97309207036587 0.71816295574353 15.999 > 57 60 O 0.66533103156180 0.97309207036587 0.71816295574353 15.999 > 57 61 O 0.41533103156180 0.27690792963413 0.28183704425646 15.999 > 61 62 O 0.91533103156180 0.27690792963413 0.28183704425646 15.999 > 61 63 O 0.41533103156180 0.77690792963413 0.28183704425646 15.999 > 61 64 O 0.91533103156180 0.77690792963413 0.28183704425646 15.999 > 61 65 O 0.12587668031509 0.29321309289297 0.50877723094488 15.999 > 65 66 O 0.62587668031509 0.29321309289297 0.50877723094488 15.999 > 65 67 O 0.12587668031509 0.79321309289297 0.50877723094488 15.999 > 65 68 O 0.62587668031509 0.79321309289297 0.50877723094488 15.999 > 65 69 O 0.37587668031509 0.45678690710703 0.49122276905512 15.999 > 69 70 O 0.87587668031509 0.45678690710703 0.49122276905512 15.999 > 69 71 O 0.37587668031509 0.95678690710703 0.49122276905512 15.999 > 69 72 O 0.87587668031509 0.95678690710703 0.49122276905512 15.999 > 69 73 O 0.37412331968491 0.04321309289297 0.99122276905512 15.999 > 73 74 O 0.87412331968491 0.04321309289297 0.99122276905512 15.999 > 73 75 O 0.37412331968491 0.54321309289297 0.99122276905512 15.999 > 73 76 O 0.87412331968491 0.54321309289297 0.99122276905512 15.999 > 73 77 O 0.12412331968491 0.20678690710703 0.00877723094488 15.999 > 77 78 O 0.62412331968491 0.20678690710703 0.00877723094488 15.999 > 77 79 O 0.12412331968491 0.70678690710703 0.00877723094488 15.999 > 77 80 O 0.62412331968491 0.70678690710703 0.00877723094488 15.999 > 77 81 O 0.03371564773470 0.07399367626890 0.48034011731690 15.999 > 81 82 O 0.53371564773471 0.07399367626890 0.48034011731690 15.999 > 81 83 O 0.03371564773470 0.57399367626890 0.48034011731690 15.999 > 81 84 O 0.53371564773471 0.57399367626890 0.48034011731690 15.999 > 81 85 O 0.28371564773471 0.17600632373110 0.51965988268310 15.999 > 85 86 O 0.78371564773471 0.17600632373110 0.51965988268310 15.999 > 85 87 O 0.28371564773471 0.67600632373110 0.51965988268310 15.999 > 85 88 O 0.78371564773471 0.67600632373110 0.51965988268310 15.999 > 85 89 O 0.46628435226529 0.32399367626890 0.01965988268310 15.999 > 89 90 O 0.96628435226529 0.32399367626890 0.01965988268310 15.999 > 89 91 O 0.46628435226529 0.82399367626890 0.01965988268310 15.999 > 89 92 O 0.96628435226529 0.82399367626890 0.01965988268310 15.999 > 89 93 O 0.21628435226529 0.42600632373110 0.98034011731690 15.999 > 93 94 O 0.71628435226529 0.42600632373110 0.98034011731690 15.999 > 93 95 O 0.21628435226529 0.92600632373110 0.98034011731690 15.999 > 93 96 O 0.71628435226529 0.92600632373110 0.98034011731690 15.999 > 93 97 Te 0.22957411863402 0.24795304543153 0.64069881928170 127.600 > 97 98 Te 0.72957411863402 0.24795304543153 0.64069881928170 127.600 > 97 99 Te 0.22957411863402 0.74795304543153 0.64069881928170 127.600 > 97 100 Te 0.72957411863402 0.74795304543153 0.64069881928170 127.600 > 97 101 Te 0.47957411863402 0.00204695456847 0.35930118071830 127.600 > 101 102 Te 0.97957411863402 0.00204695456847 0.35930118071830 127.600 > 101 103 Te 0.47957411863402 0.50204695456847 0.35930118071830 127.600 > 101 104 Te 0.97957411863402 0.50204695456847 0.35930118071830 127.600 > 101 105 Te 0.27042588136598 0.49795304543153 0.85930118071830 127.600 > 105 106 Te 0.77042588136598 0.49795304543153 0.85930118071830 127.600 > 105 107 Te 0.27042588136598 0.99795304543153 0.85930118071830 127.600 > 105 108 Te 0.77042588136598 0.99795304543153 0.85930118071830 127.600 > 105 109 Te 0.02042588136598 0.25204695456847 0.14069881928170 127.600 > 109 110 Te 0.52042588136598 0.25204695456847 0.14069881928170 127.600 > 109 111 Te 0.02042588136598 0.75204695456847 0.14069881928170 127.600 > 109 112 Te 0.52042588136598 0.75204695456847 0.14069881928170 127.600 > 109 113 La 0.26334716978436 0.30213782488236 0.95692810039986 138.905 > 113 114 La 0.76334716978436 0.30213782488236 0.95692810039986 138.905 > 113 115 La 0.26334716978436 0.80213782488236 0.95692810039986 138.905 > 113 116 La 0.76334716978436 0.80213782488236 0.95692810039986 138.905 > 113 117 La 0.01334716978436 0.44786217511764 0.04307189960014 138.905 > 117 118 La 0.51334716978436 0.44786217511764 0.04307189960014 138.905 > 117 119 La 0.01334716978436 0.94786217511764 0.04307189960014 138.905 > 117 120 La 0.51334716978436 0.94786217511764 0.04307189960014 138.905 > 117 121 La 0.23665283021564 0.05213782488236 0.54307189960014 138.905 > 121 122 La 0.73665283021564 0.05213782488236 0.54307189960014 138.905 > 121 123 La 0.23665283021564 0.55213782488236 0.54307189960014 138.905 > 121 124 La 0.73665283021564 0.55213782488236 0.54307189960014 138.905 > 121 125 La 0.48665283021564 0.19786217511764 0.45692810039986 138.905 > 125 126 La 0.98665283021564 0.19786217511764 0.45692810039986 138.905 > 125 127 La 0.48665283021564 0.69786217511764 0.45692810039986 138.905 > 125 128 La 0.98665283021564 0.69786217511764 0.45692810039986 138.905 > 125 129 La 0.26483928935946 0.35896805459931 0.35974632462704 138.905 > 129 130 La 0.76483928935946 0.35896805459931 0.35974632462704 138.905 > 129 131 La 0.26483928935946 0.85896805459931 0.35974632462704 138.905 > 129 132 La 0.76483928935946 0.85896805459931 0.35974632462704 138.905 > 129 133 La 0.01483928935946 0.39103194540069 0.64025367537296 138.905 > 133 134 La 0.51483928935946 0.39103194540069 0.64025367537296 138.905 > 133 135 La 0.01483928935946 0.89103194540069 0.64025367537296 138.905 > 133 136 La 0.51483928935946 0.89103194540069 0.64025367537296 138.905 > 133 137 La 0.23516071064054 0.10896805459931 0.14025367537296 138.905 > 137 138 La 0.73516071064054 0.10896805459931 0.14025367537296 138.905 > 137 139 La 0.23516071064054 0.60896805459931 0.14025367537296 138.905 > 137 140 La 0.73516071064054 0.60896805459931 0.14025367537296 138.905 > 137 141 La 0.48516071064054 0.14103194540069 0.85974632462704 138.905 > 141 142 La 0.98516071064054 0.14103194540069 0.85974632462704 138.905 > 141 143 La 0.48516071064054 0.64103194540069 0.85974632462704 138.905 > 141 144 La 0.98516071064054 0.64103194540069 0.85974632462704 138.905 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2171247 0.0000000 0.0000000 0.0000000 4.1536869 0.0000000 0.0000000 0.0000000 4.1965357 -------------------------- Born effective charges -------------------------- 1 O -2.4209866 -0.6393373 -0.5010638 -0.5788215 -1.9118034 -0.4139011 -0.2674061 -0.3911470 -2.4143526 2 O -2.4209866 0.6393373 0.5010638 0.5788215 -1.9118034 -0.4139011 0.2674061 -0.3911470 -2.4143526 3 O -2.4209866 0.6393373 -0.5010638 0.5788215 -1.9118034 0.4139011 -0.2674061 0.3911470 -2.4143526 4 O -2.4209866 -0.6393373 0.5010638 -0.5788215 -1.9118034 0.4139011 0.2674061 0.3911470 -2.4143526 5 O -2.4656423 -0.5282807 0.0607471 -0.5833506 -2.3198847 0.1522054 0.0794623 0.2305613 -2.0344177 6 O -2.4656423 0.5282807 -0.0607471 0.5833506 -2.3198847 0.1522054 -0.0794623 0.2305613 -2.0344177 7 O -2.4656423 0.5282807 0.0607471 0.5833506 -2.3198847 -0.1522054 0.0794623 -0.2305613 -2.0344177 8 O -2.4656423 -0.5282807 -0.0607471 -0.5833506 -2.3198847 -0.1522054 -0.0794623 -0.2305613 -2.0344177 9 O -1.9000756 -0.6501465 -0.4400361 -0.7586423 -1.9907420 0.0810910 -0.5131479 0.0816910 -2.5921744 10 O -1.9000756 0.6501465 0.4400361 0.7586423 -1.9907420 0.0810910 0.5131479 0.0816910 -2.5921744 11 O -1.9000756 0.6501465 -0.4400361 0.7586423 -1.9907420 -0.0810910 -0.5131479 -0.0816910 -2.5921744 12 O -1.9000756 -0.6501465 0.4400361 -0.7586423 -1.9907420 -0.0810910 0.5131479 -0.0816910 -2.5921744 13 O -2.1308499 0.7157343 -0.4436270 0.7544780 -1.9497121 0.0560332 -0.6146846 0.1134136 -2.5786461 14 O -2.1308499 -0.7157343 0.4436270 -0.7544780 -1.9497121 0.0560332 0.6146846 0.1134136 -2.5786461 15 O -2.1308499 -0.7157343 -0.4436270 -0.7544780 -1.9497121 -0.0560332 -0.6146846 -0.1134136 -2.5786461 16 O -2.1308499 0.7157343 0.4436270 0.7544780 -1.9497121 -0.0560332 0.6146846 -0.1134136 -2.5786461 17 O -2.4114623 -0.1946431 -0.1118034 -0.2417846 -2.3342859 0.1753212 -0.1020301 0.1553603 -2.1561696 18 O -2.4114623 0.1946431 0.1118034 0.2417846 -2.3342859 0.1753212 0.1020301 0.1553603 -2.1561696 19 O -2.4114623 0.1946431 -0.1118034 0.2417846 -2.3342859 -0.1753212 -0.1020301 -0.1553603 -2.1561696 20 O -2.4114623 -0.1946431 0.1118034 -0.2417846 -2.3342859 -0.1753212 0.1020301 -0.1553603 -2.1561696 21 O -2.4622878 0.1095415 -0.5858621 0.0872314 -2.7578454 -0.3195102 -0.6190134 -0.2998014 -1.6076904 22 O -2.4622878 -0.1095415 0.5858621 -0.0872314 -2.7578454 -0.3195102 0.6190134 -0.2998014 -1.6076904 23 O -2.4622878 -0.1095415 -0.5858621 -0.0872314 -2.7578454 0.3195102 -0.6190134 0.2998014 -1.6076904 24 O -2.4622878 0.1095415 0.5858621 0.0872314 -2.7578454 0.3195102 0.6190134 0.2998014 -1.6076904 25 Te 5.1982989 0.0830342 -0.2083127 0.0933311 4.9511127 0.0413878 -0.0118193 -0.1690600 5.0921842 26 Te 5.1982989 -0.0830342 0.2083127 -0.0933311 4.9511127 0.0413878 0.0118193 -0.1690600 5.0921842 27 Te 5.1982989 -0.0830342 -0.2083127 -0.0933311 4.9511127 -0.0413878 -0.0118193 0.1690600 5.0921842 28 Te 5.1982989 0.0830342 0.2083127 0.0933311 4.9511127 -0.0413878 0.0118193 0.1690600 5.0921842 29 La 4.0444597 0.0958130 0.0651125 0.0507394 4.0433246 0.1021616 0.2784664 -0.0910217 4.1475186 30 La 4.0444597 -0.0958130 -0.0651125 -0.0507394 4.0433246 0.1021616 -0.2784664 -0.0910217 4.1475186 31 La 4.0444597 -0.0958130 0.0651125 -0.0507394 4.0433246 -0.1021616 0.2784664 0.0910217 4.1475186 32 La 4.0444597 0.0958130 -0.0651125 0.0507394 4.0433246 -0.1021616 -0.2784664 0.0910217 4.1475186 33 La 4.5485459 0.0407004 -0.1369294 0.1961209 4.2698361 0.1922300 -0.2899267 0.2402300 4.1437480 34 La 4.5485459 -0.0407004 0.1369294 -0.1961209 4.2698361 0.1922300 0.2899267 0.2402300 4.1437480 35 La 4.5485459 -0.0407004 -0.1369294 -0.1961209 4.2698361 -0.1922300 -0.2899267 -0.2402300 4.1437480 36 La 4.5485459 0.0407004 0.1369294 0.1961209 4.2698361 -0.1922300 0.2899267 -0.2402300 4.1437480 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xz) 0.00000003 (xz) 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 03:15:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:15:44]------------------------- Compiled with OpenMP support (max 128 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): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.501870140000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.429394860000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.342954750000002 Atomic positions (fractional): 1 O 0.30220839967867 0.63819071950793 0.17511519441729 15.999 2 O 0.80220839967867 0.86180928049207 0.82488480558271 15.999 3 O 0.69779160032133 0.13819071950793 0.32488480558271 15.999 4 O 0.19779160032133 0.36180928049207 0.67511519441729 15.999 5 O 0.71928015696865 0.61155832686645 0.56332120311465 15.999 6 O 0.21928015696865 0.88844167313355 0.43667879688535 15.999 7 O 0.28071984303135 0.11155832686645 0.93667879688535 15.999 8 O 0.78071984303135 0.38844167313355 0.06332120311465 15.999 9 O 0.67693629261888 0.13588510861396 0.74513234943975 15.999 10 O 0.17693629261888 0.36411489138603 0.25486765056025 15.999 11 O 0.32306370738112 0.63588510861396 0.75486765056025 15.999 12 O 0.82306370738112 0.86411489138604 0.24513234943975 15.999 13 O 0.66933793687639 0.44618414073174 0.78183704425647 15.999 14 O 0.16933793687640 0.05381585926826 0.21816295574354 15.999 15 O 0.33066206312361 0.94618414073174 0.71816295574353 15.999 16 O 0.83066206312361 0.55381585926826 0.28183704425646 15.999 17 O 0.25175336063018 0.58642618578593 0.50877723094488 15.999 18 O 0.75175336063018 0.91357381421407 0.49122276905512 15.999 19 O 0.74824663936982 0.08642618578593 0.99122276905512 15.999 20 O 0.24824663936982 0.41357381421407 0.00877723094488 15.999 21 O 0.06743129546941 0.14798735253779 0.48034011731690 15.999 22 O 0.56743129546941 0.35201264746221 0.51965988268310 15.999 23 O 0.93256870453059 0.64798735253779 0.01965988268310 15.999 24 O 0.43256870453059 0.85201264746221 0.98034011731690 15.999 25 Te 0.45914823726804 0.49590609086306 0.64069881928170 127.600 26 Te 0.95914823726804 0.00409390913694 0.35930118071830 127.600 27 Te 0.54085176273196 0.99590609086306 0.85930118071830 127.600 28 Te 0.04085176273196 0.50409390913694 0.14069881928170 127.600 29 La 0.52669433956872 0.60427564976473 0.95692810039986 138.905 30 La 0.02669433956872 0.89572435023527 0.04307189960014 138.905 31 La 0.47330566043128 0.10427564976473 0.54307189960014 138.905 32 La 0.97330566043128 0.39572435023528 0.45692810039986 138.905 33 La 0.52967857871893 0.71793610919862 0.35974632462704 138.905 34 La 0.02967857871893 0.78206389080138 0.64025367537296 138.905 35 La 0.47032142128107 0.21793610919862 0.14025367537296 138.905 36 La 0.97032142128107 0.28206389080138 0.85974632462704 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.003740280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 18.858789720000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.342954750000002 Atomic positions (fractional): 1 O 0.15110419983934 0.31909535975396 0.17511519441729 15.999 > 1 2 O 0.65110419983934 0.31909535975396 0.17511519441729 15.999 > 1 3 O 0.15110419983934 0.81909535975396 0.17511519441729 15.999 > 1 4 O 0.65110419983934 0.81909535975396 0.17511519441729 15.999 > 1 5 O 0.40110419983934 0.43090464024604 0.82488480558271 15.999 > 5 6 O 0.90110419983934 0.43090464024604 0.82488480558271 15.999 > 5 7 O 0.40110419983934 0.93090464024604 0.82488480558271 15.999 > 5 8 O 0.90110419983934 0.93090464024604 0.82488480558271 15.999 > 5 9 O 0.34889580016066 0.06909535975396 0.32488480558271 15.999 > 9 10 O 0.84889580016066 0.06909535975396 0.32488480558271 15.999 > 9 11 O 0.34889580016066 0.56909535975396 0.32488480558271 15.999 > 9 12 O 0.84889580016066 0.56909535975396 0.32488480558271 15.999 > 9 13 O 0.09889580016066 0.18090464024604 0.67511519441729 15.999 > 13 14 O 0.59889580016066 0.18090464024604 0.67511519441729 15.999 > 13 15 O 0.09889580016066 0.68090464024604 0.67511519441729 15.999 > 13 16 O 0.59889580016066 0.68090464024604 0.67511519441729 15.999 > 13 17 O 0.35964007848432 0.30577916343323 0.56332120311465 15.999 > 17 18 O 0.85964007848432 0.30577916343323 0.56332120311465 15.999 > 17 19 O 0.35964007848432 0.80577916343323 0.56332120311465 15.999 > 17 20 O 0.85964007848432 0.80577916343323 0.56332120311465 15.999 > 17 21 O 0.10964007848432 0.44422083656677 0.43667879688535 15.999 > 21 22 O 0.60964007848432 0.44422083656677 0.43667879688535 15.999 > 21 23 O 0.10964007848432 0.94422083656677 0.43667879688535 15.999 > 21 24 O 0.60964007848432 0.94422083656677 0.43667879688535 15.999 > 21 25 O 0.14035992151568 0.05577916343323 0.93667879688535 15.999 > 25 26 O 0.64035992151568 0.05577916343323 0.93667879688535 15.999 > 25 27 O 0.14035992151568 0.55577916343323 0.93667879688535 15.999 > 25 28 O 0.64035992151568 0.55577916343323 0.93667879688535 15.999 > 25 29 O 0.39035992151568 0.19422083656677 0.06332120311465 15.999 > 29 30 O 0.89035992151568 0.19422083656677 0.06332120311465 15.999 > 29 31 O 0.39035992151568 0.69422083656677 0.06332120311465 15.999 > 29 32 O 0.89035992151568 0.69422083656677 0.06332120311465 15.999 > 29 33 O 0.33846814630944 0.06794255430698 0.74513234943975 15.999 > 33 34 O 0.83846814630944 0.06794255430698 0.74513234943975 15.999 > 33 35 O 0.33846814630944 0.56794255430698 0.74513234943975 15.999 > 33 36 O 0.83846814630944 0.56794255430698 0.74513234943975 15.999 > 33 37 O 0.08846814630944 0.18205744569302 0.25486765056025 15.999 > 37 38 O 0.58846814630944 0.18205744569302 0.25486765056025 15.999 > 37 39 O 0.08846814630944 0.68205744569302 0.25486765056025 15.999 > 37 40 O 0.58846814630944 0.68205744569302 0.25486765056025 15.999 > 37 41 O 0.16153185369056 0.31794255430698 0.75486765056025 15.999 > 41 42 O 0.66153185369056 0.31794255430698 0.75486765056025 15.999 > 41 43 O 0.16153185369056 0.81794255430698 0.75486765056025 15.999 > 41 44 O 0.66153185369056 0.81794255430698 0.75486765056025 15.999 > 41 45 O 0.41153185369056 0.43205744569302 0.24513234943975 15.999 > 45 46 O 0.91153185369056 0.43205744569302 0.24513234943975 15.999 > 45 47 O 0.41153185369056 0.93205744569302 0.24513234943975 15.999 > 45 48 O 0.91153185369056 0.93205744569302 0.24513234943975 15.999 > 45 49 O 0.33466896843820 0.22309207036587 0.78183704425647 15.999 > 49 50 O 0.83466896843820 0.22309207036587 0.78183704425647 15.999 > 49 51 O 0.33466896843820 0.72309207036587 0.78183704425647 15.999 > 49 52 O 0.83466896843820 0.72309207036587 0.78183704425647 15.999 > 49 53 O 0.08466896843820 0.02690792963413 0.21816295574354 15.999 > 53 54 O 0.58466896843820 0.02690792963413 0.21816295574354 15.999 > 53 55 O 0.08466896843820 0.52690792963413 0.21816295574354 15.999 > 53 56 O 0.58466896843820 0.52690792963413 0.21816295574354 15.999 > 53 57 O 0.16533103156180 0.47309207036587 0.71816295574353 15.999 > 57 58 O 0.66533103156180 0.47309207036587 0.71816295574353 15.999 > 57 59 O 0.16533103156180 0.97309207036587 0.71816295574353 15.999 > 57 60 O 0.66533103156180 0.97309207036587 0.71816295574353 15.999 > 57 61 O 0.41533103156180 0.27690792963413 0.28183704425646 15.999 > 61 62 O 0.91533103156180 0.27690792963413 0.28183704425646 15.999 > 61 63 O 0.41533103156180 0.77690792963413 0.28183704425646 15.999 > 61 64 O 0.91533103156180 0.77690792963413 0.28183704425646 15.999 > 61 65 O 0.12587668031509 0.29321309289297 0.50877723094488 15.999 > 65 66 O 0.62587668031509 0.29321309289297 0.50877723094488 15.999 > 65 67 O 0.12587668031509 0.79321309289297 0.50877723094488 15.999 > 65 68 O 0.62587668031509 0.79321309289297 0.50877723094488 15.999 > 65 69 O 0.37587668031509 0.45678690710703 0.49122276905512 15.999 > 69 70 O 0.87587668031509 0.45678690710703 0.49122276905512 15.999 > 69 71 O 0.37587668031509 0.95678690710703 0.49122276905512 15.999 > 69 72 O 0.87587668031509 0.95678690710703 0.49122276905512 15.999 > 69 73 O 0.37412331968491 0.04321309289297 0.99122276905512 15.999 > 73 74 O 0.87412331968491 0.04321309289297 0.99122276905512 15.999 > 73 75 O 0.37412331968491 0.54321309289297 0.99122276905512 15.999 > 73 76 O 0.87412331968491 0.54321309289297 0.99122276905512 15.999 > 73 77 O 0.12412331968491 0.20678690710703 0.00877723094488 15.999 > 77 78 O 0.62412331968491 0.20678690710703 0.00877723094488 15.999 > 77 79 O 0.12412331968491 0.70678690710703 0.00877723094488 15.999 > 77 80 O 0.62412331968491 0.70678690710703 0.00877723094488 15.999 > 77 81 O 0.03371564773470 0.07399367626890 0.48034011731690 15.999 > 81 82 O 0.53371564773471 0.07399367626890 0.48034011731690 15.999 > 81 83 O 0.03371564773470 0.57399367626890 0.48034011731690 15.999 > 81 84 O 0.53371564773471 0.57399367626890 0.48034011731690 15.999 > 81 85 O 0.28371564773471 0.17600632373110 0.51965988268310 15.999 > 85 86 O 0.78371564773471 0.17600632373110 0.51965988268310 15.999 > 85 87 O 0.28371564773471 0.67600632373110 0.51965988268310 15.999 > 85 88 O 0.78371564773471 0.67600632373110 0.51965988268310 15.999 > 85 89 O 0.46628435226529 0.32399367626890 0.01965988268310 15.999 > 89 90 O 0.96628435226529 0.32399367626890 0.01965988268310 15.999 > 89 91 O 0.46628435226529 0.82399367626890 0.01965988268310 15.999 > 89 92 O 0.96628435226529 0.82399367626890 0.01965988268310 15.999 > 89 93 O 0.21628435226529 0.42600632373110 0.98034011731690 15.999 > 93 94 O 0.71628435226529 0.42600632373110 0.98034011731690 15.999 > 93 95 O 0.21628435226529 0.92600632373110 0.98034011731690 15.999 > 93 96 O 0.71628435226529 0.92600632373110 0.98034011731690 15.999 > 93 97 Te 0.22957411863402 0.24795304543153 0.64069881928170 127.600 > 97 98 Te 0.72957411863402 0.24795304543153 0.64069881928170 127.600 > 97 99 Te 0.22957411863402 0.74795304543153 0.64069881928170 127.600 > 97 100 Te 0.72957411863402 0.74795304543153 0.64069881928170 127.600 > 97 101 Te 0.47957411863402 0.00204695456847 0.35930118071830 127.600 > 101 102 Te 0.97957411863402 0.00204695456847 0.35930118071830 127.600 > 101 103 Te 0.47957411863402 0.50204695456847 0.35930118071830 127.600 > 101 104 Te 0.97957411863402 0.50204695456847 0.35930118071830 127.600 > 101 105 Te 0.27042588136598 0.49795304543153 0.85930118071830 127.600 > 105 106 Te 0.77042588136598 0.49795304543153 0.85930118071830 127.600 > 105 107 Te 0.27042588136598 0.99795304543153 0.85930118071830 127.600 > 105 108 Te 0.77042588136598 0.99795304543153 0.85930118071830 127.600 > 105 109 Te 0.02042588136598 0.25204695456847 0.14069881928170 127.600 > 109 110 Te 0.52042588136598 0.25204695456847 0.14069881928170 127.600 > 109 111 Te 0.02042588136598 0.75204695456847 0.14069881928170 127.600 > 109 112 Te 0.52042588136598 0.75204695456847 0.14069881928170 127.600 > 109 113 La 0.26334716978436 0.30213782488236 0.95692810039986 138.905 > 113 114 La 0.76334716978436 0.30213782488236 0.95692810039986 138.905 > 113 115 La 0.26334716978436 0.80213782488236 0.95692810039986 138.905 > 113 116 La 0.76334716978436 0.80213782488236 0.95692810039986 138.905 > 113 117 La 0.01334716978436 0.44786217511764 0.04307189960014 138.905 > 117 118 La 0.51334716978436 0.44786217511764 0.04307189960014 138.905 > 117 119 La 0.01334716978436 0.94786217511764 0.04307189960014 138.905 > 117 120 La 0.51334716978436 0.94786217511764 0.04307189960014 138.905 > 117 121 La 0.23665283021564 0.05213782488236 0.54307189960014 138.905 > 121 122 La 0.73665283021564 0.05213782488236 0.54307189960014 138.905 > 121 123 La 0.23665283021564 0.55213782488236 0.54307189960014 138.905 > 121 124 La 0.73665283021564 0.55213782488236 0.54307189960014 138.905 > 121 125 La 0.48665283021564 0.19786217511764 0.45692810039986 138.905 > 125 126 La 0.98665283021564 0.19786217511764 0.45692810039986 138.905 > 125 127 La 0.48665283021564 0.69786217511764 0.45692810039986 138.905 > 125 128 La 0.98665283021564 0.69786217511764 0.45692810039986 138.905 > 125 129 La 0.26483928935946 0.35896805459931 0.35974632462704 138.905 > 129 130 La 0.76483928935946 0.35896805459931 0.35974632462704 138.905 > 129 131 La 0.26483928935946 0.85896805459931 0.35974632462704 138.905 > 129 132 La 0.76483928935946 0.85896805459931 0.35974632462704 138.905 > 129 133 La 0.01483928935946 0.39103194540069 0.64025367537296 138.905 > 133 134 La 0.51483928935946 0.39103194540069 0.64025367537296 138.905 > 133 135 La 0.01483928935946 0.89103194540069 0.64025367537296 138.905 > 133 136 La 0.51483928935946 0.89103194540069 0.64025367537296 138.905 > 133 137 La 0.23516071064054 0.10896805459931 0.14025367537296 138.905 > 137 138 La 0.73516071064054 0.10896805459931 0.14025367537296 138.905 > 137 139 La 0.23516071064054 0.60896805459931 0.14025367537296 138.905 > 137 140 La 0.73516071064054 0.60896805459931 0.14025367537296 138.905 > 137 141 La 0.48516071064054 0.14103194540069 0.85974632462704 138.905 > 141 142 La 0.98516071064054 0.14103194540069 0.85974632462704 138.905 > 141 143 La 0.48516071064054 0.64103194540069 0.85974632462704 138.905 > 141 144 La 0.98516071064054 0.64103194540069 0.85974632462704 138.905 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2171247 0.0000000 0.0000000 0.0000000 4.1536869 0.0000000 0.0000000 0.0000000 4.1965357 -------------------------- Born effective charges -------------------------- 1 O -2.4209866 -0.6393373 -0.5010638 -0.5788215 -1.9118034 -0.4139011 -0.2674061 -0.3911470 -2.4143526 2 O -2.4209866 0.6393373 0.5010638 0.5788215 -1.9118034 -0.4139011 0.2674061 -0.3911470 -2.4143526 3 O -2.4209866 0.6393373 -0.5010638 0.5788215 -1.9118034 0.4139011 -0.2674061 0.3911470 -2.4143526 4 O -2.4209866 -0.6393373 0.5010638 -0.5788215 -1.9118034 0.4139011 0.2674061 0.3911470 -2.4143526 5 O -2.4656423 -0.5282807 0.0607471 -0.5833506 -2.3198847 0.1522054 0.0794623 0.2305613 -2.0344177 6 O -2.4656423 0.5282807 -0.0607471 0.5833506 -2.3198847 0.1522054 -0.0794623 0.2305613 -2.0344177 7 O -2.4656423 0.5282807 0.0607471 0.5833506 -2.3198847 -0.1522054 0.0794623 -0.2305613 -2.0344177 8 O -2.4656423 -0.5282807 -0.0607471 -0.5833506 -2.3198847 -0.1522054 -0.0794623 -0.2305613 -2.0344177 9 O -1.9000756 -0.6501465 -0.4400361 -0.7586423 -1.9907420 0.0810910 -0.5131479 0.0816910 -2.5921744 10 O -1.9000756 0.6501465 0.4400361 0.7586423 -1.9907420 0.0810910 0.5131479 0.0816910 -2.5921744 11 O -1.9000756 0.6501465 -0.4400361 0.7586423 -1.9907420 -0.0810910 -0.5131479 -0.0816910 -2.5921744 12 O -1.9000756 -0.6501465 0.4400361 -0.7586423 -1.9907420 -0.0810910 0.5131479 -0.0816910 -2.5921744 13 O -2.1308499 0.7157343 -0.4436270 0.7544780 -1.9497121 0.0560332 -0.6146846 0.1134136 -2.5786461 14 O -2.1308499 -0.7157343 0.4436270 -0.7544780 -1.9497121 0.0560332 0.6146846 0.1134136 -2.5786461 15 O -2.1308499 -0.7157343 -0.4436270 -0.7544780 -1.9497121 -0.0560332 -0.6146846 -0.1134136 -2.5786461 16 O -2.1308499 0.7157343 0.4436270 0.7544780 -1.9497121 -0.0560332 0.6146846 -0.1134136 -2.5786461 17 O -2.4114623 -0.1946431 -0.1118034 -0.2417846 -2.3342859 0.1753212 -0.1020301 0.1553603 -2.1561696 18 O -2.4114623 0.1946431 0.1118034 0.2417846 -2.3342859 0.1753212 0.1020301 0.1553603 -2.1561696 19 O -2.4114623 0.1946431 -0.1118034 0.2417846 -2.3342859 -0.1753212 -0.1020301 -0.1553603 -2.1561696 20 O -2.4114623 -0.1946431 0.1118034 -0.2417846 -2.3342859 -0.1753212 0.1020301 -0.1553603 -2.1561696 21 O -2.4622878 0.1095415 -0.5858621 0.0872314 -2.7578454 -0.3195102 -0.6190134 -0.2998014 -1.6076904 22 O -2.4622878 -0.1095415 0.5858621 -0.0872314 -2.7578454 -0.3195102 0.6190134 -0.2998014 -1.6076904 23 O -2.4622878 -0.1095415 -0.5858621 -0.0872314 -2.7578454 0.3195102 -0.6190134 0.2998014 -1.6076904 24 O -2.4622878 0.1095415 0.5858621 