----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:29:33]------------------------- 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: [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.858657320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.455428950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.244262180000000 Atomic positions (fractional): *1 B 0.24857285988039 0.17591430660189 0.99822637777625 10.811 2 B 0.25142714011961 0.82408569339811 0.49822637777626 10.811 *3 B 0.37811247207816 0.67464871398136 0.02312870556501 10.811 4 B 0.12188752792184 0.32535128601864 0.52312870556501 10.811 5 B 0.87811247207816 0.32535128601864 0.52312870556501 10.811 6 B 0.62188752792184 0.67464871398136 0.02312870556501 10.811 7 B 0.74857285988039 0.82408569339811 0.49822637777626 10.811 8 B 0.75142714011961 0.17591430660189 0.99822637777625 10.811 *9 O 0.14390830539503 0.64014439079461 0.45036479663229 15.999 *10 O 0.36392257817838 0.73094542818969 0.35711343888710 15.999 11 O 0.13607742182162 0.26905457181031 0.85711343888710 15.999 12 O 0.86392257817838 0.26905457181031 0.85711343888710 15.999 *13 O 0.71976431327044 0.87096120336268 0.85250313990355 15.999 14 O 0.78023568672956 0.12903879663732 0.35250313990355 15.999 15 O 0.21976431327044 0.12903879663732 0.35250313990355 15.999 16 O 0.28023568672956 0.87096120336268 0.85250313990355 15.999 17 O 0.64390830539503 0.35985560920539 0.95036479663229 15.999 18 O 0.85609169460497 0.64014439079461 0.45036479663229 15.999 *19 O 0.50000000000000 0.76591203879111 0.91468700224578 15.999 20 O 0.00000000000000 0.23408796120889 0.41468700224578 15.999 21 O 0.63607742182162 0.73094542818969 0.35711343888710 15.999 22 O 0.35609169460497 0.35985560920539 0.95036479663229 15.999 *23 Pb 0.50000000000000 0.19671091018284 0.52844010022580 207.200 24 Pb 0.00000000000000 0.80328908981716 0.02844010022580 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.858657320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.455428950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.244262180000000 Atomic positions (fractional): *1 B 0.24857285988039 0.17591430660189 0.99822637777626 10.811 > 1 2 B 0.25142714011961 0.82408569339811 0.49822637777626 10.811 > 2 *3 B 0.37811247207816 0.67464871398136 0.02312870556501 10.811 > 3 4 B 0.12188752792184 0.32535128601864 0.52312870556501 10.811 > 4 5 B 0.87811247207816 0.32535128601864 0.52312870556501 10.811 > 5 6 B 0.62188752792184 0.67464871398136 0.02312870556501 10.811 > 6 7 B 0.74857285988039 0.82408569339811 0.49822637777626 10.811 > 7 8 B 0.75142714011961 0.17591430660189 0.99822637777626 10.811 > 8 *9 O 0.14390830539503 0.64014439079461 0.45036479663229 15.999 > 9 *10 O 0.36392257817838 0.73094542818969 0.35711343888710 15.999 > 10 11 O 0.13607742182162 0.26905457181031 0.85711343888710 15.999 > 11 12 O 0.86392257817838 0.26905457181031 0.85711343888710 15.999 > 12 *13 O 0.71976431327044 0.87096120336268 0.85250313990355 15.999 > 13 14 O 0.78023568672956 0.12903879663732 0.35250313990355 15.999 > 14 15 O 0.21976431327044 0.12903879663732 0.35250313990355 15.999 > 15 16 O 0.28023568672956 0.87096120336268 0.85250313990355 15.999 > 16 17 O 0.64390830539503 0.35985560920539 0.95036479663229 15.999 > 17 18 O 0.85609169460497 0.64014439079461 0.45036479663229 15.999 > 18 *19 O 0.50000000000000 0.76591203879111 0.91468700224578 15.999 > 19 20 O 0.00000000000000 0.23408796120889 0.41468700224578 15.999 > 20 21 O 0.63607742182162 0.73094542818969 0.35711343888710 15.999 > 21 22 O 0.35609169460497 0.35985560920539 0.95036479663229 15.999 > 22 *23 Pb 0.50000000000000 0.19671091018284 0.52844010022580 207.200 > 23 24 Pb 0.00000000000000 0.80328908981716 0.02844010022580 207.200 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.858657320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.910857900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.732786539999999 Atomic positions (fractional): *1 B 0.24857285988039 0.08795715330095 0.33274212592542 10.811 > 1 2 B 0.24857285988039 0.58795715330095 0.33274212592542 10.811 > 1 3 B 0.24857285988039 0.08795715330095 0.66607545925875 10.811 > 1 4 B 0.24857285988039 0.58795715330095 0.66607545925875 10.811 > 1 5 B 0.24857285988039 0.08795715330095 0.99940879259208 10.811 > 1 6 B 0.24857285988039 0.58795715330095 0.99940879259208 10.811 > 1 7 B 0.25142714011961 0.41204284669905 0.16607545925875 10.811 > 2 8 B 0.25142714011961 0.91204284669905 0.16607545925875 10.811 > 2 9 B 0.25142714011961 0.41204284669905 0.49940879259208 10.811 > 2 10 B 0.25142714011961 0.91204284669905 0.49940879259208 10.811 > 2 11 B 0.25142714011961 0.41204284669905 0.83274212592542 10.811 > 2 12 B 0.25142714011961 0.91204284669905 0.83274212592542 10.811 > 2 *13 B 0.37811247207816 0.33732435699068 0.00770956852167 10.811 > 3 14 B 0.37811247207816 0.83732435699068 0.00770956852167 10.811 > 3 15 B 0.37811247207816 0.33732435699068 0.34104290185500 10.811 > 3 16 B 0.37811247207816 0.83732435699068 0.34104290185500 10.811 > 3 17 B 0.37811247207816 0.33732435699068 0.67437623518834 10.811 > 3 18 B 0.37811247207816 0.83732435699068 0.67437623518834 10.811 > 3 19 B 0.12188752792184 0.16267564300932 0.17437623518834 10.811 > 4 20 B 0.12188752792184 0.66267564300932 0.17437623518834 10.811 > 4 21 B 0.12188752792184 0.16267564300932 0.50770956852167 10.811 > 4 22 B 0.12188752792184 0.66267564300932 0.50770956852167 10.811 > 4 23 B 0.12188752792184 0.16267564300932 0.84104290185500 10.811 > 4 24 B 0.12188752792184 0.66267564300932 0.84104290185500 10.811 > 4 25 B 0.87811247207816 0.16267564300932 0.17437623518834 10.811 > 5 26 B 0.87811247207816 0.66267564300932 0.17437623518834 10.811 > 5 27 B 0.87811247207816 0.16267564300932 0.50770956852167 10.811 > 5 28 B 0.87811247207816 0.66267564300932 0.50770956852167 10.811 > 5 29 B 0.87811247207816 0.16267564300932 0.84104290185500 10.811 > 5 30 B 0.87811247207816 0.66267564300932 0.84104290185500 10.811 > 5 31 B 0.62188752792184 0.33732435699068 0.00770956852167 10.811 > 6 32 B 0.62188752792184 0.83732435699068 0.00770956852167 10.811 > 6 33 B 0.62188752792184 0.33732435699068 0.34104290185500 10.811 > 6 34 B 0.62188752792184 0.83732435699068 0.34104290185500 10.811 > 6 35 B 0.62188752792184 0.33732435699068 0.67437623518834 10.811 > 6 36 B 0.62188752792184 0.83732435699068 0.67437623518834 10.811 > 6 37 B 0.74857285988039 0.41204284669905 0.16607545925875 10.811 > 7 38 B 0.74857285988039 0.91204284669905 0.16607545925875 10.811 > 7 39 B 0.74857285988039 0.41204284669905 0.49940879259208 10.811 > 7 40 B 0.74857285988039 0.91204284669905 0.49940879259208 10.811 > 7 41 B 0.74857285988039 0.41204284669905 0.83274212592542 10.811 > 7 42 B 0.74857285988039 0.91204284669905 0.83274212592542 10.811 > 7 43 B 0.75142714011961 0.08795715330095 0.33274212592542 10.811 > 8 44 B 0.75142714011961 0.58795715330095 0.33274212592542 10.811 > 8 45 B 0.75142714011961 0.08795715330095 0.66607545925875 10.811 > 8 46 B 0.75142714011961 0.58795715330095 0.66607545925875 10.811 > 8 47 B 0.75142714011961 0.08795715330095 0.99940879259208 10.811 > 8 48 B 0.75142714011961 0.58795715330095 0.99940879259208 10.811 > 8 *49 O 0.14390830539503 0.32007219539731 0.15012159887743 15.999 > 9 50 O 0.14390830539503 0.82007219539731 0.15012159887743 15.999 > 9 51 O 0.14390830539503 0.32007219539731 0.48345493221076 15.999 > 9 52 O 0.14390830539503 0.82007219539731 0.48345493221076 15.999 > 9 53 O 0.14390830539503 0.32007219539731 0.81678826554410 15.999 > 9 54 O 0.14390830539503 0.82007219539731 0.81678826554410 15.999 > 9 *55 O 0.36392257817838 0.36547271409484 0.11903781296237 15.999 > 10 56 O 0.36392257817838 0.86547271409485 0.11903781296237 15.999 > 10 57 O 0.36392257817838 0.36547271409484 0.45237114629570 15.999 > 10 58 O 0.36392257817838 0.86547271409485 0.45237114629570 15.999 > 10 59 O 0.36392257817838 0.36547271409484 0.78570447962903 15.999 > 10 60 O 0.36392257817838 0.86547271409485 0.78570447962903 15.999 > 10 61 O 0.13607742182162 0.13452728590516 0.28570447962903 15.999 > 11 62 O 0.13607742182162 0.63452728590515 0.28570447962903 15.999 > 11 63 O 0.13607742182162 0.13452728590516 0.61903781296237 15.999 > 11 64 O 0.13607742182162 0.63452728590515 0.61903781296237 15.999 > 11 65 O 0.13607742182162 0.13452728590516 0.95237114629570 15.999 > 11 66 O 0.13607742182162 0.63452728590515 0.95237114629570 15.999 > 11 67 O 0.86392257817838 0.13452728590516 0.28570447962903 15.999 > 12 68 O 0.86392257817838 0.63452728590515 0.28570447962903 15.999 > 12 69 O 0.86392257817838 0.13452728590516 0.61903781296237 15.999 > 12 70 O 0.86392257817838 0.63452728590515 0.61903781296237 15.999 > 12 71 O 0.86392257817838 0.13452728590516 0.95237114629570 15.999 > 12 72 O 0.86392257817838 0.63452728590515 0.95237114629570 15.999 > 12 *73 O 0.71976431327044 0.43548060168134 0.28416771330118 15.999 > 13 74 O 0.71976431327044 0.93548060168134 0.28416771330118 15.999 > 13 75 O 0.71976431327044 0.43548060168134 0.61750104663452 15.999 > 13 76 O 0.71976431327044 0.93548060168134 0.61750104663452 15.999 > 13 77 O 0.71976431327044 0.43548060168134 0.95083437996785 15.999 > 13 78 O 0.71976431327044 0.93548060168134 0.95083437996785 15.999 > 13 79 O 0.78023568672956 0.06451939831866 0.11750104663452 15.999 > 14 80 O 0.78023568672956 0.56451939831866 0.11750104663452 15.999 > 14 81 O 0.78023568672956 0.06451939831866 0.45083437996785 15.999 > 14 82 O 0.78023568672956 0.56451939831866 0.45083437996785 15.999 > 14 83 O 0.78023568672956 0.06451939831866 0.78416771330118 15.999 > 14 84 O 0.78023568672956 0.56451939831866 0.78416771330118 15.999 > 14 85 O 0.21976431327044 0.06451939831866 0.11750104663452 15.999 > 15 86 O 0.21976431327044 0.56451939831866 0.11750104663452 15.999 > 15 87 O 0.21976431327044 0.06451939831866 0.45083437996785 15.999 > 15 88 O 0.21976431327044 0.56451939831866 0.45083437996785 15.999 > 15 89 O 0.21976431327044 0.06451939831866 0.78416771330118 15.999 > 15 90 O 0.21976431327044 0.56451939831866 0.78416771330118 15.999 > 15 91 O 0.28023568672956 0.43548060168134 0.28416771330118 15.999 > 16 92 O 0.28023568672956 0.93548060168134 0.28416771330118 15.999 > 16 93 O 0.28023568672956 0.43548060168134 0.61750104663452 15.999 > 16 94 O 0.28023568672956 0.93548060168134 0.61750104663452 15.999 > 16 95 O 0.28023568672956 0.43548060168134 0.95083437996785 15.999 > 16 96 O 0.28023568672956 0.93548060168134 0.95083437996785 15.999 > 16 97 O 0.64390830539503 0.17992780460269 0.31678826554410 15.999 > 17 98 O 0.64390830539503 0.67992780460269 0.31678826554410 15.999 > 17 99 O 0.64390830539503 0.17992780460269 0.65012159887743 15.999 > 17 100 O 0.64390830539503 0.67992780460269 0.65012159887743 15.999 > 17 101 O 0.64390830539503 0.17992780460269 0.98345493221076 15.999 > 17 102 O 0.64390830539503 0.67992780460269 0.98345493221076 15.999 > 17 103 O 0.85609169460497 0.32007219539731 0.15012159887743 15.999 > 18 104 O 0.85609169460497 0.82007219539731 0.15012159887743 15.999 > 18 105 O 0.85609169460497 0.32007219539731 0.48345493221076 15.999 > 18 106 O 0.85609169460497 0.82007219539731 0.48345493221076 15.999 > 18 107 O 0.85609169460497 0.32007219539731 0.81678826554410 15.999 > 18 108 O 0.85609169460497 0.82007219539731 0.81678826554410 15.999 > 18 *109 O 0.50000000000000 0.38295601939555 0.30489566741526 15.999 > 19 110 O 0.50000000000000 0.88295601939555 0.30489566741526 15.999 > 19 111 O 0.50000000000000 0.38295601939555 0.63822900074859 15.999 > 19 112 O 0.50000000000000 0.88295601939555 0.63822900074859 15.999 > 19 113 O 0.50000000000000 0.38295601939555 0.97156233408193 15.999 > 19 114 O 0.50000000000000 0.88295601939555 0.97156233408193 15.999 > 19 115 O 0.00000000000000 0.11704398060445 0.13822900074859 15.999 > 20 116 O 0.00000000000000 0.61704398060445 0.13822900074859 15.999 > 20 117 O 0.00000000000000 0.11704398060445 0.47156233408193 15.999 > 20 118 O 0.00000000000000 0.61704398060445 0.47156233408193 15.999 > 20 119 O 0.00000000000000 0.11704398060445 0.80489566741526 15.999 > 20 120 O 0.00000000000000 0.61704398060445 0.80489566741526 15.999 > 20 121 O 0.63607742182162 0.36547271409484 0.11903781296237 15.999 > 21 122 O 0.63607742182162 0.86547271409485 0.11903781296237 15.999 > 21 123 O 0.63607742182162 0.36547271409484 0.45237114629570 15.999 > 21 124 O 0.63607742182162 0.86547271409485 0.45237114629570 15.999 > 21 125 O 0.63607742182162 0.36547271409484 0.78570447962903 15.999 > 21 126 O 0.63607742182162 0.86547271409485 0.78570447962903 15.999 > 21 127 O 0.35609169460497 0.17992780460269 0.31678826554410 15.999 > 22 128 O 0.35609169460497 0.67992780460269 0.31678826554410 15.999 > 22 129 O 0.35609169460497 0.17992780460269 0.65012159887743 15.999 > 22 130 O 0.35609169460497 0.67992780460269 0.65012159887743 15.999 > 22 131 O 0.35609169460497 0.17992780460269 0.98345493221076 15.999 > 22 132 O 0.35609169460497 0.67992780460269 0.98345493221076 15.999 > 22 *133 Pb 0.50000000000000 0.09835545509142 0.17614670007527 207.200 > 23 134 Pb 0.50000000000000 0.59835545509142 0.17614670007527 207.200 > 23 135 Pb 0.50000000000000 0.09835545509142 0.50948003340860 207.200 > 23 136 Pb 0.50000000000000 0.59835545509142 0.50948003340860 207.200 > 23 137 Pb 0.50000000000000 0.09835545509142 0.84281336674193 207.200 > 23 138 Pb 0.50000000000000 0.59835545509142 0.84281336674193 207.200 > 23 139 Pb 0.00000000000000 0.40164454490858 0.00948003340860 207.200 > 24 140 Pb 0.00000000000000 0.90164454490858 0.00948003340860 207.200 > 24 141 Pb 0.00000000000000 0.40164454490858 0.34281336674193 207.200 > 24 142 Pb 0.00000000000000 0.90164454490858 0.34281336674193 207.200 > 24 143 Pb 0.00000000000000 0.40164454490858 0.67614670007527 207.200 > 24 144 Pb 0.00000000000000 0.90164454490858 0.67614670007527 207.200 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9328685 0.0000000 0.0000000 0.0000000 3.9709585 0.0000000 0.0000000 0.0000000 3.9415136 -------------------------- Born effective charges -------------------------- 1 B 3.0305083 0.2337839 0.0025427 0.2190714 2.2368026 -0.0820333 -0.0811038 -0.0943248 2.4324390 2 B 3.0305083 0.2337839 -0.0025427 0.2190714 2.2368026 0.0820333 0.0811038 0.0943248 2.4324390 3 B 2.4744130 -0.1498982 -0.0042553 0.1052283 2.7218990 0.1390834 -0.1075326 0.0644757 2.5725769 4 B 2.4744130 -0.1498982 0.0042553 0.1052283 2.7218990 -0.1390834 0.1075326 -0.0644757 2.5725769 5 B 2.4744130 0.1498982 -0.0042553 -0.1052283 2.7218990 -0.1390834 -0.1075326 -0.0644757 2.5725769 6 B 2.4744130 0.1498982 0.0042553 -0.1052283 2.7218990 0.1390834 0.1075326 0.0644757 2.5725769 7 B 3.0305083 -0.2337839 0.0025427 -0.2190714 2.2368026 0.0820333 -0.0811038 0.0943248 2.4324390 8 B 3.0305083 -0.2337839 -0.0025427 -0.2190714 2.2368026 -0.0820333 0.0811038 -0.0943248 2.4324390 9 O -2.1696226 -0.3880194 -0.3072943 -0.4805473 -2.3271494 0.2535965 -0.3168015 0.1967458 -1.7414389 10 O -2.0491525 0.0974737 0.3488095 0.0957186 -1.7797386 -0.4067016 0.2418083 -0.3631047 -2.1357376 11 O -2.0491525 0.0974737 -0.3488095 0.0957186 -1.7797386 0.4067016 -0.2418083 0.3631047 -2.1357376 12 O -2.0491525 -0.0974737 0.3488095 -0.0957186 -1.7797386 0.4067016 0.2418083 0.3631047 -2.1357376 13 O -1.6808167 -0.3744380 0.3463786 -0.3805469 -1.8279044 -0.1627829 0.2913137 -0.1180723 -2.0775810 14 O -1.6808167 -0.3744380 -0.3463786 -0.3805469 -1.8279044 0.1627829 -0.2913137 0.1180723 -2.0775810 15 O -1.6808167 0.3744380 0.3463786 0.3805469 -1.8279044 0.1627829 0.2913137 0.1180723 -2.0775810 16 O -1.6808167 0.3744380 -0.3463786 0.3805469 -1.8279044 -0.1627829 -0.2913137 -0.1180723 -2.0775810 17 O -2.1696226 0.3880194 -0.3072943 0.4805473 -2.3271494 -0.2535965 -0.3168015 -0.1967458 -1.7414389 18 O -2.1696226 0.3880194 0.3072943 0.4805473 -2.3271494 0.2535965 0.3168015 0.1967458 -1.7414389 19 O -2.4373939 0.0000000 0.0000000 0.0000000 -1.7861998 0.3344022 0.0000000 0.3204716 -1.6314892 20 O -2.4373939 0.0000000 0.0000000 0.0000000 -1.7861998 -0.3344022 0.0000000 -0.3204716 -1.6314892 21 O -2.0491525 -0.0974737 -0.3488095 -0.0957186 -1.7797386 -0.4067016 -0.2418083 -0.3631047 -2.1357376 22 O -2.1696226 -0.3880194 0.3072943 -0.4805473 -2.3271494 -0.2535965 0.3168015 -0.1967458 -1.7414389 23 Pb 3.2267350 0.0000000 0.0000000 0.0000000 3.7383814 0.1473461 0.0000000 0.1779788 3.5309727 24 Pb 3.2267350 0.0000000 0.0000000 0.0000000 3.7383814 -0.1473461 0.0000000 -0.1779788 3.5309727 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3972 Number of blocks in projector: 3972 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: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 376 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 332 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 330 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 468 Use standard eigh solver. Tree of FC basis block matrices: - (3972, 3917), data: False |-- (468, 461), data: True |-- (468, 461), data: True |-- (468, 461), data: True |-- (840, 830), data: False |-- (840, 10), data: (840, 20) @ (20, 10) |-- (340, 330), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 8), data: (840, 18) @ (18, 8) |-- (340, 332), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 12), data: (888, 26) @ (26, 12) |-- (388, 376), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 3.127 Solver_block: 200 / 720 - Time: 1.340 Solver_block: 300 / 720 - Time: 3.131 Solver_block: 400 / 720 - Time: 1.164 Solver_block: 500 / 720 - Time: 2.677 Solver_block: 600 / 720 - Time: 1.239 Solver_block: 700 / 720 - Time: 1.598 Solver_block: 720 / 720 - Time: 1.088 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.130 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3972 Number of blocks in projector: 3972 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: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 376 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 332 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 330 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 468 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 468 Use standard eigh solver. Tree of FC basis block matrices: - (3972, 3917), data: False |-- (468, 461), data: True |-- (468, 461), data: True |-- (468, 461), data: True |-- (840, 830), data: False |-- (840, 10), data: (840, 20) @ (20, 10) |-- (340, 330), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 8), data: (840, 18) @ (18, 8) |-- (340, 332), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 12), data: (888, 26) @ (26, 12) |-- (388, 376), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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 2026-01-07 23:30:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:30:40]------------------------- 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): [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.858657320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.455428950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.244262180000000 Atomic positions (fractional): 1 B 0.24857285988039 0.17591430660189 0.99822637777625 10.811 2 B 0.25142714011961 0.82408569339811 0.49822637777626 10.811 3 B 0.37811247207816 0.67464871398136 0.02312870556501 10.811 4 B 0.12188752792184 0.32535128601864 0.52312870556501 10.811 5 B 0.87811247207816 0.32535128601864 0.52312870556501 10.811 6 B 0.62188752792184 0.67464871398136 0.02312870556501 10.811 7 B 0.74857285988039 0.82408569339811 0.49822637777626 10.811 8 B 0.75142714011961 0.17591430660189 0.99822637777625 10.811 9 O 0.14390830539503 0.64014439079461 0.45036479663229 15.999 10 O 0.36392257817838 0.73094542818969 0.35711343888710 15.999 11 O 0.13607742182162 0.26905457181031 0.85711343888710 15.999 12 O 0.86392257817838 0.26905457181031 0.85711343888710 15.999 13 O 0.71976431327044 0.87096120336268 0.85250313990355 15.999 14 O 0.78023568672956 0.12903879663732 0.35250313990355 15.999 15 O 0.21976431327044 0.12903879663732 0.35250313990355 15.999 16 O 0.28023568672956 0.87096120336268 0.85250313990355 15.999 17 O 0.64390830539503 0.35985560920539 0.95036479663229 15.999 18 O 0.85609169460497 0.64014439079461 0.45036479663229 15.999 19 O 0.50000000000000 0.76591203879111 0.91468700224578 15.999 20 O 0.00000000000000 0.23408796120889 0.41468700224578 15.999 21 O 0.63607742182162 0.73094542818969 0.35711343888710 15.999 22 O 0.35609169460497 0.35985560920539 0.95036479663229 15.999 23 Pb 0.50000000000000 0.19671091018284 0.52844010022580 207.200 24 Pb 0.00000000000000 0.80328908981716 0.02844010022580 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.858657320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.910857900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.732786539999999 Atomic positions (fractional): 1 B 0.24857285988039 0.08795715330095 0.33274212592542 10.811 > 1 2 B 0.24857285988039 0.58795715330095 0.33274212592542 10.811 > 1 3 B 0.24857285988039 0.08795715330095 0.66607545925875 10.811 > 1 4 B 0.24857285988039 0.58795715330095 0.66607545925875 10.811 > 1 5 B 0.24857285988039 0.08795715330095 0.99940879259208 10.811 > 1 6 B 0.24857285988039 0.58795715330095 0.99940879259208 10.811 > 1 7 B 0.25142714011961 0.41204284669905 0.16607545925875 10.811 > 7 8 B 0.25142714011961 0.91204284669905 0.16607545925875 10.811 > 7 9 B 0.25142714011961 0.41204284669905 0.49940879259208 10.811 > 7 10 B 0.25142714011961 0.91204284669905 0.49940879259208 10.811 > 7 11 B 0.25142714011961 0.41204284669905 0.83274212592542 10.811 > 7 12 B 0.25142714011961 0.91204284669905 0.83274212592542 10.811 > 7 13 B 0.37811247207816 0.33732435699068 0.00770956852167 10.811 > 13 14 B 0.37811247207816 0.83732435699068 0.00770956852167 10.811 > 13 15 B 0.37811247207816 0.33732435699068 0.34104290185500 10.811 > 13 16 B 0.37811247207816 0.83732435699068 0.34104290185500 10.811 > 13 17 B 0.37811247207816 0.33732435699068 0.67437623518834 10.811 > 13 18 B 0.37811247207816 0.83732435699068 0.67437623518834 10.811 > 13 19 B 0.12188752792184 0.16267564300932 0.17437623518834 10.811 > 19 20 B 0.12188752792184 0.66267564300932 0.17437623518834 10.811 > 19 21 B 0.12188752792184 0.16267564300932 0.50770956852167 10.811 > 19 22 B 0.12188752792184 0.66267564300932 0.50770956852167 10.811 > 19 23 B 0.12188752792184 0.16267564300932 0.84104290185500 10.811 > 19 24 B 0.12188752792184 0.66267564300932 0.84104290185500 10.811 > 19 25 B 0.87811247207816 0.16267564300932 0.17437623518834 10.811 > 25 26 B 0.87811247207816 0.66267564300932 0.17437623518834 10.811 > 25 27 B 0.87811247207816 0.16267564300932 0.50770956852167 10.811 > 25 28 B 0.87811247207816 0.66267564300932 0.50770956852167 10.811 > 25 29 B 0.87811247207816 0.16267564300932 0.84104290185500 10.811 > 25 30 B 0.87811247207816 0.66267564300932 0.84104290185500 10.811 > 25 31 B 0.62188752792184 0.33732435699068 0.00770956852167 10.811 > 31 32 B 0.62188752792184 0.83732435699068 0.00770956852167 10.811 > 31 33 B 0.62188752792184 0.33732435699068 0.34104290185500 10.811 > 31 34 B 0.62188752792184 0.83732435699068 0.34104290185500 10.811 > 31 35 B 0.62188752792184 0.33732435699068 0.67437623518834 10.811 > 31 36 B 0.62188752792184 0.83732435699068 0.67437623518834 10.811 > 31 37 B 0.74857285988039 0.41204284669905 0.16607545925875 10.811 > 37 38 B 0.74857285988039 0.91204284669905 0.16607545925875 10.811 > 37 39 B 0.74857285988039 0.41204284669905 0.49940879259208 10.811 > 37 40 B 0.74857285988039 0.91204284669905 0.49940879259208 10.811 > 37 41 B 0.74857285988039 0.41204284669905 0.83274212592542 10.811 > 37 42 B 0.74857285988039 0.91204284669905 0.83274212592542 10.811 > 37 43 B 0.75142714011961 0.08795715330095 0.33274212592542 10.811 > 43 44 B 0.75142714011961 0.58795715330095 0.33274212592542 10.811 > 43 45 B 0.75142714011961 0.08795715330095 0.66607545925875 10.811 > 43 46 B 0.75142714011961 0.58795715330095 0.66607545925875 10.811 > 43 47 B 0.75142714011961 0.08795715330095 0.99940879259208 10.811 > 43 48 B 0.75142714011961 0.58795715330095 0.99940879259208 10.811 > 43 49 O 0.14390830539503 0.32007219539731 0.15012159887743 15.999 > 49 50 O 0.14390830539503 0.82007219539731 0.15012159887743 15.999 > 49 51 O 0.14390830539503 0.32007219539731 0.48345493221076 15.999 > 49 52 O 0.14390830539503 0.82007219539731 0.48345493221076 15.999 > 49 53 O 0.14390830539503 0.32007219539731 0.81678826554410 15.999 > 49 54 O 0.14390830539503 0.82007219539731 0.81678826554410 15.999 > 49 55 O 0.36392257817838 0.36547271409484 0.11903781296237 15.999 > 55 56 O 0.36392257817838 0.86547271409485 0.11903781296237 15.999 > 55 57 O 0.36392257817838 0.36547271409484 0.45237114629570 15.999 > 55 58 O 0.36392257817838 0.86547271409485 0.45237114629570 15.999 > 55 59 O 0.36392257817838 0.36547271409484 0.78570447962903 15.999 > 55 60 O 0.36392257817838 0.86547271409485 0.78570447962903 15.999 > 55 61 O 0.13607742182162 0.13452728590516 0.28570447962903 15.999 > 61 62 O 0.13607742182162 0.63452728590515 0.28570447962903 15.999 > 61 63 O 0.13607742182162 0.13452728590516 0.61903781296237 15.999 > 61 64 O 0.13607742182162 0.63452728590515 0.61903781296237 15.999 > 61 65 O 0.13607742182162 0.13452728590516 0.95237114629570 15.999 > 61 66 O 0.13607742182162 0.63452728590515 0.95237114629570 15.999 > 61 67 O 0.86392257817838 0.13452728590516 0.28570447962903 15.999 > 67 68 O 0.86392257817838 0.63452728590515 0.28570447962903 15.999 > 67 69 O 0.86392257817838 0.13452728590516 0.61903781296237 15.999 > 67 70 O 0.86392257817838 0.63452728590515 0.61903781296237 15.999 > 67 71 O 0.86392257817838 0.13452728590516 0.95237114629570 15.999 > 67 72 O 0.86392257817838 0.63452728590515 0.95237114629570 15.999 > 67 73 O 0.71976431327044 0.43548060168134 0.28416771330118 15.999 > 73 74 O 0.71976431327044 0.93548060168134 0.28416771330118 15.999 > 73 75 O 0.71976431327044 0.43548060168134 0.61750104663452 15.999 > 73 76 O 0.71976431327044 0.93548060168134 0.61750104663452 15.999 > 73 77 O 0.71976431327044 0.43548060168134 0.95083437996785 15.999 > 73 78 O 0.71976431327044 0.93548060168134 0.95083437996785 15.999 > 73 79 O 0.78023568672956 0.06451939831866 0.11750104663452 15.999 > 79 80 O 0.78023568672956 0.56451939831866 0.11750104663452 15.999 > 79 81 O 0.78023568672956 0.06451939831866 0.45083437996785 15.999 > 79 82 O 0.78023568672956 0.56451939831866 0.45083437996785 15.999 > 79 83 O 0.78023568672956 0.06451939831866 0.78416771330118 15.999 > 79 84 O 0.78023568672956 0.56451939831866 0.78416771330118 15.999 > 79 85 O 0.21976431327044 0.06451939831866 0.11750104663452 15.999 > 85 86 O 0.21976431327044 0.56451939831866 0.11750104663452 15.999 > 85 87 O 0.21976431327044 0.06451939831866 0.45083437996785 15.999 > 85 88 O 0.21976431327044 0.56451939831866 0.45083437996785 15.999 > 85 89 O 0.21976431327044 0.06451939831866 0.78416771330118 15.999 > 85 90 O 0.21976431327044 0.56451939831866 0.78416771330118 15.999 > 85 91 O 0.28023568672956 0.43548060168134 0.28416771330118 15.999 > 91 92 O 0.28023568672956 0.93548060168134 0.28416771330118 15.999 > 91 93 O 0.28023568672956 0.43548060168134 0.61750104663452 15.999 > 91 94 O 0.28023568672956 0.93548060168134 0.61750104663452 15.999 > 91 95 O 0.28023568672956 0.43548060168134 0.95083437996785 15.999 > 91 96 O 0.28023568672956 0.93548060168134 0.95083437996785 15.999 > 91 97 O 0.64390830539503 0.17992780460269 0.31678826554410 15.999 > 97 98 O 0.64390830539503 0.67992780460269 0.31678826554410 15.999 > 97 99 O 0.64390830539503 0.17992780460269 0.65012159887743 15.999 > 97 100 O 0.64390830539503 0.67992780460269 0.65012159887743 15.999 > 97 101 O 0.64390830539503 0.17992780460269 0.98345493221076 15.999 > 97 102 O 0.64390830539503 0.67992780460269 0.98345493221076 15.999 > 97 103 O 0.85609169460497 0.32007219539731 0.15012159887743 15.999 > 103 104 O 0.85609169460497 0.82007219539731 0.15012159887743 15.999 > 103 105 O 0.85609169460497 0.32007219539731 0.48345493221076 15.999 > 103 106 O 0.85609169460497 0.82007219539731 0.48345493221076 15.999 > 103 107 O 0.85609169460497 0.32007219539731 0.81678826554410 15.999 > 103 108 O 0.85609169460497 0.82007219539731 0.81678826554410 15.999 > 103 109 O 0.50000000000000 0.38295601939555 0.30489566741526 15.999 > 109 110 O 0.50000000000000 0.88295601939555 0.30489566741526 15.999 > 109 111 O 0.50000000000000 0.38295601939555 0.63822900074859 15.999 > 109 112 O 0.50000000000000 0.88295601939555 0.63822900074859 15.999 > 109 113 O 0.50000000000000 0.38295601939555 0.97156233408193 15.999 > 109 114 O 0.50000000000000 0.88295601939555 0.97156233408193 15.999 > 109 115 O 0.00000000000000 0.11704398060445 0.13822900074859 15.999 > 115 116 O 0.00000000000000 0.61704398060445 0.13822900074859 15.999 > 115 117 O 0.00000000000000 0.11704398060445 0.47156233408193 15.999 > 115 118 O 0.00000000000000 0.61704398060445 0.47156233408193 15.999 > 115 119 O 0.00000000000000 0.11704398060445 0.80489566741526 15.999 > 115 120 O 0.00000000000000 0.61704398060445 0.80489566741526 15.999 > 115 121 O 0.63607742182162 0.36547271409484 0.11903781296237 15.999 > 121 122 O 0.63607742182162 0.86547271409485 0.11903781296237 15.999 > 121 123 O 0.63607742182162 0.36547271409484 0.45237114629570 15.999 > 121 124 O 0.63607742182162 0.86547271409485 0.45237114629570 15.999 > 121 125 O 0.63607742182162 0.36547271409484 0.78570447962903 15.999 > 121 126 O 0.63607742182162 0.86547271409485 0.78570447962903 15.999 > 121 127 O 0.35609169460497 0.17992780460269 0.31678826554410 15.999 > 127 128 O 0.35609169460497 0.67992780460269 0.31678826554410 15.999 > 127 129 O 0.35609169460497 0.17992780460269 0.65012159887743 15.999 > 127 130 O 0.35609169460497 0.67992780460269 0.65012159887743 15.999 > 127 131 O 0.35609169460497 0.17992780460269 0.98345493221076 15.999 > 127 132 O 0.35609169460497 0.67992780460269 0.98345493221076 15.999 > 127 133 Pb 0.50000000000000 0.09835545509142 0.17614670007527 207.200 > 133 134 Pb 0.50000000000000 0.59835545509142 0.17614670007527 207.200 > 133 135 Pb 0.50000000000000 0.09835545509142 0.50948003340860 207.200 > 133 136 Pb 0.50000000000000 0.59835545509142 0.50948003340860 207.200 > 133 137 Pb 0.50000000000000 0.09835545509142 0.84281336674193 207.200 > 133 138 Pb 0.50000000000000 0.59835545509142 0.84281336674193 207.200 > 133 139 Pb 0.00000000000000 0.40164454490858 0.00948003340860 207.200 > 139 140 Pb 0.00000000000000 0.90164454490858 0.00948003340860 207.200 > 139 141 Pb 0.00000000000000 0.40164454490858 0.34281336674193 207.200 > 139 142 Pb 0.00000000000000 0.90164454490858 0.34281336674193 207.200 > 139 143 Pb 0.00000000000000 0.40164454490858 0.67614670007527 207.200 > 139 144 Pb 0.00000000000000 0.90164454490858 0.67614670007527 207.200 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9328685 0.0000000 0.0000000 0.0000000 3.9709585 0.0000000 0.0000000 0.0000000 3.9415136 -------------------------- Born effective charges -------------------------- 1 B 3.0305083 0.2337839 0.0025427 0.2190714 2.2368026 -0.0820333 -0.0811038 -0.0943248 2.4324390 2 B 3.0305083 0.2337839 -0.0025427 0.2190714 2.2368026 0.0820333 0.0811038 0.0943248 2.4324390 3 B 2.4744130 -0.1498982 -0.0042553 0.1052283 2.7218990 0.1390834 -0.1075326 0.0644757 2.5725769 4 B 2.4744130 -0.1498982 0.0042553 0.1052283 2.7218990 -0.1390834 0.1075326 -0.0644757 2.5725769 5 B 2.4744130 0.1498982 -0.0042553 -0.1052283 2.7218990 -0.1390834 -0.1075326 -0.0644757 2.5725769 6 B 2.4744130 0.1498982 0.0042553 -0.1052283 2.7218990 0.1390834 0.1075326 0.0644757 2.5725769 7 B 3.0305083 -0.2337839 0.0025427 -0.2190714 2.2368026 0.0820333 -0.0811038 0.0943248 2.4324390 8 B 3.0305083 -0.2337839 -0.0025427 -0.2190714 2.2368026 -0.0820333 0.0811038 -0.0943248 2.4324390 9 O -2.1696226 -0.3880194 -0.3072943 -0.4805473 -2.3271494 0.2535965 -0.3168015 0.1967458 -1.7414389 10 O -2.0491525 0.0974737 0.3488095 0.0957186 -1.7797386 -0.4067016 0.2418083 -0.3631047 -2.1357376 11 O -2.0491525 0.0974737 -0.3488095 0.0957186 -1.7797386 0.4067016 -0.2418083 0.3631047 -2.1357376 12 O -2.0491525 -0.0974737 0.3488095 -0.0957186 -1.7797386 0.4067016 0.2418083 0.3631047 -2.1357376 13 O -1.6808167 -0.3744380 0.3463786 -0.3805469 -1.8279044 -0.1627829 0.2913137 -0.1180723 -2.0775810 14 O -1.6808167 -0.3744380 -0.3463786 -0.3805469 -1.8279044 0.1627829 -0.2913137 0.1180723 -2.0775810 15 O -1.6808167 0.3744380 0.3463786 0.3805469 -1.8279044 0.1627829 0.2913137 0.1180723 -2.0775810 16 O -1.6808167 0.3744380 -0.3463786 0.3805469 -1.8279044 -0.1627829 -0.2913137 -0.1180723 -2.0775810 17 O -2.1696226 0.3880194 -0.3072943 0.4805473 -2.3271494 -0.2535965 -0.3168015 -0.1967458 -1.7414389 18 O -2.1696226 0.3880194 0.3072943 0.4805473 -2.3271494 0.2535965 0.3168015 0.1967458 -1.7414389 19 O -2.4373939 0.0000000 0.0000000 0.0000000 -1.7861998 0.3344022 0.0000000 0.3204716 -1.6314892 20 O -2.4373939 0.0000000 0.0000000 0.0000000 -1.7861998 -0.3344022 0.0000000 -0.3204716 -1.6314892 21 O -2.0491525 -0.0974737 -0.3488095 -0.0957186 -1.7797386 -0.4067016 -0.2418083 -0.3631047 -2.1357376 22 O -2.1696226 -0.3880194 0.3072943 -0.4805473 -2.3271494 -0.2535965 0.3168015 -0.1967458 -1.7414389 23 Pb 3.2267350 0.0000000 0.0000000 0.0000000 3.7383814 0.1473461 0.0000000 0.1779788 3.5309727 24 Pb 3.2267350 0.0000000 0.0000000 0.0000000 3.7383814 -0.1473461 0.0000000 -0.1779788 3.5309727 ---------------------------------------------------------------------------- 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[ 13, 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[ 55, 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[ 73, 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[ 109, 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[ 133, 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: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 2026-01-07 23:31:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:31:25]------------------------- 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): [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.858657320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.455428950000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.244262180000000 Atomic positions (fractional): 1 B 0.24857285988039 0.17591430660189 0.99822637777625 10.811 2 B 0.25142714011961 0.82408569339811 0.49822637777626 10.811 3 B 0.37811247207816 0.67464871398136 0.02312870556501 10.811 4 B 0.12188752792184 0.32535128601864 0.52312870556501 10.811 5 B 0.87811247207816 0.32535128601864 0.52312870556501 10.811 6 B 0.62188752792184 0.67464871398136 0.02312870556501 10.811 7 B 0.74857285988039 0.82408569339811 0.49822637777626 10.811 8 B 0.75142714011961 0.17591430660189 0.99822637777625 10.811 9 O 0.14390830539503 0.64014439079461 0.45036479663229 15.999 10 O 0.36392257817838 0.73094542818969 0.35711343888710 15.999 11 O 0.13607742182162 0.26905457181031 0.85711343888710 15.999 12 O 0.86392257817838 0.26905457181031 0.85711343888710 15.999 13 O 0.71976431327044 0.87096120336268 0.85250313990355 15.999 14 O 0.78023568672956 0.12903879663732 0.35250313990355 15.999 15 O 0.21976431327044 0.12903879663732 0.35250313990355 15.999 16 O 0.28023568672956 0.87096120336268 0.85250313990355 15.999 17 O 0.64390830539503 0.35985560920539 0.95036479663229 15.999 18 O 0.85609169460497 0.64014439079461 0.45036479663229 15.999 19 O 0.50000000000000 0.76591203879111 0.91468700224578 15.999 20 O 0.00000000000000 0.23408796120889 0.41468700224578 15.999 21 O 0.63607742182162 0.73094542818969 0.35711343888710 15.999 22 O 0.35609169460497 0.35985560920539 0.95036479663229 15.999 23 Pb 0.50000000000000 0.19671091018284 0.52844010022580 207.200 24 Pb 0.00000000000000 0.80328908981716 0.02844010022580 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.858657320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.910857900000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.732786539999999 Atomic positions (fractional): 1 B 0.24857285988039 0.08795715330095 0.33274212592542 10.811 > 1 2 B 0.24857285988039 0.58795715330095 0.33274212592542 10.811 > 1 3 B 0.24857285988039 0.08795715330095 0.66607545925875 10.811 > 1 4 B 0.24857285988039 0.58795715330095 0.66607545925875 10.811 > 1 5 B 0.24857285988039 0.08795715330095 0.99940879259208 10.811 > 1 6 B 0.24857285988039 0.58795715330095 0.99940879259208 10.811 > 1 7 B 0.25142714011961 0.41204284669905 0.16607545925875 10.811 > 7 8 B 0.25142714011961 0.91204284669905 0.16607545925875 10.811 > 7 9 B 0.25142714011961 0.41204284669905 0.49940879259208 10.811 > 7 10 B 0.25142714011961 0.91204284669905 0.49940879259208 10.811 > 7 11 B 0.25142714011961 0.41204284669905 0.83274212592542 10.811 > 7 12 B 0.25142714011961 0.91204284669905 0.83274212592542 10.811 > 7 13 B 0.37811247207816 0.33732435699068 0.00770956852167 10.811 > 13 14 B 0.37811247207816 0.83732435699068 0.00770956852167 10.811 > 13 15 B 0.37811247207816 0.33732435699068 0.34104290185500 10.811 > 13 16 B 0.37811247207816 0.83732435699068 0.34104290185500 10.811 > 13 17 B 0.37811247207816 0.33732435699068 0.67437623518834 10.811 > 13 18 B 0.37811247207816 0.83732435699068 0.67437623518834 10.811 > 13 19 B 0.12188752792184 0.16267564300932 0.17437623518834 10.811 > 19 20 B 0.12188752792184 0.66267564300932 0.17437623518834 10.811 > 19 21 B 0.12188752792184 0.16267564300932 0.50770956852167 10.811 > 19 22 B 0.12188752792184 0.66267564300932 0.50770956852167 10.811 > 19 23 B 0.12188752792184 0.16267564300932 0.84104290185500 10.811 > 19 24 B 0.12188752792184 0.66267564300932 0.84104290185500 10.811 > 19 25 B 0.87811247207816 0.16267564300932 0.17437623518834 10.811 > 25 26 B 0.87811247207816 0.66267564300932 0.17437623518834 10.811 > 25 27 B 0.87811247207816 0.16267564300932 0.50770956852167 10.811 > 25 28 B 0.87811247207816 0.66267564300932 0.50770956852167 10.811 > 25 29 B 0.87811247207816 0.16267564300932 0.84104290185500 10.811 > 25 30 B 0.87811247207816 0.66267564300932 0.84104290185500 10.811 > 25 31 B 0.62188752792184 0.33732435699068 0.00770956852167 10.811 > 31 32 B 0.62188752792184 0.83732435699068 0.00770956852167 10.811 > 31 33 B 0.62188752792184 0.33732435699068 0.34104290185500 10.811 > 31 34 B 0.62188752792184 0.83732435699068 0.34104290185500 10.811 > 31 35 B 0.62188752792184 0.33732435699068 0.67437623518834 10.811 > 31 36 B 0.62188752792184 0.83732435699068 0.67437623518834 10.811 > 31 37 B 0.74857285988039 0.41204284669905 0.16607545925875 10.811 > 37 38 B 0.74857285988039 0.91204284669905 0.16607545925875 10.811 > 37 39 B 0.74857285988039 0.41204284669905 0.49940879259208 10.811 > 37 40 B 0.74857285988039 0.91204284669905 0.49940879259208 10.811 > 37 41 B 0.74857285988039 0.41204284669905 0.83274212592542 10.811 > 37 42 B 0.74857285988039 0.91204284669905 0.83274212592542 10.811 > 37 43 B 0.75142714011961 0.08795715330095 0.33274212592542 10.811 > 43 44 B 0.75142714011961 0.58795715330095 0.33274212592542 10.811 > 43 45 B 0.75142714011961 0.08795715330095 0.66607545925875 10.811 > 43 46 B 0.75142714011961 0.58795715330095 0.66607545925875 10.811 > 43 47 B 0.75142714011961 0.08795715330095 0.99940879259208 10.811 > 43 48 B 0.75142714011961 0.58795715330095 0.99940879259208 10.811 > 43 49 O 0.14390830539503 0.32007219539731 0.15012159887743 15.999 > 49 50 O 0.14390830539503 0.82007219539731 0.15012159887743 15.999 > 49 51 O 0.14390830539503 0.32007219539731 0.48345493221076 15.999 > 49 52 O 0.14390830539503 0.82007219539731 0.48345493221076 15.999 > 49 53 O 0.14390830539503 0.32007219539731 0.81678826554410 15.999 > 49 54 O 0.14390830539503 0.82007219539731 0.81678826554410 15.999 > 49 55 O 0.36392257817838 0.36547271409484 0.11903781296237 15.999 > 55 56 O 0.36392257817838 0.86547271409485 0.11903781296237 15.999 > 55 57 O 0.36392257817838 0.36547271409484 0.45237114629570 15.999 > 55 58 O 0.36392257817838 0.86547271409485 0.45237114629570 15.999 > 55 59 O 0.36392257817838 0.36547271409484 0.78570447962903 15.999 > 55 60 O 0.36392257817838 0.86547271409485 0.78570447962903 15.999 > 55 61 O 0.13607742182162 0.13452728590516 