0.0872314 -2.7578454 0.3195102 0.6190134 0.2998014 -1.6076904 25 Te 5.1982989 0.0830342 -0.2083127 0.0933311 4.9511127 0.0413878 -0.0118193 -0.1690600 5.0921842 26 Te 5.1982989 -0.0830342 0.2083127 -0.0933311 4.9511127 0.0413878 0.0118193 -0.1690600 5.0921842 27 Te 5.1982989 -0.0830342 -0.2083127 -0.0933311 4.9511127 -0.0413878 -0.0118193 0.1690600 5.0921842 28 Te 5.1982989 0.0830342 0.2083127 0.0933311 4.9511127 -0.0413878 0.0118193 0.1690600 5.0921842 29 La 4.0444597 0.0958130 0.0651125 0.0507394 4.0433246 0.1021616 0.2784664 -0.0910217 4.1475186 30 La 4.0444597 -0.0958130 -0.0651125 -0.0507394 4.0433246 0.1021616 -0.2784664 -0.0910217 4.1475186 31 La 4.0444597 -0.0958130 0.0651125 -0.0507394 4.0433246 -0.1021616 0.2784664 0.0910217 4.1475186 32 La 4.0444597 0.0958130 -0.0651125 0.0507394 4.0433246 -0.1021616 -0.2784664 0.0910217 4.1475186 33 La 4.5485459 0.0407004 -0.1369294 0.1961209 4.2698361 0.1922300 -0.2899267 0.2402300 4.1437480 34 La 4.5485459 -0.0407004 0.1369294 -0.1961209 4.2698361 0.1922300 0.2899267 0.2402300 4.1437480 35 La 4.5485459 -0.0407004 -0.1369294 -0.1961209 4.2698361 -0.1922300 -0.2899267 -0.2402300 4.1437480 36 La 4.5485459 0.0407004 0.1369294 0.1961209 4.2698361 -0.1922300 0.2899267 -0.2402300 4.1437480 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 9 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 45 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 1.868 ( 0.000 0.000 0.000) 0.000 2.054 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.709 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.899 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.099 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.551 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.637 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.200 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.075 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 8.833 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 8.989 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.975 ( 0.000 0.000 0.000) 0.000 10.069 ( 0.000 0.000 0.000) 0.000 10.505 ( 0.000 0.000 0.000) 0.000 10.578 ( 0.000 0.000 0.000) 0.000 10.876 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 11.106 ( 0.000 0.000 0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 11.660 ( 0.000 0.000 0.000) 0.000 11.905 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.613 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 13.036 ( 0.000 0.000 0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 13.373 ( 0.000 0.000 0.000) 0.000 13.464 ( 0.000 0.000 0.000) 0.000 14.085 ( 0.000 0.000 0.000) 0.000 14.114 ( 0.000 0.000 0.000) 0.000 14.552 ( 0.000 0.000 0.000) 0.000 14.641 ( 0.000 0.000 0.000) 0.000 15.261 ( 0.000 0.000 0.000) 0.000 15.279 ( 0.000 0.000 0.000) 0.000 15.500 ( 0.000 0.000 0.000) 0.000 15.538 ( 0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 0.000) 0.000 16.342 ( 0.000 0.000 0.000) 0.000 16.493 ( 0.000 0.000 0.000) 0.000 16.524 ( 0.000 0.000 0.000) 0.000 17.021 ( 0.000 0.000 0.000) 0.000 17.050 ( 0.000 0.000 0.000) 0.000 17.417 ( 0.000 0.000 0.000) 0.000 17.759 ( 0.000 0.000 0.000) 0.000 17.893 ( 0.000 0.000 0.000) 0.000 17.951 ( 0.000 0.000 0.000) 0.000 18.124 ( 0.000 0.000 0.000) 0.000 18.331 ( 0.000 0.000 0.000) 0.000 18.358 ( 0.000 0.000 0.000) 0.000 18.797 ( 0.000 0.000 0.000) 0.000 19.042 ( 0.000 0.000 0.000) 0.000 19.100 ( 0.000 0.000 0.000) 0.000 19.157 ( 0.000 0.000 0.000) 0.000 19.879 ( 0.000 0.000 0.000) 0.000 20.222 ( 0.000 0.000 0.000) 0.000 20.506 ( 0.000 0.000 0.000) 0.000 20.567 ( 0.000 0.000 0.000) 0.000 20.734 ( 0.000 0.000 0.000) 0.000 21.228 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 28.317 0.000 0.000) 28.317 0.626 ( 30.367 0.000 0.000) 30.367 1.106 ( 52.771 0.000 0.000) 52.771 1.910 ( 4.061 0.000 0.000) 4.061 2.124 ( 6.194 0.000 0.000) 6.194 2.348 ( -1.059 0.000 0.000) 1.059 2.547 ( 3.375 0.000 0.000) 3.375 2.638 ( 7.364 0.000 0.000) 7.364 2.785 ( 2.928 0.000 0.000) 2.928 2.826 ( -11.270 0.000 0.000) 11.270 2.921 ( 0.875 0.000 0.000) 0.875 3.049 ( -0.097 0.000 0.000) 0.097 3.135 ( -0.642 0.000 0.000) 0.642 3.189 ( 1.815 0.000 0.000) 1.815 3.285 ( -0.640 0.000 0.000) 0.640 3.447 ( -1.505 0.000 0.000) 1.505 3.448 ( -12.230 0.000 0.000) 12.230 3.594 ( -2.259 0.000 0.000) 2.259 3.679 ( -5.578 0.000 0.000) 5.578 3.810 ( 4.453 0.000 0.000) 4.453 3.864 ( 0.964 0.000 0.000) 0.964 4.066 ( -6.471 0.000 0.000) 6.471 4.080 ( -3.523 0.000 0.000) 3.523 4.217 ( -0.132 0.000 0.000) 0.132 4.247 ( 3.436 0.000 0.000) 3.436 4.474 ( 4.742 0.000 0.000) 4.742 4.494 ( -4.790 0.000 0.000) 4.790 4.813 ( -2.202 0.000 0.000) 2.202 4.876 ( -1.979 0.000 0.000) 1.979 4.973 ( 0.025 0.000 0.000) 0.025 5.032 ( -8.735 0.000 0.000) 8.735 5.081 ( -1.650 0.000 0.000) 1.650 5.199 ( 7.620 0.000 0.000) 7.620 5.223 ( -1.282 0.000 0.000) 1.282 5.365 ( 3.435 0.000 0.000) 3.435 5.495 ( 1.923 0.000 0.000) 1.923 5.544 ( -1.583 0.000 0.000) 1.583 5.569 ( 3.593 0.000 0.000) 3.593 5.574 ( 0.586 0.000 0.000) 0.586 6.252 ( -4.508 0.000 0.000) 4.508 6.593 ( -2.693 0.000 0.000) 2.693 6.632 ( 1.175 0.000 0.000) 1.175 6.731 ( 1.497 0.000 0.000) 1.497 6.848 ( -5.152 0.000 0.000) 5.152 7.040 ( -5.557 0.000 0.000) 5.557 7.040 ( -0.294 0.000 0.000) 0.294 7.428 ( -0.736 0.000 0.000) 0.736 7.505 ( 9.041 0.000 0.000) 9.041 7.976 ( -2.763 0.000 0.000) 2.763 8.040 ( -3.073 0.000 0.000) 3.073 8.382 ( 0.448 0.000 0.000) 0.448 8.503 ( -0.437 0.000 0.000) 0.437 8.704 ( -2.283 0.000 0.000) 2.283 8.767 ( -5.248 0.000 0.000) 5.248 8.934 ( 2.006 0.000 0.000) 2.006 8.969 ( -5.215 0.000 0.000) 5.215 9.030 ( 3.707 0.000 0.000) 3.707 9.127 ( 0.488 0.000 0.000) 0.488 9.332 ( 4.373 0.000 0.000) 4.373 9.432 ( -1.648 0.000 0.000) 1.648 10.045 ( 5.714 0.000 0.000) 5.714 10.107 ( 3.182 0.000 0.000) 3.182 10.622 ( 4.002 0.000 0.000) 4.002 10.910 ( 0.406 0.000 0.000) 0.406 10.947 ( 7.011 0.000 0.000) 7.011 11.046 ( 7.579 0.000 0.000) 7.579 11.354 ( 1.444 0.000 0.000) 1.444 11.671 ( 1.230 0.000 0.000) 1.230 11.731 ( 1.575 0.000 0.000) 1.575 11.897 ( -0.625 0.000 0.000) 0.625 12.580 ( -2.924 0.000 0.000) 2.924 12.740 ( -2.727 0.000 0.000) 2.727 12.843 ( 0.171 0.000 0.000) 0.171 13.022 ( -1.400 0.000 0.000) 1.400 13.118 ( -1.900 0.000 0.000) 1.900 13.405 ( -5.484 0.000 0.000) 5.484 14.007 ( -9.485 0.000 0.000) 9.485 14.071 ( -1.477 0.000 0.000) 1.477 14.104 ( -6.529 0.000 0.000) 6.529 14.639 ( 4.614 0.000 0.000) 4.614 14.876 ( -4.741 0.000 0.000) 4.741 15.263 ( -1.911 0.000 0.000) 1.911 15.293 ( 0.356 0.000 0.000) 0.356 15.665 ( 1.666 0.000 0.000) 1.666 15.674 ( 13.285 0.000 0.000) 13.285 16.207 ( 0.582 0.000 0.000) 0.582 16.288 ( -2.530 0.000 0.000) 2.530 16.499 ( -0.088 0.000 0.000) 0.088 16.545 ( -0.015 0.000 0.000) 0.015 17.066 ( 4.830 0.000 0.000) 4.830 17.164 ( 8.216 0.000 0.000) 8.216 17.507 ( 7.958 0.000 0.000) 7.958 17.735 ( -2.257 0.000 0.000) 2.257 17.841 ( -3.650 0.000 0.000) 3.650 18.124 ( -3.751 0.000 0.000) 3.751 18.352 ( -0.596 0.000 0.000) 0.596 18.353 ( 2.136 0.000 0.000) 2.136 18.811 ( 1.945 0.000 0.000) 1.945 18.947 ( -8.995 0.000 0.000) 8.995 19.012 ( 2.140 0.000 0.000) 2.140 19.368 ( 11.375 0.000 0.000) 11.375 19.888 ( 0.550 0.000 0.000) 0.550 20.108 ( -5.073 0.000 0.000) 5.073 20.491 ( -1.368 0.000 0.000) 1.368 20.516 ( -2.918 0.000 0.000) 2.918 20.570 ( 0.022 0.000 0.000) 0.022 20.734 ( -0.100 0.000 0.000) 0.100 21.259 ( -6.610 0.000 0.000) 6.610 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 25.397 0.000 0.000) 25.397 1.217 ( 27.944 0.000 0.000) 27.944 1.954 ( 14.792 0.000 0.000) 14.792 2.090 ( 15.195 0.000 0.000) 15.195 2.267 ( 7.149 0.000 0.000) 7.149 2.310 ( 8.280 0.000 0.000) 8.280 2.607 ( 2.268 0.000 0.000) 2.268 2.624 ( -6.460 0.000 0.000) 6.460 2.718 ( -0.075 0.000 0.000) 0.075 2.921 ( -1.219 0.000 0.000) 1.219 2.926 ( 7.100 0.000 0.000) 7.100 3.011 ( -3.040 0.000 0.000) 3.040 3.067 ( -8.248 0.000 0.000) 8.248 3.193 ( -6.138 0.000 0.000) 6.138 3.226 ( -4.502 0.000 0.000) 4.502 3.257 ( 1.647 0.000 0.000) 1.647 3.444 ( 2.516 0.000 0.000) 2.516 3.536 ( -3.654 0.000 0.000) 3.654 3.603 ( -0.916 0.000 0.000) 0.916 3.804 ( -7.106 0.000 0.000) 7.106 3.886 ( -0.781 0.000 0.000) 0.781 3.910 ( -3.901 0.000 0.000) 3.901 4.068 ( 2.217 0.000 0.000) 2.217 4.210 ( -0.253 0.000 0.000) 0.253 4.304 ( 1.295 0.000 0.000) 1.295 4.368 ( -6.166 0.000 0.000) 6.166 4.542 ( 0.129 0.000 0.000) 0.129 4.764 ( -2.033 0.000 0.000) 2.033 4.842 ( -1.171 0.000 0.000) 1.171 4.879 ( -4.911 0.000 0.000) 4.911 4.984 ( 0.588 0.000 0.000) 0.588 5.050 ( -1.460 0.000 0.000) 1.460 5.201 ( -0.121 0.000 0.000) 0.121 5.336 ( 4.684 0.000 0.000) 4.684 5.431 ( 1.652 0.000 0.000) 1.652 5.494 ( -2.298 0.000 0.000) 2.298 5.557 ( 4.705 0.000 0.000) 4.705 5.615 ( 0.935 0.000 0.000) 0.935 5.618 ( 3.773 0.000 0.000) 3.773 6.107 ( -9.200 0.000 0.000) 9.200 6.580 ( 1.621 0.000 0.000) 1.621 6.640 ( -1.664 0.000 0.000) 1.664 6.759 ( -0.299 0.000 0.000) 0.299 6.759 ( 1.292 0.000 0.000) 1.292 6.993 ( -1.038 0.000 0.000) 1.038 7.034 ( -0.355 0.000 0.000) 0.355 7.382 ( -4.016 0.000 0.000) 4.016 7.603 ( 0.249 0.000 0.000) 0.249 7.906 ( -3.934 0.000 0.000) 3.934 7.969 ( -3.659 0.000 0.000) 3.659 8.375 ( -1.775 0.000 0.000) 1.775 8.442 ( -5.809 0.000 0.000) 5.809 8.664 ( -0.751 0.000 0.000) 0.751 8.693 ( -1.423 0.000 0.000) 1.423 8.879 ( -3.137 0.000 0.000) 3.137 9.004 ( 4.854 0.000 0.000) 4.854 9.086 ( 1.662 0.000 0.000) 1.662 9.145 ( 1.317 0.000 0.000) 1.317 9.402 ( -1.400 0.000 0.000) 1.400 9.410 ( 3.000 0.000 0.000) 3.000 10.157 ( 4.684 0.000 0.000) 4.684 10.172 ( 2.807 0.000 0.000) 2.807 10.714 ( 4.421 0.000 0.000) 4.421 10.929 ( 0.932 0.000 0.000) 0.932 11.144 ( 11.595 0.000 0.000) 11.595 11.226 ( 9.676 0.000 0.000) 9.676 11.423 ( 5.931 0.000 0.000) 5.931 11.713 ( 2.768 0.000 0.000) 2.768 11.775 ( 2.874 0.000 0.000) 2.874 11.891 ( 0.280 0.000 0.000) 0.280 12.514 ( -3.252 0.000 0.000) 3.252 12.662 ( -4.854 0.000 0.000) 4.854 12.841 ( -0.425 0.000 0.000) 0.425 12.978 ( -3.004 0.000 0.000) 3.004 13.043 ( -6.032 0.000 0.000) 6.032 13.267 ( -7.624 0.000 0.000) 7.624 13.790 ( -9.754 0.000 0.000) 9.754 13.976 ( -5.989 0.000 0.000) 5.989 14.045 ( -1.012 0.000 0.000) 1.012 14.567 ( -10.180 0.000 0.000) 10.180 14.896 ( 5.440 0.000 0.000) 5.440 15.203 ( -3.474 0.000 0.000) 3.474 15.351 ( 4.874 0.000 0.000) 4.874 15.729 ( 3.979 0.000 0.000) 3.979 15.969 ( 15.055 0.000 0.000) 15.055 16.227 ( 1.720 0.000 0.000) 1.720 16.271 ( -0.391 0.000 0.000) 0.391 16.515 ( 2.965 0.000 0.000) 2.965 16.582 ( 3.966 0.000 0.000) 3.966 17.191 ( 6.701 0.000 0.000) 6.701 17.314 ( 6.152 0.000 0.000) 6.152 17.654 ( -0.955 0.000 0.000) 0.955 17.706 ( 5.930 0.000 0.000) 5.930 17.772 ( -3.050 0.000 0.000) 3.050 17.935 ( -13.138 0.000 0.000) 13.138 18.330 ( -2.072 0.000 0.000) 2.072 18.385 ( 1.039 0.000 0.000) 1.039 18.709 ( -13.432 0.000 0.000) 13.432 18.907 ( 6.841 0.000 0.000) 6.841 19.211 ( 15.863 0.000 0.000) 15.863 19.572 ( 8.620 0.000 0.000) 8.620 19.863 ( -4.586 0.000 0.000) 4.586 20.000 ( -4.006 0.000 0.000) 4.006 20.430 ( -5.618 0.000 0.000) 5.618 20.459 ( -1.680 0.000 0.000) 1.680 20.560 ( -1.055 0.000 0.000) 1.055 20.727 ( -0.677 0.000 0.000) 0.677 21.088 ( -9.522 0.000 0.000) 9.522 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 15.778 0.000 0.000) 15.778 1.747 ( 24.314 0.000 0.000) 24.314 1.906 ( -14.612 0.000 0.000) 14.612 2.130 ( 7.976 0.000 0.000) 7.976 2.382 ( 3.740 0.000 0.000) 3.740 2.535 ( -2.180 0.000 0.000) 2.180 2.629 ( -7.916 0.000 0.000) 7.916 2.656 ( -2.208 0.000 0.000) 2.208 2.679 ( 2.314 0.000 0.000) 2.314 2.735 ( -9.255 0.000 0.000) 9.255 2.915 ( -3.568 0.000 0.000) 3.568 2.947 ( -3.697 0.000 0.000) 3.697 3.117 ( 1.955 0.000 0.000) 1.955 3.211 ( 9.913 0.000 0.000) 9.913 3.252 ( 4.974 0.000 0.000) 4.974 3.256 ( 5.893 0.000 0.000) 5.893 3.425 ( -6.260 0.000 0.000) 6.260 3.551 ( 4.990 0.000 0.000) 4.990 3.607 ( -4.943 0.000 0.000) 4.943 3.663 ( 2.287 0.000 0.000) 2.287 3.796 ( -1.132 0.000 0.000) 1.132 3.950 ( 1.154 0.000 0.000) 1.154 4.136 ( 4.692 0.000 0.000) 4.692 4.186 ( -7.767 0.000 0.000) 7.767 4.206 ( -1.260 0.000 0.000) 1.260 4.386 ( 3.652 0.000 0.000) 3.652 4.486 ( -2.987 0.000 0.000) 2.987 4.717 ( -3.085 0.000 0.000) 3.085 4.819 ( -1.445 0.000 0.000) 1.445 4.848 ( -0.346 0.000 0.000) 0.346 4.995 ( 0.751 0.000 0.000) 0.751 5.019 ( -1.123 0.000 0.000) 1.123 5.212 ( 0.070 0.000 0.000) 0.070 5.359 ( -2.084 0.000 0.000) 2.084 5.443 ( 1.372 0.000 0.000) 1.372 5.480 ( 0.994 0.000 0.000) 0.994 5.615 ( -0.480 0.000 0.000) 0.480 5.672 ( 5.656 0.000 0.000) 5.656 5.710 ( 4.102 0.000 0.000) 4.102 5.916 ( -8.983 0.000 0.000) 8.983 6.610 ( -0.008 0.000 0.000) 0.008 6.641 ( 3.723 0.000 0.000) 3.723 6.791 ( 2.054 0.000 0.000) 2.054 6.814 ( 3.927 0.000 0.000) 3.927 6.964 ( -1.796 0.000 0.000) 1.796 7.019 ( -1.270 0.000 0.000) 1.270 7.281 ( -5.130 0.000 0.000) 5.130 7.525 ( -7.260 0.000 0.000) 7.260 7.831 ( -2.959 0.000 0.000) 2.959 7.897 ( -3.393 0.000 0.000) 3.393 8.305 ( -4.565 0.000 0.000) 4.565 8.310 ( -6.283 0.000 0.000) 6.283 8.684 ( 1.873 0.000 0.000) 1.873 8.686 ( 0.226 0.000 0.000) 0.226 8.854 ( 1.007 0.000 0.000) 1.007 9.090 ( -1.375 0.000 0.000) 1.375 9.129 ( 7.192 0.000 0.000) 7.192 9.182 ( 2.378 0.000 0.000) 2.378 9.365 ( -2.400 0.000 0.000) 2.400 9.441 ( -0.226 0.000 0.000) 0.226 10.214 ( 1.459 0.000 0.000) 1.459 10.224 ( 1.961 0.000 0.000) 1.961 10.789 ( 3.124 0.000 0.000) 3.124 10.931 ( -0.824 0.000 0.000) 0.824 11.368 ( 9.633 0.000 0.000) 9.633 11.412 ( 8.118 0.000 0.000) 8.118 11.589 ( 9.508 0.000 0.000) 9.508 11.769 ( 2.479 0.000 0.000) 2.479 11.848 ( 4.105 0.000 0.000) 4.105 11.914 ( 1.968 0.000 0.000) 1.968 12.459 ( -2.020 0.000 0.000) 2.020 12.555 ( -5.360 0.000 0.000) 5.360 12.833 ( 0.039 0.000 0.000) 0.039 12.886 ( -8.141 0.000 0.000) 8.141 12.902 ( -4.402 0.000 0.000) 4.402 13.112 ( -7.642 0.000 0.000) 7.642 13.674 ( -1.669 0.000 0.000) 1.669 13.864 ( -5.090 0.000 0.000) 5.090 14.033 ( 0.018 0.000 0.000) 0.018 14.341 ( -11.018 0.000 0.000) 11.018 15.001 ( 4.318 0.000 0.000) 4.318 15.142 ( -2.450 0.000 0.000) 2.450 15.474 ( 6.970 0.000 0.000) 6.970 15.790 ( 1.196 0.000 0.000) 1.196 16.200 ( 4.594 0.000 0.000) 4.594 16.240 ( -1.984 0.000 0.000) 1.984 16.334 ( 11.236 0.000 0.000) 11.236 16.622 ( 6.053 0.000 0.000) 6.053 16.703 ( 7.836 0.000 0.000) 7.836 17.283 ( -0.296 0.000 0.000) 0.296 17.414 ( 4.144 0.000 0.000) 4.144 17.579 ( -3.875 0.000 0.000) 3.875 17.687 ( -7.162 0.000 0.000) 7.162 17.738 ( -0.655 0.000 0.000) 0.655 17.842 ( 4.706 0.000 0.000) 4.706 18.213 ( -11.145 0.000 0.000) 11.145 18.405 ( 0.964 0.000 0.000) 0.964 18.487 ( -6.227 0.000 0.000) 6.227 19.065 ( 8.710 0.000 0.000) 8.710 19.569 ( 17.891 0.000 0.000) 17.891 19.697 ( -10.430 0.000 0.000) 10.430 19.719 ( 6.164 0.000 0.000) 6.164 19.954 ( -1.834 0.000 0.000) 1.834 20.294 ( -7.602 0.000 0.000) 7.602 20.433 ( -0.628 0.000 0.000) 0.628 20.532 ( -1.569 0.000 0.000) 1.569 20.709 ( -0.903 0.000 0.000) 0.903 20.899 ( -8.791 0.000 0.000) 8.791 ======================= Grid point 4 (5/45) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -4.371 0.000 0.000) 4.371 1.701 ( -0.947 0.000 0.000) 0.947 2.174 ( 16.512 0.000 0.000) 16.512 2.289 ( 5.569 0.000 0.000) 5.569 2.417 ( 0.659 0.000 0.000) 0.659 2.482 ( -2.041 0.000 0.000) 2.041 2.490 ( -0.139 0.000 0.000) 0.139 2.517 ( -7.715 0.000 0.000) 7.715 2.634 ( -2.732 0.000 0.000) 2.732 2.732 ( -10.431 0.000 0.000) 10.431 2.794 ( 6.181 0.000 0.000) 6.181 2.886 ( -3.250 0.000 0.000) 3.250 3.098 ( -0.623 0.000 0.000) 0.623 3.157 ( -4.839 0.000 0.000) 4.839 3.313 ( 2.089 0.000 0.000) 2.089 3.411 ( -7.732 0.000 0.000) 7.732 3.413 ( 3.914 0.000 0.000) 3.914 3.461 ( 1.111 0.000 0.000) 1.111 3.752 ( 6.033 0.000 0.000) 6.033 3.803 ( 0.103 0.000 0.000) 0.103 3.820 ( 10.585 0.000 0.000) 10.585 3.939 ( -2.291 0.000 0.000) 2.291 4.078 ( -1.840 0.000 0.000) 1.840 4.126 ( -5.290 0.000 0.000) 5.290 4.304 ( 12.493 0.000 0.000) 12.493 4.469 ( -1.100 0.000 0.000) 1.100 4.471 ( 4.688 0.000 0.000) 4.688 4.616 ( -8.209 0.000 0.000) 8.209 4.783 ( -1.701 0.000 0.000) 1.701 4.791 ( -3.479 0.000 0.000) 3.479 5.015 ( 0.975 0.000 0.000) 0.975 5.020 ( 0.560 0.000 0.000) 0.560 5.213 ( 1.532 0.000 0.000) 1.532 5.283 ( -4.560 0.000 0.000) 4.560 5.511 ( 3.690 0.000 0.000) 3.690 5.516 ( 1.934 0.000 0.000) 1.934 5.608 ( 0.954 0.000 0.000) 0.954 5.700 ( -5.951 0.000 0.000) 5.951 5.767 ( 3.402 0.000 0.000) 3.402 5.806 ( -1.124 0.000 0.000) 1.124 6.641 ( 2.616 0.000 0.000) 2.616 6.683 ( -0.470 0.000 0.000) 0.470 6.844 ( 2.657 0.000 0.000) 2.657 6.870 ( 0.583 0.000 0.000) 0.583 6.946 ( 0.890 0.000 0.000) 0.890 6.984 ( -2.071 0.000 0.000) 2.071 7.230 ( 1.604 0.000 0.000) 1.604 7.350 ( -8.820 0.000 0.000) 8.820 7.804 ( 0.387 0.000 0.000) 0.387 7.837 ( -2.458 0.000 0.000) 2.458 8.216 ( -2.380 0.000 0.000) 2.380 8.223 ( -2.790 0.000 0.000) 2.790 8.696 ( 0.617 0.000 0.000) 0.617 8.704 ( 0.024 0.000 0.000) 0.024 8.922 ( 5.111 0.000 0.000) 5.111 9.027 ( -4.623 0.000 0.000) 4.623 9.239 ( 3.140 0.000 0.000) 3.140 9.274 ( 5.576 0.000 0.000) 5.576 9.311 ( -1.740 0.000 0.000) 1.740 9.397 ( -4.072 0.000 0.000) 4.072 10.235 ( 0.681 0.000 0.000) 0.681 10.242 ( 0.088 0.000 0.000) 0.088 10.847 ( 2.749 0.000 0.000) 2.749 10.899 ( -2.239 0.000 0.000) 2.239 11.510 ( 4.076 0.000 0.000) 4.076 11.526 ( 2.576 0.000 0.000) 2.576 11.753 ( 5.728 0.000 0.000) 5.728 11.804 ( 0.414 0.000 0.000) 0.414 11.922 ( 2.829 0.000 0.000) 2.829 11.949 ( 0.548 0.000 0.000) 0.548 12.433 ( -0.309 0.000 0.000) 0.309 12.463 ( -3.297 0.000 0.000) 3.297 12.778 ( -1.488 0.000 0.000) 1.488 12.813 ( -3.903 0.000 0.000) 3.903 12.862 ( 3.116 0.000 0.000) 3.116 12.964 ( -6.660 0.000 0.000) 6.660 13.695 ( 3.000 0.000 0.000) 3.000 13.771 ( -4.180 0.000 0.000) 4.180 14.055 ( 2.518 0.000 0.000) 2.518 14.152 ( -7.257 0.000 0.000) 7.257 15.067 ( 2.282 0.000 0.000) 2.282 15.103 ( -1.591 0.000 0.000) 1.591 15.623 ( 7.442 0.000 0.000) 7.442 15.753 ( -4.761 0.000 0.000) 4.761 16.222 ( 0.312 0.000 0.000) 0.312 16.232 ( -0.015 0.000 0.000) 0.015 16.569 ( 9.838 0.000 0.000) 9.838 16.685 ( -1.058 0.000 0.000) 1.058 16.892 ( 10.738 0.000 0.000) 10.738 17.128 ( -11.910 0.000 0.000) 11.910 17.489 ( 2.147 0.000 0.000) 2.147 17.519 ( -1.925 0.000 0.000) 1.925 17.691 ( 7.310 0.000 0.000) 7.310 17.794 ( 5.013 0.000 0.000) 5.013 17.869 ( -2.446 0.000 0.000) 2.446 17.934 ( -13.829 0.000 0.000) 13.829 18.421 ( 0.539 0.000 0.000) 0.539 18.432 ( -0.884 0.000 0.000) 0.884 19.257 ( 10.235 0.000 0.000) 10.235 19.475 ( -11.178 0.000 0.000) 11.178 19.817 ( 4.993 0.000 0.000) 4.993 19.902 ( -3.439 0.000 0.000) 3.439 19.904 ( 13.406 0.000 0.000) 13.406 20.128 ( -9.090 0.000 0.000) 9.090 20.443 ( 1.761 0.000 0.000) 1.761 20.493 ( -2.511 0.000 0.000) 2.511 20.701 ( 0.535 0.000 0.000) 0.535 20.753 ( -5.058 0.000 0.000) 5.058 ======================= Grid point 9 (6/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 24.498 0.000) 24.498 0.648 ( 0.000 29.911 0.000) 29.911 1.079 ( 0.000 48.522 0.000) 48.522 1.760 ( 0.000 -9.773 0.000) 9.773 2.122 ( 0.000 6.624 0.000) 6.624 2.275 ( 0.000 -18.062 0.000) 18.062 2.404 ( 0.000 4.349 0.000) 4.349 2.515 ( 0.000 -2.270 0.000) 2.270 2.741 ( 0.000 -5.657 0.000) 5.657 2.934 ( 0.000 3.954 0.000) 3.954 2.979 ( 0.000 -1.327 0.000) 1.327 3.016 ( 0.000 -8.891 0.000) 8.891 3.161 ( 0.000 9.450 0.000) 9.450 3.198 ( 0.000 -5.206 0.000) 5.206 3.202 ( 0.000 2.528 0.000) 2.528 3.426 ( 0.000 -4.468 0.000) 4.468 3.585 ( 0.000 -8.113 0.000) 8.113 3.604 ( 0.000 3.674 0.000) 3.674 3.652 ( 0.000 -1.984 0.000) 1.984 3.832 ( 0.000 6.279 0.000) 6.279 3.964 ( 0.000 1.544 0.000) 1.544 4.079 ( 0.000 -5.826 0.000) 5.826 4.175 ( 0.000 -5.848 0.000) 5.848 4.186 ( 0.000 0.700 0.000) 0.700 4.314 ( 0.000 7.592 0.000) 7.592 4.491 ( 0.000 4.935 0.000) 4.935 4.540 ( 0.000 -1.354 0.000) 1.354 4.796 ( 0.000 -9.980 0.000) 9.980 4.811 ( 0.000 -7.057 0.000) 7.057 4.950 ( 0.000 1.911 0.000) 1.911 4.965 ( 0.000 0.444 0.000) 0.444 5.040 ( 0.000 1.128 0.000) 1.128 5.297 ( 0.000 2.134 0.000) 2.134 5.307 ( 0.000 6.176 0.000) 6.176 5.366 ( 0.000 1.265 0.000) 1.265 5.444 ( 0.000 -3.069 0.000) 3.069 5.496 ( 0.000 -4.681 0.000) 4.681 5.612 ( 0.000 7.917 0.000) 7.917 5.874 ( 0.000 -2.661 0.000) 2.661 5.908 ( 0.000 1.062 0.000) 1.062 6.640 ( 0.000 1.250 0.000) 1.250 6.656 ( 0.000 1.704 0.000) 1.704 6.699 ( 0.000 0.168 0.000) 0.168 6.990 ( 0.000 -5.446 0.000) 5.446 7.138 ( 0.000 -0.619 0.000) 0.619 7.169 ( 0.000 -0.824 0.000) 0.824 7.218 ( 0.000 -1.947 0.000) 1.947 7.311 ( 0.000 -1.296 0.000) 1.296 7.938 ( 0.000 -0.485 0.000) 0.485 8.175 ( 0.000 6.053 0.000) 6.053 8.327 ( 0.000 -4.701 0.000) 4.701 8.453 ( 0.000 -4.165 0.000) 4.165 8.750 ( 0.000 2.314 0.000) 2.314 8.843 ( 0.000 0.712 0.000) 0.712 8.913 ( 0.000 -2.840 0.000) 2.840 8.949 ( 0.000 -1.707 0.000) 1.707 8.985 ( 0.000 -0.642 0.000) 0.642 9.086 ( 0.000 -3.543 0.000) 3.543 9.308 ( 0.000 2.913 0.000) 2.913 9.450 ( 0.000 -0.580 0.000) 0.580 10.149 ( 0.000 6.588 0.000) 6.588 10.343 ( 0.000 2.669 0.000) 2.669 10.476 ( 0.000 -2.389 0.000) 2.389 10.567 ( 0.000 -1.446 0.000) 1.446 10.973 ( 0.000 3.302 0.000) 3.302 11.098 ( 0.000 -0.636 0.000) 0.636 11.208 ( 0.000 0.962 0.000) 0.962 11.336 ( 0.000 -0.650 0.000) 0.650 11.651 ( 0.000 -0.684 0.000) 0.684 11.817 ( 0.000 -6.453 0.000) 6.453 12.493 ( 0.000 8.799 0.000) 8.799 12.863 ( 0.000 2.161 0.000) 2.161 13.018 ( 0.000 -1.811 0.000) 1.811 13.074 ( 0.000 -4.277 0.000) 4.277 13.392 ( 0.000 1.578 0.000) 1.578 13.467 ( 0.000 0.098 0.000) 0.098 13.959 ( 0.000 -0.207 0.000) 0.207 14.077 ( 0.000 -0.885 0.000) 0.885 14.581 ( 0.000 2.391 0.000) 2.391 14.640 ( 0.000 0.044 0.000) 0.044 14.924 ( 0.000 -1.696 0.000) 1.696 15.109 ( 0.000 -8.913 0.000) 8.913 15.307 ( 0.000 0.761 0.000) 0.761 15.462 ( 0.000 -3.167 0.000) 3.167 15.651 ( 0.000 7.285 0.000) 7.285 15.797 ( 0.000 1.275 0.000) 1.275 16.338 ( 0.000 -0.241 0.000) 0.241 16.456 ( 0.000 -3.761 0.000) 3.761 16.568 ( 0.000 4.097 0.000) 4.097 17.082 ( 0.000 5.500 0.000) 5.500 17.083 ( 0.000 -10.228 0.000) 10.228 17.521 ( 0.000 0.466 0.000) 0.466 17.798 ( 0.000 6.201 0.000) 6.201 17.962 ( 0.000 1.045 0.000) 1.045 18.066 ( 0.000 -1.260 0.000) 1.260 18.112 ( 0.000 -1.127 0.000) 1.127 18.399 ( 0.000 4.038 0.000) 4.038 18.768 ( 0.000 -2.663 0.000) 2.663 18.854 ( 0.000 -5.400 0.000) 5.400 19.040 ( 0.000 -5.438 0.000) 5.438 19.312 ( 0.000 13.580 0.000) 13.580 19.854 ( 0.000 -2.526 0.000) 2.526 20.238 ( 0.000 1.448 0.000) 1.448 20.359 ( 0.000 -1.114 0.000) 1.114 20.513 ( 0.000 0.603 0.000) 0.603 20.562 ( 0.000 -0.454 0.000) 0.454 21.016 ( 0.000 0.363 0.000) 0.363 21.188 ( 0.000 -3.484 0.000) 3.484 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 17.184 15.904 0.000) 23.414 0.806 ( 20.121 18.280 0.000) 27.185 1.540 ( 32.466 28.762 0.000) 43.374 1.802 ( 4.792 -8.353 0.000) 9.630 2.208 ( 6.432 5.805 0.000) 8.664 2.314 ( 2.132 -17.659 0.000) 17.787 2.391 ( 0.020 4.402 0.000) 4.402 2.584 ( 5.400 -2.863 0.000) 6.112 2.756 ( 1.282 -5.528 0.000) 5.674 2.865 ( -7.221 3.404 0.000) 7.983 2.906 ( -0.877 -1.356 0.000) 1.615 3.071 ( 3.034 -4.167 0.000) 5.155 3.158 ( 0.367 7.699 0.000) 7.708 3.171 ( -2.313 -6.950 0.000) 7.325 3.229 ( 1.973 2.644 0.000) 3.299 3.359 ( -5.832 -3.740 0.000) 6.929 3.538 ( -3.206 2.755 0.000) 4.227 3.605 ( -1.296 -3.588 0.000) 3.815 3.643 ( -1.114 0.418 0.000) 1.190 3.794 ( -4.306 3.311 0.000) 5.432 3.955 ( -2.080 -0.198 0.000) 2.089 4.053 ( -2.523 -3.707 0.000) 4.484 4.110 ( -1.176 -5.296 0.000) 5.425 4.187 ( -4.223 7.932 0.000) 8.986 4.262 ( 0.611 2.708 0.000) 2.776 4.506 ( -2.956 0.774 0.000) 3.056 4.543 ( 1.327 1.732 0.000) 2.182 4.777 ( -1.919 -5.853 0.000) 6.159 4.848 ( 3.676 -8.694 0.000) 9.439 4.922 ( -1.141 2.770 0.000) 2.996 4.984 ( -0.434 2.699 0.000) 2.734 5.079 ( 2.690 -2.640 0.000) 3.769 5.171 ( -5.866 3.659 0.000) 6.914 5.334 ( 0.251 4.137 0.000) 4.145 5.393 ( 3.810 2.546 0.000) 4.582 5.439 ( -0.465 -3.190 0.000) 3.223 5.494 ( -0.142 -4.508 0.000) 4.510 5.636 ( 0.789 4.627 0.000) 4.694 5.693 ( -3.597 6.656 0.000) 7.566 6.130 ( 4.029 -7.063 0.000) 8.131 6.584 ( -3.220 0.008 0.000) 3.220 6.678 ( 1.408 3.072 0.000) 3.380 6.726 ( 1.291 -0.246 0.000) 1.315 6.879 ( -8.138 -1.958 0.000) 8.370 7.030 ( -3.797 1.291 0.000) 4.011 7.085 ( -2.847 2.516 0.000) 3.799 7.321 ( 3.273 -6.241 0.000) 7.048 7.455 ( 7.805 -4.729 0.000) 9.126 7.923 ( -1.714 -0.591 0.000) 1.813 8.129 ( -4.035 4.663 0.000) 6.166 8.288 ( -2.573 -5.516 0.000) 6.087 8.449 ( -0.846 -4.634 0.000) 4.710 8.696 ( -2.530 1.212 0.000) 2.805 8.766 ( -4.719 0.236 0.000) 4.724 8.921 ( 1.065 -2.063 0.000) 2.322 8.974 ( -2.627 -0.333 0.000) 2.648 9.005 ( 4.223 -0.785 0.000) 4.295 9.101 ( 1.608 -2.431 0.000) 2.915 9.341 ( 2.560 1.415 0.000) 2.925 9.456 ( 0.048 0.111 0.000) 0.121 10.187 ( 3.023 6.991 0.000) 7.616 10.247 ( 1.284 11.730 0.000) 11.800 10.598 ( 4.205 -2.335 0.000) 4.810 10.767 ( 9.587 -7.286 0.000) 12.041 11.024 ( 4.806 3.116 0.000) 5.728 11.094 ( 4.495 3.211 0.000) 5.524 11.347 ( 2.019 -0.828 0.000) 2.182 11.477 ( 14.591 -11.184 0.000) 18.384 11.664 ( 1.318 -0.896 0.000) 1.594 11.831 ( 1.514 -5.940 0.000) 6.130 12.458 ( -3.099 4.642 0.000) 5.582 12.852 ( -1.242 1.919 0.000) 2.286 12.949 ( -7.491 -1.195 0.000) 7.586 13.040 ( -2.687 -2.874 0.000) 3.934 13.218 ( -8.551 9.061 0.000) 12.459 13.403 ( -5.694 -0.309 0.000) 5.702 13.919 ( -4.772 -1.517 0.000) 5.007 14.057 ( -1.856 -1.350 0.000) 2.295 14.305 ( -14.781 9.035 0.000) 17.324 14.714 ( -0.145 5.753 0.000) 5.754 14.789 ( -1.452 -6.607 0.000) 6.765 15.198 ( -0.816 -6.176 0.000) 6.229 15.280 ( 1.571 0.218 0.000) 1.586 15.560 ( 6.748 -5.034 0.000) 8.419 15.815 ( 8.492 6.323 0.000) 10.588 15.968 ( 10.733 -7.024 0.000) 12.828 16.350 ( 0.173 -0.084 0.000) 0.193 16.474 ( 2.365 -1.632 0.000) 2.873 16.616 ( 2.902 5.246 0.000) 5.995 17.095 ( 2.651 -1.635 0.000) 3.114 17.160 ( 5.120 -0.891 0.000) 5.197 17.498 ( 1.519 -1.943 0.000) 2.466 17.758 ( -2.108 4.547 0.000) 5.012 17.883 ( -4.911 3.017 0.000) 5.764 18.094 ( -3.119 -2.925 0.000) 4.276 18.154 ( 2.243 -8.035 0.000) 8.342 18.441 ( 2.818 4.646 0.000) 5.434 18.773 ( 1.606 -3.089 0.000) 3.482 18.838 ( -0.380 -3.021 0.000) 3.045 19.067 ( 1.937 -1.197 0.000) 2.277 19.418 ( 8.169 6.637 0.000) 10.526 19.864 ( 0.588 -2.539 0.000) 2.607 20.161 ( -5.708 3.354 0.000) 6.620 20.383 ( 0.306 -5.008 0.000) 5.017 20.501 ( -1.123 0.578 0.000) 1.263 20.562 ( -0.185 -0.635 0.000) 0.661 20.892 ( -6.496 6.072 0.000) 8.892 21.182 ( -3.821 -5.247 0.000) 6.491 ======================= Grid point 11 (8/45) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 25.855 1.320 0.000) 25.889 1.258 ( 22.474 10.555 0.000) 24.830 1.893 ( 7.185 -7.734 0.000) 10.557 2.123 ( 11.771 7.068 0.000) 13.730 2.186 ( -6.289 -6.710 0.000) 9.197 2.428 ( 6.514 -9.602 0.000) 11.603 2.500 ( 15.843 7.113 0.000) 17.366 2.600 ( -1.826 0.658 0.000) 1.941 2.746 ( -6.558 0.621 0.000) 6.588 2.866 ( 6.403 -4.701 0.000) 7.943 2.920 ( 2.450 -1.502 0.000) 2.873 3.063 ( -6.521 2.404 0.000) 6.950 3.101 ( -0.548 2.945 0.000) 2.995 3.163 ( -1.571 1.909 0.000) 2.472 3.257 ( 1.442 -1.467 0.000) 2.057 3.296 ( 0.559 2.585 0.000) 2.644 3.486 ( -0.465 3.615 0.000) 3.644 3.532 ( -3.688 1.916 0.000) 4.156 3.626 ( -4.106 -5.887 0.000) 7.177 3.656 ( -6.474 2.696 0.000) 7.013 3.901 ( -1.821 -1.496 0.000) 2.357 4.016 ( -1.735 -1.143 0.000) 2.078 4.112 ( -0.249 -2.510 0.000) 2.523 4.117 ( -0.255 4.973 0.000) 4.980 4.287 ( 0.734 -0.999 0.000) 1.240 4.376 ( -7.494 1.021 0.000) 7.564 4.561 ( -1.021 -0.037 0.000) 1.022 4.763 ( 0.888 -4.481 0.000) 4.568 4.870 ( -3.440 -1.657 0.000) 3.818 4.940 ( 2.872 3.726 0.000) 4.704 4.947 ( -1.748 6.116 0.000) 6.361 5.088 ( 0.618 1.447 0.000) 1.573 5.158 ( 1.854 -1.972 0.000) 2.707 5.338 ( -0.212 -0.271 0.000) 0.344 5.440 ( 0.756 -3.757 0.000) 3.832 5.478 ( 2.186 3.114 0.000) 3.805 5.494 ( 1.615 -4.254 0.000) 4.550 5.624 ( -0.752 0.425 0.000) 0.864 5.675 ( 0.457 4.563 0.000) 4.586 6.082 ( -7.184 -2.629 0.000) 7.650 6.554 ( 0.501 -0.610 0.000) 0.790 6.696 ( -0.705 2.833 0.000) 2.920 6.738 ( 0.946 -1.354 0.000) 1.651 6.781 ( 0.002 0.973 0.000) 0.973 6.990 ( -1.192 0.387 0.000) 1.253 7.063 ( -0.006 2.096 0.000) 2.096 7.329 ( -2.318 -3.876 0.000) 4.517 7.543 ( 0.373 -5.605 0.000) 5.617 7.875 ( -2.716 -0.292 0.000) 2.732 8.031 ( -5.235 3.409 0.000) 6.247 8.239 ( -2.440 -8.597 0.000) 8.937 8.385 ( -5.582 -4.967 0.000) 7.472 8.673 ( 0.393 1.112 0.000) 1.179 8.712 ( -0.449 1.552 0.000) 1.616 8.890 ( -2.128 0.847 0.000) 2.290 8.998 ( 3.809 -2.220 0.000) 4.409 9.084 ( 3.305 0.832 0.000) 3.408 9.137 ( 1.853 -0.822 0.000) 2.027 9.375 ( 0.348 -0.413 0.000) 0.540 9.459 ( 0.255 1.139 0.000) 1.167 10.251 ( 2.872 7.352 0.000) 7.893 10.302 ( 2.545 10.992 0.000) 11.283 10.689 ( 4.213 -2.454 0.000) 4.876 10.875 ( 2.321 -4.506 0.000) 5.068 11.184 ( 10.209 2.661 0.000) 10.550 11.242 ( 8.732 1.404 0.000) 8.845 11.434 ( 7.321 1.207 0.000) 7.420 11.683 ( 6.540 -4.995 0.000) 8.229 11.704 ( 2.639 -1.784 0.000) 3.186 11.886 ( 3.886 -2.805 0.000) 4.793 12.390 ( -3.182 -2.386 0.000) 3.977 12.731 ( -10.663 -0.632 0.000) 10.682 12.849 ( -1.220 0.256 0.000) 1.247 12.979 ( -3.411 -1.893 0.000) 3.901 13.086 ( -6.145 5.641 0.000) 8.341 13.271 ( -6.984 0.073 0.000) 6.984 13.788 ( -6.893 0.937 0.000) 6.957 13.994 ( -5.063 -1.589 0.000) 5.306 14.088 ( -6.063 6.006 0.000) 8.535 14.539 ( -11.590 -3.342 0.000) 12.062 14.898 ( 6.474 0.859 0.000) 6.530 15.162 ( -1.758 -3.669 0.000) 4.068 15.349 ( 4.573 1.150 0.000) 4.716 15.689 ( 5.562 -4.496 0.000) 7.152 16.025 ( 10.830 2.650 0.000) 11.149 16.134 ( 7.831 -0.735 0.000) 7.865 16.380 ( 2.857 1.328 0.000) 3.151 16.485 ( -1.192 2.227 0.000) 2.525 16.685 ( 4.915 6.796 0.000) 8.387 17.184 ( 5.632 -1.816 0.000) 5.918 17.255 ( 3.610 -3.763 0.000) 5.214 17.545 ( 0.856 -8.501 0.000) 8.544 17.748 ( 1.367 3.081 0.000) 3.371 17.798 ( -3.116 2.582 0.000) 4.047 17.958 ( -8.842 0.952 0.000) 8.893 18.151 ( -2.504 -9.971 0.000) 10.281 18.469 ( 0.436 4.064 0.000) 4.088 18.737 ( -6.293 0.381 0.000) 6.304 18.894 ( 5.513 0.621 0.000) 5.548 19.199 ( 11.780 -1.750 0.000) 11.910 19.586 ( 7.907 1.987 0.000) 8.153 19.850 ( -2.772 -1.870 0.000) 3.343 20.050 ( -4.336 4.306 0.000) 6.111 20.351 ( -3.198 -5.100 0.000) 6.020 20.472 ( -1.620 0.906 0.000) 1.857 20.551 ( -0.864 -0.747 0.000) 1.142 20.793 ( -3.898 4.367 0.000) 5.854 21.049 ( -8.350 -3.363 0.000) 9.002 ======================= Grid point 12 (9/45) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 13.462 5.875 0.000) 14.688 1.694 ( 21.453 -2.610 0.000) 21.611 1.906 ( -8.582 -1.579 0.000) 8.726 2.080 ( 6.978 -4.132 0.000) 8.109 2.267 ( 2.982 -3.254 0.000) 4.413 2.517 ( 0.623 -8.799 0.000) 8.821 2.579 ( 0.878 -0.139 0.000) 0.889 2.584 ( -4.848 -3.145 0.000) 5.779 2.741 ( -4.858 2.133 0.000) 5.306 2.793 ( -4.943 4.212 0.000) 6.494 2.921 ( -3.651 0.773 0.000) 3.732 3.012 ( -3.981 2.307 0.000) 4.601 3.094 ( 1.517 -0.932 0.000) 1.781 3.211 ( -3.745 -1.068 0.000) 3.894 3.293 ( 3.559 3.120 0.000) 4.733 3.326 ( 7.453 4.260 0.000) 8.585 3.427 ( -5.070 1.129 0.000) 5.194 3.511 ( 1.277 -2.264 0.000) 2.599 3.594 ( 9.253 1.462 0.000) 9.367 3.656 ( 2.418 3.799 0.000) 4.503 3.852 ( -3.424 -1.569 0.000) 3.767 3.977 ( -2.139 -0.227 0.000) 2.151 4.127 ( 2.859 3.221 0.000) 4.307 4.152 ( 0.020 -2.594 0.000) 2.594 4.217 ( -1.468 -0.633 0.000) 1.599 4.347 ( 1.832 0.194 0.000) 1.842 4.501 ( -4.150 0.878 0.000) 4.242 4.742 ( -5.994 -2.975 0.000) 6.692 4.822 ( 1.826 0.146 0.000) 1.832 4.909 ( -1.740 6.384 0.000) 6.617 5.000 ( 2.034 2.668 0.000) 3.355 5.111 ( 1.169 5.744 0.000) 5.862 5.194 ( 0.850 -1.105 0.000) 1.394 5.306 ( -2.527 -2.878 0.000) 3.830 5.451 ( 1.091 -2.170 0.000) 2.429 5.477 ( -0.736 0.967 0.000) 1.215 5.570 ( 2.974 -6.112 0.000) 6.797 5.617 ( 1.061 -0.652 0.000) 1.245 5.703 ( 1.494 -0.910 0.000) 1.749 5.907 ( -8.703 -1.517 0.000) 8.835 6.591 ( 2.947 0.213 0.000) 2.954 6.713 ( 3.231 3.594 0.000) 4.832 6.766 ( 1.507 -1.198 0.000) 1.925 6.833 ( 3.824 0.934 0.000) 3.937 6.958 ( -2.094 0.208 0.000) 2.104 7.056 ( -1.196 2.769 0.000) 3.016 7.251 ( -4.332 -2.267 0.000) 4.889 7.475 ( -6.397 -4.498 0.000) 7.820 7.829 ( -1.553 0.379 0.000) 1.598 7.930 ( -4.576 2.589 0.000) 5.258 8.184 ( -2.846 -8.323 0.000) 8.796 8.261 ( -5.885 -4.643 0.000) 7.496 8.702 ( 1.854 1.935 0.000) 2.680 8.723 ( 0.975 2.500 0.000) 2.684 8.881 ( 1.486 2.054 0.000) 2.536 9.093 ( 5.263 -3.271 0.000) 6.196 9.113 ( -0.933 1.712 0.000) 1.950 9.194 ( 4.164 1.014 0.000) 4.286 9.354 ( -2.328 -0.844 0.000) 2.477 9.453 ( -1.240 0.231 0.000) 1.261 10.294 ( 1.452 7.208 0.000) 7.353 10.333 ( 0.562 9.183 0.000) 9.200 10.757 ( 2.714 -3.062 0.000) 4.092 10.888 ( -0.688 -4.028 0.000) 4.086 11.387 ( 9.002 1.390 0.000) 9.108 11.415 ( 7.858 0.330 0.000) 7.865 11.622 ( 9.499 2.668 0.000) 9.867 11.760 ( 3.092 -0.514 0.000) 3.135 11.792 ( 4.831 -3.089 0.000) 5.734 11.969 ( 3.628 2.696 0.000) 4.520 12.344 ( -1.201 -7.073 0.000) 7.175 12.515 ( -9.874 -4.857 0.000) 11.004 12.835 ( -0.170 0.541 0.000) 0.567 12.905 ( -3.788 0.398 0.000) 3.809 12.959 ( -5.808 4.953 0.000) 7.633 13.121 ( -7.752 0.496 0.000) 7.768 13.693 ( -1.905 1.941 0.000) 2.720 13.874 ( -5.755 0.088 0.000) 5.755 14.028 ( -1.118 0.467 0.000) 1.212 14.305 ( -10.876 -3.416 0.000) 11.400 15.009 ( 4.409 0.887 0.000) 4.497 15.135 ( -1.004 -0.773 0.000) 1.267 15.458 ( 6.146 -0.396 0.000) 6.159 15.757 ( 0.615 -3.929 0.000) 3.977 16.176 ( 4.875 0.453 0.000) 4.896 16.346 ( 11.060 3.668 0.000) 11.652 16.383 ( -2.139 7.275 0.000) 7.583 16.529 ( 5.646 -4.740 0.000) 7.372 16.819 ( 7.857 6.944 0.000) 10.486 17.253 ( -2.169 -3.122 0.000) 3.801 17.315 ( 4.869 -5.996 0.000) 7.724 17.570 ( 3.313 -3.991 0.000) 5.187 17.700 ( -4.912 0.290 0.000) 4.921 17.761 ( -5.238 3.078 0.000) 6.076 17.846 ( 0.692 0.308 0.000) 0.758 18.045 ( -8.004 -9.189 0.000) 12.186 18.479 ( 0.706 4.229 0.000) 4.287 18.608 ( -5.031 8.167 0.000) 9.592 19.023 ( 7.298 -3.043 0.000) 7.907 19.428 ( 6.385 -9.055 0.000) 11.080 19.727 ( 5.721 0.982 0.000) 5.805 19.781 ( -0.275 2.802 0.000) 2.815 19.998 ( -1.379 4.422 0.000) 4.632 20.263 ( -5.346 -2.447 0.000) 5.880 20.445 ( -0.769 1.084 0.000) 1.329 20.527 ( -1.471 -0.509 0.000) 1.556 20.727 ( -2.551 1.481 0.000) 2.950 20.876 ( -8.144 -1.990 0.000) 8.384 ======================= Grid point 13 (10/45) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -1.938 0.915 0.000) 2.143 1.748 ( -3.960 3.071 0.000) 5.011 2.127 ( 14.715 -4.823 0.000) 15.485 2.225 ( 5.186 -5.317 0.000) 7.427 2.357 ( 6.519 -0.440 0.000) 6.534 2.480 ( -0.191 1.634 0.000) 1.645 2.527 ( -7.103 1.734 0.000) 7.311 2.588 ( -4.235 -0.621 0.000) 4.280 2.669 ( -1.264 6.658 0.000) 6.777 2.687 ( 5.158 -4.992 0.000) 7.178 2.787 ( -6.415 2.102 0.000) 6.751 2.906 ( -10.031 -0.939 0.000) 10.075 3.068 ( -2.440 -2.660 0.000) 3.610 3.084 ( -2.202 -3.250 0.000) 3.925 3.348 ( 3.355 1.804 0.000) 3.809 3.395 ( -0.457 1.206 0.000) 1.290 3.478 ( 3.410 1.608 0.000) 3.770 3.525 ( -1.322 5.199 0.000) 5.365 3.704 ( 4.640 -2.532 0.000) 5.286 3.782 ( -2.965 -2.977 0.000) 4.201 3.828 ( 7.305 1.115 0.000) 7.390 3.923 ( -3.296 -1.996 0.000) 3.853 4.137 ( 2.204 6.117 0.000) 6.502 4.213 ( -2.881 5.056 0.000) 5.819 4.280 ( 9.919 -2.461 0.000) 10.219 4.367 ( 0.447 -4.226 0.000) 4.249 4.465 ( 1.559 -1.385 0.000) 2.085 4.593 ( -8.677 -0.925 0.000) 8.726 4.845 ( 0.268 3.294 0.000) 3.305 4.869 ( -2.038 5.602 0.000) 5.961 5.041 ( 2.805 1.632 0.000) 3.245 5.106 ( -2.658 6.510 0.000) 7.032 5.200 ( 1.697 -0.424 0.000) 1.749 5.253 ( -2.877 -1.293 0.000) 3.154 5.481 ( 1.503 -2.880 0.000) 3.249 5.491 ( 1.332 -2.173 0.000) 2.549 5.584 ( 1.293 -2.439 0.000) 2.760 5.649 ( -2.482 -4.801 0.000) 5.405 5.718 ( 2.108 -2.710 0.000) 3.433 5.778 ( -3.662 -2.887 0.000) 4.663 6.670 ( 4.545 2.422 0.000) 5.151 6.744 ( -1.757 4.260 0.000) 4.608 6.831 ( 4.311 -0.905 0.000) 4.405 6.895 ( -0.793 2.172 0.000) 2.312 6.919 ( 1.871 -1.923 0.000) 2.683 7.004 ( -3.975 2.272 0.000) 4.578 7.215 ( 2.043 -1.626 0.000) 2.611 7.323 ( -7.546 -2.664 0.000) 8.002 7.821 ( 0.763 1.513 0.000) 1.694 7.856 ( -2.686 2.080 0.000) 3.397 8.141 ( -0.840 -6.123 0.000) 6.180 8.165 ( -3.222 -4.741 0.000) 5.732 8.729 ( 0.826 2.807 0.000) 2.926 8.737 ( 0.137 2.807 0.000) 2.810 8.951 ( 5.059 2.281 0.000) 5.549 9.055 ( -4.493 1.983 0.000) 4.911 9.197 ( 4.816 -2.657 0.000) 5.500 9.279 ( -1.130 -0.345 0.000) 1.181 9.305 ( 2.739 -0.457 0.000) 2.777 9.400 ( -4.018 -0.287 0.000) 4.028 10.316 ( 0.844 7.176 0.000) 7.226 10.331 ( -0.581 7.773 0.000) 7.794 10.808 ( 2.482 -3.668 0.000) 4.429 10.857 ( -2.167 -3.955 0.000) 4.510 11.521 ( 3.803 0.969 0.000) 3.924 11.530 ( 2.923 0.481 0.000) 2.962 11.763 ( 4.365 0.199 0.000) 4.370 11.804 ( 0.363 -0.560 0.000) 0.668 11.904 ( 6.103 0.540 0.000) 6.127 11.997 ( -1.793 3.576 0.000) 4.000 12.337 ( 0.343 -8.189 0.000) 8.196 12.370 ( -3.800 -6.471 0.000) 7.504 12.831 ( -0.924 2.748 0.000) 2.899 12.842 ( -1.824 2.305 0.000) 2.939 12.894 ( 0.766 2.863 0.000) 2.964 12.975 ( -6.216 0.850 0.000) 6.274 13.703 ( 2.397 0.803 0.000) 2.528 13.773 ( -4.280 0.061 0.000) 4.281 14.034 ( 1.985 -1.497 0.000) 2.486 14.122 ( -6.830 -2.593 0.000) 7.306 15.077 ( 2.489 1.061 0.000) 2.706 15.114 ( -1.272 0.958 0.000) 1.593 15.591 ( 6.745 -2.598 0.000) 7.228 15.712 ( -4.650 -3.910 0.000) 6.075 16.255 ( 3.201 3.824 0.000) 4.986 16.315 ( -2.963 6.863 0.000) 7.475 16.555 ( 7.329 -0.968 0.000) 7.392 16.616 ( 1.416 -4.324 0.000) 4.550 16.984 ( 8.292 5.918 0.000) 10.188 17.145 ( -7.258 0.673 0.000) 7.289 17.429 ( 6.068 -4.407 0.000) 7.499 17.553 ( -6.126 0.198 0.000) 6.129 17.685 ( 3.817 0.402 0.000) 3.838 17.726 ( 1.931 -4.918 0.000) 5.284 17.826 ( -3.335 -4.706 0.000) 5.768 17.872 ( -6.786 -1.594 0.000) 6.970 18.501 ( 1.518 6.153 0.000) 6.338 18.539 ( -2.319 8.417 0.000) 8.731 19.189 ( 9.019 -5.812 0.000) 10.730 19.373 ( -8.357 -8.462 0.000) 11.892 19.826 ( 4.469 0.795 0.000) 4.539 19.869 ( 2.401 -0.531 0.000) 2.459 20.004 ( 4.185 5.577 0.000) 6.973 20.140 ( -6.892 0.907 0.000) 6.952 20.450 ( 1.369 0.655 0.000) 1.518 20.491 ( -2.172 -0.141 0.000) 2.177 20.697 ( -0.038 -0.283 0.000) 0.285 20.741 ( -4.665 -1.059 0.000) 4.783 ======================= Grid point 18 (11/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.000 21.943 0.000) 21.943 1.259 ( 0.000 27.458 0.000) 27.458 1.447 ( 0.000 -17.040 0.000) 17.040 1.792 ( 0.000 -19.310 0.000) 19.310 2.057 ( 0.000 31.905 0.000) 31.905 2.319 ( 0.000 10.421 0.000) 10.421 2.484 ( 0.000 -1.269 0.000) 1.269 2.488 ( 0.000 -0.337 0.000) 0.337 2.594 ( 0.000 -4.844 0.000) 4.844 2.712 ( 0.000 -17.616 0.000) 17.616 2.938 ( 0.000 -2.897 0.000) 2.897 2.948 ( 0.000 -4.664 0.000) 4.664 3.175 ( 0.000 8.050 0.000) 8.050 3.268 ( 0.000 1.925 0.000) 1.925 3.353 ( 0.000 5.881 0.000) 5.881 3.384 ( 0.000 0.961 0.000) 0.961 3.484 ( 0.000 -1.950 0.000) 1.950 3.599 ( 0.000 -8.987 0.000) 8.987 3.628 ( 0.000 2.474 0.000) 2.474 3.814 ( 0.000 -13.553 0.000) 13.553 3.885 ( 0.000 -0.402 0.000) 0.402 3.938 ( 0.000 -2.935 0.000) 2.935 4.156 ( 0.000 3.807 0.000) 3.807 4.186 ( 0.000 -0.084 0.000) 0.084 4.472 ( 0.000 1.739 0.000) 1.739 4.489 ( 0.000 6.630 0.000) 6.630 4.563 ( 0.000 0.457 0.000) 0.457 4.630 ( 0.000 -9.517 0.000) 9.517 4.842 ( 0.000 8.006 0.000) 8.006 4.984 ( 0.000 1.230 0.000) 1.230 4.992 ( 0.000 1.047 0.000) 1.047 4.998 ( 0.000 -5.178 0.000) 5.178 5.328 ( 0.000 1.121 0.000) 1.121 5.370 ( 0.000 -3.157 0.000) 3.157 5.372 ( 0.000 0.219 0.000) 0.219 5.400 ( 0.000 -2.855 0.000) 2.855 5.479 ( 0.000 8.858 0.000) 8.858 5.653 ( 0.000 -5.714 0.000) 5.714 5.877 ( 0.000 3.504 0.000) 3.504 5.923 ( 0.000 -0.258 0.000) 0.258 6.666 ( 0.000 2.338 0.000) 2.338 6.696 ( 0.000 1.168 0.000) 1.168 6.737 ( 0.000 2.487 0.000) 2.487 6.834 ( 0.000 -7.577 0.000) 7.577 7.134 ( 0.000 0.428 0.000) 0.428 7.159 ( 0.000 -1.349 0.000) 1.349 7.188 ( 0.000 0.898 0.000) 0.898 7.249 ( 0.000 -3.907 0.000) 3.907 8.007 ( 0.000 6.584 0.000) 6.584 8.179 ( 0.000 -8.572 0.000) 8.572 8.287 ( 0.000 4.321 0.000) 4.321 8.366 ( 0.000 -3.604 0.000) 3.604 8.815 ( 0.000 2.443 0.000) 2.443 8.854 ( 0.000 -2.236 0.000) 2.236 8.874 ( 0.000 3.442 0.000) 3.442 8.938 ( 0.000 0.666 0.000) 0.666 8.962 ( 0.000 -1.463 0.000) 1.463 8.985 ( 0.000 -5.598 0.000) 5.598 9.373 ( 0.000 2.938 0.000) 2.938 9.425 ( 0.000 -1.833 0.000) 1.833 10.300 ( 0.000 6.663 0.000) 6.663 10.411 ( 0.000 -3.878 0.000) 3.878 10.416 ( 0.000 4.051 0.000) 4.051 10.507 ( 0.000 -4.066 0.000) 4.066 11.044 ( 0.000 2.708 0.000) 2.708 11.081 ( 0.000 -1.023 0.000) 1.023 11.248 ( 0.000 2.868 0.000) 2.868 11.308 ( 0.000 -2.186 0.000) 2.186 11.644 ( 0.000 0.489 0.000) 0.489 11.693 ( 0.000 -4.403 0.000) 4.403 12.703 ( 0.000 10.375 0.000) 10.375 12.912 ( 0.000 -8.624 0.000) 8.624 12.923 ( 0.000 3.182 0.000) 3.182 12.989 ( 0.000 -2.984 0.000) 2.984 13.430 ( 0.000 1.793 0.000) 1.793 13.460 ( 0.000 -0.909 0.000) 0.909 13.981 ( 0.000 2.375 0.000) 2.375 14.040 ( 0.000 -2.573 0.000) 2.573 14.632 ( 0.000 1.757 0.000) 1.757 14.645 ( 0.000 0.215 0.000) 0.215 14.894 ( 0.000 -0.201 0.000) 0.201 14.948 ( 0.000 -5.461 0.000) 5.461 15.332 ( 0.000 1.838 0.000) 1.838 15.388 ( 0.000 -3.336 0.000) 3.336 15.776 ( 0.000 3.938 0.000) 3.938 15.815 ( 0.000 -0.081 0.000) 0.081 16.341 ( 0.000 0.788 0.000) 0.788 16.380 ( 0.000 -2.917 0.000) 2.917 16.691 ( 0.000 7.343 0.000) 7.343 16.872 ( 0.000 -9.450 0.000) 9.450 17.236 ( 0.000 8.490 0.000) 8.490 17.417 ( 0.000 -7.903 0.000) 7.903 17.966 ( 0.000 6.995 0.000) 6.995 17.992 ( 0.000 1.698 0.000) 1.698 18.032 ( 0.000 -1.821 0.000) 1.821 18.070 ( 0.000 -3.085 0.000) 3.085 18.532 ( 0.000 7.947 0.000) 7.947 18.684 ( 0.000 -5.481 0.000) 5.481 18.808 ( 0.000 1.028 0.000) 1.028 18.897 ( 0.000 -6.802 0.000) 6.802 19.578 ( 0.000 10.924 0.000) 10.924 19.762 ( 0.000 -6.353 0.000) 6.353 20.279 ( 0.000 2.207 0.000) 2.207 20.325 ( 0.000 -2.001 0.000) 2.001 20.530 ( 0.000 0.914 0.000) 0.914 20.549 ( 0.000 -0.790 0.000) 0.790 21.039 ( 0.000 1.962 0.000) 1.962 21.103 ( 0.000 -3.948 0.000) 3.948 ======================= Grid point 19 (12/45) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 8.571 19.276 0.000) 21.095 1.295 ( 6.464 26.045 0.000) 26.836 1.509 ( 5.754 -15.690 0.000) 16.712 1.834 ( 3.237 -23.107 0.000) 23.332 2.181 ( 9.890 22.249 0.000) 24.349 2.366 ( 2.476 7.722 0.000) 8.109 2.468 ( 1.098 -0.372 0.000) 1.159 2.564 ( 3.065 -3.958 0.000) 5.006 2.636 ( 6.193 0.537 0.000) 6.216 2.778 ( 6.341 -10.615 0.000) 12.365 2.874 ( -5.825 -2.209 0.000) 6.230 2.920 ( -1.722 -6.163 0.000) 6.399 3.192 ( 1.216 9.325 0.000) 9.404 3.291 ( 1.255 2.252 0.000) 2.578 3.311 ( -3.332 4.056 0.000) 5.249 3.347 ( -1.753 0.832 0.000) 1.940 3.502 ( 1.478 -1.341 0.000) 1.996 3.577 ( -1.355 -1.833 0.000) 2.279 3.647 ( 0.239 -0.290 0.000) 0.376 3.817 ( -0.914 -9.124 0.000) 9.170 3.861 ( -2.015 -1.679 0.000) 2.623 3.926 ( -0.781 -4.788 0.000) 4.851 4.098 ( -3.994 4.504 0.000) 6.020 4.184 ( -0.567 -2.792 0.000) 2.849 4.444 ( -4.520 7.244 0.000) 8.538 4.465 ( -1.288 1.184 0.000) 1.749 4.561 ( -0.602 -0.712 0.000) 0.933 4.621 ( -0.293 -8.445 0.000) 8.450 4.848 ( 0.731 6.199 0.000) 6.242 4.980 ( -1.312 -4.836 0.000) 5.010 5.007 ( 3.274 3.946 0.000) 5.128 5.044 ( 3.601 0.446 0.000) 3.629 5.244 ( -5.120 2.519 0.000) 5.706 5.323 ( -2.666 -5.021 0.000) 5.686 5.378 ( -0.604 0.419 0.000) 0.735 5.411 ( -0.110 -2.509 0.000) 2.512 5.516 ( 3.145 7.036 0.000) 7.706 5.644 ( -0.783 -3.862 0.000) 3.941 5.859 ( -0.775 7.972 0.000) 8.010 6.001 ( 3.314 -5.660 0.000) 6.558 6.614 ( -3.366 3.137 0.000) 4.601 6.698 ( -1.487 -2.825 0.000) 3.193 6.747 ( 0.554 2.093 0.000) 2.165 6.791 ( -1.956 -3.457 0.000) 3.972 7.071 ( -3.189 2.458 0.000) 4.026 7.117 ( -2.883 -0.573 0.000) 2.939 7.245 ( 3.528 0.162 0.000) 3.532 7.327 ( 5.006 -6.203 0.000) 7.971 7.985 ( -2.291 5.823 0.000) 6.258 8.127 ( -4.591 -6.187 0.000) 7.704 8.255 ( -3.272 3.398 0.000) 4.718 8.342 ( -2.323 -4.746 0.000) 5.284 8.736 ( -3.845 2.163 0.000) 4.411 8.774 ( -3.869 -0.640 0.000) 3.921 8.893 ( 0.743 0.984 0.000) 1.232 8.945 ( -1.891 -2.300 0.000) 2.977 9.007 ( 4.808 0.604 0.000) 4.846 9.039 ( 3.968 -2.600 0.000) 4.744 9.384 ( 0.845 2.402 0.000) 2.547 9.433 ( 0.638 -1.943 0.000) 2.045 10.347 ( 3.880 7.274 0.000) 8.244 10.430 ( 4.839 3.372 0.000) 5.898 10.540 ( 5.314 -0.812 0.000) 5.375 10.629 ( 9.396 -5.969 0.000) 11.132 11.090 ( 4.824 2.927 0.000) 5.643 11.132 ( 4.756 -0.354 0.000) 4.769 11.323 ( 5.874 0.035 0.000) 5.874 11.358 ( 7.042 -2.487 0.000) 7.468 11.658 ( 1.426 0.848 0.000) 1.659 11.714 ( 2.037 -4.385 0.000) 4.835 12.630 ( -6.905 9.830 0.000) 12.013 12.835 ( -7.645 -8.637 0.000) 11.535 12.906 ( -1.483 2.907 0.000) 3.263 12.969 ( -1.755 -3.027 0.000) 3.499 13.340 ( -7.001 3.355 0.000) 7.764 13.387 ( -6.054 -1.355 0.000) 6.204 13.941 ( -3.826 2.870 0.000) 4.783 14.010 ( -2.915 -3.054 0.000) 4.222 14.463 ( -10.956 6.884 0.000) 12.939 14.618 ( -7.568 -7.812 0.000) 10.876 14.869 ( 3.051 7.454 0.000) 8.054 15.034 ( 2.657 -8.160 0.000) 8.582 15.330 ( 2.380 4.003 0.000) 4.657 15.438 ( 4.672 -5.905 0.000) 7.530 15.904 ( 7.645 2.258 0.000) 7.972 15.927 ( 10.696 0.140 0.000) 10.697 16.359 ( 1.430 1.830 0.000) 2.323 16.421 ( 4.284 -3.261 0.000) 5.384 16.754 ( 5.178 7.662 0.000) 9.248 16.937 ( 5.697 -9.377 0.000) 10.972 17.241 ( 0.484 6.473 0.000) 6.491 17.391 ( -1.992 -6.952 0.000) 7.232 17.903 ( -4.039 6.844 0.000) 7.947 17.945 ( -4.395 2.620 0.000) 5.117 18.017 ( -1.906 -3.199 0.000) 3.724 18.040 ( -2.686 -4.546 0.000) 5.280 18.559 ( 1.078 6.049 0.000) 6.144 18.680 ( -0.333 -5.211 0.000) 5.222 18.854 ( 5.457 3.896 0.000) 6.705 18.972 ( 6.299 -6.243 0.000) 8.869 19.605 ( 2.330 9.260 0.000) 9.549 19.772 ( 0.712 -6.171 0.000) 6.212 20.232 ( -3.942 3.320 0.000) 5.154 20.302 ( -2.182 -3.295 0.000) 3.952 20.519 ( -0.922 1.060 0.000) 1.405 20.543 ( -0.548 -1.073 0.000) 1.205 20.985 ( -4.447 3.707 0.000) 5.789 21.073 ( -3.481 -4.761 0.000) 5.898 ======================= Grid point 20 (13/45) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 13.874 13.027 0.000) 19.031 1.541 ( 15.130 14.823 0.000) 21.181 1.659 ( 8.643 -13.063 0.000) 15.664 1.904 ( 3.545 -17.451 0.000) 17.807 2.317 ( -0.548 8.112 0.000) 8.130 2.359 ( 0.553 2.462 0.000) 2.523 2.525 ( -0.574 -1.899 0.000) 1.984 2.591 ( 3.169 -5.676 0.000) 6.501 2.738 ( -3.467 2.572 0.000) 4.317 2.820 ( 6.467 0.497 0.000) 6.486 2.893 ( 3.315 -1.226 0.000) 3.534 2.982 ( 8.004 -9.126 0.000) 12.138 3.172 ( -5.036 6.089 0.000) 7.902 3.233 ( -2.827 1.975 0.000) 3.448 3.310 ( 1.497 3.312 0.000) 3.635 3.352 ( 0.007 0.713 0.000) 0.713 3.526 ( 0.548 2.247 0.000) 2.313 3.557 ( -0.346 1.791 0.000) 1.824 3.613 ( -2.557 3.544 0.000) 4.370 3.759 ( -2.892 3.457 0.000) 4.507 3.832 ( -0.430 -4.453 0.000) 4.474 3.919 ( -0.484 -6.755 0.000) 6.772 4.045 ( -0.924 2.071 0.000) 2.267 4.172 ( -0.366 -7.241 0.000) 7.250 4.329 ( -5.209 8.213 0.000) 9.726 4.426 ( -2.312 1.983 0.000) 3.046 4.536 ( -1.423 -0.781 0.000) 1.623 4.623 ( 0.230 -7.817 0.000) 7.821 4.865 ( 0.255 3.784 0.000) 3.793 4.968 ( 0.367 -4.193 0.000) 4.209 5.065 ( 0.897 4.538 0.000) 4.626 5.128 ( 4.063 0.107 0.000) 4.064 5.173 ( -0.558 5.122 0.000) 5.153 5.316 ( 2.167 -5.654 0.000) 6.055 5.361 ( -1.208 0.449 0.000) 1.288 5.405 ( 0.163 -2.790 0.000) 2.795 5.558 ( -0.015 3.291 0.000) 3.291 5.614 ( -1.934 -1.687 0.000) 2.566 5.816 ( -3.693 8.284 0.000) 9.070 5.984 ( -5.139 -6.664 0.000) 8.416 6.576 ( 0.263 2.704 0.000) 2.716 6.655 ( -0.861 -4.155 0.000) 4.243 6.767 ( 1.516 1.719 0.000) 2.291 6.786 ( 1.160 -0.312 0.000) 1.201 7.029 ( -1.243 3.177 0.000) 3.412 7.088 ( -0.146 -0.977 0.000) 0.988 7.285 ( -0.166 1.399 0.000) 1.409 7.393 ( 0.782 -7.415 0.000) 7.457 7.920 ( -3.521 4.246 0.000) 5.516 8.028 ( -4.532 -4.857 0.000) 6.643 8.164 ( -5.215 2.797 0.000) 5.917 8.263 ( -5.454 -5.773 0.000) 7.942 8.711 ( 1.096 2.219 0.000) 2.475 8.740 ( 0.334 0.241 0.000) 0.412 8.903 ( 0.054 0.621 0.000) 0.623 8.937 ( 2.134 -2.598 0.000) 3.362 9.103 ( 4.183 0.649 0.000) 4.233 9.118 ( 3.883 -0.783 0.000) 3.961 9.391 ( -0.450 1.982 0.000) 2.033 9.443 ( 0.021 -2.203 0.000) 2.204 10.429 ( 3.541 8.428 0.000) 9.142 10.529 ( 3.776 6.298 0.000) 7.343 10.618 ( 2.271 -1.516 0.000) 2.731 10.751 ( 2.602 -7.152 0.000) 7.611 11.232 ( 8.599 1.946 0.000) 8.816 11.261 ( 7.623 -0.315 0.000) 7.630 11.482 ( 10.464 3.377 0.000) 10.995 11.570 ( 10.537 -4.799 0.000) 11.578 11.705 ( 3.407 1.885 0.000) 3.894 11.785 ( 5.731 -5.211 0.000) 7.746 12.455 ( -9.455 6.829 0.000) 11.663 12.623 ( -12.322 -7.902 0.000) 14.638 12.876 ( -1.252 2.203 0.000) 2.534 12.928 ( -2.037 -2.529 0.000) 3.247 13.197 ( -6.947 4.031 0.000) 8.031 13.257 ( -6.645 -1.638 0.000) 6.844 13.843 ( -5.300 3.824 0.000) 6.535 13.930 ( -4.732 -3.952 0.000) 6.165 14.245 ( -9.686 8.121 0.000) 12.640 14.417 ( -11.084 -7.576 0.000) 13.426 14.955 ( 4.633 4.359 0.000) 6.361 15.063 ( 1.256 -5.314 0.000) 5.461 15.421 ( 4.990 5.289 0.000) 7.271 15.556 ( 5.844 -7.020 0.000) 9.134 16.067 ( 8.087 2.761 0.000) 8.545 16.133 ( 9.666 -2.284 0.000) 9.932 16.416 ( 4.343 4.603 0.000) 6.328 16.514 ( 3.799 -2.389 0.000) 4.488 16.857 ( 4.643 9.356 0.000) 10.445 17.060 ( 5.672 -8.979 0.000) 10.620 17.247 ( -0.156 3.330 0.000) 3.334 17.368 ( 0.402 -7.390 0.000) 7.401 17.822 ( -4.312 3.796 0.000) 5.745 17.857 ( -3.905 1.808 0.000) 4.303 17.953 ( -3.646 -1.021 0.000) 3.787 17.984 ( -2.869 -5.164 0.000) 5.908 18.565 ( 0.269 5.055 0.000) 5.062 18.675 ( 0.229 -4.952 0.000) 4.957 18.981 ( 4.820 6.411 0.000) 8.021 19.118 ( 7.607 -5.707 0.000) 9.509 19.667 ( 3.836 5.154 0.000) 6.425 19.777 ( -0.254 -4.720 0.000) 4.727 20.153 ( -3.223 4.863 0.000) 5.834 20.250 ( -2.571 -4.462 0.000) 5.149 20.497 ( -1.194 1.435 0.000) 1.867 20.528 ( -0.870 -1.382 0.000) 1.633 20.880 ( -5.703 3.916 0.000) 6.918 20.965 ( -6.748 -4.158 0.000) 7.926 ======================= Grid point 21 (14/45) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 14.210 2.985 0.000) 14.520 1.790 ( 4.887 -5.583 0.000) 7.420 1.826 ( 8.457 5.890 0.000) 10.306 1.973 ( 4.494 -5.986 0.000) 7.485 2.288 ( 2.135 2.731 0.000) 3.466 2.360 ( 0.556 -5.000 0.000) 5.031 2.518 ( 2.398 1.322 0.000) 2.738 2.600 ( -1.862 -2.737 0.000) 3.311 2.755 ( 1.393 1.934 0.000) 2.384 2.828 ( -4.261 -2.140 0.000) 4.768 2.943 ( -1.788 3.077 0.000) 3.559 3.007 ( -6.087 -1.159 0.000) 6.196 3.077 ( -3.179 -1.316 0.000) 3.440 3.127 ( -7.775 -4.996 0.000) 9.242 3.365 ( 4.254 1.858 0.000) 4.642 3.380 ( 4.751 2.387 0.000) 5.317 3.484 ( -4.265 3.617 0.000) 5.592 3.573 ( 1.070 -2.252 0.000) 2.493 3.637 ( 3.338 8.889 0.000) 9.495 3.767 ( 3.693 3.005 0.000) 4.761 3.805 ( -2.731 -0.747 0.000) 2.832 3.901 ( -1.065 -5.073 0.000) 5.184 4.075 ( 3.870 -0.391 0.000) 3.889 4.162 ( -0.184 -5.436 0.000) 5.439 4.285 ( 0.858 8.184 0.000) 8.229 4.392 ( -0.586 0.739 0.000) 0.943 4.512 ( -1.631 1.451 0.000) 2.183 4.615 ( -1.154 -6.900 0.000) 6.996 4.875 ( 1.506 4.577 0.000) 4.818 4.976 ( -0.018 -2.840 0.000) 2.840 5.051 ( -1.510 3.971 0.000) 4.248 5.141 ( -0.634 -3.739 0.000) 3.793 5.251 ( 4.607 6.391 0.000) 7.879 5.324 ( -2.001 3.266 0.000) 3.830 5.378 ( 2.997 -3.705 0.000) 4.765 5.427 ( 1.670 -4.890 0.000) 5.167 5.511 ( -3.321 1.641 0.000) 3.704 5.583 ( -1.572 -3.592 0.000) 3.921 5.731 ( -3.916 4.270 0.000) 5.794 5.838 ( -7.842 -4.777 0.000) 9.183 6.623 ( 4.019 2.540 0.000) 4.754 6.689 ( 3.783 -3.317 0.000) 5.031 6.807 ( 2.510 2.272 0.000) 3.386 6.837 ( 3.110 -0.629 0.000) 3.173 7.004 ( -1.508 4.176 0.000) 4.439 7.087 ( -0.166 -1.762 0.000) 1.769 7.236 ( -4.296 2.725 0.000) 5.087 7.350 ( -4.647 -6.600 0.000) 8.072 7.869 ( -1.165 3.562 