0.28570447962903 15.999 > 61 62 O 0.13607742182162 0.63452728590515 0.28570447962903 15.999 > 61 63 O 0.13607742182162 0.13452728590516 0.61903781296237 15.999 > 61 64 O 0.13607742182162 0.63452728590515 0.61903781296237 15.999 > 61 65 O 0.13607742182162 0.13452728590516 0.95237114629570 15.999 > 61 66 O 0.13607742182162 0.63452728590515 0.95237114629570 15.999 > 61 67 O 0.86392257817838 0.13452728590516 0.28570447962903 15.999 > 67 68 O 0.86392257817838 0.63452728590515 0.28570447962903 15.999 > 67 69 O 0.86392257817838 0.13452728590516 0.61903781296237 15.999 > 67 70 O 0.86392257817838 0.63452728590515 0.61903781296237 15.999 > 67 71 O 0.86392257817838 0.13452728590516 0.95237114629570 15.999 > 67 72 O 0.86392257817838 0.63452728590515 0.95237114629570 15.999 > 67 73 O 0.71976431327044 0.43548060168134 0.28416771330118 15.999 > 73 74 O 0.71976431327044 0.93548060168134 0.28416771330118 15.999 > 73 75 O 0.71976431327044 0.43548060168134 0.61750104663452 15.999 > 73 76 O 0.71976431327044 0.93548060168134 0.61750104663452 15.999 > 73 77 O 0.71976431327044 0.43548060168134 0.95083437996785 15.999 > 73 78 O 0.71976431327044 0.93548060168134 0.95083437996785 15.999 > 73 79 O 0.78023568672956 0.06451939831866 0.11750104663452 15.999 > 79 80 O 0.78023568672956 0.56451939831866 0.11750104663452 15.999 > 79 81 O 0.78023568672956 0.06451939831866 0.45083437996785 15.999 > 79 82 O 0.78023568672956 0.56451939831866 0.45083437996785 15.999 > 79 83 O 0.78023568672956 0.06451939831866 0.78416771330118 15.999 > 79 84 O 0.78023568672956 0.56451939831866 0.78416771330118 15.999 > 79 85 O 0.21976431327044 0.06451939831866 0.11750104663452 15.999 > 85 86 O 0.21976431327044 0.56451939831866 0.11750104663452 15.999 > 85 87 O 0.21976431327044 0.06451939831866 0.45083437996785 15.999 > 85 88 O 0.21976431327044 0.56451939831866 0.45083437996785 15.999 > 85 89 O 0.21976431327044 0.06451939831866 0.78416771330118 15.999 > 85 90 O 0.21976431327044 0.56451939831866 0.78416771330118 15.999 > 85 91 O 0.28023568672956 0.43548060168134 0.28416771330118 15.999 > 91 92 O 0.28023568672956 0.93548060168134 0.28416771330118 15.999 > 91 93 O 0.28023568672956 0.43548060168134 0.61750104663452 15.999 > 91 94 O 0.28023568672956 0.93548060168134 0.61750104663452 15.999 > 91 95 O 0.28023568672956 0.43548060168134 0.95083437996785 15.999 > 91 96 O 0.28023568672956 0.93548060168134 0.95083437996785 15.999 > 91 97 O 0.64390830539503 0.17992780460269 0.31678826554410 15.999 > 97 98 O 0.64390830539503 0.67992780460269 0.31678826554410 15.999 > 97 99 O 0.64390830539503 0.17992780460269 0.65012159887743 15.999 > 97 100 O 0.64390830539503 0.67992780460269 0.65012159887743 15.999 > 97 101 O 0.64390830539503 0.17992780460269 0.98345493221076 15.999 > 97 102 O 0.64390830539503 0.67992780460269 0.98345493221076 15.999 > 97 103 O 0.85609169460497 0.32007219539731 0.15012159887743 15.999 > 103 104 O 0.85609169460497 0.82007219539731 0.15012159887743 15.999 > 103 105 O 0.85609169460497 0.32007219539731 0.48345493221076 15.999 > 103 106 O 0.85609169460497 0.82007219539731 0.48345493221076 15.999 > 103 107 O 0.85609169460497 0.32007219539731 0.81678826554410 15.999 > 103 108 O 0.85609169460497 0.82007219539731 0.81678826554410 15.999 > 103 109 O 0.50000000000000 0.38295601939555 0.30489566741526 15.999 > 109 110 O 0.50000000000000 0.88295601939555 0.30489566741526 15.999 > 109 111 O 0.50000000000000 0.38295601939555 0.63822900074859 15.999 > 109 112 O 0.50000000000000 0.88295601939555 0.63822900074859 15.999 > 109 113 O 0.50000000000000 0.38295601939555 0.97156233408193 15.999 > 109 114 O 0.50000000000000 0.88295601939555 0.97156233408193 15.999 > 109 115 O 0.00000000000000 0.11704398060445 0.13822900074859 15.999 > 115 116 O 0.00000000000000 0.61704398060445 0.13822900074859 15.999 > 115 117 O 0.00000000000000 0.11704398060445 0.47156233408193 15.999 > 115 118 O 0.00000000000000 0.61704398060445 0.47156233408193 15.999 > 115 119 O 0.00000000000000 0.11704398060445 0.80489566741526 15.999 > 115 120 O 0.00000000000000 0.61704398060445 0.80489566741526 15.999 > 115 121 O 0.63607742182162 0.36547271409484 0.11903781296237 15.999 > 121 122 O 0.63607742182162 0.86547271409485 0.11903781296237 15.999 > 121 123 O 0.63607742182162 0.36547271409484 0.45237114629570 15.999 > 121 124 O 0.63607742182162 0.86547271409485 0.45237114629570 15.999 > 121 125 O 0.63607742182162 0.36547271409484 0.78570447962903 15.999 > 121 126 O 0.63607742182162 0.86547271409485 0.78570447962903 15.999 > 121 127 O 0.35609169460497 0.17992780460269 0.31678826554410 15.999 > 127 128 O 0.35609169460497 0.67992780460269 0.31678826554410 15.999 > 127 129 O 0.35609169460497 0.17992780460269 0.65012159887743 15.999 > 127 130 O 0.35609169460497 0.67992780460269 0.65012159887743 15.999 > 127 131 O 0.35609169460497 0.17992780460269 0.98345493221076 15.999 > 127 132 O 0.35609169460497 0.67992780460269 0.98345493221076 15.999 > 127 133 Pb 0.50000000000000 0.09835545509142 0.17614670007527 207.200 > 133 134 Pb 0.50000000000000 0.59835545509142 0.17614670007527 207.200 > 133 135 Pb 0.50000000000000 0.09835545509142 0.50948003340860 207.200 > 133 136 Pb 0.50000000000000 0.59835545509142 0.50948003340860 207.200 > 133 137 Pb 0.50000000000000 0.09835545509142 0.84281336674193 207.200 > 133 138 Pb 0.50000000000000 0.59835545509142 0.84281336674193 207.200 > 133 139 Pb 0.00000000000000 0.40164454490858 0.00948003340860 207.200 > 139 140 Pb 0.00000000000000 0.90164454490858 0.00948003340860 207.200 > 139 141 Pb 0.00000000000000 0.40164454490858 0.34281336674193 207.200 > 139 142 Pb 0.00000000000000 0.90164454490858 0.34281336674193 207.200 > 139 143 Pb 0.00000000000000 0.40164454490858 0.67614670007527 207.200 > 139 144 Pb 0.00000000000000 0.90164454490858 0.67614670007527 207.200 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9328685 0.0000000 0.0000000 0.0000000 3.9709585 0.0000000 0.0000000 0.0000000 3.9415136 -------------------------- Born effective charges -------------------------- 1 B 3.0305083 0.2337839 0.0025427 0.2190714 2.2368026 -0.0820333 -0.0811038 -0.0943248 2.4324390 2 B 3.0305083 0.2337839 -0.0025427 0.2190714 2.2368026 0.0820333 0.0811038 0.0943248 2.4324390 3 B 2.4744130 -0.1498982 -0.0042553 0.1052283 2.7218990 0.1390834 -0.1075326 0.0644757 2.5725769 4 B 2.4744130 -0.1498982 0.0042553 0.1052283 2.7218990 -0.1390834 0.1075326 -0.0644757 2.5725769 5 B 2.4744130 0.1498982 -0.0042553 -0.1052283 2.7218990 -0.1390834 -0.1075326 -0.0644757 2.5725769 6 B 2.4744130 0.1498982 0.0042553 -0.1052283 2.7218990 0.1390834 0.1075326 0.0644757 2.5725769 7 B 3.0305083 -0.2337839 0.0025427 -0.2190714 2.2368026 0.0820333 -0.0811038 0.0943248 2.4324390 8 B 3.0305083 -0.2337839 -0.0025427 -0.2190714 2.2368026 -0.0820333 0.0811038 -0.0943248 2.4324390 9 O -2.1696226 -0.3880194 -0.3072943 -0.4805473 -2.3271494 0.2535965 -0.3168015 0.1967458 -1.7414389 10 O -2.0491525 0.0974737 0.3488095 0.0957186 -1.7797386 -0.4067016 0.2418083 -0.3631047 -2.1357376 11 O -2.0491525 0.0974737 -0.3488095 0.0957186 -1.7797386 0.4067016 -0.2418083 0.3631047 -2.1357376 12 O -2.0491525 -0.0974737 0.3488095 -0.0957186 -1.7797386 0.4067016 0.2418083 0.3631047 -2.1357376 13 O -1.6808167 -0.3744380 0.3463786 -0.3805469 -1.8279044 -0.1627829 0.2913137 -0.1180723 -2.0775810 14 O -1.6808167 -0.3744380 -0.3463786 -0.3805469 -1.8279044 0.1627829 -0.2913137 0.1180723 -2.0775810 15 O -1.6808167 0.3744380 0.3463786 0.3805469 -1.8279044 0.1627829 0.2913137 0.1180723 -2.0775810 16 O -1.6808167 0.3744380 -0.3463786 0.3805469 -1.8279044 -0.1627829 -0.2913137 -0.1180723 -2.0775810 17 O -2.1696226 0.3880194 -0.3072943 0.4805473 -2.3271494 -0.2535965 -0.3168015 -0.1967458 -1.7414389 18 O -2.1696226 0.3880194 0.3072943 0.4805473 -2.3271494 0.2535965 0.3168015 0.1967458 -1.7414389 19 O -2.4373939 0.0000000 0.0000000 0.0000000 -1.7861998 0.3344022 0.0000000 0.3204716 -1.6314892 20 O -2.4373939 0.0000000 0.0000000 0.0000000 -1.7861998 -0.3344022 0.0000000 -0.3204716 -1.6314892 21 O -2.0491525 -0.0974737 -0.3488095 -0.0957186 -1.7797386 -0.4067016 -0.2418083 -0.3631047 -2.1357376 22 O -2.1696226 -0.3880194 0.3072943 -0.4805473 -2.3271494 -0.2535965 0.3168015 -0.1967458 -1.7414389 23 Pb 3.2267350 0.0000000 0.0000000 0.0000000 3.7383814 0.1473461 0.0000000 0.1779788 3.5309727 24 Pb 3.2267350 0.0000000 0.0000000 0.0000000 3.7383814 -0.1473461 0.0000000 -0.1779788 3.5309727 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) 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 ... [ 5 11 12 ] 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: 0.70, Number of G-points: 289, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/126) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 126 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 1.451 ( 0.000 0.000 -0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 -0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.291 ( 0.000 0.000 -0.000) 0.000 7.654 ( 0.000 0.000 0.000) 0.000 7.981 ( 0.000 0.000 0.000) 0.000 8.256 ( 0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 -0.000) 0.000 8.517 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 0.000) 0.000 11.934 ( 0.000 0.000 -0.000) 0.000 12.342 ( 0.000 0.000 -0.000) 0.000 12.635 ( 0.000 0.000 0.000) 0.000 12.675 ( 0.000 0.000 0.000) 0.000 14.146 ( 0.000 0.000 0.000) 0.000 14.368 ( 0.000 0.000 0.000) 0.000 14.636 ( 0.000 0.000 0.000) 0.000 14.722 ( 0.000 0.000 -0.000) 0.000 15.387 ( 0.000 0.000 -0.000) 0.000 15.864 ( 0.000 0.000 -0.000) 0.000 16.488 ( 0.000 0.000 -0.000) 0.000 17.449 ( 0.000 0.000 0.000) 0.000 17.518 ( 0.000 0.000 -0.000) 0.000 17.742 ( 0.000 0.000 0.000) 0.000 18.171 ( 0.000 0.000 0.000) 0.000 18.780 ( 0.000 0.000 0.000) 0.000 18.854 ( 0.000 0.000 -0.000) 0.000 18.933 ( 0.000 0.000 -0.000) 0.000 19.269 ( 0.000 0.000 0.000) 0.000 20.968 ( 0.000 0.000 0.000) 0.000 21.062 ( 0.000 0.000 0.000) 0.000 21.291 ( 0.000 0.000 0.000) 0.000 22.227 ( 0.000 0.000 -0.000) 0.000 22.285 ( 0.000 0.000 0.000) 0.000 23.309 ( 0.000 0.000 -0.000) 0.000 23.389 ( 0.000 0.000 0.000) 0.000 23.513 ( 0.000 0.000 0.000) 0.000 23.600 ( 0.000 0.000 0.000) 0.000 23.729 ( 0.000 0.000 -0.000) 0.000 23.861 ( 0.000 0.000 0.000) 0.000 25.870 ( 0.000 0.000 0.000) 0.000 25.919 ( 0.000 0.000 0.000) 0.000 26.259 ( 0.000 0.000 -0.000) 0.000 27.244 ( 0.000 0.000 0.000) 0.000 27.430 ( 0.000 0.000 0.000) 0.000 27.925 ( 0.000 0.000 0.000) 0.000 28.029 ( 0.000 0.000 0.000) 0.000 28.697 ( 0.000 0.000 0.000) 0.000 29.814 ( 0.000 0.000 0.000) 0.000 29.816 ( 0.000 0.000 -0.000) 0.000 30.032 ( 0.000 0.000 0.000) 0.000 30.044 ( 0.000 0.000 -0.000) 0.000 30.572 ( 0.000 0.000 -0.000) 0.000 30.986 ( 0.000 0.000 -0.000) 0.000 31.859 ( 0.000 0.000 -0.000) 0.000 31.909 ( 0.000 0.000 0.000) 0.000 32.143 ( 0.000 0.000 0.000) 0.000 32.203 ( 0.000 0.000 -0.000) 0.000 33.558 ( 0.000 0.000 0.000) 0.000 33.802 ( 0.000 0.000 0.000) 0.000 35.093 ( 0.000 0.000 0.000) 0.000 39.145 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/126) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 35.294 0.000 0.000) 35.294 0.819 ( 41.558 0.000 0.000) 41.558 1.216 ( 52.692 0.000 0.000) 52.692 1.478 ( 8.611 0.000 0.000) 8.611 1.881 ( -3.351 0.000 0.000) 3.351 2.527 ( 17.308 0.000 0.000) 17.308 3.065 ( -7.163 0.000 0.000) 7.163 3.181 ( 13.829 0.000 0.000) 13.829 4.530 ( -26.326 0.000 0.000) 26.326 4.865 ( -26.556 0.000 0.000) 26.556 5.002 ( 15.075 0.000 0.000) 15.075 7.154 ( -0.741 0.000 0.000) 0.741 7.250 ( -3.836 0.000 0.000) 3.836 7.280 ( -41.391 0.000 0.000) 41.391 8.045 ( 4.663 0.000 0.000) 4.663 8.140 ( -4.109 0.000 0.000) 4.109 8.606 ( 12.628 0.000 0.000) 12.628 8.635 ( 13.016 0.000 0.000) 13.016 9.622 ( 18.950 0.000 0.000) 18.950 10.136 ( -2.919 0.000 0.000) 2.919 11.908 ( -2.150 0.000 0.000) 2.150 12.313 ( -4.939 0.000 0.000) 4.939 12.495 ( -13.525 0.000 0.000) 13.525 12.592 ( -7.576 0.000 0.000) 7.576 14.336 ( 16.495 0.000 0.000) 16.495 14.606 ( 22.098 0.000 0.000) 22.098 14.666 ( 3.865 0.000 0.000) 3.865 14.691 ( -1.043 0.000 0.000) 1.043 15.568 ( 15.638 0.000 0.000) 15.638 15.791 ( -4.655 0.000 0.000) 4.655 16.391 ( -10.577 0.000 0.000) 10.577 17.411 ( -12.903 0.000 0.000) 12.903 17.525 ( 0.433 0.000 0.000) 0.433 17.712 ( -30.848 0.000 0.000) 30.848 17.815 ( 7.852 0.000 0.000) 7.852 18.579 ( -15.278 0.000 0.000) 15.278 19.072 ( 8.821 0.000 0.000) 8.821 19.269 ( -0.160 0.000 0.000) 0.160 19.756 ( 31.171 0.000 0.000) 31.171 20.972 ( -9.553 0.000 0.000) 9.553 21.005 ( 3.932 0.000 0.000) 3.932 21.271 ( -2.289 0.000 0.000) 2.289 22.229 ( 0.194 0.000 0.000) 0.194 22.277 ( -0.841 0.000 0.000) 0.841 23.334 ( 0.625 0.000 0.000) 0.625 23.382 ( -0.764 0.000 0.000) 0.764 23.606 ( 0.635 0.000 0.000) 0.635 23.689 ( -2.569 0.000 0.000) 2.569 23.792 ( 2.197 0.000 0.000) 2.197 23.857 ( -0.388 0.000 0.000) 0.388 25.957 ( 3.935 0.000 0.000) 3.935 26.234 ( -2.698 0.000 0.000) 2.698 26.732 ( 3.846 0.000 0.000) 3.846 27.291 ( -12.536 0.000 0.000) 12.536 27.331 ( 6.615 0.000 0.000) 6.615 27.862 ( -6.742 0.000 0.000) 6.742 28.140 ( 10.075 0.000 0.000) 10.075 28.678 ( -5.619 0.000 0.000) 5.619 29.852 ( 3.781 0.000 0.000) 3.781 30.032 ( -1.285 0.000 0.000) 1.285 30.056 ( 2.720 0.000 0.000) 2.720 30.461 ( -9.269 0.000 0.000) 9.269 31.143 ( 13.846 0.000 0.000) 13.846 31.681 ( -1.844 0.000 0.000) 1.844 31.866 ( 0.867 0.000 0.000) 0.867 32.143 ( -6.194 0.000 0.000) 6.194 32.172 ( 3.059 0.000 0.000) 3.059 32.414 ( -3.055 0.000 0.000) 3.055 33.584 ( 2.616 0.000 0.000) 2.616 33.781 ( -2.300 0.000 0.000) 2.300 38.975 ( 1.990 0.000 0.000) 1.990 39.128 ( -1.802 0.000 0.000) 1.802 ======================= Grid point 2 (3/126) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 14.155 0.000 0.000) 14.155 1.343 ( 4.597 0.000 0.000) 4.597 1.488 ( 16.549 0.000 0.000) 16.549 1.764 ( -10.128 0.000 0.000) 10.128 2.235 ( 41.824 0.000 0.000) 41.824 2.801 ( -18.394 0.000 0.000) 18.394 3.053 ( 32.859 0.000 0.000) 32.859 3.493 ( 8.825 0.000 0.000) 8.825 3.981 ( -20.481 0.000 0.000) 20.481 4.284 ( -32.758 0.000 0.000) 32.758 5.479 ( 37.657 0.000 0.000) 37.657 6.348 ( -53.453 0.000 0.000) 53.453 7.148 ( 0.397 0.000 0.000) 0.397 7.180 ( -3.083 0.000 0.000) 3.083 8.119 ( 2.468 0.000 0.000) 2.468 8.130 ( 0.740 0.000 0.000) 0.740 8.837 ( 9.255 0.000 0.000) 9.255 8.859 ( 7.462 0.000 0.000) 7.462 9.900 ( 10.879 0.000 0.000) 10.879 10.052 ( -6.262 0.000 0.000) 6.262 11.906 ( 3.756 0.000 0.000) 3.756 12.082 ( -14.691 0.000 0.000) 14.691 12.398 ( 0.699 0.000 0.000) 0.699 12.459 ( -5.714 0.000 0.000) 5.714 14.560 ( 5.817 0.000 0.000) 5.817 14.629 ( -2.881 0.000 0.000) 2.881 14.855 ( 16.115 0.000 0.000) 16.115 15.021 ( 7.879 0.000 0.000) 7.879 15.681 ( 12.009 0.000 0.000) 12.009 16.075 ( 29.163 0.000 0.000) 29.163 16.090 ( -22.258 0.000 0.000) 22.258 16.746 ( -42.944 0.000 0.000) 42.944 17.528 ( 0.028 0.000 0.000) 0.028 17.534 ( -1.000 0.000 0.000) 1.000 18.016 ( 13.360 0.000 0.000) 13.360 18.288 ( -15.749 0.000 0.000) 15.749 19.199 ( 4.822 0.000 0.000) 4.822 19.256 ( -1.602 0.000 0.000) 1.602 20.303 ( 26.583 0.000 0.000) 26.583 20.716 ( -18.192 0.000 0.000) 18.192 21.101 ( 5.934 0.000 0.000) 5.934 21.205 ( -4.902 0.000 0.000) 4.902 22.237 ( 0.777 0.000 0.000) 0.777 22.256 ( -1.212 0.000 0.000) 1.212 23.348 ( 0.881 0.000 0.000) 0.881 23.365 ( -0.937 0.000 0.000) 0.937 23.622 ( 1.071 0.000 0.000) 1.071 23.648 ( -1.809 0.000 0.000) 1.809 23.825 ( 1.455 0.000 0.000) 1.455 23.846 ( -0.824 0.000 0.000) 0.824 26.053 ( 6.045 0.000 0.000) 6.045 26.160 ( -5.178 0.000 0.000) 5.178 26.844 ( 8.514 0.000 0.000) 8.514 27.045 ( -12.912 0.000 0.000) 12.912 27.494 ( 10.558 0.000 0.000) 10.558 27.696 ( -10.641 0.000 0.000) 10.641 28.343 ( 11.190 0.000 0.000) 11.190 28.536 ( -9.419 0.000 0.000) 9.419 29.932 ( 4.228 0.000 0.000) 4.228 29.996 ( -2.692 0.000 0.000) 2.692 30.138 ( 6.373 0.000 0.000) 6.373 30.285 ( -9.237 0.000 0.000) 9.237 31.413 ( 13.966 0.000 0.000) 13.966 31.609 ( -6.776 0.000 0.000) 6.776 31.900 ( 3.326 0.000 0.000) 3.326 32.003 ( -7.681 0.000 0.000) 7.681 32.248 ( 4.845 0.000 0.000) 4.845 32.339 ( -4.817 0.000 0.000) 4.817 33.647 ( 4.040 0.000 0.000) 4.040 33.722 ( -3.847 0.000 0.000) 3.847 39.024 ( 3.118 0.000 0.000) 3.118 39.082 ( -3.003 0.000 0.000) 3.003 ======================= Grid point 5 (4/126) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 0.000 37.016 0.000) 37.016 0.879 ( 0.000 40.163 0.000) 40.163 1.313 ( 0.000 42.923 0.000) 42.923 1.663 ( 0.000 25.776 0.000) 25.776 1.934 ( 0.000 0.882 0.000) 0.882 3.040 ( 0.000 -7.539 0.000) 7.539 3.163 ( 0.000 10.805 0.000) 10.805 3.675 ( 0.000 8.819 0.000) 8.819 4.452 ( 0.000 34.230 0.000) 34.230 5.095 ( 0.000 21.368 0.000) 21.368 5.369 ( 0.000 28.098 0.000) 28.098 7.189 ( 0.000 -4.254 0.000) 4.254 7.336 ( 0.000 1.018 0.000) 1.018 7.562 ( 0.000 -7.388 0.000) 7.388 7.651 ( 0.000 -29.652 0.000) 29.652 8.052 ( 0.000 5.741 0.000) 5.741 8.358 ( 0.000 -13.029 0.000) 13.029 9.232 ( 0.000 40.043 0.000) 40.043 9.391 ( 0.000 2.919 0.000) 2.919 10.357 ( 0.000 17.727 0.000) 17.727 11.906 ( 0.000 -2.994 0.000) 2.994 12.283 ( 0.000 -5.946 0.000) 5.946 12.639 ( 0.000 -0.344 0.000) 0.344 12.777 ( 0.000 9.387 0.000) 9.387 14.102 ( 0.000 -4.806 0.000) 4.806 14.257 ( 0.000 -9.454 0.000) 9.454 14.625 ( 0.000 -1.607 0.000) 1.607 14.638 ( 0.000 -11.277 0.000) 11.277 15.356 ( 0.000 -2.171 0.000) 2.171 15.951 ( 0.000 -3.962 0.000) 3.962 16.444 ( 0.000 -4.438 0.000) 4.438 17.339 ( 0.000 -12.782 0.000) 12.782 17.450 ( 0.000 -3.444 0.000) 3.444 17.682 ( 0.000 -13.844 0.000) 13.844 18.380 ( 0.000 9.641 0.000) 9.641 18.792 ( 0.000 -6.941 0.000) 6.941 18.857 ( 0.000 7.404 0.000) 7.404 18.971 ( 0.000 7.409 0.000) 7.409 19.475 ( 0.000 15.784 0.000) 15.784 20.941 ( 0.000 -2.967 0.000) 2.967 21.276 ( 0.000 -1.542 0.000) 1.542 21.433 ( 0.000 -1.724 0.000) 1.724 22.260 ( 0.000 3.014 0.000) 3.014 22.320 ( 0.000 3.706 0.000) 3.706 23.201 ( 0.000 -13.162 0.000) 13.162 23.444 ( 0.000 -2.496 0.000) 2.496 23.609 ( 0.000 -1.728 0.000) 1.728 23.630 ( 0.000 -9.154 0.000) 9.154 23.698 ( 0.000 -3.041 0.000) 3.041 24.243 ( 0.000 -30.102 0.000) 30.102 25.887 ( 0.000 2.261 0.000) 2.261 25.952 ( 0.000 0.876 0.000) 0.876 26.930 ( 0.000 -5.370 0.000) 5.370 26.950 ( 0.000 -15.258 0.000) 15.258 27.701 ( 0.000 13.373 0.000) 13.373 28.039 ( 0.000 4.072 0.000) 4.072 28.669 ( 0.000 -2.128 0.000) 2.128 29.082 ( 0.000 2.230 0.000) 2.230 29.761 ( 0.000 -4.516 0.000) 4.516 29.902 ( 0.000 6.460 0.000) 6.460 30.112 ( 0.000 5.888 0.000) 5.888 30.291 ( 0.000 22.918 0.000) 22.918 31.049 ( 0.000 3.866 0.000) 3.866 31.082 ( 0.000 -2.667 0.000) 2.667 31.848 ( 0.000 -3.041 0.000) 3.041 32.256 ( 0.000 4.942 0.000) 4.942 32.284 ( 0.000 12.929 0.000) 12.929 33.695 ( 0.000 -9.217 0.000) 9.217 33.743 ( 0.000 16.507 0.000) 16.507 35.077 ( 0.000 -1.471 0.000) 1.471 35.214 ( 0.000 8.906 0.000) 8.906 38.875 ( 0.000 -28.605 0.000) 28.605 ======================= Grid point 6 (5/126) ======================= q-point: ( 0.20 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 22.952 24.575 0.000) 33.626 1.204 ( 21.320 22.400 0.000) 30.924 1.490 ( 8.225 15.148 0.000) 17.237 1.798 ( 18.260 28.330 0.000) 33.705 1.913 ( 0.849 5.780 0.000) 5.842 2.993 ( -5.748 -6.231 0.000) 8.477 3.274 ( 10.619 19.459 0.000) 22.168 3.403 ( -0.725 39.606 0.000) 39.612 4.811 ( 8.990 6.939 0.000) 11.357 4.861 ( -15.402 23.920 0.000) 28.450 5.108 ( -19.766 24.534 0.000) 31.506 7.064 ( -32.616 -11.935 0.000) 34.731 7.181 ( -1.194 -1.044 0.000) 1.586 7.338 ( -8.323 0.350 0.000) 8.330 7.863 ( 13.278 -11.036 0.000) 17.266 8.151 ( 6.036 2.360 0.000) 6.481 8.517 ( 14.917 -9.156 0.000) 17.503 8.949 ( -10.543 22.020 0.000) 24.414 9.745 ( 19.989 13.175 0.000) 23.940 10.335 ( -2.544 17.597 0.000) 17.780 11.893 ( -1.787 -1.608 0.000) 2.404 12.289 ( 1.622 -4.634 0.000) 4.910 12.400 ( -19.362 -3.885 0.000) 19.748 12.743 ( -6.881 10.828 0.000) 12.829 14.242 ( 11.830 -9.000 0.000) 14.864 14.390 ( 10.170 -14.929 0.000) 18.064 14.608 ( 2.027 -6.587 0.000) 6.891 14.749 ( 12.439 -0.093 0.000) 12.439 15.536 ( 16.189 -2.863 0.000) 16.440 15.806 ( -10.671 -1.419 0.000) 10.765 16.316 ( -12.031 -6.145 0.000) 13.510 17.212 ( -18.322 -7.088 0.000) 19.645 17.497 ( 4.355 -3.504 0.000) 5.590 17.632 ( 6.386 -9.283 0.000) 11.267 18.081 ( -21.616 12.600 0.000) 25.020 18.540 ( -16.932 -2.670 0.000) 17.141 19.088 ( 11.571 3.726 0.000) 12.156 19.436 ( 6.074 10.717 0.000) 12.318 19.586 ( 34.261 -2.074 0.000) 34.323 20.941 ( 0.812 -2.204 0.000) 2.349 21.143 ( -17.697 0.816 0.000) 17.715 21.279 ( -5.486 1.256 0.000) 5.628 22.265 ( 0.705 3.415 0.000) 3.487 22.326 ( -0.002 4.400 0.000) 4.400 23.205 ( 0.528 -13.373 0.000) 13.383 23.377 ( -5.834 -5.091 0.000) 7.743 23.581 ( 0.257 -2.703 0.000) 2.715 23.680 ( -1.772 -2.443 0.000) 3.018 23.699 ( 4.035 -6.209 0.000) 7.405 24.013 ( -13.095 -6.860 0.000) 14.782 25.957 ( 2.691 3.579 0.000) 4.478 25.989 ( 4.525 -9.001 0.000) 10.074 26.777 ( -7.845 -3.477 0.000) 8.581 26.952 ( -1.095 -14.621 0.000) 14.662 27.666 ( -1.638 14.830 0.000) 14.920 28.104 ( 3.730 6.175 0.000) 7.214 28.352 ( -23.787 20.420 0.000) 31.350 28.671 ( -9.248 0.956 0.000) 9.297 29.766 ( 5.877 -6.734 0.000) 8.938 30.067 ( -1.797 3.361 0.000) 3.811 30.163 ( 4.607 8.387 0.000) 9.569 30.483 ( 1.445 7.179 0.000) 7.323 31.183 ( 15.803 -3.072 0.000) 16.099 31.288 ( 14.411 -4.071 0.000) 14.975 31.818 ( -2.427 -4.609 0.000) 5.209 32.203 ( -5.835 4.315 0.000) 7.257 32.325 ( 3.939 13.337 0.000) 13.907 33.072 ( -38.413 21.194 0.000) 43.871 33.781 ( 3.358 17.497 0.000) 17.817 34.089 ( -10.907 29.902 0.000) 31.829 37.438 ( 81.947 -81.103 0.000) 115.295 38.826 ( -5.265 -30.383 0.000) 30.836 ======================= Grid point 7 (6/126) ======================= q-point: ( 0.40 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 11.302 14.001 0.000) 17.993 1.489 ( 3.334 12.548 0.000) 12.983 1.573 ( 10.603 7.612 0.000) 13.052 1.781 ( -8.433 1.933 0.000) 8.652 2.373 ( 29.352 11.591 0.000) 31.558 2.797 ( -16.256 -0.989 0.000) 16.286 3.614 ( 27.285 43.796 0.000) 51.600 3.704 ( 23.792 17.070 0.000) 29.283 4.308 ( -29.704 25.079 0.000) 38.876 4.409 ( -35.104 17.413 0.000) 39.185 5.476 ( 38.212 7.189 0.000) 38.882 6.286 ( -46.895 -1.218 0.000) 46.911 7.181 ( 1.125 1.433 0.000) 1.822 7.229 ( -4.197 2.466 0.000) 4.867 8.076 ( 9.015 -2.950 0.000) 9.486 8.183 ( -2.488 1.537 0.000) 2.924 8.784 ( 11.146 -3.950 0.000) 11.825 8.883 ( -0.821 5.859 0.000) 5.916 10.049 ( 13.346 13.867 0.000) 19.246 10.245 ( -7.700 16.475 0.000) 18.186 11.881 ( 2.774 -2.739 0.000) 3.898 12.051 ( -15.506 -3.513 0.000) 15.898 12.384 ( 8.003 0.391 0.000) 8.013 12.564 ( -10.830 8.129 0.000) 13.541 14.400 ( 4.897 -14.411 0.000) 15.220 14.455 ( -1.359 -15.892 0.000) 15.950 14.823 ( 17.288 -3.987 0.000) 17.742 15.002 ( 5.280 -4.246 0.000) 6.776 15.608 ( 2.966 -5.332 0.000) 6.101 15.826 ( -6.571 -14.198 0.000) 15.645 16.209 ( 15.385 4.979 0.000) 16.171 16.726 ( -31.675 0.840 0.000) 31.686 17.585 ( 6.007 3.718 0.000) 7.065 17.739 ( -10.513 13.756 0.000) 17.313 17.892 ( 14.786 -11.138 0.000) 18.511 18.212 ( -18.220 -5.755 0.000) 19.107 19.270 ( 8.323 7.248 0.000) 11.036 19.395 ( -5.152 11.385 0.000) 12.497 20.241 ( 31.202 -4.733 0.000) 31.559 20.734 ( -22.829 0.321 0.000) 22.831 21.044 ( 6.318 -4.492 0.000) 7.753 21.174 ( -6.780 -2.139 0.000) 7.109 22.287 ( 1.502 4.541 0.000) 4.783 22.314 ( -1.216 5.196 0.000) 5.336 23.226 ( 1.899 -12.870 0.000) 13.009 23.281 ( -4.137 -10.010 0.000) 10.831 23.605 ( 1.861 -1.779 0.000) 2.575 23.642 ( -2.124 -1.704 0.000) 2.723 23.771 ( 3.968 -5.103 0.000) 6.464 23.855 ( -5.576 -3.838 0.000) 6.769 26.001 ( 2.357 -1.954 0.000) 3.062 26.031 ( -0.248 -5.986 0.000) 5.991 26.757 ( 4.592 -7.973 0.000) 9.201 26.879 ( -6.680 -11.006 0.000) 12.874 27.714 ( 7.521 15.515 0.000) 17.242 27.925 ( -14.492 18.265 0.000) 23.316 28.324 ( 9.041 -1.493 0.000) 9.163 28.502 ( -9.712 -2.283 0.000) 9.977 29.896 ( 7.122 -3.780 0.000) 8.063 30.006 ( -4.666 0.390 0.000) 4.682 30.258 ( 6.265 10.623 0.000) 12.333 30.391 ( -7.616 9.249 0.000) 11.981 31.435 ( 9.338 -3.141 0.000) 9.853 31.489 ( 4.882 0.213 0.000) 4.887 31.822 ( 5.748 -5.613 0.000) 8.034 32.026 ( -12.737 1.910 0.000) 12.880 32.428 ( 7.414 14.961 0.000) 16.697 32.619 ( -14.717 18.806 0.000) 23.880 33.862 ( 5.199 19.328 0.000) 20.015 33.963 ( -5.626 22.050 0.000) 22.757 38.339 ( 27.264 -54.885 0.000) 61.284 38.673 ( -11.892 -37.518 0.000) 39.358 ======================= Grid point 10 (7/126) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.000 21.533 0.000) 21.533 1.574 ( 0.000 26.650 0.000) 26.650 1.787 ( 0.000 16.402 0.000) 16.402 1.947 ( 0.000 1.221 0.000) 1.221 2.322 ( 0.000 24.598 0.000) 24.598 2.856 ( 0.000 -9.845 0.000) 9.845 3.510 ( 0.000 23.358 0.000) 23.358 3.986 ( 0.000 22.484 0.000) 22.484 5.490 ( 0.000 62.171 0.000) 62.171 5.524 ( 0.000 22.987 0.000) 22.987 6.164 ( 0.000 37.861 0.000) 37.861 6.963 ( 0.000 -25.760 0.000) 25.760 7.139 ( 0.000 -0.923 0.000) 0.923 7.469 ( 0.000 -1.101 0.000) 1.101 7.469 ( 0.000 3.692 0.000) 3.692 8.124 ( 0.000 -3.979 0.000) 3.979 8.182 ( 0.000 6.976 0.000) 6.976 9.481 ( 0.000 5.908 0.000) 5.908 10.004 ( 0.000 34.087 0.000) 34.087 10.827 ( 0.000 27.088 0.000) 27.088 11.788 ( 0.000 -9.524 0.000) 9.524 12.113 ( 0.000 -9.904 0.000) 9.904 12.573 ( 0.000 -7.176 0.000) 7.176 13.019 ( 0.000 12.715 0.000) 12.715 13.921 ( 0.000 -13.743 0.000) 13.743 14.052 ( 0.000 -9.731 0.000) 9.731 14.313 ( 0.000 -19.758 0.000) 19.758 14.570 ( 0.000 -2.544 0.000) 2.544 15.340 ( 0.000 1.237 0.000) 1.237 15.841 ( 0.000 -7.005 0.000) 7.005 16.328 ( 0.000 -5.354 0.000) 5.354 17.023 ( 0.000 -16.243 0.000) 16.243 17.345 ( 0.000 -7.109 0.000) 7.109 17.500 ( 0.000 -3.505 0.000) 3.505 18.504 ( 0.000 3.711 0.000) 3.711 18.660 ( 0.000 -6.293 0.000) 6.293 19.024 ( 0.000 6.638 0.000) 6.638 19.142 ( 0.000 8.394 0.000) 8.394 19.833 ( 0.000 18.605 0.000) 18.605 20.827 ( 0.000 -8.485 0.000) 8.485 21.226 ( 0.000 -3.530 0.000) 3.530 21.383 ( 0.000 -3.112 0.000) 3.112 22.330 ( 0.000 3.031 0.000) 3.031 22.440 ( 0.000 7.687 0.000) 7.687 22.770 ( 0.000 -27.471 0.000) 27.471 23.190 ( 0.000 -36.258 0.000) 36.258 23.390 ( 0.000 -5.616 0.000) 5.616 23.532 ( 0.000 -3.510 0.000) 3.510 23.547 ( 0.000 -10.345 0.000) 10.345 23.802 ( 0.000 -7.564 0.000) 7.564 25.927 ( 0.000 -2.190 0.000) 2.190 25.987 ( 0.000 7.643 0.000) 7.643 26.719 ( 0.000 -7.361 0.000) 7.361 26.824 ( 0.000 -4.951 0.000) 4.951 27.877 ( 0.000 3.340 0.000) 3.340 28.121 ( 0.000 3.966 0.000) 3.966 28.647 ( 0.000 0.851 0.000) 0.851 29.177 ( 0.000 5.631 0.000) 5.631 29.664 ( 0.000 -4.461 0.000) 4.461 30.080 ( 0.000 11.119 0.000) 11.119 30.247 ( 0.000 6.553 0.000) 6.553 30.755 ( 0.000 15.657 0.000) 15.657 31.033 ( 0.000 -6.202 0.000) 6.202 31.070 ( 0.000 5.817 0.000) 5.817 31.892 ( 0.000 7.857 0.000) 7.857 32.381 ( 0.000 6.309 0.000) 6.309 32.641 ( 0.000 21.208 0.000) 21.208 33.504 ( 0.000 -7.159 0.000) 7.159 34.149 ( 0.000 21.367 0.000) 21.367 35.035 ( 0.000 -2.531 0.000) 2.531 35.427 ( 0.000 11.010 0.000) 11.010 38.090 ( 0.000 -45.917 0.000) 45.917 ======================= Grid point 11 (8/126) ======================= q-point: ( 0.20 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 8.295 17.118 0.000) 19.022 1.645 ( 6.316 19.779 0.000) 20.763 1.796 ( 0.428 14.809 0.000) 14.815 1.920 ( -2.927 1.617 0.000) 3.344 2.402 ( 8.263 19.911 0.000) 21.558 2.838 ( -2.260 -8.351 0.000) 8.652 3.663 ( 16.637 23.943 0.000) 29.155 4.070 ( 10.450 26.048 0.000) 28.067 5.256 ( -25.377 24.680 0.000) 35.399 5.616 ( 9.850 56.107 0.000) 56.965 5.778 ( -31.733 27.294 0.000) 41.856 6.877 ( -12.805 -3.629 0.000) 13.309 7.143 ( 1.048 -1.403 0.000) 1.751 7.328 ( -5.869 0.954 0.000) 5.946 7.743 ( 18.361 1.131 0.000) 18.396 8.141 ( 3.250 -0.624 0.000) 3.309 8.441 ( 20.641 3.415 0.000) 20.921 9.313 ( -13.377 13.884 0.000) 19.280 10.159 ( 13.085 24.978 0.000) 28.198 10.771 ( -5.435 23.302 0.000) 23.927 11.839 ( -0.344 -3.928 0.000) 3.943 12.087 ( 1.656 -13.270 0.000) 13.373 12.350 ( -16.803 -3.807 0.000) 17.229 12.973 ( -7.727 9.970 0.000) 12.614 13.961 ( 3.591 -17.443 0.000) 17.809 14.060 ( 0.159 -17.238 0.000) 17.239 14.421 ( 11.653 -10.905 0.000) 15.960 14.669 ( 9.424 -6.285 0.000) 11.328 15.486 ( 11.368 -1.312 0.000) 11.443 15.725 ( -9.595 -5.990 0.000) 11.311 16.217 ( -7.123 -1.659 0.000) 7.314 17.138 ( 0.112 -3.944 0.000) 3.946 17.303 ( -0.849 -11.402 0.000) 11.433 17.470 ( 4.617 -6.581 0.000) 8.039 18.249 ( -17.286 4.538 0.000) 17.872 18.508 ( -17.386 -0.078 0.000) 17.386 19.183 ( 14.905 3.202 0.000) 15.245 19.516 ( 28.701 2.370 0.000) 28.798 19.811 ( -1.594 16.383 0.000) 16.461 20.843 ( 2.390 -7.817 0.000) 8.174 21.099 ( -15.147 -3.059 0.000) 15.452 21.286 ( -7.302 -0.981 0.000) 7.368 22.333 ( 0.911 1.053 0.000) 1.392 22.457 ( 0.984 8.451 0.000) 8.508 22.781 ( 1.148 -26.066 0.000) 26.091 23.064 ( -9.372 -28.193 0.000) 29.710 23.480 ( 5.842 -11.762 0.000) 13.132 23.535 ( 0.475 -3.446 0.000) 3.479 23.555 ( 0.897 -9.591 0.000) 9.633 23.771 ( -3.090 -6.630 0.000) 7.315 25.893 ( 0.496 -1.467 0.000) 1.549 26.115 ( 7.671 9.711 0.000) 12.376 26.660 ( -12.053 -6.039 0.000) 13.481 26.733 ( -0.069 -7.058 0.000) 7.058 27.897 ( 2.355 7.137 0.000) 7.516 28.171 ( 5.361 1.848 0.000) 5.670 28.580 ( -7.848 4.090 0.000) 8.850 28.828 ( -27.525 11.992 0.000) 30.024 29.644 ( 4.685 -5.053 0.000) 6.891 30.144 ( -5.500 3.521 0.000) 6.530 30.347 ( 10.888 9.459 0.000) 14.423 30.680 ( -5.979 5.948 0.000) 8.434 31.124 ( 13.289 3.993 0.000) 13.876 31.325 ( 18.853 -0.005 0.000) 18.853 31.827 ( -6.947 7.240 0.000) 10.034 32.300 ( -8.737 4.207 0.000) 9.697 32.684 ( 4.286 20.873 0.000) 21.308 33.265 ( -18.727 5.317 0.000) 19.467 34.210 ( 5.607 22.624 0.000) 23.309 34.684 ( -14.365 23.495 0.000) 27.538 36.296 ( 57.646 -35.826 0.000) 67.872 38.007 ( -9.197 -47.098 0.000) 47.988 ======================= Grid point 12 (9/126) ======================= q-point: ( 0.40 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 8.589 10.088 0.000) 13.249 1.755 ( 4.790 11.406 0.000) 12.371 1.782 ( -2.465 13.060 0.000) 13.291 1.843 ( -5.015 4.275 0.000) 6.590 2.591 ( 10.797 7.652 0.000) 13.234 2.758 ( -6.759 -2.931 0.000) 7.367 4.100 ( 29.387 23.583 0.000) 37.680 4.414 ( 27.064 26.727 0.000) 38.037 4.692 ( -32.934 24.604 0.000) 41.110 5.047 ( -39.012 26.769 0.000) 47.313 6.000 ( 25.224 41.921 0.000) 48.925 6.495 ( -26.232 22.415 0.000) 34.505 7.185 ( 3.054 -0.388 0.000) 3.078 7.247 ( -3.630 0.518 0.000) 3.667 8.032 ( 11.766 1.957 0.000) 11.927 8.164 ( -2.449 0.019 0.000) 2.449 8.814 ( 17.958 6.760 0.000) 19.189 9.082 ( -12.038 12.502 0.000) 17.355 10.413 ( 13.663 20.419 0.000) 24.569 10.635 ( -9.736 20.184 0.000) 22.409 11.778 ( -0.197 -7.682 0.000) 7.685 11.924 ( -15.022 -8.697 0.000) 17.358 12.407 ( 17.305 0.440 0.000) 17.311 12.736 ( -16.658 6.712 0.000) 17.959 14.020 ( 2.370 -21.314 0.000) 21.445 14.050 ( -1.102 -21.881 0.000) 21.908 14.679 ( 13.799 -9.302 0.000) 16.642 14.814 ( 1.986 -12.724 0.000) 12.878 15.510 ( -1.337 -3.503 0.000) 3.750 15.613 ( -7.821 -6.152 0.000) 9.950 16.328 ( 21.105 6.855 0.000) 22.191 16.799 ( -25.834 5.638 0.000) 26.442 17.519 ( 13.286 -13.455 0.000) 18.909 17.623 ( 6.860 -12.018 0.000) 13.838 17.983 ( -6.672 9.013 0.000) 11.214 18.158 ( -18.689 2.191 0.000) 18.817 19.439 ( 12.649 7.065 0.000) 14.488 19.643 ( -8.848 10.812 0.000) 13.971 20.156 ( 31.006 -2.527 0.000) 31.109 20.686 ( -25.476 -4.879 0.000) 25.939 20.964 ( 7.963 -2.742 0.000) 8.422 21.136 ( -9.329 -1.707 0.000) 9.484 22.378 ( 3.744 1.149 0.000) 3.916 22.445 ( -2.612 5.986 0.000) 6.531 22.819 ( 3.298 -23.849 0.000) 24.076 22.911 ( -6.771 -24.254 0.000) 25.182 23.535 ( 0.883 -11.060 0.000) 11.095 23.544 ( -0.019 -6.965 0.000) 6.965 23.612 ( 4.877 -6.516 0.000) 8.139 23.700 ( -4.439 -5.977 0.000) 7.445 25.963 ( 6.856 0.904 0.000) 6.915 26.118 ( -7.810 8.865 0.000) 11.815 26.583 ( 5.118 -7.216 0.000) 8.846 26.699 ( -4.636 -5.647 0.000) 7.306 27.998 ( 9.841 10.518 0.000) 14.405 28.265 ( -12.058 3.861 0.000) 12.661 28.327 ( 0.924 11.208 0.000) 11.246 28.492 ( -10.699 2.653 0.000) 11.023 29.793 ( 10.136 -5.957 0.000) 11.757 29.987 ( -10.257 -2.706 0.000) 10.608 30.495 ( 5.762 10.938 0.000) 12.363 30.585 ( -4.557 7.771 0.000) 9.008 31.394 ( 14.478 3.107 0.000) 14.807 31.629 ( -6.719 10.020 0.000) 12.064 31.718 ( 15.521 -3.864 0.000) 15.994 32.061 ( -16.794 1.090 0.000) 16.830 32.793 ( 7.609 19.924 0.000) 21.328 32.973 ( -12.383 16.514 0.000) 20.641 34.336 ( 7.753 24.681 0.000) 25.870 34.488 ( -8.797 25.894 0.000) 27.347 37.199 ( 38.627 -51.705 0.000) 64.540 37.736 ( -20.931 -50.260 0.000) 54.444 ======================= Grid point 15 (10/126) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 0.000 9.656 0.000) 9.656 1.953 ( 0.000 11.364 0.000) 11.364 1.956 ( 0.000 0.853 0.000) 0.853 2.105 ( 0.000 13.573 0.000) 13.573 2.638 ( 0.000 8.394 0.000) 8.394 2.661 ( 0.000 -8.809 0.000) 8.809 4.078 ( 0.000 30.372 0.000) 30.372 4.579 ( 0.000 33.841 0.000) 33.841 6.028 ( 0.000 24.674 0.000) 24.674 6.394 ( 0.000 -5.512 0.000) 5.512 6.526 ( 0.000 1.203 0.000) 1.203 6.598 ( 0.000 4.332 0.000) 4.332 7.240 ( 0.000 0.052 0.000) 0.052 7.500 ( 0.000 29.931 0.000) 29.931 7.843 ( 0.000 21.148 0.000) 21.148 8.362 ( 0.000 26.084 0.000) 26.084 8.425 ( 0.000 22.128 0.000) 22.128 9.655 ( 0.000 12.870 0.000) 12.870 10.594 ( 0.000 23.856 0.000) 23.856 11.375 ( 0.000 22.889 0.000) 22.889 11.471 ( 0.000 -22.034 0.000) 22.034 11.936 ( 0.000 -4.752 0.000) 4.752 12.376 ( 0.000 -9.758 0.000) 9.758 13.216 ( 0.000 3.747 0.000) 3.747 13.540 ( 0.000 -21.464 0.000) 21.464 13.794 ( 0.000 -18.226 0.000) 18.226 13.877 ( 0.000 -22.305 0.000) 22.305 14.638 ( 0.000 11.360 0.000) 11.360 15.401 ( 0.000 3.932 0.000) 3.932 15.677 ( 0.000 -7.811 0.000) 7.811 16.284 ( 0.000 1.281 0.000) 1.281 16.721 ( 0.000 -13.003 0.000) 13.003 17.188 ( 0.000 -6.842 0.000) 6.842 17.523 ( 0.000 5.164 0.000) 5.164 18.494 ( 0.000 -10.985 0.000) 10.985 18.568 ( 0.000 2.827 0.000) 2.827 19.057 ( 0.000 -4.088 0.000) 4.088 19.308 ( 0.000 8.287 0.000) 8.287 20.217 ( 0.000 18.759 0.000) 18.759 20.597 ( 0.000 -13.809 0.000) 13.809 21.117 ( 0.000 -8.031 0.000) 8.031 21.310 ( 0.000 -3.676 0.000) 3.676 22.129 ( 0.000 -31.489 0.000) 31.489 22.306 ( 0.000 -16.295 0.000) 16.295 22.453 ( 0.000 -21.098 0.000) 21.098 22.640 ( 0.000 9.447 0.000) 9.447 23.203 ( 0.000 -10.375 0.000) 10.375 23.390 ( 0.000 -4.293 0.000) 4.293 23.502 ( 0.000 -0.667 0.000) 0.667 23.724 ( 0.000 -2.403 0.000) 2.403 25.911 ( 0.000 1.304 0.000) 1.304 26.174 ( 0.000 9.852 0.000) 9.852 26.627 ( 0.000 -2.346 0.000) 2.346 26.710 ( 0.000 -6.607 0.000) 6.607 27.847 ( 0.000 -5.220 0.000) 5.220 28.213 ( 0.000 5.262 0.000) 5.262 28.717 ( 0.000 5.504 0.000) 5.504 29.264 ( 0.000 2.575 0.000) 2.575 29.591 ( 0.000 -2.669 0.000) 2.669 30.325 ( 0.000 11.472 0.000) 11.472 30.359 ( 0.000 4.142 0.000) 4.142 30.842 ( 0.000 -0.343 0.000) 0.343 30.851 ( 0.000 -9.961 0.000) 9.961 31.359 ( 0.000 15.552 0.000) 15.552 32.109 ( 0.000 11.694 0.000) 11.694 32.449 ( 0.000 -0.934 0.000) 0.934 33.107 ( 0.000 23.437 0.000) 23.437 33.505 ( 0.000 9.093 0.000) 9.093 34.533 ( 0.000 13.763 0.000) 13.763 34.997 ( 0.000 0.268 0.000) 0.268 35.636 ( 0.000 9.011 0.000) 9.011 37.093 ( 0.000 -49.860 0.000) 49.860 ======================= Grid point 16 (11/126) ======================= q-point: ( 0.20 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 2.788 8.060 0.000) 8.528 1.928 ( -1.876 3.569 0.000) 4.032 1.974 ( 1.125 7.909 0.000) 7.988 2.086 ( -1.961 12.980 0.000) 13.127 2.630 ( 0.541 0.759 0.000) 0.932 2.692 ( 1.660 -1.983 0.000) 2.586 4.225 ( 15.670 29.244 0.000) 33.177 4.646 ( 7.541 30.567 0.000) 31.483 5.769 ( -25.066 24.082 0.000) 34.760 5.952 ( -31.866 -3.987 0.000) 32.114 6.563 ( 4.413 16.997 0.000) 17.560 6.824 ( 10.188 -5.514 0.000) 11.585 7.256 ( 0.190 16.902 0.000) 16.903 7.422 ( -3.599 12.368 0.000) 12.881 8.062 ( 16.921 26.727 0.000) 31.633 8.356 ( 0.686 21.427 0.000) 21.438 8.649 ( 20.312 21.414 0.000) 29.515 9.597 ( -6.665 16.940 0.000) 18.204 10.656 ( 6.871 22.164 0.000) 23.205 11.161 ( -10.578 8.694 0.000) 13.693 11.731 ( 1.068 -6.310 0.000) 6.399 11.814 ( 2.133 -9.310 0.000) 9.551 12.222 ( -13.859 -7.007 0.000) 15.530 13.049 ( -13.681 -5.368 0.000) 14.697 13.536 ( 0.364 -22.229 0.000) 22.232 13.729 ( -4.503 -16.647 0.000) 17.245 14.147 ( 20.297 -15.945 0.000) 25.811 14.650 ( 0.860 7.838 0.000) 7.885 15.492 ( 6.292 1.261 0.000) 6.417 15.595 ( -6.605 -5.307 0.000) 8.473 16.260 ( 1.565 4.928 0.000) 5.171 16.880 ( 14.514 -16.033 0.000) 21.627 17.235 ( 0.305 -2.963 0.000) 2.979 17.378 ( -10.711 1.734 0.000) 10.850 18.280 ( -12.631 -1.554 0.000) 12.726 18.525 ( -12.652 1.157 0.000) 12.705 19.156 ( 14.707 -5.967 0.000) 15.871 19.579 ( 20.959 3.257 0.000) 21.211 20.117 ( -8.760 10.933 0.000) 14.010 20.657 ( 5.019 -7.797 0.000) 9.272 21.020 ( -10.466 -5.886 0.000) 12.007 21.254 ( -5.137 -1.382 0.000) 5.319 22.048 ( -4.567 -28.427 0.000) 28.791 22.278 ( -4.973 -29.377 0.000) 29.795 22.551 ( 8.725 -7.477 0.000) 11.490 22.667 ( 2.570 9.128 0.000) 9.483 23.217 ( 1.311 -12.133 0.000) 12.203 23.371 ( -2.091 -6.636 0.000) 6.958 23.514 ( 1.606 -0.540 0.000) 1.694 23.700 ( -2.492 -2.116 0.000) 3.269 25.900 ( 1.152 1.989 0.000) 2.298 26.315 ( 12.191 9.081 0.000) 15.202 26.546 ( -15.212 -5.257 0.000) 16.095 26.651 ( 1.950 -1.221 0.000) 2.301 27.936 ( 8.016 -3.088 0.000) 8.590 28.215 ( 0.666 3.054 0.000) 3.125 28.685 ( -3.563 6.849 0.000) 7.720 29.032 ( -22.283 7.848 0.000) 23.625 29.551 ( 1.302 -4.273 0.000) 4.467 30.178 ( -14.722 -0.915 0.000) 14.750 30.527 ( 11.915 7.357 0.000) 14.003 30.688 ( -2.403 -1.896 0.000) 3.061 31.199 ( 20.612 -0.701 0.000) 20.624 31.423 ( 8.201 11.581 0.000) 14.191 32.051 ( -6.623 12.414 0.000) 14.070 32.337 ( -11.289 -0.918 0.000) 11.326 33.135 ( 3.041 22.502 0.000) 22.707 33.444 ( -5.597 13.806 0.000) 14.897 34.629 ( 8.482 16.350 0.000) 18.419 34.997 ( -1.245 7.503 0.000) 7.606 35.839 ( 20.976 -10.462 0.000) 23.440 37.005 ( -9.618 -49.172 0.000) 50.104 ======================= Grid point 17 (12/126) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 3.807 4.913 0.000) 6.215 1.882 ( -3.177 2.664 0.000) 4.146 2.001 ( 1.898 9.134 0.000) 9.329 2.042 ( -2.487 10.991 0.000) 11.269 2.661 ( 2.443 -0.947 0.000) 2.620 2.699 ( -1.058 -1.234 0.000) 1.626 4.627 ( 26.532 26.171 0.000) 37.268 4.863 ( 14.201 21.634 0.000) 25.878 5.243 ( -27.308 25.070 0.000) 37.070 5.369 ( -28.696 7.799 0.000) 29.737 6.700 ( 9.764 12.558 0.000) 15.907 6.865 ( -5.716 6.718 0.000) 8.821 7.282 ( 4.348 16.438 0.000) 17.003 7.371 ( -3.815 11.778 0.000) 12.381 8.317 ( 8.869 24.548 0.000) 26.101 8.380 ( 0.694 21.642 0.000) 21.653 9.056 ( 21.616 20.348 0.000) 29.687 9.398 ( -14.918 21.275 0.000) 25.984 10.833 ( 11.123 19.750 0.000) 22.667 11.010 ( -7.495 14.489 0.000) 16.313 11.563 ( -2.950 -12.774 0.000) 13.110 11.726 ( -17.183 -9.725 0.000) 19.744 12.321 ( 22.080 -9.583 0.000) 24.070 12.735 ( -20.661 -8.277 0.000) 22.257 13.570 ( 3.162 -21.864 0.000) 22.092 13.643 ( -4.530 -19.012 0.000) 19.544 14.481 ( 14.133 -9.057 0.000) 16.786 14.638 ( -3.401 -0.527 0.000) 3.442 15.490 ( -1.460 1.032 0.000) 1.788 15.527 ( -3.658 -2.998 0.000) 4.729 16.476 ( 21.141 7.221 0.000) 22.341 16.916 ( -23.139 3.440 0.000) 23.393 17.189 ( 13.932 -13.730 0.000) 19.561 17.359 ( -2.033 -13.294 0.000) 13.448 18.125 ( -1.509 5.247 0.000) 5.460 18.256 ( -13.499 5.425 0.000) 14.548 19.468 ( 17.128 -5.226 0.000) 17.908 19.744 ( -10.089 -1.799 0.000) 10.248 20.169 ( 20.799 2.367 0.000) 20.934 20.579 ( -18.416 -4.586 0.000) 18.979 20.935 ( 6.873 0.023 0.000) 6.873 21.115 ( -9.904 0.546 0.000) 9.919 22.038 ( 3.680 -29.534 0.000) 29.763 22.152 ( -7.592 -30.369 0.000) 31.303 22.684 ( 4.498 2.129 0.000) 4.976 22.710 ( 1.208 8.155 0.000) 8.244 23.251 ( 2.669 -14.167 0.000) 14.416 23.314 ( -3.734 -11.547 0.000) 12.136 23.565 ( 3.753 -0.887 0.000) 3.856 23.639 ( -3.930 -1.541 0.000) 4.221 25.996 ( 9.387 1.487 0.000) 9.504 26.236 ( -15.974 0.221 0.000) 15.976 26.544 ( 10.362 4.806 0.000) 11.422 26.661 ( -2.137 1.674 0.000) 2.714 28.097 ( 9.263 -0.598 0.000) 9.283 28.228 ( -1.833 -2.615 0.000) 3.194 28.595 ( -4.391 11.410 0.000) 12.225 28.661 ( -13.016 12.532 0.000) 18.068 29.658 ( 9.652 -7.306 0.000) 12.105 29.889 ( -14.982 -6.748 0.000) 16.432 