0.000) 3.748 7.958 ( -2.282 -2.741 0.000) 3.567 8.062 ( -4.411 0.244 0.000) 4.418 8.146 ( -5.535 -5.479 0.000) 7.788 8.752 ( 2.389 2.259 0.000) 3.288 8.769 ( 1.979 1.093 0.000) 2.261 8.927 ( 2.409 2.496 0.000) 3.470 9.003 ( 3.810 -4.506 0.000) 5.901 9.157 ( 1.430 2.392 0.000) 2.787 9.202 ( 4.054 -1.088 0.000) 4.197 9.359 ( -2.701 2.221 0.000) 3.497 9.425 ( -1.900 -2.816 0.000) 3.397 10.479 ( 1.581 9.237 0.000) 9.371 10.559 ( -0.503 10.785 0.000) 10.796 10.655 ( 1.772 -6.559 0.000) 6.794 10.763 ( -0.846 -7.785 0.000) 7.831 11.412 ( 8.493 0.953 0.000) 8.546 11.424 ( 7.886 0.085 0.000) 7.887 11.670 ( 6.253 1.613 0.000) 6.458 11.714 ( 4.216 -2.766 0.000) 5.042 11.820 ( 8.318 5.348 0.000) 9.889 11.952 ( 9.332 -5.093 0.000) 10.631 12.277 ( -7.861 2.046 0.000) 8.123 12.383 ( -10.508 -6.551 0.000) 12.382 12.861 ( -0.136 1.675 0.000) 1.680 12.895 ( -1.194 -1.244 0.000) 1.725 13.059 ( -6.567 3.844 0.000) 7.609 13.114 ( -7.259 -1.381 0.000) 7.389 13.755 ( -2.909 3.671 0.000) 4.684 13.835 ( -4.299 -3.436 0.000) 5.504 14.088 ( -5.790 4.813 0.000) 7.529 14.205 ( -9.336 -5.617 0.000) 10.896 15.044 ( 3.960 2.347 0.000) 4.603 15.099 ( 2.134 -2.522 0.000) 3.304 15.499 ( 2.833 4.493 0.000) 5.312 15.630 ( 1.029 -7.047 0.000) 7.122 16.227 ( 7.800 4.069 0.000) 8.797 16.329 ( 9.587 -4.635 0.000) 10.649 16.513 ( 4.354 3.522 0.000) 5.600 16.541 ( -1.238 3.464 0.000) 3.678 16.959 ( 5.728 6.986 0.000) 9.034 17.141 ( 1.587 -8.646 0.000) 8.791 17.258 ( 2.627 3.514 0.000) 4.387 17.412 ( 3.470 -9.128 0.000) 9.765 17.728 ( -4.443 2.293 0.000) 5.000 17.778 ( -3.923 -1.881 0.000) 4.350 17.874 ( -4.673 2.231 0.000) 5.178 17.923 ( -3.437 -2.869 0.000) 4.477 18.590 ( 2.306 5.987 0.000) 6.416 18.694 ( 1.283 -1.896 0.000) 2.289 19.031 ( 1.065 5.915 0.000) 6.010 19.221 ( 1.102 -10.218 0.000) 10.277 19.758 ( 4.833 1.722 0.000) 5.130 19.791 ( 2.600 -1.089 0.000) 2.819 20.111 ( -1.034 5.209 0.000) 5.311 20.202 ( -2.341 -3.389 0.000) 4.119 20.475 ( -0.856 1.644 0.000) 1.853 20.508 ( -1.104 -1.310 0.000) 1.713 20.767 ( -5.030 2.309 0.000) 5.535 20.823 ( -6.777 -2.809 0.000) 7.336 ======================= Grid point 22 (15/45) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -0.679 2.435 0.000) 2.528 1.783 ( -4.142 -0.625 0.000) 4.189 2.042 ( 10.381 -1.008 0.000) 10.430 2.101 ( 4.966 -5.455 0.000) 7.377 2.405 ( 7.987 3.739 0.000) 8.819 2.481 ( 7.643 -2.611 0.000) 8.077 2.548 ( -2.931 0.772 0.000) 3.031 2.569 ( -0.778 -1.081 0.000) 1.332 2.683 ( -1.650 4.246 0.000) 4.555 2.756 ( -2.859 -0.328 0.000) 2.877 2.813 ( -7.607 1.285 0.000) 7.715 2.859 ( -9.092 -2.531 0.000) 9.437 3.020 ( 1.001 0.046 0.000) 1.002 3.057 ( -1.405 -1.383 0.000) 1.971 3.378 ( -0.833 1.946 0.000) 2.117 3.415 ( -2.831 -0.293 0.000) 2.846 3.516 ( 5.878 2.337 0.000) 6.325 3.580 ( -0.590 -1.946 0.000) 2.033 3.683 ( 1.503 1.656 0.000) 2.237 3.724 ( -2.844 -1.833 0.000) 3.384 3.867 ( 2.805 1.941 0.000) 3.411 3.886 ( -0.172 -0.630 0.000) 0.653 4.153 ( 2.671 -3.444 0.000) 4.359 4.173 ( 0.417 -4.053 0.000) 4.074 4.342 ( 4.138 5.907 0.000) 7.213 4.433 ( 3.702 -2.271 0.000) 4.343 4.442 ( -3.196 7.810 0.000) 8.438 4.563 ( -4.851 -2.991 0.000) 5.699 4.918 ( 2.266 3.657 0.000) 4.302 4.961 ( -1.657 1.825 0.000) 2.465 5.044 ( 1.863 0.046 0.000) 1.864 5.106 ( -3.000 -4.030 0.000) 5.024 5.305 ( 0.339 5.488 0.000) 5.499 5.310 ( 0.883 6.097 0.000) 6.161 5.418 ( 1.234 -2.155 0.000) 2.483 5.440 ( -0.900 -1.142 0.000) 1.454 5.490 ( 1.956 -5.002 0.000) 5.371 5.541 ( -2.524 -5.656 0.000) 6.194 5.680 ( -0.795 -0.209 0.000) 0.822 5.711 ( -4.088 -2.739 0.000) 4.921 6.723 ( 5.153 2.312 0.000) 5.648 6.768 ( 2.391 -1.778 0.000) 2.979 6.840 ( 0.443 1.425 0.000) 1.493 6.871 ( -0.985 -1.780 0.000) 2.035 6.996 ( 2.577 6.418 0.000) 6.916 7.078 ( -2.547 2.764 0.000) 3.759 7.158 ( -0.384 -2.240 0.000) 2.273 7.235 ( -5.875 -5.432 0.000) 8.001 7.876 ( 1.654 3.775 0.000) 4.121 7.920 ( -2.170 2.875 0.000) 3.602 8.010 ( -0.094 -4.662 0.000) 4.663 8.052 ( -3.660 -5.339 0.000) 6.473 8.793 ( 1.360 2.491 0.000) 2.838 8.800 ( 0.728 2.130 0.000) 2.251 8.995 ( 3.916 1.850 0.000) 4.331 9.051 ( -0.421 -2.865 0.000) 2.895 9.189 ( 2.811 2.548 0.000) 3.794 9.255 ( -1.275 -2.670 0.000) 2.959 9.310 ( 0.645 2.091 0.000) 2.188 9.369 ( -3.371 -2.572 0.000) 4.240 10.504 ( 1.186 9.602 0.000) 9.675 10.533 ( -1.613 10.190 0.000) 10.317 10.692 ( 1.923 -7.263 0.000) 7.513 10.732 ( -1.947 -7.760 0.000) 8.001 11.542 ( 3.673 0.790 0.000) 3.757 11.545 ( 3.350 0.600 0.000) 3.403 11.753 ( 2.572 -0.491 0.000) 2.618 11.768 ( 1.156 -1.931 0.000) 2.250 11.981 ( 6.744 6.076 0.000) 9.077 12.090 ( -0.195 3.865 0.000) 3.870 12.153 ( -0.556 -7.139 0.000) 7.161 12.228 ( -4.915 -6.505 0.000) 8.153 12.869 ( 0.686 1.231 0.000) 1.410 12.879 ( -0.472 0.556 0.000) 0.730 12.958 ( -2.439 2.484 0.000) 3.481 12.986 ( -4.705 -0.181 0.000) 4.709 13.730 ( 0.361 1.638 0.000) 1.677 13.763 ( -2.730 -1.151 0.000) 2.963 14.019 ( -0.859 0.515 0.000) 1.001 14.058 ( -4.798 -2.898 0.000) 5.605 15.109 ( 2.321 1.643 0.000) 2.843 15.130 ( 0.391 0.016 0.000) 0.391 15.551 ( 2.712 -0.030 0.000) 2.712 15.608 ( -2.535 -4.839 0.000) 5.463 16.372 ( 6.284 6.400 0.000) 8.969 16.479 ( -4.107 6.829 0.000) 7.969 16.497 ( 6.002 -4.792 0.000) 7.680 16.562 ( -0.195 -1.382 0.000) 1.395 17.068 ( 4.502 2.224 0.000) 5.021 17.132 ( -1.877 -2.642 0.000) 3.241 17.357 ( 6.024 0.201 0.000) 6.028 17.450 ( -1.687 -7.038 0.000) 7.237 17.690 ( 1.450 1.807 0.000) 2.317 17.734 ( 0.658 -0.439 0.000) 0.791 17.767 ( -4.714 1.503 0.000) 4.948 17.831 ( -5.603 -2.657 0.000) 6.201 18.650 ( 3.234 6.869 0.000) 7.592 18.700 ( -1.212 4.332 0.000) 4.498 19.071 ( 3.625 -2.523 0.000) 4.416 19.168 ( -5.033 -9.493 0.000) 10.745 19.846 ( 3.434 0.920 0.000) 3.555 19.861 ( 2.411 -0.458 0.000) 2.454 20.107 ( 0.851 3.648 0.000) 3.746 20.150 ( -2.803 -0.439 0.000) 2.837 20.468 ( 0.292 0.961 0.000) 1.005 20.485 ( -1.146 -0.514 0.000) 1.256 20.696 ( -1.612 0.302 0.000) 1.640 20.714 ( -3.469 -1.311 0.000) 3.708 ======================= Grid point 45 (16/45) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 0.000 25.901) 25.901 0.585 ( 0.000 0.000 28.537) 28.537 1.017 ( 0.000 0.000 50.550) 50.550 1.857 ( 0.000 0.000 -16.418) 16.418 2.046 ( 0.000 0.000 7.530) 7.530 2.137 ( 0.000 0.000 -8.503) 8.503 2.505 ( 0.000 0.000 0.145) 0.145 2.602 ( 0.000 0.000 0.587) 0.587 2.778 ( 0.000 0.000 1.509) 1.509 2.944 ( 0.000 0.000 -3.309) 3.309 3.000 ( 0.000 0.000 6.663) 6.663 3.085 ( 0.000 0.000 7.122) 7.122 3.172 ( 0.000 0.000 -4.755) 4.755 3.204 ( 0.000 0.000 2.490) 2.490 3.331 ( 0.000 0.000 5.051) 5.051 3.410 ( 0.000 0.000 -8.494) 8.494 3.563 ( 0.000 0.000 -5.964) 5.964 3.612 ( 0.000 0.000 -3.857) 3.857 3.693 ( 0.000 0.000 7.125) 7.125 3.786 ( 0.000 0.000 2.505) 2.505 3.906 ( 0.000 0.000 6.299) 6.299 4.028 ( 0.000 0.000 -6.139) 6.139 4.082 ( 0.000 0.000 -6.250) 6.250 4.210 ( 0.000 0.000 -2.618) 2.618 4.225 ( 0.000 0.000 -0.024) 0.024 4.334 ( 0.000 0.000 -13.892) 13.892 4.511 ( 0.000 0.000 1.571) 1.571 4.734 ( 0.000 0.000 -8.717) 8.717 4.856 ( 0.000 0.000 -3.847) 3.847 4.911 ( 0.000 0.000 -4.736) 4.736 4.989 ( 0.000 0.000 2.436) 2.436 5.068 ( 0.000 0.000 0.336) 0.336 5.214 ( 0.000 0.000 2.502) 2.502 5.228 ( 0.000 0.000 6.970) 6.970 5.314 ( 0.000 0.000 -1.022) 1.022 5.413 ( 0.000 0.000 -2.642) 2.642 5.430 ( 0.000 0.000 5.614) 5.614 5.493 ( 0.000 0.000 -4.855) 4.855 5.916 ( 0.000 0.000 2.703) 2.703 5.951 ( 0.000 0.000 3.080) 3.080 6.654 ( 0.000 0.000 1.599) 1.599 6.721 ( 0.000 0.000 0.945) 0.945 6.918 ( 0.000 0.000 1.899) 1.899 7.034 ( 0.000 0.000 -1.061) 1.061 7.077 ( 0.000 0.000 -1.367) 1.367 7.289 ( 0.000 0.000 -1.994) 1.994 7.312 ( 0.000 0.000 6.406) 6.406 7.421 ( 0.000 0.000 1.082) 1.082 7.985 ( 0.000 0.000 0.339) 0.339 8.110 ( 0.000 0.000 -2.600) 2.600 8.410 ( 0.000 0.000 3.243) 3.243 8.516 ( 0.000 0.000 1.256) 1.256 8.731 ( 0.000 0.000 0.132) 0.132 8.808 ( 0.000 0.000 -2.272) 2.272 8.928 ( 0.000 0.000 -0.508) 0.508 8.957 ( 0.000 0.000 -0.578) 0.578 9.054 ( 0.000 0.000 4.730) 4.730 9.126 ( 0.000 0.000 0.503) 0.503 9.241 ( 0.000 0.000 -2.921) 2.921 9.432 ( 0.000 0.000 -4.173) 4.173 9.986 ( 0.000 0.000 1.079) 1.079 10.063 ( 0.000 0.000 -0.678) 0.678 10.527 ( 0.000 0.000 2.195) 2.195 10.742 ( 0.000 0.000 -3.301) 3.301 10.880 ( 0.000 0.000 0.444) 0.444 10.930 ( 0.000 0.000 -0.504) 0.504 11.137 ( 0.000 0.000 3.156) 3.156 11.510 ( 0.000 0.000 -7.776) 7.776 11.817 ( 0.000 0.000 9.204) 9.204 12.330 ( 0.000 0.000 -5.160) 5.160 12.609 ( 0.000 0.000 0.004) 0.004 12.614 ( 0.000 0.000 -0.004) 0.004 13.063 ( 0.000 0.000 2.316) 2.316 13.135 ( 0.000 0.000 -0.058) 0.058 13.378 ( 0.000 0.000 0.446) 0.446 13.443 ( 0.000 0.000 -1.707) 1.707 13.725 ( 0.000 0.000 5.931) 5.931 14.092 ( 0.000 0.000 -2.493) 2.493 14.548 ( 0.000 0.000 -0.342) 0.342 14.617 ( 0.000 0.000 -2.229) 2.229 14.967 ( 0.000 0.000 1.700) 1.700 15.225 ( 0.000 0.000 -3.814) 3.814 15.509 ( 0.000 0.000 -0.846) 0.846 15.509 ( 0.000 0.000 -0.281) 0.281 15.677 ( 0.000 0.000 1.293) 1.293 15.687 ( 0.000 0.000 2.247) 2.247 16.461 ( 0.000 0.000 -1.472) 1.472 16.475 ( 0.000 0.000 -1.180) 1.180 16.602 ( 0.000 0.000 6.051) 6.051 17.056 ( 0.000 0.000 -5.558) 5.558 17.093 ( 0.000 0.000 4.240) 4.240 17.394 ( 0.000 0.000 -2.514) 2.514 17.758 ( 0.000 0.000 0.164) 0.164 17.858 ( 0.000 0.000 -2.509) 2.509 17.990 ( 0.000 0.000 2.919) 2.919 18.119 ( 0.000 0.000 -0.700) 0.700 18.333 ( 0.000 0.000 0.168) 0.168 18.354 ( 0.000 0.000 -0.450) 0.450 18.899 ( 0.000 0.000 -2.278) 2.278 19.119 ( 0.000 0.000 -3.757) 3.757 19.277 ( 0.000 0.000 15.355) 15.355 19.885 ( 0.000 0.000 0.591) 0.591 20.020 ( 0.000 0.000 -1.916) 1.916 20.143 ( 0.000 0.000 -7.924) 7.924 20.588 ( 0.000 0.000 2.025) 2.025 20.721 ( 0.000 0.000 -1.310) 1.310 21.236 ( 0.000 0.000 0.813) 0.813 21.312 ( 0.000 0.000 -0.950) 0.950 ======================= Grid point 46 (17/45) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 23.609 0.000 13.967) 27.431 0.839 ( 19.172 0.000 20.437) 28.022 1.453 ( 35.949 0.000 30.437) 47.104 1.926 ( 6.187 0.000 -15.063) 16.284 2.082 ( 3.692 0.000 11.132) 11.728 2.158 ( 2.258 0.000 -11.508) 11.727 2.560 ( 3.941 0.000 0.240) 3.948 2.659 ( 5.821 0.000 -0.062) 5.821 2.782 ( -1.854 0.000 1.465) 2.363 2.824 ( -7.253 0.000 -0.541) 7.273 2.996 ( -0.451 0.000 3.065) 3.098 3.038 ( -4.125 0.000 2.330) 4.738 3.148 ( -1.854 0.000 -2.662) 3.244 3.225 ( 1.414 0.000 2.385) 2.773 3.290 ( -3.398 0.000 3.312) 4.745 3.388 ( -1.411 0.000 -3.629) 3.894 3.521 ( -3.767 0.000 -0.577) 3.810 3.557 ( -4.073 0.000 -6.597) 7.753 3.647 ( -3.678 0.000 6.299) 7.295 3.808 ( 1.800 0.000 -1.190) 2.158 3.905 ( -1.837 0.000 3.105) 3.608 3.984 ( -4.045 0.000 -5.390) 6.739 4.060 ( -0.766 0.000 -2.074) 2.211 4.190 ( 0.154 0.000 -2.963) 2.967 4.266 ( 2.679 0.000 0.972) 2.850 4.315 ( -2.262 0.000 -14.502) 14.677 4.522 ( 1.998 0.000 1.804) 2.692 4.705 ( -2.724 0.000 -7.937) 8.391 4.886 ( -0.882 0.000 0.624) 1.081 4.931 ( 4.582 0.000 -3.647) 5.856 5.009 ( -5.235 0.000 0.256) 5.242 5.114 ( 3.457 0.000 1.993) 3.990 5.169 ( 0.774 0.000 1.525) 1.710 5.276 ( -2.727 0.000 0.430) 2.761 5.364 ( 4.521 0.000 -0.556) 4.555 5.437 ( 2.416 0.000 -2.935) 3.801 5.453 ( 3.809 0.000 -0.939) 3.923 5.536 ( 2.973 0.000 -2.192) 3.693 5.802 ( -5.044 0.000 9.410) 10.676 6.110 ( 5.526 0.000 -5.847) 8.045 6.622 ( -1.847 0.000 2.465) 3.080 6.705 ( -3.521 0.000 1.159) 3.707 6.889 ( -7.148 0.000 6.157) 9.434 6.929 ( -8.280 0.000 9.718) 12.767 6.981 ( -3.221 0.000 -3.466) 4.732 7.049 ( -1.192 0.000 -0.353) 1.243 7.416 ( 0.591 0.000 1.157) 1.299 7.540 ( 7.083 0.000 0.984) 7.151 7.967 ( -2.032 0.000 -0.060) 2.033 8.056 ( -4.012 0.000 -0.056) 4.012 8.406 ( -0.380 0.000 2.729) 2.755 8.519 ( -0.786 0.000 1.105) 1.356 8.686 ( -2.370 0.000 -0.808) 2.504 8.752 ( -4.458 0.000 -1.478) 4.696 8.918 ( 0.907 0.000 -1.026) 1.370 8.957 ( -2.877 0.000 -1.099) 3.079 9.058 ( 1.143 0.000 2.654) 2.890 9.126 ( 0.644 0.000 0.118) 0.655 9.308 ( 4.725 0.000 -2.108) 5.173 9.409 ( -1.233 0.000 -2.627) 2.902 10.051 ( 5.412 0.000 0.682) 5.455 10.104 ( 3.519 0.000 -0.347) 3.536 10.619 ( 5.338 0.000 0.351) 5.349 10.822 ( 3.973 0.000 -6.379) 7.515 10.951 ( 6.779 0.000 0.515) 6.799 11.023 ( 8.204 0.000 -1.522) 8.344 11.250 ( 8.005 0.000 -0.939) 8.060 11.553 ( 4.291 0.000 -7.757) 8.865 11.824 ( 0.723 0.000 8.941) 8.970 12.167 ( -10.446 0.000 7.753) 13.009 12.580 ( -2.828 0.000 -0.053) 2.828 12.633 ( 0.648 0.000 -4.037) 4.088 13.016 ( -6.681 0.000 5.242) 8.492 13.077 ( -6.165 0.000 6.325) 8.832 13.124 ( -3.327 0.000 1.929) 3.846 13.382 ( -6.048 0.000 -2.215) 6.440 13.907 ( 4.551 0.000 -3.506) 5.745 14.010 ( -6.116 0.000 -1.819) 6.381 14.287 ( -14.180 0.000 7.893) 16.229 14.741 ( 7.294 0.000 4.052) 8.344 14.772 ( -11.352 0.000 -4.099) 12.069 15.210 ( -0.598 0.000 -5.259) 5.293 15.375 ( -0.739 0.000 6.221) 6.265 15.649 ( 5.059 0.000 -1.129) 5.184 15.708 ( 7.159 0.000 2.395) 7.549 15.963 ( 7.566 0.000 -11.634) 13.878 16.421 ( -3.052 0.000 2.737) 4.100 16.517 ( 1.607 0.000 0.093) 1.609 16.586 ( 0.362 0.000 6.005) 6.016 17.035 ( 5.429 0.000 -4.387) 6.980 17.190 ( 5.202 0.000 3.640) 6.349 17.482 ( 7.898 0.000 -2.685) 8.342 17.728 ( -2.270 0.000 -0.250) 2.284 17.834 ( -3.155 0.000 -1.190) 3.372 18.128 ( -2.592 0.000 0.294) 2.608 18.299 ( 2.662 0.000 -7.533) 7.990 18.362 ( 2.323 0.000 0.390) 2.355 18.459 ( 13.604 0.000 -13.188) 18.947 18.933 ( 5.733 0.000 -2.239) 6.155 19.057 ( -3.492 0.000 2.214) 4.135 19.400 ( 9.051 0.000 6.902) 11.383 19.899 ( 0.849 0.000 1.215) 1.482 20.038 ( -2.111 0.000 -5.730) 6.107 20.145 ( 2.749 0.000 -9.482) 9.872 20.586 ( -0.332 0.000 1.653) 1.686 20.692 ( -2.994 0.000 -0.660) 3.066 21.003 ( -13.689 0.000 12.682) 18.661 21.241 ( -6.758 0.000 -1.568) 6.938 ======================= Grid point 47 (18/45) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 20.571 0.000 9.629) 22.713 1.286 ( 25.269 0.000 8.245) 26.581 2.023 ( 9.474 0.000 -3.719) 10.178 2.086 ( 3.696 0.000 -9.644) 10.328 2.168 ( 3.957 0.000 7.864) 8.804 2.356 ( 26.465 0.000 7.113) 27.404 2.599 ( -3.707 0.000 -0.915) 3.818 2.622 ( -1.076 0.000 2.538) 2.757 2.755 ( -2.807 0.000 0.113) 2.809 2.859 ( -0.551 0.000 -2.003) 2.078 2.907 ( 0.700 0.000 -3.037) 3.116 2.982 ( -0.931 0.000 0.849) 1.259 3.095 ( -3.302 0.000 -5.509) 6.423 3.175 ( -6.999 0.000 4.351) 8.241 3.253 ( -1.267 0.000 0.080) 1.270 3.321 ( -3.457 0.000 4.335) 5.545 3.463 ( -0.312 0.000 -1.224) 1.263 3.540 ( -3.123 0.000 0.135) 3.126 3.570 ( 1.370 0.000 0.888) 1.632 3.804 ( -7.388 0.000 -1.174) 7.481 3.852 ( 1.327 0.000 -4.258) 4.460 3.884 ( -3.424 0.000 -0.458) 3.454 4.089 ( 2.948 0.000 1.905) 3.510 4.210 ( 1.682 0.000 -0.328) 1.713 4.257 ( -2.868 0.000 -8.516) 8.986 4.320 ( 2.018 0.000 0.242) 2.033 4.525 ( -2.467 0.000 -3.870) 4.589 4.686 ( 0.930 0.000 -3.682) 3.798 4.850 ( -3.996 0.000 3.897) 5.581 4.921 ( -1.119 0.000 1.854) 2.165 5.015 ( 1.999 0.000 -2.576) 3.260 5.064 ( -2.050 0.000 5.189) 5.580 5.193 ( -1.014 0.000 -1.504) 1.814 5.296 ( 2.073 0.000 -3.458) 4.032 5.397 ( 1.576 0.000 -1.304) 2.045 5.514 ( 1.474 0.000 -0.589) 1.587 5.534 ( 5.716 0.000 -1.948) 6.039 5.597 ( 3.583 0.000 -2.296) 4.255 5.704 ( -4.517 0.000 8.361) 9.503 6.086 ( -7.210 0.000 -2.749) 7.717 6.602 ( 0.071 0.000 1.543) 1.545 6.634 ( -1.041 0.000 1.296) 1.662 6.794 ( -2.391 0.000 3.167) 3.969 6.820 ( -1.146 0.000 3.717) 3.890 6.998 ( 1.138 0.000 0.572) 1.274 7.034 ( -0.571 0.000 -0.139) 0.587 7.390 ( -3.333 0.000 1.755) 3.767 7.606 ( -1.077 0.000 -0.565) 1.216 7.909 ( -3.436 0.000 0.566) 3.482 7.972 ( -4.042 0.000 0.117) 4.044 8.379 ( -2.704 0.000 0.736) 2.802 8.448 ( -6.134 0.000 0.388) 6.146 8.661 ( 0.391 0.000 -0.030) 0.393 8.694 ( -0.768 0.000 -0.174) 0.787 8.888 ( -2.629 0.000 0.887) 2.775 8.971 ( 3.970 0.000 -2.844) 4.884 9.080 ( 0.533 0.000 -0.371) 0.650 9.146 ( 1.297 0.000 0.010) 1.297 9.385 ( 0.381 0.000 -1.701) 1.743 9.397 ( 1.833 0.000 -1.289) 2.241 10.158 ( 4.356 0.000 0.252) 4.363 10.178 ( 3.359 0.000 0.364) 3.379 10.721 ( 4.476 0.000 0.765) 4.541 10.878 ( 1.807 0.000 -4.284) 4.650 11.146 ( 11.711 0.000 0.257) 11.714 11.220 ( 10.826 0.000 -1.102) 10.882 11.399 ( 7.360 0.000 0.419) 7.372 11.667 ( 6.436 0.000 -5.518) 8.477 11.844 ( 1.083 0.000 7.980) 8.053 12.011 ( -4.874 0.000 7.314) 8.789 12.517 ( -2.901 0.000 0.440) 2.934 12.617 ( -2.276 0.000 -3.292) 4.002 12.895 ( -4.020 0.000 4.076) 5.725 13.004 ( -3.495 0.000 2.148) 4.102 13.035 ( -6.290 0.000 -0.251) 6.295 13.239 ( -7.274 0.000 -2.701) 7.760 13.823 ( -7.874 0.000 2.753) 8.341 13.963 ( -2.422 0.000 -1.783) 3.007 14.065 ( -6.546 0.000 3.288) 7.326 14.517 ( -13.097 0.000 -5.805) 14.326 14.898 ( 7.191 0.000 2.116) 7.496 15.211 ( -0.129 0.000 -1.762) 1.766 15.394 ( 2.604 0.000 5.310) 5.915 15.712 ( 3.182 0.000 -1.792) 3.652 15.939 ( 12.140 0.000 -2.597) 12.414 16.063 ( 3.956 0.000 -8.361) 9.250 16.389 ( 0.301 0.000 4.353) 4.363 16.545 ( 3.053 0.000 1.760) 3.524 16.645 ( 4.687 0.000 6.864) 8.311 17.176 ( 6.653 0.000 -3.100) 7.340 17.305 ( 5.576 0.000 0.720) 5.623 17.604 ( 0.044 0.000 -4.472) 4.472 17.717 ( 4.492 0.000 0.935) 4.588 17.774 ( -2.493 0.000 -0.130) 2.497 17.967 ( -11.834 0.000 2.890) 12.182 18.278 ( -3.358 0.000 -5.461) 6.410 18.399 ( 1.187 0.000 1.095) 1.614 18.560 ( -2.057 0.000 -9.007) 9.239 19.012 ( 0.398 0.000 6.323) 6.336 19.172 ( 15.910 0.000 -2.870) 16.166 19.583 ( 8.350 0.000 1.860) 8.554 19.863 ( -5.905 0.000 -0.583) 5.934 19.979 ( -0.981 0.000 -1.703) 1.965 20.212 ( 2.209 0.000 -9.885) 10.129 20.570 ( -1.248 0.000 1.167) 1.708 20.600 ( -5.618 0.000 2.677) 6.223 20.812 ( -5.877 0.000 7.549) 9.567 21.068 ( -9.572 0.000 -1.928) 9.764 ======================= Grid point 48 (19/45) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 12.125 0.000 3.272) 12.559 1.773 ( 21.473 0.000 3.037) 21.687 1.924 ( -10.843 0.000 0.929) 10.883 2.176 ( 6.424 0.000 -2.224) 6.798 2.309 ( 7.054 0.000 -0.119) 7.055 2.473 ( -5.411 0.000 -6.495) 8.454 2.569 ( -7.407 0.000 1.009) 7.476 2.632 ( 0.597 0.000 -0.814) 1.010 2.729 ( -1.839 0.000 1.954) 2.683 2.829 ( 1.380 0.000 5.517) 5.687 2.925 ( -6.297 0.000 0.186) 6.300 2.965 ( -5.469 0.000 0.717) 5.516 3.066 ( -1.626 0.000 -3.381) 3.752 3.128 ( 5.716 0.000 -6.511) 8.665 3.222 ( 2.352 0.000 -1.024) 2.565 3.317 ( -0.123 0.000 -0.078) 0.146 3.425 ( -1.425 0.000 2.391) 2.784 3.508 ( 1.142 0.000 -3.625) 3.800 3.657 ( -0.514 0.000 4.431) 4.461 3.690 ( 6.226 0.000 2.837) 6.842 3.825 ( 0.019 0.000 2.135) 2.135 3.917 ( 2.193 0.000 -3.175) 3.859 4.149 ( 0.148 0.000 -0.872) 0.885 4.171 ( -2.832 0.000 1.241) 3.092 4.251 ( 1.581 0.000 3.531) 3.869 4.357 ( 2.065 0.000 -1.346) 2.465 4.483 ( -0.572 0.000 -2.381) 2.449 4.680 ( -1.878 0.000 -4.659) 5.023 4.771 ( -2.686 0.000 3.673) 4.550 4.941 ( 2.280 0.000 2.907) 3.694 5.012 ( 0.632 0.000 -0.034) 0.633 5.062 ( -1.445 0.000 4.365) 4.598 5.197 ( 0.586 0.000 -1.891) 1.980 5.298 ( -0.739 0.000 -4.672) 4.730 5.410 ( -0.394 0.000 -2.495) 2.526 5.507 ( -1.062 0.000 0.777) 1.316 5.628 ( -1.557 0.000 2.479) 2.927 5.657 ( 5.305 0.000 -1.006) 5.400 5.697 ( 4.662 0.000 -1.142) 4.800 5.895 ( -10.150 0.000 -2.448) 10.441 6.618 ( 1.692 0.000 1.137) 2.039 6.663 ( 2.664 0.000 1.331) 2.978 6.803 ( 2.668 0.000 1.635) 3.129 6.836 ( 2.347 0.000 1.742) 2.923 6.995 ( -1.241 0.000 2.262) 2.580 7.021 ( -0.951 0.000 0.282) 0.992 7.290 ( -5.770 0.000 1.458) 5.951 7.507 ( -7.886 0.000 -1.947) 8.123 7.841 ( -2.867 0.000 1.006) 3.038 7.895 ( -3.485 0.000 -0.164) 3.488 8.299 ( -4.677 0.000 -0.294) 4.686 8.314 ( -6.220 0.000 0.307) 6.228 8.699 ( 1.470 0.000 1.170) 1.878 8.703 ( 2.425 0.000 1.533) 2.869 8.863 ( 0.285 0.000 1.082) 1.119 9.053 ( 0.545 0.000 -3.941) 3.979 9.092 ( 3.598 0.000 -1.787) 4.017 9.186 ( 3.067 0.000 -0.626) 3.130 9.355 ( -2.489 0.000 -0.842) 2.627 9.427 ( -0.119 0.000 -1.424) 1.429 10.218 ( 1.803 0.000 0.415) 1.850 10.231 ( 1.735 0.000 0.515) 1.809 10.793 ( 2.829 0.000 0.455) 2.865 10.897 ( 0.083 0.000 -2.871) 2.872 11.379 ( 10.344 0.000 0.769) 10.372 11.433 ( 9.090 0.000 1.221) 9.172 11.561 ( 8.553 0.000 -0.472) 8.566 11.797 ( 5.678 0.000 -3.809) 6.837 11.859 ( 0.598 0.000 6.818) 6.844 11.964 ( -0.007 0.000 3.404) 3.404 12.473 ( -1.565 0.000 1.267) 2.014 12.548 ( -4.170 0.000 -0.705) 4.229 12.844 ( -1.066 0.000 0.981) 1.449 12.881 ( -7.186 0.000 -0.436) 7.200 12.928 ( -4.404 0.000 2.490) 5.059 13.099 ( -6.846 0.000 -1.440) 6.996 13.707 ( -2.720 0.000 3.407) 4.359 13.869 ( -5.006 0.000 0.525) 5.034 14.012 ( -0.875 0.000 -1.886) 2.079 14.265 ( -11.295 0.000 -7.157) 13.371 15.022 ( 5.006 0.000 2.761) 5.717 15.192 ( -1.535 0.000 3.247) 3.592 15.478 ( 5.403 0.000 1.027) 5.499 15.758 ( 0.479 0.000 -3.241) 3.276 16.110 ( 3.768 0.000 -6.788) 7.764 16.154 ( 5.086 0.000 -4.135) 6.555 16.462 ( 7.412 0.000 6.815) 10.069 16.648 ( 6.084 0.000 1.390) 6.241 16.761 ( 6.611 0.000 6.558) 9.312 17.248 ( -1.103 0.000 -3.556) 3.723 17.404 ( 4.339 0.000 -0.547) 4.374 17.551 ( -2.778 0.000 -2.671) 3.853 17.735 ( -8.357 0.000 3.618) 9.107 17.742 ( -0.338 0.000 1.147) 1.195 17.839 ( 4.755 0.000 -0.452) 4.777 18.142 ( -10.307 0.000 -6.479) 12.174 18.420 ( 0.895 0.000 1.190) 1.489 18.484 ( -3.169 0.000 -0.476) 3.205 19.080 ( 5.685 0.000 2.046) 6.042 19.464 ( 8.022 0.000 -8.204) 11.474 19.728 ( 6.073 0.000 0.955) 6.147 19.744 ( -1.279 0.000 2.505) 2.813 19.971 ( -0.581 0.000 1.748) 1.842 20.212 ( -2.431 0.000 -5.807) 6.296 20.497 ( -3.673 0.000 3.873) 5.338 20.542 ( -1.498 0.000 0.880) 1.737 20.730 ( -2.796 0.000 2.023) 3.451 20.880 ( -8.623 0.000 -1.818) 8.812 ======================= Grid point 49 (20/45) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -0.875 0.000 -0.311) 0.928 1.729 ( -5.753 0.000 1.312) 5.901 2.170 ( 14.172 0.000 -0.692) 14.189 2.282 ( 2.519 0.000 -2.208) 3.350 2.377 ( 3.868 0.000 -3.508) 5.222 2.451 ( 0.183 0.000 0.653) 0.678 2.502 ( 0.534 0.000 2.865) 2.914 2.602 ( -8.321 0.000 0.474) 8.335 2.678 ( 0.646 0.000 5.700) 5.737 2.755 ( -5.157 0.000 4.501) 6.845 2.809 ( -0.126 0.000 1.217) 1.223 2.882 ( -3.961 0.000 0.868) 4.055 3.064 ( 0.924 0.000 -3.320) 3.446 3.114 ( -3.591 0.000 -3.809) 5.235 3.230 ( 0.911 0.000 -7.643) 7.697 3.313 ( -3.109 0.000 -7.436) 8.060 3.405 ( -0.362 0.000 -1.273) 1.323 3.455 ( -1.604 0.000 0.398) 1.652 3.774 ( 3.682 0.000 -0.450) 3.710 3.821 ( 0.227 0.000 1.835) 1.849 3.904 ( 9.444 0.000 4.681) 10.540 3.955 ( 2.399 0.000 2.122) 3.203 4.069 ( -2.326 0.000 0.282) 2.343 4.130 ( -6.003 0.000 -0.151) 6.005 4.348 ( 8.160 0.000 4.339) 9.242 4.408 ( 1.978 0.000 -1.806) 2.678 4.514 ( 3.279 0.000 1.179) 3.485 4.611 ( -4.909 0.000 -0.506) 4.935 4.770 ( 3.056 0.000 2.654) 4.048 4.906 ( -8.311 0.000 6.238) 10.392 5.030 ( 2.583 0.000 1.694) 3.089 5.057 ( 0.874 0.000 3.065) 3.187 5.196 ( 0.391 0.000 -1.585) 1.632 5.248 ( -3.992 0.000 -2.942) 4.959 5.453 ( 5.025 0.000 -5.707) 7.604 5.510 ( 0.475 0.000 -1.793) 1.855 5.605 ( -0.401 0.000 0.197) 0.447 5.671 ( -6.705 0.000 -2.296) 7.087 5.759 ( 2.391 0.000 -0.775) 2.513 5.779 ( 0.314 0.000 -2.145) 2.168 6.666 ( 2.608 0.000 2.218) 3.423 6.697 ( 0.052 0.000 1.274) 1.275 6.874 ( 3.750 0.000 2.802) 4.681 6.901 ( 2.851 0.000 2.245) 3.628 6.960 ( -1.668 0.000 1.587) 2.302 6.987 ( -2.490 0.000 0.540) 2.548 7.218 ( 0.608 0.000 -1.015) 1.183 7.328 ( -8.705 0.000 -2.221) 8.984 7.811 ( 0.007 0.000 0.582) 0.582 7.836 ( -2.267 0.000 -0.063) 2.267 8.218 ( -2.389 0.000 0.120) 2.392 8.222 ( -2.650 0.000 0.081) 2.651 8.724 ( 1.258 0.000 2.639) 2.923 8.739 ( 0.238 0.000 3.209) 3.218 8.909 ( 4.090 0.000 -1.242) 4.275 8.999 ( -4.184 0.000 -2.662) 4.958 9.193 ( 4.767 0.000 -2.939) 5.600 9.267 ( 1.278 0.000 -1.824) 2.227 9.300 ( 0.390 0.000 -0.659) 0.766 9.387 ( -3.822 0.000 -1.366) 4.059 10.241 ( 0.707 0.000 0.561) 0.903 10.248 ( 0.093 0.000 0.493) 0.502 10.843 ( 2.257 0.000 -0.253) 2.271 10.882 ( -1.474 0.000 -1.389) 2.026 11.534 ( 4.456 0.000 1.798) 4.805 11.552 ( 2.544 0.000 2.508) 3.573 11.720 ( 6.507 0.000 -1.907) 6.781 11.812 ( -2.650 0.000 -0.947) 2.814 11.932 ( 4.504 0.000 2.282) 5.049 11.979 ( 0.103 0.000 2.066) 2.069 12.449 ( -0.545 0.000 1.380) 1.484 12.471 ( -2.813 0.000 0.710) 2.901 12.793 ( -0.703 0.000 1.459) 1.620 12.833 ( -3.328 0.000 1.836) 3.801 12.867 ( 2.204 0.000 0.585) 2.281 12.962 ( -6.313 0.000 -0.338) 6.322 13.710 ( 2.441 0.000 1.708) 2.979 13.779 ( -4.005 0.000 0.995) 4.127 14.011 ( 1.219 0.000 -4.122) 4.299 14.083 ( -6.319 0.000 -6.424) 9.011 15.103 ( 3.153 0.000 3.705) 4.865 15.155 ( -2.134 0.000 4.428) 4.916 15.600 ( 6.303 0.000 -2.107) 6.646 15.715 ( -4.516 0.000 -3.775) 5.886 16.171 ( 2.660 0.000 -3.368) 4.292 16.203 ( -0.013 0.000 -2.856) 2.856 16.640 ( 8.142 0.000 5.662) 9.917 16.727 ( 0.223 0.000 3.471) 3.478 16.914 ( 8.823 0.000 2.353) 9.132 17.115 ( -10.186 0.000 -1.307) 10.269 17.478 ( 2.411 0.000 -1.060) 2.634 17.510 ( -1.478 0.000 -1.230) 1.922 17.679 ( 3.606 0.000 -0.270) 3.616 17.771 ( 0.435 0.000 -1.928) 1.977 17.882 ( -0.416 0.000 0.587) 0.719 17.918 ( -8.700 0.000 -1.495) 8.828 18.435 ( 0.635 0.000 1.294) 1.442 18.448 ( -0.859 0.000 1.463) 1.696 19.223 ( 8.215 0.000 -2.661) 8.635 19.399 ( -8.613 0.000 -6.709) 10.917 19.832 ( 4.416 0.000 1.160) 4.565 19.871 ( 4.337 0.000 -0.488) 4.364 19.970 ( 3.752 0.000 3.584) 5.189 20.115 ( -6.823 0.000 -1.251) 6.936 20.470 ( 0.918 0.000 2.482) 2.646 20.509 ( -2.047 0.000 1.452) 2.510 20.696 ( -0.222 0.000 -0.434) 0.487 20.739 ( -4.778 0.000 -1.358) 4.967 ======================= Grid point 54 (21/45) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 20.324 18.123) 27.230 0.857 ( 0.000 21.806 18.850) 28.824 1.419 ( 0.000 31.684 30.762) 44.161 1.909 ( 0.000 1.197 -4.878) 5.023 1.977 ( 0.000 -3.225 7.362) 8.038 2.180 ( 0.000 3.893 -15.109) 15.602 2.315 ( 0.000 -13.283 2.126) 13.452 2.544 ( 0.000 -5.081 -1.353) 5.258 2.778 ( 0.000 -3.558 2.357) 4.268 2.897 ( 0.000 -3.868 -6.226) 7.329 