30.664 ( 3.186 5.263 0.000) 6.152 30.683 ( 0.352 2.514 0.000) 2.539 31.542 ( 16.411 8.771 0.000) 18.608 31.675 ( 14.508 0.930 0.000) 14.538 31.875 ( -9.142 12.779 0.000) 15.713 32.068 ( -17.041 -0.089 0.000) 17.041 33.216 ( 5.541 21.076 0.000) 21.792 33.329 ( -6.468 18.892 0.000) 19.969 34.793 ( 8.598 18.617 0.000) 20.506 34.930 ( -5.902 16.153 0.000) 17.197 36.306 ( 26.511 -35.155 0.000) 44.030 36.738 ( -19.359 -45.843 0.000) 49.763 ======================= Grid point 20 (13/126) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.000 4.134 0.000) 4.134 1.964 ( 0.000 0.079 0.000) 0.079 2.092 ( 0.000 3.415 0.000) 3.415 2.350 ( 0.000 10.116 0.000) 10.116 2.511 ( 0.000 -5.695 0.000) 5.695 2.728 ( 0.000 1.366 0.000) 1.366 4.673 ( 0.000 26.642 0.000) 26.642 5.238 ( 0.000 26.672 0.000) 26.672 6.066 ( 0.000 -17.318 0.000) 17.318 6.356 ( 0.000 5.951 0.000) 5.951 6.522 ( 0.000 -8.177 0.000) 8.177 6.649 ( 0.000 15.674 0.000) 15.674 7.182 ( 0.000 -1.711 0.000) 1.711 8.045 ( 0.000 3.948 0.000) 3.948 8.368 ( 0.000 37.481 0.000) 37.481 8.896 ( 0.000 13.735 0.000) 13.735 9.116 ( 0.000 43.259 0.000) 43.259 10.115 ( 0.000 28.971 0.000) 28.971 10.975 ( 0.000 -19.172 0.000) 19.172 10.978 ( 0.000 13.116 0.000) 13.116 11.631 ( 0.000 8.049 0.000) 8.049 12.030 ( 0.000 8.582 0.000) 8.582 12.228 ( 0.000 -5.550 0.000) 5.550 12.994 ( 0.000 -17.140 0.000) 17.140 13.278 ( 0.000 -9.379 0.000) 9.379 13.304 ( 0.000 -27.888 0.000) 27.888 13.394 ( 0.000 -24.747 0.000) 24.747 14.971 ( 0.000 17.811 0.000) 17.811 15.474 ( 0.000 3.095 0.000) 3.095 15.577 ( 0.000 -1.452 0.000) 1.452 16.356 ( 0.000 4.877 0.000) 4.877 16.487 ( 0.000 -9.870 0.000) 9.870 17.136 ( 0.000 2.982 0.000) 2.982 17.689 ( 0.000 10.747 0.000) 10.747 18.191 ( 0.000 -18.608 0.000) 18.608 18.589 ( 0.000 -3.494 0.000) 3.494 18.897 ( 0.000 -7.959 0.000) 7.959 19.505 ( 0.000 11.641 0.000) 11.641 20.285 ( 0.000 -15.746 0.000) 15.746 20.587 ( 0.000 17.101 0.000) 17.101 20.830 ( 0.000 -21.229 0.000) 21.229 21.256 ( 0.000 -1.237 0.000) 1.237 21.594 ( 0.000 -18.700 0.000) 18.700 21.744 ( 0.000 -24.225 0.000) 24.225 22.341 ( 0.000 -2.920 0.000) 2.920 22.759 ( 0.000 -0.378 0.000) 0.378 23.078 ( 0.000 0.948 0.000) 0.948 23.366 ( 0.000 1.134 0.000) 1.134 23.479 ( 0.000 -1.769 0.000) 1.769 23.680 ( 0.000 -1.944 0.000) 1.944 25.987 ( 0.000 5.943 0.000) 5.943 26.362 ( 0.000 8.192 0.000) 8.192 26.549 ( 0.000 -9.058 0.000) 9.058 26.599 ( 0.000 -0.926 0.000) 0.926 27.712 ( 0.000 -7.004 0.000) 7.004 28.329 ( 0.000 5.591 0.000) 5.591 28.839 ( 0.000 5.783 0.000) 5.783 29.288 ( 0.000 0.060 0.000) 0.060 29.554 ( 0.000 -0.989 0.000) 0.989 30.403 ( 0.000 -0.203 0.000) 0.203 30.504 ( 0.000 5.730 0.000) 5.730 30.681 ( 0.000 -5.662 0.000) 5.662 30.853 ( 0.000 1.486 0.000) 1.486 31.601 ( 0.000 8.180 0.000) 8.180 32.324 ( 0.000 8.769 0.000) 8.769 32.368 ( 0.000 -5.248 0.000) 5.248 33.563 ( 0.000 20.474 0.000) 20.474 33.861 ( 0.000 24.119 0.000) 24.119 34.623 ( 0.000 -3.677 0.000) 3.677 35.105 ( 0.000 8.647 0.000) 8.647 35.762 ( 0.000 -0.131 0.000) 0.131 36.135 ( 0.000 -39.835 0.000) 39.835 ======================= Grid point 21 (14/126) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.907 3.636 0.000) 3.748 1.951 ( -1.343 0.398 0.000) 1.401 2.100 ( 1.058 3.595 0.000) 3.748 2.305 ( -4.375 7.641 0.000) 8.805 2.545 ( 3.463 -3.059 0.000) 4.621 2.725 ( -0.593 0.784 0.000) 0.983 4.784 ( 11.731 24.218 0.000) 26.909 5.218 ( -0.698 21.259 0.000) 21.270 5.825 ( -19.664 -4.029 0.000) 20.072 6.132 ( -25.548 5.462 0.000) 26.126 6.611 ( 7.618 2.504 0.000) 8.019 6.709 ( 11.621 -1.174 0.000) 11.680 7.413 ( 16.398 5.108 0.000) 17.176 7.897 ( -12.314 16.882 0.000) 20.896 8.465 ( 6.739 15.794 0.000) 17.172 8.852 ( -1.979 16.520 0.000) 16.638 9.358 ( 21.555 42.970 0.000) 48.074 10.138 ( 1.662 33.158 0.000) 33.200 10.973 ( 0.474 -12.493 0.000) 12.502 11.037 ( 5.866 10.781 0.000) 12.274 11.639 ( -4.333 0.555 0.000) 4.369 11.842 ( -8.762 5.665 0.000) 10.434 12.132 ( -16.419 -2.756 0.000) 16.649 12.761 ( -12.115 -17.788 0.000) 21.522 13.098 ( -5.686 -21.408 0.000) 22.150 13.308 ( -5.708 -25.635 0.000) 26.263 13.848 ( 30.917 -12.331 0.000) 33.286 14.934 ( -4.777 16.430 0.000) 17.110 15.460 ( -0.869 -2.856 0.000) 2.985 15.590 ( -0.803 2.417 0.000) 2.547 16.381 ( 5.754 6.245 0.000) 8.491 16.596 ( 10.773 -10.288 0.000) 14.897 17.172 ( 1.973 -0.017 0.000) 1.973 17.514 ( -16.848 8.405 0.000) 18.829 18.171 ( -1.360 -8.914 0.000) 9.017 18.515 ( -8.831 -4.039 0.000) 9.711 18.990 ( 11.713 -7.502 0.000) 13.910 19.660 ( 12.062 5.592 0.000) 13.295 20.103 ( -12.724 -10.723 0.000) 16.640 20.664 ( -1.226 1.944 0.000) 2.298 20.812 ( 3.216 -10.064 0.000) 10.565 21.250 ( -0.409 0.687 0.000) 0.800 21.545 ( -4.625 -16.844 0.000) 17.467 21.702 ( -4.665 -23.314 0.000) 23.777 22.448 ( 10.815 -4.830 0.000) 11.844 22.817 ( 5.744 1.311 0.000) 5.892 23.042 ( -4.001 -1.786 0.000) 4.381 23.307 ( -6.026 -0.361 0.000) 6.036 23.499 ( 2.106 -0.902 0.000) 2.291 23.664 ( -1.784 -1.514 0.000) 2.340 25.971 ( -0.163 4.825 0.000) 4.828 26.370 ( -6.837 -5.270 0.000) 8.632 26.537 ( 6.467 5.432 0.000) 8.446 26.659 ( 4.991 1.540 0.000) 5.223 27.818 ( 10.059 -7.091 0.000) 12.307 28.287 ( -4.165 3.552 0.000) 5.474 28.842 ( -0.017 7.872 0.000) 7.872 29.160 ( -14.075 4.949 0.000) 14.919 29.465 ( -3.639 -4.119 0.000) 5.496 30.107 ( -22.541 -5.224 0.000) 23.139 30.629 ( 8.721 2.893 0.000) 9.189 30.662 ( 1.744 -0.709 0.000) 1.883 31.196 ( 24.269 0.874 0.000) 24.284 31.649 ( 5.783 9.151 0.000) 10.825 32.252 ( -8.263 2.018 0.000) 8.506 32.307 ( -6.287 3.416 0.000) 7.155 33.576 ( 1.789 20.132 0.000) 20.211 33.829 ( -3.425 23.061 0.000) 23.314 34.752 ( 12.455 -4.745 0.000) 13.328 35.123 ( 1.447 7.221 0.000) 7.364 35.766 ( 0.698 -2.668 0.000) 2.758 36.077 ( -6.014 -37.754 0.000) 38.229 ======================= Grid point 22 (15/126) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 1.553 2.480 0.000) 2.926 1.920 ( -1.812 1.269 0.000) 2.212 2.137 ( 3.128 4.243 0.000) 5.271 2.214 ( -4.936 5.457 0.000) 7.358 2.623 ( 4.473 -1.046 0.000) 4.593 2.694 ( -2.925 -0.157 0.000) 2.930 5.084 ( 19.735 17.396 0.000) 26.308 5.284 ( 9.548 14.840 0.000) 17.646 5.451 ( -19.639 4.808 0.000) 20.219 5.627 ( -26.017 10.398 0.000) 28.018 6.787 ( 10.350 4.746 0.000) 11.386 6.883 ( 2.778 0.448 0.000) 2.814 7.613 ( 4.816 12.142 0.000) 13.062 7.694 ( -7.434 18.233 0.000) 19.690 8.614 ( 10.095 4.863 0.000) 11.205 8.786 ( -6.721 9.585 0.000) 11.707 9.791 ( 22.534 46.732 0.000) 51.881 10.096 ( -8.913 43.892 0.000) 44.788 11.044 ( 9.524 -11.416 0.000) 14.867 11.198 ( 8.823 15.808 0.000) 18.104 11.374 ( -13.612 -6.417 0.000) 15.049 11.599 ( -23.120 0.999 0.000) 23.142 12.097 ( 17.178 -9.267 0.000) 19.518 12.475 ( -20.435 -13.290 0.000) 24.377 13.092 ( 4.323 -26.349 0.000) 26.701 13.196 ( -6.169 -25.518 0.000) 26.254 14.376 ( 25.534 -1.992 0.000) 25.611 14.758 ( -15.171 9.120 0.000) 17.701 15.462 ( 1.568 -2.793 0.000) 3.203 15.524 ( -4.785 0.116 0.000) 4.787 16.621 ( 18.352 7.563 0.000) 19.849 16.806 ( 7.152 -7.499 0.000) 10.363 17.132 ( -7.529 -2.419 0.000) 7.908 17.173 ( -14.494 1.400 0.000) 14.562 18.188 ( 4.221 0.303 0.000) 4.232 18.326 ( -9.994 0.216 0.000) 9.996 19.280 ( 18.177 -10.129 0.000) 20.809 19.616 ( -16.394 -8.539 0.000) 18.485 20.150 ( 16.741 -4.229 0.000) 17.267 20.471 ( -15.790 -8.397 0.000) 17.884 20.982 ( 11.675 4.741 0.000) 12.601 21.184 ( -8.482 5.627 0.000) 10.178 21.501 ( 1.986 -19.764 0.000) 19.863 21.592 ( -6.451 -21.960 0.000) 22.888 22.683 ( 13.085 -3.587 0.000) 13.568 22.881 ( -6.081 5.949 0.000) 8.507 22.997 ( 5.997 -9.224 0.000) 11.002 23.161 ( -9.320 -2.701 0.000) 9.704 23.552 ( 3.458 -0.426 0.000) 3.484 23.617 ( -3.236 -0.775 0.000) 3.327 26.021 ( 5.840 1.168 0.000) 5.955 26.179 ( -10.774 -3.907 0.000) 11.460 26.695 ( 6.984 7.184 0.000) 10.019 26.739 ( 2.132 5.418 0.000) 5.822 28.019 ( 10.535 -5.616 0.000) 11.938 28.184 ( -7.166 -1.733 0.000) 7.373 28.833 ( -0.195 11.668 0.000) 11.670 28.906 ( -9.674 10.891 0.000) 14.567 29.496 ( 7.043 -8.472 0.000) 11.018 29.724 ( -17.430 -8.895 0.000) 19.569 30.708 ( 2.490 0.424 0.000) 2.526 30.725 ( 1.419 1.208 0.000) 1.863 31.623 ( 20.647 0.896 0.000) 20.666 31.803 ( 7.244 8.022 0.000) 10.809 32.052 ( -9.960 1.808 0.000) 10.123 32.136 ( -11.562 9.097 0.000) 14.712 33.639 ( 4.955 19.999 0.000) 20.603 33.742 ( -5.686 21.192 0.000) 21.942 34.995 ( 11.541 -2.721 0.000) 11.858 35.124 ( -2.504 3.290 0.000) 4.134 35.807 ( 4.486 -13.524 0.000) 14.248 35.935 ( -8.515 -29.443 0.000) 30.649 ======================= Grid point 25 (16/126) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 1.357 0.000) 1.357 1.961 ( 0.000 -0.228 0.000) 0.228 2.128 ( 0.000 0.642 0.000) 0.642 2.433 ( 0.000 -1.908 0.000) 1.908 2.506 ( 0.000 4.627 0.000) 4.627 2.723 ( 0.000 -1.038 0.000) 1.038 5.128 ( 0.000 16.479 0.000) 16.479 5.554 ( 0.000 5.426 0.000) 5.426 5.721 ( 0.000 -14.458 0.000) 14.458 6.423 ( 0.000 -1.620 0.000) 1.620 6.524 ( 0.000 8.783 0.000) 8.783 6.902 ( 0.000 6.093 0.000) 6.093 7.160 ( 0.000 -0.612 0.000) 0.612 8.110 ( 0.000 2.256 0.000) 2.256 8.915 ( 0.000 15.054 0.000) 15.054 9.014 ( 0.000 1.775 0.000) 1.775 9.797 ( 0.000 17.870 0.000) 17.870 10.184 ( 0.000 -12.104 0.000) 12.104 11.118 ( 0.000 2.233 0.000) 2.233 11.298 ( 0.000 39.538 0.000) 39.538 11.977 ( 0.000 14.372 0.000) 14.372 12.008 ( 0.000 -21.724 0.000) 21.724 12.078 ( 0.000 11.083 0.000) 11.083 12.740 ( 0.000 -35.016 0.000) 35.016 12.806 ( 0.000 -14.975 0.000) 14.975 12.864 ( 0.000 3.013 0.000) 3.013 13.114 ( 0.000 -8.752 0.000) 8.752 15.234 ( 0.000 6.247 0.000) 6.247 15.531 ( 0.000 2.166 0.000) 2.166 15.589 ( 0.000 1.192 0.000) 1.192 16.345 ( 0.000 -3.441 0.000) 3.441 16.443 ( 0.000 2.735 0.000) 2.735 17.315 ( 0.000 13.178 0.000) 13.178 17.777 ( 0.000 -19.526 0.000) 19.526 17.945 ( 0.000 13.102 0.000) 13.102 18.359 ( 0.000 -14.697 0.000) 14.697 18.853 ( 0.000 1.074 0.000) 1.074 19.796 ( 0.000 15.970 0.000) 15.970 20.022 ( 0.000 -7.953 0.000) 7.953 20.338 ( 0.000 -22.675 0.000) 22.675 20.888 ( 0.000 10.753 0.000) 10.753 21.260 ( 0.000 1.472 0.000) 1.472 21.331 ( 0.000 -8.314 0.000) 8.314 21.395 ( 0.000 -9.821 0.000) 9.821 22.295 ( 0.000 -1.264 0.000) 1.264 22.692 ( 0.000 -2.942 0.000) 2.942 23.172 ( 0.000 4.539 0.000) 4.539 23.397 ( 0.000 1.133 0.000) 1.133 23.433 ( 0.000 -2.116 0.000) 2.116 23.649 ( 0.000 -0.902 0.000) 0.902 26.140 ( 0.000 8.431 0.000) 8.431 26.354 ( 0.000 -9.455 0.000) 9.455 26.499 ( 0.000 5.112 0.000) 5.112 26.572 ( 0.000 -2.128 0.000) 2.128 27.600 ( 0.000 -3.199 0.000) 3.199 28.417 ( 0.000 2.496 0.000) 2.496 28.928 ( 0.000 2.427 0.000) 2.427 29.282 ( 0.000 -0.342 0.000) 0.342 29.544 ( 0.000 -0.152 0.000) 0.152 30.370 ( 0.000 -1.715 0.000) 1.715 30.573 ( 0.000 1.558 0.000) 1.558 30.624 ( 0.000 -0.754 0.000) 0.754 30.880 ( 0.000 0.760 0.000) 0.760 31.704 ( 0.000 2.284 0.000) 2.284 32.287 ( 0.000 -2.123 0.000) 2.123 32.449 ( 0.000 3.178 0.000) 3.178 33.902 ( 0.000 10.930 0.000) 10.930 34.430 ( 0.000 30.038 0.000) 30.038 34.498 ( 0.000 -5.897 0.000) 5.897 35.208 ( 0.000 -35.930 0.000) 35.930 35.245 ( 0.000 3.879 0.000) 3.879 35.914 ( 0.000 1.073 0.000) 1.073 ======================= Grid point 26 (17/126) ======================= q-point: ( 0.20 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( 0.279 1.209 0.000) 1.241 1.953 ( -0.814 -0.078 0.000) 0.818 2.140 ( 1.445 0.755 0.000) 1.630 2.375 ( -5.061 0.341 0.000) 5.072 2.550 ( 3.695 2.017 0.000) 4.210 2.720 ( -0.645 -0.772 0.000) 1.006 5.179 ( 5.508 13.623 0.000) 14.695 5.397 ( -8.070 -1.083 0.000) 8.142 5.783 ( -2.489 -2.557 0.000) 3.568 6.123 ( -22.589 -0.179 0.000) 22.590 6.723 ( 13.299 5.525 0.000) 14.401 6.790 ( 0.704 4.053 0.000) 4.114 7.511 ( 24.136 3.435 0.000) 24.379 8.065 ( -5.006 2.540 0.000) 5.613 8.771 ( -11.486 11.576 0.000) 16.308 8.980 ( -5.012 -0.311 0.000) 5.021 10.062 ( 25.811 19.256 0.000) 32.202 10.311 ( 12.720 -8.791 0.000) 15.462 11.106 ( -1.599 6.255 0.000) 6.456 11.344 ( 4.622 30.979 0.000) 31.322 11.834 ( -20.276 9.554 0.000) 22.414 11.884 ( -8.702 -2.858 0.000) 9.159 12.103 ( -8.279 11.066 0.000) 13.820 12.348 ( -1.086 -23.512 0.000) 23.537 12.681 ( -8.786 -32.734 0.000) 33.893 12.840 ( -17.597 -3.135 0.000) 17.874 13.640 ( 39.996 -6.853 0.000) 40.579 15.211 ( -5.727 8.749 0.000) 10.457 15.440 ( -5.300 1.261 0.000) 5.448 15.570 ( -4.430 -4.592 0.000) 6.381 16.472 ( 12.934 1.673 0.000) 13.042 16.518 ( 9.454 1.521 0.000) 9.576 17.281 ( -4.912 10.418 0.000) 11.518 17.569 ( -16.934 -7.484 0.000) 18.514 18.052 ( 6.466 2.870 0.000) 7.074 18.324 ( -3.619 -12.343 0.000) 12.862 18.929 ( 8.472 0.196 0.000) 8.474 19.808 ( -10.427 3.556 0.000) 11.017 19.921 ( 2.458 1.396 0.000) 2.827 20.320 ( -2.409 -20.057 0.000) 20.201 20.932 ( 4.709 7.380 0.000) 8.755 21.259 ( 0.560 -0.066 0.000) 0.564 21.346 ( -0.264 -4.633 0.000) 4.641 21.379 ( -2.496 -7.925 0.000) 8.309 22.367 ( 8.314 -2.370 0.000) 8.645 22.750 ( 5.623 -3.315 0.000) 6.527 23.109 ( -6.415 3.657 0.000) 7.384 23.312 ( -7.018 0.164 0.000) 7.020 23.483 ( 3.332 -0.515 0.000) 3.372 23.641 ( -1.082 -0.662 0.000) 1.268 26.090 ( -3.827 6.621 0.000) 7.647 26.233 ( -7.955 -7.187 0.000) 10.721 26.619 ( 8.605 1.805 0.000) 8.792 26.702 ( 11.088 1.948 0.000) 11.258 27.697 ( 9.771 -3.661 0.000) 10.435 28.342 ( -7.600 1.511 0.000) 7.749 28.975 ( 4.528 4.168 0.000) 6.154 29.230 ( -5.866 1.707 0.000) 6.109 29.395 ( -11.077 -2.109 0.000) 11.276 30.010 ( -26.646 -3.086 0.000) 26.824 30.650 ( 2.779 -0.283 0.000) 2.794 30.666 ( 6.644 0.802 0.000) 6.693 31.215 ( 24.283 0.609 0.000) 24.290 31.777 ( 7.783 3.222 0.000) 8.423 32.214 ( -7.508 -1.536 0.000) 7.663 32.414 ( -4.295 3.115 0.000) 5.305 33.916 ( 1.969 11.151 0.000) 11.323 34.333 ( -8.264 22.736 0.000) 24.192 34.604 ( 8.932 -4.645 0.000) 10.068 35.090 ( -6.591 -19.882 0.000) 20.946 35.399 ( 9.903 -7.631 0.000) 12.503 35.871 ( -4.621 0.888 0.000) 4.706 ======================= Grid point 27 (18/126) ======================= q-point: ( 0.40 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.618 0.823 0.000) 1.029 1.936 ( -0.922 0.329 0.000) 0.979 2.187 ( 3.703 0.967 0.000) 3.827 2.273 ( -5.467 1.002 0.000) 5.558 2.624 ( 4.083 0.598 0.000) 4.127 2.689 ( -2.720 -0.242 0.000) 2.731 5.319 ( 8.352 5.335 0.000) 9.910 5.352 ( 2.651 -0.552 0.000) 2.708 5.637 ( -8.686 6.037 0.000) 10.578 5.718 ( -17.970 1.273 0.000) 18.015 6.917 ( 8.203 4.233 0.000) 9.230 6.939 ( 7.178 4.238 0.000) 8.336 7.842 ( 9.327 8.678 0.000) 12.739 7.953 ( -5.877 5.382 0.000) 7.969 8.656 ( 2.900 1.526 0.000) 3.278 8.826 ( -11.087 -2.147 0.000) 11.293 10.578 ( 23.945 21.832 0.000) 32.404 10.609 ( 17.566 -1.545 0.000) 17.634 11.039 ( -5.119 12.968 0.000) 13.942 11.236 ( -26.011 -2.785 0.000) 26.160 11.540 ( 8.535 17.508 0.000) 19.478 11.746 ( -9.172 12.835 0.000) 15.776 12.051 ( 3.663 7.369 0.000) 8.229 12.287 ( -20.729 -5.969 0.000) 21.572 12.496 ( 6.536 -29.444 0.000) 30.161 12.636 ( -7.632 -25.819 0.000) 26.923 14.343 ( 35.473 -1.376 0.000) 35.500 14.914 ( -25.351 4.874 0.000) 25.816 15.414 ( 1.504 -1.490 0.000) 2.117 15.471 ( -4.700 -3.717 0.000) 5.992 16.773 ( 15.892 2.549 0.000) 16.095 16.781 ( 18.540 5.539 0.000) 19.350 17.112 ( -12.093 3.682 0.000) 12.641 17.216 ( -20.190 -2.060 0.000) 20.295 18.154 ( 4.982 -1.129 0.000) 5.108 18.243 ( -4.720 -6.680 0.000) 8.179 19.158 ( 15.842 -1.695 0.000) 15.932 19.487 ( -19.114 -3.069 0.000) 19.359 20.081 ( 9.963 -0.145 0.000) 9.964 20.238 ( -6.611 -11.371 0.000) 13.153 21.063 ( 9.410 1.509 0.000) 9.530 21.247 ( -8.039 -5.025 0.000) 9.480 21.294 ( 0.309 1.828 0.000) 1.853 21.327 ( -2.027 -3.380 0.000) 3.942 22.589 ( 14.264 -3.490 0.000) 14.684 22.807 ( -5.234 -4.503 0.000) 6.905 23.017 ( 2.046 2.853 0.000) 3.511 23.156 ( -9.370 0.622 0.000) 9.390 23.547 ( 3.542 -0.092 0.000) 3.543 23.606 ( -2.648 -0.255 0.000) 2.660 26.051 ( 0.299 1.920 0.000) 1.943 26.106 ( -5.362 -3.075 0.000) 6.181 26.788 ( 8.123 2.271 0.000) 8.434 26.849 ( 2.798 3.594 0.000) 4.555 27.919 ( 13.264 -3.151 0.000) 13.633 28.157 ( -12.016 -0.765 0.000) 12.040 29.050 ( 2.054 8.173 0.000) 8.427 29.096 ( -5.469 7.449 0.000) 9.241 29.318 ( 4.580 -8.433 0.000) 9.597 29.560 ( -20.311 -5.792 0.000) 21.121 30.708 ( 2.981 -0.110 0.000) 2.983 30.736 ( 0.669 0.149 0.000) 0.686 31.633 ( 20.120 0.258 0.000) 20.122 31.903 ( -3.549 1.859 0.000) 4.007 32.092 ( 2.705 1.806 0.000) 3.252 32.276 ( -10.523 3.679 0.000) 11.148 33.994 ( 6.817 12.518 0.000) 14.254 34.156 ( -10.065 16.656 0.000) 19.461 34.790 ( 10.367 -10.288 0.000) 14.606 34.961 ( -7.955 -15.598 0.000) 17.509 35.583 ( 9.829 -3.051 0.000) 10.292 35.751 ( -8.097 -0.147 0.000) 8.099 ======================= Grid point 55 (19/126) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 0.000 34.463) 34.463 0.879 ( 0.000 0.000 41.214) 41.214 1.425 ( 0.000 0.000 56.460) 56.460 1.490 ( 0.000 0.000 6.439) 6.439 1.950 ( 0.000 0.000 4.429) 4.429 2.572 ( 0.000 0.000 20.393) 20.393 3.059 ( 0.000 0.000 -6.813) 6.813 3.680 ( 0.000 0.000 9.641) 9.641 4.632 ( 0.000 0.000 29.307) 29.307 4.949 ( 0.000 0.000 15.913) 15.913 5.497 ( 0.000 0.000 34.863) 34.863 7.095 ( 0.000 0.000 -8.724) 8.724 7.277 ( 0.000 0.000 -5.243) 5.243 7.604 ( 0.000 0.000 -4.943) 4.943 7.755 ( 0.000 0.000 -21.079) 21.079 7.926 ( 0.000 0.000 -5.283) 5.283 8.445 ( 0.000 0.000 -3.661) 3.661 9.176 ( 0.000 0.000 39.006) 39.006 9.361 ( 0.000 0.000 0.203) 0.203 10.286 ( 0.000 0.000 2.254) 2.254 11.839 ( 0.000 0.000 -9.536) 9.536 12.305 ( 0.000 0.000 -3.702) 3.702 12.662 ( 0.000 0.000 2.747) 2.747 12.675 ( 0.000 0.000 0.159) 0.159 14.067 ( 0.000 0.000 -8.059) 8.059 14.232 ( 0.000 0.000 -11.255) 11.255 14.582 ( 0.000 0.000 -5.225) 5.225 14.699 ( 0.000 0.000 -2.144) 2.144 15.597 ( 0.000 0.000 18.682) 18.682 15.808 ( 0.000 0.000 -5.650) 5.650 16.546 ( 0.000 0.000 2.201) 2.201 17.466 ( 0.000 0.000 0.930) 0.930 17.587 ( 0.000 0.000 6.927) 6.927 17.800 ( 0.000 0.000 5.701) 5.701 18.259 ( 0.000 0.000 -1.677) 1.677 18.524 ( 0.000 0.000 -19.036) 19.036 19.050 ( 0.000 0.000 5.350) 5.350 19.145 ( 0.000 0.000 -12.599) 12.599 19.212 ( 0.000 0.000 14.297) 14.297 20.879 ( 0.000 0.000 -9.217) 9.217 20.990 ( 0.000 0.000 -7.174) 7.174 21.174 ( 0.000 0.000 -9.757) 9.757 22.409 ( 0.000 0.000 8.406) 8.406 22.933 ( 0.000 0.000 -25.099) 25.099 23.104 ( 0.000 0.000 -22.806) 22.806 23.291 ( 0.000 0.000 -9.114) 9.114 23.570 ( 0.000 0.000 -0.787) 0.787 23.763 ( 0.000 0.000 11.958) 11.958 24.015 ( 0.000 0.000 9.279) 9.279 25.146 ( 0.000 0.000 -8.151) 8.151 25.703 ( 0.000 0.000 -15.934) 15.934 25.994 ( 0.000 0.000 -25.524) 25.524 26.342 ( 0.000 0.000 13.168) 13.168 27.282 ( 0.000 0.000 4.475) 4.475 27.550 ( 0.000 0.000 11.348) 11.348 27.595 ( 0.000 0.000 -12.300) 12.300 28.504 ( 0.000 0.000 27.145) 27.145 28.793 ( 0.000 0.000 8.658) 8.658 29.867 ( 0.000 0.000 5.166) 5.166 29.965 ( 0.000 0.000 3.720) 3.720 30.069 ( 0.000 0.000 2.469) 2.469 30.592 ( 0.000 0.000 1.581) 1.581 30.923 ( 0.000 0.000 -6.165) 6.165 31.781 ( 0.000 0.000 -5.044) 5.044 31.991 ( 0.000 0.000 8.194) 8.194 32.035 ( 0.000 0.000 17.400) 17.400 32.128 ( 0.000 0.000 -0.003) 0.003 32.404 ( 0.000 0.000 12.326) 12.326 33.751 ( 0.000 0.000 17.584) 17.584 35.099 ( 0.000 0.000 0.577) 0.577 36.043 ( 0.000 0.000 -1.923) 1.923 38.897 ( 0.000 0.000 -24.210) 24.210 ======================= Grid point 56 (20/126) ======================= q-point: ( 0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 18.714 0.000 18.924) 26.615 1.124 ( 19.525 0.000 23.823) 30.802 1.479 ( 1.068 0.000 4.815) 4.932 1.766 ( 33.088 0.000 39.291) 51.367 1.925 ( -3.077 0.000 4.681) 5.602 2.735 ( 18.096 0.000 20.979) 27.705 3.014 ( -4.872 0.000 -4.857) 6.879 3.638 ( 5.191 0.000 29.623) 30.075 4.690 ( -24.771 0.000 15.296) 29.113 4.954 ( 24.038 0.000 12.290) 26.998 5.216 ( -27.494 0.000 33.064) 43.002 6.974 ( -20.474 0.000 -14.353) 25.004 7.237 ( -3.216 0.000 -2.562) 4.112 7.300 ( -15.439 0.000 1.256) 15.490 7.963 ( 10.694 0.000 -9.729) 14.457 7.997 ( 5.760 0.000 -4.938) 7.587 8.586 ( 13.745 0.000 -2.654) 13.999 9.010 ( -4.757 0.000 26.542) 26.965 9.641 ( 16.893 0.000 2.680) 17.104 10.207 ( -6.324 0.000 4.351) 7.676 11.828 ( -0.807 0.000 -7.775) 7.817 12.264 ( -6.065 0.000 -4.597) 7.610 12.515 ( -11.806 0.000 2.356) 12.038 12.582 ( -7.947 0.000 -0.883) 7.996 14.254 ( 16.768 0.000 -7.578) 18.401 14.479 ( 22.687 0.000 -10.850) 25.148 14.609 ( 3.459 0.000 -5.447) 6.453 14.664 ( -2.148 0.000 -2.231) 3.097 15.713 ( -5.285 0.000 -0.134) 5.287 15.790 ( 15.712 0.000 12.304) 19.956 16.391 ( -14.417 0.000 -0.659) 14.432 17.477 ( -9.507 0.000 5.977) 11.230 17.596 ( 0.438 0.000 6.971) 6.985 17.639 ( -28.686 0.000 -4.178) 28.989 17.877 ( 8.476 0.000 6.124) 10.457 18.715 ( -10.514 0.000 4.498) 11.436 19.044 ( 4.714 0.000 -3.240) 5.720 19.150 ( 0.475 0.000 -11.978) 11.987 19.576 ( 32.778 0.000 -4.511) 33.087 20.859 ( -12.346 0.000 -10.700) 16.338 20.909 ( 4.037 0.000 -8.336) 9.262 21.194 ( 0.206 0.000 -6.496) 6.499 22.397 ( -0.962 0.000 7.843) 7.902 22.753 ( -18.999 0.000 -0.474) 19.005 23.103 ( -0.151 0.000 -21.949) 21.949 23.149 ( -6.313 0.000 -7.242) 9.608 23.591 ( 2.247 0.000 0.428) 2.288 23.789 ( 1.005 0.000 11.039) 11.085 24.010 ( -0.596 0.000 9.260) 9.280 24.234 ( -33.610 0.000 30.866) 45.633 25.791 ( 3.465 0.000 -18.042) 18.371 25.977 ( -1.824 0.000 -25.003) 25.069 26.565 ( 10.742 0.000 -7.870) 13.317 27.319 ( -15.501 0.000 0.312) 15.505 27.353 ( 6.441 0.000 5.504) 8.472 27.700 ( 2.025 0.000 -0.711) 2.146 28.514 ( 1.699 0.000 24.594) 24.653 28.778 ( -2.925 0.000 9.200) 9.654 29.920 ( 3.598 0.000 4.210) 5.538 30.043 ( 5.612 0.000 1.994) 5.955 30.062 ( -0.861 0.000 2.582) 2.722 30.489 ( -8.754 0.000 2.401) 9.077 31.072 ( 13.341 0.000 -6.635) 14.900 31.735 ( -4.647 0.000 -0.374) 4.662 32.038 ( 0.368 0.000 16.399) 16.403 32.098 ( 3.016 0.000 -0.178) 3.021 32.164 ( 3.599 0.000 1.077) 3.756 32.385 ( -1.902 0.000 8.216) 8.434 33.786 ( 3.684 0.000 18.358) 18.724 34.312 ( -25.351 0.000 32.875) 41.514 37.669 ( 71.385 0.000 -73.162) 102.218 38.860 ( -4.164 0.000 -25.997) 26.328 ======================= Grid point 57 (21/126) ======================= q-point: ( 0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 9.189 0.000 5.772) 10.851 1.370 ( 2.116 0.000 2.920) 3.606 1.595 ( 13.518 0.000 9.601) 16.581 1.818 ( -8.945 0.000 5.640) 10.575 2.397 ( 30.326 0.000 13.272) 33.103 2.814 ( -14.911 0.000 -0.287) 14.913 3.269 ( 34.588 0.000 21.842) 40.907 3.810 ( -4.489 0.000 27.860) 28.219 4.211 ( -8.142 0.000 22.025) 23.482 4.620 ( -33.640 0.000 30.989) 45.738 5.514 ( 37.485 0.000 8.522) 38.441 6.298 ( -44.756 0.000 -1.640) 44.786 7.184 ( -1.670 0.000 2.779) 3.242 7.187 ( -1.763 0.000 0.292) 1.787 8.085 ( 2.886 0.000 -3.400) 4.460 8.086 ( 2.986 0.000 -3.695) 4.751 8.858 ( 13.009 0.000 1.297) 13.073 8.992 ( -1.438 0.000 11.640) 11.729 9.897 ( 11.279 0.000 -0.014) 11.279 10.075 ( -8.230 0.000 2.219) 8.524 11.849 ( 4.783 0.000 -5.311) 7.147 12.037 ( -14.681 0.000 -4.243) 15.282 12.410 ( -0.289 0.000 1.047) 1.086 12.455 ( -4.918 0.000 -0.475) 4.941 14.499 ( 7.018 0.000 -5.753) 9.074 14.581 ( -3.360 0.000 -4.564) 5.668 14.771 ( 14.016 0.000 -7.804) 16.042 14.895 ( 9.016 0.000 -10.655) 13.958 15.660 ( 8.977 0.000 -3.739) 9.724 16.038 ( -23.606 0.000 -5.625) 24.267 16.220 ( 28.477 0.000 14.182) 31.813 16.835 ( -38.018 0.000 9.347) 39.150 17.576 ( 1.310 0.000 3.794) 4.014 17.594 ( -0.617 0.000 6.202) 6.233 18.100 ( 15.121 0.000 8.065) 17.137 18.412 ( -18.135 0.000 10.387) 20.899 19.125 ( 3.015 0.000 -7.255) 7.857 19.154 ( -0.366 0.000 -10.137) 10.144 20.144 ( 27.002 0.000 -12.776) 29.872 20.567 ( -19.256 0.000 -13.319) 23.413 21.025 ( 7.606 0.000 -6.440) 9.966 21.150 ( -5.037 0.000 -4.921) 7.042 22.393 ( 1.219 0.000 7.952) 8.045 22.476 ( -8.948 0.000 10.654) 13.913 23.100 ( -0.101 0.000 -19.873) 19.873 23.103 ( -0.613 0.000 -16.533) 16.545 23.651 ( 4.262 0.000 4.121) 5.928 23.744 ( -5.286 0.000 10.203) 11.492 23.988 ( -1.828 0.000 10.946) 11.097 23.994 ( -1.040 0.000 9.206) 9.265 25.859 ( 3.933 0.000 -20.354) 20.731 25.928 ( -3.338 0.000 -23.262) 23.500 26.766 ( 12.294 0.000 -5.878) 13.627 27.026 ( -15.628 0.000 -2.199) 15.782 27.500 ( 8.904 0.000 4.974) 10.199 27.652 ( -6.543 0.000 2.667) 7.066 28.582 ( 5.408 0.000 18.653) 19.421 28.692 ( -5.878 0.000 13.203) 14.452 29.987 ( 3.286 0.000 3.108) 4.524 30.036 ( -2.031 0.000 2.720) 3.395 30.158 ( 7.415 0.000 3.497) 8.198 30.317 ( -9.420 0.000 3.390) 10.012 31.347 ( 15.212 0.000 -6.381) 16.496 31.594 ( -10.867 0.000 -3.723) 11.487 32.053 ( 1.313 0.000 14.167) 14.228 32.087 ( -2.215 0.000 8.828) 9.101 32.246 ( 4.967 0.000 2.530) 5.574 32.332 ( -3.961 0.000 4.070) 5.679 33.881 ( 6.571 0.000 20.739) 21.755 34.029 ( -9.942 0.000 25.277) 27.162 38.451 ( 23.400 0.000 -48.514) 53.863 38.735 ( -9.908 0.000 -32.583) 34.056 ======================= Grid point 60 (22/126) ======================= q-point: ( 0.00 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 20.301 16.040) 25.873 1.196 ( 0.000 24.900 25.567) 35.689 1.534 ( 0.000 9.255 7.095) 11.661 1.821 ( 0.000 30.560 26.926) 40.729 2.001 ( 0.000 3.071 6.768) 7.433 2.978 ( 0.000 -7.066 -6.143) 9.363 3.239 ( 0.000 38.440 12.183) 40.324 3.775 ( 0.000 9.619 10.491) 14.233 4.720 ( 0.000 20.192 30.352) 36.455 5.255 ( 0.000 24.937 14.653) 28.923 5.701 ( 0.000 21.728 33.141) 39.629 7.049 ( 0.000 -6.352 -15.069) 16.353 7.227 ( 0.000 -10.502 -9.418) 14.106 7.497 ( 0.000 -7.610 -6.261) 9.854 7.509 ( 0.000 -6.222 -3.475) 7.126 8.030 ( 0.000 7.999 -2.049) 8.257 8.602 ( 0.000 -2.309 13.445) 13.641 9.333 ( 0.000 22.747 11.926) 25.683 9.398 ( 0.000 3.500 0.884) 3.610 10.441 ( 0.000 15.026 5.955) 16.163 11.824 ( 0.000 -1.735 -8.264) 8.444 12.236 ( 0.000 -5.982 -4.487) 7.478 12.659 ( 0.000 -0.930 2.086) 2.283 12.797 ( 0.000 10.526 1.862) 10.689 14.014 ( 0.000 -5.035 -8.110) 9.546 14.127 ( 0.000 -8.341 -11.923) 14.551 14.555 ( 0.000 -3.787 -4.851) 6.154 14.617 ( 0.000 -8.919 -1.517) 9.047 15.577 ( 0.000 -1.123 18.730) 18.764 15.826 ( 0.000 -0.976 -9.004) 9.056 16.500 ( 0.000 -3.999 4.322) 5.888 17.270 ( 0.000 -17.416 -3.341) 17.734 17.558 ( 0.000 -2.511 6.326) 6.806 17.616 ( 0.000 -12.185 -1.626) 12.293 18.404 ( 0.000 9.041 1.791) 9.217 18.560 ( 0.000 1.866 -14.610) 14.728 19.002 ( 0.000 -0.481 7.872) 7.887 19.145 ( 0.000 2.592 7.279) 7.727 19.385 ( 0.000 13.467 -6.938) 15.149 20.847 ( 0.000 -3.024 -9.516) 9.985 21.176 ( 0.000 -0.034 -8.721) 8.721 21.200 ( 0.000 11.455 -12.284) 16.796 22.378 ( 0.000 -2.569 1.716) 3.090 22.602 ( 0.000 -24.166 6.539) 25.035 22.904 ( 0.000 -4.045 -19.817) 20.226 23.316 ( 0.000 -5.501 -17.343) 18.194 23.482 ( 0.000 -6.197 0.605) 6.227 23.779 ( 0.000 -9.664 5.256) 11.001 23.787 ( 0.000 -0.083 13.360) 13.360 24.679 ( 0.000 -36.376 23.689) 43.409 25.721 ( 0.000 2.204 -15.980) 16.131 25.850 ( 0.000 1.944 -10.135) 10.320 26.517 ( 0.000 -0.260 -25.851) 25.853 26.975 ( 0.000 -17.561 3.153) 17.842 27.779 ( 0.000 10.483 7.462) 12.868 28.031 ( 0.000 14.872 -14.066) 20.471 28.783 ( 0.000 22.498 5.368) 23.130 28.800 ( 0.000 1.224 11.786) 11.850 29.798 ( 0.000 -5.414 3.722) 6.571 29.914 ( 0.000 -0.501 2.819) 2.864 30.128 ( 0.000 4.808 1.707) 5.102 30.645 ( 0.000 11.126 15.684) 19.229 31.005 ( 0.000 5.640 -4.041) 6.938 31.388 ( 0.000 -11.256 21.872) 24.598 31.937 ( 0.000 -1.920 8.884) 9.089 32.284 ( 0.000 13.261 0.604) 13.275 32.352 ( 0.000 6.060 10.345) 11.989 32.979 ( 0.000 29.866 -31.708) 43.559 33.900 ( 0.000 13.383 14.538) 19.760 35.091 ( 0.000 -0.733 1.304) 1.496 35.661 ( 0.000 -18.710 16.597) 25.010 38.655 ( 0.000 -24.793 -21.774) 32.997 ======================= Grid point 61 (23/126) ======================= q-point: ( 0.20 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 11.964 16.048 10.146) 22.441 1.363 ( 14.060 17.850 15.601) 27.563 1.556 ( 1.327 8.142 3.134) 8.825 1.951 ( -2.278 2.482 7.187) 7.938 2.056 ( 19.801 21.948 21.556) 36.585 2.942 ( -4.485 -5.812 -5.215) 9.005 3.344 ( 13.096 41.385 14.197) 45.671 3.771 ( 6.197 13.297 25.391) 29.324 4.976 ( 17.558 15.223 18.409) 29.646 5.019 ( -19.755 24.051 17.258) 35.589 5.390 ( -28.158 17.387 28.794) 43.866 6.895 ( -22.142 -7.570 -13.108) 26.821 7.128 ( -4.142 -2.489 -1.977) 5.221 7.402 ( -2.956 1.237 3.121) 4.473 7.780 ( 16.595 -8.454 -7.014) 19.901 8.072 ( 4.406 4.601 -4.587) 7.850 8.733 ( 11.484 -0.366 11.267) 16.092 9.022 ( -12.787 10.230 10.371) 19.383 9.748 ( 18.479 11.876 0.644) 21.976 10.391 ( -4.858 16.116 4.537) 17.433 11.819 ( -0.966 -1.009 -7.293) 7.425 12.244 ( 0.752 -4.175 -4.372) 6.092 12.408 ( -18.635 -3.484 0.781) 18.974 12.758 ( -7.349 11.271 1.677) 13.559 14.154 ( 12.259 -9.595 -8.521) 17.747 14.272 ( 10.309 -13.914 -10.412) 20.206 14.598 ( 4.491 -5.621 -1.323) 7.315 14.679 ( 10.342 -0.318 -4.871) 11.436 15.695 ( -2.983 -2.849 2.514) 4.831 15.761 ( 8.719 -2.047 7.271) 11.536 16.352 ( -13.821 -3.807 2.284) 14.516 17.177 ( -14.021 -14.077 -1.344) 19.914 17.537 ( -1.174 -4.438 1.469) 4.820 17.691 ( 10.520 -8.163 5.553) 14.427 18.038 ( -17.581 13.044 0.643) 21.901 18.641 ( -11.376 -4.531 3.796) 12.820 19.038 ( 7.238 2.773 -4.404) 8.915 19.369 ( 0.900 15.258 -7.713) 17.120 19.537 ( 30.815 -1.612 -1.814) 30.910 20.844 ( -2.225 -2.508 -9.658) 10.223 20.998 ( -10.303 4.667 -10.516) 15.444 21.244 ( -0.670 4.115 -5.033) 6.535 22.363 ( -1.672 -3.422 3.054) 4.882 22.503 ( -7.807 -14.852 6.183) 17.882 22.932 ( 2.238 -5.620 -19.829) 20.731 23.192 ( -8.326 -6.713 -14.502) 18.019 23.545 ( 4.003 -4.109 -0.761) 5.787 23.743 ( -2.318 -6.022 7.148) 9.630 23.845 ( 4.397 -3.025 10.957) 12.188 24.386 ( -20.579 -9.896 24.843) 33.744 25.747 ( 1.668 -3.383 -18.916) 19.289 25.881 ( 1.413 1.529 -14.485) 14.634 26.485 ( 0.377 -6.005 -17.467) 18.475 26.991 ( 0.196 -17.442 2.683) 17.648 27.689 ( -7.770 17.066 0.518) 18.758 27.974 ( -2.566 13.597 -7.022) 15.517 28.602 ( -8.191 9.544 20.652) 24.180 28.783 ( -4.973 1.723 11.489) 12.637 29.842 ( 6.144 -6.053 4.207) 9.596 30.040 ( 5.383 1.557 0.638) 5.640 30.128 ( 0.635 5.546 0.320) 5.592 30.624 ( -3.617 12.310 9.650) 16.054 31.146 ( 11.835 5.518 -5.799) 14.288 31.453 ( 5.123 -12.465 13.973) 19.413 31.950 ( 1.397 -2.717 11.833) 12.221 32.286 ( -2.997 8.753 6.500) 11.307 32.335 ( 1.167 10.602 4.718) 11.663 32.784 ( -14.684 25.682 -15.266) 33.290 33.941 ( 4.233 14.071 14.993) 20.993 34.462 ( -22.312 13.994 24.556) 36.009 36.974 ( 71.976 -47.772 -34.181) 92.904 38.599 ( -6.134 -26.205 -22.639) 35.169 ======================= Grid point 62 (24/126) ======================= q-point: ( 0.40 0.09 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 6.583 10.628 0.419) 12.509 1.530 ( 0.968 11.691 2.709) 12.040 1.657 ( 11.714 6.007 8.382) 15.606 1.847 ( -8.054 2.635 6.146) 10.469 2.476 ( 21.474 6.641 8.518) 24.037 2.794 ( -12.006 -1.952 -1.102) 12.214 3.750 ( 29.082 38.818 16.176) 51.130 4.040 ( 16.622 17.193 27.806) 36.675 4.486 ( -25.647 26.728 16.950) 40.737 4.729 ( -33.672 10.713 29.301) 45.904 5.566 ( 34.990 10.102 12.473) 38.496 6.295 ( -38.728 3.047 2.896) 38.956 7.087 ( -1.021 -1.814 -2.890) 3.562 7.361 ( -1.346 6.128 6.992) 9.394 8.028 ( 9.401 -3.204 -4.210) 10.787 8.128 ( -0.373 2.475 -4.941) 5.539 8.904 ( 3.057 -2.456 8.495) 9.357 8.929 ( 2.543 3.518 5.896) 7.322 10.039 ( 12.960 13.265 -0.593) 18.555 10.269 ( -8.375 16.568 1.923) 18.664 11.812 ( 1.479 -2.750 -5.986) 6.751 12.050 ( -13.260 -2.399 -0.955) 13.509 12.341 ( 4.844 0.719 -3.365) 5.942 12.593 ( -8.023 7.759 2.299) 11.396 14.315 ( 3.815 -16.582 -7.658) 18.659 14.373 ( 1.497 -15.522 -8.128) 17.585 14.777 ( 13.527 -2.053 -4.413) 14.375 14.922 ( 6.659 -1.259 -6.409) 9.328 15.575 ( 0.583 -7.111 -3.940) 8.150 15.916 ( -10.436 -10.316 6.097) 15.890 16.243 ( 15.603 3.415 3.831) 16.426 16.773 ( -25.242 -3.476 5.856) 26.145 17.572 ( 3.142 4.256 -0.313) 5.299 17.772 ( -5.862 2.596 3.768) 7.436 17.995 ( 15.727 -6.014 9.272) 19.222 18.335 ( -18.749 -4.365 9.705) 21.558 19.157 ( 4.554 6.093 -10.829) 13.234 19.341 ( -2.224 12.038 -5.521) 13.429 20.109 ( 27.551 -2.078 -10.475) 29.548 20.596 ( -19.967 2.221 -12.539) 23.682 21.005 ( 5.843 -3.280 -4.998) 8.359 21.182 ( -5.097 2.684 -1.381) 5.924 22.319 ( -2.107 -7.153 7.522) 10.591 22.410 ( -1.958 -2.618 -1.830) 3.747 22.968 ( 1.347 -5.237 -20.810) 21.501 23.084 ( -3.162 -9.848 -13.639) 17.117 23.609 ( 2.771 -3.946 0.143) 4.823 23.696 ( -2.436 -3.843 7.347) 8.642 23.938 ( 5.405 -1.988 11.670) 13.014 24.108 ( -9.752 -1.251 19.014) 21.406 25.774 ( 1.066 -4.629 -20.142) 20.694 25.877 ( -0.917 -1.825 -20.061) 20.164 26.555 ( 4.749 -10.223 -9.581) 14.794 26.950 ( -3.572 -13.144 2.144) 13.788 27.610 ( -0.595 15.783 -5.655) 16.776 27.921 ( -2.951 14.853 1.614) 15.229 28.550 ( 1.790 -2.216 18.353) 18.573 28.669 ( -6.119 -0.095 14.925) 16.131 29.967 ( 5.678 -2.024 4.059) 7.267 30.063 ( -1.468 -0.393 7.112) 7.273 30.171 ( 2.862 6.810 -4.631) 8.719 30.527 ( -4.880 14.936 9.056) 18.136 31.353 ( 8.597 -1.361 -5.273) 10.177 31.509 ( 0.379 -2.820 0.239) 2.855 31.989 ( 2.702 -2.702 13.692) 14.215 32.168 ( -6.867 4.330 14.787) 16.869 32.407 ( 4.822 13.651 0.322) 14.481 32.571 ( -7.871 18.934 -2.667) 20.677 34.046 ( 6.855 14.848 16.500) 23.231 34.200 ( -9.684 16.015 20.302) 27.612 37.895 ( 29.678 -44.804 -37.605) 65.592 38.429 ( -11.444 -30.176 -24.923) 40.776 ======================= Grid point 65 (25/126) ======================= q-point: ( 0.00 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 17.512 4.015) 17.967 1.687 ( 0.000 20.375 10.001) 22.697 1.759 ( 0.000 11.889 -0.964) 11.928 2.016 ( 0.000 2.148 5.823) 6.206 2.386 ( 0.000 18.512 6.802) 19.722 2.806 ( 0.000 -9.141 -4.875) 10.360 3.882 ( 0.000 28.052 32.788) 43.151 4.102 ( 0.000 22.944 11.818) 25.809 5.568 ( 0.000 55.113 11.399) 56.280 5.762 ( 0.000 24.224 20.219) 31.553 6.329 ( 0.000 30.143 18.345) 35.286 6.705 ( 0.000 -21.198 -18.238) 27.964 7.124 ( 0.000 1.112 -0.365) 1.170 7.432 ( 0.000 6.571 -3.063) 7.250 7.549 ( 0.000 4.689 3.330) 5.751 8.214 ( 0.000 10.615 3.222) 11.093 8.401 ( 0.000 -8.746 24.120) 25.657 9.497 ( 0.000 6.155 1.899) 6.441 9.967 ( 0.000 32.945 -3.841) 33.168 10.837 ( 0.000 22.338 1.017) 22.361 11.739 ( 0.000 -7.791 -5.119) 9.322 12.084 ( 0.000 -8.168 -2.793) 8.632 12.580 ( 0.000 -7.710 0.922) 7.765 13.042 ( 0.000 11.677 1.815) 11.817 13.838 ( 0.000 -12.901 -7.401) 14.873 13.987 ( 0.000 -4.034 -8.008) 8.967 14.355 ( 0.000 -15.590 3.985) 16.091 14.417 ( 0.000 -8.136 -9.121) 12.222 15.581 ( 0.000 1.428 19.296) 19.349 15.750 ( 0.000 -6.012 -7.926) 9.948 16.400 ( 0.000 -4.789 6.388) 7.984 16.867 ( 0.000 -19.856 -11.444) 22.917 17.437 ( 0.000 -4.270 -5.047) 6.611 17.458 ( 0.000 -7.612 6.489) 10.002 18.540 ( 0.000 4.428 3.172) 5.447 18.575 ( 0.000 -0.640 -6.705) 6.736 19.035 ( 0.000 1.763 0.151) 1.770 19.211 ( 0.000 3.101 5.334) 6.170 19.724 ( 0.000 18.896 -10.591) 21.662 20.733 ( 0.000 -8.469 -9.436) 12.679 21.156 ( 0.000 -2.302 -6.817) 7.195 21.325 ( 0.000 1.168 -4.992) 5.126 22.294 ( 0.000 -7.686 -13.721) 15.727 22.320 ( 0.000 -6.668 -5.690) 8.766 22.744 ( 0.000 -9.654 -3.261) 10.190 23.031 ( 0.000 -22.666 -7.827) 23.979 23.382 ( 0.000 -3.254 0.745) 3.338 23.628 ( 0.000 -6.937 2.116) 7.252 23.714 ( 0.000 -6.591 15.911) 17.222 24.014 ( 0.000 -23.826 17.548) 29.591 25.815 ( 0.000 7.164 -16.632) 18.109 25.848 ( 0.000 -2.063 -6.447) 6.769 26.478 ( 0.000 -2.200 -27.628) 27.715 26.699 ( 0.000 -9.108 -0.969) 9.160 27.873 ( 0.000 -1.072 -0.061) 1.074 28.188 ( 0.000 4.349 -1.284) 4.535 28.865 ( 0.000 5.294 19.262) 19.976 29.189 ( 0.000 15.752 5.089) 16.554 29.687 ( 0.000 -4.892 2.476) 5.483 29.992 ( 0.000 7.214 -1.486) 7.366 30.233 ( 0.000 4.945 -0.759) 5.003 30.985 ( 0.000 16.296 15.323) 22.369 31.043 ( 0.000 -3.067 1.384) 3.364 31.233 ( 0.000 -2.485 14.528) 14.738 31.997 ( 0.000 8.253 10.223) 13.139 32.481 ( 0.000 6.137 10.727) 12.358 32.640 ( 0.000 21.032 -0.107) 21.032 33.299 ( 0.000 6.937 -16.017) 17.455 34.226 ( 0.000 16.619 7.270) 18.139 35.076 ( 0.000 -0.285 4.096) 4.106 35.495 ( 0.000 0.060 4.329) 4.330 37.947 ( 0.000 -42.129 -14.517) 44.560 ======================= Grid point 66 (26/126) ======================= q-point: ( 0.20 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 5.531 15.129 2.054) 16.239 1.720 ( 3.164 15.287 6.518) 16.917 1.771 ( 1.034 11.927 0.225) 11.974 1.994 ( -2.574 2.597 5.975) 7.005 2.454 ( 6.773 13.966 4.968) 16.297 2.795 ( -1.554 -7.865 -4.261) 9.079 4.021 ( 15.009 26.997 30.384) 43.328 4.189 ( 10.393 25.879 13.633) 31.042 5.525 ( -21.854 25.192 24.010) 41.094 5.690 ( 4.549 45.769 8.480) 46.770 5.845 ( -29.381 20.678 8.091) 36.828 6.796 ( -3.399 0.314 -4.196) 5.410 7.154 ( -0.511 3.878 3.059) 4.966 7.385 ( -3.285 1.722 4.006) 5.459 7.711 ( 17.591 3.963 -2.689) 18.232 8.218 ( 1.981 10.186 4.472) 11.299 8.599 ( 15.311 -4.832 16.629) 23.115 9.321 ( -13.373 13.562 0.872) 19.066 10.139 ( 13.969 24.444 -2.190) 28.239 10.781 ( -5.327 20.378 1.020) 21.087 11.781 ( 0.086 -3.196 -5.675) 6.514 12.071 ( 0.992 -11.130 -1.697) 11.302 12.356 ( -16.088 -4.251 0.511) 16.648 12.988 ( -8.546 9.455 1.620) 12.847 13.880 ( 3.632 -16.250 -7.930) 18.442 14.004 ( 1.026 -11.091 -6.611) 12.953 14.426 ( 9.331 -10.207 0.843) 13.855 14.573 ( 13.292 -9.260 -5.731) 17.183 15.594 ( -8.076 -6.657 -0.821) 10.498 15.728 ( 6.136 -0.910 9.762) 11.566 16.277 ( -7.945 -1.855 4.545) 9.339 16.965 ( 2.723 -9.469 -11.429) 15.090 17.322 ( -4.457 -10.983 -0.064) 11.853 17.563 ( 8.799 -6.563 5.404) 12.235 18.222 ( -18.056 5.627 0.716) 18.926 18.590 ( -11.214 -0.692 4.795) 12.215 19.119 ( 11.128 3.124 -5.814) 12.938 19.480 ( 17.406 -0.699 -4.506) 17.993 19.750 ( 6.523 18.103 -5.405) 19.987 20.733 ( 0.068 -8.688 -10.208) 13.405 21.039 ( -11.835 -0.093 -5.425) 13.020 21.297 ( -2.844 0.293 -1.225) 3.110 22.233 ( -4.129 -8.377 -7.806) 12.172 22.351 ( 1.461 -5.046 -14.009) 14.962 22.749 ( -0.115 -12.006 -2.681) 12.303 22.935 ( -6.710 -16.852 -8.259) 19.931 23.447 ( 4.541 -4.808 -0.060) 6.614 23.623 ( -0.419 -6.163 3.034) 6.882 23.736 ( 2.271 -8.321 15.199) 17.476 23.975 ( -3.764 -20.224 18.170) 27.446 25.713 ( -2.202 0.211 -16.851) 16.996 26.024 ( 6.734 8.867 -10.129) 15.053 26.369 ( -6.445 -4.798 -22.092) 23.508 26.713 ( 0.654 -9.135 -1.182) 9.235 27.908 ( 2.309 3.180 -1.003) 4.056 28.109 ( -5.169 3.469 -6.891) 9.286 28.804 ( -7.296 7.473 18.741) 21.455 28.938 ( -18.984 12.944 13.203) 26.500 29.734 ( 7.389 -4.312 6.577) 10.791 30.105 ( 2.397 4.213 -1.030) 4.956 30.258 ( 4.872 6.663 -3.779) 9.078 30.863 ( -6.447 4.689 13.927) 16.047 31.203 ( 8.690 3.614 2.999) 9.878 31.354 ( 12.030 1.560 6.439) 13.734 31.975 ( -1.963 6.076 12.962) 14.449 32.416 ( -6.955 5.025 11.963) 14.722 32.677 ( 3.683 20.704 -0.174) 21.030 33.151 ( -12.135 12.572 -9.257) 19.774 34.286 ( 5.622 17.732 7.202) 19.948 34.805 ( -13.364 17.188 10.446) 24.149 36.162 ( 47.930 -30.154 -11.810) 57.845 37.866 ( -8.786 -42.838 -14.333) 46.019 ======================= Grid point 67 (27/126) ======================= q-point: ( 0.40 0.18 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 4.769 12.257 -2.466) 13.381 1.746 ( -0.880 9.013 0.158) 9.058 1.822 ( 4.376 8.941 5.904) 11.573 1.926 ( -4.306 5.448 5.985) 9.168 2.600 ( 7.947 4.324 0.779) 9.080 2.737 ( -4.844 -3.592 -2.322) 6.462 4.414 ( 26.180 22.042 23.774) 41.670 4.509 ( 23.439 29.138 15.059) 40.314 5.008 ( -29.938 20.153 26.729) 44.910 5.121 ( -34.754 25.091 8.870) 43.773 6.080 ( 23.655 37.613 9.436) 45.424 6.537 ( -22.130 18.939 4.457) 29.467 7.105 ( -1.843 4.634 0.284) 4.995 7.397 ( 1.689 -1.447 8.151) 8.449 8.004 ( 10.894 6.326 -1.232) 12.657 8.241 ( -0.757 8.322 5.249) 9.868 8.840 ( 9.038 1.628 4.080) 10.049 9.127 ( -6.614 11.266 3.965) 13.653 10.395 ( 12.251 20.348 -1.461) 23.797 10.657 ( -7.705 19.883 1.770) 21.397 11.736 ( -0.540 -5.529 -3.893) 6.783 11.909 ( -13.604 -9.518 -1.600) 16.680 12.404 ( 16.013 1.540 -0.541) 16.096 12.743 ( -16.393 5.867 0.816) 17.431 13.915 ( 0.290 -19.702 -8.157) 21.326 14.027 ( 1.128 -17.513 -4.678) 18.162 14.648 ( 11.864 -9.833 -2.316) 15.582 14.777 ( 4.766 -12.077 -2.691) 13.260 15.423 ( -5.623 -6.621 -5.733) 10.408 15.749 ( -5.242 -4.473 9.697) 11.896 16.348 ( 16.101 6.342 0.737) 17.321 16.762 ( -19.211 2.502 -2.777) 19.571 17.431 ( 9.918 -18.593 -1.983) 21.166 17.746 ( 7.755 -5.777 1.029) 9.725 17.934 ( -10.581 2.513 5.065) 11.997 18.343 ( -11.569 3.628 12.042) 17.088 19.317 ( 8.793 7.477 -11.876) 16.561 19.537 ( -4.807 5.455 -10.000) 12.364 20.121 ( 24.972 4.282 -2.871) 25.498 20.620 ( -16.615 -1.250 -10.114) 19.491 