3.034 ( 0.000 -4.969 2.350) 5.497 3.042 ( 0.000 0.701 7.676) 7.708 3.122 ( 0.000 2.191 -2.094) 3.031 3.264 ( 0.000 -4.987 4.480) 6.703 3.284 ( 0.000 6.177 4.515) 7.651 3.476 ( 0.000 -1.654 4.743) 5.024 3.531 ( 0.000 2.886 -7.669) 8.194 3.616 ( 0.000 -2.991 -1.612) 3.398 3.639 ( 0.000 -2.435 0.299) 2.454 3.819 ( 0.000 6.213 -0.102) 6.214 3.903 ( 0.000 -4.344 -5.095) 6.696 4.036 ( 0.000 -3.569 -8.059) 8.814 4.072 ( 0.000 4.612 -0.871) 4.694 4.149 ( 0.000 -4.025 -2.337) 4.654 4.260 ( 0.000 5.186 -4.273) 6.720 4.378 ( 0.000 -1.498 -10.326) 10.434 4.565 ( 0.000 1.209 0.523) 1.318 4.675 ( 0.000 -5.838 -10.026) 11.601 4.818 ( 0.000 -2.096 1.680) 2.687 4.920 ( 0.000 1.853 -1.463) 2.361 4.983 ( 0.000 1.303 2.755) 3.048 5.099 ( 0.000 -1.250 3.934) 4.128 5.220 ( 0.000 4.294 -3.207) 5.360 5.293 ( 0.000 -0.114 -0.890) 0.897 5.350 ( 0.000 -0.461 -7.363) 7.378 5.388 ( 0.000 0.284 -1.048) 1.086 5.552 ( 0.000 2.897 3.794) 4.774 5.605 ( 0.000 14.078 0.269) 14.081 5.833 ( 0.000 -4.557 2.912) 5.408 5.974 ( 0.000 0.171 0.854) 0.871 6.643 ( 0.000 -1.320 2.171) 2.540 6.696 ( 0.000 -2.079 1.492) 2.559 6.805 ( 0.000 -3.324 5.692) 6.591 6.988 ( 0.000 -3.857 -1.688) 4.210 7.112 ( 0.000 1.364 0.219) 1.381 7.235 ( 0.000 -4.496 1.284) 4.676 7.271 ( 0.000 -3.197 4.401) 5.440 7.332 ( 0.000 -3.829 2.649) 4.656 7.963 ( 0.000 -0.006 2.105) 2.105 8.151 ( 0.000 4.303 -2.421) 4.938 8.352 ( 0.000 -5.073 2.324) 5.581 8.458 ( 0.000 -4.949 0.281) 4.957 8.746 ( 0.000 2.018 -0.205) 2.028 8.816 ( 0.000 0.748 -2.268) 2.388 8.921 ( 0.000 -1.860 0.174) 1.868 8.928 ( 0.000 -0.947 -0.229) 0.974 9.042 ( 0.000 -1.038 4.278) 4.402 9.098 ( 0.000 -2.493 1.504) 2.912 9.273 ( 0.000 2.645 -3.120) 4.090 9.417 ( 0.000 -0.979 -3.632) 3.762 10.142 ( 0.000 6.818 -0.893) 6.876 10.181 ( 0.000 9.863 -6.169) 11.633 10.504 ( 0.000 -2.035 1.810) 2.724 10.625 ( 0.000 -5.772 0.879) 5.839 10.968 ( 0.000 3.584 -0.594) 3.633 11.018 ( 0.000 6.738 -5.011) 8.397 11.126 ( 0.000 -0.885 2.578) 2.725 11.421 ( 0.000 -6.454 -4.220) 7.711 11.803 ( 0.000 -0.846 10.731) 10.765 12.064 ( 0.000 -15.984 16.422) 22.916 12.450 ( 0.000 5.963 -3.040) 6.693 12.765 ( 0.000 1.202 -6.847) 6.952 13.089 ( 0.000 -0.782 2.988) 3.088 13.121 ( 0.000 -1.257 4.353) 4.531 13.396 ( 0.000 1.525 0.385) 1.572 13.454 ( 0.000 0.544 -1.398) 1.500 13.881 ( 0.000 6.908 -3.152) 7.593 14.057 ( 0.000 -1.997 -1.471) 2.480 14.564 ( 0.000 1.119 -1.827) 2.143 14.603 ( 0.000 -0.983 -2.900) 3.062 14.929 ( 0.000 -1.958 1.972) 2.779 15.149 ( 0.000 -7.426 -0.285) 7.431 15.344 ( 0.000 -5.970 2.702) 6.554 15.429 ( 0.000 -4.574 -2.630) 5.277 15.689 ( 0.000 6.061 3.434) 6.966 15.794 ( 0.000 2.392 -0.053) 2.393 16.368 ( 0.000 -2.219 1.079) 2.468 16.444 ( 0.000 -3.472 -1.396) 3.742 16.659 ( 0.000 3.261 8.386) 8.998 16.969 ( 0.000 -0.711 -3.179) 3.257 17.179 ( 0.000 -0.804 2.257) 2.395 17.455 ( 0.000 0.697 -6.134) 6.173 17.813 ( 0.000 6.257 1.485) 6.431 17.958 ( 0.000 2.341 -1.646) 2.862 18.033 ( 0.000 1.251 -1.205) 1.737 18.107 ( 0.000 -1.142 -0.621) 1.300 18.400 ( 0.000 4.677 0.103) 4.678 18.554 ( 0.000 11.168 -10.253) 15.161 18.915 ( 0.000 0.069 -3.761) 3.762 18.977 ( 0.000 -8.368 4.123) 9.329 19.424 ( 0.000 9.331 8.472) 12.603 19.865 ( 0.000 -2.111 1.155) 2.406 20.089 ( 0.000 4.346 -9.254) 10.223 20.162 ( 0.000 1.490 -8.379) 8.510 20.583 ( 0.000 -0.357 2.149) 2.178 20.678 ( 0.000 -3.391 2.390) 4.149 21.128 ( 0.000 -7.452 5.713) 9.390 21.200 ( 0.000 -4.106 1.114) 4.255 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.11 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 13.209 15.085 14.878) 24.968 1.017 ( 14.893 14.020 18.032) 27.267 1.739 ( 24.097 20.409 18.148) 36.421 1.935 ( 2.958 -3.144 2.352) 4.916 2.064 ( 7.440 2.282 -0.801) 7.823 2.215 ( 3.317 5.011 -11.835) 13.274 2.352 ( 3.290 -14.463 1.861) 14.948 2.585 ( 3.733 -5.819 -1.779) 7.139 2.768 ( -1.243 -2.970 0.430) 3.248 2.875 ( -3.550 3.128 -2.040) 5.153 2.954 ( -2.325 -6.112 3.045) 7.214 3.057 ( 0.374 -2.408 0.879) 2.590 3.117 ( -0.938 3.672 0.598) 3.837 3.232 ( -3.404 -3.647 3.462) 6.072 3.275 ( -0.614 3.960 1.095) 4.154 3.411 ( -3.950 0.428 4.853) 6.272 3.519 ( -1.722 1.933 -3.973) 4.742 3.585 ( -2.292 0.117 -1.286) 2.631 3.658 ( 0.936 -4.312 -0.846) 4.493 3.754 ( -4.602 5.442 -0.928) 7.187 3.886 ( -3.782 -4.818 -4.391) 7.536 4.008 ( -1.671 -0.478 -6.904) 7.120 4.079 ( 1.490 -0.892 1.472) 2.276 4.177 ( 0.988 0.539 -2.905) 3.115 4.241 ( -1.111 3.791 -2.432) 4.639 4.371 ( -1.391 0.431 -9.634) 9.743 4.567 ( 0.115 0.801 -0.966) 1.260 4.678 ( 0.503 -3.467 -6.622) 7.492 4.839 ( 2.102 -4.848 -0.277) 5.291 4.926 ( 1.371 3.193 1.267) 3.699 5.027 ( -0.052 0.052 2.983) 2.984 5.096 ( 0.704 -0.229 1.637) 1.797 5.152 ( -2.461 1.631 0.135) 2.955 5.278 ( 0.328 -0.125 -3.629) 3.646 5.405 ( 1.544 1.957 -1.036) 2.699 5.420 ( 2.467 -1.593 -2.132) 3.629 5.557 ( 0.250 1.323 3.279) 3.545 5.597 ( -0.084 9.604 -1.557) 9.729 5.774 ( -4.026 -1.443 5.883) 7.273 6.072 ( 4.258 -3.227 -4.375) 6.905 6.619 ( -1.958 -0.609 2.771) 3.447 6.671 ( -1.503 -1.201 1.543) 2.467 6.825 ( 0.486 -1.744 4.897) 5.221 6.917 ( -7.409 -3.481 1.791) 8.380 7.029 ( -4.343 2.716 1.136) 5.247 7.085 ( -3.096 2.742 0.361) 4.151 7.346 ( 1.351 -5.627 2.344) 6.244 7.461 ( 7.242 -6.060 0.191) 9.445 7.946 ( -1.772 0.236 2.073) 2.737 8.113 ( -3.514 3.932 -1.762) 5.560 8.320 ( -2.635 -5.940 3.046) 7.176 8.454 ( -1.127 -5.453 0.133) 5.570 8.694 ( -2.861 1.446 -0.026) 3.206 8.755 ( -3.971 0.563 -1.041) 4.144 8.909 ( 0.733 -1.348 -0.965) 1.813 8.945 ( -1.204 -1.226 -1.578) 2.332 9.051 ( 1.149 -0.049 3.338) 3.530 9.110 ( 1.479 -1.440 1.079) 2.329 9.316 ( 3.011 1.022 -2.311) 3.931 9.422 ( 0.446 -0.054 -3.293) 3.323 10.180 ( 3.381 7.470 -0.626) 8.223 10.216 ( 3.776 10.075 -2.082) 10.959 10.598 ( 5.492 -1.920 0.482) 5.838 10.734 ( 7.566 -5.623 -2.896) 9.862 11.018 ( 5.133 3.647 -0.435) 6.312 11.072 ( 6.112 4.225 -2.090) 7.719 11.230 ( 7.722 -1.552 -1.556) 8.028 11.468 ( 5.018 -6.521 -5.013) 9.635 11.813 ( 0.903 -0.718 10.355) 10.419 12.040 ( -2.006 -10.564 14.404) 17.975 12.425 ( -2.153 2.166 -2.394) 3.881 12.740 ( -2.558 0.623 -7.160) 7.628 13.065 ( -2.551 -1.066 2.431) 3.682 13.070 ( -5.801 -1.320 6.840) 9.065 13.216 ( -9.618 7.869 0.137) 12.428 13.382 ( -6.273 -0.079 -2.020) 6.590 13.916 ( -0.967 0.893 -0.016) 1.316 14.014 ( -2.355 0.219 -2.608) 3.521 14.341 ( -13.480 3.979 2.867) 14.344 14.681 ( -3.705 -5.164 -6.376) 9.002 14.817 ( 0.019 3.917 5.852) 7.042 15.200 ( 1.435 -1.619 -3.385) 4.017 15.286 ( -0.070 -5.555 3.319) 6.471 15.541 ( 6.281 -6.826 -2.206) 9.535 15.823 ( 7.323 5.911 0.835) 9.448 15.905 ( 9.342 -1.316 -3.836) 10.184 16.395 ( 0.651 -2.152 1.875) 2.928 16.472 ( 3.097 -2.930 -0.457) 4.288 16.663 ( 0.996 5.903 5.305) 7.998 17.029 ( 5.460 -0.953 -4.092) 6.890 17.211 ( 2.396 -0.461 2.913) 3.800 17.459 ( 2.449 -2.391 -3.737) 5.068 17.769 ( -2.367 5.028 1.191) 5.683 17.880 ( -4.577 3.307 -0.671) 5.686 18.092 ( -1.781 -3.461 -0.272) 3.901 18.134 ( 1.928 -5.874 -1.605) 6.387 18.443 ( 3.012 5.204 0.305) 6.021 18.613 ( 4.022 6.765 -8.781) 11.792 18.929 ( 2.506 -2.785 1.786) 4.150 19.003 ( 2.690 -2.659 -1.515) 4.074 19.483 ( 5.299 6.736 6.306) 10.640 19.877 ( 0.735 -2.260 1.488) 2.803 20.075 ( -2.828 2.906 -7.707) 8.708 20.164 ( 1.584 1.247 -9.806) 10.011 20.580 ( -0.429 -0.520 1.795) 1.918 20.647 ( -2.898 -3.240 3.023) 5.294 20.990 ( -8.806 -0.487 7.234) 11.407 21.174 ( -4.711 -4.936 -0.853) 6.876 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.22 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 21.686 3.406 8.170) 23.423 1.375 ( 18.910 9.364 10.889) 23.745 2.008 ( 5.572 -5.955 5.649) 9.920 2.096 ( 4.109 5.154 -4.567) 8.019 2.117 ( -0.386 -2.904 -2.591) 3.911 2.421 ( 6.072 -12.193 1.449) 13.698 2.488 ( 17.898 7.284 1.724) 19.400 2.592 ( -2.532 -3.441 -0.387) 4.290 2.742 ( -5.363 0.480 -1.382) 5.559 2.845 ( 4.388 -1.634 -1.614) 4.952 2.943 ( -0.953 -0.978 1.222) 1.832 3.045 ( -3.787 0.480 -4.250) 5.713 3.099 ( 0.874 3.882 -0.924) 4.085 3.117 ( -3.475 -0.459 2.149) 4.112 3.258 ( -2.147 0.627 -2.084) 3.057 3.378 ( 0.023 3.866 6.034) 7.166 3.483 ( -0.617 1.978 -0.545) 2.143 3.545 ( -2.005 -0.099 0.839) 2.175 3.597 ( -6.765 -1.854 -2.693) 7.513 3.707 ( -0.983 1.815 4.657) 5.094 3.803 ( -1.041 -3.890 -6.380) 7.544 3.980 ( -1.388 1.127 -4.830) 5.150 4.121 ( 2.400 -4.850 1.229) 5.549 4.156 ( -1.462 4.351 2.270) 5.121 4.240 ( 0.038 0.542 -4.976) 5.005 4.335 ( -1.686 1.135 -1.777) 2.700 4.554 ( -1.437 0.842 -2.997) 3.428 4.693 ( 0.606 -1.730 -3.356) 3.824 4.884 ( 0.583 -2.950 0.786) 3.108 4.956 ( 0.922 4.736 2.186) 5.297 4.983 ( -1.022 3.739 1.894) 4.314 5.105 ( 0.772 1.501 2.032) 2.642 5.157 ( 1.040 -2.188 -0.413) 2.457 5.300 ( 0.373 -0.097 -3.027) 3.051 5.429 ( 1.013 2.177 -1.247) 2.705 5.469 ( 3.513 -3.045 0.109) 4.651 5.547 ( -1.508 0.397 1.105) 1.912 5.610 ( 0.818 0.456 -0.708) 1.174 5.691 ( -3.205 0.622 3.113) 4.511 6.048 ( -6.465 -3.525 -3.850) 8.309 6.587 ( -0.220 -0.186 2.930) 2.944 6.671 ( 1.379 2.004 -0.046) 2.433 6.790 ( -2.765 -0.869 2.577) 3.879 6.819 ( -0.485 -0.048 3.104) 3.142 7.004 ( -0.136 0.783 1.315) 1.537 7.062 ( -0.007 2.527 -0.079) 2.528 7.340 ( -2.329 -4.125 1.687) 5.028 7.535 ( -0.323 -6.239 -1.191) 6.360 7.896 ( -2.891 0.375 2.001) 3.536 8.023 ( -4.942 3.328 -0.908) 6.027 8.260 ( -3.235 -8.081 2.127) 8.961 8.384 ( -5.705 -5.508 -0.301) 7.936 8.673 ( 0.813 1.224 -0.006) 1.470 8.712 ( 0.003 1.508 -0.139) 1.514 8.896 ( -1.438 0.545 0.579) 1.643 8.963 ( 3.514 -1.660 -2.844) 4.816 9.085 ( 1.569 0.887 0.157) 1.810 9.143 ( 1.648 -0.157 0.503) 1.730 9.359 ( 0.836 -0.736 -1.427) 1.810 9.435 ( 0.596 0.770 -2.365) 2.557 10.252 ( 3.168 7.449 0.175) 8.096 10.293 ( 3.074 9.782 -0.762) 10.282 10.699 ( 4.218 -2.093 1.017) 4.818 10.837 ( 2.725 -3.583 -3.273) 5.566 11.183 ( 10.407 2.656 0.078) 10.740 11.246 ( 10.313 2.483 -0.374) 10.615 11.385 ( 8.178 -1.000 -1.244) 8.332 11.609 ( 7.847 -4.710 -5.124) 10.489 11.837 ( 1.379 -0.320 9.292) 9.399 12.005 ( -1.011 -2.100 8.776) 9.080 12.379 ( -1.998 -4.168 -0.591) 4.660 12.651 ( -6.458 -1.791 -5.891) 8.923 12.926 ( -5.741 0.823 5.372) 7.905 13.001 ( -3.869 -1.003 2.182) 4.553 13.080 ( -5.888 5.118 -0.554) 7.822 13.243 ( -6.865 0.168 -2.708) 7.382 13.823 ( -6.105 0.878 3.198) 6.947 13.978 ( -2.779 -0.317 -1.570) 3.207 14.101 ( -8.855 4.012 1.810) 9.888 14.475 ( -12.416 -3.907 -6.249) 14.439 14.924 ( 6.420 2.469 3.350) 7.651 15.205 ( -0.379 -1.570 1.622) 2.289 15.343 ( 4.595 -2.108 1.026) 5.158 15.658 ( 4.968 -5.467 -3.268) 8.078 15.991 ( 8.335 2.667 -2.464) 9.092 16.083 ( 8.827 3.873 -3.961) 10.421 16.415 ( 1.706 -0.993 1.929) 2.761 16.509 ( 1.299 -0.274 1.893) 2.312 16.725 ( 4.992 6.397 4.327) 9.196 17.156 ( 5.968 -1.951 -3.989) 7.439 17.271 ( 3.207 -2.879 2.586) 5.026 17.514 ( 1.444 -7.113 -2.887) 7.811 17.752 ( 0.776 2.981 0.430) 3.110 17.802 ( -2.832 2.521 0.141) 3.794 17.972 ( -8.494 -0.071 1.378) 8.606 18.125 ( -2.939 -8.570 -2.446) 9.384 18.475 ( 0.590 4.499 0.715) 4.594 18.650 ( -1.076 5.664 -6.049) 8.356 18.971 ( 1.623 -2.951 5.294) 6.275 19.159 ( 12.195 -1.738 -3.224) 12.734 19.612 ( 6.835 2.767 2.792) 7.885 19.856 ( -3.607 -1.344 0.313) 3.862 20.014 ( -1.657 3.330 -3.203) 4.909 20.202 ( 1.271 -0.988 -8.857) 9.002 20.559 ( -2.224 -1.056 2.128) 3.254 20.577 ( -3.002 -1.325 3.142) 4.543 20.838 ( -6.132 1.977 4.227) 7.705 21.031 ( -8.519 -3.173 -1.721) 9.252 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 11.699 3.630 1.956) 12.404 1.745 ( 16.094 0.585 4.410) 16.697 1.942 ( -6.218 -0.065 2.804) 6.821 2.138 ( 6.136 -3.719 1.148) 7.267 2.241 ( 5.963 -2.292 0.979) 6.463 2.463 ( -2.122 -4.929 -3.192) 6.244 2.541 ( -1.468 -0.447 -4.463) 4.720 2.570 ( -2.274 -3.804 0.761) 4.496 2.743 ( -4.137 1.949 1.618) 4.851 2.835 ( 0.059 0.350 0.958) 1.022 2.929 ( -4.442 -1.139 -0.379) 4.601 2.989 ( -0.772 -0.514 -2.425) 2.596 3.030 ( -3.635 -1.857 -3.103) 5.128 3.200 ( -2.642 2.548 -1.767) 4.073 3.233 ( 3.029 4.784 -4.629) 7.314 3.366 ( -3.953 1.586 -3.244) 5.354 3.413 ( 1.219 1.886 4.572) 5.093 3.510 ( 0.120 -1.075 0.221) 1.104 3.614 ( 7.101 -0.266 2.042) 7.393 3.738 ( 5.181 5.042 5.961) 9.370 3.817 ( 0.640 -3.360 -1.948) 3.936 3.957 ( -0.590 1.027 -2.522) 2.786 4.137 ( -1.035 -1.122 0.085) 1.529 4.177 ( 1.023 0.812 1.571) 2.042 4.222 ( 1.994 -1.023 1.829) 2.893 4.334 ( 1.091 1.108 -0.076) 1.557 4.509 ( -2.911 1.395 -0.361) 3.248 4.687 ( -1.933 -0.988 -4.012) 4.561 4.837 ( -2.022 3.023 2.988) 4.707 4.986 ( 0.982 3.294 3.472) 4.886 5.004 ( 1.395 1.189 0.867) 2.028 5.124 ( 1.278 4.439 0.776) 4.684 5.181 ( 0.634 -0.697 -1.200) 1.525 5.284 ( -1.414 -0.323 -1.871) 2.367 5.428 ( -0.707 0.754 -2.347) 2.565 5.492 ( -2.541 -1.597 0.783) 3.101 5.564 ( 3.596 -5.786 0.458) 6.827 5.607 ( 0.227 -1.749 0.095) 1.766 5.689 ( 1.728 -1.489 -1.400) 2.676 5.872 ( -9.254 -2.452 -3.752) 10.282 6.620 ( 3.237 0.998 2.665) 4.310 6.719 ( 3.243 3.532 0.307) 4.805 6.785 ( 1.573 -1.156 1.942) 2.753 6.846 ( 2.966 0.435 1.090) 3.189 6.989 ( -1.466 0.045 2.533) 2.927 7.055 ( -1.175 2.809 -0.114) 3.048 7.259 ( -4.924 -2.625 1.211) 5.710 7.456 ( -6.712 -4.586 -1.992) 8.369 7.843 ( -1.941 0.709 1.433) 2.515 7.927 ( -4.376 2.580 -0.408) 5.097 8.193 ( -3.210 -7.724 0.923) 8.415 8.259 ( -5.806 -4.945 -0.191) 7.629 8.714 ( 2.656 1.897 0.997) 3.413 8.736 ( 1.848 2.177 1.023) 3.033 8.891 ( 0.945 2.044 1.190) 2.547 9.052 ( 4.399 -1.725 -3.500) 5.880 9.096 ( -0.385 1.488 -1.284) 2.003 9.187 ( 3.188 0.385 -1.083) 3.389 9.345 ( -2.110 -0.898 -0.645) 2.382 9.433 ( -1.106 -0.165 -1.957) 2.254 10.299 ( 1.552 7.185 0.501) 7.368 10.332 ( 0.825 8.586 -0.159) 8.627 10.764 ( 2.391 -2.821 0.661) 3.756 10.861 ( -0.008 -3.419 -2.312) 4.127 11.395 ( 9.680 1.289 0.790) 9.797 11.445 ( 8.301 0.930 2.304) 8.665 11.571 ( 9.466 0.989 -2.398) 9.815 11.753 ( 5.725 -3.275 -2.872) 7.194 11.869 ( 2.099 0.904 7.265) 7.616 12.003 ( 0.612 2.757 2.826) 3.995 12.354 ( -0.530 -7.711 1.092) 7.806 12.496 ( -7.890 -5.419 -1.834) 9.745 12.858 ( -1.393 1.078 2.041) 2.696 12.916 ( -4.253 1.374 0.890) 4.557 12.965 ( -5.053 3.806 0.744) 6.370 13.106 ( -6.880 0.369 -1.629) 7.080 13.725 ( -2.776 1.785 3.280) 4.654 13.880 ( -5.580 0.205 0.561) 5.612 14.007 ( -1.933 0.328 -1.921) 2.745 14.234 ( -10.849 -2.889 -6.652) 13.050 15.039 ( 4.806 1.601 3.348) 6.072 15.193 ( -0.804 -0.293 4.414) 4.496 15.448 ( 5.671 -1.489 -0.495) 5.884 15.718 ( 0.484 -4.233 -3.915) 5.786 16.133 ( 5.820 2.356 -3.140) 7.020 16.234 ( 4.428 6.837 -6.440) 10.384 16.478 ( 5.567 0.244 5.018) 7.499 16.575 ( 4.910 -4.191 3.132) 7.175 16.848 ( 6.927 6.438 3.430) 10.059 17.214 ( -1.212 -2.657 -3.814) 4.803 17.338 ( 3.895 -4.730 2.240) 6.524 17.546 ( 2.732 -3.264 -2.475) 4.924 17.714 ( -3.744 -0.327 1.181) 3.939 17.780 ( -5.005 2.270 1.858) 5.802 17.833 ( -0.568 -0.207 -1.183) 1.329 18.016 ( -7.610 -7.207 -2.800) 10.849 18.489 ( 0.952 4.740 1.065) 4.950 18.600 ( -2.769 8.356 -1.072) 8.868 19.034 ( 4.747 -3.617 1.689) 6.203 19.365 ( 4.534 -7.686 -5.928) 10.713 19.742 ( 5.703 1.327 1.434) 6.029 19.795 ( 0.849 2.486 1.050) 2.829 20.003 ( -0.185 3.129 0.551) 3.182 20.197 ( -1.986 -1.330 -5.150) 5.678 20.496 ( -2.522 0.154 3.530) 4.341 20.541 ( -1.451 -0.173 1.255) 1.926 20.738 ( -3.811 0.754 1.140) 4.048 20.858 ( -8.050 -1.922 -1.764) 8.462 ======================= Grid point 58 (25/45) ======================= q-point: ( 0.44 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -1.352 2.479 1.229) 3.080 1.757 ( -4.627 2.685 0.995) 5.441 2.132 ( 12.106 -3.831 0.039) 12.698 2.243 ( 2.244 -3.719 -0.739) 4.406 2.370 ( 6.673 -1.301 2.054) 7.103 2.413 ( 0.382 1.413 -3.768) 4.042 2.523 ( -2.506 -0.303 -1.009) 2.719 2.594 ( -1.609 -1.654 -1.098) 2.556 2.653 ( 2.123 -0.721 3.081) 3.810 2.786 ( -4.643 0.465 2.999) 5.547 2.815 ( -4.454 1.762 3.413) 5.881 2.880 ( -5.339 -1.645 -0.152) 5.588 3.013 ( 0.027 -2.569 -3.674) 4.483 3.072 ( -6.323 -0.721 -0.922) 6.431 3.288 ( 3.911 4.452 -6.039) 8.461 3.353 ( -0.545 2.337 -3.522) 4.262 3.452 ( 1.191 2.886 -2.111) 3.768 3.495 ( -1.508 3.119 -0.926) 3.586 3.740 ( 4.079 -2.556 1.717) 5.111 3.793 ( -1.028 -2.916 0.091) 3.093 3.902 ( 5.524 0.141 5.425) 7.744 3.953 ( -0.358 -1.388 2.163) 2.595 4.108 ( 1.275 3.973 -1.812) 4.549 4.186 ( -3.335 4.087 -2.011) 5.646 4.319 ( 5.300 -3.095 1.742) 6.380 4.353 ( 1.538 -2.255 1.423) 3.078 4.490 ( 2.817 -0.887 2.153) 3.655 4.606 ( -5.680 0.075 0.896) 5.750 4.848 ( 2.659 5.009 1.848) 5.965 4.940 ( -5.367 2.284 4.422) 7.320 5.049 ( 3.804 0.962 1.033) 4.057 5.130 ( -3.046 4.294 2.256) 5.727 5.187 ( 2.199 1.046 -1.384) 2.801 5.243 ( -2.806 0.741 -0.705) 2.987 5.440 ( 2.695 -1.257 -4.804) 5.650 5.477 ( -0.050 -2.828 -1.596) 3.247 5.578 ( 0.258 -2.359 -0.100) 2.376 5.624 ( -2.876 -4.136 -1.881) 5.377 5.706 ( 1.338 -3.668 -1.063) 4.047 5.746 ( -2.396 -3.492 -2.866) 5.114 6.700 ( 4.112 2.759 2.683) 5.632 6.755 ( -0.657 4.462 0.993) 4.618 6.854 ( 4.688 -1.451 2.225) 5.389 6.917 ( 3.581 0.378 0.730) 3.674 6.941 ( -3.064 -0.541 3.294) 4.531 7.006 ( -3.732 2.162 0.151) 4.315 7.203 ( 1.089 -1.625 -1.051) 2.221 7.302 ( -7.465 -2.564 -2.130) 8.175 7.827 ( 0.367 1.587 0.603) 1.737 7.856 ( -2.490 2.091 -0.018) 3.252 8.145 ( -0.974 -5.865 0.459) 5.963 8.167 ( -3.070 -4.801 0.115) 5.699 8.756 ( 1.401 2.801 2.405) 3.949 8.767 ( 0.566 2.423 2.789) 3.737 8.940 ( 3.954 2.491 -0.950) 4.769 9.028 ( -4.062 2.202 -2.462) 5.236 9.170 ( 5.134 -1.823 -2.125) 5.848 9.252 ( -0.497 -0.965 -2.449) 2.679 9.302 ( 1.339 -0.405 -0.510) 1.489 9.382 ( -3.857 -0.758 -1.800) 4.324 10.321 ( 0.796 7.113 0.509) 7.175 10.334 ( -0.408 7.562 0.256) 7.577 10.807 ( 2.005 -3.481 -0.071) 4.017 10.844 ( -1.527 -3.655 -1.111) 4.114 11.542 ( 4.290 0.794 1.787) 4.714 11.559 ( 2.628 0.650 2.714) 3.834 11.730 ( 5.929 0.608 -2.184) 6.347 11.803 ( -0.970 -1.186 -1.137) 1.909 11.941 ( 4.576 1.338 3.332) 5.817 12.008 ( -1.181 2.735 1.065) 3.163 12.349 ( 0.001 -8.301 1.082) 8.371 12.376 ( -3.317 -6.890 0.464) 7.661 12.844 ( -0.667 2.980 1.230) 3.293 12.859 ( -1.324 1.890 1.697) 2.864 12.900 ( 0.206 2.798 0.556) 2.860 12.974 ( -5.748 0.883 -0.271) 5.822 13.719 ( 1.841 0.855 1.762) 2.688 13.782 ( -4.083 0.111 1.018) 4.210 13.994 ( 0.877 -1.272 -3.818) 4.119 14.060 ( -5.982 -2.019 -5.817) 8.585 15.119 ( 3.141 1.440 4.059) 5.331 15.168 ( -1.800 1.115 4.742) 5.193 15.568 ( 6.022 -2.630 -2.167) 6.920 15.676 ( -4.200 -3.614 -3.545) 6.577 16.225 ( 3.147 4.423 -2.505) 5.979 16.262 ( -0.620 5.899 -4.009) 7.159 16.611 ( 5.547 -2.505 4.307) 7.456 16.653 ( 1.548 -5.175 2.996) 6.176 16.994 ( 7.293 5.652 1.198) 9.304 17.132 ( -5.986 1.162 -1.291) 6.233 17.432 ( 5.453 -3.540 0.342) 6.511 17.544 ( -4.756 0.243 -1.328) 4.944 17.677 ( 1.796 0.166 0.040) 1.804 17.723 ( -0.768 -3.177 -0.270) 3.279 17.816 ( -1.405 -5.113 -0.984) 5.393 17.868 ( -5.351 -2.043 -0.737) 5.775 18.516 ( 1.696 6.443 1.474) 6.823 18.554 ( -1.979 8.269 1.221) 8.590 19.158 ( 7.273 -5.657 -2.481) 9.542 19.311 ( -7.064 -7.541 -5.639) 11.771 19.845 ( 4.352 1.139 1.649) 4.792 19.880 ( 2.788 0.556 0.999) 3.014 20.014 ( 3.042 3.543 0.897) 4.755 20.121 ( -5.344 0.403 -1.781) 5.648 20.478 ( 0.744 0.688 2.545) 2.740 20.510 ( -1.787 0.107 1.744) 2.499 20.690 ( -0.656 -0.503 -0.712) 1.091 20.726 ( -4.447 -1.125 -1.469) 4.817 ======================= Grid point 63 (26/45) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 19.959 16.015) 25.590 1.351 ( 0.000 21.613 10.570) 24.060 1.649 ( 0.000 -13.467 16.816) 21.544 1.872 ( 0.000 -20.656 6.656) 21.702 2.136 ( 0.000 26.092 3.293) 26.298 2.162 ( 0.000 13.116 -8.022) 15.375 2.387 ( 0.000 -5.182 -7.768) 9.338 2.433 ( 0.000 9.390 -4.500) 10.412 2.572 ( 0.000 -14.508 -3.784) 14.994 2.720 ( 0.000 -12.113 1.266) 12.179 2.983 ( 0.000 -0.660 5.059) 5.102 3.027 ( 0.000 -3.797 6.082) 7.170 3.209 ( 0.000 4.811 0.928) 4.900 3.233 ( 0.000 6.380 -0.498) 6.400 3.393 ( 0.000 -1.899 -0.800) 2.061 3.415 ( 0.000 -3.164 1.306) 3.423 3.481 ( 0.000 1.551 5.580) 5.792 3.589 ( 0.000 -0.396 -1.106) 1.175 3.681 ( 0.000 -2.866 0.767) 2.967 3.759 ( 0.000 -6.796 -2.029) 7.093 3.919 ( 0.000 1.482 1.623) 2.197 4.007 ( 0.000 -6.407 4.131) 7.624 4.052 ( 0.000 6.084 -9.940) 11.654 4.105 ( 0.000 0.398 -4.344) 4.362 4.306 ( 0.000 1.072 -12.609) 12.655 4.432 ( 0.000 4.315 -7.265) 8.450 4.478 ( 0.000 -6.096 -8.266) 10.271 4.568 ( 0.000 -3.697 -4.020) 5.461 4.893 ( 0.000 6.379 3.675) 7.362 4.978 ( 0.000 2.229 1.052) 2.465 5.009 ( 0.000 -0.397 0.831) 0.921 5.044 ( 0.000 -3.336 3.414) 4.773 5.262 ( 0.000 1.019 -3.376) 3.526 5.281 ( 0.000 -1.228 -5.141) 5.286 5.341 ( 0.000 1.813 -2.765) 3.307 5.396 ( 0.000 -1.998 -1.722) 2.638 5.604 ( 0.000 4.025 8.126) 9.069 5.716 ( 0.000 -5.113 5.000) 7.151 5.864 ( 0.000 7.604 -0.616) 7.629 5.960 ( 0.000 -1.872 0.884) 2.071 6.644 ( 0.000 1.596 -0.589) 1.701 6.665 ( 0.000 -0.561 -0.159) 0.583 6.803 ( 0.000 1.489 3.746) 4.031 6.878 ( 0.000 -5.644 2.313) 6.100 7.129 ( 0.000 0.846 0.184) 0.866 7.162 ( 0.000 -2.102 0.322) 2.127 7.217 ( 0.000 -0.882 2.141) 2.315 7.253 ( 0.000 -3.551 0.364) 3.570 8.033 ( 0.000 6.347 2.558) 6.843 8.199 ( 0.000 -8.159 1.939) 8.386 8.251 ( 0.000 4.348 -3.229) 5.416 8.349 ( 0.000 -4.818 -1.745) 5.124 8.810 ( 0.000 3.149 -0.300) 3.163 8.840 ( 0.000 1.204 -1.113) 1.639 8.876 ( 0.000 -1.127 0.396) 1.195 8.910 ( 0.000 -1.672 -1.456) 2.217 9.020 ( 0.000 -0.599 4.760) 4.797 9.038 ( 0.000 -2.397 4.423) 5.030 9.335 ( 0.000 2.858 -3.678) 4.658 9.387 ( 0.000 -1.963 -3.808) 4.285 10.290 ( 0.000 6.068 -0.865) 6.129 10.331 ( 0.000 3.751 -3.900) 5.411 10.458 ( 0.000 -1.265 1.383) 1.875 10.514 ( 0.000 -4.987 0.076) 4.988 11.045 ( 0.000 3.115 0.075) 3.116 11.092 ( 0.000 -1.286 0.870) 1.553 11.157 ( 0.000 5.676 -4.365) 7.161 11.285 ( 0.000 -6.211 -3.770) 7.266 11.798 ( 0.000 0.735 12.184) 12.206 11.856 ( 0.000 -5.344 13.858) 14.853 12.604 ( 0.000 7.612 -7.714) 10.838 12.738 ( 0.000 -4.087 -9.411) 10.260 13.067 ( 0.000 -0.247 6.132) 6.137 13.087 ( 0.000 -1.690 7.420) 7.610 13.432 ( 0.000 1.625 0.145) 1.632 13.456 ( 0.000 -0.514 -0.483) 0.705 13.974 ( 0.000 2.953 -0.664) 3.027 14.024 ( 0.000 -1.664 -1.146) 2.021 14.581 ( 0.000 0.348 -4.291) 4.305 14.587 ( 0.000 -0.377 -4.837) 4.851 14.917 ( 0.000 1.246 2.634) 2.913 14.992 ( 0.000 -5.865 2.832) 6.513 15.301 ( 0.000 0.404 -2.603) 2.635 15.342 ( 0.000 -3.294 -3.831) 5.052 15.796 ( 0.000 3.347 1.760) 3.781 15.825 ( 0.000 0.344 0.894) 0.958 16.349 ( 0.000 0.160 0.150) 0.219 16.376 ( 0.000 -2.422 -0.702) 2.522 16.755 ( 0.000 5.723 6.250) 8.474 16.888 ( 0.000 -6.202 2.000) 6.517 17.243 ( 0.000 6.015 0.079) 6.015 17.380 ( 0.000 -6.059 -3.776) 7.139 17.965 ( 0.000 5.970 0.185) 5.973 17.998 ( 0.000 2.047 0.260) 2.063 18.025 ( 0.000 -1.342 -0.265) 1.368 18.067 ( 0.000 -2.848 -0.386) 2.874 18.552 ( 0.000 9.132 1.912) 9.330 18.690 ( 0.000 1.329 -0.022) 1.329 18.813 ( 0.000 -5.093 -0.305) 5.102 18.859 ( 0.000 -4.723 -1.744) 5.034 19.629 ( 0.000 9.126 4.850) 10.334 19.786 ( 0.000 -5.506 2.476) 6.037 20.160 ( 0.000 2.301 -10.356) 10.609 20.184 ( 0.000 0.122 -9.700) 9.700 20.582 ( 0.000 0.515 2.748) 2.796 20.612 ( 0.000 -2.358 3.768) 4.445 21.059 ( 0.000 0.187 1.805) 1.814 21.109 ( 0.000 -3.926 0.439) 3.950 ======================= Grid point 64 (27/45) ======================= q-point: ( 0.11 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 6.262 18.991 14.705) 24.821 1.389 ( 6.735 20.504 10.205) 23.873 1.690 ( 3.832 -13.338 16.082) 21.241 1.899 ( 2.113 -22.024 5.858) 22.887 2.169 ( 3.302 12.882 -7.554) 15.295 2.261 ( 6.315 15.024 -3.803) 16.735 2.384 ( 1.184 -4.460 -6.809) 8.225 2.504 ( 5.671 3.416 -3.538) 7.506 2.618 ( 4.750 -7.320 -2.982) 9.221 2.764 ( 3.957 -9.272 0.092) 10.082 2.935 ( -4.239 1.345 5.230) 6.865 2.996 ( -2.763 -4.207 7.364) 8.920 3.207 ( -0.089 6.539 -0.866) 6.596 3.267 ( 2.717 6.556 -0.721) 7.133 3.335 ( -4.877 -0.662 -0.768) 4.981 3.415 ( 0.224 -2.269 5.650) 6.093 3.482 ( 0.631 0.224 1.144) 1.326 3.567 ( -1.669 0.432 -0.716) 1.867 3.678 ( -1.149 -2.115 -1.486) 2.829 3.732 ( -3.071 -6.019 -4.179) 7.945 3.889 ( -3.308 3.507 1.988) 5.215 3.971 ( -1.670 -2.597 -1.636) 3.494 4.036 ( -0.542 1.164 -1.998) 2.375 4.127 ( 1.101 -3.900 -3.577) 5.405 4.341 ( 2.406 2.269 -9.427) 9.991 4.415 ( -2.645 5.857 -3.713) 7.422 4.498 ( 2.466 -5.515 -7.546) 9.666 4.567 ( -0.186 -4.868 -3.309) 5.889 4.875 ( -0.677 5.780 2.204) 6.223 4.990 ( -0.246 -2.755 1.100) 2.977 5.018 ( 1.763 2.208 1.227) 3.081 5.061 ( 2.546 -1.431 1.347) 3.217 5.222 ( -2.595 3.361 -0.995) 4.361 5.271 ( 0.102 -0.667 -2.779) 2.859 5.388 ( 1.948 -0.695 -1.209) 2.396 5.411 ( 0.944 -2.275 -0.317) 2.484 5.586 ( -1.208 3.731 5.809) 7.008 5.678 ( -2.803 -3.073 3.243) 5.274 5.853 ( -1.737 7.966 -0.985) 8.212 5.989 ( 0.908 -4.726 -2.149) 5.270 6.627 ( -1.575 1.844 1.517) 2.861 6.664 ( 0.187 -0.554 -0.260) 0.640 6.807 ( -0.032 -0.413 2.838) 2.868 6.830 ( -3.505 -3.369 3.148) 5.792 7.081 ( -2.827 2.714 1.138) 4.081 7.127 ( -2.035 0.017 0.984) 2.261 7.250 ( 2.121 -1.297 0.393) 2.517 7.321 ( 4.454 -6.276 -0.689) 7.727 8.013 ( -2.156 5.773 2.733) 6.741 8.149 ( -4.369 -4.808 1.869) 6.759 8.234 ( -2.243 2.077 -1.744) 3.519 8.329 ( -2.159 -5.561 -1.429) 6.134 8.738 ( -3.939 2.366 0.327) 4.606 8.772 ( -3.859 0.011 -0.102) 3.860 8.879 ( 0.531 -0.100 -1.221) 1.335 8.912 ( -0.761 -2.008 -2.130) 3.025 9.056 ( 2.603 0.465 3.866) 4.684 9.075 ( 3.091 -1.434 3.456) 4.853 9.351 ( 1.237 2.175 -3.158) 4.029 9.398 ( 0.975 -1.959 -3.419) 4.059 10.340 ( 4.191 6.773 -0.598) 7.987 10.392 ( 5.295 4.321 -2.858) 7.408 10.551 ( 6.015 -1.128 0.779) 6.170 10.616 ( 8.184 -5.358 -1.212) 9.856 11.092 ( 4.924 3.236 0.246) 5.897 11.140 ( 4.885 -0.129 0.619) 4.926 11.223 ( 6.315 2.949 -4.649) 8.378 11.330 ( 5.083 -6.041 -3.965) 8.835 11.810 ( 1.233 0.900 11.821) 11.919 11.869 ( 1.380 -5.079 13.131) 14.146 12.549 ( -5.291 7.447 -6.713) 11.336 12.693 ( -4.590 -5.102 -9.005) 11.323 13.033 ( -3.549 -0.454 6.624) 7.529 13.047 ( -3.499 -1.194 6.822) 7.760 13.329 ( -7.717 3.240 -1.078) 8.439 13.372 ( -6.761 -1.061 -1.498) 7.006 13.952 ( -2.718 2.467 1.162) 3.850 14.002 ( -2.076 -1.645 -0.560) 2.707 14.434 ( -10.167 4.918 -2.435) 11.554 14.554 ( -6.800 -6.211 -5.545) 10.750 14.925 ( 2.758 6.086 4.825) 8.242 15.073 ( 3.899 -7.703 3.346) 9.259 15.285 ( 1.593 3.538 -4.092) 5.639 15.393 ( 4.620 -6.429 -4.185) 8.955 15.906 ( 6.889 2.326 0.423) 7.283 15.925 ( 10.156 1.008 0.156) 10.207 16.368 ( 0.959 0.432 0.152) 1.063 16.411 ( 3.757 -2.926 -1.266) 4.927 16.801 ( 3.973 6.890 4.709) 9.243 16.947 ( 5.376 -6.431 1.221) 8.471 17.246 ( 0.165 4.565 0.159) 4.571 17.366 ( -0.993 -5.798 -2.599) 6.431 17.907 ( -3.881 6.306 0.529) 7.424 17.947 ( -4.346 2.734 0.011) 5.134 18.015 ( -1.725 -2.994 -0.050) 3.456 18.040 ( -2.592 -4.248 -0.124) 4.978 18.581 ( 1.074 7.157 2.135) 7.545 18.692 ( 0.274 -0.835 0.599) 1.064 18.855 ( 4.633 -0.422 0.198) 4.657 18.931 ( 6.557 -4.792 -3.229) 8.739 19.649 ( 1.789 8.053 4.374) 9.337 19.796 ( 0.640 -5.462 2.491) 6.038 20.138 ( -2.130 2.629 -8.500) 9.149 20.174 ( -0.561 -0.590 -9.303) 9.339 20.572 ( -0.915 0.064 2.503) 2.666 20.591 ( -1.879 -1.795 3.675) 4.501 21.003 ( -4.836 1.879 1.650) 5.445 21.070 ( -4.022 -4.332 -0.283) 5.918 ======================= Grid point 65 (28/45) ======================= q-point: ( 0.22 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 10.808 13.661 10.210) 20.192 1.628 ( 13.883 13.184 8.173) 20.816 1.788 ( 5.281 -13.420 11.786) 18.625 1.943 ( 2.314 -14.307 3.687) 14.955 2.230 ( 2.347 5.259 -7.074) 9.122 2.314 ( 0.135 1.764 -4.367) 4.712 2.469 ( 4.061 -1.336 -5.313) 6.819 2.592 ( 2.303 -4.714 -4.130) 6.677 2.739 ( 4.422 2.628 -0.054) 5.145 2.805 ( -0.876 -1.579 2.299) 2.924 2.906 ( 3.192 -0.893 1.315) 3.565 2.948 ( -0.350 -5.027 1.760) 5.338 3.161 ( -6.560 3.847 -3.090) 8.208 3.228 ( -4.801 -0.960 -2.451) 5.475 3.339 ( 4.536 8.739 0.860) 9.883 3.438 ( 0.474 -1.737 6.443) 6.690 3.480 ( -1.451 2.756 -3.481) 4.671 3.536 ( -1.218 1.454 -0.993) 2.141 3.613 ( -3.803 0.417 -0.399) 3.847 3.682 ( 0.546 -5.753 -7.618) 9.562 3.840 ( -0.540 6.751 4.469) 8.114 3.951 ( -0.907 -3.097 -0.364) 3.247 4.039 ( 0.864 -0.015 0.016) 0.864 4.147 ( 0.833 -6.680 -1.486) 6.894 4.329 ( -2.531 7.321 -0.090) 7.747 4.399 ( 1.058 3.805 -1.971) 4.414 4.527 ( -0.300 -2.586 -2.003) 3.285 4.574 ( 1.223 -7.594 -4.141) 8.736 4.885 ( 1.084 3.901 2.028) 4.528 4.985 ( 0.518 -3.888 1.191) 4.099 5.064 ( 1.075 3.634 0.217) 3.796 5.119 ( 2.012 -1.797 -0.968) 2.866 5.195 ( 1.368 6.794 2.394) 7.332 5.302 ( 2.679 -0.865 -0.747) 2.912 5.404 ( -0.813 -3.232 1.621) 3.705 5.412 ( 0.361 -2.685 1.904) 3.311 5.556 ( -2.479 2.863 0.181) 3.791 5.618 ( -2.979 -1.732 0.592) 3.496 5.784 ( -4.722 7.473 -3.052) 9.351 5.941 ( -5.832 -6.484 -4.539) 9.832 6.611 ( 0.591 2.380 3.130) 3.977 6.671 ( 0.815 -2.387 1.568) 2.970 6.783 ( -0.116 0.785 1.305) 1.528 6.806 ( 0.247 -1.027 1.563) 1.887 7.047 ( -0.847 3.332 1.881) 3.919 7.106 ( -0.089 -0.188 1.891) 1.903 7.274 ( -0.478 0.263 -0.967) 1.110 7.376 ( 0.429 -7.582 -1.697) 7.781 7.949 ( -3.687 4.417 2.755) 6.379 8.052 ( -4.728 -3.422 2.018) 6.176 8.156 ( -4.921 1.399 -0.558) 5.147 8.252 ( -5.321 -6.065 -1.139) 8.148 8.714 ( 1.365 2.327 0.238) 2.708 8.740 ( 0.700 0.437 0.032) 0.826 8.897 ( 0.546 -0.356 -0.751) 0.994 8.912 ( 2.312 -2.106 -2.141) 3.791 9.113 ( 2.616 1.452 1.279) 3.254 9.138 ( 2.978 -0.609 2.000) 3.638 9.366 ( -0.109 1.620 -2.458) 2.946 9.415 ( 0.277 -2.251 -2.793) 3.597 10.426 ( 3.706 7.863 -0.125) 8.694 10.493 ( 3.864 5.662 -2.602) 7.332 10.643 ( 2.782 -1.231 1.770) 3.520 10.734 ( 2.908 -5.981 -1.509) 6.820 11.238 ( 8.934 2.486 0.672) 9.298 11.281 ( 8.347 -0.781 1.832) 8.581 11.398 ( 10.731 3.361 -5.198) 12.389 11.498 ( 10.175 -5.327 -5.011) 12.531 11.848 ( 2.511 1.731 10.557) 10.989 11.917 ( 3.570 -4.635 10.603) 12.110 12.410 ( -7.764 5.457 -4.182) 10.370 12.550 ( -9.132 -6.718 -6.256) 12.948 12.942 ( -4.132 1.202 5.459) 6.952 12.973 ( -3.465 -1.518 4.163) 5.625 13.182 ( -6.818 3.675 -1.662) 7.922 13.234 ( -6.655 -1.308 -2.346) 7.177 13.869 ( -4.924 3.133 2.636) 6.404 13.938 ( -4.116 -2.973 0.986) 5.172 14.219 ( -10.012 6.510 -2.361) 12.174 14.361 ( -10.947 -6.489 -5.219) 13.754 15.002 ( 4.318 4.766 4.551) 7.879 15.117 ( 1.635 -5.630 4.986) 7.696 15.380 ( 5.803 4.771 -3.994) 8.508 15.512 ( 6.008 -7.226 -4.312) 10.340 16.059 ( 7.825 4.267 -0.016) 8.913 16.140 ( 10.622 -1.432 0.285) 10.722 16.394 ( 1.886 2.741 -2.000) 3.882 16.491 ( 3.463 -3.648 -2.509) 5.621 16.893 ( 4.895 8.991 3.685) 10.880 17.074 ( 6.452 -6.945 1.126) 9.546 17.242 ( -0.622 2.568 -0.176) 2.648 17.358 ( 0.536 -7.041 -1.198) 7.162 17.831 ( -4.026 3.931 0.800) 5.683 17.859 ( -3.954 2.010 0.212) 4.441 17.954 ( -3.865 -1.301 -0.039) 4.078 17.980 ( -3.089 -4.810 -0.356) 5.727 18.586 ( 0.262 5.754 2.118) 6.137 18.692 ( 0.186 -2.856 1.159) 3.088 18.968 ( 4.348 3.956 -0.986) 5.961 19.083 ( 7.576 -5.277 -3.207) 9.774 19.697 ( 3.080 4.819 3.004) 6.460 19.796 ( -0.579 -4.085 1.833) 4.514 20.098 ( -1.251 3.957 -4.973) 6.478 20.167 ( -0.239 -2.420 -6.725) 7.151 20.544 ( -1.957 -0.062 2.949) 3.540 20.555 ( -1.294 -0.874 2.399) 2.863 20.887 ( -6.314 2.652 0.708) 6.885 20.954 ( -7.016 -3.640 -1.030) 7.971 ======================= Grid point 66 (29/45) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 10.424 4.421 4.302) 12.112 1.839 ( 1.730 -1.936 3.528) 4.380 1.886 ( 7.577 2.270 5.651) 9.721 2.020 ( 5.975 -6.410 4.036) 9.647 2.269 ( 2.671 2.657 -1.528) 4.065 2.334 ( 3.317 -4.667 -0.573) 5.754 2.521 ( 2.195 1.004 -1.070) 2.641 2.564 ( -3.138 -0.336 -4.777) 5.726 2.763 ( -2.070 0.265 1.115) 2.366 2.811 ( -1.309 -3.413 -0.535) 3.695 2.917 ( -0.895 2.311 -1.040) 2.687 2.965 ( -4.730 -0.447 -3.624) 5.975 3.018 ( -3.480 0.800 -3.202) 4.796 3.117 ( -4.747 -6.776 -1.585) 8.424 3.360 ( -1.070 3.189 -1.690) 3.764 3.422 ( 0.840 0.282 0.657) 1.103 3.474 ( -1.225 5.283 -2.627) 6.026 3.565 ( 4.213 6.226 -2.637) 7.967 3.607 ( 1.673 -1.812 2.250) 3.339 3.717 ( 1.033 -5.095 -4.011) 6.566 3.865 ( 2.809 4.985 6.512) 8.669 3.932 ( -0.586 -1.893 2.244) 2.994 4.072 ( 2.259 -0.375 -0.554) 2.356 4.156 ( 0.286 -4.931 -0.093) 4.941 4.319 ( 1.625 7.932 2.839) 8.580 4.410 ( 0.236 3.469 1.354) 3.732 4.506 ( -1.849 -0.786 -0.600) 2.097 4.598 ( 0.812 -6.505 -1.715) 6.777 4.904 ( 1.165 4.161 2.694) 5.092 4.992 ( -0.232 -2.908 1.222) 3.163 5.058 ( -1.220 3.335 0.645) 3.610 5.131 ( -0.133 -2.935 -1.078) 3.130 5.264 ( 3.701 6.277 1.305) 7.403 5.335 ( -0.703 4.256 0.852) 4.397 5.388 ( 1.155 -4.442 1.153) 4.732 5.437 ( 1.018 -4.304 0.674) 4.474 5.486 ( -3.062 1.719 -1.519) 3.826 5.572 ( -1.677 -3.826 -0.916) 4.276 5.688 ( -4.125 3.342 -3.970) 6.630 5.789 ( -7.875 -5.000 -4.783) 10.483 6.659 ( 4.038 2.474 3.329) 5.788 6.717 ( 3.853 -2.658 2.530) 5.321 6.812 ( 2.437 2.239 0.334) 3.327 6.842 ( 2.922 -0.779 0.401) 3.051 7.026 ( -1.486 3.702 2.162) 4.537 7.101 ( -0.764 -0.951 1.394) 1.852 7.223 ( -4.247 1.717 -1.150) 4.723 7.331 ( -4.626 -6.562 -1.971) 8.267 7.890 ( -1.721 3.760 2.028) 4.606 7.972 ( -3.026 -0.999 1.062) 3.359 8.061 ( -4.003 -1.360 0.062) 4.228 8.139 ( -5.338 -5.690 -0.781) 7.841 8.767 ( 3.258 2.405 1.294) 4.251 8.780 ( 2.688 1.421 1.016) 3.206 8.926 ( 2.320 1.425 -0.009) 2.723 8.983 ( 4.039 -3.806 -1.926) 5.874 9.147 ( 0.684 2.879 -0.627) 3.025 9.196 ( 2.758 -0.770 -0.510) 2.908 9.340 ( -2.480 1.523 -1.849) 3.448 9.400 ( -1.843 -2.886 -2.469) 4.221 10.480 ( 1.756 8.742 0.155) 8.918 10.537 ( 0.654 8.533 -1.716) 8.729 10.675 ( 0.866 -4.628 1.560) 4.960 10.752 ( -0.580 -6.819 -0.996) 6.916 11.426 ( 8.936 1.567 1.508) 9.197 11.453 ( 8.077 -0.569 2.778) 8.560 11.609 ( 8.853 2.721 -4.120) 10.137 11.678 ( 6.847 -3.537 -3.082) 8.300 11.916 ( 4.290 3.874 7.297) 9.309 12.012 ( 5.402 -3.392 5.323) 8.308 12.261 ( -6.651 1.004 -1.632) 6.921 12.358 ( -8.855 -6.566 -2.461) 11.295 12.889 ( -1.205 1.653 2.608) 3.315 12.918 ( -1.931 -0.885 2.233) 3.082 13.050 ( -6.021 3.435 -0.883) 6.988 13.100 ( -6.543 -1.189 -1.541) 6.826 13.780 ( -3.361 3.186 2.606) 5.314 13.848 ( -4.361 -2.886 1.447) 5.426 14.055 ( -6.048 3.949 -3.127) 7.871 14.151 ( -9.180 -4.608 -5.097) 11.467 15.089 ( 4.086 3.033 4.467) 6.771 15.158 ( 2.225 -3.006 5.403) 6.571 15.471 ( 3.191 3.993 -2.765) 5.811 15.593 ( 1.502 -6.671 -3.701) 7.775 16.217 ( 7.555 5.466 -0.537) 9.340 16.343 ( 9.057 -3.648 0.575) 9.781 16.435 ( 1.569 4.307 -4.778) 6.621 16.544 ( 1.959 -2.478 -1.643) 3.561 16.997 ( 5.317 7.756 3.686) 10.100 17.172 ( 1.707 -6.208 2.642) 6.959 17.247 ( 2.932 2.443 -0.890) 3.919 17.399 ( 3.422 -8.840 -1.433) 9.587 17.739 ( -4.522 2.120 1.103) 5.115 17.781 ( -3.853 -1.567 0.303) 4.171 17.864 ( -5.168 2.314 -0.880) 5.731 17.914 ( -3.716 -2.849 -0.926) 4.773 18.612 ( 2.325 6.378 2.143) 7.119 18.711 ( 1.406 -0.614 1.316) 2.021 19.008 ( 0.468 4.050 -1.727) 4.428 19.177 ( 0.579 -9.512 -4.288) 10.450 19.778 ( 4.762 1.859 1.990) 5.485 19.809 ( 2.836 -0.804 1.738) 3.421 20.088 ( -0.131 4.073 -2.135) 4.600 20.157 ( -0.928 -2.473 -3.895) 4.706 20.509 ( -1.294 1.000 2.797) 3.240 20.531 ( -1.108 -0.855 2.025) 2.462 20.763 ( -5.530 1.664 -0.380) 5.787 20.808 ( -6.882 -2.495 -1.388) 7.451 ======================= Grid point 67 (30/45) ======================= q-point: ( 0.44 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -0.308 2.908 3.409) 4.491 1.808 ( -3.373 0.601 2.678) 4.349 2.063 ( 8.099 -0.546 1.101) 8.192 2.132 ( 2.520 -5.698 1.375) 6.381 2.381 ( 6.924 2.221 -1.272) 7.382 2.436 ( 6.482 -1.778 -3.159) 7.426 2.516 ( -4.299 1.390 -3.615) 5.786 2.557 ( 0.023 -1.509 -1.555) 2.167 2.681 ( -0.896 3.026 1.195) 3.375 2.762 ( -1.370 -3.158 -0.493) 3.477 2.799 ( -8.092 -0.350 -2.790) 8.567 2.841 ( -6.302 -2.719 -1.202) 6.968 3.022 ( 3.775 3.790 2.788) 6.031 3.091 ( -1.236 -0.756 3.973) 4.229 3.352 ( 0.347 2.330 -2.382) 3.350 3.396 ( -2.782 -0.299 -1.889) 3.376 3.514 ( 3.958 4.915 -0.922) 6.378 3.581 ( -2.140 4.373 -1.801) 5.191 3.661 ( 2.962 -4.880 -1.211) 5.836 3.709 ( -1.428 -4.818 -0.864) 5.099 3.923 ( 2.012 1.635 4.056) 4.813 3.938 ( 0.595 0.524 4.738) 4.804 4.119 ( 2.409 -1.870 -2.529) 3.962 4.157 ( -0.741 -4.479 -1.133) 4.680 4.365 ( 2.076 5.288 1.878) 5.983 4.423 ( -2.577 5.852 -0.368) 6.405 4.471 ( 3.715 -0.053 2.414) 4.431 4.578 ( -3.742 -3.788 1.186) 5.455 4.940 ( 2.107 3.366 2.091) 4.488 4.979 ( -1.247 0.419 1.462) 1.967 5.050 ( 1.568 0.786 0.530) 1.833 5.106 ( -2.569 -3.214 -0.110) 4.116 5.311 ( 0.763 4.732 0.385) 4.809 5.320 ( -0.155 5.538 0.953) 5.622 5.413 ( 0.453 -1.568 -0.637) 1.752 5.421 ( -0.415 0.593 -1.843) 1.980 5.494 ( 1.908 -4.869 0.552) 5.259 5.534 ( -2.078 -4.898 -0.598) 5.354 5.636 ( -0.884 -1.484 -3.930) 4.292 5.663 ( -3.929 -3.295 -4.377) 6.742 6.758 ( 4.998 2.342 3.192) 6.376 6.800 ( 2.737 -1.414 2.897) 4.229 6.851 ( 0.922 1.717 1.060) 2.218 6.885 ( -0.180 -1.719 1.160) 2.081 7.007 ( 1.287 5.355 1.172) 5.631 7.077 ( -2.822 3.063 -0.178) 4.169 7.146 ( -0.549 -2.549 -1.132) 2.843 7.218 ( -5.717 -5.188 -1.736) 7.913 7.885 ( 1.130 3.955 0.892) 4.209 7.923 ( -2.206 3.484 0.170) 4.127 8.014 ( -0.231 -5.276 0.443) 5.300 8.049 ( -3.350 -5.565 -0.242) 6.500 8.822 ( 1.751 2.589 2.724) 4.146 8.827 ( 1.351 2.382 2.578) 3.761 8.985 ( 3.314 1.571 -0.859) 3.767 9.034 ( -0.313 -2.461 -1.564) 2.933 9.170 ( 2.773 2.730 -1.641) 4.223 9.235 ( -0.968 -1.925 -1.880) 2.859 9.288 ( -0.091 0.974 -2.012) 2.237 9.343 ( -3.448 -2.838 -2.492) 5.114 10.508 ( 1.182 9.431 0.336) 9.511 10.531 ( -0.975 9.824 -0.232) 9.875 10.695 ( 1.287 -6.970 0.304) 7.095 10.726 ( -1.661 -7.383 -0.522) 7.585 11.564 ( 4.047 1.094 2.194) 4.732 11.574 ( 3.137 0.395 2.806) 4.227 11.737 ( 3.910 0.343 -1.575) 4.229 11.764 ( 1.502 -2.056 -0.838) 2.681 12.008 ( 4.511 5.121 2.490) 7.265 12.089 ( -1.038 4.204 0.056) 4.330 12.164 ( -0.156 -7.550 1.043) 7.623 12.225 ( -4.333 -6.764 -0.369) 8.042 12.885 ( 0.518 1.229 1.553) 2.047 12.894 ( -0.559 0.661 1.462) 1.699 12.959 ( -2.181 2.271 0.089) 3.150 12.985 ( -4.210 -0.144 -0.195) 4.217 13.745 ( -0.020 1.531 1.658) 2.257 13.775 ( -2.741 -0.972 1.276) 3.176 13.979 ( -1.277 0.342 -3.718) 3.946 14.010 ( -4.395 -2.276 -4.564) 6.732 15.160 ( 2.678 2.131 4.921) 5.994 15.187 ( 0.166 0.021 5.424) 5.427 15.526 ( 2.645 -0.201 -2.663) 3.759 15.579 ( -2.276 -4.616 -2.990) 5.952 16.349 ( 5.278 7.031 -1.813) 8.976 16.423 ( -1.837 8.051 -4.314) 9.317 16.502 ( 5.296 -6.903 0.394) 8.709 16.563 ( -0.661 -4.637 -0.669) 4.731 17.098 ( 4.405 4.135 2.964) 6.730 17.161 ( -1.795 0.180 2.730) 3.272 17.352 ( 6.029 -1.314 -0.443) 6.186 17.441 ( -1.301 -7.399 -1.003) 7.580 17.691 ( 0.622 1.795 0.217) 1.912 17.733 ( 0.159 -1.008 -0.135) 1.029 17.755 ( -4.385 2.057 -0.999) 4.946 17.820 ( -5.462 -2.719 -1.200) 6.218 18.672 ( 3.243 7.224 2.179) 8.213 18.721 ( -1.053 5.042 1.966) 5.513 19.034 ( 2.918 -3.355 -3.320) 5.549 19.121 ( -4.769 -9.102 -4.433) 11.191 19.871 ( 3.723 1.100 2.377) 4.552 19.885 ( 2.798 -0.173 2.325) 3.642 20.087 ( 0.493 2.809 -1.887) 3.420 20.123 ( -2.389 -0.561 -2.539) 3.531 20.496 ( 0.118 0.912 2.617) 2.774 20.510 ( -0.974 -0.256 2.347) 2.554 20.683 ( -1.909 0.079 -1.272) 2.296 20.698 ( -3.454 -1.262 -1.555) 3.993 ======================= Grid point 90 (31/45) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.000 0.000 24.666) 24.666 1.132 ( 0.000 0.000 27.657) 27.657 1.407 ( 0.000 0.000 -20.464) 20.464 1.628 ( 0.000 0.000 -21.054) 21.054 2.079 ( 0.000 0.000 40.677) 40.677 2.471 ( 0.000 0.000 20.513) 20.513 2.523 ( 0.000 0.000 1.855) 1.855 2.572 ( 0.000 0.000 -2.681) 2.681 2.727 ( 0.000 0.000 -13.071) 13.071 2.877 ( 0.000 0.000 -11.186) 11.186 2.953 ( 0.000 0.000 -17.441) 17.441 3.011 ( 0.000 0.000 -5.918) 5.918 3.158 ( 0.000 0.000 6.251) 6.251 3.263 ( 0.000 0.000 -3.322) 3.322 3.286 ( 0.000 0.000 10.403) 10.403 3.441 ( 0.000 0.000 5.779) 5.779 3.469 ( 0.000 0.000 -7.406) 7.406 3.532 ( 0.000 0.000 -3.713) 3.713 3.834 ( 0.000 0.000 2.376) 2.376 3.838 ( 0.000 0.000 5.698) 5.698 3.944 ( 0.000 0.000 -3.888) 3.888 3.949 ( 0.000 0.000 -1.299) 1.299 4.064 ( 0.000 0.000 6.106) 6.106 4.100 ( 0.000 0.000 -4.843) 4.843 4.137 ( 0.000 0.000 -3.474) 3.474 4.209 ( 0.000 0.000 -5.174) 5.174 4.526 ( 0.000 0.000 0.455) 0.455 4.578 ( 0.000 0.000 -5.777) 5.777 4.817 ( 0.000 0.000 0.300) 0.300 4.847 ( 0.000 0.000 -2.243) 2.243 5.069 ( 0.000 0.000 5.254) 5.254 5.112 ( 0.000 0.000 3.460) 3.460 5.189 ( 0.000 0.000 -4.430) 4.430 5.223 ( 0.000 0.000 -5.123) 5.123 5.371 ( 0.000 0.000 0.697) 0.697 5.384 ( 0.000 0.000 3.658) 3.658 5.422 ( 0.000 0.000 0.070) 0.070 5.486 ( 0.000 0.000 -1.485) 1.485 5.967 ( 0.000 0.000 2.178) 2.178 5.987 ( 0.000 0.000 0.326) 0.326 6.692 ( 0.000 0.000 2.040) 2.040 6.724 ( 0.000 0.000 -0.953) 0.953 6.951 ( 0.000 0.000 2.199) 2.199 7.000 ( 0.000 0.000 -2.383) 2.383 7.127 ( 0.000 0.000 5.099) 5.099 7.225 ( 0.000 0.000 -4.455) 4.455 7.411 ( 0.000 0.000 3.396) 3.396 7.439 ( 0.000 0.000 0.210) 0.210 8.002 ( 0.000 0.000 1.655) 1.655 8.051 ( 0.000 0.000 -3.163) 3.163 8.481 ( 0.000 0.000 3.496) 3.496 8.526 ( 0.000 0.000 -0.810) 0.810 8.737 ( 0.000 0.000 0.676) 0.676 8.763 ( 0.000 0.000 -2.012) 2.012 8.932 ( 0.000 0.000 0.710) 0.710 8.945 ( 0.000 0.000 -0.587) 0.587 9.115 ( 0.000 0.000 1.985) 1.985 9.172 ( 0.000 0.000 -3.733) 3.733 9.195 ( 0.000 0.000 6.391) 6.391 9.325 ( 0.000 0.000 -6.526) 6.526 10.013 ( 0.000 0.000 1.591) 1.591 10.043 ( 0.000 0.000 -1.383) 1.383 10.586 ( 0.000 0.000 3.737) 3.737 10.665 ( 0.000 0.000 -4.269) 4.269 10.894 ( 0.000 0.000 0.957) 0.957 10.914 ( 0.000 0.000 -1.055) 1.055 11.225 ( 0.000 0.000 5.881) 5.881 11.358 ( 0.000 0.000 -7.646) 7.646 12.007 ( 0.000 0.000 10.127) 10.127 12.193 ( 0.000 0.000 -8.701) 8.701 12.610 ( 0.000 0.000 0.094) 0.094 12.612 ( 0.000 0.000 -0.118) 0.118 13.106 ( 0.000 0.000 1.839) 1.839 13.130 ( 0.000 0.000 -0.652) 0.652 13.390 ( 0.000 0.000 0.859) 0.859 13.412 ( 0.000 0.000 -1.407) 1.407 13.868 ( 0.000 0.000 8.118) 8.118 14.010 ( 0.000 0.000 -6.009) 6.009 14.546 ( 0.000 0.000 0.342) 0.342 14.570 ( 0.000 0.000 -2.150) 2.150 15.025 ( 0.000 0.000 4.347) 4.347 15.126 ( 0.000 0.000 -5.721) 5.721 15.497 ( 0.000 0.000 0.309) 0.309 15.508 ( 0.000 0.000 -0.546) 0.546 15.708 ( 0.000 0.000 1.438) 1.438 15.717 ( 0.000 0.000 0.609) 0.609 16.443 ( 0.000 0.000 -0.288) 0.288 16.451 ( 0.000 0.000 -1.015) 1.015 16.744 ( 0.000 0.000 8.427) 8.427 16.914 ( 0.000 0.000 -8.630) 8.630 17.200 ( 0.000 0.000 6.284) 6.284 17.317 ( 0.000 0.000 -5.337) 5.337 17.773 ( 0.000 0.000 1.418) 1.418 17.810 ( 0.000 0.000 -2.293) 2.293 18.047 ( 0.000 0.000 2.826) 2.826 18.094 ( 0.000 0.000 -1.920) 1.920 18.337 ( 0.000 0.000 0.261) 0.261 18.344 ( 0.000 0.000 -0.462) 0.462 18.922 ( 0.000 0.000 3.967) 3.967 19.023 ( 0.000 0.000 -5.738) 5.738 19.593 ( 0.000 0.000 16.565) 16.565 19.866 ( 0.000 0.000 -7.457) 7.457 19.967 ( 0.000 0.000 -4.934) 4.934 19.977 ( 0.000 0.000 -2.273) 2.273 20.636 ( 0.000 0.000 2.708) 2.708 20.686 ( 0.000 0.000 -2.285) 2.285 21.259 ( 0.000 0.000 1.415) 1.415 21.288 ( 0.000 0.000 -1.491) 1.491 ======================= Grid point 91 (32/45) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 13.733 0.000 19.443) 23.804 1.256 ( 10.812 0.000 20.149) 22.867 1.531 ( 10.866 0.000 -17.250) 20.388 1.715 ( 7.450 0.000 -19.347) 20.732 2.251 ( 15.678 0.000 34.137) 37.565 2.450 ( -1.365 0.000 17.869) 17.921 2.572 ( 2.873 0.000 1.244) 3.130 2.623 ( 5.468 0.000 -2.178) 5.886 2.734 ( 0.225 0.000 -9.259) 9.262 2.827 ( -3.821 0.000 -3.512) 5.189 2.964 ( -0.928 0.000 -7.968) 8.022 3.004 ( -0.539 0.000 -8.042) 8.060 3.113 ( -3.678 0.000 1.614) 4.016 3.214 ( -1.509 0.000 -4.025) 4.298 3.305 ( 0.800 0.000 3.576) 3.664 3.365 ( -5.314 0.000 1.693) 5.577 3.483 ( -3.738 0.000 -0.879) 3.840 3.505 ( 1.389 0.000 -2.257) 2.650 3.760 ( -5.477 0.000 1.376) 5.647 3.781 ( -5.731 0.000 0.630) 5.765 3.875 ( -4.957 0.000 -1.921) 5.316 3.916 ( -3.165 0.000 -2.767) 4.204 4.075 ( -0.404 0.000 -1.339) 1.398 4.097 ( 0.684 0.000 -1.879) 2.000 4.156 ( 3.011 0.000 1.315) 3.286 4.243 ( 2.957 0.000 -3.863) 4.865 4.539 ( 0.860 0.000 1.545) 1.768 4.601 ( 1.997 0.000 -3.960) 4.435 4.866 ( 3.250 0.000 -0.518) 3.291 4.886 ( 3.258 0.000 -1.449) 3.566 5.066 ( -3.880 0.000 4.327) 5.812 5.133 ( 1.702 0.000 -0.520) 1.780 5.201 ( 0.675 0.000 0.624) 0.919 5.255 ( 2.648 0.000 -2.528) 3.661 5.345 ( 1.329 0.000 0.014) 1.330 5.379 ( -2.299 0.000 -1.865) 2.960 5.461 ( 3.301 0.000 1.321) 3.556 5.499 ( 1.782 0.000 -2.050) 2.717 5.943 ( -1.804 0.000 5.648) 5.929 6.031 ( 1.918 0.000 -3.648) 4.121 6.670 ( -1.798 0.000 2.470) 3.056 6.711 ( -1.897 0.000 -1.212) 2.251 6.948 ( -1.155 0.000 0.937) 1.488 6.964 ( -5.249 0.000 0.891) 5.324 7.039 ( -5.549 0.000 1.523) 5.754 7.048 ( -6.970 0.000 0.947) 7.034 7.469 ( 1.805 0.000 3.514) 3.951 7.527 ( 5.181 0.000 -2.105) 5.592 7.983 ( -1.815 0.000 1.720) 2.500 8.027 ( -2.334 0.000 -2.396) 3.345 8.475 ( -1.271 0.000 3.671) 3.885 8.524 ( -1.158 0.000 -1.060) 1.570 8.687 ( -3.127 0.000 0.882) 3.249 8.716 ( -3.473 0.000 -1.956) 3.986 8.911 ( -0.825 0.000 0.444) 0.937 8.932 ( -1.685 0.000 -1.415) 2.200 9.110 ( -0.870 0.000 2.240) 2.403 9.135 ( -0.323 0.000 0.160) 0.360 9.279 ( 4.697 0.000 0.445) 4.718 9.337 ( 1.179 0.000 -4.307) 4.465 10.070 ( 4.812 0.000 1.159) 4.950 10.092 ( 4.172 0.000 -0.961) 4.282 10.649 ( 4.953 0.000 2.693) 5.637 10.718 ( 4.288 0.000 -4.427) 6.163 10.969 ( 6.908 0.000 1.213) 7.013 10.995 ( 7.410 0.000 -1.452) 7.551 11.297 ( 6.552 0.000 4.666) 8.044 11.411 ( 5.299 0.000 -6.844) 8.656 12.006 ( -0.210 0.000 9.351) 9.353 12.161 ( -3.106 0.000 -5.806) 6.585 12.582 ( -2.358 0.000 0.430) 2.397 12.594 ( -1.532 0.000 -0.859) 1.756 13.071 ( -3.574 0.000 1.958) 4.075 13.098 ( -3.240 0.000 -0.814) 3.340 13.242 ( -9.910 0.000 5.666) 11.415 13.327 ( -7.565 0.000 -3.460) 8.319 13.907 ( 1.702 0.000 2.420) 2.959 13.964 ( -3.636 0.000 -2.879) 4.638 14.426 ( -10.083 0.000 7.318) 12.458 14.584 ( -5.143 0.000 -8.994) 10.361 14.923 ( -2.449 0.000 8.491) 8.837 15.080 ( -0.978 0.000 -7.692) 7.754 15.492 ( 1.711 0.000 5.816) 6.062 15.597 ( 3.764 0.000 -4.536) 5.894 15.758 ( 5.377 0.000 2.656) 5.997 15.817 ( 6.421 0.000 -4.156) 7.649 16.452 ( -0.229 0.000 1.589) 1.605 16.490 ( 2.530 0.000 -2.126) 3.304 16.738 ( 1.504 0.000 8.659) 8.789 16.906 ( 3.428 0.000 -8.282) 8.964 17.291 ( 5.351 0.000 6.041) 8.070 17.404 ( 6.770 0.000 -5.261) 8.573 17.741 ( -1.866 0.000 1.700) 2.524 17.789 ( -1.866 0.000 -2.937) 3.480 18.133 ( 0.480 0.000 0.448) 0.657 18.163 ( 4.553 0.000 -3.410) 5.689 18.369 ( 3.220 0.000 0.375) 3.241 18.380 ( 4.368 0.000 -0.933) 4.467 18.947 ( 4.315 0.000 3.129) 5.330 19.025 ( 1.509 0.000 -4.026) 4.299 19.617 ( 1.864 0.000 13.695) 13.822 19.873 ( -1.208 0.000 -11.315) 11.379 19.940 ( -0.022 0.000 2.279) 2.279 20.008 ( 2.231 0.000 -4.774) 5.270 20.626 ( -1.021 0.000 2.260) 2.479 20.667 ( -1.864 0.000 -1.817) 2.603 21.145 ( -9.637 0.000 4.144) 10.490 21.204 ( -7.614 0.000 -2.337) 7.965 ======================= Grid point 92 (33/45) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 17.186 0.000 11.494) 20.676 1.520 ( 14.939 0.000 11.387) 18.784 1.777 ( 12.104 0.000 -12.063) 17.089 1.869 ( 6.526 0.000 -13.147) 14.677 2.409 ( -1.913 0.000 9.220) 9.416 2.499 ( -1.958 0.000 1.388) 2.400 2.637 ( 5.995 0.000 7.904) 9.920 2.727 ( 1.577 0.000 0.423) 1.633 2.747 ( 0.754 0.000 4.822) 4.881 2.813 ( 3.963 0.000 0.529) 3.999 2.898 ( -2.576 0.000 -1.289) 2.880 2.963 ( -2.703 0.000 -5.098) 5.770 3.048 ( -0.571 0.000 4.895) 4.929 3.182 ( -5.316 0.000 -4.003) 6.655 3.256 ( -3.312 0.000 1.151) 3.507 3.332 ( 0.190 0.000 -5.494) 5.497 3.428 ( -0.817 0.000 3.446) 3.542 3.540 ( -0.862 0.000 -3.510) 3.614 3.629 ( -0.967 0.000 3.308) 3.447 3.702 ( -1.894 0.000 -5.390) 5.713 3.815 ( 0.013 0.000 -0.587) 0.587 3.852 ( -2.184 0.000 -3.505) 4.130 4.093 ( 2.526 0.000 -1.615) 2.998 4.115 ( 1.577 0.000 -2.229) 2.730 4.239 ( 4.483 0.000 3.897) 5.940 4.309 ( 3.457 0.000 -2.346) 4.178 4.518 ( -3.719 0.000 4.357) 5.729 4.626 ( -0.651 0.000 -4.746) 4.791 4.916 ( 1.207 0.000 2.806) 3.055 4.953 ( 1.848 0.000 -0.229) 1.862 4.989 ( -1.988 0.000 2.168) 2.942 5.085 ( -3.659 0.000 -5.712) 6.784 5.181 ( -2.125 0.000 3.438) 4.042 5.241 ( -2.426 0.000 -2.429) 3.433 5.400 ( 3.728 0.000 1.848) 4.161 5.461 ( 5.351 0.000 -3.820) 6.575 5.525 ( 3.954 0.000 0.594) 3.998 5.549 ( 4.010 0.000 -2.001) 4.482 5.867 ( -6.107 0.000 7.767) 9.880 5.999 ( -5.805 0.000 -5.862) 8.250 6.633 ( -1.152 0.000 1.848) 2.178 6.659 ( -1.727 0.000 -0.125) 1.731 6.854 ( -3.125 0.000 2.459) 3.977 6.868 ( -2.663 0.000 1.124) 2.890 7.012 ( 1.357 0.000 0.715) 1.534 7.025 ( 0.012 0.000 -0.650) 0.651 7.463 ( -2.925 0.000 5.181) 5.950 7.560 ( -2.298 0.000 -4.174) 4.765 7.932 ( -3.135 0.000 1.665) 3.550 7.963 ( -3.745 0.000 -1.172) 3.924 8.409 ( -4.884 0.000 2.166) 5.343 8.444 ( -6.205 0.000 -1.045) 6.292 8.668 ( 1.276 0.000 0.655) 1.434 8.683 ( 0.554 0.000 -0.828) 0.996 8.903 ( -0.640 0.000 0.546) 0.841 8.922 ( 1.991 0.000 -1.745) 2.647 9.092 ( -0.858 0.000 1.881) 2.068 9.134 ( -0.077 0.000 -1.620) 1.622 9.355 ( 1.768 0.000 -0.730) 1.912 9.366 ( 1.923 0.000 -1.579) 2.488 10.168 ( 4.181 0.000 0.688) 4.237 10.179 ( 3.872 0.000 -0.335) 3.886 10.746 ( 4.124 0.000 1.935) 4.555 10.798 ( 3.163 0.000 -3.522) 4.734 11.159 ( 11.503 0.000 1.113) 11.557 11.188 ( 11.275 0.000 -1.794) 11.417 11.455 ( 8.377 0.000 4.592) 9.554 11.557 ( 8.253 0.000 -5.661) 10.008 11.995 ( -0.853 0.000 6.886) 6.939 12.079 ( -4.447 0.000 -0.886) 4.534 12.533 ( -2.087 0.000 1.206) 2.410 12.564 ( -1.437 0.000 -2.052) 2.505 12.962 ( -6.256 0.000 2.615) 6.781 13.000 ( -6.323 0.000 -1.517) 6.503 13.088 ( -5.601 0.000 4.368) 7.102 13.172 ( -6.689 0.000 -4.054) 7.822 13.874 ( -4.129 0.000 2.372) 4.761 13.919 ( -1.507 0.000 -2.381) 2.818 14.181 ( -11.985 0.000 8.233) 14.540 14.359 ( -13.595 0.000 -9.492) 16.581 14.990 ( 5.995 0.000 6.554) 8.882 15.123 ( 3.935 0.000 -6.484) 7.585 15.528 ( 1.296 0.000 7.364) 7.477 15.651 ( 1.942 0.000 -4.849) 5.223 15.902 ( 7.622 0.000 -0.384) 7.632 15.939 ( 6.243 0.000 -4.278) 7.568 16.462 ( 2.319 0.000 3.845) 4.490 16.532 ( 2.987 0.000 -2.808) 4.099 16.831 ( 6.402 0.000 11.120) 12.832 17.041 ( 7.619 0.000 -9.859) 12.460 17.376 ( 2.913 0.000 5.840) 6.526 17.498 ( 1.294 0.000 -6.224) 6.358 17.736 ( 2.078 0.000 1.084) 2.344 17.760 ( -0.565 0.000 -1.250) 1.372 18.038 ( -8.632 0.000 4.481) 9.726 18.145 ( -5.109 0.000 -6.733) 8.452 18.421 ( 1.480 0.000 1.197) 1.904 18.454 ( 1.584 0.000 -2.674) 3.108 19.098 ( 4.373 0.000 2.537) 5.056 19.131 ( 11.755 0.000 -1.480) 11.848 19.663 ( 3.119 0.000 6.332) 7.059 19.797 ( -4.422 0.000 -6.291) 7.690 19.981 ( 2.634 0.000 2.531) 3.653 20.064 ( 2.922 0.000 -5.799) 6.494 20.596 ( -1.900 0.000 1.289) 2.296 20.614 ( -3.212 0.000 -0.431) 3.240 20.940 ( -9.541 0.000 5.170) 10.852 21.019 ( -9.789 0.000 -3.205) 10.301 ======================= Grid point 93 (34/45) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 6.118 0.000 6.950) 9.260 1.826 ( 6.378 0.000 -2.790) 6.962 1.913 ( 7.062 0.000 1.984) 7.335 2.032 ( 10.298 0.000 -7.763) 12.896 2.341 ( -3.615 0.000 2.544) 4.420 2.427 ( -1.651 0.000 -3.505) 3.874 2.633 ( -4.463 0.000 3.411) 5.617 2.645 ( -2.102 0.000 3.684) 4.242 2.779 ( -1.450 0.000 3.829) 4.095 2.853 ( 3.562 0.000 -2.948) 4.624 2.920 ( 0.178 0.000 -0.477) 0.509 2.963 ( -0.169 0.000 -4.083) 4.086 3.000 ( -5.193 0.000 3.884) 6.485 3.109 ( -1.892 0.000 -2.308) 2.984 3.170 ( -5.472 0.000 0.139) 5.474 3.249 ( -5.856 0.000 -4.657) 7.482 3.439 ( -2.087 0.000 0.067) 2.088 3.483 ( -0.483 0.000 -2.364) 2.413 3.751 ( 3.108 0.000 4.626) 5.574 3.765 ( 10.024 0.000 5.941) 11.653 3.845 ( 0.440 0.000 -2.069) 2.115 3.853 ( 4.848 0.000 -2.638) 5.519 4.138 ( 1.072 0.000 0.284) 1.109 4.166 ( 1.528 0.000 -2.185) 2.666 4.331 ( 4.156 0.000 4.333) 6.004 4.377 ( 3.174 0.000 1.918) 3.708 4.442 ( -0.211 0.000 1.391) 1.407 4.573 ( -1.996 0.000 -7.534) 7.793 4.874 ( -3.203 0.000 6.680) 7.408 4.981 ( 1.519 0.000 0.766) 1.701 5.008 ( 1.798 0.000 -0.552) 1.881 5.033 ( -0.837 0.000 -6.776) 6.827 5.185 ( 1.700 0.000 1.683) 2.392 5.225 ( 0.897 0.000 -2.652) 2.799 5.413 ( -2.274 0.000 3.186) 3.914 5.486 ( -1.497 0.000 -2.992) 3.346 5.647 ( 6.005 0.000 0.314) 6.013 5.667 ( 5.991 0.000 -1.407) 6.154 5.716 ( -7.473 0.000 5.275) 9.147 5.820 ( -10.537 0.000 -5.023) 11.674 6.649 ( 2.608 0.000 1.756) 3.144 6.673 ( 2.511 0.000 -0.454) 2.551 6.845 ( 1.923 0.000 2.100) 2.847 6.863 ( 1.694 0.000 0.493) 1.764 7.020 ( -0.745 0.000 0.618) 0.968 7.029 ( 0.022 0.000 -0.029) 0.036 7.352 ( -7.477 0.000 4.672) 8.816 7.445 ( -8.266 0.000 -4.382) 9.356 7.866 ( -3.084 0.000 1.346) 3.365 7.887 ( -3.470 0.000 -0.768) 3.554 8.303 ( -5.146 0.000 0.660) 5.188 8.315 ( -5.896 0.000 -0.334) 5.906 8.719 ( 2.832 0.000 0.745) 2.928 8.725 ( 3.670 0.000 0.345) 3.686 8.901 ( -0.142 0.000 2.770) 2.774 8.968 ( 1.099 0.000 -4.149) 4.292 9.089 ( 1.564 0.000 1.756) 2.351 9.147 ( 1.987 0.000 -3.247) 3.807 9.352 ( -1.657 0.000 0.943) 1.907 9.388 ( -0.526 0.000 -2.380) 2.437 10.229 ( 1.929 0.000 0.613) 2.024 10.236 ( 1.787 0.000 -0.081) 1.789 10.809 ( 2.256 0.000 1.262) 2.585 10.844 ( 1.417 0.000 -2.369) 2.760 11.397 ( 11.005 0.000 1.176) 11.067 11.425 ( 11.068 0.000 -1.521) 11.172 11.612 ( 6.669 0.000 4.781) 8.206 11.710 ( 6.186 0.000 -4.975) 7.938 11.975 ( -0.845 0.000 4.324) 4.406 12.010 ( -1.655 0.000 0.711) 1.801 12.502 ( -1.251 0.000 1.571) 2.008 12.529 ( -2.205 0.000 -1.200) 2.510 12.863 ( -2.996 0.000 0.735) 3.085 12.872 ( -5.025 0.000 -0.381) 5.040 12.988 ( -4.723 0.000 3.500) 5.879 13.054 ( -5.502 0.000 -3.070) 6.301 13.795 ( -3.125 0.000 5.035) 5.926 13.867 ( -3.180 0.000 -1.723) 3.616 13.998 ( -5.989 0.000 2.024) 6.321 14.106 ( -10.798 0.000 -8.135) 13.519 15.106 ( 5.057 0.000 5.328) 7.345 15.197 ( 2.878 0.000 -3.099) 4.229 15.543 ( 0.608 0.000 5.708) 5.740 15.666 ( -0.762 0.000 -6.104) 6.151 16.036 ( 5.746 0.000 -0.718) 5.791 16.071 ( 5.852 0.000 -3.737) 6.943 16.567 ( 7.856 0.000 4.482) 9.044 16.637 ( 7.072 0.000 -2.453) 7.486 16.945 ( 4.031 0.000 11.015) 11.729 17.138 ( 0.718 0.000 -8.099) 8.131 17.417 ( 1.866 0.000 2.214) 2.896 17.483 ( -1.282 0.000 -4.043) 4.241 17.757 ( 0.156 0.000 1.431) 1.439 17.790 ( -1.539 0.000 -1.220) 1.964 17.868 ( -3.645 0.000 5.692) 6.759 18.001 ( -8.040 0.000 -7.445) 10.958 18.444 ( 0.981 0.000 1.257) 1.594 18.467 ( 0.332 0.000 -1.131) 1.178 19.158 ( 1.791 0.000 5.974) 6.237 19.299 ( 2.685 0.000 -8.297) 8.720 19.752 ( 5.292 0.000 1.321) 5.454 19.768 ( 2.950 0.000 -0.009) 2.950 20.022 ( 1.121 0.000 3.489) 3.665 20.105 ( 0.695 0.000 -5.046) 5.093 20.548 ( -2.823 0.000 1.429) 3.164 20.557 ( -1.697 0.000 0.356) 1.734 20.779 ( -6.254 0.000 2.870) 6.881 20.835 ( -8.044 0.000 -2.739) 8.497 ======================= Grid point 94 (35/45) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -1.956 0.000 2.032) 2.820 1.734 ( -5.812 0.000 -1.084) 5.912 2.154 ( 8.310 0.000 0.035) 8.310 2.201 ( 4.082 0.000 -4.649) 6.186 2.360 ( 5.785 0.000 2.246) 6.206 2.442 ( 4.628 0.000 -4.647) 6.558 2.526 ( -7.103 0.000 3.446) 7.895 2.599 ( -5.263 0.000 -2.019) 5.637 2.829 ( 6.662 0.000 7.176) 9.792 2.858 ( -2.655 0.000 6.858) 7.354 2.877 ( -3.325 0.000 6.496) 7.297 2.939 ( 1.041 0.000 0.276) 1.077 2.983 ( 2.397 0.000 -3.751) 4.452 3.046 ( -3.162 0.000 -2.657) 4.130 3.064 ( -3.331 0.000 -6.441) 7.252 3.159 ( -6.042 0.000 -7.816) 9.879 3.416 ( 2.287 0.000 3.053) 3.815 3.476 ( -0.946 0.000 -0.239) 0.976 3.713 ( -1.651 0.000 -2.225) 2.771 3.778 ( -5.952 0.000 -5.863) 8.354 3.967 ( 8.294 0.000 3.472) 8.991 4.007 ( 6.690 0.000 0.323) 6.698 4.108 ( -3.989 0.000 2.236) 4.573 4.124 ( -4.572 0.000 -0.082) 4.572 4.420 ( 4.533 0.000 3.496) 5.724 4.455 ( 2.226 0.000 3.385) 4.051 4.516 ( 5.668 0.000 0.520) 5.692 4.582 ( -0.347 0.000 -3.048) 3.067 4.865 ( 3.991 0.000 6.817) 7.899 4.977 ( -3.682 0.000 -1.208) 3.875 5.059 ( 5.905 0.000 0.925) 5.977 5.085 ( 4.408 0.000 -1.391) 4.622 5.183 ( -3.442 0.000 1.892) 3.928 5.213 ( -4.883 0.000 -0.705) 4.933 5.355 ( 0.645 0.000 -1.360) 1.505 5.428 ( -4.149 0.000 -6.184) 7.447 5.615 ( -2.209 0.000 0.664) 2.307 5.633 ( -5.078 0.000 -1.373) 5.260 5.744 ( 2.413 0.000 -0.295) 2.431 5.751 ( 1.942 0.000 -0.808) 2.103 6.708 ( 2.272 0.000 1.655) 2.811 6.719 ( 1.226 0.000 0.561) 1.348 6.921 ( 4.932 0.000 1.191) 5.074 6.926 ( 3.783 0.000 0.517) 3.819 6.994 ( -1.643 0.000 1.983) 2.575 7.014 ( -1.775 0.000 0.921) 2.000 7.213 ( -3.925 0.000 1.261) 4.122 7.269 ( -7.863 0.000 -3.645) 8.667 7.823 ( -0.876 0.000 0.632) 1.080 7.833 ( -1.729 0.000 -0.334) 1.761 8.222 ( -2.259 0.000 0.336) 2.284 8.226 ( -2.565 0.000 0.092) 2.566 8.778 ( 2.818 0.000 2.485) 3.757 8.797 ( 2.186 0.000 1.469) 2.634 8.890 ( 0.089 0.000 0.407) 0.417 8.937 ( -3.203 0.000 -3.419) 4.685 9.167 ( 4.945 0.000 0.730) 4.998 9.214 ( 2.948 0.000 -3.322) 4.442 9.300 ( -2.188 0.000 1.159) 2.476 9.343 ( -3.644 0.000 -2.796) 4.593 10.252 ( 0.573 0.000 0.454) 0.731 10.255 ( 0.277 0.000 0.150) 0.315 10.843 ( 1.225 0.000 0.346) 1.273 10.857 ( -0.060 0.000 -1.053) 1.054 11.567 ( 5.248 0.000 1.594) 5.485 11.587 ( 3.881 0.000 0.152) 3.884 11.714 ( 3.705 0.000 1.725) 4.087 11.768 ( -0.806 0.000 -3.092) 3.196 11.989 ( 2.016 0.000 2.497) 3.210 12.008 ( 0.384 0.000 0.543) 0.666 12.474 ( -1.117 0.000 0.976) 1.484 12.482 ( -1.877 0.000 0.195) 1.887 12.828 ( 0.833 0.000 1.874) 2.051 12.853 ( 1.337 0.000 -0.387) 1.391 12.897 ( -3.530 0.000 2.553) 4.357 12.943 ( -5.227 0.000 -1.790) 5.525 13.769 ( 0.776 0.000 4.305) 4.375 13.809 ( -2.527 0.000 1.564) 2.972 13.922 ( -1.737 0.000 -4.106) 4.459 13.945 ( -4.620 0.000 -6.373) 7.871 15.189 ( 3.101 0.000 4.275) 5.281 15.225 ( -0.280 0.000 1.394) 1.422 15.569 ( 2.150 0.000 0.126) 2.154 15.624 ( -2.904 0.000 -4.811) 5.619 16.130 ( 3.202 0.000 -0.547) 3.248 16.149 ( 1.563 0.000 -2.242) 2.733 16.737 ( 7.162 0.000 3.747) 8.083 16.772 ( 4.390 0.000 0.330) 4.402 16.989 ( 1.578 0.000 5.039) 5.281 17.074 ( -5.709 0.000 -3.222) 6.556 17.458 ( 1.729 0.000 -0.465) 1.790 17.474 ( 0.031 0.000 -1.928) 1.928 17.698 ( -1.849 0.000 1.863) 2.625 17.734 ( -3.574 0.000 -1.802) 4.003 17.880 ( 0.538 0.000 -0.364) 0.649 17.889 ( -1.696 0.000 -1.209) 2.083 18.462 ( 0.744 0.000 1.211) 1.421 18.471 ( -0.097 0.000 0.450) 0.461 19.197 ( 2.590 0.000 0.851) 2.726 19.266 ( -3.804 0.000 -5.956) 7.067 19.854 ( 4.095 0.000 1.034) 4.223 19.867 ( 3.847 0.000 -0.290) 3.858 20.032 ( 0.803 0.000 2.862) 2.973 20.081 ( -2.844 0.000 -2.214) 3.605 20.519 ( 0.120 0.000 2.041) 2.045 20.534 ( -0.795 0.000 0.627) 1.013 20.691 ( -2.234 0.000 0.106) 2.236 20.708 ( -4.005 0.000 -1.570) 4.302 ======================= Grid point 99 (36/45) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 15.519 19.213) 24.698 1.281 ( 0.000 13.714 22.805) 26.611 1.533 ( 0.000 10.885 -17.772) 20.841 1.734 ( 0.000 9.654 -19.696) 21.935 2.217 ( 0.000 6.455 27.255) 28.009 2.355 ( 0.000 -8.777 19.285) 21.188 2.429 ( 0.000 -5.701 10.858) 12.264 2.474 ( 0.000 -6.991 -1.735) 7.203 2.704 ( 0.000 -7.674 -13.620) 15.633 2.809 ( 0.000 -1.926 -3.135) 3.679 3.012 ( 0.000 1.062 -3.773) 3.920 3.102 ( 0.000 7.888 -14.965) 16.916 3.155 ( 0.000 3.256 -1.756) 3.699 3.186 ( 0.000 -1.701 1.603) 2.337 3.347 ( 0.000 -2.858 4.511) 5.340 3.430 ( 0.000 3.699 2.576) 4.507 3.505 ( 0.000 1.250 -5.008) 5.161 3.538 ( 0.000 0.336 -2.154) 2.180 3.684 ( 0.000 -8.654 4.612) 9.807 3.818 ( 0.000 -4.757 -8.750) 9.959 3.871 ( 0.000 -2.111 4.611) 5.071 3.912 ( 0.000 -0.690 2.655) 2.744 4.089 ( 0.000 -0.728 -2.916) 3.006 4.118 ( 0.000 -0.590 -0.840) 1.026 4.172 ( 0.000 6.632 -0.464) 6.648 4.240 ( 0.000 -0.638 -4.742) 4.784 4.510 ( 0.000 -5.346 -3.252) 6.258 4.531 ( 0.000 -2.828 -4.416) 5.244 4.864 ( 0.000 4.161 3.380) 5.361 4.918 ( 0.000 5.190 -1.041) 5.293 5.051 ( 0.000 -1.610 5.014) 5.266 5.167 ( 0.000 1.231 -1.295) 1.786 5.198 ( 0.000 -3.055 -1.921) 3.609 5.215 ( 0.000 -0.094 0.982) 0.986 5.277 ( 0.000 0.307 -1.016) 1.062 5.321 ( 0.000 0.279 -5.224) 5.231 5.597 ( 0.000 10.088 2.559) 10.408 5.632 ( 0.000 8.991 -0.194) 8.993 5.904 ( 0.000 -4.589 3.561) 5.809 5.960 ( 0.000 -2.360 -2.055) 3.129 6.693 ( 0.000 -0.708 2.409) 2.511 6.718 ( 0.000 -1.253 0.110) 1.258 6.886 ( 0.000 -3.507 3.336) 4.841 6.944 ( 0.000 -3.210 -2.589) 4.124 7.147 ( 0.000 0.540 3.035) 3.083 7.209 ( 0.000 -1.747 -2.835) 3.330 7.347 ( 0.000 -4.965 2.865) 5.732 7.371 ( 0.000 -5.639 0.521) 5.663 8.015 ( 0.000 1.855 3.295) 3.782 8.087 ( 0.000 3.118 -3.874) 4.973 8.406 ( 0.000 -6.243 2.884) 6.877 8.449 ( 0.000 -6.369 -1.393) 6.520 8.749 ( 0.000 1.677 0.643) 1.796 8.773 ( 0.000 1.350 -1.848) 2.289 8.925 ( 0.000 -0.955 0.420) 1.043 8.931 ( 0.000 -1.289 -0.031) 1.289 9.113 ( 0.000 -0.071 3.171) 3.172 9.160 ( 0.000 -0.564 1.921) 2.002 9.216 ( 0.000 1.246 0.186) 1.260 9.317 ( 0.000 -0.819 -6.253) 6.306 10.121 ( 0.000 7.951 -0.298) 7.957 10.131 ( 0.000 7.167 -1.062) 7.246 10.549 ( 0.000 -2.994 2.706) 4.036 10.602 ( 0.000 -4.547 -2.476) 5.177 10.959 ( 0.000 4.395 0.022) 4.395 10.971 ( 0.000 4.809 -1.157) 4.946 11.199 ( 0.000 -2.253 4.882) 5.377 11.309 ( 0.000 -4.145 -6.241) 7.492 12.008 ( 0.000 0.206 10.232) 10.234 12.171 ( 0.000 -2.785 -4.940) 5.671 12.484 ( 0.000 -4.151 6.953) 8.098 12.629 ( 0.000 -2.015 -7.288) 7.562 13.138 ( 0.000 1.330 2.153) 2.531 13.164 ( 0.000 2.504 -0.055) 2.505 13.406 ( 0.000 1.339 0.722) 1.521 13.425 ( 0.000 1.024 -1.269) 1.631 13.908 ( 0.000 3.183 4.714) 5.688 14.005 ( 0.000 -0.281 -4.222) 4.231 14.533 ( 0.000 -1.189 -0.725) 1.392 14.549 ( 0.000 -1.874 -2.232) 2.914 14.996 ( 0.000 -1.863 4.603) 4.966 15.091 ( 0.000 -3.031 -4.720) 5.610 15.378 ( 0.000 -8.320 0.882) 8.367 15.392 ( 0.000 -6.735 -1.001) 6.809 15.755 ( 0.000 4.228 2.854) 5.101 15.790 ( 0.000 3.321 -0.773) 3.410 16.378 ( 0.000 -2.877 0.649) 2.949 16.406 ( 0.000 -3.304 -2.139) 3.936 16.827 ( 0.000 4.156 7.830) 8.865 16.933 ( 0.000 1.412 -2.667) 3.018 17.210 ( 0.000 0.310 2.949) 2.965 17.318 ( 0.000 -0.457 -7.240) 7.254 17.850 ( 0.000 6.267 2.264) 6.664 17.901 ( 0.000 5.697 -3.062) 6.467 18.050 ( 0.000 -0.079 1.912) 1.913 18.086 ( 0.000 -0.857 -1.565) 1.785 18.407 ( 0.000 6.242 0.817) 6.295 18.440 ( 0.000 8.893 -2.939) 9.366 18.917 ( 0.000 -1.346 2.897) 3.194 18.983 ( 0.000 -4.160 -2.750) 4.987 19.643 ( 0.000 4.518 13.570) 14.303 19.877 ( 0.000 0.821 -4.374) 4.451 19.947 ( 0.000 -0.911 -4.828) 4.914 19.992 ( 0.000 0.606 -5.775) 5.807 20.631 ( 0.000 -0.410 2.527) 2.560 20.673 ( 0.000 -1.091 -1.684) 2.006 21.191 ( 0.000 -5.747 1.815) 6.027 21.212 ( 0.000 -5.178 -0.286) 5.185 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.11 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 8.836 12.011 18.026) 23.394 1.375 ( 8.574 10.744 16.206) 21.250 1.642 ( 9.281 9.451 -14.717) 19.800 1.802 ( 6.065 8.290 -17.445) 20.244 2.312 ( 5.627 -4.609 17.381) 18.841 2.370 ( 2.587 -6.827 14.856) 16.553 2.473 ( 3.841 -4.317 11.777) 13.118 2.522 ( 5.335 -4.578 1.272) 7.144 2.702 ( -0.070 -6.798 -10.056) 12.139 2.807 ( 0.383 0.848 -2.463) 2.633 2.983 ( -3.470 0.519 -0.104) 3.510 3.060 ( -2.679 3.374 -2.985) 5.242 3.151 ( -2.290 3.765 -3.359) 5.541 3.189 ( 0.598 1.805 -7.474) 7.712 3.320 ( -2.732 -3.409 5.236) 6.819 3.387 ( -2.391 4.656 -0.232) 5.239 3.501 ( -1.557 1.353 -1.019) 2.301 3.525 ( 1.158 1.636 -4.743) 5.149 3.642 ( -4.048 -7.413 3.422) 9.113 3.763 ( -5.321 -2.419 -5.708) 8.169 3.852 ( -1.404 -2.391 1.023) 2.956 3.884 ( -2.095 -0.079 0.537) 2.164 4.082 ( 0.604 0.516 -1.708) 1.883 4.113 ( -0.671 -0.927 -3.807) 3.975 4.203 ( 2.350 5.858 1.874) 6.585 4.261 ( 1.864 0.067 -3.292) 3.783 4.522 ( 0.993 -3.320 -0.483) 3.499 4.577 ( 3.424 -3.571 -4.861) 6.935 4.870 ( 1.171 1.270 3.350) 3.769 4.930 ( 1.216 3.547 -1.835) 4.174 5.089 ( 0.088 -0.218 4.063) 4.070 5.146 ( -0.072 1.023 2.219) 2.444 5.168 ( -1.994 -0.497 -0.203) 2.065 5.200 ( 1.322 -3.030 -3.219) 4.614 5.361 ( 4.764 0.685 -1.347) 4.998 5.382 ( 4.241 1.070 -2.645) 5.111 5.566 ( -2.222 7.662 1.367) 8.094 5.601 ( -2.553 7.875 -1.087) 8.349 5.887 ( -2.009 -4.484 5.510) 7.383 5.985 ( 0.961 -3.717 -4.673) 6.048 6.673 ( -1.592 -0.245 2.577) 3.039 6.701 ( -1.602 -1.055 0.229) 1.932 6.887 ( -0.909 -2.825 2.071) 3.619 6.917 ( -3.004 -2.907 -0.934) 4.283 7.071 ( -5.165 1.848 2.079) 5.866 7.093 ( -4.727 2.347 -0.084) 5.279 7.401 ( 1.822 -6.055 2.955) 6.979 7.448 ( 4.867 -6.588 -1.664) 8.358 7.997 ( -1.775 1.947 3.185) 4.133 8.062 ( -2.426 3.064 -3.285) 5.105 8.388 ( -2.101 -6.779 3.507) 7.916 8.441 ( -1.539 -6.740 -1.708) 7.122 8.702 ( -3.168 1.567 0.915) 3.651 8.728 ( -3.151 1.287 -1.607) 3.764 8.901 ( -0.777 -1.187 0.388) 1.470 8.919 ( -1.305 -1.300 -1.218) 2.208 9.112 ( -0.360 0.574 2.761) 2.843 9.140 ( -0.039 0.697 0.857) 1.105 9.281 ( 3.862 -0.119 0.103) 3.866 9.340 ( 1.937 -0.366 -4.690) 5.087 10.173 ( 4.376 7.766 0.187) 8.916 10.187 ( 4.607 7.885 -1.096) 9.198 10.623 ( 5.671 -2.228 2.063) 6.433 10.674 ( 5.761 -3.525 -3.014) 7.396 11.018 ( 5.908 3.759 0.537) 7.023 11.037 ( 6.450 3.685 -1.391) 7.557 11.265 ( 6.132 -2.760 3.831) 7.739 11.359 ( 5.145 -4.374 -5.613) 8.781 12.009 ( 0.060 0.411 9.653) 9.662 12.155 ( -1.727 -1.408 -3.548) 4.190 12.455 ( -2.433 -5.065 6.514) 8.603 12.600 ( -2.739 -2.583 -7.482) 8.376 13.109 ( -2.974 1.516 2.144) 3.968 13.138 ( -2.683 2.938 -0.251) 3.987 13.257 ( -10.925 1.691 4.079) 11.784 13.331 ( -7.965 0.278 -3.253) 8.608 13.933 ( 0.600 2.142 1.866) 2.903 13.974 ( -2.380 0.965 -1.985) 3.246 14.414 ( -9.778 -0.989 4.964) 11.010 14.536 ( -5.968 -3.967 -7.482) 10.360 14.950 ( 0.054 2.560 7.243) 7.682 15.089 ( 1.121 1.061 -6.923) 7.093 15.376 ( 1.978 -8.444 5.095) 10.058 15.472 ( 4.728 -8.632 -4.589) 10.859 15.843 ( 5.953 5.007 1.071) 7.852 15.862 ( 6.739 3.453 -1.067) 7.647 16.412 ( 1.902 -2.816 0.875) 3.509 16.444 ( 3.486 -3.568 -2.112) 5.417 16.802 ( -0.306 4.982 7.941) 9.379 16.939 ( 2.112 2.374 -5.818) 6.629 17.275 ( 4.386 -1.719 4.152) 6.280 17.369 ( 4.313 -2.741 -5.196) 7.288 17.803 ( -2.827 5.275 2.218) 6.383 17.849 ( -3.437 4.454 -2.328) 6.089 18.091 ( 0.076 -3.297 0.490) 3.334 18.108 ( 0.302 -3.337 -1.101) 3.527 18.456 ( 3.596 6.792 1.147) 7.771 18.497 ( 4.371 8.795 -3.515) 10.431 18.945 ( 4.129 -1.059 1.873) 4.656 18.990 ( 1.695 -3.587 -1.874) 4.388 19.662 ( 1.464 4.066 11.681) 12.455 19.896 ( -1.441 2.023 -11.168) 11.441 19.924 ( 0.878 -1.467 3.188) 3.617 20.010 ( 1.767 0.033 -5.947) 6.204 20.620 ( -1.030 -0.468 2.145) 2.425 20.654 ( -1.813 -1.072 -1.187) 2.418 21.096 ( -7.834 -3.677 3.762) 9.436 21.148 ( -6.295 -4.340 -1.858) 7.869 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.22 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 14.514 4.940 11.847) 19.376 1.591 ( 11.947 6.823 7.583) 15.709 1.844 ( 9.495 5.339 -8.612) 13.886 1.935 ( 6.050 6.215 -10.901) 13.930 2.341 ( -0.200 -7.208 13.008) 14.873 2.439 ( 1.583 -9.216 1.054) 9.410 2.561 ( 1.064 -5.253 0.238) 5.365 2.581 ( -0.035 -9.239 -1.444) 9.351 2.775 ( 5.940 0.333 4.705) 7.584 2.823 ( -0.291 3.168 -0.984) 3.330 2.893 ( -2.315 -0.222 0.938) 2.508 3.002 ( -5.040 2.386 -4.374) 7.087 3.094 ( -1.095 3.830 1.093) 4.131 3.148 ( -3.286 -1.119 -1.592) 3.820 3.255 ( -2.663 -0.640 4.245) 5.051 3.380 ( -1.124 4.081 -6.023) 7.361 3.483 ( -1.595 1.980 2.089) 3.291 3.542 ( -1.612 -4.680 -3.177) 5.882 3.576 ( 1.037 0.281 2.361) 2.594 3.679 ( 0.654 0.042 -5.124) 5.166 3.831 ( -0.020 1.918 3.493) 3.985 3.862 ( 0.255 0.768 -3.405) 3.500 4.102 ( 1.472 -0.208 -1.570) 2.162 4.126 ( 2.175 -0.308 -3.247) 3.920 4.251 ( 2.452 3.398 4.133) 5.886 4.310 ( 2.744 0.446 -1.842) 3.335 4.526 ( -1.073 -0.324 2.428) 2.674 4.621 ( -0.004 -2.486 -5.261) 5.819 4.917 ( 2.855 -0.678 2.732) 4.009 4.968 ( 2.337 1.085 -1.819) 3.154 5.029 ( -3.615 4.792 3.517) 6.957 5.100 ( -2.772 1.537 -3.331) 4.598 5.186 ( 0.965 -0.035 3.450) 3.582 5.244 ( 0.899 0.246 -2.595) 2.757 5.425 ( 1.554 1.423 1.207) 2.428 5.462 ( 3.531 0.310 -1.420) 3.819 5.538 ( -0.198 1.884 0.272) 1.913 5.574 ( 1.451 2.230 -2.626) 3.739 5.805 ( -6.191 -4.971 7.018) 10.597 5.940 ( -5.992 -5.035 -6.706) 10.307 6.645 ( -0.473 0.987 2.679) 2.895 6.677 ( 0.064 1.392 -0.359) 1.439 6.836 ( -2.219 -1.441 2.043) 3.343 6.856 ( -1.870 -1.192 0.369) 2.248 7.032 ( 0.193 1.832 1.483) 2.364 7.056 ( -0.221 2.862 -0.768) 2.972 7.403 ( -2.156 -5.409 4.430) 7.316 7.487 ( -1.384 -6.362 -3.708) 7.493 7.944 ( -3.307 1.644 2.751) 4.605 7.994 ( -4.105 2.697 -2.170) 5.370 8.314 ( -4.747 -7.209 3.154) 9.190 8.365 ( -5.609 -6.472 -1.800) 8.751 8.679 ( 1.173 1.311 0.789) 1.928 8.700 ( 0.820 1.471 -1.102) 2.013 8.905 ( 0.528 -0.346 0.284) 0.692 8.918 ( 2.347 -0.977 -1.424) 2.913 9.104 ( -0.570 1.534 1.946) 2.542 9.142 ( -0.127 1.218 -1.151) 1.681 9.341 ( 1.790 -1.061 0.319) 2.106 9.378 ( 1.442 -0.189 -3.001) 3.335 10.260 ( 3.623 7.572 0.679) 8.422 10.276 ( 3.619 8.166 -0.927) 8.980 10.727 ( 4.004 -1.844 1.861) 4.785 10.773 ( 3.450 -2.344 -2.939) 5.102 11.193 ( 10.804 2.766 0.950) 11.192 11.220 ( 11.127 2.934 -1.745) 11.638 11.420 ( 8.670 -2.991 3.863) 9.951 11.509 ( 8.894 -4.023 -5.050) 10.991 12.006 ( -0.428 1.049 7.669) 7.753 12.101 ( -3.337 1.530 -0.682) 3.734 12.410 ( -1.599 -7.164 4.672) 8.701 12.529 ( -3.950 -4.533 -6.612) 8.938 13.008 ( -6.736 2.309 2.767) 7.639 13.041 ( -6.536 3.497 -0.150) 7.414 13.090 ( -5.037 0.406 3.414) 6.098 13.174 ( -6.573 0.104 -4.265) 7.836 13.888 ( -3.883 1.467 3.076) 5.167 13.940 ( -1.893 1.556 -2.329) 3.381 14.177 ( -11.904 -0.315 6.180) 13.416 14.325 ( -12.639 -3.040 -8.479) 15.520 15.024 ( 5.441 3.056 6.409) 8.946 15.150 ( 3.990 2.512 -5.917) 7.566 15.434 ( 3.149 -7.010 6.862) 10.302 15.565 ( 4.015 -6.982 -6.114) 10.112 15.969 ( 6.412 4.704 0.528) 7.970 16.008 ( 7.043 5.910 -3.308) 9.771 16.455 ( 3.126 -2.159 2.614) 4.611 16.508 ( 3.243 -2.499 -2.105) 4.604 16.858 ( 5.086 3.685 8.804) 10.815 17.031 ( 5.723 0.132 -8.319) 10.098 17.350 ( 2.870 -3.061 4.933) 6.476 17.443 ( 2.306 -4.826 -4.406) 6.930 17.767 ( -0.675 3.002 1.162) 3.289 17.792 ( -1.953 2.850 -1.139) 3.638 18.011 ( -6.881 -2.245 2.616) 7.696 18.068 ( -4.458 -5.078 -3.152) 7.457 18.499 ( 0.942 5.924 1.848) 6.277 18.552 ( 1.001 7.538 -3.824) 8.512 19.055 ( 3.815 -3.934 3.140) 6.316 19.103 ( 9.397 -2.709 -2.376) 10.064 19.699 ( 2.568 3.074 6.068) 7.270 19.820 ( -3.713 1.595 -5.055) 6.472 19.983 ( 3.075 0.297 1.498) 3.433 20.059 ( 2.727 -0.465 -5.840) 6.462 20.591 ( -1.791 -0.384 1.386) 2.297 20.606 ( -2.695 -0.625 0.035) 2.767 20.923 ( -8.556 -1.271 3.944) 9.507 20.987 ( -8.867 -2.610 -2.765) 9.648 ======================= Grid point 102 (39/45) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 7.120 2.932 5.309) 9.353 1.809 ( 6.273 1.106 -0.106) 6.371 1.972 ( 4.606 3.058 1.161) 5.649 2.049 ( 6.339 1.383 -5.728) 8.655 2.337 ( -0.196 -1.256 4.794) 4.960 2.425 ( -2.215 -0.946 -2.426) 3.418 2.519 ( -1.006 -7.226 2.637) 7.757 2.585 ( 0.428 -5.998 -0.803) 6.066 2.773 ( -3.029 -0.119 2.189) 3.739 2.817 ( -0.536 -0.204 -0.842) 1.019 2.902 ( -1.282 -0.853 -0.751) 1.714 2.956 ( -0.515 -3.792 -1.793) 4.226 3.014 ( -2.450 1.381 0.966) 2.973 3.108 ( -3.242 1.116 -6.610) 7.446 3.215 ( -2.562 3.863 3.464) 5.786 3.298 ( -3.308 3.000 -3.828) 5.882 3.450 ( -1.211 1.332 1.189) 2.157 3.507 ( -1.229 -1.203 -2.874) 3.349 3.681 ( 6.243 -2.014 4.707) 8.074 3.764 ( 3.783 -2.893 -1.155) 4.901 3.865 ( 3.571 3.708 2.121) 5.567 3.893 ( 2.765 2.712 -1.852) 4.293 4.142 ( 1.022 -0.612 1.101) 1.622 4.172 ( 2.107 1.495 -1.298) 2.891 4.307 ( 2.430 -1.043 5.205) 5.839 4.358 ( 2.159 -0.237 0.946) 2.369 4.500 ( -0.413 3.006 1.205) 3.265 4.593 ( -0.685 0.804 -6.219) 6.308 4.911 ( -2.607 2.429 4.255) 5.549 4.988 ( -0.484 0.613 -2.293) 2.422 5.038 ( 2.970 2.601 1.284) 4.151 5.077 ( 1.669 2.477 -3.603) 4.679 5.200 ( 0.563 2.268 2.370) 3.329 5.244 ( 0.071 2.228 -2.205) 3.135 5.417 ( -2.125 0.337 2.157) 3.046 5.476 ( -2.043 -0.717 -2.625) 3.403 5.595 ( 3.913 -3.993 2.504) 6.125 5.640 ( 2.149 -3.274 -0.348) 3.932 5.667 ( -4.570 -3.652 2.441) 6.339 5.770 ( -9.293 -4.154 -6.177) 11.907 6.677 ( 3.406 2.313 2.701) 4.924 6.714 ( 3.199 3.130 -1.040) 4.595 6.832 ( 1.741 -1.066 2.392) 3.144 6.859 ( 2.112 -0.502 -0.184) 2.179 7.029 ( -0.738 0.870 1.408) 1.813 7.048 ( -1.008 2.303 -0.675) 2.603 7.312 ( -6.368 -3.647 4.128) 8.419 7.397 ( -6.944 -4.402 -4.072) 9.175 7.878 ( -2.859 1.443 1.922) 3.735 7.910 ( -3.784 2.194 -1.316) 4.568 8.220 ( -4.213 -6.578 1.715) 7.997 8.249 ( -5.275 -5.665 -1.043) 7.811 8.733 ( 3.633 1.798 0.938) 4.161 8.746 ( 3.343 1.842 -0.185) 3.821 8.928 ( 1.048 1.662 2.534) 3.206 8.983 ( 2.950 0.250 -3.231) 4.382 9.091 ( -0.052 1.005 1.422) 1.742 9.144 ( 1.097 0.379 -3.195) 3.399 9.345 ( -1.398 -1.017 1.047) 2.021 9.385 ( -1.031 -0.815 -2.689) 2.993 10.312 ( 1.593 7.215 0.748) 7.426 10.325 ( 1.304 7.650 -0.546) 7.779 10.783 ( 1.798 -2.526 1.328) 3.373 10.816 ( 1.058 -2.679 -2.106) 3.568 11.418 ( 10.482 1.828 1.543) 10.752 11.451 ( 10.603 2.417 -1.575) 10.988 11.591 ( 7.573 -1.898 4.021) 8.782 11.679 ( 7.079 -2.697 -4.506) 8.814 11.994 ( -0.492 1.723 4.907) 5.224 12.041 ( -1.996 2.738 0.197) 3.395 12.389 ( -0.757 -8.216 2.628) 8.660 12.448 ( -3.989 -6.885 -3.041) 8.519 12.899 ( -3.287 2.498 1.877) 4.535 12.923 ( -4.442 3.410 -0.473) 5.620 12.999 ( -4.310 0.891 2.764) 5.197 13.059 ( -5.303 0.286 -3.053) 6.126 13.811 ( -3.274 1.441 4.926) 6.088 13.881 ( -3.662 1.025 -1.533) 4.100 13.987 ( -6.308 -0.724 1.559) 6.538 14.086 ( -10.265 -1.812 -7.541) 12.865 15.131 ( 4.814 2.298 5.589) 7.726 15.222 ( 2.775 2.170 -2.579) 4.366 15.488 ( 2.150 -4.356 5.315) 7.201 15.613 ( 0.468 -4.630 -6.549) 8.034 16.095 ( 5.822 4.756 -0.276) 7.523 16.131 ( 4.865 5.808 -3.867) 8.506 16.558 ( 6.651 -2.284 3.206) 7.729 16.600 ( 5.667 -4.043 -0.820) 7.009 16.962 ( 4.471 3.077 7.772) 9.480 17.111 ( 1.332 -0.844 -6.845) 7.024 17.397 ( 2.247 -2.736 3.797) 5.191 17.478 ( 1.872 -2.422 -4.229) 5.221 17.740 ( -2.117 -0.383 1.575) 2.666 17.778 ( -1.095 -0.539 -2.144) 2.467 17.861 ( -6.271 -0.411 4.142) 7.527 17.946 ( -6.802 -3.432 -4.220) 8.709 18.520 ( 1.325 6.073 2.068) 6.551 18.564 ( 0.541 7.706 -2.363) 8.079 19.103 ( 1.241 -4.755 5.406) 7.306 19.230 ( 1.643 -5.948 -7.291) 9.552 19.777 ( 4.955 2.118 1.947) 5.729 19.804 ( 2.934 2.553 -0.488) 3.919 20.029 ( 1.294 0.714 2.431) 2.845 20.099 ( 0.733 -0.589 -4.621) 4.716 20.549 ( -2.031 0.196 1.740) 2.682 20.562 ( -1.515 0.351 0.413) 1.609 20.770 ( -6.349 -0.757 2.081) 6.724 20.815 ( -7.712 -1.650 -2.489) 8.270 ======================= Grid point 103 (40/45) ======================= q-point: ( 0.44 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( -1.675 4.688 2.356) 5.508 1.776 ( -4.149 3.842 0.284) 5.662 2.123 ( 6.373 -3.027 -0.003) 7.055 2.172 ( 3.039 -2.764 -4.745) 6.276 2.372 ( 4.363 1.191 0.806) 4.594 2.415 ( 3.837 -1.733 -1.266) 4.397 2.502 ( -3.646 -2.412 1.569) 4.645 2.567 ( -4.585 -2.734 -2.731) 5.996 2.748 ( 1.846 -3.646 5.597) 6.930 2.797 ( -2.488 -3.472 0.345) 4.286 2.856 ( -0.495 -4.062 0.374) 4.109 2.886 ( -3.062 -4.539 -2.159) 5.886 3.014 ( 2.033 4.061 3.898) 5.985 3.114 ( -3.680 6.375 4.722) 8.745 3.149 ( 3.253 6.592 -5.677) 9.288 3.260 ( -3.768 5.765 -6.247) 9.298 3.448 ( 2.801 2.205 2.734) 4.493 3.507 ( -0.099 1.533 -0.092) 1.539 3.706 ( -1.087 -1.704 -2.136) 2.941 3.761 ( -3.985 -2.317 -4.430) 6.393 3.956 ( 5.445 -0.411 1.865) 5.770 3.986 ( 4.149 -1.062 -0.075) 4.284 4.119 ( -1.864 1.833 2.446) 3.580 4.157 ( -3.923 2.947 -1.186) 5.048 4.364 ( 3.403 -3.562 3.365) 5.966 4.400 ( 0.670 -3.787 0.884) 3.946 4.541 ( 4.268 1.307 3.276) 5.537 4.602 ( -0.807 1.419 -1.944) 2.539 4.909 ( 3.269 3.585 4.211) 6.424 4.980 ( -1.045 0.618 -1.355) 1.820 5.086 ( 2.842 0.693 2.476) 3.833 5.132 ( 1.450 -0.515 -2.523) 2.955 5.195 ( -0.651 4.838 2.863) 5.659 5.236 ( -2.385 3.113 -0.706) 3.984 5.353 ( -0.966 0.090 -1.343) 1.657 5.411 ( -4.302 -1.149 -4.922) 6.637 5.581 ( -1.203 -2.969 0.377) 3.226 5.596 ( -3.307 -3.292 -1.061) 4.785 5.688 ( 1.557 -4.762 -0.388) 5.025 5.699 ( 0.806 -4.696 -1.474) 4.987 6.751 ( 3.072 3.507 2.129) 5.125 6.771 ( 1.409 4.299 0.186) 4.528 6.899 ( 4.308 -1.482 1.974) 4.966 6.922 ( 2.972 -0.762 -0.324) 3.085 7.003 ( -1.665 0.747 1.956) 2.675 7.016 ( -1.857 0.803 0.756) 2.160 7.195 ( -3.118 -1.832 0.965) 3.743 7.246 ( -6.781 -2.271 -3.459) 7.944 7.841 ( -0.663 1.785 0.736) 2.041 7.852 ( -1.796 2.000 -0.415) 2.720 8.158 ( -1.542 -5.415 0.731) 5.677 8.167 ( -2.460 -5.063 -0.156) 5.631 8.804 ( 2.934 2.509 2.080) 4.385 8.817 ( 2.472 1.993 1.295) 3.429 8.931 ( 0.092 3.207 0.749) 3.295 8.973 ( -3.033 2.883 -2.939) 5.114 9.149 ( 4.699 -1.479 0.631) 4.966 9.193 ( 2.182 -1.489 -3.307) 4.233 9.299 ( -1.846 -0.687 0.790) 2.122 9.336 ( -3.502 -1.076 -2.641) 4.516 10.332 ( 0.534 7.051 0.471) 7.087 10.337 ( 0.046 7.206 -0.035) 7.206 10.810 ( 0.974 -3.263 0.409) 3.429 10.823 ( -0.266 -3.304 -0.938) 3.445 11.581 ( 5.080 1.287 2.010) 5.612 11.603 ( 3.435 1.482 0.623) 3.793 11.710 ( 4.285 -0.436 0.931) 4.406 11.759 ( 0.258 -0.910 -3.069) 3.212 12.005 ( 1.583 1.527 2.584) 3.394 12.026 ( -0.160 1.785 0.318) 1.821 12.370 ( -0.878 -8.313 0.929) 8.411 12.381 ( -2.139 -7.750 -0.097) 8.041 12.873 ( 0.350 2.898 1.439) 3.255 12.888 ( 1.049 2.336 0.309) 2.580 12.919 ( -3.135 1.848 1.834) 4.075 12.957 ( -4.544 1.076 -1.570) 4.926 13.777 ( 0.274 0.733 4.150) 4.223 13.813 ( -2.785 0.297 1.755) 3.305 13.910 ( -1.645 -0.935 -3.928) 4.360 13.933 ( -4.391 -1.039 -6.006) 7.512 15.212 ( 3.100 2.150 4.672) 6.005 15.249 ( -0.325 2.200 1.920) 2.939 15.533 ( 2.601 -3.235 -0.138) 4.153 15.589 ( -2.481 -3.336 -4.857) 6.393 16.187 ( 2.804 4.917 -0.905) 5.732 16.199 ( 1.611 4.893 -2.137) 5.577 16.681 ( 4.246 -5.273 2.435) 7.194 16.697 ( 2.712 -6.671 0.873) 7.254 17.037 ( 