20.877 ( -0.778 -7.451 -2.376) 7.859 21.230 ( -3.356 1.437 3.181) 4.842 22.177 ( -1.557 -7.722 -9.347) 12.224 22.367 ( 0.336 -4.898 -18.024) 18.681 22.723 ( -1.772 -18.896 -0.578) 18.988 22.868 ( -0.901 -7.392 -9.699) 12.228 23.505 ( 1.609 -5.760 -0.703) 6.022 23.616 ( -0.312 -4.553 4.932) 6.720 23.789 ( 3.026 -11.499 12.779) 17.455 23.898 ( -3.798 -14.495 19.946) 24.947 25.748 ( 5.324 1.562 -19.364) 20.144 25.942 ( -10.107 5.930 -20.020) 23.197 26.432 ( 7.992 -1.755 -8.813) 12.026 26.694 ( -2.719 -9.269 -0.785) 9.691 27.914 ( -0.444 11.549 -8.302) 14.230 28.083 ( 0.655 -0.113 -9.492) 9.515 28.588 ( -9.201 7.766 20.095) 23.426 28.745 ( -4.377 7.256 20.085) 21.799 29.903 ( 9.396 -4.083 8.969) 13.617 30.050 ( -6.198 -0.961 6.031) 8.701 30.360 ( 3.821 9.787 -8.287) 13.381 30.767 ( -3.430 4.697 14.749) 15.854 31.323 ( 3.804 3.978 -4.342) 7.011 31.565 ( 7.561 5.305 -0.537) 9.252 31.966 ( 2.100 1.049 15.100) 15.281 32.248 ( -9.216 3.335 17.920) 20.425 32.761 ( 4.587 20.250 -1.355) 20.807 32.959 ( -7.367 18.368 -1.767) 19.869 34.401 ( 5.758 17.875 6.283) 19.803 34.622 ( -6.885 23.194 12.204) 27.098 36.928 ( 30.235 -45.891 -23.609) 59.812 37.634 ( -14.634 -43.969 -11.748) 47.807 ======================= Grid point 70 (28/126) ======================= q-point: ( 0.00 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.000 8.846 2.355) 9.154 1.949 ( 0.000 4.611 -0.879) 4.693 1.985 ( 0.000 9.158 2.838) 9.588 2.115 ( 0.000 8.990 1.671) 9.144 2.624 ( 0.000 6.227 -1.278) 6.356 2.627 ( 0.000 -8.055 -3.363) 8.729 4.466 ( 0.000 28.745 34.972) 45.269 4.689 ( 0.000 32.738 10.894) 34.503 6.234 ( 0.000 -11.005 -13.213) 17.196 6.235 ( 0.000 19.336 16.455) 25.390 6.565 ( 0.000 15.975 0.590) 15.986 6.627 ( 0.000 5.846 12.843) 14.111 7.221 ( 0.000 4.680 0.678) 4.729 7.718 ( 0.000 22.231 13.885) 26.211 7.796 ( 0.000 17.837 -2.701) 18.040 8.514 ( 0.000 22.197 16.172) 27.464 8.572 ( 0.000 26.730 13.427) 29.912 9.671 ( 0.000 13.081 1.932) 13.223 10.554 ( 0.000 23.514 -4.703) 23.980 11.282 ( 0.000 18.576 -7.602) 20.071 11.455 ( 0.000 -20.720 -1.736) 20.793 11.956 ( 0.000 -2.325 1.443) 2.736 12.380 ( 0.000 -9.379 0.491) 9.392 13.174 ( 0.000 -2.515 -3.646) 4.429 13.515 ( 0.000 -15.291 -2.395) 15.478 13.822 ( 0.000 -16.969 2.626) 17.171 14.023 ( 0.000 -16.583 13.519) 21.395 14.426 ( 0.000 13.149 -17.256) 21.695 15.593 ( 0.000 -1.845 15.274) 15.385 15.608 ( 0.000 -6.762 -6.279) 9.228 16.352 ( 0.000 0.548 6.224) 6.248 16.541 ( 0.000 -10.393 -14.643) 17.956 17.264 ( 0.000 -10.363 4.044) 11.124 17.439 ( 0.000 3.973 -7.635) 8.607 18.493 ( 0.000 -8.575 0.161) 8.577 18.605 ( 0.000 1.891 2.768) 3.352 19.007 ( 0.000 -5.005 -4.774) 6.917 19.289 ( 0.000 5.468 -2.502) 6.014 20.118 ( 0.000 18.926 -9.330) 21.101 20.504 ( 0.000 -13.507 -9.027) 16.246 21.061 ( 0.000 -7.677 -6.225) 9.884 21.293 ( 0.000 -3.067 -1.746) 3.530 21.975 ( 0.000 -21.650 -12.732) 25.116 22.133 ( 0.000 -17.682 -15.410) 23.455 22.551 ( 0.000 -16.326 8.320) 18.324 22.634 ( 0.000 -1.527 -1.560) 2.183 23.333 ( 0.000 -1.697 7.041) 7.243 23.488 ( 0.000 -5.253 6.087) 8.040 23.575 ( 0.000 -5.708 12.034) 13.319 23.738 ( 0.000 -6.578 2.065) 6.895 25.821 ( 0.000 0.383 -7.249) 7.259 25.992 ( 0.000 9.384 -17.521) 19.876 26.422 ( 0.000 -3.767 -24.851) 25.135 26.586 ( 0.000 -2.787 -2.879) 4.007 27.774 ( 0.000 -7.420 -6.221) 9.683 28.271 ( 0.000 4.206 0.943) 4.311 28.999 ( 0.000 7.170 24.103) 25.147 29.416 ( 0.000 6.934 14.054) 15.672 29.612 ( 0.000 -2.381 2.714) 3.610 30.172 ( 0.000 9.281 -7.456) 11.905 30.311 ( 0.000 2.371 -3.598) 4.309 30.918 ( 0.000 -7.541 6.564) 9.998 31.026 ( 0.000 -4.411 14.203) 14.872 31.467 ( 0.000 16.374 8.521) 18.459 32.222 ( 0.000 12.049 10.819) 16.194 32.555 ( 0.000 0.176 10.788) 10.790 33.105 ( 0.000 23.577 -0.575) 23.584 33.463 ( 0.000 12.397 -3.786) 12.963 34.493 ( 0.000 7.565 -2.480) 7.961 35.110 ( 0.000 4.479 9.759) 10.737 35.555 ( 0.000 3.691 -7.548) 8.402 37.034 ( 0.000 -45.058 -6.196) 45.482 ======================= Grid point 71 (29/126) ======================= q-point: ( 0.20 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.306 7.773 2.018) 8.355 1.934 ( -1.537 4.532 -0.240) 4.791 1.988 ( 0.339 8.688 2.049) 8.933 2.101 ( -1.465 8.708 1.928) 9.038 2.605 ( 0.289 -1.371 -2.395) 2.775 2.664 ( 1.521 -1.175 -2.677) 3.295 4.583 ( 12.080 27.783 30.207) 42.782 4.765 ( 8.901 29.640 13.914) 33.932 5.862 ( -28.663 -0.087 0.852) 28.676 6.071 ( -21.120 18.657 17.378) 33.108 6.473 ( 1.478 11.835 -2.710) 12.231 6.912 ( 14.072 7.171 7.646) 17.547 7.212 ( 0.123 6.556 -0.631) 6.587 7.541 ( -9.614 16.526 7.037) 20.373 8.076 ( 18.794 22.182 2.600) 29.189 8.537 ( 2.535 23.772 17.118) 29.403 8.747 ( 15.853 22.749 9.812) 29.413 9.596 ( -8.050 16.839 0.169) 18.665 10.627 ( 7.879 21.183 -3.430) 22.859 11.129 ( -8.299 9.704 -2.581) 13.027 11.644 ( 4.951 -11.236 -6.027) 13.678 11.868 ( -2.271 -5.054 3.030) 6.315 12.220 ( -13.305 -7.183 -0.090) 15.120 13.037 ( -12.144 -6.554 -0.556) 13.811 13.524 ( 1.528 -17.370 -2.120) 17.566 13.806 ( -5.357 -11.813 6.516) 14.516 14.180 ( 16.167 -15.542 4.011) 22.782 14.484 ( 5.055 7.439 -13.673) 16.365 15.466 ( -8.341 -4.700 -4.906) 10.758 15.707 ( 4.428 -2.159 11.639) 12.639 16.302 ( 0.264 3.709 2.587) 4.530 16.719 ( 14.875 -12.463 -11.870) 22.748 17.218 ( -11.442 -2.047 -3.633) 12.178 17.408 ( 3.156 -5.788 1.760) 6.824 18.285 ( -13.928 -0.061 1.730) 14.035 18.578 ( -9.204 -1.216 3.548) 9.939 19.099 ( 12.609 -5.236 -5.464) 14.706 19.489 ( 14.247 1.878 -8.966) 16.938 20.095 ( -0.711 13.279 -2.606) 13.551 20.518 ( 1.801 -10.019 -12.037) 15.764 20.993 ( -8.498 -5.193 -3.938) 10.710 21.270 ( -1.501 -2.085 0.176) 2.575 21.926 ( -3.762 -21.924 -10.712) 24.689 22.101 ( -3.996 -20.423 -15.127) 25.727 22.540 ( 0.059 -7.338 0.519) 7.357 22.690 ( 4.577 -3.971 -0.051) 6.059 23.357 ( 1.700 -3.988 6.881) 8.133 23.481 ( -1.003 -6.444 8.169) 10.452 23.568 ( 0.330 -6.270 8.906) 10.897 23.730 ( -1.156 -5.624 5.035) 7.636 25.743 ( -2.300 2.526 -14.670) 15.063 26.177 ( 9.656 4.219 -13.585) 17.192 26.307 ( -7.137 0.077 -19.910) 21.151 26.609 ( 1.864 -1.848 -2.988) 3.977 27.849 ( 6.934 -6.520 -8.310) 12.635 28.198 ( -6.467 4.454 -3.035) 8.418 28.960 ( -4.673 8.050 22.411) 24.267 29.175 ( -19.539 9.673 14.270) 26.057 29.657 ( 5.598 -3.516 9.583) 11.642 30.174 ( -6.614 1.449 -0.532) 6.792 30.386 ( 9.783 5.502 -7.763) 13.647 30.784 ( -5.437 -6.972 9.679) 13.110 31.275 ( 16.381 -0.357 6.265) 17.542 31.518 ( 5.866 13.601 7.127) 16.437 32.169 ( -5.583 11.207 10.962) 16.641 32.476 ( -8.036 0.589 13.616) 15.821 33.132 ( 2.895 22.977 -0.469) 23.164 33.419 ( -4.171 15.655 -2.340) 16.369 34.583 ( 7.787 9.314 -2.967) 12.498 35.103 ( -1.205 11.608 8.664) 14.535 35.728 ( 17.694 -13.200 -9.810) 24.157 36.956 ( -8.293 -44.043 -5.356) 45.136 ======================= Grid point 72 (30/126) ======================= q-point: ( 0.40 0.27 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 3.286 5.543 1.461) 6.607 1.894 ( -2.770 4.335 0.216) 5.149 1.998 ( 0.606 8.873 1.427) 9.008 2.071 ( -1.366 7.611 2.192) 8.038 2.633 ( 2.263 -1.688 -2.727) 3.926 2.669 ( -1.064 -1.666 -2.921) 3.527 4.875 ( 19.023 22.454 15.235) 33.139 5.034 ( 17.987 23.562 22.551) 37.246 5.333 ( -25.565 10.918 7.697) 28.845 5.606 ( -25.286 21.810 23.542) 40.857 6.543 ( 3.885 4.180 -5.963) 8.254 7.038 ( 0.295 21.402 9.180) 23.290 7.242 ( 2.219 7.420 -1.288) 7.851 7.426 ( -2.396 11.464 4.313) 12.481 8.354 ( 9.056 12.173 7.502) 16.926 8.582 ( 1.422 34.836 15.844) 38.296 9.068 ( 17.384 21.689 1.521) 27.838 9.388 ( -13.859 18.698 -0.545) 23.281 10.813 ( 10.049 19.368 -2.102) 21.921 11.019 ( -4.440 13.709 0.741) 14.429 11.557 ( -2.605 -11.670 -0.490) 11.967 11.709 ( -16.601 -9.979 -1.354) 19.416 12.322 ( 21.556 -8.701 -0.050) 23.246 12.735 ( -20.658 -7.729 0.009) 22.056 13.574 ( 3.397 -15.606 0.070) 15.972 13.692 ( -5.311 -15.912 4.268) 17.309 14.450 ( 9.895 -8.552 -2.533) 13.321 14.561 ( 2.058 -3.281 -6.450) 7.523 15.339 ( -4.125 -1.177 -7.710) 8.823 15.705 ( -2.734 -1.777 9.944) 10.465 16.482 ( 18.019 6.302 -0.699) 19.102 16.854 ( -17.003 5.751 -8.583) 19.896 17.022 ( 6.727 -18.564 -4.937) 20.353 17.487 ( 2.075 -15.239 3.805) 15.844 18.075 ( -6.659 7.401 0.647) 9.977 18.398 ( -7.086 1.006 8.859) 11.389 19.364 ( 14.245 -4.066 -10.009) 17.879 19.576 ( -6.466 -0.710 -14.567) 15.954 20.236 ( 16.445 3.193 3.908) 17.202 20.514 ( -6.702 -6.013 -9.131) 12.824 20.797 ( -8.021 -0.631 -5.696) 9.857 21.238 ( -1.802 -0.271 4.952) 5.277 21.900 ( 1.664 -20.775 -10.960) 23.548 22.000 ( -5.754 -24.541 -13.644) 28.662 22.552 ( 0.615 -0.779 -5.256) 5.349 22.764 ( 2.598 -2.277 -2.323) 4.163 23.378 ( 0.709 -6.694 5.258) 8.542 23.446 ( -1.964 -10.568 10.202) 14.820 23.614 ( 4.077 -4.907 7.796) 10.073 23.688 ( -3.389 -4.854 8.271) 10.171 25.791 ( 7.274 1.909 -18.616) 20.077 26.006 ( -13.774 -0.287 -20.841) 24.983 26.478 ( 11.703 5.200 -6.359) 14.298 26.613 ( -2.739 1.148 -3.893) 4.897 27.977 ( 5.540 -5.106 -11.951) 14.128 28.091 ( -4.176 3.084 -9.393) 10.732 28.797 ( -9.485 11.080 17.653) 22.899 28.941 ( -4.570 11.154 22.898) 25.877 29.803 ( 9.681 -5.758 12.968) 17.177 29.998 ( -10.822 -4.624 8.617) 14.586 30.527 ( 4.104 6.011 -9.330) 11.833 30.731 ( -1.033 -4.507 6.534) 8.005 31.515 ( 7.901 10.042 -0.444) 12.785 31.675 ( 8.464 6.071 1.365) 10.505 32.047 ( -5.583 6.589 12.749) 15.399 32.307 ( -7.833 2.837 21.032) 22.622 33.202 ( 4.060 22.393 -0.780) 22.771 33.334 ( -4.338 18.857 0.068) 19.350 34.709 ( 4.439 10.893 -4.264) 12.512 35.069 ( -1.786 19.291 9.170) 21.434 36.094 ( 16.821 -35.529 -17.099) 42.868 36.757 ( -10.779 -39.631 -0.961) 41.082 ======================= Grid point 75 (31/126) ======================= q-point: ( 0.00 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 0.000 4.159 2.525) 4.865 1.989 ( 0.000 0.588 2.313) 2.386 2.097 ( 0.000 2.820 0.529) 2.869 2.317 ( 0.000 9.178 -3.065) 9.676 2.490 ( 0.000 -5.138 -2.033) 5.526 2.686 ( 0.000 0.608 -4.038) 4.084 5.011 ( 0.000 23.707 28.868) 37.355 5.311 ( 0.000 24.327 7.054) 25.329 5.974 ( 0.000 -11.603 -5.022) 12.643 6.438 ( 0.000 6.308 7.668) 9.929 6.570 ( 0.000 -8.704 5.326) 10.204 6.902 ( 0.000 17.724 24.824) 30.502 7.240 ( 0.000 0.346 4.452) 4.466 7.999 ( 0.000 5.553 -3.254) 6.436 8.400 ( 0.000 33.340 3.370) 33.510 9.009 ( 0.000 9.405 10.336) 13.974 9.203 ( 0.000 38.497 8.422) 39.407 10.157 ( 0.000 29.511 4.497) 29.852 10.912 ( 0.000 11.594 -6.648) 13.365 10.984 ( 0.000 -17.067 0.978) 17.095 11.526 ( 0.000 7.472 -10.485) 12.875 12.028 ( 0.000 6.763 1.795) 6.997 12.251 ( 0.000 -4.288 2.418) 4.923 12.940 ( 0.000 -12.177 -2.844) 12.505 13.299 ( 0.000 -9.668 2.095) 9.893 13.346 ( 0.000 -27.116 4.097) 27.424 13.653 ( 0.000 -20.635 21.472) 29.780 14.828 ( 0.000 21.648 -12.903) 25.202 15.490 ( 0.000 -6.474 -0.539) 6.496 15.527 ( 0.000 -0.629 -4.784) 4.825 16.409 ( 0.000 4.236 5.054) 6.595 16.428 ( 0.000 -3.695 -4.523) 5.841 17.117 ( 0.000 -1.076 -2.511) 2.732 17.584 ( 0.000 9.930 -9.781) 13.938 18.207 ( 0.000 -18.963 1.441) 19.018 18.546 ( 0.000 -10.605 -5.597) 11.992 18.905 ( 0.000 -1.401 1.388) 1.972 19.459 ( 0.000 11.324 -5.111) 12.424 20.208 ( 0.000 -14.647 -7.727) 16.560 20.442 ( 0.000 8.705 -12.242) 15.022 20.840 ( 0.000 -10.462 -1.460) 10.563 21.237 ( 0.000 -1.918 -2.270) 2.972 21.564 ( 0.000 -16.397 -3.259) 16.718 21.666 ( 0.000 -22.052 -7.696) 23.356 22.390 ( 0.000 -3.776 5.185) 6.414 22.601 ( 0.000 -2.563 -8.987) 9.346 23.328 ( 0.000 1.475 13.103) 13.186 23.442 ( 0.000 0.218 5.592) 5.596 23.495 ( 0.000 -2.526 7.250) 7.677 23.645 ( 0.000 -3.381 -3.312) 4.733 25.875 ( 0.000 4.747 -9.481) 10.603 26.175 ( 0.000 8.244 -17.662) 19.491 26.318 ( 0.000 -6.282 -20.595) 21.532 26.553 ( 0.000 -1.141 -3.293) 3.485 27.610 ( 0.000 -7.826 -9.407) 12.237 28.358 ( 0.000 4.078 0.017) 4.078 29.134 ( 0.000 5.621 24.332) 24.973 29.503 ( 0.000 2.315 19.560) 19.696 29.591 ( 0.000 0.214 5.424) 5.428 30.322 ( 0.000 -1.232 -5.977) 6.103 30.327 ( 0.000 5.381 -10.503) 11.801 30.785 ( 0.000 -4.791 9.160) 10.338 30.954 ( 0.000 -2.307 8.291) 8.606 31.738 ( 0.000 9.908 9.987) 14.068 32.443 ( 0.000 8.972 11.406) 14.512 32.504 ( 0.000 -3.940 13.437) 14.003 33.570 ( 0.000 21.341 -0.048) 21.341 33.838 ( 0.000 23.506 -2.247) 23.613 34.512 ( 0.000 -4.611 -7.650) 8.932 35.250 ( 0.000 7.765 11.657) 14.006 35.541 ( 0.000 -9.780 -17.614) 20.147 36.227 ( 0.000 -28.941 5.212) 29.407 ======================= Grid point 76 (32/126) ======================= q-point: ( 0.20 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.896 3.745 2.553) 4.620 1.976 ( -1.270 0.832 2.359) 2.805 2.104 ( 0.900 3.161 0.427) 3.315 2.283 ( -3.536 7.382 -2.102) 8.451 2.517 ( 2.863 -3.320 -2.737) 5.169 2.683 ( -0.604 0.160 -4.101) 4.148 5.103 ( 9.322 21.858 27.053) 36.007 5.294 ( -0.141 18.436 7.770) 20.007 5.818 ( -14.641 -0.074 1.331) 14.702 6.253 ( -17.434 -4.007 7.167) 19.271 6.640 ( 0.391 11.314 11.289) 15.987 6.912 ( 10.776 1.674 16.978) 20.179 7.405 ( 10.252 9.508 -0.449) 13.989 7.931 ( -7.085 12.322 2.302) 14.399 8.424 ( 3.132 17.893 -0.437) 18.170 8.996 ( 0.178 9.499 11.765) 15.122 9.416 ( 19.032 39.568 5.702) 44.276 10.165 ( -0.225 33.859 2.915) 33.985 10.905 ( 2.162 0.036 -5.584) 5.988 11.068 ( 6.313 -1.808 1.980) 6.859 11.518 ( -2.924 1.129 -10.866) 11.309 11.891 ( -11.468 4.013 3.809) 12.732 12.115 ( -12.815 -2.967 0.602) 13.168 12.818 ( -8.164 -10.524 4.900) 14.192 13.134 ( -5.764 -21.289 3.288) 22.299 13.452 ( -6.470 -23.170 12.227) 26.986 13.882 ( 25.792 -11.988 4.331) 28.770 14.812 ( -2.520 19.844 -11.104) 22.879 15.412 ( -3.622 -1.676 -4.786) 6.232 15.616 ( 2.873 -5.470 1.492) 6.356 16.397 ( 3.082 4.631 0.290) 5.570 16.546 ( 10.972 -4.346 -2.829) 12.136 17.129 ( -1.400 -2.869 -4.535) 5.547 17.446 ( -12.518 6.962 -6.518) 15.736 18.180 ( -2.201 -10.255 0.877) 10.525 18.497 ( -6.126 -8.568 -2.844) 10.910 18.976 ( 9.174 -3.931 -1.245) 10.058 19.568 ( 7.303 6.379 -8.672) 13.009 20.085 ( -7.202 -11.581 -2.899) 13.942 20.501 ( 2.849 1.830 -12.460) 12.912 20.825 ( -1.826 -7.066 -2.622) 7.755 21.230 ( -0.273 -2.312 -1.900) 3.004 21.497 ( -4.280 -16.575 -5.367) 17.940 21.683 ( -1.050 -16.771 -2.043) 16.927 22.434 ( 4.851 -4.049 -0.580) 6.346 22.643 ( 4.076 -2.606 -8.442) 9.730 23.311 ( -2.051 -0.194 13.274) 13.433 23.391 ( -5.521 -2.468 7.714) 9.802 23.500 ( 2.058 -1.045 2.344) 3.289 23.659 ( 0.450 -2.246 1.499) 2.738 25.815 ( -3.095 4.461 -14.216) 15.217 26.148 ( -7.943 -4.477 -19.086) 21.152 26.402 ( 11.246 6.513 -13.666) 18.859 26.602 ( 4.801 0.376 -4.026) 6.277 27.700 ( 8.571 -7.260 -10.737) 15.539 28.275 ( -8.142 3.048 -2.972) 9.188 29.122 ( -2.403 7.490 21.962) 23.328 29.343 ( -13.689 7.100 17.133) 23.051 29.583 ( 1.361 -3.761 12.860) 13.467 30.141 ( -15.156 -4.305 2.579) 15.965 30.468 ( 9.703 2.529 -10.069) 14.210 30.678 ( -2.763 -3.018 3.649) 5.482 31.260 ( 21.379 -0.428 5.490) 22.077 31.769 ( 3.371 9.929 8.299) 13.372 32.360 ( -8.087 5.308 10.953) 14.613 32.473 ( -3.849 1.270 15.587) 16.106 33.587 ( 2.036 21.060 0.497) 21.164 33.813 ( -2.675 22.686 -1.544) 22.896 34.618 ( 10.012 -5.177 -9.076) 14.471 35.277 ( 2.569 4.009 10.765) 11.771 35.534 ( -0.709 -9.851 -16.984) 19.647 36.184 ( -4.259 -27.137 5.720) 28.059 ======================= Grid point 77 (33/126) ======================= q-point: ( 0.40 0.36 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 1.406 2.739 2.638) 4.055 1.948 ( -1.613 1.555 2.424) 3.301 2.136 ( 2.643 4.229 -0.062) 4.987 2.206 ( -4.221 5.122 -0.730) 6.677 2.584 ( 3.898 -1.576 -3.683) 5.590 2.654 ( -2.547 -0.584 -3.912) 4.705 5.273 ( 7.700 14.624 10.475) 19.568 5.406 ( 9.278 9.699 14.755) 19.947 5.547 ( -8.309 13.276 13.639) 20.768 5.859 ( -21.855 1.553 18.004) 28.358 6.688 ( 3.400 14.051 2.641) 14.695 7.130 ( 8.276 0.276 16.368) 18.344 7.495 ( 0.163 14.728 -6.191) 15.977 7.808 ( -4.185 16.355 5.303) 17.695 8.506 ( 4.199 5.838 -2.513) 7.618 8.994 ( -0.675 1.366 13.588) 13.673 9.798 ( 20.044 44.647 1.018) 48.950 10.085 ( -9.891 42.336 -0.536) 43.479 11.044 ( 12.873 -6.753 -0.905) 14.564 11.192 ( 6.785 12.682 -0.466) 14.390 11.361 ( -11.586 -7.094 -1.966) 13.727 11.544 ( -20.893 -1.209 -2.673) 21.098 12.156 ( 15.867 -5.362 5.266) 17.557 12.544 ( -20.604 -7.300 5.880) 22.636 13.148 ( 5.595 -26.689 5.805) 27.880 13.300 ( -8.070 -23.363 9.863) 26.612 14.354 ( 22.927 -1.180 -1.981) 23.042 14.690 ( -11.856 12.101 -6.449) 18.127 15.371 ( -0.873 3.154 -6.505) 7.282 15.595 ( -2.887 -9.680 4.220) 10.947 16.595 ( 17.043 4.938 -4.269) 18.250 16.773 ( 9.940 -4.036 -2.506) 11.018 16.959 ( -15.873 2.672 -8.599) 18.249 17.238 ( -8.249 -6.536 -0.824) 10.557 18.168 ( 1.190 0.608 -0.509) 1.430 18.363 ( -6.193 -4.992 1.493) 8.093 19.216 ( 15.233 -7.538 -6.330) 18.137 19.512 ( -12.645 -4.606 -9.408) 16.421 20.151 ( 12.424 -8.000 -2.010) 14.912 20.441 ( -9.638 -6.271 -3.084) 11.905 20.827 ( 2.317 3.942 -11.655) 12.519 21.196 ( -3.275 -6.447 -4.076) 8.301 21.486 ( 3.361 -12.022 0.252) 12.486 21.611 ( -5.463 -13.104 1.365) 14.263 22.531 ( 3.889 -1.814 -10.231) 11.094 22.720 ( 3.121 -3.446 -7.305) 8.659 23.267 ( -1.762 -3.426 12.400) 12.985 23.288 ( -4.104 -4.312 7.738) 9.763 23.559 ( 3.440 -0.715 4.972) 6.089 23.644 ( -1.896 -0.934 4.173) 4.677 25.822 ( 4.162 1.389 -17.853) 18.385 25.964 ( -9.892 -2.906 -19.004) 21.620 26.596 ( 6.876 5.903 -8.060) 12.128 26.690 ( 3.320 4.573 -6.316) 8.475 27.869 ( 8.055 -4.649 -12.547) 15.618 28.109 ( -8.141 -1.009 -7.974) 11.440 29.021 ( -5.918 10.799 15.677) 19.935 29.171 ( -4.004 10.836 23.206) 25.923 29.664 ( 7.532 -7.893 15.364) 18.844 29.863 ( -13.388 -7.994 13.418) 20.571 30.602 ( 4.056 1.611 -8.988) 9.992 30.662 ( -0.238 -1.918 -1.687) 2.565 31.628 ( 16.866 2.376 1.632) 17.111 31.825 ( -0.404 6.668 1.651) 6.882 32.199 ( -6.720 7.298 13.227) 16.534 32.376 ( -5.003 3.837 20.544) 21.490 33.649 ( 4.619 20.823 0.795) 21.344 33.742 ( -4.832 21.260 -0.076) 21.802 34.794 ( 6.438 -3.405 -11.179) 13.342 35.324 ( 1.796 -5.819 7.715) 9.829 35.522 ( -0.383 -10.128 -14.702) 17.857 36.102 ( -3.355 -22.738 6.932) 24.007 ======================= Grid point 80 (34/126) ======================= q-point: ( 0.00 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.000 1.401 2.770) 3.105 1.992 ( 0.000 -0.105 2.976) 2.978 2.127 ( 0.000 0.526 -0.056) 0.529 2.420 ( 0.000 -1.703 -1.266) 2.123 2.461 ( 0.000 4.301 -4.438) 6.180 2.673 ( 0.000 -1.176 -4.911) 5.050 5.419 ( 0.000 16.542 15.544) 22.699 5.595 ( 0.000 4.947 4.057) 6.398 5.733 ( 0.000 -12.785 12.546) 17.913 6.428 ( 0.000 -3.464 2.597) 4.330 6.631 ( 0.000 8.970 10.202) 13.585 7.163 ( 0.000 6.355 25.568) 26.346 7.251 ( 0.000 0.423 7.469) 7.481 8.095 ( 0.000 3.352 -0.861) 3.461 8.918 ( 0.000 15.017 0.652) 15.031 9.068 ( 0.000 0.291 5.214) 5.222 9.780 ( 0.000 14.226 -1.932) 14.356 10.197 ( 0.000 -12.441 1.177) 12.497 11.060 ( 0.000 3.924 -4.697) 6.120 11.357 ( 0.000 39.129 5.851) 39.564 11.595 ( 0.000 -1.913 -24.384) 24.459 12.061 ( 0.000 -19.709 5.687) 20.513 12.263 ( 0.000 19.700 9.116) 21.707 12.809 ( 0.000 -8.432 1.756) 8.613 12.861 ( 0.000 -14.727 5.446) 15.702 13.060 ( 0.000 -9.769 16.923) 19.540 13.247 ( 0.000 -13.703 15.748) 20.875 15.119 ( 0.000 4.069 -11.701) 12.388 15.459 ( 0.000 4.463 -6.954) 8.263 15.551 ( 0.000 1.551 -3.780) 4.085 16.313 ( 0.000 -5.743 -3.114) 6.533 16.486 ( 0.000 2.453 4.280) 4.933 17.281 ( 0.000 15.071 -3.320) 15.432 17.772 ( 0.000 -21.356 -0.765) 21.370 17.838 ( 0.000 14.401 -10.248) 17.675 18.222 ( 0.000 -17.523 -11.796) 21.124 18.939 ( 0.000 2.245 6.275) 6.664 19.738 ( 0.000 14.524 -6.264) 15.818 19.964 ( 0.000 -7.350 -6.006) 9.492 20.254 ( 0.000 -17.482 -8.416) 19.402 20.905 ( 0.000 9.357 0.871) 9.397 21.226 ( 0.000 1.038 -3.446) 3.599 21.306 ( 0.000 -9.077 -2.525) 9.421 21.336 ( 0.000 -9.620 -5.540) 11.101 22.340 ( 0.000 -1.221 4.438) 4.602 22.547 ( 0.000 -1.809 -9.447) 9.619 23.377 ( 0.000 2.477 4.264) 4.932 23.453 ( 0.000 -1.745 13.959) 14.068 23.463 ( 0.000 1.032 5.246) 5.346 23.593 ( 0.000 -1.526 -5.554) 5.760 25.998 ( 0.000 6.678 -12.197) 13.906 26.176 ( 0.000 -7.076 -16.345) 17.811 26.312 ( 0.000 4.356 -17.426) 17.962 26.525 ( 0.000 -1.378 -3.341) 3.614 27.488 ( 0.000 -3.400 -10.732) 11.258 28.421 ( 0.000 1.743 -1.474) 2.282 29.214 ( 0.000 1.987 21.976) 22.065 29.529 ( 0.000 0.524 22.485) 22.491 29.607 ( 0.000 0.827 9.953) 9.987 30.283 ( 0.000 -1.622 -7.073) 7.256 30.393 ( 0.000 1.431 -11.773) 11.860 30.727 ( 0.000 -1.158 9.184) 9.256 30.927 ( 0.000 -0.599 4.855) 4.892 31.872 ( 0.000 3.242 11.177) 11.637 32.438 ( 0.000 -1.906 15.453) 15.570 32.570 ( 0.000 3.233 11.687) 12.126 33.946 ( 0.000 13.944 3.324) 14.335 34.359 ( 0.000 -8.602 -11.100) 14.043 34.386 ( 0.000 29.212 -4.499) 29.556 35.055 ( 0.000 -31.408 -13.603) 34.227 35.371 ( 0.000 3.288 10.537) 11.038 35.967 ( 0.000 -2.463 4.138) 4.815 ======================= Grid point 81 (35/126) ======================= q-point: ( 0.20 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.328 1.255 2.823) 3.106 1.984 ( -0.806 0.045 2.981) 3.089 2.139 ( 1.443 0.662 -0.052) 1.589 2.363 ( -4.762 0.832 -1.228) 4.988 2.505 ( 3.558 1.401 -4.313) 5.764 2.670 ( -0.595 -0.911 -4.873) 4.993 5.386 ( -2.599 3.990 6.278) 7.880 5.544 ( -0.261 11.262 22.371) 25.047 5.803 ( 1.654 -5.244 5.169) 7.547 6.159 ( -20.884 -1.768 4.671) 21.473 6.823 ( 13.338 6.446 10.952) 18.423 7.025 ( -0.852 4.551 22.200) 22.678 7.573 ( 19.534 5.593 6.306) 21.275 8.048 ( -4.772 1.659 -1.077) 5.165 8.775 ( -11.476 12.946 1.095) 17.335 9.030 ( -4.945 -2.648 4.684) 7.308 10.026 ( 23.357 15.735 -3.656) 28.399 10.311 ( 11.147 -9.487 0.000) 14.637 11.048 ( -1.367 5.958 -4.862) 7.811 11.365 ( -0.879 21.508 -1.294) 21.565 11.582 ( -1.200 10.462 -13.977) 17.500 11.946 ( -13.977 -0.031 6.072) 15.239 12.222 ( -7.917 15.290 8.155) 19.052 12.433 ( -4.051 -26.368 7.064) 27.597 12.887 ( -10.830 -17.896 13.069) 24.665 12.951 ( -15.737 -7.792 14.637) 22.861 13.677 ( 37.294 -7.084 4.243) 38.197 15.129 ( -2.342 7.386 -8.265) 11.329 15.386 ( -4.774 2.529 -5.349) 7.603 15.536 ( -3.549 -3.985 -3.548) 6.408 16.426 ( 11.141 -0.825 -4.202) 11.936 16.534 ( 7.384 1.353 1.497) 7.654 17.225 ( -6.706 11.433 -5.297) 14.274 17.524 ( -17.072 -4.826 -4.842) 18.390 17.998 ( 7.974 -0.625 -4.858) 9.358 18.235 ( 0.493 -14.230 -8.191) 16.427 18.970 ( 4.528 1.433 2.885) 5.557 19.732 ( -9.481 5.869 -7.108) 13.223 19.894 ( 2.821 -1.625 -3.965) 5.131 20.265 ( -0.104 -16.382 -5.480) 17.275 20.896 ( -0.507 6.921 -4.782) 8.428 21.135 ( -6.027 -5.928 -8.877) 12.258 21.324 ( 3.308 -1.200 -1.358) 3.772 21.456 ( 5.578 -6.252 3.510) 9.084 22.375 ( 4.520 -1.479 1.377) 4.951 22.585 ( 3.440 -2.130 -10.094) 10.874 23.330 ( -4.842 1.448 8.205) 9.637 23.359 ( -7.093 -1.247 6.753) 9.873 23.501 ( 3.193 0.579 3.662) 4.893 23.626 ( 1.644 -0.953 1.557) 2.457 25.920 ( -5.954 5.651 -15.323) 17.383 26.041 ( -8.237 -5.726 -16.786) 19.555 26.519 ( 13.585 4.277 -13.737) 19.788 26.599 ( 7.467 -0.996 -4.949) 9.014 27.584 ( 9.562 -3.335 -10.823) 14.822 28.319 ( -10.426 1.132 -3.739) 11.134 29.248 ( 2.525 4.084 19.169) 19.761 29.459 ( -8.391 3.732 20.213) 22.202 29.510 ( -4.970 -2.947 16.460) 17.445 30.046 ( -20.130 -3.436 3.371) 20.698 30.499 ( 8.188 0.662 -11.369) 14.026 30.645 ( -1.401 -0.655 0.967) 1.824 31.258 ( 23.144 0.021 4.223) 23.526 31.906 ( 3.158 3.418 8.103) 9.344 32.377 ( -5.573 -0.648 16.526) 17.453 32.542 ( -3.397 2.706 12.321) 13.064 33.960 ( 1.863 13.787 3.685) 14.392 34.299 ( -5.602 18.865 -3.408) 19.972 34.469 ( 7.678 -2.014 -10.982) 13.551 34.987 ( -5.810 -26.887 -11.500) 29.815 35.463 ( 8.046 1.770 7.384) 11.063 35.929 ( -4.083 -2.853 4.479) 6.699 ======================= Grid point 82 (36/126) ======================= q-point: ( 0.40 0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.640 0.919 2.931) 3.138 1.967 ( -0.914 0.383 2.954) 3.115 2.185 ( 3.567 0.971 -0.164) 3.701 2.267 ( -5.157 1.179 -0.585) 5.322 2.577 ( 3.872 0.400 -4.635) 6.052 2.642 ( -2.532 -0.527 -4.707) 5.371 5.406 ( 5.513 1.211 6.758) 8.805 5.564 ( -0.907 5.220 18.607) 19.347 5.752 ( -5.236 4.683 9.554) 11.859 5.816 ( -11.406 -2.076 11.099) 16.050 7.003 ( 5.469 13.021 13.135) 19.287 7.145 ( 8.314 -0.995 18.336) 20.158 7.798 ( 2.971 13.072 -2.701) 13.674 7.971 ( -2.076 -0.641 0.904) 2.354 8.648 ( 0.124 7.776 1.020) 7.843 8.898 ( -7.769 -7.407 5.984) 12.289 10.456 ( 17.386 14.193 -10.089) 24.607 10.550 ( 11.821 0.723 -5.179) 12.926 11.018 ( -0.230 6.331 -2.989) 7.005 11.187 ( -16.741 -4.711 -6.088) 18.426 11.602 ( 4.249 24.000 4.340) 24.757 11.762 ( -2.984 22.210 5.787) 23.144 12.110 ( -3.660 -0.283 5.627) 6.718 12.437 ( -8.293 -18.484 10.878) 22.994 12.569 ( -3.827 -13.241 9.946) 16.997 12.795 ( -6.049 -23.117 14.182) 27.787 14.346 ( 33.603 -0.142 0.416) 33.606 14.897 ( -22.382 5.221 -1.770) 23.051 15.367 ( 1.974 -1.985 -4.612) 5.396 15.442 ( -4.931 -3.560 -3.110) 6.831 16.686 ( 15.952 4.335 -7.026) 17.962 16.770 ( 14.967 -0.881 -3.076) 15.306 17.031 ( -12.761 7.533 -6.239) 16.078 17.188 ( -18.021 -2.889 -3.576) 18.598 18.119 ( 5.410 -2.326 -3.345) 6.773 18.210 ( -3.248 -7.990 -3.581) 9.339 19.137 ( 13.325 -0.509 -2.683) 13.602 19.440 ( -17.567 -1.941 -4.933) 18.349 20.047 ( 8.975 -0.201 -3.761) 9.733 20.222 ( -4.526 -11.542 -1.450) 12.482 20.913 ( 2.477 3.106 -13.379) 13.957 21.030 ( -5.013 -5.903 -13.476) 15.543 21.403 ( 4.765 -0.049 6.423) 7.997 21.480 ( -2.470 -1.892 8.546) 9.095 22.502 ( 7.345 -0.397 -6.435) 9.773 22.630 ( 0.089 -3.937 -9.557) 10.337 23.231 ( -3.600 -0.466 9.997) 10.635 23.250 ( -4.236 -0.570 5.337) 6.838 23.567 ( 3.411 0.870 4.647) 5.829 23.628 ( -1.364 -0.672 4.781) 5.017 25.854 ( -0.487 1.710 -17.746) 17.835 25.907 ( -5.621 -2.448 -17.511) 18.553 26.704 ( 5.719 4.120 -8.786) 11.264 26.748 ( 5.818 0.547 -9.050) 10.772 27.802 ( 13.143 -1.693 -10.760) 17.070 28.078 ( -14.209 -1.204 -7.942) 16.322 29.233 ( -2.698 9.533 13.324) 16.604 29.355 ( -3.383 5.346 21.357) 22.274 29.494 ( 5.172 -7.287 19.380) 21.341 29.706 ( -14.641 -6.117 16.021) 22.549 30.614 ( 3.686 0.078 -8.951) 9.680 30.643 ( -0.035 -0.350 -4.682) 4.695 31.656 ( 18.909 0.583 2.265) 19.053 31.908 ( -6.440 1.745 1.205) 6.780 32.314 ( 1.346 3.266 18.289) 18.628 32.441 ( -6.833 1.916 15.419) 16.973 34.027 ( 5.496 14.562 2.986) 15.848 34.168 ( -7.709 17.409 1.175) 19.076 34.626 ( 7.495 -7.886 -13.232) 17.130 34.874 ( -5.538 -22.834 -10.376) 25.685 35.614 ( 7.013 4.892 4.656) 9.736 35.832 ( -5.435 -5.695 5.744) 9.745 ======================= Grid point 110 (37/126) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.000 0.000 15.433) 15.433 1.495 ( 0.000 0.000 0.793) 0.793 1.558 ( 0.000 0.000 26.908) 26.908 2.094 ( 0.000 0.000 10.099) 10.099 2.329 ( 0.000 0.000 29.358) 29.358 2.875 ( 0.000 0.000 -11.340) 11.340 3.184 ( 0.000 0.000 40.689) 40.689 3.983 ( 0.000 0.000 21.037) 21.037 5.392 ( 0.000 0.000 28.480) 28.480 5.514 ( 0.000 0.000 56.668) 56.668 6.326 ( 0.000 0.000 41.831) 41.831 6.807 ( 0.000 0.000 -16.927) 16.927 7.170 ( 0.000 0.000 -3.811) 3.811 7.503 ( 0.000 0.000 -1.611) 1.611 7.578 ( 0.000 0.000 -0.090) 0.090 7.798 ( 0.000 0.000 -6.800) 6.800 8.317 ( 0.000 0.000 -9.626) 9.626 9.389 ( 0.000 0.000 3.370) 3.370 9.892 ( 0.000 0.000 32.713) 32.713 10.364 ( 0.000 0.000 6.165) 6.165 11.570 ( 0.000 0.000 -17.377) 17.377 12.203 ( 0.000 0.000 -6.512) 6.512 12.694 ( 0.000 0.000 2.202) 2.202 12.742 ( 0.000 0.000 5.325) 5.325 13.874 ( 0.000 0.000 -10.479) 10.479 14.009 ( 0.000 0.000 -10.205) 10.205 14.446 ( 0.000 0.000 -8.187) 8.187 14.646 ( 0.000 0.000 -3.068) 3.068 15.653 ( 0.000 0.000 -9.729) 9.729 16.031 ( 0.000 0.000 24.230) 24.230 16.551 ( 0.000 0.000 -3.002) 3.002 17.416 ( 0.000 0.000 -8.896) 8.896 17.767 ( 0.000 0.000 9.854) 9.854 17.951 ( 0.000 0.000 9.217) 9.217 18.192 ( 0.000 0.000 -12.562) 12.562 18.276 ( 0.000 0.000 4.402) 4.402 18.796 ( 0.000 0.000 -21.345) 21.345 19.130 ( 0.000 0.000 1.119) 1.119 19.458 ( 0.000 0.000 10.746) 10.746 20.643 ( 0.000 0.000 -13.368) 13.368 20.785 ( 0.000 0.000 -13.570) 13.570 20.972 ( 0.000 0.000 -10.184) 10.184 22.413 ( 0.000 0.000 -27.302) 27.302 22.460 ( 0.000 0.000 -3.986) 3.986 22.594 ( 0.000 0.000 -28.676) 28.676 23.067 ( 0.000 0.000 -12.543) 12.543 23.671 ( 0.000 0.000 11.597) 11.597 23.871 ( 0.000 0.000 -2.248) 2.248 24.095 ( 0.000 0.000 -3.256) 3.256 24.995 ( 0.000 0.000 -6.480) 6.480 25.323 ( 0.000 0.000 -20.169) 20.169 25.402 ( 0.000 0.000 -29.513) 29.513 26.620 ( 0.000 0.000 13.849) 13.849 27.432 ( 0.000 0.000 10.608) 10.608 27.460 ( 0.000 0.000 -3.088) 3.088 27.825 ( 0.000 0.000 15.313) 15.313 28.985 ( 0.000 0.000 9.936) 9.936 29.032 ( 0.000 0.000 26.440) 26.440 30.015 ( 0.000 0.000 9.644) 9.644 30.052 ( 0.000 0.000 4.528) 4.528 30.131 ( 0.000 0.000 3.421) 3.421 30.616 ( 0.000 0.000 0.688) 0.688 30.764 ( 0.000 0.000 -9.334) 9.334 31.691 ( 0.000 0.000 -3.863) 3.863 32.195 ( 0.000 0.000 7.364) 7.364 32.217 ( 0.000 0.000 14.348) 14.348 32.497 ( 0.000 0.000 28.182) 28.182 32.714 ( 0.000 0.000 18.948) 18.948 34.156 ( 0.000 0.000 21.709) 21.709 35.111 ( 0.000 0.000 0.484) 0.484 35.982 ( 0.000 0.000 -4.523) 4.523 38.260 ( 0.000 0.000 -38.686) 38.686 ======================= Grid point 111 (38/126) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 4.615 0.000 10.755) 11.703 1.451 ( -1.798 0.000 5.394) 5.686 1.657 ( 7.493 0.000 16.749) 18.349 2.068 ( -3.087 0.000 9.537) 10.024 2.424 ( 9.590 0.000 23.104) 25.016 2.846 ( -2.666 0.000 -9.089) 9.472 3.369 ( 19.401 0.000 39.575) 44.074 4.141 ( 16.339 0.000 23.042) 28.247 5.120 ( -25.222 0.000 28.444) 38.016 5.652 ( 13.171 0.000 52.012) 53.654 5.913 ( -34.953 0.000 26.518) 43.874 6.803 ( -8.576 0.000 3.771) 9.368 7.178 ( 0.773 0.000 -1.508) 1.695 7.321 ( -7.166 0.000 1.207) 7.267 7.842 ( 14.773 0.000 -1.323) 14.832 7.880 ( 7.483 0.000 -5.881) 9.518 8.481 ( 16.368 0.000 -8.362) 18.380 9.422 ( -0.640 0.000 12.577) 12.593 9.806 ( -3.780 0.000 15.384) 15.842 10.305 ( -6.127 0.000 6.614) 9.015 11.626 ( 4.773 0.000 -11.959) 12.877 12.147 ( -6.946 0.000 -6.965) 9.837 12.569 ( -9.813 0.000 0.010) 9.813 12.581 ( -12.514 0.000 4.178) 13.193 14.078 ( 17.992 0.000 -9.286) 20.247 14.257 ( 21.628 0.000 -10.594) 24.084 14.468 ( 2.746 0.000 -8.328) 8.769 14.612 ( -2.645 0.000 -2.953) 3.964 15.576 ( -6.884 0.000 -9.566) 11.786 16.185 ( 15.686 0.000 22.791) 27.667 16.324 ( -21.201 0.000 -7.079) 22.352 17.491 ( 1.868 0.000 -7.376) 7.608 17.685 ( -25.643 0.000 9.563) 27.369 17.770 ( -0.494 0.000 9.247) 9.260 18.038 ( 9.731 0.000 9.354) 13.498 18.624 ( 9.733 0.000 -9.408) 13.537 18.823 ( 2.810 0.000 -19.561) 19.761 19.086 ( -4.610 0.000 5.293) 7.020 19.553 ( 11.649 0.000 -0.394) 11.656 20.595 ( -15.888 0.000 -15.437) 22.152 20.702 ( 6.550 0.000 -11.793) 13.490 21.042 ( 2.776 0.000 -8.926) 9.348 22.391 ( -2.283 0.000 -25.348) 25.450 22.399 ( -4.492 0.000 -11.331) 12.189 22.656 ( 4.899 0.000 -20.062) 20.652 22.997 ( -6.664 0.000 -9.845) 11.888 23.711 ( 4.419 0.000 11.789) 12.590 23.912 ( 3.761 0.000 -1.196) 3.947 24.093 ( -0.294 0.000 -2.717) 2.733 24.638 ( -29.374 0.000 8.992) 30.719 25.348 ( 0.631 0.000 -21.700) 21.709 25.390 ( -1.181 0.000 -29.494) 29.517 26.573 ( 0.753 0.000 6.479) 6.523 27.293 ( -14.930 0.000 -1.463) 15.001 27.549 ( 9.329 0.000 13.294) 16.241 27.877 ( 2.507 0.000 14.585) 14.799 28.984 ( -0.350 0.000 10.636) 10.642 28.994 ( -3.149 0.000 23.668) 23.876 29.982 ( 0.002 0.000 3.251) 3.251 30.115 ( -1.742 0.000 2.553) 3.091 30.164 ( 7.183 0.000 8.432) 11.076 30.537 ( -6.291 0.000 2.081) 6.626 30.914 ( 13.352 0.000 -8.508) 15.833 31.640 ( -5.934 0.000 -5.964) 8.413 32.231 ( 3.469 0.000 7.982) 8.703 32.261 ( 3.462 0.000 13.598) 14.032 32.497 ( 0.193 0.000 27.270) 27.270 32.675 ( -3.849 0.000 19.561) 19.936 34.204 ( 5.030 0.000 22.131) 22.696 34.798 ( -18.810 0.000 17.069) 25.400 36.665 ( 50.700 0.000 -34.525) 61.339 38.188 ( -7.976 0.000 -40.050) 40.837 ======================= Grid point 112 (39/126) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 2.837 0.000 4.812) 5.586 1.434 ( -0.656 0.000 3.222) 3.288 1.812 ( 9.133 0.000 11.404) 14.611 1.971 ( -7.392 0.000 9.040) 11.677 2.623 ( 10.358 0.000 8.274) 13.257 2.773 ( -5.760 0.000 -3.355) 6.666 3.861 ( 32.422 0.000 36.750) 49.007 4.434 ( -12.331 0.000 33.280) 35.491 4.676 ( 6.362 0.000 21.997) 22.898 5.227 ( -36.896 0.000 22.778) 43.361 6.002 ( 24.001 0.000 39.943) 46.599 6.470 ( -24.508 0.000 22.121) 33.015 7.199 ( 1.664 0.000 2.216) 2.771 7.241 ( -2.847 0.000 3.546) 4.548 8.009 ( 5.062 0.000 -2.978) 5.873 8.024 ( 4.290 0.000 -1.069) 4.421 8.848 ( 21.601 0.000 -3.056) 21.816 9.224 ( -18.035 0.000 9.933) 20.589 9.919 ( 12.659 0.000 3.075) 13.027 10.148 ( -10.862 0.000 5.844) 12.334 11.730 ( 7.577 0.000 -5.737) 9.504 11.935 ( -13.879 0.000 -5.499) 14.929 12.432 ( -3.170 0.000 1.067) 3.345 12.437 ( -3.627 0.000 -1.259) 3.839 14.369 ( 9.916 0.000 -6.483) 11.847 14.471 ( -2.063 0.000 -5.982) 6.328 14.582 ( 10.326 0.000 -10.754) 14.909 14.675 ( 6.068 0.000 -10.808) 12.394 15.526 ( 7.123 0.000 -9.380) 11.778 15.874 ( -25.438 0.000 -10.856) 27.657 16.567 ( 24.913 0.000 19.520) 31.649 17.075 ( -29.445 0.000 13.253) 32.290 17.659 ( 5.309 0.000 3.776) 6.515 17.737 ( -3.070 0.000 6.918) 7.568 18.289 ( 16.273 0.000 8.933) 18.563 18.574 ( -12.281 0.000 1.694) 12.397 18.893 ( 4.556 0.000 -13.866) 14.595 18.986 ( -5.473 0.000 -2.343) 5.954 19.874 ( 20.873 0.000 -14.413) 25.366 20.259 ( -20.100 0.000 -17.151) 26.423 20.867 ( 10.064 0.000 -9.441) 13.799 21.019 ( -5.327 0.000 -8.389) 9.937 22.338 ( -1.544 0.000 -15.607) 15.683 22.345 ( -2.001 0.000 -20.217) 20.316 22.751 ( 5.516 0.000 -13.152) 14.262 22.864 ( -6.902 0.000 -8.705) 11.109 23.838 ( 9.363 0.000 13.273) 16.244 23.969 ( 0.277 0.000 4.593) 4.602 24.082 ( -0.686 0.000 -1.831) 1.955 24.176 ( -16.964 0.000 9.928) 19.655 25.351 ( 0.278 0.000 -25.732) 25.733 25.366 ( -1.266 0.000 -28.681) 28.709 26.706 ( 12.515 0.000 0.093) 12.516 26.987 ( -16.983 0.000 -1.054) 17.016 27.721 ( 8.964 0.000 15.909) 18.261 27.856 ( -4.856 0.000 15.879) 16.605 28.956 ( -0.435 0.000 18.238) 18.243 28.968 ( -1.157 0.000 13.590) 13.639 30.011 ( 2.748 0.000 0.521) 2.797 30.069 ( -3.127 0.000 0.833) 3.236 30.288 ( 6.524 0.000 8.312) 10.567 30.412 ( -6.934 0.000 5.665) 8.954 31.196 ( 16.033 0.000 -7.972) 17.905 31.467 ( -12.616 0.000 -7.516) 14.685 32.295 ( 2.529 0.000 10.276) 10.583 32.307 ( 1.141 0.000 12.834) 12.885 32.518 ( 2.510 0.000 24.303) 24.432 32.590 ( -4.840 0.000 20.922) 21.474 34.333 ( 8.756 0.000 22.864) 24.483 34.523 ( -12.025 0.000 22.510) 25.521 37.472 ( 34.647 0.000 -46.700) 58.149 37.951 ( -18.475 0.000 -43.809) 47.545 ======================= Grid point 115 (40/126) ======================= q-point: ( 0.00 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.000 5.753 8.947) 10.637 1.581 ( 0.000 7.849 1.476) 7.987 1.674 ( 0.000 10.087 20.551) 22.892 2.127 ( 0.000 1.789 8.840) 9.019 2.404 ( 0.000 6.685 21.304) 22.329 2.813 ( 0.000 -5.513 -10.178) 11.576 3.690 ( 0.000 41.600 32.446) 52.757 4.094 ( 0.000 10.967 21.629) 24.251 5.612 ( 0.000 11.583 55.016) 56.222 5.634 ( 0.000 21.303 23.154) 31.464 6.527 ( 0.000 18.827 44.296) 48.131 6.686 ( 0.000 -11.302 -16.527) 20.022 7.128 ( 0.000 -2.836 -1.753) 3.334 7.352 ( 0.000 -8.304 -6.168) 10.344 7.501 ( 0.000 -0.195 2.072) 2.081 7.993 ( 0.000 13.759 -0.307) 13.762 8.682 ( 0.000 23.834 -4.230) 24.206 9.443 ( 0.000 4.960 4.290) 6.558 9.708 ( 0.000 -8.478 23.594) 25.071 10.574 ( 0.000 14.506 8.048) 16.589 11.585 ( 0.000 1.130 -15.795) 15.835 12.123 ( 0.000 -5.801 -6.555) 8.753 12.726 ( 0.000 -2.053 4.828) 5.246 12.837 ( 0.000 11.233 1.844) 11.384 13.830 ( 0.000 -4.296 -9.338) 10.279 13.867 ( 0.000 -10.535 -13.016) 16.745 14.461 ( 0.000 -1.157 -4.804) 4.941 14.588 ( 0.000 -5.449 -1.386) 5.622 15.638 ( 0.000 -1.703 -10.133) 10.275 15.986 ( 0.000 -3.068 21.494) 21.712 16.546 ( 0.000 -0.679 -1.268) 1.438 17.220 ( 0.000 -22.304 -3.478) 22.574 17.600 ( 0.000 -5.527 -3.165) 6.370 17.663 ( 0.000 -17.942 6.550) 19.101 18.324 ( 0.000 6.651 -9.068) 11.245 18.465 ( 0.000 9.861 4.566) 10.867 19.010 ( 0.000 18.888 -14.974) 24.104 19.082 ( 0.000 -3.854 -0.195) 3.859 19.425 ( 0.000 -3.341 7.399) 8.118 20.598 ( 0.000 -3.679 -14.755) 15.207 20.961 ( 0.000 13.230 -13.007) 18.553 20.980 ( 0.000 0.407 -10.750) 10.758 22.223 ( 0.000 -11.480 -17.637) 21.044 22.402 ( 0.000 -16.185 -21.034) 26.540 22.571 ( 0.000 4.027 -13.230) 13.829 23.040 ( 0.000 -3.036 -12.275) 12.645 23.562 ( 0.000 -6.766 6.465) 9.359 23.840 ( 0.000 -15.098 -1.275) 15.152 23.993 ( 0.000 7.067 6.910) 9.884 24.870 ( 0.000 -23.432 -2.295) 23.544 25.336 ( 0.000 1.670 -20.457) 20.525 25.461 ( 0.000 10.509 -24.885) 27.013 26.393 ( 0.000 -15.496 10.576) 18.761 27.088 ( 0.000 -22.292 8.356) 23.807 27.704 ( 0.000 15.756 -14.188) 21.202 27.960 ( 0.000 3.071 9.898) 10.364 29.060 ( 0.000 7.482 13.210) 15.181 29.154 ( 0.000 11.588 23.799) 26.470 29.895 ( 0.000 -7.677 5.371) 9.369 29.999 ( 0.000 -0.206 5.489) 5.492 30.190 ( 0.000 3.614 4.961) 6.138 30.847 ( 0.000 16.749 5.514) 17.633 30.923 ( 0.000 12.086 -3.363) 12.545 31.674 ( 0.000 -3.151 6.398) 7.132 32.176 ( 0.000 0.157 14.339) 14.339 32.339 ( 0.000 10.773 6.008) 12.335 32.645 ( 0.000 10.531 14.639) 18.034 32.784 ( 0.000 8.540 13.500) 15.975 34.240 ( 0.000 7.404 18.391) 19.825 35.125 ( 0.000 1.523 2.016) 2.527 35.793 ( 0.000 -14.651 -0.138) 14.652 38.076 ( 0.000 -18.192 -35.270) 39.686 ======================= Grid point 116 (41/126) ======================= q-point: ( 0.20 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 3.605 5.404 6.189) 8.972 1.576 ( -0.124 9.257 2.531) 9.597 1.730 ( 5.421 7.259 15.820) 18.230 2.095 ( -3.637 1.646 8.292) 9.203 2.476 ( 7.173 4.436 16.306) 18.358 2.799 ( -1.724 -4.595 -8.710) 9.998 3.814 ( 14.140 36.615 31.786) 50.507 4.257 ( 16.665 12.201 24.291) 31.885 5.372 ( -23.775 21.890 22.645) 39.462 5.742 ( 10.035 10.510 48.579) 50.706 5.994 ( -34.556 6.527 22.687) 41.850 6.792 ( -6.109 0.206 8.163) 10.198 7.132 ( -0.287 3.352 4.772) 5.839 7.428 ( 5.177 1.134 -1.308) 5.459 7.678 ( 16.869 -4.053 0.521) 17.357 7.997 ( 1.546 8.108 -2.276) 8.562 8.780 ( 8.832 21.709 -3.813) 23.745 9.348 ( -8.970 -7.413 17.131) 20.710 9.810 ( 10.282 5.655 7.326) 13.834 10.494 ( -7.800 14.673 5.995) 17.665 11.626 ( 3.269 0.132 -11.580) 12.034 12.130 ( -0.042 -2.801 -6.800) 7.354 12.427 ( -19.416 -3.854 1.154) 19.828 12.811 ( -8.356 12.324 3.729) 15.350 13.940 ( 12.696 -12.568 -11.967) 21.503 14.057 ( 11.763 -12.999 -10.171) 20.268 14.547 ( 8.218 1.375 -3.952) 9.222 14.601 ( 4.148 -1.429 -2.823) 5.217 15.555 ( -7.681 -2.349 -9.292) 12.283 16.099 ( 9.318 -5.943 17.271) 20.504 16.343 ( -16.605 0.568 -3.027) 16.888 17.212 ( -6.359 -23.863 4.578) 25.117 17.527 ( -1.622 0.262 -3.405) 3.780 17.785 ( 9.404 -15.569 4.113) 18.648 18.156 ( -7.430 12.237 9.247) 17.043 18.574 ( 1.967 -0.631 -9.641) 9.859 18.938 ( -4.563 4.154 -7.696) 9.864 19.212 ( 5.276 12.842 -4.243) 14.518 19.513 ( 13.390 -3.004 -1.759) 13.835 20.621 ( -3.994 -2.152 -11.670) 12.521 20.746 ( -6.767 6.543 -15.069) 17.768 21.099 ( 2.874 4.923 -9.657) 11.214 22.192 ( -2.606 -10.640 -18.866) 21.816 22.429 ( 2.052 -17.095 -17.206) 24.341 22.549 ( -2.206 4.261 -12.875) 13.740 22.963 ( -6.596 -3.944 -9.615) 12.309 23.600 ( 3.317 -6.643 5.125) 9.022 23.825 ( -1.381 -13.859 -1.188) 13.978 24.047 ( 5.275 6.489 8.233) 11.735 24.705 ( -15.384 -10.545 4.611) 19.213 25.316 ( -1.367 -1.414 -22.245) 22.332 25.426 ( -3.910 8.394 -23.970) 25.696 26.387 ( 2.096 -13.428 5.690) 14.734 27.066 ( -3.689 -19.384 4.456) 20.228 27.635 ( -3.690 10.609 -3.261) 11.696 27.995 ( 1.863 2.785 7.017) 7.776 29.002 ( -5.586 5.783 16.404) 18.268 29.097 ( -4.583 7.344 20.764) 22.496 29.890 ( 3.601 -4.769 2.621) 6.525 30.112 ( 3.530 1.117 3.282) 4.947 30.215 ( 4.666 3.682 8.992) 10.779 30.776 ( -5.200 18.026 4.910) 19.393 31.034 ( 9.302 9.848 -4.211) 14.186 31.627 ( -4.981 -2.800 2.921) 6.417 32.228 ( 4.211 0.635 14.183) 14.809 32.378 ( 4.156 10.768 7.494) 13.762 32.613 ( -3.046 8.501 16.111) 18.469 32.744 ( -3.898 8.461 15.399) 17.998 34.289 ( 5.020 7.562 18.586) 20.684 34.855 ( -16.188 5.606 15.074) 22.818 36.387 ( 45.001 -22.899 -24.650) 56.188 38.002 ( -8.097 -18.421 -35.999) 41.241 ======================= Grid point 117 (42/126) ======================= q-point: ( 0.40 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 2.151 5.256 1.986) 6.017 1.578 ( 0.185 9.604 2.145) 9.842 1.856 ( 7.695 4.140 10.549) 13.698 1.996 ( -6.804 2.189 8.349) 10.990 2.624 ( 7.671 -0.070 5.572) 9.481 2.742 ( -4.495 -2.799 -3.711) 6.466 4.207 ( 27.276 28.500 28.605) 48.728 4.631 ( 12.696 15.203 29.906) 35.870 4.872 ( -17.220 20.502 20.150) 33.510 5.303 ( -34.627 8.054 22.908) 42.293 6.086 ( 21.702 9.552 38.105) 44.880 6.516 ( -21.038 5.205 20.094) 29.555 7.119 ( -0.537 2.598 8.086) 8.510 7.490 ( 1.375 10.635 6.768) 12.681 7.948 ( 10.023 0.186 -1.511) 10.138 8.040 ( 0.864 0.263 -2.674) 2.823 8.959 ( 10.301 10.341 0.427) 14.602 9.159 ( -10.736 -5.782 11.758) 16.940 10.050 ( 14.143 12.072 2.450) 18.755 10.314 ( -11.372 15.012 3.093) 19.085 11.682 ( 2.772 -2.671 -6.546) 7.594 11.999 ( -10.786 0.094 -3.719) 11.410 12.280 ( 1.659 -0.870 -2.819) 3.384 12.640 ( -7.026 8.856 2.448) 11.567 14.137 ( 6.375 -18.332 -9.737) 21.714 14.185 ( 1.996 -17.670 -9.327) 20.080 14.672 ( 7.801 2.470 -5.367) 9.785 14.787 ( 6.588 3.441 -7.370) 10.467 15.462 ( 1.483 -5.834 -7.097) 9.306 15.895 ( -19.223 0.850 -8.744) 21.136 16.431 ( 14.883 -8.647 14.735) 22.658 16.960 ( -15.588 -11.650 12.088) 22.909 17.572 ( 3.189 3.250 -0.846) 4.631 17.883 ( 0.005 -6.686 6.474) 9.307 18.193 ( 11.136 -2.751 9.351) 14.800 18.478 ( -11.003 -3.408 1.363) 11.599 18.891 ( -0.513 4.372 -13.401) 14.105 19.214 ( -1.711 10.530 -5.564) 12.032 19.888 ( 23.111 2.896 -11.878) 26.145 20.316 ( -21.157 4.815 -14.580) 26.142 20.844 ( 7.858 -2.124 -10.618) 13.379 21.082 ( -3.623 4.883 -8.889) 10.770 22.153 ( -1.232 -9.554 -19.954) 22.158 22.447 ( -0.290 -15.580 -5.011) 16.369 22.516 ( -0.624 1.121 -17.806) 17.852 22.865 ( -2.976 -3.890 -8.851) 10.115 23.656 ( 2.170 -8.687 4.154) 9.871 23.797 ( -1.343 -10.891 -0.950) 11.014 24.168 ( 7.079 4.572 10.740) 13.651 24.427 ( -12.016 5.665 9.738) 16.472 25.303 ( 0.105 -1.326 -23.864) 23.901 25.352 ( -3.007 -0.005 -25.963) 26.137 26.482 ( 5.724 -13.405 0.738) 14.595 26.953 ( -6.224 -9.556 -1.438) 11.495 27.625 ( 1.337 1.066 7.286) 7.484 27.997 ( -1.046 3.219 5.714) 6.641 28.939 ( -0.000 1.447 19.091) 19.146 29.002 ( -5.053 3.268 17.970) 18.951 29.997 ( 6.251 1.294 -1.075) 6.473 30.096 ( -3.305 1.578 2.055) 4.200 30.330 ( 5.360 2.990 14.475) 15.723 30.659 ( -6.000 19.899 4.007) 21.167 31.253 ( 13.450 5.053 -5.019) 15.219 31.485 ( -10.472 0.341 -1.806) 10.632 32.289 ( 1.977 2.315 12.577) 12.940 32.465 ( 3.428 9.404 11.005) 14.876 32.572 ( 0.385 6.011 19.104) 20.031 32.655 ( -5.288 8.293 16.365) 19.094 34.407 ( 7.006 6.502 18.377) 20.714 34.619 ( -9.563 9.520 20.151) 24.251 37.109 ( 28.260 -30.385 -39.018) 56.959 37.789 ( -13.312 -17.252 -37.310) 43.208 ======================= Grid point 120 (43/126) ======================= q-point: ( 0.00 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 0.000 12.610 0.402) 12.616 1.765 ( 0.000 9.299 0.985) 9.351 1.895 ( 0.000 9.923 9.713) 13.886 2.151 ( 0.000 0.941 7.563) 7.622 2.536 ( 0.000 4.977 6.895) 8.503 2.677 ( 0.000 -7.196 -7.882) 10.673 4.437 ( 0.000 22.587 21.437) 31.140 4.553 ( 0.000 38.081 31.720) 49.561 5.984 ( 0.000 17.212 21.447) 27.499 6.119 ( 0.000 22.846 13.913) 26.749 6.467 ( 0.000 -2.548 2.120) 3.315 6.900 ( 0.000 9.457 34.513) 35.786 7.154 ( 0.000 6.012 4.166) 7.314 7.410 ( 0.000 20.024 4.099) 20.440 7.602 ( 0.000 9.734 4.875) 10.887 8.320 ( 0.000 20.245 8.631) 22.008 8.896 ( 0.000 -2.110 22.436) 22.535 9.569 ( 0.000 6.878 5.799) 8.997 9.877 ( 0.000 24.189 -3.186) 24.398 10.874 ( 0.000 14.634 2.875) 14.914 11.584 ( 0.000 -2.608 -10.483) 10.802 12.014 ( 0.000 -4.302 -4.003) 5.876 12.618 ( 0.000 -9.397 3.204) 9.928 13.053 ( 0.000 8.053 -1.694) 8.230 13.684 ( 0.000 -10.317 -6.865) 12.393 13.735 ( 0.000 0.944 -15.541) 15.570 14.330 ( 0.000 -11.835 -0.789) 11.862 14.459 ( 0.000 -6.082 6.450) 8.865 15.574 ( 0.000 -4.590 -9.320) 10.389 15.965 ( 0.000 1.413 17.975) 18.030 16.515 ( 0.000 -2.196 3.090) 3.791 16.658 ( 0.000 -29.135 -8.886) 30.460 17.371 ( 0.000 -9.526 0.267) 9.530 17.490 ( 0.000 -7.804 -4.218) 8.871 18.446 ( 0.000 5.633 -7.338) 9.251 18.602 ( 0.000 3.737 2.241) 4.357 18.996 ( 0.000 -4.543 -4.300) 6.255 19.295 ( 0.000 -5.502 2.037) 5.867 19.476 ( 0.000 21.258 -11.496) 24.167 20.479 ( 0.000 -8.361 -15.763) 17.844 20.963 ( 0.000 -2.804 -12.886) 13.187 21.192 ( 0.000 7.169 -8.954) 11.470 21.976 ( 0.000 -12.613 -17.233) 21.356 22.066 ( 0.000 -14.694 -17.499) 22.850 22.608 ( 0.000 -0.223 -9.519) 9.522 22.921 ( 0.000 -9.065 -6.009) 10.876 23.449 ( 0.000 -3.968 4.545) 6.033 23.612 ( 0.000 -7.856 -4.146) 8.883 24.060 ( 0.000 -1.198 17.508) 17.549 24.268 ( 0.000 -29.300 6.043) 29.916 25.412 ( 0.000 6.097 -21.792) 22.629 25.638 ( 0.000 5.022 -18.633) 19.298 26.111 ( 0.000 -11.062 -1.235) 11.131 26.707 ( 0.000 -13.698 1.937) 13.834 27.878 ( 0.000 -9.512 0.343) 9.518 27.964 ( 0.000 9.762 -17.572) 20.101 29.252 ( 0.000 9.742 16.511) 19.171 29.459 ( 0.000 16.461 19.409) 25.449 29.771 ( 0.000 -3.800 5.958) 7.066 30.062 ( 0.000 4.868 7.010) 8.535 30.261 ( 0.000 3.178 5.273) 6.157 31.112 ( 0.000 4.441 6.343) 7.743 31.217 ( 0.000 19.239 6.623) 20.347 31.549 ( 0.000 -8.369 17.168) 19.099 32.256 ( 0.000 8.445 14.593) 16.861 32.645 ( 0.000 18.664 1.299) 18.710 32.780 ( 0.000 4.117 14.909) 15.467 33.073 ( 0.000 16.110 -0.648) 16.123 34.404 ( 0.000 7.134 10.015) 12.296 35.185 ( 0.000 4.751 6.538) 8.082 35.525 ( 0.000 -10.109 -1.820) 10.272 37.546 ( 0.000 -32.160 -25.155) 40.829 ======================= Grid point 121 (44/126) ======================= q-point: ( 0.20 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 2.641 11.871 -0.588) 12.175 1.767 ( 0.250 9.082 1.159) 9.159 1.910 ( 1.791 8.747 8.914) 12.617 2.124 ( -2.933 1.384 7.014) 7.728 2.558 ( 2.425 2.713 4.739) 5.975 2.682 ( 0.112 -6.181 -6.753) 9.155 4.465 ( 6.814 24.662 20.376) 32.708 4.746 ( 16.925 33.199 32.364) 49.356 5.794 ( -25.009 10.850 1.914) 27.328 6.046 ( -10.838 16.352 22.353) 29.740 6.226 ( -6.388 21.130 28.629) 36.151 6.863 ( -4.291 8.337 12.465) 15.598 7.300 ( 7.151 2.446 9.767) 12.349 7.500 ( -2.347 13.927 11.036) 17.924 7.707 ( 20.328 10.691 5.887) 23.710 8.302 ( -0.159 22.801 6.187) 23.626 9.005 ( 7.914 -3.199 20.930) 22.604 9.349 ( -15.353 11.651 2.473) 19.431 10.090 ( 15.968 20.287 -1.403) 25.856 10.814 ( -5.655 15.629 2.426) 16.797 11.629 ( 2.294 -0.387 -9.367) 9.651 12.021 ( 0.594 -6.885 -3.169) 7.602 12.367 ( -16.669 -4.653 0.575) 17.315 13.033 ( -8.614 7.530 2.664) 11.747 13.674 ( 3.403 -12.402 -12.477) 17.918 13.815 ( 4.595 -6.824 -10.357) 13.226 14.463 ( 9.816 -10.373 1.914) 14.409 14.523 ( 9.231 -5.644 0.974) 10.863 15.471 ( -9.474 -5.858 -7.698) 13.540 16.016 ( 1.729 -1.719 13.400) 13.620 16.317 ( -10.150 -3.457 -1.237) 10.794 16.798 ( 4.992 -15.921 -4.483) 17.277 17.347 ( 0.891 -14.852 3.829) 15.363 17.569 ( 6.873 -6.720 -5.253) 10.954 18.310 ( -10.851 4.216 5.781) 12.998 18.613 ( -1.979 2.556 -3.230) 4.570 18.971 ( -0.356 0.159 -9.316) 9.324 19.336 ( -0.041 -4.665 -8.437) 9.641 19.637 ( 17.988 17.468 -5.583) 25.688 20.498 ( 0.910 -9.390 -12.876) 15.962 20.864 ( -8.533 2.674 -12.388) 15.278 21.199 ( -0.150 3.612 -9.096) 9.789 21.964 ( -1.286 -12.121 -19.297) 22.824 22.061 ( -0.646 -16.102 -13.500) 21.022 22.606 ( -0.236 0.598 -10.456) 10.475 22.830 ( -7.607 -8.676 -3.508) 12.061 23.484 ( 2.456 -4.756 2.262) 5.811 23.619 ( 0.835 -6.970 -4.007) 8.083 24.049 ( -1.322 -9.091 13.882) 16.647 24.296 ( 2.830 -19.693 12.023) 23.246 25.317 ( -5.316 2.050 -20.977) 21.737 25.653 ( -4.767 10.297 -22.765) 25.436 26.140 ( 6.144 -9.741 -0.161) 11.518 26.717 ( 0.461 -12.849 1.628) 12.960 27.813 ( -6.841 2.257 -10.419) 12.667 27.947 ( -0.033 -2.272 -5.405) 5.863 29.194 ( -7.276 10.705 18.781) 22.809 29.286 ( -12.496 10.504 18.292) 24.517 29.837 ( 8.392 -0.266 6.539) 10.642 30.182 ( 5.075 4.845 0.424) 7.030 30.282 ( 3.984 2.724 12.815) 13.693 31.112 ( 0.402 8.383 9.838) 12.932 31.246 ( 0.817 13.270 2.961) 13.621 31.540 ( 0.263 -3.760 10.890) 11.524 32.281 ( 2.272 5.318 16.978) 17.936 32.650 ( -0.827 12.888 5.013) 13.853 32.773 ( 0.661 10.141 12.801) 16.344 33.027 ( -4.275 16.663 2.351) 17.363 34.460 ( 5.239 7.775 9.668) 13.467 35.023 ( -9.609 10.452 10.486) 17.650 35.906 ( 30.289 -21.676 -13.132) 39.494 37.470 ( -8.066 -31.951 -24.838) 41.266 ======================= Grid point 122 (45/126) ======================= q-point: ( 0.40 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 1.700 10.791 -2.335) 11.171 1.771 ( 0.114 8.660 1.459) 8.783 1.963 ( 3.801 5.683 7.528) 10.169 2.052 ( -4.413 3.167 6.584) 8.535 2.612 ( 2.814 -1.239 0.343) 3.094 2.670 ( -1.396 -4.024 -4.052) 5.878 4.721 ( 20.397 20.077 15.881) 32.731 5.073 ( 6.398 24.787 26.552) 36.882 5.301 ( -12.621 18.167 14.292) 26.336 5.638 ( -25.674 24.389 29.020) 45.784 6.388 ( 14.865 15.640 18.020) 28.113 6.702 ( -13.087 15.924 14.673) 25.301 7.288 ( -3.311 7.462 17.775) 19.561 7.557 ( 4.801 -0.736 9.939) 11.062 8.038 ( 11.477 17.517 6.760) 22.006 8.327 ( 1.518 25.838 4.943) 26.351 9.001 ( -6.715 -6.054 11.015) 14.250 9.222 ( 1.427 11.284 5.972) 12.846 10.374 ( 13.005 18.699 0.046) 22.777 10.686 ( -7.610 19.430 1.089) 20.895 11.644 ( 1.143 -1.696 -5.075) 5.472 11.868 ( -12.317 -9.168 -2.213) 15.513 12.373 ( 13.041 3.383 -2.921) 13.786 12.770 ( -16.163 3.227 1.913) 16.593 13.743 ( 2.361 -16.652 -8.119) 18.675 13.874 ( 1.544 -11.110 -9.617) 14.775 14.620 ( 7.338 -8.034 -0.163) 10.882 14.728 ( 7.070 -9.195 -2.660) 11.900 15.316 ( -4.822 -7.455 -4.878) 10.130 15.875 ( -10.247 -1.905 -0.914) 10.463 16.353 ( 8.138 1.224 3.072) 8.784 16.748 ( -6.997 -6.854 1.751) 9.949 17.469 ( 8.934 -21.776 4.852) 24.033 17.669 ( 1.945 -4.096 -6.484) 7.912 18.131 ( -6.468 -2.133 10.395) 12.427 18.537 ( -4.038 4.042 6.160) 8.402 18.997 ( 1.887 5.686 -19.568) 20.464 19.300 ( -2.267 -1.411 -12.943) 13.216 20.032 ( 22.305 9.975 -7.075) 25.437 20.392 ( -14.666 0.613 -9.879) 17.694 20.778 ( 0.386 -4.110 -9.519) 10.376 21.174 ( -1.839 3.524 -9.321) 10.133 21.941 ( -0.756 -11.965 -22.279) 25.300 22.042 ( -1.007 -17.949 -6.848) 19.238 22.602 ( -0.166 2.846 -13.227) 13.531 22.719 ( -3.348 -9.161 -0.952) 9.800 23.513 ( 0.686 -5.991 0.493) 6.050 23.635 ( 0.554 -5.782 -4.052) 7.082 24.024 ( -0.934 -15.659 8.152) 17.679 24.347 ( 1.880 -10.802 22.458) 24.992 25.300 ( 3.824 2.635 -24.535) 24.970 25.471 ( -11.231 7.710 -20.629) 24.721 26.300 ( 7.392 -3.913 -5.145) 9.819 26.703 ( -1.679 -11.215 1.661) 11.461 27.717 ( -2.342 5.224 -9.901) 11.437 27.940 ( -0.887 -6.717 -5.217) 8.551 29.036 ( -5.473 7.173 23.728) 25.386 29.143 ( -4.106 10.051 17.920) 20.953 30.001 ( 6.798 -0.838 4.834) 8.384 30.187 ( -1.752 5.913 -4.127) 7.421 30.388 ( 4.596 2.796 20.394) 21.091 31.049 ( -5.005 12.234 10.074) 16.619 31.311 ( 4.712 2.988 4.607) 7.236 31.547 ( -0.251 6.979 -1.186) 7.084 32.321 ( 1.573 1.020 19.933) 20.021 32.599 ( -2.897 5.199 12.933) 14.237 32.831 ( 4.574 17.471 9.933) 20.611 32.939 ( -4.825 17.797 4.077) 18.885 34.556 ( 3.889 7.175 8.749) 11.964 34.890 ( -4.434 15.696 13.165) 20.961 36.419 ( 20.024 -34.179 -25.652) 47.193 37.281 ( -9.843 -30.222 -22.880) 39.163 ======================= Grid point 125 (46/126) ======================= q-point: ( 0.00 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 0.000 10.424 -1.322) 10.508 1.939 ( 0.000 7.352 0.522) 7.370 2.047 ( 0.000 4.971 3.139) 5.879 2.179 ( 0.000 2.136 4.467) 4.951 2.538 ( 0.000 -6.143 -5.428) 8.197 2.594 ( 0.000 0.926 -1.512) 1.773 4.980 ( 0.000 28.719 17.636) 33.701 5.180 ( 0.000 22.929 31.335) 38.828 5.989 ( 0.000 -6.399 -11.071) 12.787 6.449 ( 0.000 8.820 5.264) 10.272 6.733 ( 0.000 14.993 15.846) 21.815 7.106 ( 0.000 16.749 30.457) 34.759 7.302 ( 0.000 4.848 10.051) 11.159 7.834 ( 0.000 14.016 9.693) 17.042 7.950 ( 0.000 24.808 12.051) 27.580 8.902 ( 0.000 32.596 19.263) 37.863 8.954 ( 0.000 13.755 25.674) 29.126 9.746 ( 0.000 14.017 6.266) 15.353 10.392 ( 0.000 21.883 -11.028) 24.504 11.155 ( 0.000 11.916 -4.482) 12.731 11.405 ( 0.000 -16.364 -3.066) 16.649 11.980 ( 0.000 1.859 1.070) 2.145 12.402 ( 0.000 -8.388 1.991) 8.622 13.091 ( 0.000 -5.832 -4.492) 7.361 13.462 ( 0.000 -8.411 -2.580) 8.798 13.864 ( 0.000 -4.041 -1.324) 4.252 14.092 ( 0.000 3.662 -12.868) 13.379 14.342 ( 0.000 -6.756 17.481) 18.741 15.466 ( 0.000 -5.151 -7.412) 9.026 15.872 ( 0.000 -19.806 9.794) 22.096 16.258 ( 0.000 -0.584 -10.837) 10.853 16.485 ( 0.000 0.100 5.721) 5.722 17.264 ( 0.000 -13.602 -4.501) 14.328 17.281 ( 0.000 0.220 -6.541) 6.545 18.496 ( 0.000 -3.780 -1.160) 3.954 18.604 ( 0.000 -5.192 -5.266) 7.395 18.910 ( 0.000 -2.412 -3.530) 4.275 19.179 ( 0.000 -2.105 -9.288) 9.523 19.908 ( 0.000 18.954 -10.220) 21.534 20.259 ( 0.000 -12.810 -15.741) 20.295 20.853 ( 0.000 -7.530 -14.852) 16.652 21.227 ( 0.000 -2.707 -5.823) 6.422 21.713 ( 0.000 -12.930 -13.054) 18.373 21.797 ( 0.000 -13.408 -16.685) 21.405 22.570 ( 0.000 -3.240 -4.193) 5.299 22.693 ( 0.000 -11.399 4.217) 12.154 23.399 ( 0.000 -1.381 1.794) 2.264 23.495 ( 0.000 -3.832 -5.442) 6.656 23.806 ( 0.000 -15.395 3.180) 15.720 23.978 ( 0.000 -5.120 24.597) 25.124 25.577 ( 0.000 9.542 -22.185) 24.150 25.678 ( 0.000 0.066 -10.893) 10.893 25.960 ( 0.000 -4.242 -13.673) 14.316 26.529 ( 0.000 -4.658 -3.105) 5.598 27.636 ( 0.000 -13.037 -7.475) 15.028 28.124 ( 0.000 6.269 -15.225) 16.466 29.401 ( 0.000 4.093 10.663) 11.421 29.756 ( 0.000 11.681 19.163) 22.442 29.766 ( 0.000 3.709 13.095) 13.610 30.167 ( 0.000 5.263 5.916) 7.918 30.308 ( 0.000 1.130 7.391) 7.477 31.107 ( 0.000 -3.607 12.896) 13.391 31.363 ( 0.000 -9.109 20.069) 22.039 31.600 ( 0.000 17.131 4.397) 17.686 32.491 ( 0.000 12.948 15.134) 19.917 32.834 ( 0.000 1.179 14.894) 14.941 33.070 ( 0.000 22.170 -2.893) 22.358 33.402 ( 0.000 16.858 -0.065) 16.858 34.486 ( 0.000 0.507 2.300) 2.355 35.321 ( 0.000 8.104 10.711) 13.431 35.371 ( 0.000 -6.398 -10.587) 12.370 36.851 ( 0.000 -33.580 -12.100) 35.694 ======================= Grid point 126 (47/126) ======================= q-point: ( 0.20 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 1.509 9.990 -1.722) 10.249 1.934 ( -0.571 6.908 1.083) 7.016 2.050 ( 0.414 4.862 3.513) 6.013 2.161 ( -1.835 2.514 3.920) 5.005 2.540 ( 0.689 -4.813 -4.165) 6.402 2.603 ( 0.414 -0.797 -2.947) 3.081 4.989 ( 3.029 26.591 16.590) 31.488 5.328 ( 13.548 21.091 30.550) 39.518 5.829 ( -16.014 -0.281 -2.766) 16.254 6.332 ( -9.285 7.756 7.086) 14.020 6.678 ( -6.046 20.855 18.405) 28.465 7.168 ( 2.576 18.098 15.223) 23.789 7.334 ( 6.074 -1.218 20.593) 21.504 7.656 ( -12.521 13.736 6.647) 19.739 8.216 ( 20.967 22.120 12.184) 32.823 8.903 ( 2.581 31.082 17.784) 35.902 9.067 ( 7.032 16.315 22.741) 28.858 9.617 ( -11.774 17.830 2.304) 21.491 10.516 ( 11.808 18.363 -6.885) 22.892 11.088 ( -4.257 10.019 -1.396) 10.975 11.529 ( 6.951 -12.589 -5.239) 15.305 11.915 ( -5.209 -0.911 1.942) 5.633 12.224 ( -12.756 -6.739 0.595) 14.439 13.043 ( -9.211 -6.126 1.219) 11.129 13.443 ( 2.293 -8.731 -5.843) 10.753 13.878 ( -3.350 4.537 -2.251) 6.072 14.213 ( 13.549 -7.447 -5.961) 16.570 14.365 ( 2.828 -8.852 10.113) 13.734 15.346 ( -9.300 -5.038 -6.273) 12.298 15.940 ( 0.727 -11.011 8.483) 13.919 16.247 ( 2.298 0.750 -7.227) 7.621 16.585 ( 10.272 -4.436 -1.053) 11.238 17.132 ( -9.763 -6.137 -3.140) 11.951 17.380 ( 6.160 -10.555 -5.097) 13.241 18.350 ( -11.598 -1.540 3.327) 12.163 18.595 ( -3.266 -5.553 -3.214) 7.199 18.958 ( 5.715 -1.728 -8.777) 10.615 19.245 ( 3.939 -1.160 -14.978) 15.530 19.996 ( 9.195 15.003 -7.782) 19.240 20.256 ( 0.660 -13.104 -13.705) 18.973 20.824 ( -4.189 -6.298 -13.489) 15.465 21.221 ( -0.256 -1.057 -5.549) 5.654 21.672 ( -3.265 -16.393 -14.945) 22.423 21.799 ( -0.631 -10.423 -13.077) 16.735 22.559 ( -1.432 -5.290 -0.779) 5.536 22.658 ( -2.375 -6.485 -1.106) 6.994 23.404 ( 0.124 -3.093 0.367) 3.117 23.505 ( 0.398 -5.106 -5.557) 7.557 23.764 ( -1.881 -11.768 6.665) 13.655 24.044 ( 4.572 -8.139 23.920) 25.677 25.391 ( -7.334 4.522 -19.558) 21.372 25.797 ( -7.809 2.966 -21.348) 22.925 26.019 ( 15.245 -1.116 -7.330) 16.953 26.552 ( 1.713 -4.085 -2.847) 5.266 27.662 ( 2.528 -10.939 -9.868) 14.948 28.027 ( -8.809 5.226 -13.870) 17.242 29.358 ( -6.384 4.993 15.143) 17.175 29.513 ( -13.472 11.408 14.687) 22.964 29.871 ( 6.080 3.024 14.521) 16.030 30.280 ( 3.401 3.711 -1.876) 5.372 30.326 ( 5.560 2.000 16.980) 17.979 31.064 ( -3.607 -7.873 17.681) 19.688 31.453 ( 7.478 -0.757 12.292) 14.408 31.620 ( 2.460 14.766 2.976) 15.262 32.448 ( -4.070 10.086 16.493) 19.756 32.789 ( -4.450 3.265 14.418) 15.439 33.124 ( 5.089 20.987 0.363) 21.598 33.381 ( -2.189 18.113 0.421) 18.250 34.560 ( 6.610 1.244 1.097) 6.815 35.236 ( -3.978 8.033 1.258) 9.052 35.552 ( 13.659 -11.994 -4.373) 18.696 36.789 ( -6.396 -32.453 -11.428) 34.995 ======================= Grid point 127 (48/126) ======================= q-point: ( 0.40 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 1.237 9.494 -3.049) 10.048 1.921 ( -0.679 5.918 2.667) 6.526 2.065 ( 1.028 4.218 4.257) 6.080 2.122 ( -1.895 3.495 3.079) 5.029 2.566 ( 1.788 -3.427 -3.793) 5.416 2.597 ( -1.064 -2.648 -3.834) 4.779 5.124 ( 11.451 19.555 12.672) 25.964 5.418 ( -14.838 11.699 9.270) 21.046 5.709 ( 15.990 18.212 27.599) 36.729 6.073 ( -18.760 13.511 18.403) 29.549 6.627 ( 0.663 13.908 14.489) 20.095 7.187 ( 1.001 22.055 7.163) 23.211 7.335 ( -7.028 3.461 12.175) 14.478 7.575 ( 3.483 6.754 14.612) 16.470 8.590 ( 16.403 9.543 14.453) 23.854 8.934 ( -2.479 40.804 18.322) 44.797 9.154 ( 3.388 26.634 9.110) 28.352 9.410 ( -8.092 11.536 3.999) 14.648 10.753 ( 10.919 16.757 -3.561) 20.315 11.026 ( -2.645 12.313 -0.221) 12.595 11.550 ( 0.110 -9.037 -0.016) 9.037 11.697 ( -15.415 -7.969 0.613) 17.364 12.310 ( 19.755 -6.239 -1.449) 20.767 12.731 ( -22.209 -6.318 -0.711) 23.102 13.558 ( 7.717 -4.235 -1.533) 8.935 13.760 ( -7.434 -2.858 1.366) 8.081 14.412 ( 3.461 -7.814 -1.003) 8.604 14.469 ( 7.991 -12.775 -0.668) 15.083 15.207 ( -4.467 -2.308 -5.484) 7.440 15.847 ( -5.818 -2.407 1.574) 6.490 16.406 ( 11.142 2.031 -4.470) 12.175 16.693 ( -3.770 0.748 -5.374) 6.607 17.024 ( 1.477 -17.506 2.994) 17.822 17.456 ( 1.351 -15.563 -5.810) 16.667 18.161 ( -6.592 3.086 5.896) 9.367 18.522 ( -2.979 -5.673 2.565) 6.902 19.095 ( 8.015 1.412 -17.301) 19.120 19.240 ( -4.422 -1.409 -18.420) 18.995 20.174 ( 5.849 -1.530 -14.138) 15.377 20.331 ( 8.226 -1.705 -4.019) 9.313 20.687 ( -9.134 -5.144 -8.679) 13.610 21.211 ( -0.927 -1.173 -7.845) 7.986 21.647 ( 1.115 -15.040 -15.497) 21.624 21.758 ( -3.221 -10.085 -7.727) 13.106 22.527 ( -1.242 -7.289 3.238) 8.073 22.638 ( -0.166 -0.527 -8.974) 8.991 23.402 ( -0.116 -4.795 -0.528) 4.825 23.490 ( -1.295 -9.843 -5.834) 11.515 23.770 ( 1.347 -5.480 6.893) 8.908 24.096 ( 1.035 -11.370 26.340) 28.708 25.377 ( 5.632 3.673 -21.450) 22.479 25.572 ( -13.089 2.036 -18.929) 23.103 26.300 ( 11.520 2.953 -11.357) 16.444 26.553 ( -2.043 -3.546 -1.436) 4.337 27.728 ( 5.102 -5.698 -12.772) 14.887 27.859 ( -8.590 0.945 -13.303) 15.864 29.193 ( -6.715 7.792 20.731) 23.143 29.372 ( -3.352 11.441 16.598) 20.436 29.981 ( 4.258 -0.969 8.639) 9.680 30.275 ( -0.961 2.047 5.783) 6.209 30.447 ( 4.229 2.842 14.943) 15.788 30.999 ( -2.638 -9.325 18.588) 20.962 31.552 ( 2.375 12.667 3.901) 13.465 31.697 ( 4.325 7.320 0.763) 8.536 32.372 ( -3.018 4.801 19.888) 20.680 32.707 ( -3.108 5.144 15.968) 17.061 33.225 ( 5.101 20.588 3.976) 21.580 33.326 ( -3.511 19.579 0.347) 19.894 34.667 ( 3.652 2.771 0.104) 4.585 35.185 ( -1.560 10.363 0.105) 10.480 35.796 ( 9.758 -24.651 -9.545) 28.178 36.654 ( -6.073 -29.025 -9.302) 31.078 ======================= Grid point 130 (49/126) ======================= q-point: ( 0.00 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.000 5.621 1.708) 5.875 2.044 ( 0.000 2.738 3.060) 4.106 2.110 ( 0.000 1.595 0.687) 1.736 2.252 ( 0.000 4.881 -2.701) 5.578 2.435 ( 0.000 -3.767 -3.395) 5.071 2.584 ( 0.000 -1.625 -5.797) 6.020 5.442 ( 0.000 3.258 10.148) 10.658 5.493 ( 0.000 18.633 10.866) 21.570 5.973 ( 0.000 4.868 1.455) 5.081 6.621 ( 0.000 11.319 9.639) 14.867 6.895 ( 0.000 2.245 29.061) 29.148 7.341 ( 0.000 1.390 10.267) 10.360 7.516 ( 0.000 19.815 32.112) 37.733 8.018 ( 0.000 6.611 9.962) 11.956 8.501 ( 0.000 26.791 6.683) 27.612 9.250 ( 0.000 1.678 13.052) 13.159 9.410 ( 0.000 23.875 11.299) 26.414 10.295 ( 0.000 27.444 9.380) 29.003 10.726 ( 0.000 12.088 -11.480) 16.670 11.022 ( 0.000 -9.354 3.538) 10.001 11.302 ( 0.000 0.909 -10.066) 10.107 12.105 ( 0.000 10.437 4.903) 11.531 12.332 ( 0.000 -0.103 6.032) 6.033 12.920 ( 0.000 -6.148 1.149) 6.255 13.362 ( 0.000 -2.842 4.239) 5.103 13.457 ( 0.000 -25.012 6.984) 25.968 14.113 ( 0.000 -16.571 23.744) 28.955 14.516 ( 0.000 24.529 -18.237) 30.566 15.396 ( 0.000 -20.232 -8.904) 22.105 15.410 ( 0.000 0.179 -6.540) 6.542 16.370 ( 0.000 2.875 -0.801) 2.984 16.528 ( 0.000 3.675 6.054) 7.082 17.022 ( 0.000 -5.337 -7.111) 8.891 17.362 ( 0.000 7.488 -11.112) 13.400 18.229 ( 0.000 -20.820 0.152) 20.821 18.355 ( 0.000 -17.803 -13.119) 22.114 18.936 ( 0.000 3.921 0.346) 3.936 19.276 ( 0.000 10.373 -14.454) 17.791 19.987 ( 0.000 -12.931 -14.762) 19.625 20.157 ( 0.000 1.766 -16.648) 16.741 20.740 ( 0.000 0.482 -7.884) 7.899 21.147 ( 0.000 -3.693 -7.376) 8.249 21.460 ( 0.000 -11.770 -7.141) 13.767 21.489 ( 0.000 -15.570 -8.395) 17.689 22.492 ( 0.000 -3.931 -1.866) 4.351 22.518 ( 0.000 -5.622 6.272) 8.423 23.372 ( 0.000 -1.543 -1.070) 1.878 23.445 ( 0.000 -1.519 -7.412) 7.566 23.605 ( 0.000 -5.391 0.195) 5.394 23.907 ( 0.000 -1.493 26.356) 26.399 25.687 ( 0.000 1.374 -11.569) 11.650 25.780 ( 0.000 9.821 -20.258) 22.513 25.897 ( 0.000 -2.656 -15.785) 16.007 26.470 ( 0.000 -2.110 -5.559) 5.946 27.382 ( 0.000 -11.069 -12.926) 17.018 28.226 ( 0.000 3.804 -13.934) 14.444 29.435 ( 0.000 0.250 4.678) 4.685 29.898 ( 0.000 8.076 16.474) 18.347 29.932 ( 0.000 6.028 21.492) 22.321 30.263 ( 0.000 3.595 4.427) 5.703 30.299 ( 0.000 -2.213 12.420) 12.615 31.019 ( 0.000 -4.082 14.740) 15.295 31.199 ( 0.000 -6.530 17.746) 18.910 31.886 ( 0.000 10.419 4.286) 11.266 32.730 ( 0.000 9.718 16.556) 19.198 32.836 ( 0.000 -0.616 17.968) 17.978 33.516 ( 0.000 20.740 -6.276) 21.669 33.785 ( 0.000 20.871 -2.617) 21.035 34.428 ( 0.000 -5.873 0.384) 5.886 35.181 ( 0.000 -14.284 -17.353) 22.476 35.484 ( 0.000 7.110 11.189) 13.257 36.277 ( 0.000 -20.395 -0.232) 20.396 ======================= Grid point 131 (50/126) ======================= q-point: ( 0.20 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.884 5.350 1.548) 5.639 2.032 ( -1.088 2.664 3.230) 4.326 2.118 ( 0.850 1.988 1.030) 2.395 2.236 ( -1.854 4.670 -2.115) 5.452 2.450 ( 1.722 -3.572 -3.752) 5.459 2.579 ( -0.756 -1.741 -6.023) 6.315 5.454 ( -0.610 12.679 9.928) 16.115 5.545 ( 7.330 6.796 11.383) 15.149 5.923 ( -4.899 6.804 5.521) 10.039 6.442 ( -12.522 5.587 14.145) 19.700 7.042 ( 3.883 13.137 24.418) 27.998 7.291 ( 2.585 1.909 16.516) 16.826 7.549 ( 1.895 18.783 23.049) 29.793 7.984 ( -4.960 11.820 6.658) 14.444 8.524 ( 3.530 14.649 10.023) 18.098 9.242 ( 0.437 -0.164 12.613) 12.622 9.560 ( 13.204 27.531 8.112) 31.593 10.259 ( -4.660 32.727 6.428) 33.677 10.783 ( 7.340 7.657 -6.101) 12.236 11.092 ( 5.176 -6.492 -0.271) 8.307 11.309 ( 1.036 -1.477 -7.264) 7.484 11.967 ( -17.058 4.256 4.049) 18.041 12.186 ( -6.293 4.387 5.976) 9.724 12.942 ( -2.999 -1.897 7.902) 8.662 13.213 ( -4.849 -15.512 4.235) 16.795 13.662 ( 5.094 -18.022 7.847) 20.306 14.058 ( 3.725 -12.167 12.435) 17.792 14.556 ( 2.089 23.068 -13.273) 26.696 15.292 ( -4.457 -1.723 -6.715) 8.241 15.587 ( 9.026 -17.510 -5.458) 20.442 16.363 ( -1.419 6.319 -1.742) 6.706 16.563 ( 7.850 -0.236 3.028) 8.417 17.000 ( -5.150 -5.278 -7.823) 10.751 17.288 ( -6.396 3.028 -8.728) 11.237 18.183 ( -2.933 -14.688 -1.872) 15.095 18.381 ( 0.216 -15.019 -8.257) 17.141 18.931 ( 1.642 0.764 -4.426) 4.783 19.336 ( 2.994 8.967 -14.987) 17.720 19.934 ( -1.859 -13.596 -13.174) 19.023 20.234 ( 6.538 1.361 -14.928) 16.354 20.681 ( -5.678 -3.795 -10.907) 12.868 21.165 ( -3.864 -6.116 -5.134) 8.871 21.349 ( 1.145 -11.298 -8.466) 14.164 21.615 ( 4.815 -7.706 -4.622) 10.194 22.452 ( -2.444 -3.772 2.829) 5.311 22.554 ( 2.491 -4.595 -1.644) 5.479 23.350 ( -2.113 -2.533 -1.618) 3.674 23.404 ( -4.870 -4.019 -7.618) 9.894 23.635 ( 4.522 -2.461 4.935) 7.131 23.936 ( 1.749 -2.491 24.551) 24.739 25.483 ( -8.607 4.294 -18.638) 20.973 25.786 ( -9.835 -2.270 -14.163) 17.392 26.084 ( 18.343 5.601 -16.206) 25.109 26.505 ( 2.972 -1.464 -6.107) 6.947 27.450 ( 6.823 -9.097 -13.661) 17.774 28.110 ( -11.282 2.888 -13.875) 18.114 29.423 ( -2.398 2.006 8.439) 8.999 29.725 ( -11.859 8.743 12.171) 19.111 29.945 ( 0.692 4.322 22.888) 23.303 30.288 ( -0.569 -2.333 12.801) 13.025 30.382 ( 8.059 2.522 7.181) 11.084 30.896 ( -6.986 -7.455 18.795) 21.393 31.413 ( 15.980 -1.970 10.617) 19.286 31.884 ( -0.274 9.812 3.138) 10.305 32.645 ( -7.267 8.375 16.849) 20.170 32.833 ( -1.459 1.441 18.306) 18.421 33.558 ( 4.275 20.804 -4.124) 21.636 33.776 ( -1.215 20.713 -1.998) 20.844 34.500 ( 6.999 -6.857 -1.703) 9.945 35.143 ( -3.506 -15.689 -16.915) 23.336 35.534 ( 4.665 6.393 10.520) 13.164 36.240 ( -3.742 -19.475 -0.101) 19.831 ======================= Grid point 132 (51/126) ======================= q-point: ( 0.40 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 0.997 4.755 0.675) 4.905 2.010 ( -1.044 2.867 4.316) 5.286 2.142 ( 1.761 3.099 0.920) 3.681 2.191 ( -2.579 3.458 -0.577) 4.353 2.496 ( 2.856 -2.950 -4.781) 6.302 2.552 ( -2.116 -2.019 -6.069) 6.737 5.451 ( 0.577 10.843 9.423) 14.377 5.654 ( 0.528 11.982 9.948) 15.583 5.910 ( 7.926 1.103 12.211) 14.600 6.196 ( -14.106 2.156 18.715) 23.535 7.020 ( -1.279 20.964 23.265) 31.343 7.429 ( 6.245 11.471 11.599) 17.468 7.557 ( -0.974 13.753 17.769) 22.491 7.887 ( -3.250 16.222 9.070) 18.867 8.598 ( 2.847 0.953 10.425) 10.849 9.255 ( 0.415 -6.140 13.585) 14.914 9.833 ( 15.056 34.293 2.177) 37.516 10.112 ( -10.970 39.277 4.060) 40.982 10.991 ( 13.227 2.143 -4.080) 14.007 11.140 ( -0.984 -1.505 -6.199) 6.454 11.333 ( 1.660 -4.249 2.065) 5.007 11.581 ( -18.781 3.373 5.789) 19.940 12.270 ( 14.035 1.869 5.727) 15.273 12.662 ( -21.346 1.531 5.493) 22.095 13.314 ( 11.043 -21.229 10.699) 26.212 13.539 ( -11.719 -19.472 13.361) 26.363 14.315 ( 15.852 -0.113 -1.735) 15.947 14.539 ( -4.890 16.493 -7.662) 18.832 15.233 ( -1.689 4.089 -7.132) 8.392 15.642 ( -1.625 -18.520 -0.926) 18.614 16.444 ( 10.004 3.600 -7.736) 13.149 16.749 ( 1.521 4.015 -1.228) 4.466 16.838 ( -2.093 -4.082 -3.823) 5.971 17.148 ( -8.616 -10.539 -7.208) 15.403 18.168 ( 1.210 -4.128 -0.525) 4.333 18.331 ( -3.974 -11.716 -4.984) 13.338 19.034 ( 7.960 -3.611 -12.471) 15.229 19.283 ( -7.301 2.707 -13.723) 15.778 19.992 ( 5.508 -9.784 -14.442) 18.293 20.342 ( 3.387 -3.109 -8.568) 9.723 20.577 ( -3.746 -3.595 -13.542) 14.503 21.018 ( -6.991 -16.053 -11.588) 20.996 21.487 ( 9.210 -0.674 -1.136) 9.304 21.626 ( -3.650 -2.988 -0.467) 4.740 22.424 ( -0.569 -2.696 1.084) 2.961 22.595 ( 1.546 -3.588 -6.135) 7.274 23.303 ( -2.987 -6.230 -5.062) 8.565 23.320 ( -1.966 -3.934 -3.087) 5.373 23.746 ( 5.524 0.764 8.049) 9.792 23.932 ( -1.899 -4.555 23.240) 23.758 25.434 ( 3.334 2.053 -19.270) 19.664 25.579 ( -11.073 -0.751 -16.666) 20.023 26.381 ( 12.328 4.211 -14.807) 19.722 26.529 ( -1.790 0.294 -7.674) 7.886 27.609 ( 9.634 -4.733 -13.267) 17.066 27.873 ( -12.502 -0.283 -15.168) 19.658 29.346 ( -3.922 7.102 15.692) 17.665 29.572 ( -4.107 7.043 11.050) 13.732 29.973 ( 1.580 0.841 18.059) 18.148 30.269 ( -1.010 -2.526 20.381) 20.562 30.496 ( 3.534 2.014 6.129) 7.356 30.808 ( -2.527 -8.509 17.849) 19.935 31.690 ( 12.524 2.651 4.502) 13.570 31.856 ( -3.757 6.622 1.298) 7.724 32.520 ( -4.741 8.964 18.566) 21.155 32.792 ( -1.868 2.738 19.029) 19.316 33.651 ( 5.189 20.633 -1.115) 21.305 33.734 ( -3.452 20.486 -0.927) 20.796 34.632 ( 5.295 -6.780 -4.513) 9.715 35.077 ( -2.762 -19.713 -17.643) 26.599 35.618 ( 3.236 5.280 10.637) 12.308 36.167 ( -2.986 -17.707 -0.010) 17.957 ======================= Grid point 135 (52/126) ======================= q-point: ( 0.00 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 1.893 4.048) 4.468 2.069 ( 0.000 0.304 4.612) 4.622 2.127 ( 0.000 0.281 0.012) 0.282 2.345 ( 0.000 3.168 -6.923) 7.614 2.385 ( 0.000 -1.211 -2.268) 2.571 2.543 ( 0.000 -1.762 -7.782) 7.979 5.444 ( 0.000 -0.740 -2.044) 2.174 5.709 ( 0.000 4.066 7.493) 8.525 6.061 ( 0.000 2.115 1.211) 2.437 6.872 ( 0.000 9.124 12.360) 15.363 6.904 ( 0.000 -0.014 51.381) 51.381 7.384 ( 0.000 1.847 5.851) 6.136 7.823 ( 0.000 9.127 37.602) 38.693 8.133 ( 0.000 3.262 7.954) 8.597 8.957 ( 0.000 14.555 3.553) 14.983 9.210 ( 0.000 -1.900 9.082) 9.279 9.711 ( 0.000 5.258 -5.336) 7.491 10.228 ( 0.000 -13.437 2.136) 13.605 10.949 ( 0.000 10.540 -9.198) 13.989 11.176 ( 0.000 -10.899 -13.751) 17.546 11.516 ( 0.000 35.846 9.802) 37.162 12.249 ( 0.000 -12.487 14.073) 18.814 12.405 ( 0.000 15.787 5.160) 16.609 12.847 ( 0.000 -4.146 2.807) 5.007 13.010 ( 0.000 -13.753 9.345) 16.628 13.380 ( 0.000 7.390 17.417) 18.920 13.701 ( 0.000 -21.216 26.305) 33.794 14.783 ( 0.000 -0.730 -21.940) 21.952 15.276 ( 0.000 8.457 -11.256) 14.079 15.444 ( 0.000 1.763 -7.004) 7.222 16.231 ( 0.000 -10.807 -4.944) 11.884 16.600 ( 0.000 2.339 6.677) 7.075 17.197 ( 0.000 18.697 -4.943) 19.340 17.587 ( 0.000 14.562 -13.896) 20.128 17.739 ( 0.000 -24.597 -2.708) 24.745 17.952 ( 0.000 -19.918 -14.906) 24.878 19.017 ( 0.000 2.869 0.099) 2.871 19.527 ( 0.000 11.812 -15.786) 19.716 19.778 ( 0.000 -6.140 -13.092) 14.461 19.998 ( 0.000 -11.443 -18.279) 21.566 20.891 ( 0.000 9.803 -2.411) 10.095 21.109 ( 0.000 0.263 -8.910) 8.914 21.231 ( 0.000 -8.367 -3.477) 9.060 21.235 ( 0.000 -9.575 -4.581) 10.615 22.430 ( 0.000 -1.723 -1.421) 2.234 22.448 ( 0.000 -1.536 5.531) 5.741 23.343 ( 0.000 -0.931 -2.341) 2.520 23.419 ( 0.000 -0.938 -10.849) 10.889 23.552 ( 0.000 -0.716 1.482) 1.646 23.901 ( 0.000 0.271 25.624) 25.626 25.731 ( 0.000 2.267 -18.738) 18.875 25.842 ( 0.000 -2.391 -9.754) 10.042 25.948 ( 0.000 5.402 -17.463) 18.279 26.425 ( 0.000 -1.951 -7.267) 7.525 27.217 ( 0.000 -4.428 -15.807) 16.415 28.278 ( 0.000 1.282 -13.838) 13.897 29.435 ( 0.000 -0.088 3.193) 3.194 30.017 ( 0.000 2.321 23.616) 23.729 30.062 ( 0.000 7.397 8.272) 11.097 30.219 ( 0.000 -5.222 23.930) 24.493 30.303 ( 0.000 0.626 4.189) 4.235 30.960 ( 0.000 -1.483 14.335) 14.412 31.108 ( 0.000 -2.232 15.023) 15.188 32.023 ( 0.000 3.212 4.091) 5.201 32.824 ( 0.000 -0.358 20.921) 20.924 32.867 ( 0.000 3.481 17.398) 17.743 33.885 ( 0.000 14.057 -12.582) 18.865 34.244 ( 0.000 23.184 -10.868) 25.605 34.265 ( 0.000 -8.881 5.292) 10.338 34.779 ( 0.000 -22.887 -11.214) 25.487 35.588 ( 0.000 2.702 10.491) 10.834 36.037 ( 0.000 -4.667 2.434) 5.264 ======================= Grid point 136 (53/126) ======================= q-point: ( 0.20 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.394 1.723 4.017) 4.388 2.060 ( -0.888 0.447 4.355) 4.467 2.140 ( 1.479 0.407 0.269) 1.557 2.323 ( -3.057 2.984 -3.167) 5.318 2.399 ( 2.386 -1.406 -5.611) 6.257 2.541 ( -0.533 -1.444 -7.805) 7.955 5.483 ( 4.114 -0.837 5.148) 6.643 5.744 ( 4.299 5.553 4.385) 8.279 5.992 ( -7.068 0.631 1.066) 7.175 6.544 ( -19.272 2.954 30.376) 36.095 7.208 ( 15.900 4.859 31.265) 35.411 7.417 ( 4.706 5.266 9.714) 12.010 7.883 ( 4.049 12.628 27.712) 30.722 8.094 ( -3.064 -0.335 10.930) 11.356 8.840 ( -9.305 12.778 5.846) 16.854 9.156 ( -5.129 -5.718 8.451) 11.420 9.921 ( 18.785 8.523 -6.857) 21.738 10.315 ( 8.183 -12.166 0.653) 14.677 10.938 ( -1.314 9.004 -7.978) 12.102 11.127 ( -4.762 -8.283 -12.877) 16.034 11.590 ( 6.636 31.417 7.694) 33.019 12.123 ( -11.949 8.705 11.632) 18.811 12.366 ( -7.107 10.638 6.586) 14.389 12.615 ( -1.856 -26.829 11.416) 29.216 13.146 ( -11.860 4.207 14.903) 19.505 13.290 ( -7.502 -13.399 15.089) 21.529 13.839 ( 23.640 -8.055 12.868) 28.095 14.899 ( 7.131 3.514 -14.377) 16.428 15.239 ( -3.086 5.092 -9.371) 11.103 15.429 ( -2.263 -2.587 -7.263) 8.035 16.320 ( 8.723 -7.241 -6.136) 12.891 16.581 ( 0.488 2.026 3.272) 3.879 17.097 ( -9.626 11.930 -7.047) 16.871 17.382 ( -15.062 1.477 -8.968) 17.592 17.881 ( 8.583 -8.390 -6.973) 13.881 18.039 ( 6.995 -15.756 -10.851) 20.370 18.979 ( -1.960 2.373 -3.535) 4.687 19.532 ( -8.565 6.669 -13.689) 17.471 19.732 ( 5.862 -3.133 -12.795) 14.418 20.081 ( 5.741 -10.881 -14.778) 19.229 20.733 ( -10.590 5.700 -10.672) 16.079 20.955 ( -13.940 -9.731 -8.646) 19.073 21.298 ( 12.922 2.084 -1.615) 13.188 21.483 ( 11.165 -4.887 -0.482) 12.197 22.420 ( -0.795 0.524 2.187) 2.385 22.468 ( 2.059 -3.547 -0.643) 4.152 23.307 ( -3.516 -1.213 -2.908) 4.721 23.352 ( -6.147 -1.276 -8.939) 10.923 23.614 ( 6.448 -0.214 4.593) 7.919 23.918 ( 0.771 0.004 23.650) 23.662 25.556 ( -9.785 2.372 -20.718) 23.035 25.741 ( -9.247 -1.637 -9.806) 13.578 26.191 ( 16.639 3.687 -17.527) 24.447 26.474 ( 4.481 -1.420 -8.537) 9.746 27.315 ( 9.869 -3.596 -15.333) 18.585 28.148 ( -13.005 0.869 -13.822) 18.998 29.450 ( 1.123 0.638 5.215) 5.373 29.845 ( -12.911 2.807 8.651) 15.793 30.057 ( -1.889 6.450 28.851) 29.623 30.202 ( -0.696 -5.622 17.970) 18.842 30.413 ( 7.790 0.603 7.979) 11.167 30.788 ( -8.727 -2.788 15.847) 18.305 31.386 ( 19.092 -0.638 9.156) 21.183 32.012 ( -1.494 2.953 2.815) 4.345 32.766 ( -4.787 3.113 20.120) 20.914 32.854 ( -2.072 0.589 18.063) 18.191 33.944 ( 5.496 15.945 -9.571) 19.392 34.217 ( -1.812 19.412 -6.861) 20.668 34.310 ( 3.789 -7.974 0.328) 8.834 34.731 ( -4.807 -22.825 -10.676) 25.653 35.639 ( 5.002 2.887 9.138) 10.810 36.005 ( -3.316 -4.771 2.819) 6.458 ======================= Grid point 137 (54/126) ======================= q-point: ( 0.40 0.45 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 0.544 1.479 3.685) 4.008 2.043 ( -0.782 0.533 4.580) 4.677 2.182 ( 3.131 0.982 0.065) 3.282 2.251 ( -4.136 1.775 -0.951) 4.601 2.457 ( 3.321 -0.757 -7.038) 7.819 2.516 ( -2.201 -1.250 -7.688) 8.094 5.587 ( 6.510 3.451 10.806) 13.079 5.813 ( -6.324 0.122 7.219) 9.598 5.902 ( 8.011 2.941 5.657) 10.238 6.203 ( -16.289 -0.874 22.053) 27.431 7.401 ( 4.751 15.650 19.863) 25.730 7.594 ( 11.529 -0.324 20.895) 23.867 7.872 ( -4.259 14.655 15.822) 21.983 8.050 ( -2.703 -0.017 15.340) 15.576 8.737 ( -0.721 11.027 8.223) 13.774 9.051 ( -4.955 -11.996 10.557) 16.730 10.247 ( 12.659 10.268 -10.184) 19.220 10.459 ( 4.881 -5.974 -3.330) 8.403 10.912 ( -0.083 1.861 -7.997) 8.211 11.013 ( -6.809 -7.195 -9.633) 13.818 11.698 ( 4.100 27.993 5.680) 28.856 11.961 ( -4.391 28.515 11.685) 31.128 12.254 ( -2.062 -5.947 9.017) 10.996 12.629 ( -4.323 -21.286 9.530) 23.719 12.899 ( -3.142 -2.411 21.107) 21.475 13.124 ( -8.950 -17.176 18.096) 26.506 14.368 ( 27.748 3.490 2.104) 28.045 14.848 ( -13.795 6.784 -3.111) 15.684 15.240 ( 3.816 -3.569 -8.075) 9.618 15.346 ( -5.908 -4.159 -6.672) 9.835 16.512 ( 11.105 1.013 -9.864) 14.888 16.666 ( 4.261 -5.080 -6.841) 9.527 16.921 ( -4.291 7.367 -4.618) 9.696 17.089 ( -15.918 0.233 -5.713) 16.914 18.024 ( 6.803 -5.566 -6.528) 10.949 18.107 ( -0.896 -8.849 -6.463) 10.995 19.023 ( 7.160 1.783 -9.634) 12.135 19.282 ( -14.009 -2.430 -11.539) 18.311 19.919 ( 9.060 3.754 -10.110) 14.085 20.153 ( 1.259 -11.979 -7.972) 14.444 20.590 ( -3.624 3.565 -17.693) 18.409 20.735 ( -8.499 -9.772 -15.331) 20.068 21.509 ( 8.942 1.620 3.622) 9.783 21.597 ( 0.602 -0.887 3.082) 3.263 22.420 ( 0.669 2.176 -0.608) 2.356 22.505 ( 1.305 -4.734 -3.504) 6.033 23.233 ( -3.478 -0.766 -5.363) 6.438 23.256 ( -2.843 -2.412 -4.829) 6.101 23.759 ( 8.193 0.358 10.996) 13.717 23.890 ( -4.255 -0.458 19.455) 19.920 25.465 ( 0.406 0.918 -19.394) 19.420 25.560 ( -8.859 -0.740 -14.517) 17.023 26.451 ( 10.149 2.148 -15.958) 19.034 26.537 ( 0.613 0.114 -12.136) 12.152 27.547 ( 14.597 -1.397 -14.240) 20.440 27.857 ( -16.906 -0.782 -14.038) 21.988 29.471 ( 1.486 4.421 9.912) 10.955 29.631 ( -8.280 -0.424 7.352) 11.081 30.042 ( 0.204 5.649 28.058) 28.622 30.180 ( -1.275 -5.726 25.931) 26.586 30.536 ( 4.918 1.786 6.795) 8.576 30.673 ( -4.140 -4.249 12.682) 14.001 31.718 ( 15.865 0.527 4.079) 16.389 31.939 ( -7.543 1.783 1.468) 7.889 32.694 ( -2.145 6.953 19.244) 20.573 32.804 ( -2.375 -1.753 19.188) 19.414 34.051 ( 5.244 18.284 -4.189) 19.477 34.167 ( -3.582 21.720 -4.904) 22.553 34.402 ( 5.120 -14.561 -3.939) 15.930 34.629 ( -5.080 -22.597 -10.309) 25.352 35.742 ( 4.966 4.815 7.094) 9.908 35.928 ( -4.104 -6.435 3.728) 8.494 ======================= Grid point 165 (55/126) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 0.000 5.468) 5.468 1.513 ( 0.000 0.000 1.062) 1.062 1.937 ( 0.000 0.000 12.631) 12.631 2.318 ( 0.000 0.000 11.980) 11.980 2.641 ( 0.000 0.000 -11.843) 11.843 2.696 ( 0.000 0.000 10.970) 10.970 4.083 ( 0.000 0.000 48.704) 48.704 4.465 ( 0.000 0.000 26.241) 26.241 6.035 ( 0.000 0.000 35.974) 35.974 6.469 ( 0.000 0.000 25.962) 25.962 6.548 ( 0.000 0.000 -8.316) 8.316 6.679 ( 0.000 0.000 -7.717) 7.717 7.325 ( 0.000 0.000 28.026) 28.026 7.640 ( 0.000 0.000 5.173) 5.173 7.705 ( 0.000 0.000 -1.345) 1.345 7.830 ( 0.000 0.000 32.021) 32.021 8.068 ( 0.000 0.000 -14.967) 14.967 9.534 ( 0.000 0.000 12.396) 12.396 10.432 ( 0.000 0.000 22.069) 22.069 10.556 ( 0.000 0.000 14.531) 14.531 11.189 ( 0.000 0.000 -19.601) 19.601 12.060 ( 0.000 0.000 -7.525) 7.525 12.777 ( 0.000 0.000 6.356) 6.356 12.860 ( 0.000 0.000 6.001) 6.001 13.695 ( 0.000 0.000 -6.963) 6.963 13.861 ( 0.000 0.000 -4.366) 4.366 14.289 ( 0.000 0.000 -6.779) 6.779 14.579 ( 0.000 0.000 -4.045) 4.045 15.447 ( 0.000 0.000 -10.579) 10.579 16.401 ( 0.000 0.000 -12.239) 12.239 16.516 ( 0.000 0.000 24.514) 24.514 17.048 ( 0.000 0.000 -27.518) 27.518 17.769 ( 0.000 0.000 -18.260) 18.260 18.074 ( 0.000 0.000 -1.083) 1.083 18.139 ( 0.000 0.000 9.173) 9.173 18.439 ( 0.000 0.000 11.340) 11.340 18.520 ( 0.000 0.000 2.407) 2.407 19.044 ( 0.000 0.000 -9.926) 9.926 19.635 ( 0.000 0.000 7.369) 7.369 20.417 ( 0.000 0.000 -8.546) 8.546 20.465 ( 0.000 0.000 -18.801) 18.801 20.776 ( 0.000 0.000 -9.889) 9.889 21.872 ( 0.000 0.000 -27.677) 27.677 21.984 ( 0.000 0.000 -33.086) 33.086 22.329 ( 0.000 0.000 -7.019) 7.019 22.839 ( 0.000 0.000 -9.862) 9.862 23.651 ( 0.000 0.000 -19.286) 19.286 23.841 ( 0.000 0.000 -21.059) 21.059 23.953 ( 0.000 0.000 15.059) 15.059 24.899 ( 0.000 0.000 -3.366) 3.366 24.999 ( 0.000 0.000 -12.082) 12.082 25.000 ( 0.000 0.000 -10.778) 10.778 26.864 ( 0.000 0.000 10.839) 10.839 27.426 ( 0.000 0.000 -1.113) 1.113 27.679 ( 0.000 0.000 13.947) 13.947 28.110 ( 0.000 0.000 12.971) 12.971 29.168 ( 0.000 0.000 8.857) 8.857 29.528 ( 0.000 0.000 23.308) 23.308 30.122 ( 0.000 0.000 2.397) 2.397 30.180 ( 0.000 0.000 0.599) 0.599 30.225 ( 0.000 0.000 11.046) 11.046 30.593 ( 0.000 0.000 -6.965) 6.965 30.628 ( 0.000 0.000 1.098) 1.098 31.624 ( 0.000 0.000 -3.329) 3.329 32.410 ( 0.000 0.000 13.956) 13.956 32.532 ( 0.000 0.000 17.073) 17.073 33.091 ( 0.000 0.000 31.364) 31.364 33.146 ( 0.000 0.000 24.981) 24.981 34.551 ( 0.000 0.000 17.685) 17.685 35.113 ( 0.000 0.000 -0.391) 0.391 35.859 ( 0.000 0.000 -8.049) 8.049 37.451 ( 0.000 0.000 -42.225) 42.225 ======================= Grid point 166 (56/126) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.647 0.000 4.579) 4.624 1.504 ( -0.829 0.000 1.727) 1.916 1.948 ( 1.558 0.000 11.145) 11.253 2.262 ( -5.675 0.000 8.795) 10.467 2.668 ( 2.470 0.000 -7.711) 8.097 2.713 ( 1.377 0.000 8.603) 8.713 4.236 ( 16.092 0.000 46.627) 49.325 4.595 ( 13.593 0.000 23.077) 26.783 5.758 ( -25.052 0.000 34.858) 42.926 6.067 ( -31.902 0.000 -2.302) 31.985 6.540 ( 5.831 0.000 25.290) 25.953 6.934 ( 7.629 0.000 -3.738) 8.495 7.338 ( 0.981 0.000 21.198) 21.221 7.458 ( -10.352 0.000 11.730) 15.645 7.845 ( 13.297 0.000 6.735) 14.905 8.027 ( 12.105 0.000 21.613) 24.772 8.259 ( 19.304 0.000 -13.618) 23.624 9.610 ( 4.336 0.000 9.124) 10.101 10.115 ( -22.958 0.000 13.999) 26.890 10.506 ( -5.620 0.000 15.084) 16.096 11.412 ( 16.383 0.000 -8.098) 18.275 12.003 ( -6.246 0.000 -7.251) 9.570 12.603 ( -13.835 0.000 3.982) 14.397 12.671 ( -14.907 0.000 4.637) 15.611 13.922 ( 19.479 0.000 -6.363) 20.492 14.092 ( 19.654 0.000 -5.716) 20.468 14.312 ( 2.427 0.000 -6.441) 6.884 14.548 ( -3.037 0.000 -3.825) 4.884 15.371 ( -6.787 0.000 -10.628) 12.611 16.104 ( -25.228 0.000 -15.038) 29.370 16.637 ( 12.378 0.000 22.401) 25.594 17.215 ( 10.936 0.000 -21.474) 24.098 17.782 ( 0.295 0.000 -16.218) 16.221 17.878 ( -15.358 0.000 8.723) 17.662 18.175 ( 4.654 0.000 4.918) 6.771 18.516 ( 2.515 0.000 -0.375) 2.543 18.609 ( 9.203 0.000 5.411) 10.676 19.086 ( 4.635 0.000 -6.881) 8.296 19.585 ( -4.519 0.000 5.102) 6.815 20.265 ( -17.188 0.000 -17.964) 24.862 20.489 ( 7.597 0.000 -9.262) 11.979 