3.352 4.680 3.112) 6.544 17.096 ( -2.140 2.695 -2.526) 4.269 17.448 ( 2.693 -1.616 1.532) 3.494 17.496 ( -1.201 -0.089 -3.132) 3.355 17.698 ( -0.899 -0.430 1.665) 1.940 17.721 ( -2.661 -0.393 -0.279) 2.704 17.801 ( -0.500 -5.182 0.366) 5.219 17.837 ( -3.540 -3.182 -2.369) 5.316 18.550 ( 1.467 7.200 1.738) 7.551 18.569 ( -0.292 7.970 0.000) 7.976 19.132 ( 2.184 -5.795 0.695) 6.232 19.195 ( -3.531 -6.344 -5.382) 9.038 19.878 ( 4.222 2.044 1.522) 4.932 19.894 ( 3.605 2.145 0.058) 4.196 20.038 ( 0.369 0.429 1.675) 1.768 20.079 ( -2.559 -0.312 -2.379) 3.508 20.529 ( 0.247 0.915 2.204) 2.399 20.542 ( -0.609 0.780 0.991) 1.401 20.677 ( -2.428 -1.182 -0.288) 2.716 20.692 ( -3.939 -1.373 -1.723) 4.514 ======================= Grid point 108 (41/45) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 17.952 14.354) 22.985 1.654 ( 0.000 18.213 18.317) 25.831 1.773 ( 0.000 6.243 -9.606) 11.456 1.989 ( 0.000 8.698 -9.619) 12.968 2.062 ( 0.000 -6.440 4.394) 7.796 2.094 ( 0.000 -12.712 5.430) 13.824 2.262 ( 0.000 -9.172 -3.825) 9.938 2.417 ( 0.000 -16.107 -11.276) 19.661 2.626 ( 0.000 11.450 19.133) 22.298 2.775 ( 0.000 -3.245 2.849) 4.319 3.072 ( 0.000 2.136 -0.426) 2.178 3.085 ( 0.000 -1.340 1.780) 2.228 3.229 ( 0.000 3.805 2.385) 4.491 3.289 ( 0.000 3.645 5.827) 6.873 3.347 ( 0.000 -3.100 -6.354) 7.070 3.384 ( 0.000 -0.808 -4.855) 4.922 3.541 ( 0.000 3.498 1.269) 3.721 3.585 ( 0.000 3.590 -2.328) 4.279 3.639 ( 0.000 -0.041 -0.864) 0.865 3.705 ( 0.000 -6.341 -5.850) 8.628 3.825 ( 0.000 2.699 -2.263) 3.522 3.930 ( 0.000 -0.917 -5.071) 5.153 4.053 ( 0.000 -1.693 0.943) 1.938 4.113 ( 0.000 -6.915 3.540) 7.768 4.164 ( 0.000 4.070 -0.202) 4.075 4.279 ( 0.000 -3.040 -6.658) 7.320 4.376 ( 0.000 -0.363 -0.718) 0.805 4.454 ( 0.000 -3.891 -6.765) 7.804 4.957 ( 0.000 3.888 3.075) 4.957 5.004 ( 0.000 1.279 -1.373) 1.876 5.022 ( 0.000 0.136 2.948) 2.951 5.080 ( 0.000 -4.565 -1.663) 4.858 5.218 ( 0.000 3.181 0.769) 3.273 5.248 ( 0.000 1.469 0.394) 1.521 5.292 ( 0.000 0.940 -1.125) 1.466 5.341 ( 0.000 -1.423 -3.779) 4.038 5.735 ( 0.000 3.463 5.263) 6.300 5.796 ( 0.000 -1.460 0.859) 1.694 5.852 ( 0.000 5.503 1.404) 5.679 5.926 ( 0.000 -0.973 -3.870) 3.991 6.664 ( 0.000 -0.624 1.662) 1.775 6.676 ( 0.000 -1.609 0.553) 1.702 6.861 ( 0.000 0.307 2.244) 2.265 6.891 ( 0.000 -2.259 -0.745) 2.378 7.144 ( 0.000 -0.041 1.168) 1.169 7.163 ( 0.000 -1.766 -0.494) 1.834 7.251 ( 0.000 -2.892 1.173) 3.121 7.260 ( 0.000 -3.604 0.163) 3.608 8.097 ( 0.000 5.839 3.831) 6.983 8.176 ( 0.000 5.196 -4.159) 6.656 8.248 ( 0.000 -7.926 2.784) 8.401 8.304 ( 0.000 -6.719 -2.777) 7.270 8.809 ( 0.000 3.524 0.279) 3.535 8.821 ( 0.000 2.793 -0.849) 2.919 8.884 ( 0.000 -2.551 0.383) 2.580 8.892 ( 0.000 -2.640 -0.508) 2.689 9.119 ( 0.000 0.754 5.162) 5.217 9.141 ( 0.000 -1.148 5.300) 5.423 9.249 ( 0.000 1.875 -4.201) 4.601 9.289 ( 0.000 -1.725 -5.793) 6.045 10.275 ( 0.000 5.536 -0.425) 5.552 10.281 ( 0.000 5.277 -1.249) 5.423 10.481 ( 0.000 -2.602 1.182) 2.858 10.503 ( 0.000 -4.262 -1.008) 4.379 11.052 ( 0.000 4.021 0.791) 4.098 11.078 ( 0.000 4.354 -1.888) 4.745 11.144 ( 0.000 -2.209 2.307) 3.194 11.206 ( 0.000 -5.171 -3.916) 6.486 12.025 ( 0.000 1.664 9.933) 10.072 12.086 ( 0.000 -4.043 6.203) 7.404 12.480 ( 0.000 2.752 -2.679) 3.841 12.559 ( 0.000 -4.025 -8.521) 9.424 13.166 ( 0.000 1.255 3.636) 3.846 13.186 ( 0.000 -0.301 2.130) 2.151 13.435 ( 0.000 1.043 0.179) 1.059 13.443 ( 0.000 0.358 -0.693) 0.780 13.974 ( 0.000 2.497 1.023) 2.699 14.002 ( 0.000 -0.299 -1.367) 1.399 14.504 ( 0.000 -1.080 -2.541) 2.760 14.507 ( 0.000 -1.457 -2.689) 3.059 14.979 ( 0.000 0.607 3.266) 3.322 15.020 ( 0.000 -3.044 -0.392) 3.069 15.259 ( 0.000 -2.326 -0.990) 2.528 15.276 ( 0.000 -3.588 -2.494) 4.369 15.829 ( 0.000 2.222 1.380) 2.616 15.840 ( 0.000 1.152 0.304) 1.191 16.344 ( 0.000 -0.515 -0.232) 0.564 16.353 ( 0.000 -1.467 -1.213) 1.904 16.891 ( 0.000 2.446 6.126) 6.597 16.936 ( 0.000 -1.426 1.550) 2.106 17.234 ( 0.000 2.107 -0.059) 2.108 17.285 ( 0.000 -2.334 -5.053) 5.566 17.975 ( 0.000 4.483 0.750) 4.545 17.991 ( 0.000 2.925 -0.780) 3.027 18.035 ( 0.000 -1.280 1.022) 1.638 18.054 ( 0.000 -2.166 -0.873) 2.335 18.598 ( 0.000 10.851 2.707) 11.183 18.656 ( 0.000 10.223 -3.104) 10.683 18.819 ( 0.000 -8.420 1.818) 8.614 18.850 ( 0.000 -7.636 -0.701) 7.669 19.760 ( 0.000 5.672 8.691) 10.378 19.858 ( 0.000 -3.152 4.753) 5.703 19.960 ( 0.000 1.920 -10.365) 10.542 19.992 ( 0.000 -0.760 -8.616) 8.650 20.627 ( 0.000 0.316 1.775) 1.803 20.646 ( 0.000 -1.292 0.070) 1.294 21.094 ( 0.000 -2.153 1.475) 2.609 21.111 ( 0.000 -3.491 -0.332) 3.507 ======================= Grid point 109 (42/45) ======================= q-point: ( 0.11 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 4.705 18.401 13.153) 23.103 1.671 ( 3.312 15.286 13.988) 20.984 1.866 ( 6.797 7.016 -5.754) 11.337 1.998 ( -0.244 -1.375 -4.043) 4.277 2.086 ( 1.929 -9.388 5.179) 10.894 2.121 ( 4.319 -2.284 0.882) 4.965 2.259 ( 0.939 -11.115 -4.457) 12.012 2.417 ( 0.679 -14.285 -10.867) 17.961 2.703 ( 5.862 7.278 13.148) 16.131 2.803 ( 2.652 -2.215 2.628) 4.341 3.032 ( -3.416 2.923 2.460) 5.125 3.080 ( -0.793 -0.618 -1.551) 1.848 3.228 ( -3.448 -1.059 6.772) 7.673 3.260 ( -0.246 6.848 0.108) 6.853 3.291 ( -4.232 0.094 -2.876) 5.117 3.404 ( 0.397 -2.586 -7.901) 8.323 3.520 ( -1.271 3.116 1.881) 3.856 3.572 ( -2.199 4.422 -1.804) 5.258 3.611 ( -1.215 -1.799 0.142) 2.175 3.674 ( -2.775 -4.728 -3.193) 6.344 3.844 ( 1.847 3.142 -4.066) 5.460 3.896 ( -2.028 0.178 -3.424) 3.984 4.055 ( 0.447 -0.923 2.968) 3.140 4.120 ( 0.954 -3.679 0.570) 3.843 4.223 ( 4.806 2.274 -0.222) 5.322 4.325 ( 3.274 0.656 -6.574) 7.373 4.402 ( 2.471 -3.255 0.662) 4.139 4.475 ( 1.432 -4.683 -5.491) 7.357 4.927 ( -1.258 3.457 3.050) 4.779 4.980 ( -1.196 -0.157 -2.004) 2.339 5.057 ( 2.202 -0.970 1.886) 3.057 5.079 ( 0.876 -3.230 -0.092) 3.348 5.228 ( 0.461 3.891 1.118) 4.074 5.243 ( 0.568 3.069 0.047) 3.122 5.360 ( 4.373 -0.289 -0.800) 4.455 5.384 ( 3.330 -1.675 -2.250) 4.354 5.689 ( -4.225 3.598 4.615) 7.217 5.743 ( -4.458 0.367 1.148) 4.618 5.830 ( -2.890 2.965 0.727) 4.204 5.910 ( -2.071 -2.986 -5.317) 6.440 6.666 ( 0.099 0.318 1.913) 1.942 6.679 ( 0.331 -0.715 0.665) 1.031 6.850 ( -1.575 -0.884 1.559) 2.386 6.864 ( -2.431 -2.100 0.276) 3.225 7.115 ( -1.885 2.684 2.030) 3.857 7.140 ( -0.842 1.880 -0.204) 2.070 7.265 ( 0.847 -4.740 1.373) 5.007 7.298 ( 2.637 -6.286 -1.674) 7.019 8.079 ( -2.044 5.605 3.783) 7.064 8.148 ( -2.963 4.400 -2.796) 5.997 8.234 ( -1.635 -6.757 2.387) 7.350 8.288 ( -1.793 -6.905 -2.686) 7.623 8.750 ( -3.937 2.593 0.891) 4.798 8.767 ( -3.822 1.682 -0.607) 4.220 8.863 ( -0.628 -1.648 -0.060) 1.764 8.878 ( -0.984 -2.314 -1.399) 2.878 9.137 ( 1.162 1.454 4.108) 4.510 9.155 ( 1.346 0.113 3.584) 3.830 9.282 ( 2.266 0.705 -2.896) 3.744 9.314 ( 1.940 -1.850 -4.738) 5.444 10.333 ( 4.856 5.989 0.046) 7.710 10.347 ( 5.380 5.294 -1.529) 7.701 10.567 ( 6.533 -2.264 0.972) 6.982 10.590 ( 6.968 -3.866 -1.338) 8.080 11.102 ( 5.192 3.863 0.903) 6.534 11.128 ( 5.378 3.953 -1.713) 6.891 11.198 ( 5.289 -2.687 1.695) 6.170 11.252 ( 4.927 -5.158 -3.621) 8.000 12.031 ( 0.502 1.807 9.695) 9.875 12.091 ( 0.436 -3.686 6.176) 7.206 12.436 ( -4.197 2.530 -2.522) 5.512 12.518 ( -3.954 -4.476 -8.550) 10.430 13.140 ( -2.785 1.309 4.263) 5.258 13.160 ( -2.658 -0.416 3.225) 4.200 13.305 ( -10.042 2.071 -0.670) 10.276 13.331 ( -8.870 -0.454 -2.524) 9.233 13.981 ( -0.666 1.893 1.432) 2.465 13.996 ( -0.823 0.569 -0.197) 1.020 14.400 ( -8.811 0.337 -0.194) 8.820 14.446 ( -7.259 -3.811 -4.692) 9.446 15.028 ( 4.191 4.696 5.538) 8.384 15.115 ( 7.614 -0.651 -1.520) 7.791 15.225 ( -1.253 -2.942 0.615) 3.256 15.298 ( 2.955 -7.006 -5.117) 9.165 15.922 ( 7.134 2.438 0.951) 7.599 15.931 ( 8.588 1.888 0.128) 8.794 16.361 ( 0.793 -1.238 -0.249) 1.491 16.376 ( 2.212 -2.395 -1.788) 3.719 16.909 ( 2.193 4.507 5.390) 7.360 16.968 ( 3.372 -0.528 -0.251) 3.423 17.250 ( 1.121 0.468 0.938) 1.534 17.300 ( 1.158 -3.469 -3.729) 5.223 17.923 ( -3.738 5.182 1.011) 6.468 17.941 ( -3.881 3.784 -0.675) 5.462 18.020 ( -2.010 -3.178 0.612) 3.810 18.033 ( -2.345 -3.755 -0.556) 4.462 18.632 ( 1.438 8.796 2.795) 9.341 18.680 ( 1.377 7.110 -1.895) 7.486 18.864 ( 4.253 -6.001 0.782) 7.397 18.885 ( 4.809 -5.561 -1.419) 7.488 19.769 ( 0.471 5.346 7.967) 9.605 19.867 ( -0.379 -3.614 4.433) 5.732 19.956 ( 0.760 2.809 -9.331) 9.774 20.000 ( 1.100 -1.197 -7.965) 8.129 20.614 ( -1.205 0.115 1.624) 2.025 20.628 ( -1.579 -1.152 0.351) 1.986 21.037 ( -5.186 -1.117 1.595) 5.539 21.060 ( -4.888 -3.154 -0.830) 5.876 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.22 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 6.065 13.048 10.855) 18.024 1.794 ( 6.793 11.208 4.479) 13.850 1.933 ( 1.015 -1.970 1.620) 2.745 2.030 ( 1.872 -5.361 -0.782) 5.732 2.159 ( 6.549 -2.317 4.908) 8.506 2.246 ( 6.795 -2.425 0.669) 7.246 2.332 ( 5.529 -8.179 -6.430) 11.782 2.443 ( 1.439 -9.225 -10.045) 13.714 2.809 ( 4.150 3.129 6.534) 8.348 2.865 ( 1.783 -1.959 2.804) 3.858 2.948 ( -3.741 6.550 2.806) 8.048 3.029 ( -5.258 0.275 -2.881) 6.001 3.112 ( -6.696 -0.791 3.616) 7.651 3.157 ( -5.686 -2.938 -1.734) 6.631 3.286 ( -1.577 3.821 -4.470) 6.088 3.360 ( -3.814 -4.874 -8.694) 10.671 3.483 ( -2.188 2.697 1.669) 3.853 3.540 ( 0.472 6.349 -2.687) 6.910 3.607 ( 0.484 -4.604 3.310) 5.691 3.651 ( 1.598 -2.181 0.496) 2.749 3.892 ( 2.147 2.535 -1.403) 3.606 3.900 ( 3.220 2.796 -1.663) 4.577 4.081 ( 1.914 1.314 4.885) 5.408 4.147 ( 1.517 -0.870 0.076) 1.750 4.323 ( 3.798 3.718 0.146) 5.317 4.368 ( 2.037 4.882 -2.261) 5.752 4.468 ( 3.171 -5.027 -1.447) 6.117 4.499 ( 1.100 -7.266 -3.441) 8.114 4.936 ( 1.704 2.641 2.951) 4.312 4.984 ( 1.357 -0.547 -1.555) 2.135 5.079 ( -0.019 -0.026 1.121) 1.121 5.099 ( 0.343 -1.746 -0.991) 2.037 5.251 ( 2.481 5.919 2.946) 7.062 5.291 ( 3.225 3.271 -0.842) 4.670 5.420 ( 1.588 -1.491 0.787) 2.316 5.438 ( 1.504 -2.828 -0.061) 3.204 5.583 ( -5.788 2.104 2.613) 6.690 5.632 ( -5.784 -0.291 -0.654) 5.828 5.735 ( -6.092 1.514 0.446) 6.293 5.824 ( -6.508 -5.141 -6.676) 10.647 6.674 ( 1.149 1.645 2.735) 3.392 6.697 ( 1.697 -0.002 0.445) 1.754 6.808 ( -1.284 -0.618 1.167) 1.842 6.823 ( -1.014 -1.624 -0.105) 1.917 7.097 ( -0.382 4.266 2.910) 5.178 7.135 ( -0.048 3.525 -0.157) 3.529 7.271 ( -0.845 -5.012 1.602) 5.329 7.327 ( -0.299 -7.542 -3.248) 8.217 8.013 ( -4.082 4.648 3.455) 7.086 8.066 ( -4.683 3.131 -1.412) 5.807 8.168 ( -4.613 -5.123 2.238) 7.249 8.218 ( -4.955 -6.524 -2.389) 8.534 8.722 ( 1.517 2.319 0.707) 2.860 8.737 ( 1.256 1.353 -0.538) 1.923 8.876 ( 1.934 -1.873 -0.937) 2.851 8.879 ( 1.597 -1.875 -0.983) 2.652 9.156 ( 0.534 2.790 2.822) 4.004 9.181 ( 0.804 1.254 1.357) 2.015 9.316 ( 0.868 -0.439 -1.505) 1.792 9.346 ( 0.917 -2.389 -3.668) 4.472 10.429 ( 4.009 6.802 0.542) 7.914 10.450 ( 4.098 5.950 -1.660) 7.414 10.674 ( 3.259 -2.266 1.432) 4.219 10.702 ( 3.290 -3.931 -1.588) 5.366 11.260 ( 9.923 3.496 1.698) 10.657 11.300 ( 10.866 3.841 -1.781) 11.662 11.346 ( 9.107 -3.148 1.709) 9.786 11.409 ( 9.975 -4.955 -4.047) 11.850 12.043 ( 0.612 2.465 8.673) 9.037 12.102 ( 0.564 -2.180 5.444) 5.891 12.330 ( -5.685 0.810 -1.883) 6.043 12.411 ( -6.134 -5.631 -7.548) 11.239 13.047 ( -5.973 1.514 4.956) 7.908 13.070 ( -5.903 -0.465 5.322) 7.962 13.132 ( -6.181 2.572 -3.417) 7.516 13.168 ( -6.461 -0.864 -4.316) 7.818 13.931 ( -3.696 2.221 3.153) 5.342 13.961 ( -2.849 -0.120 0.524) 2.900 14.184 ( -11.307 1.527 -0.018) 11.410 14.246 ( -11.228 -3.889 -5.699) 13.178 15.113 ( 4.102 5.191 6.420) 9.219 15.206 ( 1.908 -0.047 0.538) 1.982 15.305 ( 7.507 -1.767 -0.049) 7.712 15.403 ( 6.165 -7.396 -6.488) 11.610 16.082 ( 7.971 5.518 2.286) 9.960 16.129 ( 10.034 3.272 -1.817) 10.709 16.371 ( 0.656 -2.812 0.616) 2.952 16.423 ( 2.461 -5.317 -3.954) 7.068 16.986 ( 5.054 7.161 5.292) 10.239 17.069 ( 6.016 1.462 -2.506) 6.679 17.262 ( 0.030 -2.982 2.483) 3.881 17.319 ( 0.757 -6.131 -2.769) 6.769 17.849 ( -3.704 3.975 0.962) 5.518 17.862 ( -3.779 3.053 -0.172) 4.862 17.955 ( -4.190 -2.629 0.402) 4.963 17.969 ( -3.733 -3.999 -0.801) 5.529 18.640 ( 0.307 6.397 3.152) 7.138 18.692 ( 0.373 3.454 -1.622) 3.834 18.967 ( 4.329 -2.337 1.311) 5.092 19.015 ( 6.178 -4.987 -3.329) 8.610 19.775 ( 0.705 3.567 4.648) 5.901 19.830 ( -1.858 -1.181 0.381) 2.234 20.005 ( 3.065 1.739 -2.845) 4.529 20.041 ( 2.543 -1.347 -5.434) 6.149 20.585 ( -1.508 0.004 1.414) 2.067 20.592 ( -1.707 -0.586 0.860) 1.999 20.905 ( -7.338 0.009 1.162) 7.430 20.930 ( -7.511 -2.243 -1.342) 7.953 ======================= Grid point 111 (44/45) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 5.496 5.153 5.477) 9.314 1.879 ( 1.925 2.414 -0.521) 3.131 1.987 ( 3.151 -0.552 4.079) 5.183 2.048 ( 1.255 -3.116 -2.032) 3.926 2.298 ( 6.073 0.476 5.039) 7.906 2.361 ( 3.118 -4.053 2.256) 5.589 2.432 ( 3.411 -0.822 -5.118) 6.206 2.473 ( 2.304 -3.762 -5.254) 6.860 2.787 ( -5.365 1.866 3.038) 6.441 2.839 ( -3.574 -1.680 2.875) 4.885 2.886 ( -7.165 1.895 -4.687) 8.770 2.913 ( -4.579 0.066 -1.500) 4.819 3.032 ( 1.579 1.358 4.766) 5.201 3.106 ( 1.892 -3.326 1.975) 4.306 3.235 ( 0.004 0.575 -7.511) 7.533 3.313 ( 0.415 -4.240 -9.401) 10.321 3.488 ( 0.670 5.621 3.281) 6.542 3.549 ( -0.132 6.301 -1.216) 6.418 3.631 ( 1.201 -4.672 2.178) 5.293 3.693 ( 1.263 -4.901 -1.785) 5.367 3.943 ( 2.318 3.895 1.979) 4.945 3.972 ( 3.293 2.879 -0.051) 4.374 4.110 ( 0.297 -0.549 5.129) 5.167 4.166 ( 0.090 -3.129 0.130) 3.133 4.372 ( 2.403 6.602 2.470) 7.447 4.414 ( 1.076 5.519 -1.360) 5.785 4.501 ( 0.515 -3.304 0.810) 3.441 4.547 ( 3.388 -5.480 -3.306) 7.241 4.962 ( 0.529 2.603 2.784) 3.847 5.000 ( -0.367 -0.316 -0.855) 0.983 5.074 ( -0.335 1.289 1.051) 1.697 5.101 ( 0.296 -0.626 -1.762) 1.893 5.298 ( 1.551 6.125 2.151) 6.675 5.337 ( 0.780 6.073 -1.243) 6.248 5.418 ( -1.053 -2.908 1.511) 3.443 5.435 ( -2.479 -2.226 -0.018) 3.332 5.505 ( -0.521 -2.695 2.832) 3.944 5.562 ( -0.885 -5.000 -0.706) 5.126 5.608 ( -5.691 0.963 -2.162) 6.164 5.674 ( -7.153 -4.258 -6.213) 10.387 6.727 ( 4.112 2.125 3.077) 5.558 6.757 ( 4.244 -0.099 0.547) 4.280 6.821 ( 2.299 0.609 0.899) 2.543 6.842 ( 2.716 -1.018 -0.681) 2.979 7.077 ( -1.742 3.835 2.844) 5.082 7.119 ( -1.814 3.260 -0.663) 3.790 7.217 ( -4.283 -3.739 1.694) 5.932 7.277 ( -4.472 -6.186 -3.443) 8.373 7.937 ( -2.940 4.070 2.542) 5.628 7.976 ( -3.848 3.257 -1.095) 5.159 8.078 ( -3.730 -5.395 1.777) 6.796 8.115 ( -4.663 -6.072 -1.680) 7.838 8.790 ( 4.520 2.871 0.918) 5.433 8.797 ( 4.024 2.318 0.362) 4.658 8.928 ( 3.109 -1.303 0.328) 3.387 8.945 ( 4.089 -2.887 -1.541) 5.237 9.152 ( -0.907 3.810 1.354) 4.144 9.183 ( -0.301 2.035 -1.155) 2.359 9.309 ( -1.676 -1.366 -0.385) 2.197 9.341 ( -1.581 -3.047 -3.082) 4.613 10.488 ( 1.946 7.862 0.660) 8.126 10.507 ( 1.669 7.493 -1.303) 7.787 10.704 ( 0.220 -4.199 1.381) 4.426 10.729 ( -0.140 -5.191 -1.263) 5.345 11.468 ( 9.697 2.773 2.696) 10.440 11.512 ( 9.078 1.528 1.051) 9.266 11.546 ( 9.582 -0.665 -0.458) 9.616 11.609 ( 8.686 -3.719 -3.955) 10.243 12.052 ( 0.272 3.772 6.035) 7.122 12.106 ( -0.342 1.781 2.182) 2.837 12.231 ( -3.616 -4.288 0.072) 5.609 12.291 ( -5.261 -6.820 -4.240) 9.600 12.947 ( -3.213 1.848 2.993) 4.764 12.967 ( -3.666 0.308 2.003) 4.189 13.027 ( -4.473 1.781 -0.888) 4.895 13.056 ( -4.916 -0.708 -2.725) 5.666 13.851 ( -3.786 2.143 4.251) 6.082 13.888 ( -4.059 -0.900 1.806) 4.533 13.988 ( -7.364 1.307 -2.480) 7.879 14.035 ( -8.885 -2.665 -5.898) 10.993 15.198 ( 4.199 3.761 6.011) 8.240 15.258 ( 3.049 -0.413 2.358) 3.876 15.418 ( 3.295 -0.142 -0.543) 3.342 15.495 ( 2.283 -5.740 -5.958) 8.583 16.227 ( 6.176 7.631 1.906) 10.000 16.292 ( 5.155 8.273 -4.530) 10.749 16.420 ( 4.667 -8.334 2.520) 9.879 16.486 ( 3.561 -7.412 -3.781) 9.051 17.086 ( 4.431 7.997 5.093) 10.465 17.172 ( 3.215 6.253 -3.195) 7.722 17.277 ( 2.528 -7.692 3.995) 9.029 17.353 ( 3.044 -8.259 -3.353) 9.419 17.764 ( -4.475 1.903 1.316) 5.038 17.783 ( -4.112 0.405 -0.418) 4.153 17.857 ( -5.430 0.287 0.655) 5.477 17.886 ( -4.561 -2.261 -1.854) 5.418 18.666 ( 2.393 6.761 3.237) 7.869 18.717 ( 2.154 4.246 -1.326) 4.942 19.001 ( -0.716 -2.529 1.844) 3.211 19.077 ( -0.477 -7.502 -5.300) 9.198 19.824 ( 4.243 1.881 2.280) 5.171 19.841 ( 3.330 0.520 0.840) 3.473 20.052 ( 1.216 1.348 -0.760) 1.968 20.080 ( 0.878 -1.184 -3.417) 3.722 20.558 ( -0.960 0.608 1.838) 2.161 20.567 ( -0.808 -0.031 1.063) 1.336 20.758 ( -6.776 0.014 0.189) 6.779 20.777 ( -7.204 -1.623 -1.595) 7.555 ======================= Grid point 112 (45/45) ======================= q-point: ( 0.44 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 0.578 4.808 4.993) 6.956 1.881 ( -1.358 4.427 3.784) 5.980 2.046 ( 3.125 -2.856 -2.100) 4.725 2.086 ( 0.435 -4.851 -5.228) 7.145 2.393 ( 3.884 -0.052 1.231) 4.075 2.401 ( 2.871 0.568 0.040) 2.927 2.452 ( -1.019 -0.614 -1.525) 1.934 2.498 ( -2.473 -3.435 -4.104) 5.896 2.712 ( -0.733 0.467 2.433) 2.583 2.757 ( -4.117 -2.151 0.433) 4.665 2.770 ( -1.990 -1.400 -1.001) 2.631 2.802 ( -4.292 -2.938 -2.103) 5.610 3.130 ( 6.914 5.864 7.243) 11.604 3.207 ( 3.663 0.618 6.554) 7.533 3.282 ( 2.802 4.479 -5.191) 7.406 3.338 ( -0.521 0.437 -4.213) 4.267 3.503 ( 1.980 3.159 0.331) 3.744 3.529 ( -0.736 3.583 -1.580) 3.984 3.624 ( -1.159 -5.272 -1.415) 5.580 3.671 ( -3.491 -6.019 -3.776) 7.917 3.987 ( 2.276 3.564 2.719) 5.027 4.014 ( 0.461 3.191 1.046) 3.390 4.104 ( 0.205 -3.402 1.729) 3.822 4.141 ( -2.491 -4.688 -1.084) 5.418 4.403 ( 0.923 5.909 2.041) 6.319 4.426 ( -0.491 7.003 0.069) 7.020 4.524 ( 2.825 -3.192 3.085) 5.262 4.580 ( -1.089 -4.437 -1.689) 4.871 4.984 ( 1.903 2.506 2.031) 3.745 5.002 ( 1.016 0.990 0.446) 1.487 5.064 ( -0.218 -0.722 1.118) 1.348 5.093 ( -1.648 -2.189 -1.351) 3.055 5.321 ( 1.009 4.472 0.919) 4.675 5.339 ( -0.050 4.246 0.366) 4.262 5.376 ( -1.762 2.486 -1.057) 3.226 5.400 ( -1.955 0.854 -1.565) 2.646 5.507 ( 0.024 -3.774 0.551) 3.814 5.521 ( -1.756 -2.221 -0.711) 2.919 5.567 ( 0.196 -5.516 -1.865) 5.826 5.583 ( -1.712 -5.007 -2.924) 6.045 6.822 ( 4.475 2.528 2.880) 5.892 6.850 ( 3.421 1.056 0.738) 3.656 6.876 ( 2.470 0.379 1.878) 3.126 6.900 ( 1.731 -1.077 -0.008) 2.039 7.038 ( -1.181 3.165 1.774) 3.815 7.066 ( -2.933 3.569 -1.057) 4.739 7.132 ( -2.389 -3.633 0.529) 4.380 7.171 ( -5.014 -4.487 -2.770) 7.277 7.905 ( -0.223 4.285 1.027) 4.412 7.921 ( -1.635 4.265 -0.471) 4.592 8.028 ( -1.058 -6.069 0.854) 6.220 8.042 ( -2.383 -6.021 -0.555) 6.499 8.876 ( 3.166 3.407 2.127) 5.115 8.880 ( 3.316 3.353 1.959) 5.107 8.974 ( 1.171 -0.029 0.207) 1.190 8.999 ( -0.111 -1.764 -1.877) 2.578 9.150 ( 1.955 2.764 0.302) 3.399 9.187 ( 0.419 1.157 -2.911) 3.160 9.258 ( -2.216 -2.439 -0.254) 3.305 9.287 ( -3.364 -3.336 -2.813) 5.510 10.516 ( 0.939 9.206 0.470) 9.265 10.524 ( 0.172 9.315 -0.397) 9.325 10.703 ( 0.090 -6.668 0.529) 6.690 10.714 ( -0.942 -6.831 -0.640) 6.925 11.619 ( 4.629 2.040 3.109) 5.938 11.639 ( 2.851 1.090 2.961) 4.252 11.697 ( 4.963 -0.147 -1.864) 5.303 11.727 ( 2.389 -2.005 -2.872) 4.240 12.060 ( 0.883 3.999 2.381) 4.737 12.088 ( -1.373 4.150 -0.498) 4.400 12.188 ( -0.517 -7.758 1.359) 7.893 12.212 ( -2.572 -7.246 -1.010) 7.755 12.919 ( 0.107 1.413 1.642) 2.169 12.927 ( -0.477 0.892 1.444) 1.763 12.957 ( -2.091 1.461 -0.156) 2.556 12.973 ( -3.102 0.114 -1.132) 3.304 13.798 ( -1.011 1.109 3.765) 4.053 13.816 ( -2.569 -0.310 2.887) 3.877 13.894 ( -2.083 -0.203 -4.510) 4.972 13.907 ( -3.542 -1.190 -5.308) 6.491 15.275 ( 3.133 3.413 6.061) 7.629 15.304 ( 0.685 1.905 4.973) 5.369 15.458 ( 1.595 -2.360 -3.150) 4.247 15.496 ( -1.646 -4.628 -5.169) 7.131 16.325 ( 3.251 7.980 -0.288) 8.621 16.349 ( 0.865 8.571 -2.812) 9.062 16.512 ( 3.218 -9.215 0.794) 9.792 16.537 ( 0.832 -8.529 -1.642) 8.725 17.168 ( 3.615 7.091 3.589) 8.731 17.205 ( 0.301 6.752 0.528) 6.779 17.354 ( 4.001 -6.296 1.390) 7.588 17.404 ( 0.218 -7.615 -2.832) 8.127 17.702 ( -0.588 1.035 0.897) 1.491 17.722 ( -0.594 -0.674 -1.068) 1.395 17.750 ( -4.403 0.853 0.978) 4.590 17.785 ( -5.063 -1.933 -2.194) 5.846 18.726 ( 2.984 8.461 2.984) 9.455 18.756 ( 0.677 8.081 0.642) 8.134 18.980 ( -0.024 -7.059 -0.950) 7.123 19.024 ( -3.617 -8.791 -4.724) 10.615 19.924 ( 4.604 1.775 2.538) 5.548 19.934 ( 4.278 1.012 1.922) 4.797 20.048 ( -1.164 0.613 -1.452) 1.959 20.066 ( -2.157 -0.888 -2.834) 3.671 20.553 ( 0.466 1.090 2.665) 2.917 20.560 ( 0.043 0.568 2.185) 2.258 20.651 ( -3.192 -0.777 -1.550) 3.632 20.659 ( -3.832 -1.380 -2.118) 4.591 =================== 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 3/24300 10.0 1138.219 973.269 1472.186 0.000 0.000 0.000 3/24300 20.0 211.426 188.595 218.521 0.000 0.000 0.000 3/24300 30.0 74.431 69.188 75.166 0.000 0.000 0.000 3/24300 40.0 38.342 36.120 38.495 0.000 0.000 0.000 3/24300 50.0 24.217 22.944 24.255 0.000 0.000 0.000 3/24300 60.0 17.233 16.376 17.227 0.000 0.000 0.000 3/24300 70.0 13.223 12.589 13.193 0.000 0.000 0.000 3/24300 80.0 10.676 10.174 10.628 0.000 0.000 0.000 3/24300 90.0 8.935 8.520 8.873 0.000 0.000 0.000 3/24300 100.0 7.680 7.324 7.607 0.000 0.000 0.000 3/24300 110.0 6.735 6.422 6.654 0.000 0.000 0.000 3/24300 120.0 6.000 5.719 5.913 0.000 0.000 0.000 3/24300 130.0 5.413 5.157 5.321 0.000 0.000 0.000 3/24300 140.0 4.934 4.698 4.838 0.000 0.000 0.000 3/24300 150.0 4.535 4.315 4.436 0.000 0.000 0.000 3/24300 160.0 4.198 3.992 4.097 0.000 0.000 0.000 3/24300 170.0 3.909 3.715 3.808 0.000 0.000 0.000 3/24300 180.0 3.659 3.475 3.557 0.000 0.000 0.000 3/24300 190.0 3.440 3.265 3.338 0.000 0.000 0.000 3/24300 200.0 3.247 3.080 3.146 0.000 0.000 0.000 3/24300 210.0 3.075 2.916 2.974 0.000 0.000 0.000 3/24300 220.0 2.922 2.769 2.822 0.000 0.000 0.000 3/24300 230.0 2.783 2.636 2.684 0.000 0.000 0.000 3/24300 240.0 2.658 2.516 2.560 0.000 0.000 0.000 3/24300 250.0 2.543 2.407 2.447 0.000 0.000 0.000 3/24300 260.0 2.439 2.307 2.343 0.000 0.000 0.000 3/24300 270.0 2.343 2.215 2.249 0.000 0.000 0.000 3/24300 280.0 2.254 2.131 2.162 0.000 0.000 0.000 3/24300 290.0 2.172 2.053 2.081 0.000 0.000 0.000 3/24300 300.0 2.096 1.980 2.007 0.000 0.000 0.000 3/24300 310.0 2.026 1.913 1.938 0.000 0.000 0.000 3/24300 320.0 1.960 1.850 1.873 0.000 0.000 0.000 3/24300 330.0 1.898 1.791 1.813 0.000 0.000 0.000 3/24300 340.0 1.840 1.736 1.757 0.000 0.000 0.000 3/24300 350.0 1.786 1.685 1.704 0.000 0.000 0.000 3/24300 360.0 1.734 1.636 1.654 0.000 0.000 0.000 3/24300 370.0 1.686 1.590 1.607 0.000 0.000 0.000 3/24300 380.0 1.641 1.547 1.563 0.000 0.000 0.000 3/24300 390.0 1.597 1.506 1.521 0.000 0.000 0.000 3/24300 400.0 1.557 1.467 1.481 0.000 0.000 0.000 3/24300 410.0 1.518 1.430 1.444 0.000 0.000 0.000 3/24300 420.0 1.481 1.395 1.408 0.000 0.000 0.000 3/24300 430.0 1.446 1.362 1.374 0.000 0.000 0.000 3/24300 440.0 1.412 1.330 1.342 0.000 0.000 0.000 3/24300 450.0 1.380 1.300 1.311 0.000 0.000 0.000 3/24300 460.0 1.350 1.271 1.282 0.000 0.000 0.000 3/24300 470.0 1.321 1.244 1.254 0.000 0.000 0.000 3/24300 480.0 1.293 1.217 1.227 0.000 0.000 0.000 3/24300 490.0 1.266 1.192 1.201 0.000 0.000 0.000 3/24300 500.0 1.240 1.168 1.177 0.000 0.000 0.000 3/24300 510.0 1.216 1.144 1.153 0.000 0.000 0.000 3/24300 520.0 1.192 1.122 1.130 0.000 0.000 0.000 3/24300 530.0 1.169 1.100 1.108 0.000 0.000 0.000 3/24300 540.0 1.147 1.080 1.087 0.000 0.000 0.000 3/24300 550.0 1.126 1.060 1.067 0.000 0.000 0.000 3/24300 560.0 1.106 1.041 1.048 0.000 0.000 0.000 3/24300 570.0 1.086 1.022 1.029 0.000 0.000 0.000 3/24300 580.0 1.067 1.004 1.011 0.000 0.000 0.000 3/24300 590.0 1.049 0.987 0.993 0.000 0.000 0.000 3/24300 600.0 1.031 0.970 0.977 0.000 0.000 0.000 3/24300 610.0 1.014 0.954 0.960 0.000 0.000 0.000 3/24300 620.0 0.998 0.939 0.945 0.000 0.000 0.000 3/24300 630.0 0.982 0.924 0.929 0.000 0.000 0.000 3/24300 640.0 0.966 0.909 0.915 0.000 0.000 0.000 3/24300 650.0 0.951 0.895 0.900 0.000 0.000 0.000 3/24300 660.0 0.937 0.881 0.886 0.000 0.000 0.000 3/24300 670.0 0.923 0.868 0.873 0.000 0.000 0.000 3/24300 680.0 0.909 0.855 0.860 0.000 0.000 0.000 3/24300 690.0 0.896 0.843 0.847 0.000 0.000 0.000 3/24300 700.0 0.883 0.831 0.835 0.000 0.000 0.000 3/24300 710.0 0.871 0.819 0.823 0.000 0.000 0.000 3/24300 720.0 0.858 0.807 0.812 0.000 0.000 0.000 3/24300 730.0 0.847 0.796 0.800 0.000 0.000 0.000 3/24300 740.0 0.835 0.785 0.789 0.000 0.000 0.000 3/24300 750.0 0.824 0.775 0.779 0.000 0.000 0.000 3/24300 760.0 0.813 0.764 0.768 0.000 0.000 0.000 3/24300 770.0 0.802 0.754 0.758 0.000 0.000 0.000 3/24300 780.0 0.792 0.745 0.749 0.000 0.000 0.000 3/24300 790.0 0.782 0.735 0.739 0.000 0.000 0.000 3/24300 800.0 0.772 0.726 0.730 0.000 0.000 0.000 3/24300 810.0 0.763 0.717 0.721 0.000 0.000 0.000 3/24300 820.0 0.753 0.708 0.712 0.000 0.000 0.000 3/24300 830.0 0.744 0.700 0.703 0.000 0.000 0.000 3/24300 840.0 0.735 0.691 0.695 0.000 0.000 0.000 3/24300 850.0 0.727 0.683 0.686 0.000 0.000 0.000 3/24300 860.0 0.718 0.675 0.678 0.000 0.000 0.000 3/24300 870.0 0.710 0.667 0.670 0.000 0.000 0.000 3/24300 880.0 0.702 0.660 0.663 0.000 0.000 0.000 3/24300 890.0 0.694 0.652 0.655 0.000 0.000 0.000 3/24300 900.0 0.686 0.645 0.648 0.000 0.000 0.000 3/24300 910.0 0.679 0.638 0.641 0.000 0.000 0.000 3/24300 920.0 0.671 0.631 0.634 0.000 0.000 0.000 3/24300 930.0 0.664 0.624 0.627 0.000 0.000 0.000 3/24300 940.0 0.657 0.617 0.620 0.000 0.000 0.000 3/24300 950.0 0.650 0.611 0.614 0.000 0.000 0.000 3/24300 960.0 0.643 0.604 0.607 0.000 0.000 0.000 3/24300 970.0 0.636 0.598 0.601 0.000 0.000 0.000 3/24300 980.0 0.630 0.592 0.595 0.000 0.000 0.000 3/24300 990.0 0.624 0.586 0.589 0.000 0.000 0.000 3/24300 1000.0 0.617 0.580 0.583 0.000 0.000 0.000 3/24300 Thermal conductivity related properties were written into "kappa-m955.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:22:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|