20.845 ( 3.096 0.000 -10.966) 11.394 21.869 ( -0.304 0.000 -27.214) 27.216 21.940 ( -3.628 0.000 -30.254) 30.471 22.407 ( 7.337 0.000 -8.029) 10.876 22.804 ( -3.656 0.000 -8.854) 9.579 23.700 ( 4.590 0.000 -19.572) 20.103 23.810 ( -1.640 0.000 -17.823) 17.898 24.021 ( 5.651 0.000 10.946) 12.318 24.654 ( -17.718 0.000 -4.068) 18.179 24.990 ( -0.732 0.000 -10.314) 10.339 25.087 ( 1.503 0.000 -5.307) 5.516 26.738 ( -7.001 0.000 9.255) 11.605 27.275 ( -14.112 0.000 -0.607) 14.125 27.835 ( 12.800 0.000 15.075) 19.776 28.172 ( 4.373 0.000 14.138) 14.799 29.174 ( 0.618 0.000 8.747) 8.769 29.419 ( -9.451 0.000 18.759) 21.005 30.052 ( -3.252 0.000 3.402) 4.706 30.157 ( -2.773 0.000 1.698) 3.252 30.335 ( 7.291 0.000 8.653) 11.316 30.561 ( -1.885 0.000 0.265) 1.903 30.779 ( 13.411 0.000 -4.136) 14.034 31.541 ( -8.421 0.000 -4.417) 9.509 32.455 ( 4.397 0.000 14.278) 14.940 32.567 ( 2.744 0.000 16.877) 17.099 33.076 ( -1.362 0.000 30.759) 30.789 33.124 ( -2.199 0.000 25.818) 25.912 34.601 ( 5.159 0.000 17.524) 18.268 35.024 ( -7.471 0.000 6.884) 10.159 36.142 ( 26.146 0.000 -21.326) 33.740 37.366 ( -9.313 0.000 -42.238) 43.253 ======================= Grid point 167 (57/126) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.458 0.000 3.194) 3.227 1.491 ( -0.507 0.000 2.486) 2.538 2.010 ( 5.305 0.000 8.116) 9.696 2.134 ( -7.550 0.000 6.540) 9.989 2.713 ( 1.966 0.000 -1.908) 2.739 2.730 ( 0.154 0.000 3.476) 3.480 4.642 ( 26.513 0.000 40.832) 48.685 4.920 ( 17.119 0.000 16.307) 23.643 5.251 ( -24.231 0.000 37.022) 44.246 5.486 ( -29.711 0.000 8.216) 30.826 6.685 ( 10.209 0.000 19.219) 21.762 6.889 ( -10.019 0.000 10.269) 14.346 7.354 ( 0.687 0.000 12.279) 12.298 7.364 ( -0.970 0.000 7.842) 7.902 8.085 ( 10.214 0.000 15.775) 18.793 8.167 ( 1.883 0.000 18.295) 18.392 8.727 ( 30.281 0.000 -9.052) 31.605 9.319 ( -31.534 0.000 -1.221) 31.557 10.074 ( 14.140 0.000 14.763) 20.442 10.341 ( -12.418 0.000 15.188) 19.618 11.665 ( 10.839 0.000 -0.228) 10.842 11.846 ( -9.695 0.000 -2.908) 10.122 12.416 ( -4.473 0.000 -0.456) 4.496 12.450 ( -7.626 0.000 0.865) 7.675 14.272 ( 15.343 0.000 -4.272) 15.926 14.367 ( 4.958 0.000 -4.465) 6.672 14.377 ( 5.006 0.000 -8.297) 9.690 14.488 ( -3.433 0.000 -7.777) 8.501 15.314 ( 5.464 0.000 -11.499) 12.731 15.622 ( -24.590 0.000 -14.407) 28.500 16.934 ( 18.612 0.000 16.113) 24.618 17.245 ( -11.033 0.000 -1.157) 11.094 17.694 ( -0.848 0.000 1.356) 1.600 17.750 ( -3.638 0.000 -9.975) 10.618 18.311 ( 9.087 0.000 -4.064) 9.954 18.467 ( -6.778 0.000 -6.791) 9.594 18.838 ( 14.803 0.000 10.154) 17.951 19.087 ( -8.858 0.000 7.207) 11.420 19.609 ( 11.044 0.000 -10.143) 14.995 19.916 ( -19.444 0.000 -16.997) 25.826 20.666 ( 10.417 0.000 -10.640) 14.891 20.824 ( -5.513 0.000 -11.302) 12.574 21.866 ( 0.224 0.000 -26.634) 26.635 21.885 ( -2.012 0.000 -27.439) 27.513 22.562 ( 8.783 0.000 -7.292) 11.416 22.708 ( -6.717 0.000 -7.200) 9.847 23.781 ( 3.054 0.000 -20.842) 21.064 23.800 ( 0.157 0.000 -20.513) 20.514 24.140 ( 7.650 0.000 10.488) 12.981 24.339 ( -14.694 0.000 4.542) 15.380 24.991 ( 1.415 0.000 -8.064) 8.187 25.048 ( -4.080 0.000 -4.342) 5.958 26.749 ( 8.141 0.000 3.739) 8.958 26.985 ( -15.789 0.000 0.521) 15.798 28.060 ( 10.598 0.000 17.384) 20.360 28.194 ( -3.099 0.000 17.005) 17.285 29.194 ( 1.843 0.000 9.158) 9.341 29.263 ( -6.225 0.000 12.329) 13.811 30.035 ( 1.303 0.000 2.029) 2.411 30.089 ( -3.968 0.000 1.601) 4.279 30.448 ( 4.837 0.000 7.537) 8.955 30.518 ( -2.953 0.000 4.887) 5.710 31.062 ( 15.976 0.000 -5.280) 16.826 31.336 ( -13.353 0.000 -5.598) 14.479 32.545 ( 4.512 0.000 15.116) 15.775 32.594 ( -0.459 0.000 16.201) 16.207 33.058 ( -0.206 0.000 29.401) 29.401 33.078 ( -2.281 0.000 27.618) 27.712 34.725 ( 7.889 0.000 16.485) 18.276 34.877 ( -8.290 0.000 13.474) 15.821 36.666 ( 27.759 0.000 -35.779) 45.284 37.104 ( -19.176 0.000 -41.270) 45.507 ======================= Grid point 170 (58/126) ======================= q-point: ( 0.00 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 1.026 4.198) 4.322 1.611 ( 0.000 7.231 1.346) 7.355 1.972 ( 0.000 3.102 10.188) 10.649 2.319 ( 0.000 -0.183 10.442) 10.444 2.602 ( 0.000 -3.554 -10.765) 11.336 2.681 ( 0.000 -1.414 8.676) 8.790 4.429 ( 0.000 30.251 40.755) 50.755 4.576 ( 0.000 10.640 25.617) 27.739 6.091 ( 0.000 6.498 19.354) 20.416 6.350 ( 0.000 -11.735 3.140) 12.148 6.605 ( 0.000 6.627 13.483) 15.024 6.988 ( 0.000 26.398 3.431) 26.620 7.225 ( 0.000 -4.938 10.823) 11.896 7.498 ( 0.000 -7.032 16.952) 18.353 7.664 ( 0.000 7.955 21.250) 22.690 8.155 ( 0.000 19.947 20.178) 28.373 8.521 ( 0.000 32.499 -10.142) 34.044 9.595 ( 0.000 5.593 11.751) 13.015 10.177 ( 0.000 -14.129 23.727) 27.615 10.768 ( 0.000 10.728 11.818) 15.961 11.238 ( 0.000 4.676 -17.612) 18.223 11.995 ( 0.000 -4.397 -5.925) 7.378 12.843 ( 0.000 -2.118 6.603) 6.934 12.858 ( 0.000 5.942 0.170) 5.944 13.651 ( 0.000 -15.124 -8.384) 17.293 13.693 ( 0.000 -1.031 -3.885) 4.020 14.377 ( 0.000 3.959 -2.969) 4.949 14.562 ( 0.000 -0.722 -1.417) 1.590 15.436 ( 0.000 -1.053 -10.026) 10.081 16.371 ( 0.000 -10.749 15.035) 18.483 16.421 ( 0.000 1.749 -11.235) 11.371 17.027 ( 0.000 -8.991 -15.530) 17.944 17.501 ( 0.000 -15.509 -7.038) 17.032 17.860 ( 0.000 -19.145 12.376) 22.797 18.066 ( 0.000 2.186 -18.902) 19.028 18.566 ( 0.000 5.107 4.346) 6.706 18.870 ( 0.000 24.547 4.360) 24.931 18.986 ( 0.000 -4.674 -8.602) 9.789 19.555 ( 0.000 -7.761 5.509) 9.518 20.291 ( 0.000 -6.644 -16.693) 17.967 20.699 ( 0.000 15.005 -12.620) 19.607 20.755 ( 0.000 -2.444 -12.161) 12.404 21.801 ( 0.000 -6.368 -23.315) 24.169 21.906 ( 0.000 -7.475 -28.163) 29.138 22.361 ( 0.000 2.999 -8.053) 8.593 22.814 ( 0.000 -2.294 -10.245) 10.498 23.563 ( 0.000 -5.635 -10.236) 11.685 23.669 ( 0.000 -12.696 -15.846) 20.305 24.115 ( 0.000 11.973 7.952) 14.373 24.742 ( 0.000 -16.161 -6.476) 17.410 25.013 ( 0.000 1.412 -11.506) 11.592 25.117 ( 0.000 9.366 -9.922) 13.644 26.667 ( 0.000 -16.684 14.227) 21.926 27.297 ( 0.000 -26.887 12.565) 29.678 27.491 ( 0.000 5.399 -8.058) 9.699 28.132 ( 0.000 -5.617 7.035) 9.002 29.288 ( 0.000 9.994 9.875) 14.050 29.601 ( 0.000 7.493 20.378) 21.712 29.969 ( 0.000 -9.515 1.329) 9.607 30.122 ( 0.000 3.296 6.993) 7.731 30.328 ( 0.000 5.938 8.876) 10.679 30.884 ( 0.000 18.396 -0.618) 18.407 30.901 ( 0.000 21.952 1.234) 21.987 31.709 ( 0.000 7.582 -1.205) 7.678 32.425 ( 0.000 0.703 11.225) 11.247 32.572 ( 0.000 5.317 16.636) 17.465 32.968 ( 0.000 -5.906 21.260) 22.065 33.285 ( 0.000 7.838 30.402) 31.396 34.573 ( 0.000 1.690 14.742) 14.839 35.164 ( 0.000 5.044 1.840) 5.369 35.714 ( 0.000 -12.683 -7.398) 14.683 37.338 ( 0.000 -11.154 -38.525) 40.107 ======================= Grid point 171 (59/126) ======================= q-point: ( 0.20 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.834 1.515 3.560) 3.958 1.612 ( 0.031 7.517 1.346) 7.636 1.981 ( 1.338 2.997 9.276) 9.840 2.263 ( -5.427 -0.039 7.730) 9.445 2.631 ( 2.606 -3.321 -7.016) 8.188 2.692 ( 0.864 -1.934 6.739) 7.064 4.501 ( 9.347 20.392 35.143) 41.692 4.754 ( 17.108 17.752 27.054) 36.603 5.788 ( -25.547 2.481 14.803) 29.631 6.176 ( -23.120 8.423 11.430) 27.132 6.558 ( 2.320 2.144 18.694) 18.959 7.002 ( -2.581 6.039 6.570) 9.290 7.365 ( 9.439 2.594 5.177) 11.073 7.461 ( 2.383 6.526 16.551) 17.951 7.889 ( 16.328 4.850 19.109) 25.598 8.133 ( 0.152 14.495 20.845) 25.390 8.648 ( 11.564 28.196 -8.165) 31.550 9.601 ( -4.183 -2.147 9.483) 10.585 10.072 ( -5.135 -0.546 18.440) 19.150 10.639 ( -9.648 10.857 9.920) 17.589 11.411 ( 12.632 0.231 -8.585) 15.275 11.996 ( -0.070 -0.863 -6.229) 6.289 12.452 ( -21.640 -5.544 1.460) 22.386 12.900 ( -9.760 12.440 4.900) 16.554 13.738 ( 13.579 -17.166 -7.460) 23.124 13.896 ( 12.137 -10.652 -5.966) 17.216 14.461 ( 7.877 6.247 -4.085) 10.852 14.563 ( 1.376 1.483 -1.202) 2.353 15.364 ( -6.468 -0.837 -9.743) 11.724 16.092 ( -23.660 -1.672 -13.517) 27.300 16.518 ( 9.670 -8.115 15.521) 20.006 17.215 ( 13.767 -11.325 -10.843) 20.865 17.426 ( -8.039 -11.289 -2.822) 14.143 17.853 ( 1.847 -12.425 -1.697) 12.676 18.164 ( 7.857 -2.263 -9.182) 12.295 18.472 ( -7.597 5.641 4.237) 10.368 18.815 ( -2.758 4.858 -2.359) 6.064 19.166 ( 11.573 10.696 -2.085) 15.896 19.489 ( -3.406 -7.701 0.304) 8.425 20.386 ( 4.104 1.339 -15.340) 15.935 20.456 ( -11.925 4.087 -10.466) 16.384 20.871 ( 3.140 2.307 -13.133) 13.699 21.754 ( -3.559 -7.937 -24.342) 25.849 21.945 ( 2.610 -3.618 -27.160) 27.524 22.389 ( 3.002 -0.364 -6.243) 6.937 22.785 ( -2.944 -1.703 -8.340) 9.007 23.570 ( 0.612 -8.245 -12.998) 15.405 23.677 ( 0.766 -11.098 -12.659) 16.853 24.161 ( 4.539 11.364 5.256) 13.318 24.622 ( -10.961 -10.211 -7.346) 16.684 24.969 ( -1.072 2.574 -9.619) 10.015 25.173 ( 0.992 6.404 -5.220) 8.321 26.577 ( -6.003 -14.157 11.445) 19.168 27.132 ( -12.343 -14.515 1.727) 19.132 27.649 ( 11.289 -8.803 5.064) 15.185 28.149 ( 0.806 -7.494 7.440) 10.591 29.253 ( -2.993 7.736 10.132) 13.094 29.504 ( -8.292 6.786 18.188) 21.110 29.949 ( 0.274 -2.530 3.154) 4.052 30.205 ( 3.505 -0.075 6.336) 7.241 30.392 ( 7.381 8.084 8.280) 13.726 30.808 ( -3.664 19.800 -0.971) 20.159 31.011 ( 7.193 17.426 1.713) 18.930 31.627 ( -7.892 7.398 -1.821) 10.969 32.443 ( 1.651 0.083 10.502) 10.631 32.636 ( 5.583 6.045 16.125) 18.103 32.978 ( 1.234 -4.430 22.936) 23.392 33.247 ( -3.928 7.213 30.210) 31.306 34.621 ( 4.823 1.568 14.511) 15.372 35.070 ( -7.347 4.392 7.363) 11.291 35.975 ( 23.582 -14.380 -18.419) 33.199 37.259 ( -8.475 -10.669 -38.293) 40.645 ======================= Grid point 172 (60/126) ======================= q-point: ( 0.40 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 0.561 2.365 2.542) 3.518 1.612 ( 0.010 7.902 1.278) 8.005 2.035 ( 4.606 2.255 7.154) 8.802 2.145 ( -6.750 0.974 5.939) 9.044 2.677 ( 1.910 -3.182 -2.005) 4.218 2.700 ( -0.128 -2.805 2.677) 3.880 4.776 ( 18.978 11.385 26.177) 34.278 5.144 ( 21.754 17.520 21.547) 35.276 5.298 ( -22.539 7.595 23.195) 33.222 5.677 ( -28.098 17.886 21.096) 39.426 6.650 ( 6.335 -2.983 12.330) 14.180 6.889 ( -7.599 2.329 13.553) 15.711 7.412 ( 0.425 10.568 13.326) 17.013 7.607 ( 5.684 13.526 4.196) 15.260 8.120 ( 8.080 5.141 18.479) 20.813 8.183 ( 2.384 4.923 24.877) 25.472 8.917 ( 17.992 16.155 -4.858) 24.664 9.315 ( -22.319 -0.877 2.678) 22.496 10.182 ( 13.698 10.474 12.904) 21.537 10.441 ( -12.491 9.786 12.130) 19.973 11.586 ( 5.481 -4.005 -2.554) 7.252 11.938 ( -6.435 1.916 -1.710) 6.928 12.223 ( -1.662 -3.963 -3.021) 5.253 12.689 ( -8.860 10.950 2.618) 14.327 13.970 ( 8.644 -19.764 -6.212) 22.448 14.045 ( 2.822 -17.610 -4.796) 18.468 14.581 ( 6.210 6.728 -5.068) 10.465 14.647 ( 2.700 6.627 -4.878) 8.660 15.303 ( 3.527 -1.612 -9.028) 9.825 15.647 ( -21.438 2.050 -14.982) 26.234 16.730 ( 10.783 -13.491 13.360) 21.835 17.196 ( -10.451 -17.792 10.492) 23.149 17.453 ( 6.466 1.235 -13.293) 14.833 17.917 ( 3.231 -4.055 -8.860) 10.266 18.287 ( 4.207 -3.374 -3.045) 6.193 18.352 ( -4.334 -2.692 -2.508) 5.686 18.795 ( 0.601 -1.011 2.166) 2.465 19.171 ( -6.099 0.084 0.251) 6.105 19.666 ( 19.214 7.506 -9.269) 22.615 20.069 ( -21.020 12.550 -9.481) 26.253 20.614 ( 10.220 -4.448 -12.287) 16.589 20.849 ( -4.589 1.707 -14.074) 14.902 21.703 ( -1.557 -8.998 -24.807) 26.435 21.977 ( 0.837 0.740 -26.280) 26.304 22.457 ( 3.324 -7.096 -2.836) 8.333 22.722 ( -2.903 0.518 -6.013) 6.697 23.586 ( 0.991 -9.927 -17.083) 19.783 23.681 ( -0.537 -11.626 -8.180) 14.226 24.267 ( 6.885 8.870 -1.054) 11.278 24.420 ( -9.778 -0.850 -5.075) 11.049 24.995 ( 3.722 4.807 -4.734) 7.706 25.113 ( -5.988 3.736 -0.644) 7.088 26.546 ( 2.002 -15.827 5.283) 16.805 26.919 ( -8.719 -7.258 -1.561) 11.451 27.835 ( 7.465 -14.901 12.383) 20.763 28.129 ( -2.598 -9.609 7.308) 12.349 29.222 ( 0.210 5.079 10.392) 11.568 29.363 ( -5.712 6.675 16.419) 18.621 29.970 ( 1.098 1.912 0.493) 2.259 30.226 ( -0.027 1.149 9.301) 9.371 30.556 ( 9.277 11.816 6.500) 16.368 30.714 ( -7.178 17.988 2.691) 19.553 31.172 ( 9.205 10.230 -2.382) 13.966 31.458 ( -9.009 9.505 -1.193) 13.150 32.472 ( 1.052 -0.857 9.830) 9.923 32.720 ( 2.500 5.435 14.555) 15.737 33.025 ( 3.891 1.079 25.816) 26.129 33.154 ( -5.390 4.512 30.143) 30.952 34.723 ( 5.017 -0.006 13.329) 14.242 34.945 ( -5.378 5.994 12.460) 14.836 36.417 ( 19.601 -20.399 -31.253) 42.155 37.049 ( -11.987 -7.361 -36.766) 39.366 ======================= Grid point 175 (61/126) ======================= q-point: ( 0.00 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.000 7.633 0.980) 7.696 1.779 ( 0.000 8.714 0.180) 8.716 2.044 ( 0.000 3.420 5.453) 6.437 2.307 ( 0.000 -0.968 8.179) 8.236 2.513 ( 0.000 -4.684 -8.391) 9.610 2.640 ( 0.000 -2.621 3.889) 4.689 4.887 ( 0.000 19.508 22.811) 30.015 5.118 ( 0.000 32.846 26.305) 42.081 6.064 ( 0.000 -14.590 -1.162) 14.636 6.281 ( 0.000 10.586 2.100) 10.793 6.776 ( 0.000 8.092 10.726) 13.437 7.278 ( 0.000 11.705 5.378) 12.881 7.348 ( 0.000 6.636 14.275) 15.742 7.759 ( 0.000 30.952 25.197) 39.912 7.953 ( 0.000 19.233 34.113) 39.161 8.617 ( 0.000 27.282 21.628) 34.816 9.138 ( 0.000 23.044 1.525) 23.094 9.734 ( 0.000 7.277 10.516) 12.788 9.991 ( 0.000 -0.318 16.823) 16.826 10.953 ( 0.000 7.843 5.325) 9.480 11.359 ( 0.000 5.915 -10.317) 11.892 11.945 ( 0.000 0.115 -2.360) 2.362 12.717 ( 0.000 -11.614 7.161) 13.644 12.961 ( 0.000 3.827 -7.169) 8.126 13.440 ( 0.000 -1.325 -13.902) 13.965 13.603 ( 0.000 -8.127 -1.217) 8.218 14.347 ( 0.000 -7.755 2.408) 8.120 14.597 ( 0.000 4.173 7.190) 8.313 15.401 ( 0.000 -2.481 -8.093) 8.465 16.188 ( 0.000 -6.631 0.615) 6.660 16.461 ( 0.000 1.883 -8.484) 8.690 16.571 ( 0.000 -29.153 2.570) 29.266 17.319 ( 0.000 -7.310 -11.681) 13.779 17.491 ( 0.000 -15.503 11.200) 19.125 18.169 ( 0.000 7.582 -22.700) 23.932 18.565 ( 0.000 -4.980 -7.902) 9.340 18.900 ( 0.000 -3.186 -3.869) 5.012 19.294 ( 0.000 -5.970 2.239) 6.376 19.396 ( 0.000 14.123 0.829) 14.147 20.127 ( 0.000 -9.784 -19.968) 22.236 20.661 ( 0.000 -6.710 -17.044) 18.317 20.977 ( 0.000 9.908 -12.182) 15.702 21.643 ( 0.000 -8.476 -16.608) 18.646 21.711 ( 0.000 -10.173 -17.992) 20.669 22.440 ( 0.000 4.246 -6.331) 7.623 22.754 ( 0.000 -3.535 -10.305) 10.894 23.440 ( 0.000 -8.889 -13.224) 15.934 23.467 ( 0.000 -3.679 -4.647) 5.927 24.309 ( 0.000 -23.841 1.175) 23.870 24.340 ( 0.000 8.502 10.124) 13.220 25.065 ( 0.000 4.208 -11.574) 12.315 25.278 ( 0.000 5.555 -14.738) 15.750 26.293 ( 0.000 -17.749 14.195) 22.727 26.786 ( 0.000 -21.055 6.437) 22.017 27.623 ( 0.000 7.127 -15.805) 17.338 27.872 ( 0.000 -17.534 -1.243) 17.578 29.459 ( 0.000 4.815 5.843) 7.572 29.825 ( 0.000 13.419 15.856) 20.772 29.863 ( 0.000 -0.973 1.904) 2.139 30.242 ( 0.000 6.605 11.243) 13.040 30.491 ( 0.000 9.733 17.273) 19.826 31.252 ( 0.000 17.532 -1.558) 17.601 31.298 ( 0.000 14.198 11.949) 18.557 31.854 ( 0.000 4.145 11.356) 12.089 32.479 ( 0.000 6.613 6.471) 9.252 32.759 ( 0.000 12.277 11.487) 16.813 32.906 ( 0.000 0.647 7.441) 7.469 33.441 ( 0.000 7.415 28.559) 29.506 34.598 ( 0.000 0.439 9.626) 9.636 35.311 ( 0.000 8.859 5.596) 10.479 35.423 ( 0.000 -14.281 -8.395) 16.566 37.010 ( 0.000 -20.064 -28.322) 34.709 ======================= Grid point 176 (62/126) ======================= q-point: ( 0.20 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 1.410 7.647 0.566) 7.796 1.782 ( 0.275 8.699 0.107) 8.704 2.051 ( 1.015 3.404 5.299) 6.380 2.258 ( -4.476 -0.440 5.915) 7.430 2.546 ( 2.790 -4.650 -5.374) 7.635 2.639 ( -0.223 -3.137 2.870) 4.257 4.886 ( 3.033 18.984 21.064) 28.518 5.310 ( 16.683 30.389 24.644) 42.534 5.812 ( -20.238 -1.054 2.666) 20.440 6.322 ( -2.342 5.211 7.304) 9.273 6.677 ( -7.422 9.676 13.400) 18.118 7.131 ( -7.823 7.853 8.044) 13.696 7.487 ( 8.800 12.941 11.245) 19.270 7.845 ( 2.359 21.327 20.926) 29.972 8.083 ( 14.987 16.758 30.134) 37.596 8.576 ( -2.048 29.476 22.689) 37.253 9.214 ( 5.328 23.644 -0.327) 24.239 9.522 ( -15.352 -2.792 14.380) 21.219 10.176 ( 14.161 10.321 12.462) 21.503 10.881 ( -6.577 11.503 5.034) 14.174 11.444 ( 6.709 3.452 -7.951) 10.961 11.963 ( 1.274 -2.091 -2.163) 3.267 12.377 ( -20.438 -3.987 0.204) 20.824 13.085 ( -6.833 3.430 2.801) 8.143 13.421 ( 7.499 -9.507 -12.205) 17.192 13.675 ( 5.595 -8.622 -3.097) 10.735 14.467 ( 10.742 -6.818 -0.078) 12.723 14.606 ( 1.690 2.690 5.891) 6.693 15.325 ( -6.779 -3.202 -7.060) 10.298 16.022 ( -17.881 -4.874 -11.724) 21.930 16.402 ( 3.529 -3.860 8.898) 10.321 16.760 ( 9.135 -21.992 -0.646) 23.822 17.362 ( 4.103 -4.965 -12.201) 13.797 17.497 ( 2.087 -17.832 7.457) 19.441 18.216 ( 4.034 5.890 -18.812) 20.121 18.518 ( -5.074 -2.454 -6.264) 8.426 18.810 ( -6.287 -2.178 -4.080) 7.805 19.219 ( -8.549 -11.315 -3.519) 14.612 19.551 ( 15.400 16.134 -2.359) 22.429 20.227 ( 8.569 -11.400 -15.200) 20.843 20.586 ( -7.171 0.684 -14.720) 16.388 20.956 ( -2.254 6.255 -14.159) 15.643 21.581 ( -4.433 -8.874 -19.079) 21.503 21.780 ( 4.980 -10.317 -15.063) 18.924 22.424 ( -1.493 3.179 -6.971) 7.805 22.742 ( -1.194 -2.578 -5.547) 6.232 23.399 ( -1.428 -7.815 -13.911) 16.019 23.511 ( 1.548 -5.211 -5.435) 7.687 24.183 ( -8.041 -16.773 1.422) 18.655 24.468 ( 8.767 4.186 4.931) 10.895 25.005 ( -4.047 0.784 -7.527) 8.582 25.319 ( 1.184 6.737 -11.348) 13.250 26.255 ( -2.621 -15.160 9.823) 18.253 26.775 ( -1.562 -17.096 4.079) 17.645 27.582 ( -2.345 0.263 -10.422) 10.686 27.889 ( 0.492 -15.264 -2.115) 15.418 29.433 ( -2.998 7.614 6.356) 10.362 29.617 ( -10.681 4.156 14.019) 18.107 30.002 ( 5.481 7.237 7.240) 11.612 30.244 ( -0.082 3.581 8.743) 9.448 30.592 ( 9.765 10.372 16.553) 21.839 31.219 ( -1.072 19.025 -0.299) 19.057 31.352 ( 2.252 13.485 9.916) 16.889 31.763 ( -7.858 4.466 10.420) 13.794 32.511 ( 2.721 7.206 4.532) 8.937 32.782 ( 1.015 7.248 8.926) 11.543 32.958 ( 6.128 4.081 14.353) 16.131 33.399 ( -4.404 7.742 27.651) 29.050 34.645 ( 4.483 0.491 9.071) 10.130 35.174 ( -7.230 3.848 3.703) 8.988 35.670 ( 18.147 -12.337 -10.385) 24.277 36.942 ( -7.021 -19.419 -27.810) 34.638 ======================= Grid point 177 (63/126) ======================= q-point: ( 0.40 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.896 7.634 -0.106) 7.687 1.787 ( 0.157 8.685 0.001) 8.686 2.089 ( 3.112 2.683 4.795) 6.314 2.167 ( -4.832 1.147 4.535) 6.726 2.595 ( 2.299 -4.565 -2.005) 5.491 2.627 ( -1.145 -4.047 0.663) 4.257 5.040 ( 13.538 14.379 15.464) 25.083 5.368 ( -18.880 8.383 7.474) 21.968 5.721 ( 19.625 26.122 25.099) 41.201 6.103 ( -19.174 18.962 18.985) 32.979 6.636 ( 1.599 4.600 9.740) 10.890 7.012 ( -4.570 9.129 9.421) 13.892 7.609 ( 3.307 5.952 11.554) 13.411 7.863 ( 0.730 10.757 18.117) 21.083 8.346 ( 10.507 24.622 23.496) 35.618 8.574 ( 0.069 29.634 22.357) 37.122 9.185 ( -7.180 3.316 6.801) 10.430 9.374 ( 0.170 12.299 8.564) 14.988 10.448 ( 13.923 13.858 9.415) 21.784 10.730 ( -9.623 17.043 5.195) 20.250 11.554 ( 5.308 1.001 -3.569) 6.474 11.836 ( -12.423 -7.192 -0.728) 14.374 12.283 ( 7.868 3.609 -6.036) 10.553 12.816 ( -14.676 -0.625 2.843) 14.962 13.622 ( 9.832 -11.537 -4.974) 15.954 13.729 ( -1.187 -9.717 -2.326) 10.062 14.636 ( 5.620 -3.138 0.389) 6.449 14.676 ( 4.097 -2.983 -0.837) 5.137 15.229 ( -1.718 -5.447 -4.423) 7.224 15.685 ( -14.246 1.290 -15.213) 20.882 16.517 ( 6.221 -6.128 10.597) 13.731 16.805 ( -2.549 -16.088 3.447) 16.650 17.462 ( 4.493 -4.307 -14.311) 15.606 17.571 ( 4.542 -22.993 2.200) 23.540 18.254 ( -1.056 -0.508 -1.356) 1.792 18.425 ( -2.579 5.794 -17.174) 18.308 18.743 ( -0.976 -4.183 -2.455) 4.947 19.063 ( -6.139 -8.474 -10.461) 14.796 19.854 ( 14.462 7.349 -9.527) 18.813 20.269 ( -7.108 2.501 -3.932) 8.500 20.527 ( 3.468 -2.781 -14.493) 15.159 20.895 ( -3.537 4.101 -17.122) 17.958 21.515 ( -2.104 -9.284 -20.646) 22.735 21.855 ( 2.489 -10.669 -12.550) 16.659 22.399 ( -0.893 1.316 -6.790) 6.974 22.719 ( -0.900 -1.033 0.381) 1.423 23.409 ( 2.120 -7.545 -16.144) 17.946 23.497 ( -2.580 -6.424 -5.911) 9.103 24.067 ( -3.433 -17.285 -1.153) 17.660 24.620 ( 5.756 11.028 -1.967) 12.595 24.962 ( -0.370 -5.980 -0.408) 6.005 25.274 ( -4.267 8.085 -1.828) 9.323 26.241 ( 0.751 -11.941 -0.170) 11.966 26.729 ( -2.381 -9.813 0.236) 10.100 27.581 ( 1.531 -8.893 -3.178) 9.567 27.869 ( -1.908 -13.632 -2.236) 13.945 29.380 ( -1.366 8.925 8.476) 12.384 29.475 ( -4.640 4.027 17.496) 18.543 30.078 ( 2.725 7.528 1.023) 8.071 30.231 ( -0.968 1.123 11.318) 11.415 30.792 ( 9.956 10.296 17.356) 22.503 31.136 ( -7.645 19.549 1.312) 21.032 31.430 ( 6.616 13.004 3.763) 15.067 31.620 ( -7.128 5.907 10.801) 14.225 32.555 ( 1.590 8.250 2.362) 8.727 32.780 ( -0.610 2.222 8.481) 8.788 33.107 ( 8.614 5.594 22.588) 24.813 33.288 ( -7.087 9.456 24.544) 27.240 34.726 ( 3.094 0.110 8.396) 8.948 35.077 ( -3.057 5.203 4.588) 7.581 35.982 ( 12.271 -19.157 -17.956) 28.983 36.789 ( -7.247 -17.080 -26.174) 32.083 ======================= Grid point 180 (64/126) ======================= q-point: ( 0.00 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 0.000 9.964 -2.520) 10.278 1.950 ( 0.000 7.782 -0.306) 7.788 2.099 ( 0.000 1.890 2.077) 2.808 2.281 ( 0.000 -1.559 5.767) 5.974 2.424 ( 0.000 -3.820 -5.854) 6.990 2.574 ( 0.000 -3.833 -0.388) 3.853 5.334 ( 0.000 22.501 17.283) 28.373 5.625 ( 0.000 10.611 12.658) 16.518 5.826 ( 0.000 -3.492 -1.741) 3.902 6.488 ( 0.000 10.356 -1.029) 10.407 6.927 ( 0.000 8.636 2.476) 8.983 7.582 ( 0.000 16.354 18.611) 24.776 7.661 ( 0.000 22.362 18.445) 28.988 8.270 ( 0.000 17.712 31.717) 36.327 8.355 ( 0.000 17.148 32.418) 36.674 9.275 ( 0.000 29.416 16.839) 33.895 9.410 ( 0.000 8.939 18.044) 20.137 9.928 ( 0.000 17.067 11.300) 20.469 10.213 ( 0.000 17.083 -3.528) 17.443 11.099 ( 0.000 6.108 -1.722) 6.346 11.375 ( 0.000 -7.392 2.099) 7.685 12.008 ( 0.000 6.048 2.144) 6.417 12.471 ( 0.000 -7.351 5.508) 9.186 13.009 ( 0.000 0.462 -3.801) 3.829 13.433 ( 0.000 -5.275 0.601) 5.309 13.631 ( 0.000 17.673 -17.215) 24.672 14.076 ( 0.000 -17.255 6.287) 18.365 14.663 ( 0.000 -0.019 14.220) 14.220 15.342 ( 0.000 -2.900 -4.662) 5.490 15.810 ( 0.000 -31.733 -11.875) 33.882 16.285 ( 0.000 3.288 9.209) 9.778 16.501 ( 0.000 2.505 -4.974) 5.569 17.102 ( 0.000 -13.755 -11.118) 17.686 17.264 ( 0.000 -6.405 5.521) 8.456 18.329 ( 0.000 5.537 -19.431) 20.204 18.386 ( 0.000 -12.297 -15.243) 19.585 18.854 ( 0.000 -1.285 -4.372) 4.557 18.980 ( 0.000 -15.821 -7.629) 17.564 19.750 ( 0.000 11.507 -6.975) 13.456 19.893 ( 0.000 -12.745 -21.168) 24.709 20.528 ( 0.000 -3.746 -15.617) 16.060 21.047 ( 0.000 -2.421 -11.546) 11.797 21.470 ( 0.000 -8.355 -11.858) 14.506 21.539 ( 0.000 -7.013 -9.562) 11.858 22.509 ( 0.000 1.992 -1.366) 2.415 22.666 ( 0.000 -4.988 -6.903) 8.517 23.304 ( 0.000 -4.939 -13.364) 14.247 23.406 ( 0.000 -2.579 -1.967) 3.244 23.866 ( 0.000 -17.704 4.642) 18.303 24.430 ( 0.000 0.756 19.377) 19.391 25.206 ( 0.000 9.662 -13.777) 16.827 25.340 ( 0.000 0.736 -17.583) 17.598 26.002 ( 0.000 -10.114 10.996) 14.940 26.472 ( 0.000 -10.033 -2.024) 10.235 27.488 ( 0.000 -19.074 -7.689) 20.565 27.763 ( 0.000 6.142 -19.579) 20.519 29.492 ( 0.000 -0.276 2.045) 2.063 29.888 ( 0.000 2.229 -0.526) 2.290 30.096 ( 0.000 12.061 13.511) 18.111 30.356 ( 0.000 4.736 13.197) 14.021 30.698 ( 0.000 9.962 27.437) 29.189 31.435 ( 0.000 0.284 20.683) 20.685 31.590 ( 0.000 14.055 -0.319) 14.059 31.844 ( 0.000 -3.427 22.908) 23.163 32.720 ( 0.000 15.546 4.396) 16.156 32.986 ( 0.000 6.020 0.512) 6.042 33.044 ( 0.000 15.026 3.172) 15.357 33.592 ( 0.000 7.641 19.009) 20.487 34.584 ( 0.000 -1.780 7.587) 7.793 35.157 ( 0.000 -11.883 -10.709) 15.996 35.501 ( 0.000 9.184 7.060) 11.584 36.578 ( 0.000 -20.637 -15.277) 25.676 ======================= Grid point 181 (65/126) ======================= q-point: ( 0.20 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 1.052 9.678 -2.588) 10.073 1.951 ( 0.057 7.592 -0.232) 7.596 2.108 ( 0.981 2.034 2.225) 3.170 2.245 ( -3.086 -0.758 4.121) 5.203 2.453 ( 2.487 -4.243 -3.913) 6.285 2.566 ( -0.904 -4.028 -0.732) 4.193 5.298 ( -0.587 19.993 13.737) 24.264 5.748 ( -6.839 -2.153 -1.204) 7.270 5.814 ( 14.583 14.704 17.482) 27.101 6.434 ( -3.950 7.187 2.522) 8.580 6.893 ( -2.564 12.444 5.042) 13.669 7.434 ( -8.073 21.180 10.787) 25.103 7.843 ( 5.549 17.815 18.801) 26.489 8.075 ( -9.588 8.540 40.184) 42.185 8.548 ( 14.525 18.984 20.803) 31.688 9.260 ( 0.611 28.044 17.706) 33.172 9.505 ( 6.402 11.130 17.849) 21.988 9.709 ( -15.783 23.648 8.780) 29.756 10.437 ( 16.465 13.734 0.924) 21.461 11.065 ( -2.647 5.932 -1.064) 6.582 11.471 ( 7.627 -5.656 0.841) 9.533 11.956 ( -5.594 3.052 2.539) 6.860 12.252 ( -14.432 -4.847 2.678) 15.458 13.074 ( -9.804 -1.053 0.818) 9.894 13.322 ( 4.830 -2.058 -5.023) 7.266 13.729 ( 5.357 13.708 -8.753) 17.124 14.210 ( 12.298 -16.502 4.350) 21.035 14.607 ( -4.719 -4.348 12.190) 13.776 15.246 ( -7.573 -3.709 -3.589) 9.164 15.838 ( -3.172 -16.283 -14.004) 21.710 16.297 ( 4.385 -2.318 8.455) 9.802 16.546 ( 5.363 -0.038 -3.909) 6.636 17.122 ( -0.867 -14.657 -2.616) 14.914 17.249 ( 0.818 -8.726 -3.209) 9.333 18.311 ( -3.100 -2.531 -10.300) 11.050 18.400 ( 1.938 -5.479 -18.139) 19.048 18.772 ( -5.850 -1.935 -7.571) 9.761 18.970 ( -2.515 -9.524 -12.153) 15.644 19.797 ( 3.780 2.256 -12.393) 13.152 19.982 ( 9.665 -9.163 -14.649) 19.798 20.508 ( -2.316 -5.352 -16.331) 17.341 21.058 ( -0.053 2.685 -9.714) 10.079 21.381 ( -5.012 -10.841 -13.664) 18.148 21.614 ( 4.507 -5.278 -6.723) 9.663 22.481 ( -2.499 1.760 -5.862) 6.611 22.668 ( 0.017 -4.773 0.761) 4.833 23.268 ( -2.108 -5.230 -14.795) 15.833 23.425 ( 0.120 -3.891 -1.878) 4.322 23.830 ( -2.743 -13.476 2.018) 13.899 24.503 ( 6.525 -2.328 20.051) 21.214 25.052 ( -8.188 4.044 -12.544) 15.516 25.441 ( 1.976 5.842 -14.785) 16.020 26.008 ( 2.187 -8.850 5.273) 10.531 26.505 ( 2.972 -9.220 -1.498) 9.802 27.471 ( -1.528 -13.841 -9.794) 17.024 27.719 ( -4.128 1.206 -15.793) 16.368 29.506 ( 0.985 0.637 2.371) 2.645 29.724 ( -11.550 5.659 7.055) 14.669 30.177 ( 4.114 8.577 10.597) 14.240 30.332 ( -1.887 4.863 11.127) 12.289 30.787 ( 8.495 8.405 26.032) 28.643 31.442 ( -0.388 -0.504 19.656) 19.666 31.605 ( 1.172 14.089 0.962) 14.170 31.806 ( -2.894 0.281 18.873) 19.096 32.722 ( 0.251 12.489 6.894) 14.268 32.927 ( -3.584 7.512 1.800) 8.516 33.148 ( 7.699 12.948 3.452) 15.454 33.567 ( -2.491 8.842 18.066) 20.267 34.632 ( 4.530 -1.981 6.264) 7.980 35.118 ( -3.330 -9.116 -9.455) 13.549 35.592 ( 8.505 3.953 4.561) 10.429 36.525 ( -5.321 -19.797 -14.917) 25.352 ======================= Grid point 182 (66/126) ======================= q-point: ( 0.40 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.661 9.217 -2.734) 9.636 1.952 ( 0.008 7.265 -0.076) 7.265 2.135 ( 1.901 1.835 2.584) 3.695 2.188 ( -2.839 0.749 3.043) 4.229 2.499 ( 2.163 -4.720 -2.420) 5.728 2.542 ( -1.539 -4.297 -1.375) 4.767 5.358 ( 6.783 15.590 10.007) 19.728 5.555 ( -11.327 10.035 4.784) 15.871 6.088 ( 10.979 6.319 12.678) 17.922 6.375 ( -2.650 10.326 14.045) 17.632 6.887 ( 2.075 17.287 10.547) 20.356 7.282 ( -7.449 18.357 1.624) 19.877 7.719 ( -8.160 6.569 24.004) 26.191 8.099 ( 3.842 15.363 34.239) 37.724 8.831 ( 13.030 6.647 9.093) 17.224 9.278 ( -1.416 37.736 17.677) 41.695 9.438 ( -8.133 32.377 16.522) 37.248 9.604 ( 1.979 7.141 16.383) 17.981 10.709 ( 10.670 11.365 0.433) 15.595 11.016 ( -2.464 8.341 -0.285) 8.702 11.570 ( 4.327 -2.852 2.590) 5.793 11.739 ( -14.337 -2.909 3.792) 15.113 12.265 ( 14.301 -1.692 -2.951) 14.700 12.703 ( -22.472 -5.265 -1.587) 23.135 13.551 ( 12.943 3.158 1.842) 13.450 13.743 ( -4.482 8.560 -1.714) 9.813 14.432 ( 8.936 -13.666 3.313) 16.661 14.540 ( -2.211 -10.807 6.467) 12.786 15.131 ( -3.749 -2.825 -2.294) 5.225 15.689 ( -7.730 -1.825 -14.888) 16.874 16.450 ( 8.984 -2.853 7.002) 11.742 16.612 ( -0.964 -1.788 -3.038) 3.654 17.100 ( 0.798 -19.695 3.803) 20.075 17.279 ( 0.645 -14.013 -12.085) 18.516 18.236 ( -3.404 -2.070 0.313) 3.996 18.419 ( -0.218 -8.708 -16.817) 18.939 18.732 ( 1.710 4.348 -15.379) 16.073 18.889 ( -4.923 -6.638 -17.165) 19.050 19.853 ( 1.822 -7.983 -16.348) 18.284 20.200 ( 11.062 -5.861 -11.640) 17.094 20.442 ( -4.541 -6.549 -14.711) 16.731 20.998 ( -4.648 1.003 -11.420) 12.370 21.358 ( 1.380 -3.136 -12.453) 12.916 21.671 ( 1.425 -5.865 -2.630) 6.584 22.442 ( -1.232 1.791 -9.583) 9.827 22.665 ( -0.202 -4.465 8.603) 9.694 23.257 ( 0.735 -7.850 -15.976) 17.816 23.384 ( -3.375 -5.252 -3.068) 6.956 23.804 ( -0.108 -5.961 -1.738) 6.210 24.594 ( 2.060 -10.853 22.066) 24.676 24.999 ( 1.942 8.213 -15.132) 17.326 25.372 ( -6.113 2.169 -2.513) 6.956 26.083 ( 3.741 -4.019 -9.040) 10.577 26.550 ( 1.333 -7.635 0.434) 7.763 27.456 ( 0.289 -5.012 -14.299) 15.155 27.638 ( -3.657 -7.727 -8.784) 12.257 29.517 ( 0.548 3.129 6.000) 6.789 29.561 ( -5.289 5.592 9.929) 12.563 30.235 ( 2.873 6.952 8.353) 11.240 30.292 ( -2.635 4.826 10.533) 11.882 30.956 ( 7.808 5.672 26.330) 28.043 31.364 ( -6.200 1.018 15.548) 16.769 31.665 ( 4.911 11.486 7.603) 14.623 31.757 ( -2.979 6.802 9.043) 11.701 32.731 ( 0.544 7.825 11.245) 13.710 32.870 ( -2.094 6.872 2.700) 7.675 33.276 ( 4.855 11.843 5.144) 13.794 33.514 ( -2.558 11.651 16.174) 20.097 34.713 ( 3.113 -1.796 4.769) 5.971 35.064 ( -1.926 -7.635 -9.262) 12.156 35.749 ( 6.325 -2.639 1.765) 7.077 36.416 ( -4.765 -17.788 -14.278) 23.302 ======================= Grid point 185 (67/126) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 0.000 8.321 -3.297) 8.950 2.089 ( 0.000 5.646 0.207) 5.650 2.123 ( 0.000 0.589 0.630) 0.862 2.245 ( 0.000 -1.860 2.401) 3.037 2.363 ( 0.000 -2.185 -3.864) 4.439 2.487 ( 0.000 -4.563 -3.334) 5.652 5.538 ( 0.000 -7.173 1.586) 7.346 5.718 ( 0.000 13.530 11.661) 17.861 5.937 ( 0.000 3.766 -3.286) 4.998 6.753 ( 0.000 15.589 2.581) 15.801 7.177 ( 0.000 15.159 4.400) 15.784 7.947 ( 0.000 17.994 16.957) 24.725 8.025 ( 0.000 9.854 45.501) 46.556 8.562 ( 0.000 12.216 38.769) 40.648 8.669 ( 0.000 17.309 12.659) 21.444 9.484 ( 0.000 -2.948 9.987) 10.412 9.582 ( 0.000 5.181 4.930) 7.152 10.487 ( 0.000 16.839 8.452) 18.842 10.530 ( 0.000 12.476 -6.492) 14.064 11.163 ( 0.000 -0.612 -4.272) 4.316 11.174 ( 0.000 3.762 13.407) 13.925 12.192 ( 0.000 12.209 3.934) 12.827 12.498 ( 0.000 7.815 11.346) 13.777 12.992 ( 0.000 -1.299 5.702) 5.848 13.468 ( 0.000 8.400 6.991) 10.928 13.609 ( 0.000 -21.830 7.672) 23.139 14.125 ( 0.000 20.919 -20.712) 29.438 14.539 ( 0.000 -12.238 18.602) 22.267 15.192 ( 0.000 -24.748 -10.229) 26.779 15.298 ( 0.000 -1.245 -4.009) 4.197 16.378 ( 0.000 -1.419 0.736) 1.599 16.585 ( 0.000 5.935 -1.659) 6.162 16.856 ( 0.000 -3.581 -9.095) 9.775 17.224 ( 0.000 2.174 -1.376) 2.573 18.068 ( 0.000 -18.524 -15.098) 23.898 18.184 ( 0.000 -20.999 -5.938) 21.822 18.852 ( 0.000 0.978 -10.600) 10.645 18.877 ( 0.000 7.303 -25.115) 26.155 19.636 ( 0.000 -11.586 -20.468) 23.520 19.764 ( 0.000 -8.826 -23.872) 25.451 20.604 ( 0.000 10.205 -4.092) 10.995 20.964 ( 0.000 -3.764 -9.466) 10.187 21.302 ( 0.000 -8.179 -8.405) 11.728 21.377 ( 0.000 -9.201 -3.506) 9.846 22.517 ( 0.000 -0.825 4.027) 4.111 22.565 ( 0.000 -4.395 -2.652) 5.133 23.219 ( 0.000 -3.616 -14.345) 14.794 23.354 ( 0.000 -2.553 -1.037) 2.756 23.623 ( 0.000 -6.425 2.965) 7.076 24.418 ( 0.000 -0.923 24.420) 24.437 25.325 ( 0.000 -1.570 -20.256) 20.317 25.440 ( 0.000 12.528 -13.361) 18.316 25.874 ( 0.000 -3.203 8.106) 8.716 26.332 ( 0.000 -5.034 -8.099) 9.536 27.129 ( 0.000 -15.213 -12.484) 19.680 27.864 ( 0.000 3.739 -21.113) 21.442 29.480 ( 0.000 -0.635 1.380) 1.519 29.929 ( 0.000 1.573 -4.824) 5.074 30.289 ( 0.000 6.720 13.409) 14.999 30.449 ( 0.000 4.420 14.195) 14.867 30.882 ( 0.000 7.888 34.995) 35.873 31.378 ( 0.000 -4.579 22.590) 23.049 31.645 ( 0.000 -6.134 25.290) 26.024 31.918 ( 0.000 8.815 0.645) 8.839 33.024 ( 0.000 12.580 10.231) 16.215 33.105 ( 0.000 4.888 6.781) 8.359 33.347 ( 0.000 13.925 -8.313) 16.218 33.763 ( 0.000 9.157 1.140) 9.228 34.530 ( 0.000 -3.363 9.368) 9.954 34.920 ( 0.000 -11.585 -7.712) 13.917 35.665 ( 0.000 6.509 6.747) 9.375 36.225 ( 0.000 -13.066 -4.914) 13.960 ======================= Grid point 186 (68/126) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 0.499 8.022 -3.293) 8.686 2.082 ( -0.481 4.780 0.393) 4.820 2.140 ( 1.497 1.590 0.825) 2.335 2.228 ( -1.517 -0.852 1.939) 2.605 2.378 ( 1.448 -3.095 -3.416) 4.831 2.477 ( -1.035 -4.532 -3.375) 5.745 5.570 ( 2.687 3.114 2.088) 4.613 5.754 ( 3.133 6.438 9.609) 11.983 5.962 ( 3.476 0.755 1.800) 3.987 6.646 ( -8.702 13.199 4.581) 16.460 7.227 ( 3.258 18.424 4.730) 19.299 7.854 ( -7.904 14.495 13.532) 21.346 8.047 ( -3.149 9.188 41.146) 42.277 8.423 ( -2.711 20.976 31.693) 38.102 8.792 ( 4.926 8.722 18.482) 21.022 9.475 ( 3.723 -1.127 10.118) 10.840 9.715 ( 8.936 6.901 8.548) 14.162 10.383 ( -6.665 26.239 5.201) 27.568 10.691 ( 11.782 5.009 -3.040) 13.158 11.063 ( -4.272 -2.966 -1.120) 5.320 11.313 ( 7.836 2.021 7.501) 11.034 12.062 ( -15.064 8.445 6.079) 18.308 12.328 ( -7.051 10.608 8.547) 15.339 13.132 ( -9.187 5.183 10.480) 14.869 13.275 ( 4.311 -4.198 2.185) 6.402 13.803 ( 11.399 -14.900 7.665) 20.266 14.131 ( 1.029 11.157 -8.572) 14.107 14.477 ( -3.111 -0.899 8.090) 8.714 15.181 ( -3.187 -4.690 -3.866) 6.863 15.427 ( 10.817 -18.849 -8.972) 23.511 16.357 ( -3.164 3.238 0.224) 4.533 16.581 ( 4.707 -0.083 -2.323) 5.250 16.869 ( -1.891 -5.007 -5.138) 7.420 17.145 ( -7.239 -0.681 -4.259) 8.426 18.048 ( -0.283 -17.518 -11.427) 20.917 18.228 ( 2.269 -16.482 -7.951) 18.440 18.741 ( -4.938 1.104 -15.794) 16.585 18.970 ( 2.372 7.574 -22.635) 23.986 19.599 ( -0.768 -13.196 -19.727) 23.747 19.869 ( 8.841 -8.543 -22.935) 26.022 20.465 ( -10.030 1.572 -9.195) 13.698 21.043 ( -8.740 -7.382 -6.533) 13.175 21.202 ( 9.641 -2.147 -6.053) 11.584 21.532 ( 7.923 -3.633 -3.362) 9.342 22.490 ( -2.364 -0.629 -3.774) 4.497 22.563 ( -0.361 -4.793 5.523) 7.321 23.176 ( -3.593 -3.731 -14.097) 15.019 23.342 ( -2.376 -3.893 0.513) 4.590 23.674 ( 5.931 -2.919 0.495) 6.629 24.433 ( -0.022 -3.141 23.938) 24.144 25.131 ( -7.867 2.899 -15.579) 17.692 25.576 ( -1.701 7.122 -10.833) 13.076 25.888 ( 6.822 -3.020 -0.738) 7.497 26.367 ( 3.003 -5.410 -7.537) 9.751 27.189 ( 6.122 -11.923 -12.639) 18.423 27.772 ( -9.273 2.550 -19.218) 21.490 29.507 ( 2.543 -0.107 1.579) 2.995 29.814 ( -9.602 3.101 -0.176) 10.092 30.325 ( 2.174 5.716 13.157) 14.509 30.434 ( -1.404 4.667 12.273) 13.205 30.932 ( 4.911 5.830 33.814) 34.663 31.354 ( -2.667 -6.173 25.903) 26.762 31.703 ( 5.729 -3.036 18.752) 19.842 31.909 ( -0.908 8.574 0.895) 8.669 32.962 ( -4.907 9.911 12.838) 16.945 33.081 ( -2.735 6.905 4.997) 8.951 33.431 ( 7.500 13.657 -7.719) 17.388 33.761 ( -0.425 9.954 1.385) 10.059 34.565 ( 3.544 -4.344 7.974) 9.748 34.894 ( -2.716 -11.726 -6.886) 13.867 35.706 ( 4.125 5.514 6.344) 9.363 36.189 ( -3.567 -12.290 -4.764) 13.656 ======================= Grid point 187 (69/126) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 0.334 7.563 -3.330) 8.271 2.076 ( -0.200 4.566 0.550) 4.603 2.169 ( 1.539 1.750 1.362) 2.700 2.199 ( -1.534 0.555 1.839) 2.459 2.408 ( 1.563 -4.109 -4.107) 6.016 2.452 ( -1.440 -4.457 -2.730) 5.422 5.615 ( 1.801 9.344 5.969) 11.234 5.775 ( -0.688 10.218 2.367) 10.511 6.086 ( 7.594 -3.450 8.944) 12.230 6.500 ( -6.041 2.301 10.391) 12.238 7.264 ( 0.783 18.381 9.086) 20.519 7.678 ( -7.668 16.541 1.482) 18.292 7.970 ( -2.574 19.014 31.674) 37.033 8.465 ( 2.978 17.924 39.717) 43.676 8.834 ( 0.624 0.329 13.160) 13.179 9.582 ( 4.475 -4.200 20.223) 21.133 9.885 ( 9.552 15.959 4.022) 19.029 10.232 ( -9.076 31.776 6.849) 33.749 10.895 ( 7.753 1.255 -5.393) 9.528 11.014 ( -1.102 -7.299 -5.507) 9.210 11.421 ( 3.498 -2.321 5.802) 7.162 11.764 ( -12.231 12.035 13.774) 22.004 12.369 ( 10.478 8.753 4.213) 14.288 12.743 ( -21.627 7.640 2.590) 23.082 13.541 ( 14.975 -8.648 11.964) 21.028 13.806 ( -9.490 -10.589 13.860) 19.857 14.271 ( 10.880 1.992 -2.895) 11.433 14.448 ( -1.893 9.894 -1.109) 10.134 15.117 ( -2.474 0.728 -3.894) 4.670 15.521 ( -0.452 -16.030 -10.135) 18.971 16.392 ( 7.822 -1.900 1.974) 8.288 16.669 ( -4.895 4.373 -5.648) 8.659 16.815 ( 5.796 -10.974 -0.530) 12.422 16.995 ( -9.410 -7.764 -7.036) 14.083 18.091 ( 4.844 -13.039 -9.009) 16.572 18.201 ( -5.174 -10.482 -6.798) 13.522 18.723 ( 2.405 -1.818 -18.887) 19.126 18.934 ( -4.296 6.315 -23.468) 24.680 19.628 ( 2.296 -10.336 -20.954) 23.477 20.036 ( 7.075 -10.617 -22.782) 26.111 20.323 ( -4.219 -3.410 -10.656) 11.957 20.822 ( -9.388 -14.500 -7.946) 19.014 21.433 ( 9.829 6.480 -3.479) 12.276 21.614 ( 0.663 -0.507 -0.215) 0.862 22.456 ( -0.911 -0.335 -8.237) 8.294 22.553 ( -0.544 -5.614 9.454) 11.009 23.120 ( -1.859 -4.308 -11.209) 12.151 23.281 ( -2.763 -4.862 -0.939) 5.671 23.806 ( 5.997 4.055 -1.803) 7.460 24.377 ( -4.358 -9.044 19.134) 21.608 25.136 ( 7.033 4.290 -9.311) 12.433 25.400 ( -12.148 1.081 -1.807) 12.329 26.059 ( 6.852 1.346 -15.813) 17.286 26.410 ( 1.172 -6.355 -4.822) 8.063 27.342 ( 10.173 -5.346 -14.308) 18.352 27.563 ( -12.301 -1.045 -15.226) 19.602 29.560 ( 3.123 1.561 4.204) 5.465 29.655 ( -6.594 3.221 2.296) 7.689 30.355 ( 1.393 5.094 16.049) 16.896 30.403 ( -1.760 5.003 8.242) 9.801 31.031 ( 4.471 2.108 32.918) 33.287 31.289 ( -3.381 -5.986 27.996) 28.827 31.816 ( 5.328 2.082 9.065) 10.719 31.885 ( -1.838 6.239 2.915) 7.127 32.886 ( -2.587 7.907 17.039) 18.962 33.030 ( -1.922 7.278 3.900) 8.478 33.560 ( 4.972 14.495 -9.135) 17.840 33.743 ( -1.295 10.580 3.007) 11.075 34.639 ( 3.410 -5.509 5.502) 8.500 34.835 ( -2.798 -12.527 -5.563) 13.990 35.788 ( 3.539 3.908 6.158) 8.107 36.116 ( -3.264 -10.937 -4.854) 12.403 ======================= Grid point 190 (70/126) ======================= q-point: ( 0.00 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 0.000 5.376 -0.911) 5.453 2.129 ( 0.000 0.078 0.216) 0.230 2.147 ( 0.000 -1.279 0.837) 1.529 2.233 ( 0.000 1.566 -1.484) 2.157 2.334 ( 0.000 -0.666 -2.819) 2.897 2.400 ( 0.000 -3.295 -5.442) 6.361 5.437 ( 0.000 -2.487 0.722) 2.590 5.884 ( 0.000 3.550 10.105) 10.711 5.956 ( 0.000 -0.396 -8.452) 8.461 7.031 ( 0.000 8.514 2.538) 8.884 7.451 ( 0.000 8.780 6.743) 11.071 8.090 ( 0.000 -0.380 58.039) 58.040 8.292 ( 0.000 14.370 18.033) 23.059 8.701 ( 0.000 -1.169 39.194) 39.212 9.047 ( 0.000 15.109 4.867) 15.874 9.421 ( 0.000 0.260 12.471) 12.473 9.571 ( 0.000 -4.465 -8.333) 9.454 10.302 ( 0.000 -14.707 6.451) 16.059 10.677 ( 0.000 2.139 -13.368) 13.538 11.113 ( 0.000 -2.143 2.531) 3.316 11.716 ( 0.000 27.722 10.053) 29.488 12.482 ( 0.000 13.039 3.432) 13.483 12.629 ( 0.000 0.456 24.291) 24.295 12.927 ( 0.000 -5.227 5.332) 7.467 13.209 ( 0.000 -12.164 10.332) 15.959 13.746 ( 0.000 17.203 18.881) 25.543 14.203 ( 0.000 -18.651 24.004) 30.398 14.292 ( 0.000 -4.668 -26.594) 27.001 15.031 ( 0.000 7.289 -13.418) 15.270 15.288 ( 0.000 -0.013 -8.225) 8.225 16.138 ( 0.000 -13.456 -3.956) 14.025 16.710 ( 0.000 4.516 3.114) 5.486 17.094 ( 0.000 20.869 -5.453) 21.570 17.349 ( 0.000 10.249 -9.190) 13.766 17.662 ( 0.000 -26.445 -5.249) 26.961 17.672 ( 0.000 -18.487 -12.113) 22.101 18.879 ( 0.000 1.087 -15.755) 15.793 19.109 ( 0.000 11.996 -26.586) 29.167 19.457 ( 0.000 -4.986 -19.098) 19.738 19.516 ( 0.000 -12.430 -30.515) 32.949 20.832 ( 0.000 9.620 -2.851) 10.034 20.930 ( 0.000 0.153 -7.504) 7.506 21.137 ( 0.000 -7.317 -5.040) 8.885 21.203 ( 0.000 -6.097 0.010) 6.097 22.496 ( 0.000 -0.816 7.464) 7.508 22.503 ( 0.000 -1.591 -1.200) 1.993 23.162 ( 0.000 -1.624 -14.771) 14.861 23.311 ( 0.000 -1.259 -0.912) 1.555 23.560 ( 0.000 -0.914 1.254) 1.552 24.408 ( 0.000 -0.162 25.131) 25.132 25.298 ( 0.000 -0.814 -22.498) 22.513 25.670 ( 0.000 8.040 -10.340) 13.098 25.841 ( 0.000 -0.550 6.855) 6.877 26.233 ( 0.000 -4.116 -12.024) 12.709 26.905 ( 0.000 -5.864 -15.296) 16.381 27.914 ( 0.000 1.207 -21.612) 21.646 29.471 ( 0.000 -0.214 1.353) 1.370 29.950 ( 0.000 0.525 -7.447) 7.465 30.379 ( 0.000 2.268 13.125) 13.319 30.518 ( 0.000 1.866 15.899) 16.008 31.010 ( 0.000 4.052 41.839) 42.035 31.288 ( 0.000 -3.288 19.436) 19.712 31.535 ( 0.000 -3.283 27.052) 27.251 32.044 ( 0.000 3.049 -1.465) 3.382 33.173 ( 0.000 1.735 13.251) 13.364 33.200 ( 0.000 4.383 14.863) 15.496 33.567 ( 0.000 6.346 -17.497) 18.612 33.937 ( 0.000 6.131 -19.253) 20.206 34.466 ( 0.000 -2.178 13.351) 13.528 34.711 ( 0.000 -7.120 4.493) 8.419 35.756 ( 0.000 2.315 6.199) 6.617 36.054 ( 0.000 -3.934 -0.837) 4.022 ======================= Grid point 191 (71/126) ======================= q-point: ( 0.20 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -0.144 4.994 -1.228) 5.145 2.117 ( -0.504 -0.793 0.614) 1.122 2.172 ( 1.859 -0.082 1.881) 2.646 2.241 ( 0.575 2.923 -2.468) 3.869 2.325 ( -0.580 -2.331 -2.152) 3.225 2.393 ( -0.796 -2.920 -5.940) 6.667 5.567 ( 13.073 -0.614 2.544) 13.332 5.876 ( -0.020 3.445 8.042) 8.749 5.934 ( -1.940 -1.843 -3.886) 4.718 6.888 ( -14.868 7.682 5.576) 17.640 7.519 ( 5.616 7.830 5.641) 11.165 7.972 ( -8.942 1.908 34.483) 35.674 8.336 ( 3.015 13.151 29.150) 32.121 8.689 ( -1.579 1.630 32.187) 32.267 9.026 ( -1.084 13.811 16.018) 21.178 9.387 ( -0.248 -6.213 15.610) 16.803 9.779 ( 16.631 2.495 -6.223) 17.931 10.352 ( 4.834 -15.897 3.994) 17.089 10.693 ( 1.175 1.517 -12.898) 13.040 11.038 ( -7.805 -2.039 0.310) 8.073 11.754 ( 3.346 25.602 8.139) 27.072 12.342 ( -10.978 14.771 8.440) 20.247 12.539 ( -8.874 8.830 12.578) 17.746 12.878 ( 1.069 -21.890 15.138) 26.636 13.409 ( -2.321 6.663 9.287) 11.664 13.538 ( -4.120 -7.472 12.294) 14.965 14.139 ( 6.680 -1.448 15.029) 16.510 14.632 ( 17.944 -0.303 -9.953) 20.522 15.033 ( 0.163 2.146 -10.937) 11.147 15.264 ( -2.420 -2.476 -8.823) 9.478 16.206 ( 6.638 -11.324 -4.928) 14.021 16.631 ( -7.019 4.186 0.390) 8.182 16.989 ( -8.954 9.717 -2.642) 13.475 17.201 ( -11.880 4.300 -8.780) 15.386 17.715 ( 7.265 -11.044 -9.673) 16.380 17.844 ( 10.592 -16.731 -8.740) 21.645 18.785 ( -5.728 1.900 -16.694) 17.751 19.163 ( -5.029 8.425 -25.071) 26.923 19.392 ( 5.843 -5.468 -21.581) 23.017 19.651 ( 8.273 -9.759 -28.046) 30.826 20.540 ( -15.902 4.588 -7.343) 18.106 20.831 ( -17.990 -9.096 -4.059) 20.563 21.251 ( 18.258 3.295 -2.847) 18.770 21.460 ( 13.161 -2.855 -1.314) 13.531 22.467 ( -2.689 -1.070 -2.256) 3.670 22.499 ( -0.339 -1.378 6.419) 6.574 23.126 ( -3.089 -1.159 -12.752) 13.172 23.281 ( -3.841 -1.788 0.846) 4.320 23.653 ( 10.202 -0.064 0.312) 10.207 24.394 ( -3.187 -0.806 22.841) 23.076 25.166 ( -6.726 0.755 -17.618) 18.873 25.686 ( -11.906 2.518 2.151) 12.358 25.888 ( 14.025 2.304 -11.323) 18.172 26.263 ( 2.469 -4.107 -12.476) 13.365 27.019 ( 11.024 -4.297 -14.271) 18.538 27.807 ( -10.882 0.863 -19.730) 22.549 29.506 ( 3.400 -0.011 1.218) 3.611 29.854 ( -8.602 0.915 -3.760) 9.433 30.409 ( 2.135 2.338 12.169) 12.575 30.502 ( -1.549 1.736 15.179) 15.356 31.026 ( 1.727 3.153 40.097) 40.258 31.237 ( -3.971 -4.239 26.502) 27.131 31.643 ( 9.613 -1.799 17.977) 20.465 32.027 ( -1.912 2.779 -0.828) 3.473 33.111 ( -4.719 4.418 13.902) 15.331 33.174 ( -3.191 1.790 12.578) 13.099 33.655 ( 8.046 6.724 -16.739) 19.752 33.943 ( 0.254 6.286 -18.130) 19.191 34.480 ( 1.551 -2.966 13.078) 13.499 34.681 ( -3.029 -7.235 5.632) 9.656 35.787 ( 3.140 2.125 5.430) 6.623 36.030 ( -2.496 -3.651 -0.421) 4.443 ======================= Grid point 192 (72/126) ======================= q-point: ( 0.40 0.45 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -0.012 4.491 -1.370) 4.695 2.112 ( -0.107 -1.008 0.676) 1.218 2.206 ( 1.863 1.283 2.540) 3.401 2.237 ( -1.184 3.359 -0.134) 3.565 2.332 ( 1.375 -3.341 -4.989) 6.160 2.370 ( -1.672 -2.979 -5.534) 6.503 5.769 ( 3.563 6.049 5.808) 9.111 5.883 ( -1.216 -0.981 0.663) 1.697 6.030 ( 18.597 -0.388 7.981) 20.241 6.514 ( -23.681 -0.137 8.928) 25.309 7.605 ( 2.890 13.731 8.234) 16.269 7.851 ( -3.445 -0.468 9.493) 10.110 8.383 ( 1.777 17.550 28.706) 33.693 8.647 ( -2.126 -1.546 27.560) 27.686 9.030 ( 0.949 17.525 27.649) 32.749 9.396 ( 0.397 -13.204 26.608) 29.707 10.084 ( 13.413 8.397 -5.885) 16.883 10.427 ( 1.283 -13.595 0.225) 13.657 10.708 ( 1.399 -2.113 -11.055) 11.342 10.861 ( -9.328 -6.119 -6.500) 12.911 11.808 ( 1.997 27.486 5.059) 28.019 12.177 ( -5.767 15.405 10.288) 19.401 12.455 ( 0.781 3.529 10.754) 11.345 12.798 ( -8.748 -9.128 6.876) 14.392 13.336 ( 5.412 -4.841 22.386) 23.535 13.493 ( -7.908 -11.739 20.266) 24.719 14.431 ( 18.756 9.901 3.939) 21.571 14.773 ( -3.912 11.879 -5.363) 13.608 15.071 ( 5.326 -8.045 -7.829) 12.425 15.190 ( -5.915 -7.543 -8.081) 12.538 16.341 ( 6.619 -3.941 -6.695) 10.206 16.525 ( -3.792 -7.457 -7.106) 10.977 16.851 ( -4.014 7.728 -2.466) 9.051 16.995 ( -8.497 1.396 -3.040) 9.132 17.860 ( 6.766 -5.642 -9.944) 13.285 17.966 ( 1.625 -10.601 -8.066) 13.420 18.751 ( 2.555 3.245 -17.955) 18.423 18.969 ( -10.685 -2.723 -20.911) 23.640 19.570 ( 7.491 5.498 -26.329) 27.920 19.792 ( 5.781 -12.122 -28.468) 31.477 20.328 ( -5.757 3.615 -7.205) 9.906 20.534 ( -11.848 -11.584 -4.655) 17.211 21.531 ( 10.866 2.619 -1.022) 11.224 21.617 ( 2.612 0.212 -0.285) 2.636 22.436 ( 0.106 -1.118 -3.563) 3.736 22.475 ( -2.227 -1.671 2.654) 3.847 23.090 ( -0.140 0.631 -6.647) 6.679 23.190 ( -4.558 -3.499 -0.526) 5.770 23.899 ( 14.344 3.539 2.346) 14.959 24.241 ( -12.081 -3.924 13.142) 18.277 25.182 ( 8.290 0.829 -7.096) 10.944 25.417 ( -15.113 0.443 0.276) 15.122 26.122 ( 8.796 3.903 -16.451) 19.059 26.289 ( -0.281 -5.052 -12.485) 13.471 27.266 ( 15.033 -1.877 -14.078) 20.681 27.554 ( -15.568 -0.148 -16.263) 22.514 29.582 ( 4.819 0.598 1.598) 5.112 29.696 ( -7.551 0.940 0.126) 7.610 30.438 ( 1.096 2.650 13.831) 14.125 30.471 ( -1.517 1.459 12.348) 12.527 31.068 ( 2.308 1.948 36.615) 36.740 31.170 ( -2.815 -4.751 32.512) 32.977 31.828 ( 9.416 -0.001 7.976) 12.340 31.965 ( -5.167 1.702 1.773) 5.722 33.040 ( -2.289 6.241 15.154) 16.548 33.114 ( -2.271 0.386 10.660) 10.906 33.807 ( 7.138 7.921 -17.504) 20.496 33.924 ( -2.620 5.893 -16.220) 17.455 34.523 ( 2.890 -4.140 12.250) 13.249 34.613 ( -3.805 -7.626 7.886) 11.612 35.857 ( 3.745 2.325 4.066) 5.998 35.971 ( -3.377 -3.686 0.444) 5.018 ======================= Grid point 220 (73/126) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.000 0.000 1.140) 1.140 1.536 ( 0.000 0.000 2.317) 2.317 2.097 ( 0.000 0.000 4.690) 4.690 2.428 ( 0.000 0.000 -9.494) 9.494 2.542 ( 0.000 0.000 10.403) 10.403 2.833 ( 0.000 0.000 3.853) 3.853 4.944 ( 0.000 0.000 21.403) 21.403 5.027 ( 0.000 0.000 46.130) 46.130 6.352 ( 0.000 0.000 -20.847) 20.847 6.483 ( 0.000 0.000 1.069) 1.069 6.617 ( 0.000 0.000 -0.424) 0.424 6.763 ( 0.000 0.000 37.138) 37.138 7.613 ( 0.000 0.000 -18.217) 18.217 7.766 ( 0.000 0.000 7.733) 7.733 7.796 ( 0.000 0.000 11.614) 11.614 8.114 ( 0.000 0.000 25.321) 25.321 8.299 ( 0.000 0.000 11.147) 11.147 9.758 ( 0.000 0.000 0.122) 0.122 10.773 ( 0.000 0.000 13.489) 13.489 10.967 ( 0.000 0.000 25.548) 25.548 11.003 ( 0.000 0.000 9.963) 9.963 11.955 ( 0.000 0.000 -0.193) 0.193 12.926 ( 0.000 0.000 -1.113) 1.113 12.930 ( 0.000 0.000 8.340) 8.340 13.621 ( 0.000 0.000 -0.288) 0.288 13.859 ( 0.000 0.000 4.683) 4.683 14.236 ( 0.000 0.000 3.066) 3.066 14.465 ( 0.000 0.000 -8.390) 8.390 15.271 ( 0.000 0.000 -6.403) 6.403 16.088 ( 0.000 0.000 -18.883) 18.883 16.409 ( 0.000 0.000 -35.863) 35.863 16.888 ( 0.000 0.000 -2.541) 2.541 17.229 ( 0.000 0.000 -14.709) 14.709 18.066 ( 0.000 0.000 -1.117) 1.117 18.279 ( 0.000 0.000 4.251) 4.251 18.578 ( 0.000 0.000 -5.851) 5.851 18.821 ( 0.000 0.000 22.395) 22.395 18.898 ( 0.000 0.000 5.112) 5.112 19.752 ( 0.000 0.000 4.611) 4.611 20.067 ( 0.000 0.000 -20.765) 20.765 20.310 ( 0.000 0.000 -2.920) 2.920 20.587 ( 0.000 0.000 -9.066) 9.066 21.328 ( 0.000 0.000 -32.400) 32.400 21.330 ( 0.000 0.000 -27.443) 27.443 22.238 ( 0.000 0.000 -1.710) 1.710 22.701 ( 0.000 0.000 -3.868) 3.868 23.199 ( 0.000 0.000 -24.454) 24.454 23.401 ( 0.000 0.000 -21.239) 21.239 24.219 ( 0.000 0.000 11.720) 11.720 24.821 ( 0.000 0.000 -7.067) 7.067 24.857 ( 0.000 0.000 -1.061) 1.061 24.895 ( 0.000 0.000 -2.053) 2.053 27.048 ( 0.000 0.000 8.026) 8.026 27.401 ( 0.000 0.000 -1.662) 1.662 27.956 ( 0.000 0.000 13.636) 13.636 28.313 ( 0.000 0.000 7.462) 7.462 29.341 ( 0.000 0.000 8.949) 8.949 29.907 ( 0.000 0.000 14.207) 14.207 30.118 ( 0.000 0.000 -6.936) 6.936 30.145 ( 0.000 0.000 0.109) 0.109 30.423 ( 0.000 0.000 8.619) 8.619 30.527 ( 0.000 0.000 0.227) 0.227 30.695 ( 0.000 0.000 6.813) 6.813 31.541 ( 0.000 0.000 -5.524) 5.524 32.712 ( 0.000 0.000 15.796) 15.796 32.857 ( 0.000 0.000 15.200) 15.200 33.684 ( 0.000 0.000 29.339) 29.339 33.699 ( 0.000 0.000 29.926) 29.926 34.832 ( 0.000 0.000 10.848) 10.848 35.095 ( 0.000 0.000 -1.349) 1.349 35.663 ( 0.000 0.000 -11.900) 11.900 36.642 ( 0.000 0.000 -39.616) 39.616 ======================= Grid point 221 (74/126) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.142 0.000 1.347) 1.354 1.536 ( -0.078 0.000 2.199) 2.201 2.096 ( 0.220 0.000 4.555) 4.560 2.332 ( -7.199 0.000 -2.608) 7.657 2.624 ( 5.702 0.000 4.075) 7.008 2.821 ( -1.241 0.000 3.253) 3.481 5.016 ( 7.548 0.000 18.996) 20.441 5.130 ( 10.604 0.000 42.704) 44.000 6.004 ( -21.240 0.000 -3.634) 21.549 6.383 ( -21.086 0.000 23.499) 31.573 6.763 ( 14.172 0.000 -8.957) 16.766 6.777 ( 2.175 0.000 10.729) 10.947 7.615 ( -8.298 0.000 5.881) 10.170 7.636 ( -11.085 0.000 7.789) 13.548 7.943 ( 25.333 0.000 -11.424) 27.790 8.314 ( 15.116 0.000 24.940) 29.163 8.403 ( 8.666 0.000 9.885) 13.146 9.651 ( -15.071 0.000 -9.973) 18.072 10.508 ( -8.756 0.000 29.699) 30.963 10.933 ( -4.207 0.000 26.844) 27.171 11.370 ( 22.901 0.000 5.028) 23.447 11.907 ( -4.147 0.000 0.090) 4.148 12.729 ( -17.259 0.000 8.330) 19.164 12.740 ( -15.576 0.000 1.497) 15.647 13.810 ( 15.849 0.000 -5.659) 16.829 14.048 ( 15.833 0.000 1.387) 15.893 14.283 ( 4.835 0.000 5.144) 7.060 14.440 ( -2.349 0.000 -7.645) 7.998 15.197 ( -6.851 0.000 -5.994) 9.103 15.756 ( -24.141 0.000 -19.499) 31.032 16.667 ( 16.227 0.000 -32.920) 36.702 16.921 ( 2.847 0.000 -10.121) 10.513 17.320 ( 9.457 0.000 -8.096) 12.449 17.996 ( -7.339 0.000 2.978) 7.920 18.276 ( -0.009 0.000 3.424) 3.424 18.507 ( -6.879 0.000 -5.748) 8.964 18.913 ( 9.169 0.000 20.648) 22.592 18.965 ( 6.921 0.000 1.109) 7.009 19.717 ( -4.480 0.000 6.785) 8.130 19.909 ( -14.302 0.000 -17.421) 22.540 20.345 ( 4.216 0.000 -5.414) 6.862 20.625 ( 1.575 0.000 -10.960) 11.072 21.323 ( -0.202 0.000 -30.888) 30.889 21.335 ( 0.405 0.000 -26.821) 26.824 22.303 ( 6.633 0.000 -2.435) 7.066 22.667 ( -3.357 0.000 -5.055) 6.068 23.249 ( 4.502 0.000 -23.372) 23.801 23.384 ( -1.556 0.000 -21.020) 21.077 24.244 ( 2.237 0.000 9.502) 9.762 24.578 ( -13.591 0.000 -3.126) 13.945 24.906 ( 1.488 0.000 -0.508) 1.573 25.034 ( 6.453 0.000 -1.713) 6.676 26.913 ( -9.748 0.000 8.235) 12.760 27.259 ( -13.173 0.000 -1.128) 13.221 28.118 ( 14.105 0.000 13.319) 19.400 28.401 ( 7.199 0.000 8.723) 11.310 29.335 ( -0.598 0.000 7.854) 7.877 29.688 ( -16.059 0.000 7.760) 17.835 30.102 ( -2.816 0.000 1.613) 3.245 30.180 ( 0.288 0.000 0.434) 0.521 30.491 ( 5.440 0.000 6.861) 8.756 30.561 ( 3.225 0.000 0.704) 3.301 30.779 ( 8.939 0.000 4.070) 9.822 31.449 ( -9.100 0.000 -5.310) 10.536 32.761 ( 4.909 0.000 16.021) 16.756 32.893 ( 2.788 0.000 15.406) 15.656 33.673 ( -1.148 0.000 29.635) 29.657 33.677 ( -2.008 0.000 29.861) 29.928 34.876 ( 4.337 0.000 10.384) 11.254 35.096 ( -0.462 0.000 1.035) 1.133 35.766 ( 11.055 0.000 -17.850) 20.996 36.566 ( -8.170 0.000 -38.794) 39.645 ======================= Grid point 222 (75/126) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -0.007 0.000 1.721) 1.721 1.533 ( -0.140 0.000 1.979) 1.984 2.121 ( 2.826 0.000 3.340) 4.375 2.205 ( -6.085 0.000 0.810) 6.139 2.719 ( 4.465 0.000 2.401) 5.069 2.785 ( -2.744 0.000 2.394) 3.642 5.204 ( 12.054 0.000 13.012) 17.737 5.338 ( 5.280 0.000 23.873) 24.450 5.712 ( -3.936 0.000 20.016) 20.400 5.961 ( -22.475 0.000 32.835) 39.790 6.852 ( 5.523 0.000 3.706) 6.651 6.915 ( 1.386 0.000 -3.349) 3.624 7.468 ( -4.696 0.000 4.228) 6.319 7.483 ( -5.033 0.000 2.666) 5.696 8.448 ( 18.682 0.000 -2.940) 18.912 8.531 ( 3.418 0.000 10.870) 11.395 8.603 ( 23.045 0.000 11.268) 25.652 9.183 ( -32.305 0.000 -11.322) 34.231 10.560 ( 10.931 0.000 33.536) 35.273 10.789 ( -11.436 0.000 29.490) 31.630 11.724 ( 13.911 0.000 5.860) 15.095 11.850 ( -2.165 0.000 4.254) 4.773 12.447 ( -9.600 0.000 4.462) 10.586 12.472 ( -11.049 0.000 1.664) 11.174 14.090 ( 12.866 0.000 -12.353) 17.836 14.238 ( -0.683 0.000 -10.262) 10.284 14.393 ( 5.931 0.000 8.282) 10.187 14.427 ( 2.298 0.000 2.633) 3.495 15.112 ( 1.539 0.000 -7.834) 7.984 15.331 ( -20.149 0.000 -14.367) 24.747 16.893 ( 7.809 0.000 -31.016) 31.984 16.958 ( 0.160 0.000 -23.522) 23.522 17.548 ( 14.267 0.000 3.632) 14.723 17.807 ( -12.844 0.000 8.213) 15.246 18.294 ( 2.346 0.000 -0.240) 2.358 18.374 ( -6.348 0.000 -4.960) 8.057 19.105 ( 9.127 0.000 13.444) 16.250 19.118 ( 7.521 0.000 -1.638) 7.698 19.596 ( -6.298 0.000 7.374) 9.698 19.641 ( -11.860 0.000 -9.035) 14.909 20.463 ( 7.796 0.000 -9.567) 12.341 20.592 ( -5.125 0.000 -11.699) 12.772 21.328 ( 0.644 0.000 -27.912) 27.920 21.338 ( -0.208 0.000 -26.377) 26.378 22.451 ( 8.404 0.000 -4.084) 9.344 22.584 ( -5.756 0.000 -5.501) 7.962 23.323 ( 2.796 0.000 -22.199) 22.375 23.356 ( -1.358 0.000 -21.250) 21.293 24.289 ( 2.800 0.000 4.608) 5.392 24.376 ( -7.671 0.000 0.273) 7.676 24.965 ( 4.990 0.000 2.676) 5.662 25.058 ( -3.390 0.000 2.372) 4.137 26.835 ( 2.871 0.000 4.729) 5.532 26.999 ( -13.250 0.000 0.700) 13.269 28.372 ( 11.570 0.000 13.850) 18.047 28.486 ( -0.004 0.000 12.187) 12.187 29.333 ( 1.290 0.000 5.284) 5.439 29.431 ( -10.209 0.000 4.974) 11.356 30.084 ( 1.083 0.000 2.627) 2.842 30.133 ( -3.703 0.000 2.574) 4.510 30.575 ( 3.173 0.000 5.322) 6.196 30.600 ( 0.490 0.000 3.519) 3.553 30.996 ( 13.403 0.000 -1.315) 13.467 31.242 ( -12.764 0.000 -4.312) 13.473 32.862 ( 5.030 0.000 16.215) 16.977 32.918 ( -0.722 0.000 15.926) 15.942 33.645 ( -0.961 0.000 29.951) 29.966 33.649 ( -1.170 0.000 30.024) 30.047 34.972 ( 5.502 0.000 8.693) 10.288 35.059 ( -3.613 0.000 5.461) 6.548 36.040 ( 17.293 0.000 -28.556) 33.384 36.348 ( -15.005 0.000 -35.654) 38.682 ======================= Grid point 225 (76/126) ======================= q-point: ( 0.00 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 0.714 2.809) 2.899 1.628 ( 0.000 5.920 0.278) 5.926 2.104 ( 0.000 0.592 3.970) 4.014 2.407 ( 0.000 -1.885 -8.701) 8.903 2.519 ( 0.000 -2.108 9.523) 9.753 2.792 ( 0.000 -3.743 3.206) 4.928 5.035 ( 0.000 8.606 20.111) 21.875 5.217 ( 0.000 16.230 37.814) 41.150 6.194 ( 0.000 -5.188 -8.554) 10.004 6.367 ( 0.000 -9.494 3.796) 10.225 6.713 ( 0.000 7.595 0.476) 7.610 7.234 ( 0.000 32.920 23.747) 40.591 7.263 ( 0.000 -11.086 -6.144) 12.675 7.765 ( 0.000 2.279 14.604) 14.781 8.224 ( 0.000 15.068 15.604) 21.692 8.398 ( 0.000 34.235 5.794) 34.722 8.542 ( 0.000 19.796 12.013) 23.156 9.787 ( 0.000 2.746 -0.956) 2.907 10.637 ( 0.000 -9.698 21.673) 23.744 11.048 ( 0.000 4.077 16.462) 16.960 11.089 ( 0.000 8.452 10.427) 13.422 11.937 ( 0.000 -0.838 2.574) 2.707 12.855 ( 0.000 -4.888 -0.068) 4.889 12.926 ( 0.000 -0.186 -0.963) 0.981 13.585 ( 0.000 -19.820 3.962) 20.212 13.683 ( 0.000 2.489 2.573) 3.580 14.384 ( 0.000 7.749 4.507) 8.965 14.522 ( 0.000 6.635 -3.014) 7.287 15.265 ( 0.000 -0.457 -6.803) 6.818 16.129 ( 0.000 3.709 -17.796) 18.178 16.259 ( 0.000 -12.385 -26.961) 29.669 16.937 ( 0.000 0.944 -2.533) 2.704 17.139 ( 0.000 -8.081 -18.603) 20.282 17.835 ( 0.000 -14.529 -3.257) 14.890 18.088 ( 0.000 -15.783 8.977) 18.158 18.510 ( 0.000 -7.179 -11.752) 13.771 18.901 ( 0.000 -0.563 3.606) 3.650 19.099 ( 0.000 20.284 16.078) 25.883 19.646 ( 0.000 -10.101 4.045) 10.880 19.934 ( 0.000 -9.411 -19.075) 21.270 20.504 ( 0.000 13.832 -6.937) 15.474 20.516 ( 0.000 -6.635 -11.409) 13.198 21.339 ( 0.000 0.277 -23.563) 23.565 21.339 ( 0.000 0.870 -28.232) 28.245 22.269 ( 0.000 3.384 -1.194) 3.588 22.665 ( 0.000 -3.413 -4.365) 5.541 23.214 ( 0.000 1.450 -21.736) 21.785 23.308 ( 0.000 -7.810 -18.558) 20.135 24.298 ( 0.000 7.212 9.490) 11.919 24.690 ( 0.000 -12.180 0.641) 12.197 24.854 ( 0.000 3.093 -6.077) 6.819 24.987 ( 0.000 4.374 -4.828) 6.515 26.909 ( 0.000 -13.236 10.325) 16.787 27.367 ( 0.000 -1.949 -4.986) 5.353 27.565 ( 0.000 -28.996 14.294) 32.328 28.220 ( 0.000 -13.456 1.679) 13.560 29.455 ( 0.000 7.640 7.488) 10.697 29.916 ( 0.000 3.245 11.526) 11.974 29.943 ( 0.000 -8.434 -3.546) 9.149 30.258 ( 0.000 9.378 5.553) 10.899 30.522 ( 0.000 12.077 10.459) 15.977 30.887 ( 0.000 15.425 2.984) 15.711 30.945 ( 0.000 28.387 2.233) 28.475 31.648 ( 0.000 10.491 -5.052) 11.644 32.669 ( 0.000 -3.795 13.538) 14.060 32.893 ( 0.000 3.559 14.598) 15.026 33.454 ( 0.000 -12.143 27.208) 29.795 33.894 ( 0.000 8.504 30.652) 31.809 34.808 ( 0.000 -1.546 9.485) 9.610 35.188 ( 0.000 8.030 0.349) 8.038 35.514 ( 0.000 -13.122 -12.634) 18.215 36.602 ( 0.000 -4.274 -35.891) 36.145 ======================= Grid point 226 (77/126) ======================= q-point: ( 0.20 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.299 1.042 2.715) 2.923 1.628 ( -0.007 6.032 0.268) 6.038 2.105 ( 0.365 0.754 3.811) 3.902 2.322 ( -6.468 -0.934 -2.583) 7.027 2.593 ( 5.268 -2.786 3.913) 7.130 2.781 ( -1.148 -3.689 2.790) 4.766 5.051 ( 3.332 5.894 20.445) 21.537 5.344 ( 10.842 15.469 29.714) 35.210 5.926 ( -16.605 -1.714 4.276) 17.233 6.464 ( -5.984 0.223 11.450) 12.922 6.673 ( 1.454 3.527 0.808) 3.900 7.075 ( -5.488 11.598 2.700) 13.112 7.449 ( 7.892 3.869 8.155) 11.990 7.715 ( -3.148 9.085 10.251) 14.055 8.367 ( 10.961 22.513 1.258) 25.071 8.437 ( 7.918 16.587 21.056) 27.950 8.632 ( 7.634 21.167 7.788) 23.811 9.659 ( -15.562 0.916 -7.302) 17.214 10.533 ( -2.954 1.875 28.601) 28.814 10.968 ( -3.972 3.740 23.507) 24.132 11.361 ( 17.038 -0.562 4.972) 17.758 11.928 ( 0.072 1.989 1.607) 2.558 12.488 ( -22.243 -9.891 2.072) 24.431 12.970 ( -9.001 9.508 1.020) 13.132 13.688 ( 12.884 -17.513 2.952) 21.941 13.826 ( 10.821 -7.437 -0.778) 13.153 14.414 ( 1.770 6.409 -0.635) 6.679 14.557 ( 4.765 9.039 1.035) 10.270 15.195 ( -6.426 -0.142 -6.658) 9.254 15.765 ( -23.551 0.238 -18.600) 30.011 16.544 ( 15.439 -8.558 -20.761) 27.251 16.978 ( 2.981 1.768 -16.644) 17.001 17.219 ( 8.422 -10.073 -7.802) 15.273 17.745 ( -6.775 -14.945 -0.310) 16.412 18.182 ( 7.073 -13.193 4.454) 15.618 18.450 ( -6.310 -4.587 -9.112) 11.995 18.840 ( -2.693 -1.908 5.293) 6.237 19.225 ( 7.998 15.542 8.671) 19.512 19.503 ( -8.538 -12.584 0.285) 15.210 20.068 ( 7.572 2.293 -14.368) 16.402 20.327 ( -8.532 1.858 -4.045) 9.623 20.610 ( 1.667 -0.537 -12.538) 12.660 21.259 ( -3.749 -2.254 -25.353) 25.728 21.423 ( 4.192 3.982 -25.021) 25.680 22.310 ( 4.221 0.943 -1.496) 4.576 22.653 ( -1.371 -1.162 -4.785) 5.112 23.202 ( -0.768 -4.753 -20.345) 20.908 23.342 ( 2.781 -2.864 -18.984) 19.399 24.287 ( -1.171 4.839 6.786) 8.417 24.530 ( -11.485 -7.518 -2.360) 13.928 24.903 ( 4.552 3.452 0.328) 5.723 25.096 ( 6.737 3.442 -3.596) 8.377 26.789 ( -9.900 -11.972 9.655) 18.291 27.138 ( -15.079 -10.733 -0.774) 18.525 27.807 ( 16.036 -21.757 10.075) 28.845 28.258 ( 2.769 -16.000 3.256) 16.561 29.419 ( -3.089 6.346 7.187) 10.073 29.731 ( -10.814 2.938 4.109) 11.936 30.046 ( 2.838 0.696 7.055) 7.636 30.323 ( 6.223 5.477 4.578) 9.470 30.550 ( 1.977 12.324 8.015) 14.833 30.786 ( -3.844 19.123 0.161) 19.506 31.072 ( 7.058 22.048 3.765) 23.455 31.566 ( -7.694 11.348 -4.485) 14.425 32.688 ( 1.794 -5.283 14.080) 15.146 32.943 ( 4.287 3.106 14.072) 15.035 33.480 ( 2.805 -8.988 27.315) 28.893 33.856 ( -3.934 7.565 30.858) 32.015 34.849 ( 4.032 -1.801 8.913) 9.947 35.155 ( -2.980 3.920 1.329) 5.100 35.634 ( 11.697 -10.430 -16.690) 22.894 36.534 ( -7.187 -3.712 -35.125) 36.044 ======================= Grid point 227 (78/126) ======================= q-point: ( 0.40 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 0.211 1.597 2.540) 3.008 1.627 ( -0.015 6.227 0.270) 6.233 2.130 ( 2.679 0.792 2.744) 3.916 2.207 ( -5.521 0.194 0.539) 5.551 2.681 ( 4.027 -3.393 2.318) 5.753 2.748 ( -2.427 -3.505 2.212) 4.803 5.172 ( 8.850 1.915 14.854) 17.396 5.414 ( -7.468 1.005 7.336) 10.517 5.838 ( 11.806 15.736 30.319) 36.142 6.171 ( -20.045 15.235 25.505) 35.839 6.756 ( 4.065 -3.591 1.926) 5.756 7.004 ( -3.045 4.083 1.043) 5.199 7.535 ( 2.233 10.313 5.201) 11.764 7.676 ( -1.220 15.625 3.819) 16.131 8.571 ( 6.251 6.979 16.205) 18.719 8.618 ( 9.760 12.411 9.387) 18.369 8.820 ( 15.153 19.925 -0.578) 25.039 9.246 ( -25.893 6.578 -8.657) 28.083 10.620 ( 10.209 6.011 30.804) 33.004 10.844 ( -9.802 5.018 27.085) 29.238 11.604 ( 8.126 -6.566 5.044) 11.601 11.956 ( 0.619 2.935 4.064) 5.051 12.174 ( -8.254 -9.454 -1.087) 12.597 12.750 ( -9.896 12.230 3.891) 16.206 13.909 ( 8.459 -17.553 -0.822) 19.502 13.988 ( 4.006 -12.228 -1.308) 12.934 14.453 ( 3.137 7.787 -5.478) 10.025 14.657 ( 3.163 9.183 4.601) 10.747 15.123 ( 2.540 0.822 -8.303) 8.721 15.352 ( -19.658 1.664 -13.933) 24.152 16.764 ( 7.536 -8.310 -17.520) 20.804 17.002 ( -0.425 -0.284 -28.869) 28.874 17.380 ( 5.903 -15.553 6.569) 17.886 17.659 ( -1.525 -8.917 -4.776) 10.230 18.274 ( 1.671 -7.789 -0.730) 8.000 18.320 ( -5.012 -3.756 -4.560) 7.748 18.861 ( 4.167 -8.422 4.136) 10.266 19.169 ( -8.773 -8.404 -0.559) 12.161 19.576 ( 11.108 7.318 0.174) 13.303 19.981 ( -11.234 20.097 0.319) 23.026 20.383 ( 9.766 -7.176 -10.453) 16.005 20.565 ( -6.051 -2.773 -13.890) 15.402 21.212 ( -1.277 -4.436 -24.092) 24.530 21.480 ( 1.709 6.688 -23.735) 24.719 22.399 ( 4.126 -4.247 -2.534) 6.440 22.617 ( -2.081 2.947 -5.064) 6.217 23.199 ( 0.316 -7.254 -18.691) 20.052 23.377 ( 0.658 -2.090 -18.783) 18.911 24.270 ( 0.046 2.859 2.094) 3.544 24.360 ( -6.039 -6.749 -1.640) 9.203 25.017 ( 7.041 7.398 3.714) 10.867 25.139 ( -2.407 4.883 1.203) 5.576 26.667 ( -2.060 -15.165 6.418) 16.595 26.898 ( -9.149 -8.797 -0.667) 12.710 28.067 ( 10.822 -23.145 10.682) 27.694 28.265 ( -2.666 -19.433 5.982) 20.506 29.379 ( -0.771 5.123 6.114) 8.014 29.567 ( -5.735 8.530 4.170) 11.093 30.068 ( 0.266 3.472 9.162) 9.801 30.410 ( 1.866 5.883 8.286) 10.332 30.594 ( 2.970 15.833 -0.490) 16.116 30.756 ( -0.751 14.429 0.904) 14.477 31.175 ( 3.873 14.468 2.143) 15.130 31.424 ( -5.861 16.450 -2.496) 17.640 32.718 ( 1.052 -7.742 14.753) 16.694 33.007 ( 1.954 1.943 13.637) 13.912 33.548 ( 3.633 -1.928 27.056) 27.367 33.770 ( -4.237 4.580 31.601) 32.211 34.931 ( 3.693 -2.536 8.067) 9.228 35.097 ( -2.754 1.353 2.809) 4.160 35.875 ( 11.431 -11.566 -24.103) 29.076 36.366 ( -8.861 -0.965 -32.728) 33.920 ======================= Grid point 230 (79/126) ======================= q-point: ( 0.00 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 4.734 2.136) 5.193 1.767 ( 0.000 7.396 -1.373) 7.522 2.118 ( 0.000 0.734 2.452) 2.559 2.361 ( 0.000 -2.426 -6.880) 7.295 2.464 ( 0.000 -3.094 7.543) 8.153 2.694 ( 0.000 -5.522 1.671) 5.769 5.282 ( 0.000 15.363 16.861) 22.810 5.545 ( 0.000 12.274 15.958) 20.132 6.152 ( 0.000 -10.185 9.794) 14.130 6.216 ( 0.000 6.344 -7.755) 10.019 6.833 ( 0.000 3.511 -0.631) 3.567 7.334 ( 0.000 18.705 1.285) 18.749 7.680 ( 0.000 11.713 20.301) 23.438 8.212 ( 0.000 37.980 22.271) 44.028 8.596 ( 0.000 21.107 22.128) 30.581 9.003 ( 0.000 24.655 13.317) 28.022 9.122 ( 0.000 33.262 0.954) 33.276 9.868 ( 0.000 5.376 -2.041) 5.750 10.436 ( 0.000 -9.027 24.902) 26.487 11.082 ( 0.000 -0.233 7.184) 7.188 11.336 ( 0.000 14.570 12.123) 18.955 11.963 ( 0.000 3.775 5.677) 6.818 12.808 ( 0.000 1.177 -7.778) 7.867 12.875 ( 0.000 -8.196 4.489) 9.345 13.230 ( 0.000 -9.215 -2.676) 9.596 13.647 ( 0.000 -4.973 6.716) 8.356 14.439 ( 0.000 -3.271 7.257) 7.960 14.727 ( 0.000 11.235 5.656) 12.579 15.261 ( 0.000 0.341 -6.164) 6.174 15.968 ( 0.000 -15.937 -19.898) 25.493 16.223 ( 0.000 5.210 -14.789) 15.680 16.723 ( 0.000 -17.988 8.514) 19.901 17.035 ( 0.000 -4.574 -19.039) 19.581 17.667 ( 0.000 -0.951 -22.503) 22.523 17.734 ( 0.000 -17.306 11.184) 20.605 18.308 ( 0.000 -11.723 -15.981) 19.820 18.843 ( 0.000 -5.459 -2.873) 6.169 19.345 ( 0.000 -17.585 0.577) 17.594 19.485 ( 0.000 13.002 7.455) 14.987 19.717 ( 0.000 -11.748 -20.659) 23.766 20.358 ( 0.000 -6.727 -11.315) 13.164 20.758 ( 0.000 9.229 -8.900) 12.822 21.317 ( 0.000 -2.601 -16.857) 17.056 21.357 ( 0.000 0.894 -18.088) 18.110 22.381 ( 0.000 7.128 0.325) 7.135 22.576 ( 0.000 -4.753 -6.259) 7.860 23.142 ( 0.000 -7.520 -15.677) 17.387 23.253 ( 0.000 2.246 -15.725) 15.884 24.377 ( 0.000 -17.712 5.751) 18.622 24.484 ( 0.000 10.200 6.033) 11.851 24.942 ( 0.000 5.379 -3.333) 6.328 25.052 ( 0.000 1.620 -9.399) 9.537 26.570 ( 0.000 -17.745 13.139) 22.080 26.965 ( 0.000 -27.685 11.581) 30.010 27.357 ( 0.000 0.988 -11.467) 11.509 27.817 ( 0.000 -23.578 -4.653) 24.033 29.542 ( 0.000 0.836 3.538) 3.635 29.851 ( 0.000 -1.560 -2.449) 2.904 30.065 ( 0.000 10.442 9.514) 14.126 30.462 ( 0.000 9.357 8.741) 12.805 30.858 ( 0.000 18.761 18.630) 26.439 31.227 ( 0.000 17.219 1.041) 17.251 31.521 ( 0.000 25.749 8.660) 27.166 31.939 ( 0.000 16.223 -2.118) 16.360 32.592 ( 0.000 -2.258 7.560) 7.890 33.003 ( 0.000 7.074 10.647) 12.783 33.206 ( 0.000 -11.641 21.856) 24.763 34.016 ( 0.000 2.738 28.155) 28.288 34.786 ( 0.000 -0.596 9.834) 9.852 35.212 ( 0.000 -14.379 -12.141) 18.819 35.381 ( 0.000 10.156 1.140) 10.220 36.462 ( 0.000 -9.094 -27.181) 28.662 ======================= Grid point 231 (80/126) ======================= q-point: ( 0.20 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.879 4.934 1.936) 5.373 1.769 ( 0.169 7.440 -1.401) 7.573 2.123 ( 0.638 0.905 2.275) 2.530 2.298 ( -4.872 -1.298 -2.374) 5.573 2.522 ( 4.306 -3.928 3.402) 6.749 2.684 ( -1.096 -5.521 1.624) 5.858 5.247 ( -1.071 12.340 15.001) 19.454 5.597 ( -0.760 7.628 4.908) 9.102 6.028 ( 0.038 9.520 16.688) 19.212 6.399 ( 9.075 -2.462 3.125) 9.909 6.819 ( -1.369 6.021 2.981) 6.856 7.203 ( -9.749 12.294 1.780) 15.791 7.762 ( 5.313 18.128 16.870) 25.327 8.190 ( -2.203 34.281 16.599) 38.152 8.671 ( 5.338 14.079 22.037) 26.690 8.964 ( 0.663 28.125 10.703) 30.100 9.198 ( 4.505 29.857 1.740) 30.245 9.708 ( -13.424 4.887 1.452) 14.359 10.558 ( 10.630 0.200 22.819) 25.174 11.054 ( -2.452 2.423 11.835) 12.327 11.411 ( 6.143 7.978 7.783) 12.726 11.974 ( 1.112 2.242 4.666) 5.295 12.364 ( -23.768 -2.535 -1.688) 23.963 13.105 ( -8.651 1.193 -5.661) 10.408 13.301 ( 18.371 -13.052 6.767) 23.529 13.697 ( 5.591 -5.712 5.348) 9.617 14.504 ( 5.810 -0.654 4.410) 7.323 14.723 ( 0.269 7.563 5.470) 9.338 15.192 ( -6.041 -0.075 -6.334) 8.754 15.730 ( -18.853 -4.422 -16.446) 25.406 16.409 ( 13.113 -3.794 -11.895) 18.106 16.787 ( 5.343 -18.512 2.547) 19.436 17.063 ( 2.768 -4.778 -17.503) 18.354 17.532 ( -6.735 -7.800 -9.573) 14.066 17.888 ( 8.923 -11.417 -4.273) 15.107 18.295 ( -1.374 -9.882 -14.360) 17.486 18.772 ( -6.050 -5.497 -2.308) 8.494 19.159 ( -14.368 -16.412 -3.216) 22.048 19.563 ( 7.821 9.567 2.660) 12.640 19.912 ( 14.892 -12.841 -15.525) 25.053 20.327 ( -3.230 -4.427 -10.530) 11.871 20.716 ( -4.572 10.138 -8.952) 14.276 21.218 ( -5.217 -2.498 -17.690) 18.611 21.477 ( 7.334 1.388 -15.447) 17.156 22.342 ( -2.598 1.659 -1.474) 3.416 22.643 ( 5.201 1.031 -3.504) 6.356 23.071 ( -4.119 -7.081 -17.107) 18.968 23.314 ( 3.066 0.181 -13.862) 14.198 24.225 ( -11.072 -14.668 4.064) 18.822 24.501 ( -0.420 9.438 0.686) 9.472 24.994 ( 5.059 3.037 2.318) 6.339 25.150 ( 8.371 2.182 -6.909) 11.071 26.468 ( -9.523 -17.251 10.983) 22.559 26.855 ( -9.375 -16.651 3.176) 19.371 27.448 ( 7.941 -11.401 -2.664) 14.147 27.838 ( 1.388 -22.556 -3.417) 22.855 29.523 ( -1.815 2.843 3.710) 5.014 29.762 ( -6.156 0.531 1.367) 6.329 30.143 ( 4.647 8.248 7.986) 12.385 30.450 ( -0.602 6.975 9.104) 11.485 30.909 ( 5.192 19.529 15.283) 25.336 31.195 ( -2.034 19.550 0.327) 19.658 31.553 ( 1.081 22.871 8.187) 24.317 31.878 ( -4.936 17.265 0.243) 17.958 32.597 ( 0.406 -2.232 7.410) 7.750 32.977 ( -1.193 -0.418 10.422) 10.499 33.337 ( 11.583 -4.081 21.483) 24.745 33.961 ( -5.896 2.138 27.818) 28.516 34.820 ( 3.356 -1.021 8.854) 9.523 35.132 ( -5.319 -7.631 -7.184) 11.752 35.521 ( 11.369 2.433 -5.094) 12.694 36.404 ( -5.928 -8.593 -26.672) 28.642 ======================= Grid point 232 (81/126) ======================= q-point: ( 0.40 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.564 5.232 1.602) 5.501 1.772 ( 0.103 7.512 -1.438) 7.649 2.148 ( 2.243 0.870 1.510) 2.840 2.211 ( -4.158 0.199 0.043) 4.163 2.596 ( 3.526 -4.681 1.953) 6.177 2.653 ( -2.278 -5.466 1.650) 6.147 5.291 ( 5.836 8.725 9.523) 14.173 5.459 ( -10.267 4.772 2.437) 11.581 6.191 ( 12.902 13.594 20.780) 27.983 6.428 ( -6.618 10.094 15.589) 19.715 6.825 ( 1.721 10.731 9.021) 14.124 7.072 ( -3.328 4.560 -0.652) 5.683 7.828 ( 1.770 16.104 12.899) 20.709 8.129 ( -3.369 26.744 10.545) 28.945 8.786 ( 8.353 14.138 15.828) 22.808 8.954 ( -5.910 21.119 10.716) 24.408 9.305 ( 8.316 23.898 4.038) 25.624 9.484 ( -9.915 17.665 2.344) 20.392 10.774 ( 12.052 6.513 21.535) 25.523 10.971 ( -7.627 6.543 18.484) 21.039 11.533 ( 7.316 1.138 2.706) 7.883 11.852 ( -14.085 -5.910 2.494) 15.477 12.173 ( 2.838 3.131 -3.028) 5.199 12.893 ( -9.503 -1.079 4.987) 10.786 13.578 ( 9.195 -9.215 2.981) 13.355 13.796 ( 3.088 -6.245 7.136) 9.973 14.608 ( 4.689 5.497 -0.777) 7.267 14.745 ( 0.744 -0.558 5.804) 5.878 15.122 ( 1.072 -1.250 -6.528) 6.733 15.382 ( -16.141 1.131 -13.691) 21.196 16.620 ( 8.409 -4.853 -5.628) 11.222 16.831 ( -1.388 -15.951 -5.543) 16.943 17.122 ( 2.564 -7.388 -14.534) 16.504 17.472 ( -0.112 -11.068 -11.747) 16.140 18.014 ( 4.369 -11.841 -10.134) 16.186 18.246 ( -3.716 -4.996 -9.049) 10.984 18.711 ( 1.016 -8.272 -2.049) 8.582 18.918 ( -10.163 -14.435 -3.914) 18.082 19.708 ( 5.734 1.765 -4.710) 7.627 20.144 ( 6.540 -9.783 -10.580) 15.824 20.276 ( 0.635 -2.639 -10.122) 10.480 20.598 ( -6.837 10.703 -11.486) 17.124 21.155 ( -1.528 -0.984 -14.584) 14.697 21.584 ( 3.387 3.076 -14.075) 14.800 22.315 ( -0.386 -3.229 -2.272) 3.967 22.704 ( 0.893 5.409 -3.186) 6.341 23.052 ( 1.690 -7.105 -15.909) 17.506 23.318 ( -1.978 -2.208 -11.672) 12.043 24.073 ( -4.274 -15.383 2.428) 16.149 24.479 ( -1.194 12.319 -5.998) 13.753 25.094 ( 4.242 -2.054 6.320) 7.884 25.275 ( 3.821 7.539 0.264) 8.456 26.303 ( -5.966 -18.059 5.977) 19.936 26.704 ( -5.200 -8.926 -2.489) 10.626 27.589 ( 5.615 -21.821 3.133) 22.748 27.839 ( -1.067 -20.063 -1.148) 20.124 29.494 ( -0.877 4.955 4.186) 6.545 29.678 ( -2.574 2.002 3.068) 4.477 30.186 ( 0.540 8.336 9.812) 12.886 30.452 ( 0.422 3.116 8.830) 9.373 31.034 ( 7.703 20.671 8.368) 23.593 31.152 ( -3.951 21.250 1.325) 21.655 31.524 ( -2.593 18.848 5.647) 19.846 31.820 ( -1.199 19.537 5.639) 20.369 32.604 ( 0.239 -2.064 6.496) 6.820 32.968 ( -0.094 -4.452 10.163) 11.095 33.567 ( 12.069 1.959 21.416) 24.661 33.811 ( -9.652 -0.361 27.629) 29.269 34.888 ( 3.113 -1.593 8.249) 8.959 35.052 ( -3.039 -5.724 -5.965) 8.808 35.723 ( 8.197 -1.748 -9.363) 12.566 36.277 ( -6.013 -7.250 -25.759) 27.427 ======================= Grid point 235 (82/126) ======================= q-point: ( 0.00 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 0.000 7.179 -0.508) 7.197 1.915 ( 0.000 6.773 -3.120) 7.457 2.130 ( 0.000 0.428 1.234) 1.306 2.316 ( 0.000 -1.816 -4.966) 5.288 2.396 ( 0.000 -3.489 5.710) 6.691 2.576 ( 0.000 -5.848 0.363) 5.859 5.629 ( 0.000 -3.268 -2.515) 4.124 5.633 ( 0.000 17.729 13.152) 22.075 5.993 ( 0.000 -5.838 7.458) 9.471 6.414 ( 0.000 12.718 -6.207) 14.152 6.983 ( 0.000 13.064 7.120) 14.879 7.871 ( 0.000 30.306 4.230) 30.599 7.964 ( 0.000 16.597 21.610) 27.248 8.893 ( 0.000 25.183 28.986) 38.398 9.002 ( 0.000 16.089 25.448) 30.107 9.509 ( 0.000 19.319 6.460) 20.370 9.615 ( 0.000 11.164 5.334) 12.373 10.074 ( 0.000 19.796 1.380) 19.844 10.354 ( 0.000 3.938 16.116) 16.590 11.078 ( 0.000 0.544 -0.477) 0.723 11.568 ( 0.000 3.722 16.973) 17.376 12.079 ( 0.000 7.334 5.392) 9.103 12.653 ( 0.000 -5.166 13.293) 14.261 12.913 ( 0.000 8.522 -7.160) 11.131 13.290 ( 0.000 11.190 -15.712) 19.290 13.565 ( 0.000 -0.816 15.289) 15.310 14.250 ( 0.000 -14.277 10.740) 17.866 14.874 ( 0.000 1.634 7.002) 7.190 15.292 ( 0.000 2.306 -0.525) 2.365 15.563 ( 0.000 -24.518 -12.378) 27.465 16.337 ( 0.000 6.152 -10.120) 11.844 16.453 ( 0.000 -5.752 6.963) 9.032 16.859 ( 0.000 -11.936 -13.302) 17.872 17.427 ( 0.000 -12.006 8.111) 14.489 17.753 ( 0.000 7.575 -35.469) 36.268 18.061 ( 0.000 -12.131 -16.904) 20.807 18.684 ( 0.000 -9.635 -12.373) 15.682 18.903 ( 0.000 -24.249 -1.535) 24.297 19.463 ( 0.000 -12.758 -21.366) 24.885 19.543 ( 0.000 -8.556 -15.005) 17.273 20.368 ( 0.000 8.483 0.782) 8.519 20.852 ( 0.000 0.737 -6.642) 6.683 21.240 ( 0.000 -4.594 -11.747) 12.613 21.368 ( 0.000 -0.513 -9.267) 9.281 22.492 ( 0.000 -3.292 -8.213) 8.848 22.528 ( 0.000 6.589 3.332) 7.384 23.012 ( 0.000 -5.389 -15.324) 16.244 23.296 ( 0.000 1.635 -9.190) 9.334 24.018 ( 0.000 -16.091 10.484) 19.205 24.684 ( 0.000 8.677 7.114) 11.220 25.042 ( 0.000 -2.642 -13.416) 13.674 25.073 ( 0.000 7.849 -1.113) 7.928 26.260 ( 0.000 -11.658 14.008) 18.224 26.486 ( 0.000 -18.717 4.306) 19.206 27.326 ( 0.000 -23.491 -9.002) 25.157 27.396 ( 0.000 2.446 -17.419) 17.590 29.531 ( 0.000 -1.128 2.245) 2.512 29.836 ( 0.000 -0.530 -3.865) 3.901 30.293 ( 0.000 10.845 8.097) 13.535 30.624 ( 0.000 6.809 11.144) 13.060 31.217 ( 0.000 15.414 24.097) 28.605 31.575 ( 0.000 16.197 1.083) 16.233 31.891 ( 0.000 8.627 23.699) 25.221 32.211 ( 0.000 7.834 10.030) 12.727 32.661 ( 0.000 10.608 -6.269) 12.322 33.027 ( 0.000 -3.997 8.239) 9.157 33.171 ( 0.000 8.911 5.640) 10.546 33.980 ( 0.000 -6.345 15.952) 17.168 34.780 ( 0.000 -0.146 12.250) 12.251 34.992 ( 0.000 -6.558 -3.893) 7.626 35.580 ( 0.000 8.943 0.711) 8.971 36.260 ( 0.000 -9.853 -17.070) 19.710 ======================= Grid point 236 (83/126) ======================= q-point: ( 0.20 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 0.940 7.073 -0.587) 7.159 1.916 ( 0.124 6.684 -3.080) 7.361 2.138 ( 0.891 0.601 1.044) 1.499 2.274 ( -3.298 -0.959 -1.843) 3.897 2.438 ( 3.140 -4.268 2.768) 5.978 2.567 ( -0.971 -5.736 0.555) 5.845 5.491 ( -4.244 8.826 5.455) 11.210 5.707 ( -2.397 5.461 0.032) 5.964 6.134 ( 12.594 -0.470 10.341) 16.303 6.449 ( 5.509 7.006 0.577) 8.931 6.999 ( 1.768 15.033 8.052) 17.145 7.606 ( -15.516 23.637 7.464) 29.243 8.184 ( 7.900 22.747 16.122) 28.978 8.763 ( -12.165 15.152 23.121) 30.202 8.974 ( 0.494 18.120 22.993) 29.279 9.511 ( 5.368 15.954 7.234) 18.321 9.727 ( 2.481 24.432 7.808) 25.769 9.941 ( -6.424 20.428 8.995) 23.227 10.561 ( 15.615 1.649 10.360) 18.812 11.056 ( -1.892 -0.955 0.171) 2.126 11.612 ( 3.285 5.064 12.471) 13.855 12.037 ( -3.961 5.158 6.350) 9.090 12.345 ( -18.740 1.890 6.754) 20.009 13.003 ( -10.095 0.196 -6.924) 12.243 13.331 ( 14.685 6.902 5.167) 17.029 13.668 ( 8.313 5.184 5.923) 11.448 14.345 ( 9.109 -13.558 8.906) 18.604 14.804 ( -6.405 -2.099 7.579) 10.143 15.199 ( -6.853 0.451 -1.583) 7.048 15.570 ( -4.391 -11.199 -11.648) 16.744 16.349 ( 5.101 -3.329 -5.359) 8.113 16.526 ( 5.975 -3.102 3.567) 7.619 16.902 ( 3.537 -10.817 -15.039) 18.860 17.327 ( -8.515 -11.310 3.604) 14.608 17.819 ( 4.717 2.767 -31.918) 32.383 18.081 ( 2.375 -10.370 -15.496) 18.797 18.617 ( -6.648 -9.238 -12.352) 16.796 18.782 ( -10.037 -19.870 -4.791) 22.771 19.510 ( 3.361 -14.063 -15.799) 21.417 19.671 ( 12.111 -11.360 -17.075) 23.818 20.287 ( -6.510 2.179 -4.517) 8.217 20.897 ( -0.962 6.174 -6.793) 9.230 21.147 ( -1.687 -3.825 -9.460) 10.343 21.491 ( 8.258 0.087 -6.702) 10.636 22.360 ( -6.491 0.215 -5.350) 8.415 22.694 ( 9.731 2.568 2.533) 10.378 22.941 ( -5.360 -5.070 -16.948) 18.485 23.334 ( 1.832 1.264 -7.797) 8.108 23.919 ( -8.518 -13.310 7.769) 17.609 24.701 ( 0.619 7.847 -0.509) 7.887 24.988 ( -0.555 -2.801 4.193) 5.074 25.214 ( 9.532 4.862 -7.666) 13.163 26.167 ( -8.806 -11.335 9.698) 17.323 26.513 ( 2.092 -15.375 2.556) 15.726 27.267 ( -3.613 -12.250 -10.738) 16.686 27.451 ( 3.368 -10.225 -11.267) 15.584 29.540 ( 0.947 -0.350 1.829) 2.089 29.771 ( -5.479 0.196 -1.144) 5.601 30.338 ( 3.449 9.797 7.684) 12.920 30.591 ( -2.827 6.683 11.152) 13.305 31.266 ( 4.964 14.755 21.994) 26.946 31.567 ( -0.657 16.155 1.395) 16.229 31.902 ( 0.000 9.315 20.784) 22.776 32.158 ( -4.481 7.868 13.808) 16.512 32.680 ( 1.831 11.457 -7.091) 13.597 32.952 ( -4.201 0.357 3.473) 5.462 33.322 ( 11.694 1.652 10.703) 15.939 33.930 ( -5.244 -4.939 15.021) 16.659 34.804 ( 2.489 -0.616 10.934) 11.230 34.974 ( -1.753 -5.525 -2.518) 6.320 35.641 ( 6.029 6.998 -0.394) 9.245 36.214 ( -4.751 -9.194 -16.715) 19.659 ======================= Grid point 237 (84/126) ======================= q-point: ( 0.40 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.580 6.890 -0.720) 6.952 1.918 ( 0.066 6.524 -3.004) 7.183 2.163 ( 1.712 0.652 0.495) 1.898 2.216 ( -2.681 0.292 -0.260) 2.709 2.492 ( 2.472 -5.557 1.605) 6.290 2.542 ( -1.661 -5.131 0.961) 5.478 5.489 ( 3.632 9.774 3.402) 10.968 5.601 ( -7.136 8.563 0.223) 11.149 6.284 ( 2.960 -0.533 8.130) 8.668 6.642 ( 10.837 4.846 12.103) 16.953 7.081 ( 8.505 17.241 9.076) 21.260 7.326 ( -15.063 19.392 4.952) 25.049 8.140 ( -7.709 14.711 18.463) 24.834 8.637 ( -1.189 20.764 14.101) 25.128 9.048 ( 5.142 12.327 17.834) 22.281 9.567 ( -3.404 31.922 10.890) 33.900 9.738 ( 5.474 21.792 11.333) 25.165 9.897 ( -2.079 19.474 9.113) 21.601 10.812 ( 9.392 -1.583 9.159) 13.214 11.023 ( -1.637 -2.870 0.604) 3.359 11.652 ( 2.006 5.057 4.331) 6.954 11.867 ( -11.920 7.440 8.592) 16.470 12.226 ( 4.163 4.600 2.180) 6.576 12.735 ( -12.680 -7.162 6.609) 15.992 13.620 ( 11.707 9.983 4.182) 15.944 13.779 ( 2.131 5.312 7.217) 9.211 14.530 ( 9.196 -12.496 6.284) 16.739 14.684 ( -5.858 -7.155 7.904) 12.165 15.104 ( -2.535 0.716 -0.905) 2.786 15.403 ( -9.165 0.549 -11.571) 14.771 16.500 ( 7.288 -8.823 -3.371) 11.930 16.624 ( 3.252 -0.431 2.402) 4.065 16.955 ( 1.796 -10.544 -17.427) 20.447 17.184 ( -5.418 -15.642 1.188) 16.596 17.881 ( 1.954 -2.025 -31.129) 31.255 18.127 ( 1.299 -6.151 -13.978) 15.327 18.511 ( -2.062 -10.587 -10.737) 15.220 18.612 ( -7.328 -14.872 -8.005) 18.410 19.565 ( 2.035 -14.353 -12.345) 19.041 19.877 ( 7.282 -15.805 -19.304) 25.989 20.200 ( -1.871 -1.897 -8.228) 8.648 20.768 ( -7.443 1.015 -13.193) 15.182 21.215 ( 4.146 7.745 -1.502) 8.912 21.611 ( 3.810 0.183 -4.013) 5.536 22.280 ( -2.067 -0.450 -6.203) 6.554 22.776 ( -1.442 -2.391 -4.680) 5.450 22.945 ( 6.145 -0.194 -7.164) 9.440 23.300 ( -4.729 -0.020 -5.290) 7.096 23.802 ( -2.862 -9.258 3.147) 10.188 24.688 ( -1.159 3.618 -9.795) 10.506 25.016 ( 2.040 -0.900 12.435) 12.634 25.372 ( 5.983 2.133 0.753) 6.396 26.001 ( -6.794 -10.968 1.244) 12.962 26.539 ( 0.568 -8.221 -2.337) 8.566 27.227 ( -0.737 -12.869 -7.749) 15.040 27.491 ( 0.908 -13.531 -6.669) 15.112 29.560 ( 0.880 1.646 1.356) 2.307 29.685 ( -2.900 -0.444 1.538) 3.313 30.380 ( 0.971 9.770 9.199) 13.454 30.549 ( -1.233 5.801 10.108) 11.719 31.376 ( 5.854 12.982 16.648) 21.908 31.538 ( -2.858 15.336 5.396) 16.506 31.880 ( -1.296 13.911 12.432) 18.701 32.095 ( -1.799 6.025 21.406) 22.311 32.714 ( 1.343 13.360 -8.652) 15.973 32.900 ( -1.468 -0.383 2.185) 2.660 33.532 ( 9.584 -5.865 15.728) 19.329 33.805 ( -7.125 0.394 11.533) 13.562 34.861 ( 3.108 -1.307 9.345) 9.935 34.933 ( -2.488 -4.404 -1.084) 5.173 35.764 ( 5.629 4.085 -1.518) 7.119 36.111 ( -4.966 -7.951 -16.590) 19.055 ======================= Grid point 240 (85/126) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.000 7.116 -3.325) 7.854 2.031 ( 0.000 4.173 -5.292) 6.739 2.135 ( 0.000 0.097 0.693) 0.700 2.289 ( 0.000 -0.910 -3.564) 3.678 2.327 ( 0.000 -2.993 4.924) 5.762 2.462 ( 0.000 -5.223 0.274) 5.230 5.519 ( 0.000 -5.570 -2.411) 6.069 5.872 ( 0.000 -5.991 -4.409) 7.439 5.944 ( 0.000 11.697 11.366) 16.310 6.719 ( 0.000 16.032 -5.288) 16.881 7.335 ( 0.000 19.271 13.391) 23.467 8.328 ( 0.000 18.313 21.456) 28.208 8.484 ( 0.000 28.402 3.158) 28.577 9.180 ( 0.000 1.306 31.164) 31.192 9.290 ( 0.000 14.789 30.487) 33.885 9.615 ( 0.000 -6.440 0.526) 6.462 9.626 ( 0.000 -2.658 6.719) 7.226 10.516 ( 0.000 6.201 5.316) 8.168 10.602 ( 0.000 17.080 3.900) 17.520 11.117 ( 0.000 3.275 -0.995) 3.423 11.524 ( 0.000 3.237 19.363) 19.632 12.279 ( 0.000 12.894 5.756) 14.121 12.798 ( 0.000 16.084 19.179) 25.030 13.071 ( 0.000 4.134 -0.174) 4.138 13.507 ( 0.000 1.674 -22.516) 22.578 13.695 ( 0.000 14.503 17.986) 23.105 13.972 ( 0.000 -6.749 10.231) 12.256 14.807 ( 0.000 -7.339 7.790) 10.703 15.037 ( 0.000 -23.532 -4.542) 23.967 15.293 ( 0.000 -3.105 4.767) 5.689 16.376 ( 0.000 -9.857 -1.097) 9.918 16.494 ( 0.000 9.594 -5.461) 11.040 16.691 ( 0.000 3.315 -7.353) 8.065 17.254 ( 0.000 -5.372 0.511) 5.396 17.814 ( 0.000 -12.255 -9.508) 15.510 17.865 ( 0.000 -2.376 -30.326) 30.419 18.453 ( 0.000 -13.745 -12.591) 18.640 18.486 ( 0.000 -8.499 -25.076) 26.477 19.217 ( 0.000 -10.777 -21.380) 23.943 19.246 ( 0.000 -18.061 -27.215) 32.663 20.598 ( 0.000 11.759 2.954) 12.124 20.844 ( 0.000 -0.275 -1.928) 1.947 21.141 ( 0.000 -5.003 -7.995) 9.431 21.312 ( 0.000 -4.863 -4.041) 6.322 22.439 ( 0.000 -2.063 -7.905) 8.170 22.636 ( 0.000 3.955 7.733) 8.686 22.917 ( 0.000 -3.901 -15.678) 16.156 23.310 ( 0.000 -0.316 -3.901) 3.914 23.762 ( 0.000 -8.587 10.843) 13.832 24.812 ( 0.000 3.762 14.519) 14.998 24.959 ( 0.000 -4.807 -17.204) 17.863 25.281 ( 0.000 12.561 -2.803) 12.870 26.100 ( 0.000 -4.524 13.656) 14.385 26.190 ( 0.000 -11.319 -4.899) 12.334 26.890 ( 0.000 -18.383 -12.072) 21.993 27.445 ( 0.000 2.132 -20.983) 21.091 29.510 ( 0.000 -0.748 1.939) 2.078 29.824 ( 0.000 -0.607 -5.444) 5.478 30.480 ( 0.000 7.147 7.998) 10.726 30.751 ( 0.000 5.695 13.287) 14.456 31.473 ( 0.000 9.798 24.965) 26.819 31.854 ( 0.000 10.509 1.302) 10.589 31.927 ( 0.000 -2.370 31.915) 32.003 32.217 ( 0.000 -5.360 23.858) 24.453 32.958 ( 0.000 15.257 -13.235) 20.198 33.087 ( 0.000 8.567 -5.768) 10.328 33.339 ( 0.000 6.800 3.023) 7.442 33.793 ( 0.000 -10.810 -0.781) 10.838 34.777 ( 0.000 -0.204 15.412) 15.414 34.924 ( 0.000 -1.136 8.294) 8.371 35.734 ( 0.000 5.887 -0.021) 5.887 36.087 ( 0.000 -6.645 -9.101) 11.268 ======================= Grid point 241 (86/126) ======================= q-point: ( 0.20 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 0.609 6.907 -3.280) 7.670 2.029 ( -0.178 3.944 -5.040) 6.402 2.148 ( 1.302 0.420 0.318) 1.405 2.261 ( -2.039 -0.213 -1.132) 2.342 2.353 ( 1.789 -3.777 2.491) 4.866 2.456 ( -0.566 -5.038 0.585) 5.104 5.563 ( 4.509 0.514 -1.800) 4.882 5.822 ( -2.381 2.657 -1.824) 4.007 6.089 ( 11.192 -1.370 9.162) 14.529 6.659 ( -4.734 12.631 -2.007) 13.638 7.390 ( 5.105 20.213 12.534) 24.326 8.081 ( -17.119 21.680 10.569) 29.577 8.646 ( 1.854 21.252 16.855) 27.187 8.914 ( -12.976 3.806 17.049) 21.761 9.323 ( 2.077 13.583 31.268) 34.154 9.612 ( 9.289 -0.483 6.261) 11.213 9.930 ( 14.841 -2.014 10.428) 18.249 10.471 ( -3.865 15.243 5.768) 16.750 10.680 ( 6.753 8.482 2.127) 11.049 11.035 ( -7.422 -0.644 -2.507) 7.860 11.560 ( 2.060 0.284 14.968) 15.111 12.217 ( -5.845 12.579 9.083) 16.580 12.544 ( -13.366 15.070 13.807) 24.421 13.133 ( -19.077 6.486 -9.648) 22.340 13.454 ( 19.289 5.213 12.472) 23.554 13.904 ( 11.220 9.683 2.302) 14.998 14.074 ( 9.714 -3.929 8.245) 13.333 14.640 ( -11.323 -10.916 7.131) 17.269 15.133 ( 1.444 -8.932 -1.801) 9.225 15.331 ( 4.790 -10.044 1.577) 11.239 16.342 ( -2.254 -1.004 -1.681) 2.985 16.507 ( 3.782 -2.388 -4.177) 6.120 16.749 ( 3.225 2.327 -7.046) 8.091 17.142 ( -10.621 -6.048 1.641) 12.332 17.801 ( 0.027 -9.337 -15.593) 18.174 17.921 ( 4.356 -6.420 -24.516) 25.715 18.422 ( -3.831 -10.742 -12.957) 17.261 18.449 ( -3.572 -5.409 -27.605) 28.355 19.194 ( 1.140 -15.018 -20.835) 25.709 19.372 ( 9.068 -16.611 -25.634) 31.863 20.370 ( -13.893 4.942 -0.315) 14.749 20.906 ( -13.043 -5.402 -7.705) 16.083 21.136 ( 15.898 3.387 -0.348) 16.258 21.475 ( 10.262 -1.697 -3.034) 10.835 22.361 ( -5.745 -0.074 -7.458) 9.414 22.682 ( 0.277 -3.682 3.272) 4.933 22.900 ( 1.702 0.885 -10.565) 10.738 23.346 ( 1.420 -0.368 -1.570) 2.148 23.729 ( -1.926 -5.091 6.535) 8.505 24.732 ( -10.148 -4.266 -1.649) 11.131 24.974 ( 6.562 1.865 5.733) 8.911 25.373 ( 5.893 10.942 -7.629) 14.582 25.999 ( -9.150 -5.830 8.797) 13.968 26.242 ( 5.010 -11.735 -3.844) 13.326 26.955 ( 5.826 -13.900 -11.147) 18.745 27.395 ( -4.885 0.372 -18.533) 19.169 29.530 ( 1.970 -0.479 1.230) 2.371 29.769 ( -5.062 -0.293 -3.600) 6.218 30.511 ( 2.726 6.717 8.006) 10.800 30.720 ( -3.014 5.730 12.810) 14.353 31.508 ( 3.462 9.194 24.142) 26.065 31.806 ( -3.273 5.897 9.824) 11.916 31.979 ( 3.723 1.863 22.970) 23.344 32.188 ( -2.795 -3.601 22.833) 23.284 32.960 ( 0.316 12.757 -10.334) 16.421 33.084 ( -0.555 12.341 -6.598) 14.005 33.362 ( 2.312 1.503 2.193) 3.523 33.790 ( -0.219 -7.937 -0.895) 7.990 34.793 ( 1.665 -0.521 14.506) 14.611 34.913 ( -1.215 -1.255 8.998) 9.166 35.767 ( 3.370 4.921 -0.532) 5.988 36.057 ( -3.145 -5.794 -8.707) 10.922 ======================= Grid point 242 (87/126) ======================= q-point: ( 0.40 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 0.380 6.590 -3.220) 7.344 2.026 ( -0.113 3.645 -4.706) 5.954 2.178 ( 1.608 0.809 -0.248) 1.817 2.225 ( -1.712 0.682 -0.552) 1.924 2.379 ( 0.890 -5.042 1.890) 5.458 2.445 ( -0.501 -4.460 1.127) 4.627 5.665 ( 5.648 7.478 -0.325) 9.376 5.775 ( -3.262 7.272 -1.954) 8.206 6.251 ( 3.955 -2.472 7.450) 8.790 6.631 ( 2.361 -2.702 3.591) 5.077 7.498 ( 6.140 20.017 13.798) 25.075 7.764 ( -14.803 21.685 7.878) 27.412 8.464 ( -9.078 17.235 19.070) 27.260 8.907 ( 2.380 6.474 6.582) 9.534 9.371 ( 2.064 18.441 37.279) 41.642 9.872 ( 16.576 5.574 6.033) 18.500 10.072 ( -1.052 3.226 11.436) 11.929 10.370 ( -6.051 17.808 9.361) 21.009 10.808 ( 6.121 0.314 -3.271) 6.947 10.905 ( -5.590 -5.735 -5.949) 9.976 11.562 ( -1.054 -4.738 9.101) 10.315 12.114 ( -3.944 16.057 18.059) 24.485 12.442 ( 1.596 13.117 5.077) 14.156 12.785 ( -14.222 8.868 3.027) 17.032 13.794 ( 13.911 2.566 13.409) 19.491 14.011 ( -0.684 13.359 3.518) 13.831 14.284 ( 11.780 -5.720 4.739) 13.927 14.462 ( -8.215 -8.931 5.166) 13.188 15.107 ( -1.666 -2.235 3.406) 4.401 15.355 ( -2.305 -6.402 -3.852) 7.819 16.414 ( 9.713 -1.851 -3.436) 10.468 16.573 ( 0.447 -8.416 -3.068) 8.968 16.736 ( -4.782 -6.920 -5.880) 10.263 16.963 ( -5.410 -2.350 3.269) 6.744 17.824 ( 1.751 -6.654 -19.072) 20.276 17.988 ( 2.072 -8.821 -18.905) 20.964 18.340 ( -3.063 -4.567 -26.260) 26.830 18.378 ( -3.265 -4.890 -19.898) 20.748 19.237 ( 2.140 -15.525 -17.695) 23.637 19.517 ( 4.866 -18.654 -27.177) 33.321 20.201 ( -3.851 1.841 -2.095) 4.755 20.670 ( -9.086 -8.465 -8.278) 14.924 21.395 ( 9.106 7.794 -0.025) 11.986 21.609 ( 3.399 -0.214 -0.672) 3.471 22.284 ( -1.949 0.711 -8.427) 8.679 22.617 ( -4.004 -9.662 -7.487) 12.863 23.014 ( 7.551 3.790 4.517) 9.580 23.290 ( -6.144 -1.393 1.691) 6.523 23.745 ( 2.483 3.487 -2.151) 4.790 24.553 ( -6.590 -11.921 -2.385) 13.828 25.140 ( 8.592 7.825 8.837) 14.600 25.413 ( -1.719 3.527 0.601) 3.969 25.847 ( -5.141 -4.327 -3.944) 7.792 26.332 ( 3.371 -12.027 -3.305) 12.920 27.059 ( 4.228 -4.646 -13.418) 14.816 27.297 ( -4.421 -5.626 -12.026) 13.993 29.576 ( 2.767 0.343 -0.192) 2.795 29.674 ( -4.293 -0.533 -0.854) 4.409 30.557 ( 1.802 7.067 9.422) 11.915 30.663 ( -2.386 4.876 11.086) 12.344 31.580 ( 3.398 7.449 21.642) 23.139 31.747 ( -2.806 5.159 14.854) 15.973 32.045 ( 3.229 3.260 18.073) 18.646 32.131 ( -3.012 -1.083 21.471) 21.708 32.969 ( 0.534 8.753 -6.801) 11.097 33.066 ( -1.002 16.007 -5.304) 16.892 33.405 ( 1.653 -4.761 -0.746) 5.095 33.786 ( -0.165 -3.159 -0.780) 3.258 34.833 ( 2.532 -1.190 12.094) 12.413 34.880 ( -2.233 -1.345 11.061) 11.364 35.843 ( 4.133 3.077 -0.996) 5.248 35.984 ( -4.013 -4.101 -8.413) 10.183 ======================= Grid point 245 (88/126) ======================= q-point: ( 0.00 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.000 5.330 -5.648) 7.766 2.063 ( 0.000 -1.351 -6.769) 6.903 2.136 ( 0.000 -0.008 0.573) 0.573 2.277 ( 0.000 -0.248 -2.877) 2.888 2.298 ( 0.000 0.538 4.659) 4.690 2.369 ( 0.000 -3.568 1.416) 3.839 5.438 ( 0.000 -2.041 -0.892) 2.227 5.776 ( 0.000 -2.762 -9.462) 9.857 6.100 ( 0.000 3.741 11.825) 12.402 6.984 ( 0.000 7.675 -6.337) 9.953 7.665 ( 0.000 10.208 15.876) 18.874 8.681 ( 0.000 14.321 19.757) 24.402 8.952 ( 0.000 12.595 14.750) 19.396 9.169 ( 0.000 4.508 15.839) 16.468 9.302 ( 0.000 -10.244 16.579) 19.488 9.430 ( 0.000 -11.771 -4.348) 12.548 9.748 ( 0.000 12.419 24.352) 27.336 10.528 ( 0.000 -12.539 16.550) 20.764 10.549 ( 0.000 -0.925 2.805) 2.954 11.180 ( 0.000 1.858 3.105) 3.618 11.894 ( 0.000 20.314 7.706) 21.726 12.571 ( 0.000 12.512 6.363) 14.037 13.046 ( 0.000 -4.866 6.023) 7.743 13.092 ( 0.000 2.673 13.608) 13.868 13.338 ( 0.000 -1.737 -0.268) 1.758 13.922 ( 0.000 -6.404 -0.164) 6.406 14.081 ( 0.000 19.060 14.342) 23.854 14.590 ( 0.000 -12.964 11.959) 17.638 14.775 ( 0.000 -1.306 -10.927) 11.005 15.206 ( 0.000 -3.429 4.981) 6.048 16.099 ( 0.000 -10.883 0.337) 10.888 16.701 ( 0.000 8.265 -2.702) 8.695 16.980 ( 0.000 20.520 -6.335) 21.475 17.184 ( 0.000 -1.904 -9.906) 10.087 17.517 ( 0.000 -24.592 -10.705) 26.821 17.579 ( 0.000 -8.635 3.964) 9.501 18.375 ( 0.000 -2.316 -34.528) 34.606 18.513 ( 0.000 13.727 -32.309) 35.104 18.863 ( 0.000 -18.638 -33.452) 38.294 19.052 ( 0.000 -4.654 -21.699) 22.192 20.797 ( 0.000 6.712 -0.502) 6.731 20.858 ( 0.000 1.183 0.368) 1.239 21.043 ( 0.000 -4.030 -4.602) 6.117 21.206 ( 0.000 -4.017 -0.339) 4.032 22.407 ( 0.000 -0.889 -6.819) 6.877 22.691 ( 0.000 1.398 11.567) 11.651 22.859 ( 0.000 -1.539 -15.538) 15.614 23.294 ( 0.000 -0.729 -1.263) 1.459 23.659 ( 0.000 -2.112 8.902) 9.149 24.854 ( 0.000 0.800 19.413) 19.429 24.879 ( 0.000 -2.358 -20.013) 20.151 25.550 ( 0.000 11.623 -1.935) 11.783 25.980 ( 0.000 -9.111 -12.467) 15.442 26.049 ( 0.000 -0.949 13.262) 13.296 26.619 ( 0.000 -7.129 -14.111) 15.810 27.476 ( 0.000 0.819 -22.356) 22.371 29.501 ( 0.000 -0.219 1.824) 1.837 29.814 ( 0.000 -0.279 -6.379) 6.385 30.579 ( 0.000 2.479 8.590) 8.940 30.841 ( 0.000 2.572 14.345) 14.574 31.619 ( 0.000 4.194 21.286) 21.695 31.866 ( 0.000 -2.481 36.995) 37.078 31.999 ( 0.000 4.070 2.081) 4.571 32.098 ( 0.000 -4.567 25.079) 25.492 33.198 ( 0.000 6.917 -16.914) 18.274 33.293 ( 0.000 9.769 -3.170) 10.271 33.427 ( 0.000 1.827 4.347) 4.715 33.575 ( 0.000 -9.643 -14.458) 17.378 34.773 ( 0.000 -0.142 17.761) 17.762 34.915 ( 0.000 -0.057 14.992) 14.992 35.815 ( 0.000 2.029 -0.517) 2.094 35.997 ( 0.000 -2.202 -5.175) 5.625 ======================= Grid point 246 (89/126) ======================= q-point: ( 0.20 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.228 5.127 -5.378) 7.434 2.058 ( -0.393 -1.248 -6.236) 6.372 2.155 ( 1.867 0.140 -0.350) 1.905 2.266 ( -1.016 0.456 -2.379) 2.626 2.305 ( 0.531 -0.180 4.036) 4.075 2.365 ( -0.329 -3.609 1.883) 4.084 5.571 ( 13.155 0.483 -1.675) 13.270 5.798 ( 2.448 -2.415 -7.161) 7.944 6.104 ( 0.836 1.303 11.944) 12.044 6.878 ( -11.234 6.597 -4.687) 13.845 7.711 ( 4.634 9.064 14.496) 17.713 8.446 ( -19.856 12.013 15.904) 28.134 8.932 ( -8.049 5.071 24.777) 26.540 9.007 ( -5.582 3.706 7.586) 10.121 9.453 ( 15.072 4.435 9.575) 18.398 9.614 ( 15.394 -4.821 7.559) 17.815 9.903 ( 10.772 5.256 22.103) 25.144 10.508 ( -1.337 -6.299 7.758) 10.082 10.589 ( 3.195 -8.965 10.993) 14.540 11.051 ( -13.687 0.792 0.011) 13.710 11.889 ( -0.543 21.059 5.281) 21.718 12.473 ( -8.515 7.422 5.690) 12.648 12.801 ( -12.100 8.017 12.353) 19.060 13.073 ( -9.492 -8.891 -1.904) 13.144 13.566 ( 15.775 6.677 11.253) 20.495 13.817 ( 2.631 -8.913 17.814) 20.092 14.335 ( 12.197 15.954 4.231) 20.523 14.554 ( -1.236 0.606 -2.000) 2.428 14.874 ( 8.851 -11.667 -2.890) 14.926 15.179 ( -2.240 -4.965 5.576) 7.795 16.149 ( 4.800 -9.598 -0.608) 10.749 16.587 ( -10.176 4.876 -3.358) 11.773 16.953 ( -4.646 13.171 -4.510) 14.676 17.084 ( -7.823 -0.547 -2.046) 8.105 17.540 ( 4.378 -13.440 -8.057) 16.270 17.672 ( 6.829 -11.450 -9.121) 16.153 18.320 ( -3.268 -1.583 -31.265) 31.475 18.543 ( -1.645 11.514 -34.884) 36.772 18.904 ( 5.586 -13.875 -27.531) 31.331 19.086 ( 3.600 -8.404 -26.173) 27.724 20.475 ( -16.128 4.540 0.306) 16.757 20.768 ( -17.933 -5.983 -3.063) 19.151 21.211 ( 19.123 2.551 -0.746) 19.307 21.436 ( 13.544 -1.519 -1.358) 13.696 22.358 ( -4.178 -0.090 -7.262) 8.378 22.609 ( -7.738 -2.295 0.210) 8.074 22.927 ( 6.432 0.975 -3.286) 7.288 23.328 ( 0.643 -0.812 2.402) 2.616 23.684 ( 5.045 -0.400 4.213) 6.585 24.642 ( -16.258 -2.913 -5.187) 17.312 25.006 ( 9.374 0.815 7.805) 12.225 25.635 ( 4.686 13.364 -5.493) 15.190 25.894 ( -10.230 -6.506 7.293) 14.148 26.023 ( 2.502 -7.820 -9.449) 12.518 26.763 ( 12.406 -4.664 -11.701) 17.679 27.408 ( -7.031 0.470 -20.329) 21.516 29.523 ( 2.324 -0.138 0.940) 2.510 29.763 ( -4.840 -0.192 -4.918) 6.903 30.604 ( 2.379 2.301 8.556) 9.173 30.809 ( -3.279 2.533 13.545) 14.165 31.646 ( 2.621 4.045 22.023) 22.544 31.823 ( -3.172 -1.499 29.343) 29.552 32.036 ( 2.661 2.461 10.029) 10.664 32.096 ( -0.177 -3.700 23.025) 23.321 33.173 ( -1.794 7.440 -10.070) 12.648 33.329 ( -0.754 6.333 -2.081) 6.709 33.373 ( -0.068 2.457 -6.560) 7.006 33.625 ( 3.338 -7.529 -11.154) 13.865 34.784 ( 1.253 -0.249 17.617) 17.663 34.901 ( -1.540 -0.184 15.386) 15.464 35.835 ( 1.995 1.689 -0.948) 2.780 35.981 ( -1.665 -1.767 -4.768) 5.350 ======================= Grid point 247 (90/126) ======================= q-point: ( 0.40 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 331 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( 0.202 4.961 -5.040) 7.075 2.052 ( -0.240 -1.279 -5.752) 5.898 2.195 ( 2.164 0.722 -1.463) 2.710 2.242 ( -1.618 0.403 -2.775) 3.237 2.313 ( 0.215 -0.451 4.462) 4.490 2.360 ( -0.186 -3.682 2.476) 4.441 5.798 ( 6.928 5.378 -1.744) 8.942 5.858 ( 2.779 0.344 -3.043) 4.136 6.200 ( 12.410 -1.794 8.539) 15.170 6.588 ( -18.709 -1.184 0.112) 18.747 7.826 ( 7.612 10.361 14.026) 19.027 8.092 ( -15.621 7.917 13.453) 22.084 8.796 ( -3.912 13.636 15.219) 20.806 8.960 ( -1.230 -1.741 11.185) 11.387 9.704 ( 8.439 12.772 25.357) 29.620 9.926 ( 11.924 -4.398 15.691) 20.193 10.071 ( 11.732 5.538 9.590) 16.133 10.465 ( -4.946 -2.846 2.274) 6.142 10.638 ( 1.351 -13.683 12.894) 18.850 10.732 ( -15.846 -6.548 -6.405) 18.303 11.880 ( -0.209 26.621 1.813) 26.684 12.337 ( -4.748 -4.562 3.864) 7.635 12.668 ( -2.557 12.979 11.840) 17.754 12.891 ( -6.968 -1.493 3.654) 8.008 13.770 ( 6.802 0.894 22.071) 23.113 13.928 ( 3.050 -12.332 21.649) 25.101 14.476 ( 6.455 13.365 -0.896) 14.869 14.566 ( -0.309 12.635 -15.556) 20.043 15.008 ( 3.706 -5.823 3.508) 7.743 15.151 ( -0.626 -11.071 7.378) 13.319 16.254 ( 6.419 -8.278 -2.796) 10.842 16.402 ( -8.753 -6.313 -4.793) 11.809 16.820 ( -6.165 12.084 -0.601) 13.579 16.992 ( -2.349 -1.034 2.497) 3.581 17.649 ( 5.407 -5.723 -11.281) 13.757 17.762 ( 1.841 -10.440 -14.097) 17.638 18.309 ( 3.118 0.555 -29.456) 29.626 18.430 ( -8.434 5.004 -32.182) 33.643 19.017 ( 4.221 -3.776 -25.435) 26.058 19.164 ( 3.481 -14.040 -31.455) 34.622 20.278 ( -4.458 5.362 0.577) 6.997 20.481 ( -10.762 -8.615 -2.037) 13.934 21.503 ( 11.277 2.715 -1.058) 11.647 21.605 ( 3.234 -0.180 -0.743) 3.323 22.308 ( -0.149 1.468 -8.206) 8.338 22.453 ( -7.411 -5.352 -6.413) 11.167 23.071 ( 8.450 1.697 5.370) 10.155 23.253 ( -7.423 -1.574 6.257) 9.835 23.877 ( 13.037 6.733 -3.125) 15.002 24.324 ( -15.781 -8.560 -4.000) 18.393 25.227 ( 14.261 1.360 9.569) 17.228 25.511 ( -14.863 3.567 6.534) 16.623 25.850 ( 2.369 5.455 -9.801) 11.465 26.075 ( 2.025 -12.167 -8.484) 14.971 27.002 ( 12.637 -1.263 -12.533) 17.843 27.237 ( -10.840 -1.032 -15.633) 19.051 29.581 ( 3.737 0.099 -0.790) 3.820 29.666 ( -5.059 -0.247 -2.509) 5.652 30.656 ( 3.214 2.504 9.552) 10.385 30.735 ( -4.203 1.919 11.545) 12.435 31.696 ( 2.164 4.035 24.280) 24.708 31.777 ( -1.641 -1.175 25.014) 25.095 32.074 ( 1.407 0.469 14.720) 14.795 32.091 ( -0.455 -1.740 18.552) 18.639 33.149 ( -0.642 7.584 -6.350) 9.912 33.261 ( -2.773 -0.921 4.569) 5.424 33.437 ( 2.841 10.167 -18.118) 20.969 33.665 ( 0.879 -8.418 -9.239) 12.529 34.817 ( 2.228 -0.370 16.980) 17.130 34.863 ( -2.398 -0.430 16.427) 16.607 35.882 ( 2.947 0.841 -1.929) 3.621 35.939 ( -2.747 -0.759 -3.818) 4.764 ======================= Grid point 275 (91/126) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 0.000 0.921) 0.921 1.565 ( 0.000 0.000 0.747) 0.747 2.155 ( 0.000 0.000 1.874) 1.874 2.277 ( 0.000 0.000 -5.871) 5.871 2.717 ( 0.000 0.000 7.339) 7.339 2.867 ( 0.000 0.000 -0.213) 0.213 5.299 ( 0.000 0.000 15.525) 15.525 5.858 ( 0.000 0.000 37.942) 37.942 5.944 ( 0.000 0.000 -19.661) 19.661 6.550 ( 0.000 0.000 4.654) 4.654 6.593 ( 0.000 0.000 -1.634) 1.634 7.155 ( 0.000 0.000 -26.038) 26.038 7.451 ( 0.000 0.000 31.935) 31.935 7.958 ( 0.000 0.000 12.103) 12.103 8.169 ( 0.000 0.000 25.675) 25.675 8.300 ( 0.000 0.000 -9.082) 9.082 8.368 ( 0.000 0.000 0.191) 0.191 9.401 ( 0.000 0.000 -29.953) 29.953 10.996 ( 0.000 0.000 9.955) 9.955 11.277 ( 0.000 0.000 1.473) 1.473 11.582 ( 0.000 0.000 39.164) 39.164 12.269 ( 0.000 0.000 32.140) 32.140 12.760 ( 0.000 0.000 -16.186) 16.186 13.043 ( 0.000 0.000 0.991) 0.991 13.685 ( 0.000 0.000 6.909) 6.909 14.060 ( 0.000 0.000 15.867) 15.867 14.230 ( 0.000 0.000 -15.486) 15.486 14.416 ( 0.000 0.000 12.112) 12.112 15.224 ( 0.000 0.000 2.085) 2.085 15.698 ( 0.000 0.000 -19.642) 19.642 15.732 ( 0.000 0.000 -28.739) 28.739 16.240 ( 0.000 0.000 -39.734) 39.734 17.483 ( 0.000 0.000 18.685) 18.685 17.996 ( 0.000 0.000 -6.473) 6.473 18.284 ( 0.000 0.000 -3.262) 3.262 18.343 ( 0.000 0.000 -11.238) 11.238 19.164 ( 0.000 0.000 16.084) 16.084 19.297 ( 0.000 0.000 24.533) 24.533 19.705 ( 0.000 0.000 -15.085) 15.085 19.810 ( 0.000 0.000 0.580) 0.580 20.291 ( 0.000 0.000 1.371) 1.371 20.440 ( 0.000 0.000 -5.097) 5.097 20.763 ( 0.000 0.000 -24.191) 24.191 20.810 ( 0.000 0.000 -24.547) 24.547 22.270 ( 0.000 0.000 5.090) 5.090 22.692 ( 0.000 0.000 2.860) 2.860 22.756 ( 0.000 0.000 -19.726) 19.726 23.044 ( 0.000 0.000 -14.983) 14.983 24.416 ( 0.000 0.000 8.516) 8.516 24.693 ( 0.000 0.000 -6.357) 6.357 24.851 ( 0.000 0.000 0.235) 0.235 24.873 ( 0.000 0.000 -0.690) 0.690 27.184 ( 0.000 0.000 5.976) 5.976 27.356 ( 0.000 0.000 -2.911) 2.911 28.196 ( 0.000 0.000 10.420) 10.420 28.396 ( 0.000 0.000 0.936) 0.936 29.526 ( 0.000 0.000 9.966) 9.966 29.940 ( 0.000 0.000 -10.335) 10.335 30.076 ( 0.000 0.000 4.099) 4.099 30.136 ( 0.000 0.000 -0.777) 0.777 30.550 ( 0.000 0.000 4.186) 4.186 30.562 ( 0.000 0.000 2.262) 2.262 30.904 ( 0.000 0.000 13.466) 13.466 31.396 ( 0.000 0.000 -9.401) 9.401 32.993 ( 0.000 0.000 11.882) 11.882 33.093 ( 0.000 0.000 7.896) 7.896 34.243 ( 0.000 0.000 24.608) 24.608 34.262 ( 0.000 0.000 27.692) 27.692 34.981 ( 0.000 0.000 4.686) 4.686 35.066 ( 0.000 0.000 -1.465) 1.465 35.411 ( 0.000 0.000 -12.336) 12.336 35.910 ( 0.000 0.000 -34.371) 34.371 ======================= Grid point 276 (92/126) ======================= q-point: ( 0.20 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.052 0.000 0.945) 0.946 1.564 ( -0.113 0.000 0.786) 0.794 2.152 ( -0.180 0.000 1.714) 1.724 2.248 ( -2.788 0.000 -4.236) 5.071 2.738 ( 1.974 0.000 5.779) 6.107 2.853 ( -1.323 0.000 0.095) 1.326 5.331 ( 3.375 0.000 13.426) 13.843 5.716 ( -9.826 0.000 3.540) 10.445 6.056 ( 8.155 0.000 21.778) 23.255 6.585 ( -2.096 0.000 2.687) 3.408 6.666 ( 10.339 0.000 -1.095) 10.397 6.988 ( -9.824 0.000 -2.326) 10.096 7.666 ( 8.349 0.000 8.359) 11.814 7.802 ( -13.464 0.000 8.970) 16.179 7.951 ( -2.684 0.000 10.496) 10.834 8.398 ( 8.265 0.000 -8.406) 11.789 8.626 ( 14.112 0.000 8.318) 16.381 9.282 ( -13.335 0.000 -23.856) 27.330 11.032 ( 5.269 0.000 16.762) 17.571 11.286 ( 1.012 0.000 4.111) 4.234 11.696 ( 10.371 0.000 28.775) 30.586 12.190 ( -7.392 0.000 27.473) 28.450 12.692 ( -7.157 0.000 -6.464) 9.644 12.880 ( -15.082 0.000 4.973) 15.881 13.721 ( 4.184 0.000 -1.866) 4.581 14.059 ( -2.462 0.000 -7.522) 7.914 14.327 ( 10.826 0.000 3.455) 11.364 14.498 ( 7.637 0.000 13.262) 15.304 15.171 ( -5.124 0.000 4.030) 6.519 15.401 ( -16.680 0.000 -13.306) 21.337 15.999 ( 13.424 0.000 -32.602) 35.257 16.262 ( 1.645 0.000 -39.654) 39.688 17.557 ( 7.793 0.000 16.492) 18.240 17.984 ( -1.173 0.000 -4.345) 4.500 18.270 ( -1.487 0.000 -3.488) 3.792 18.315 ( -3.353 0.000 -9.432) 10.011 19.139 ( -1.563 0.000 12.659) 12.755 19.322 ( 1.223 0.000 18.169) 18.210 19.635 ( -5.115 0.000 -8.524) 9.941 19.808 ( -1.122 0.000 1.433) 1.820 20.287 ( 0.366 0.000 0.221) 0.427 20.442 ( -0.630 0.000 -6.692) 6.721 20.787 ( 2.586 0.000 -22.451) 22.599 20.837 ( 2.327 0.000 -22.827) 22.945 22.312 ( 4.159 0.000 3.341) 5.335 22.585 ( -6.156 0.000 -5.044) 7.959 22.879 ( 7.501 0.000 -11.698) 13.896 23.038 ( -0.578 0.000 -13.981) 13.993 24.388 ( -2.654 0.000 5.447) 6.059 24.525 ( -10.842 0.000 -2.544) 11.136 24.923 ( 4.990 0.000 1.672) 5.263 24.999 ( 8.678 0.000 -1.919) 8.888 27.056 ( -10.473 0.000 6.300) 12.222 27.225 ( -12.012 0.000 -2.462) 12.262 28.345 ( 13.488 0.000 9.539) 16.520 28.507 ( 9.772 0.000 2.019) 9.979 29.488 ( -3.900 0.000 7.734) 8.661 29.730 ( -15.203 0.000 -2.436) 15.397 30.123 ( -0.680 0.000 0.759) 1.019 30.168 ( 3.105 0.000 -1.408) 3.410 30.594 ( 3.793 0.000 3.453) 5.129 30.598 ( 3.535 0.000 2.322) 4.230 30.924 ( 2.458 0.000 9.980) 10.279 31.320 ( -7.482 0.000 -8.061) 10.998 33.045 ( 5.048 0.000 11.904) 12.930 33.135 ( 3.561 0.000 8.313) 9.044 34.227 ( -1.294 0.000 25.395) 25.428 34.257 ( -0.688 0.000 28.250) 28.258 35.013 ( 3.054 0.000 3.864) 4.925 35.080 ( 1.416 0.000 -2.584) 2.947 35.438 ( 3.171 0.000 -14.374) 14.719 35.854 ( -5.911 0.000 -33.148) 33.671 ======================= Grid point 277 (93/126) ======================= q-point: ( 0.40 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.141 0.000 0.956) 0.966 1.561 ( -0.181 0.000 0.883) 0.901 2.157 ( 0.965 0.000 0.799) 1.253 2.192 ( -2.790 0.000 -1.342) 3.096 2.780 ( 2.427 0.000 3.109) 3.944 2.822 ( -2.032 0.000 1.137) 2.329 5.418 ( 5.962 0.000 8.487) 10.372 5.548 ( -8.111 0.000 2.904) 8.615 6.238 ( 11.557 0.000 26.599) 29.001 6.459 ( -11.159 0.000 16.736) 20.115 6.844 ( 7.065 0.000 -3.072) 7.704 6.901 ( -0.833 0.000 0.064) 0.835 7.563 ( -6.859 0.000 6.068) 9.158 7.575 ( -8.428 0.000 6.352) 10.553 8.274 ( 24.195 0.000 -5.914) 24.907 8.525 ( 1.696 0.000 -9.098) 9.254 8.784 ( 3.728 0.000 2.648) 4.573 8.949 ( -18.791 0.000 -10.678) 21.613 11.184 ( 9.295 0.000 23.585) 25.351 11.294 ( -1.682 0.000 15.943) 16.032 11.895 ( 10.002 0.000 11.944) 15.579 12.047 ( -7.349 0.000 13.021) 14.952 12.552 ( -5.131 0.000 8.816) 10.201 12.606 ( -11.329 0.000 11.151) 15.896 13.833 ( 7.382 0.000 -12.888) 14.852 13.968 ( -6.678 0.000 -16.515) 17.815 14.554 ( 11.138 0.000 8.478) 13.998 14.628 ( 3.949 0.000 12.085) 12.714 15.073 ( -3.711 0.000 6.014) 7.067 15.131 ( -10.907 0.000 -1.920) 11.075 16.192 ( 7.322 0.000 -37.173) 37.888 16.270 ( -1.402 0.000 -39.027) 39.052 17.749 ( 11.970 0.000 11.165) 16.369 17.932 ( -6.076 0.000 3.255) 6.893 18.235 ( -1.833 0.000 -5.052) 5.374 18.238 ( -3.105 0.000 -7.116) 7.764 19.154 ( 3.807 0.000 5.048) 6.323 19.265 ( -6.827 0.000 2.547) 7.287 19.631 ( 4.924 0.000 6.601) 8.235 19.743 ( -5.705 0.000 5.046) 7.616 20.325 ( 3.653 0.000 -3.203) 4.858 20.400 ( -3.738 0.000 -6.630) 7.611 20.843 ( 2.724 0.000 -20.198) 20.381 20.867 ( 0.328 0.000 -20.443) 20.445 22.401 ( 4.943 0.000 -0.949) 5.033 22.487 ( -4.625 0.000 -4.443) 6.414 22.987 ( 3.838 0.000 -11.116) 11.760 23.026 ( -0.910 0.000 -11.944) 11.978 24.343 ( -1.301 0.000 1.474) 1.966 24.372 ( -5.042 0.000 -0.459) 5.063 25.031 ( 5.781 0.000 3.270) 6.642 25.090 ( 0.533 0.000 0.604) 0.806 26.922 ( -1.897 0.000 3.888) 4.326 27.004 ( -9.861 0.000 -0.296) 9.866 28.592 ( 10.770 0.000 8.313) 13.605 28.659 ( 4.074 0.000 5.271) 6.662 29.414 ( -2.375 0.000 3.209) 3.992 29.478 ( -10.060 0.000 0.415) 10.069 30.132 ( 1.656 0.000 2.170) 2.730 30.170 ( -1.882 0.000 0.848) 2.065 30.654 ( 2.073 0.000 2.654) 3.368 30.657 ( 1.872 0.000 2.151) 2.851 31.008 ( 6.695 0.000 2.278) 7.072 31.158 ( -9.134 0.000 -4.295) 10.094 33.142 ( 4.367 0.000 11.249) 12.067 33.180 ( 0.470 0.000 9.704) 9.715 34.214 ( 0.239 0.000 27.301) 27.302 34.234 ( -1.563 0.000 28.641) 28.684 35.072 ( 2.784 0.000 1.501) 3.163 35.099 ( 0.036 0.000 -1.717) 1.717 35.539 ( 7.858 0.000 -21.450) 22.844 35.707 ( -9.436 0.000 -29.015) 30.511 ======================= Grid point 280 (94/126) ======================= q-point: ( 0.00 0.09 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.000 1.563 2.241) 2.733 1.623 ( 0.000 4.356 -0.753) 4.420 2.154 ( 0.000 -0.052 1.740) 1.740 2.268 ( 0.000 -0.767 -5.415) 5.469 2.681 ( 0.000 -3.391 6.785) 7.585 2.819 ( 0.000 -4.348 -0.278) 4.357 5.364 ( 0.000 6.376 14.261) 15.622 5.865 ( 0.000 -0.592 27.636) 27.642 5.928 ( 0.000 0.400 -15.565) 15.570 6.465 ( 0.000 -7.111 1.952) 7.374 6.720 ( 0.000 8.952 2.334) 9.251 7.065 ( 0.000 0.005 -12.018) 12.018 7.759 ( 0.000 25.316 26.493) 36.643 8.131 ( 0.000 5.336 20.235) 20.927 8.299 ( 0.000 25.709 4.814) 26.156 8.571 ( 0.000 20.255 0.585) 20.263 8.613 ( 0.000 22.607 -1.026) 22.630 9.450 ( 0.000 4.913 -27.862) 28.292 10.965 ( 0.000 -3.194 12.448) 12.851 11.256 ( 0.000 -2.350 1.099) 2.594 11.630 ( 0.000 4.799 36.120) 36.437 12.235 ( 0.000 -2.876 26.085) 26.243 12.744 ( 0.000 -1.617 -16.895) 16.972 12.845 ( 0.000 -13.467 -2.288) 13.660 13.799 ( 0.000 6.959 10.278) 12.412 13.852 ( 0.000 -15.298 22.070) 26.853 14.407 ( 0.000 15.857 -10.260) 18.887 14.531 ( 0.000 6.159 6.655) 9.068 15.207 ( 0.000 -1.174 2.317) 2.597 15.676 ( 0.000 -4.729 -24.893) 25.338 15.750 ( 0.000 4.835 -20.027) 20.603 16.290 ( 0.000 4.273 -39.136) 39.368 17.343 ( 0.000 -13.196 16.210) 20.902 17.779 ( 0.000 -18.038 -4.644) 18.626 18.154 ( 0.000 -11.815 -1.966) 11.977 18.256 ( 0.000 -8.457 -10.796) 13.714 19.064 ( 0.000 -8.828 11.497) 14.495 19.425 ( 0.000 8.311 15.450) 17.543 19.589 ( 0.000 -9.857 -15.295) 18.197 19.710 ( 0.000 -9.156 1.653) 9.304 20.360 ( 0.000 -5.611 -2.416) 6.109 20.433 ( 0.000 11.511 0.258) 11.513 20.848 ( 0.000 7.387 -20.916) 22.182 20.883 ( 0.000 5.377 -22.494) 23.127 22.314 ( 0.000 4.386 5.689) 7.183 22.649 ( 0.000 -4.093 2.659) 4.881 22.802 ( 0.000 4.350 -18.981) 19.473 22.986 ( 0.000 -5.254 -13.962) 14.918 24.469 ( 0.000 5.059 7.946) 9.420 24.736 ( 0.000 -8.441 3.567) 9.164 24.739 ( 0.000 4.406 -5.995) 7.439 24.901 ( 0.000 0.156 -4.277) 4.279 27.077 ( 0.000 -10.420 7.004) 12.556 27.280 ( 0.000 -6.044 -4.176) 7.346 27.838 ( 0.000 -28.116 13.030) 30.988 28.195 ( 0.000 -19.915 -4.152) 20.343 29.593 ( 0.000 3.489 6.734) 7.584 29.847 ( 0.000 -4.961 -5.861) 7.679 30.084 ( 0.000 3.891 6.632) 7.689 30.286 ( 0.000 10.671 -2.493) 10.958 30.722 ( 0.000 18.970 9.468) 21.201 30.956 ( 0.000 28.556 -1.581) 28.600 31.042 ( 0.000 12.212 11.831) 17.003 31.508 ( 0.000 10.882 -9.193) 14.246 32.931 ( 0.000 -5.339 12.186) 13.304 33.101 ( 0.000 0.534 5.797) 5.822 33.998 ( 0.000 -13.843 27.205) 30.525 34.433 ( 0.000 5.731 20.970) 21.739 34.963 ( 0.000 -0.034 6.783) 6.783 35.167 ( 0.000 7.790 -2.706) 8.247 35.260 ( 0.000 -11.971 -9.963) 15.575 35.939 ( 0.000 1.433 -31.544) 31.576 ======================= Grid point 281 (95/126) ======================= q-point: ( 0.20 0.09 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.196 1.739 2.201) 2.812 1.623 ( 0.021 4.439 -0.719) 4.497 2.152 ( -0.075 0.051 1.552) 1.555 2.242 ( -2.491 -0.488 -3.959) 4.703 2.700 ( 1.898 -3.456 5.396) 6.683 2.809 ( -1.085 -4.138 0.033) 4.278 5.360 ( 0.150 3.315 12.081) 12.529 5.664 ( -11.113 -3.329 0.695) 11.621 6.139 ( 12.939 6.347 18.369) 23.348 6.585 ( 9.699 -4.583 2.181) 10.947 6.708 ( -1.451 8.726 3.212) 9.411 7.010 ( -4.106 1.435 -8.801) 9.817 7.772 ( -0.780 18.573 21.130) 28.143 7.958 ( -12.164 12.573 13.454) 22.069 8.327 ( 4.166 29.980 1.102) 30.289 8.644 ( 6.316 21.020 -6.837) 22.988 8.731 ( 8.785 10.866 7.850) 16.027 9.338 ( -12.252 6.071 -21.886) 25.807 11.011 ( 5.892 -2.137 15.969) 17.155 11.271 ( 1.609 -1.788 2.928) 3.790 11.712 ( 6.929 1.480 28.790) 29.649 12.176 ( -5.591 -1.037 21.471) 22.212 12.509 ( -15.847 -12.669 -0.566) 20.297 12.914 ( -0.674 1.220 -6.599) 6.745 13.777 ( 1.141 2.410 5.072) 5.730 13.956 ( 6.051 -9.536 13.544) 17.635 14.374 ( 0.395 10.271 -3.900) 10.993 14.628 ( 7.475 7.119 4.390) 11.217 15.158 ( -4.785 -0.956 4.322) 6.518 15.427 ( -15.303 1.795 -12.260) 19.691 15.974 ( 12.460 -0.939 -31.094) 33.511 16.313 ( 1.785 4.065 -38.273) 38.530 17.406 ( 6.548 -14.120 13.924) 20.884 17.744 ( -2.952 -18.745 -2.033) 19.084 18.178 ( 1.219 -10.909 -4.649) 11.921 18.241 ( -1.452 -6.963 -9.011) 11.480 19.004 ( -4.465 -10.020 10.694) 15.320 19.348 ( -10.326 -7.155 -1.163) 12.617 19.554 ( 3.977 2.479 7.719) 9.030 19.862 ( 9.251 -2.606 -7.199) 12.008 20.293 ( -5.038 -0.686 0.828) 5.151 20.428 ( -2.012 2.388 -4.671) 5.619 20.814 ( -0.392 4.506 -18.125) 18.681 20.978 ( 6.150 10.081 -20.076) 23.292 22.333 ( 1.915 1.976 3.851) 4.734 22.586 ( -4.697 0.104 -3.426) 5.815 22.864 ( 4.431 -1.847 -11.779) 12.719 23.014 ( 2.764 -1.407 -13.678) 14.026 24.403 ( -5.765 1.891 4.751) 7.706 24.502 ( -11.621 -3.441 -1.026) 12.163 24.927 ( 8.979 2.361 1.656) 9.431 25.026 ( 9.664 1.282 -3.442) 10.338 26.949 ( -11.236 -10.348 6.599) 16.639 27.110 ( -13.825 -10.024 -2.109) 17.206 28.011 ( 13.961 -25.791 9.987) 30.981 28.270 ( 6.234 -21.844 -2.076) 22.810 29.545 ( -4.334 3.751 5.763) 8.128 29.727 ( -9.269 0.566 -2.886) 9.724 30.177 ( 6.248 4.426 5.639) 9.509 30.348 ( 6.383 9.971 -2.046) 12.014 30.706 ( -2.689 16.127 7.746) 18.092 30.833 ( -6.428 20.474 2.953) 21.662 31.152 ( 6.026 19.207 5.007) 20.744 31.448 ( -5.400 12.262 -7.380) 15.296 32.963 ( 2.894 -6.478 12.789) 14.625 33.146 ( 3.963 -0.184 5.680) 6.928 34.019 ( 2.318 -11.522 26.815) 29.278 34.412 ( -2.308 5.288 23.077) 23.788 34.975 ( 1.384 -1.820 3.252) 3.976 35.127 ( -2.486 -0.078 -2.768) 3.722 35.346 ( 7.195 -3.399 -10.527) 13.196 35.887 ( -5.351 1.703 -30.533) 31.045 ======================= Grid point 282 (96/126) ======================= q-point: ( 0.40 0.09 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 0.133 2.034 2.126) 2.945 1.623 ( 0.013 4.583 -0.659) 4.630 2.159 ( 0.978 0.182 0.644) 1.185 2.192 ( -2.547 0.014 -1.345) 2.880 2.740 ( 2.169 -3.658 2.998) 5.204 2.782 ( -1.701 -3.747 1.032) 4.242 5.388 ( 2.912 -1.094 7.592) 8.204 5.498 ( -6.667 -3.251 1.610) 7.590 6.372 ( 11.790 10.551 22.353) 27.386 6.581 ( -8.230 8.133 15.916) 19.678 6.763 ( 4.034 -0.096 -1.149) 4.196 6.983 ( 0.971 2.496 -3.658) 4.533 7.715 ( -3.103 17.296 11.873) 21.207 7.782 ( -5.717 18.220 6.629) 20.214 8.529 ( 15.880 21.502 -4.384) 27.087 8.747 ( 2.619 20.195 -7.016) 21.538 8.821 ( -0.508 4.239 2.518) 4.956 9.050 ( -14.446 11.449 -9.814) 20.883 11.168 ( 8.998 -1.449 18.974) 21.050 11.291 ( -0.925 -0.633 13.129) 13.176 11.813 ( 3.290 -6.460 14.798) 16.479 12.065 ( -5.602 -3.044 2.695) 6.922 12.288 ( -5.725 -8.242 18.246) 20.823 12.839 ( -4.440 9.503 3.625) 11.098 13.852 ( 6.010 0.473 -4.763) 7.683 13.969 ( -4.148 -1.250 -3.728) 5.715 14.476 ( 7.670 0.862 10.187) 12.781 14.742 ( 3.393 5.512 1.220) 6.587 15.065 ( -3.737 -0.517 1.903) 4.225 15.181 ( -9.282 3.359 2.588) 10.205 16.149 ( 5.574 -1.202 -37.629) 38.058 16.333 ( 0.297 3.781 -35.869) 36.069 17.550 ( 7.318 -18.260 9.056) 21.656 17.690 ( -2.905 -17.795 2.430) 18.194 18.171 ( -1.145 -6.740 -6.769) 9.620 18.208 ( -1.809 -6.841 -6.426) 9.558 18.973 ( 1.521 -12.570 6.905) 14.422 19.157 ( -8.299 -11.023 -1.067) 13.839 19.645 ( 3.805 4.112 6.147) 8.317 19.970 ( 1.763 11.260 -5.261) 12.553 20.254 ( 2.507 -5.967 -1.441) 6.630 20.350 ( -5.903 -4.427 -6.942) 10.131 20.827 ( 0.927 4.644 -12.636) 13.494 21.066 ( 2.726 12.839 -18.098) 22.356 22.372 ( 1.835 -2.487 0.078) 3.092 22.512 ( -2.837 2.057 -5.705) 6.695 22.933 ( 2.593 -3.166 -7.545) 8.583 23.059 ( 1.337 1.469 -12.527) 12.684 24.313 ( -2.669 -0.910 1.753) 3.320 24.342 ( -5.199 -4.321 -0.367) 6.770 25.083 ( 6.975 5.644 2.663) 9.360 25.144 ( 1.896 3.899 -0.552) 4.370 26.781 ( -4.829 -13.223 4.881) 14.899 26.885 ( -8.293 -10.459 -0.886) 13.378 28.244 ( 9.598 -26.758 7.121) 29.305 28.347 ( 0.575 -25.176 2.091) 25.269 29.476 ( -2.194 4.976 3.985) 6.742 29.582 ( -5.070 6.514 -1.311) 8.357 30.259 ( 2.445 7.866 8.835) 12.079 30.479 ( 5.707 11.478 -2.027) 12.978 30.630 ( -3.356 13.102 5.120) 14.461 30.759 ( -2.568 14.514 -0.486) 14.747 31.227 ( 1.962 16.665 2.770) 17.007 31.361 ( -2.919 17.713 -3.755) 18.340 33.010 ( 1.630 -8.540 13.708) 16.233 33.208 ( 2.008 -1.239 5.760) 6.224 34.072 ( 2.507 -6.782 25.774) 26.769 34.359 ( -2.593 3.560 26.598) 26.960 35.013 ( 2.240 -5.571 -4.614) 7.572 35.087 ( -1.846 -1.393 1.863) 2.969 35.488 ( 6.890 -0.314 -14.424) 15.989 35.765 ( -6.505 2.603 -28.219) 29.076 ======================= Grid point 285 (97/126) ======================= q-point: ( 0.00 0.18 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.000 3.804 2.833) 4.743 1.729 ( 0.000 5.683 -2.436) 6.183 2.153 ( 0.000 -0.041 1.424) 1.425 2.250 ( 0.000 -0.932 -4.398) 4.495 2.593 ( 0.000 -4.844 5.426) 7.274 2.706 ( 0.000 -6.289 -0.455) 6.305 5.559 ( 0.000 12.652 12.102) 17.508 5.795 ( 0.000 -6.122 11.806) 13.299 6.018 ( 0.000 8.550 -11.548) 14.369 6.248 ( 0.000 -13.060 -4.583) 13.841 6.923 ( 0.000 12.454 11.885) 17.215 7.323 ( 0.000 22.262 -3.266) 22.501 8.134 ( 0.000 12.885 25.094) 28.208 8.622 ( 0.000 36.977 16.288) 40.405 8.834 ( 0.000 26.228 7.898) 27.392 9.111 ( 0.000 24.208 0.022) 24.208 9.140 ( 0.000 31.330 -2.556) 31.434 9.623 ( 0.000 13.194 -18.962) 23.100 10.854 ( 0.000 -7.760 16.445) 18.184 11.170 ( 0.000 -5.835 0.309) 5.843 11.775 ( 0.000 8.903 27.240) 28.658 12.183 ( 0.000 -1.140 14.742) 14.786 12.654 ( 0.000 -3.533 -8.492) 9.198 12.696 ( 0.000 -2.804 -17.792) 18.012 13.545 ( 0.000 -13.165 29.498) 32.302 13.926 ( 0.000 5.934 22.363) 23.137 14.564 ( 0.000 -3.759 -0.383) 3.778 14.755 ( 0.000 14.820 -6.419) 16.150 15.208 ( 0.000 2.582 4.302) 5.017 15.569 ( 0.000 -5.493 -13.070) 14.178 15.887 ( 0.000 8.534 -19.791) 21.552 16.384 ( 0.000 4.171 -35.689) 35.932 16.994 ( 0.000 -19.109 10.983) 22.041 17.387 ( 0.000 -18.163 -9.036) 20.287 17.846 ( 0.000 -17.267 -0.040) 17.267 18.020 ( 0.000 -13.794 -12.004) 18.285 18.836 ( 0.000 -13.279 4.753) 14.104 19.349 ( 0.000 -13.094 -16.955) 21.422 19.358 ( 0.000 -17.098 1.722) 17.185 19.537 ( 0.000 -8.455 -3.438) 9.127 20.328 ( 0.000 4.593 8.959) 10.068 20.666 ( 0.000 9.866 0.186) 9.867 20.974 ( 0.000 2.989 -18.113) 18.358 21.019 ( 0.000 8.372 -15.677) 17.772 22.449 ( 0.000 8.558 6.549) 10.776 22.536 ( 0.000 -6.417 2.131) 6.762 22.858 ( 0.000 -6.656 -12.890) 14.507 22.922 ( 0.000 7.019 -16.614) 18.036 24.521 ( 0.000 -12.325 8.531) 14.989 24.609 ( 0.000 8.372 6.864) 10.826 24.865 ( 0.000 7.744 -5.016) 9.227 24.877 ( 0.000 -2.607 -8.890) 9.265 26.800 ( 0.000 -14.912 10.425) 18.194 27.160 ( 0.000 -5.210 -9.040) 10.434 27.219 ( 0.000 -30.444 13.664) 33.370 27.685 ( 0.000 -27.669 -8.729) 29.013 29.614 ( 0.000 -0.829 3.991) 4.076 29.784 ( 0.000 -1.817 -4.100) 4.484 30.234 ( 0.000 9.908 8.211) 12.868 30.513 ( 0.000 10.832 -3.212) 11.298 31.195 ( 0.000 24.581 15.432) 29.024 31.348 ( 0.000 16.844 10.847) 20.034 31.584 ( 0.000 31.166 -2.332) 31.253 31.817 ( 0.000 18.186 -9.464) 20.501 32.800 ( 0.000 -6.956 12.658) 14.443 33.119 ( 0.000 1.612 0.616) 1.726 33.688 ( 0.000 -16.357 25.673) 30.441 34.403 ( 0.000 -10.581 4.034) 11.324 34.991 ( 0.000 2.506 10.924) 11.208 35.075 ( 0.000 -3.065 5.332) 6.150 35.345 ( 0.000 9.143 -4.859) 10.354 35.941 ( 0.000 -1.200 -26.129) 26.157 ======================= Grid point 286 (98/126) ======================= q-point: ( 0.20 0.18 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 0.571 3.979 2.693) 4.838 1.731 ( 0.191 5.757 -2.388) 6.235 2.154 ( 0.155 0.090 1.192) 1.205 2.231 ( -1.846 -0.590 -3.306) 3.832 2.610 ( 1.704 -4.973 4.391) 6.849 2.700 ( -0.701 -6.120 -0.107) 6.161 5.469 ( -5.765 6.564 8.085) 11.903 5.638 ( -10.874 1.179 -0.000) 10.938 6.224 ( 16.749 1.290 5.211) 17.588 6.479 ( 18.163 -5.051 -0.449) 18.857 6.909 ( -0.844 12.232 9.646) 15.601 7.218 ( -9.440 19.133 -1.133) 21.365 8.138 ( -0.548 17.113 20.786) 26.930 8.501 ( -9.710 33.651 12.543) 37.202 8.928 ( 1.548 22.601 8.023) 24.032 9.030 ( 2.239 25.109 -2.051) 25.292 9.209 ( 2.357 29.774 -1.580) 29.909 9.570 ( -5.416 17.232 -12.835) 22.158 10.933 ( 8.318 -5.853 14.133) 17.412 11.193 ( 2.459 -5.981 1.303) 6.597 11.754 ( -2.930 2.876 20.571) 20.977 12.147 ( -8.280 -2.305 7.106) 11.152 12.345 ( -10.775 -0.164 4.747) 11.776 12.917 ( 6.995 -0.934 -11.732) 13.691 13.646 ( 8.895 -10.280 24.082) 27.653 13.918 ( 0.343 3.248 18.111) 18.403 14.591 ( 1.906 3.622 -0.659) 4.146 14.762 ( 2.064 8.878 -3.014) 9.600 15.147 ( -5.781 0.643 4.791) 7.536 15.449 ( -11.260 0.305 -8.122) 13.887 16.014 ( 11.110 5.147 -24.587) 27.467 16.398 ( 0.864 3.862 -34.429) 34.655 17.034 ( 3.918 -20.290 9.164) 22.605 17.356 ( -2.486 -17.380 -6.537) 18.734 17.866 ( 1.203 -18.346 -2.494) 18.554 18.029 ( 0.829 -13.007 -11.847) 17.613 18.765 ( -5.979 -13.513 4.087) 15.331 19.079 ( -13.586 -16.212 -5.645) 21.892 19.574 ( 6.413 -7.709 -2.327) 10.294 19.669 ( 14.650 -13.429 -8.825) 21.745 20.243 ( -7.359 -0.041 3.133) 7.998 20.594 ( -9.408 9.529 -6.009) 14.677 20.935 ( 3.390 6.560 -8.321) 11.125 21.188 ( 9.915 9.472 -13.696) 19.380 22.364 ( -4.918 -0.328 3.670) 6.145 22.609 ( 0.874 3.242 -1.849) 3.833 22.791 ( 0.934 -4.714 -8.924) 10.135 23.033 ( 6.123 3.663 -13.502) 15.271 24.335 ( -12.761 -9.387 6.534) 17.136 24.511 ( -8.221 5.446 -0.540) 9.876 25.012 ( 10.337 3.096 -0.713) 10.814 25.044 ( 13.921 2.492 -3.438) 14.554 26.664 ( -12.654 -15.924 8.650) 22.103 26.873 ( -15.980 -12.794 -1.508) 20.526 27.479 ( 13.574 -23.704 5.169) 27.801 27.747 ( 4.989 -26.875 -5.877) 27.959 29.594 ( -1.854 0.759 3.696) 4.204 29.736 ( -4.075 -0.145 -2.928) 5.020 30.296 ( 5.282 8.011 7.413) 12.125 30.526 ( 1.120 8.402 -1.592) 8.625 31.179 ( -1.621 25.871 12.261) 28.675 31.287 ( -4.068 21.429 7.977) 23.225 31.629 ( 1.469 25.733 -0.124) 25.776 31.791 ( -1.046 20.546 -7.713) 21.971 32.816 ( 1.218 -7.440 13.285) 15.275 33.118 ( 0.072 -2.288 2.259) 3.216 33.770 ( 8.087 -12.782 22.369) 27.003 34.367 ( -4.017 -11.330 7.023) 13.922 34.957 ( -2.469 1.193 5.994) 6.591 35.083 ( 0.622 0.045 8.326) 8.350 35.416 ( 6.723 7.065 -6.487) 11.713 35.895 ( -4.751 -0.832 -25.264) 25.720 ======================= Grid point 287 (99/126) ======================= q-point: ( 0.40 0.18 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.364 4.248 2.455) 4.920 1.734 ( 0.122 5.874 -2.308) 6.312 2.163 ( 0.908 0.201 0.348) 0.993 2.193 ( -1.919 0.082 -1.309) 2.324 2.646 ( 1.911 -5.218 2.519) 6.101 2.680 ( -1.356 -5.827 0.893) 6.049 5.415 ( 0.146 3.657 3.709) 5.211 5.480 ( -5.852 2.202 -0.119) 6.253 6.499 ( 10.234 -1.268 11.916) 15.759 6.707 ( 3.409 8.668 9.009) 12.958 6.956 ( 6.034 10.462 4.555) 12.908 7.058 ( -5.869 12.139 0.326) 13.488 8.116 ( -0.491 19.452 14.845) 24.474 8.306 ( -9.273 27.566 6.698) 29.845 8.947 ( 3.556 17.462 4.207) 18.310 9.064 ( -2.927 24.874 1.222) 25.075 9.283 ( 5.886 29.622 -2.826) 30.333 9.456 ( -5.726 25.815 -5.752) 27.061 11.119 ( 9.654 -4.132 10.915) 15.146 11.237 ( 0.597 -5.819 5.456) 7.999 11.687 ( -2.088 -4.057 9.874) 10.877 11.876 ( -13.145 -8.304 -1.599) 15.630 12.335 ( 2.662 7.765 21.523) 23.035 12.957 ( -0.703 1.606 -0.840) 1.944 13.784 ( 4.670 -5.466 15.062) 16.690 13.947 ( 1.349 -0.086 7.398) 7.521 14.642 ( 3.966 11.931 4.966) 13.518 14.827 ( 2.568 2.335 0.461) 3.501 15.043 ( -3.297 -1.530 0.057) 3.635 15.228 ( -10.040 1.770 1.135) 10.257 16.205 ( 7.428 6.860 -31.130) 32.731 16.394 ( -1.252 2.062 -30.937) 31.031 17.104 ( 2.490 -22.681 6.231) 23.652 17.327 ( -0.459 -16.699 -3.566) 17.082 17.883 ( 1.056 -19.298 -4.688) 19.887 18.022 ( -1.763 -11.485 -11.715) 16.500 18.701 ( 0.310 -14.453 2.184) 14.620 18.869 ( -8.319 -16.156 -2.674) 18.368 19.678 ( 4.147 -5.166 1.539) 6.801 19.914 ( 9.154 -14.229 -10.866) 20.108 20.129 ( -2.779 -4.825 -3.659) 6.663 20.386 ( -10.312 6.942 -11.900) 17.209 21.017 ( 3.259 12.318 0.888) 12.773 21.328 ( 4.374 11.604 -11.727) 17.068 22.305 ( -1.372 -4.023 1.456) 4.493 22.553 ( -3.307 0.933 -10.413) 10.965 22.896 ( 5.946 0.692 -0.925) 6.057 23.096 ( 0.589 2.923 -9.958) 10.395 24.157 ( -5.342 -10.470 5.742) 13.081 24.386 ( -4.162 5.135 -4.584) 8.044 25.171 ( 5.450 1.733 2.511) 6.246 25.264 ( 7.709 7.282 -1.526) 10.714 26.440 ( -8.455 -18.225 7.096) 21.307 26.645 ( -7.295 -11.603 -3.485) 14.142 27.672 ( 6.409 -27.512 4.682) 28.634 27.811 ( 1.333 -25.153 -1.975) 25.265 29.564 ( -0.988 2.919 3.192) 4.436 29.673 ( -2.081 1.867 -2.050) 3.467 30.376 ( 2.507 6.447 8.161) 10.698 30.543 ( 0.546 3.891 0.537) 3.965 31.167 ( 1.115 28.198 6.129) 28.878 31.223 ( -3.233 25.325 4.901) 25.997 31.607 ( -1.789 20.173 2.842) 20.451 31.804 ( 1.132 24.511 -5.538) 25.155 32.831 ( 0.409 -8.481 14.413) 16.728 33.123 ( 0.261 -6.494 3.783) 7.520 33.935 ( 7.692 -7.184 16.675) 19.719 34.266 ( -5.574 -13.620 13.523) 19.986 34.928 ( -0.644 0.367 1.114) 1.338 35.092 ( 0.272 1.812 10.000) 10.167 35.553 ( 6.803 5.308 -9.134) 12.566 35.784 ( -6.072 -0.257 -23.919) 24.679 ======================= Grid point 290 (100/126) ======================= q-point: ( 0.00 0.27 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.000 4.804 1.873) 5.156 1.841 ( 0.000 4.943 -4.141) 6.448 2.152 ( 0.000 -0.014 1.158) 1.158 2.234 ( 0.000 -0.586 -3.413) 3.463 2.494 ( 0.000 -4.611 4.117) 6.181 2.578 ( 0.000 -5.954 -0.372) 5.966 5.643 ( 0.000 -7.957 4.272) 9.031 5.862 ( 0.000 16.067 10.634) 19.267 5.976 ( 0.000 -12.887 -7.602) 14.962 6.258 ( 0.000 14.400 -9.285) 17.134 7.255 ( 0.000 19.601 18.524) 26.969 7.845 ( 0.000 27.192 -6.857) 28.043 8.430 ( 0.000 15.992 25.211) 29.855 9.233 ( 0.000 17.357 -2.648) 17.558 9.322 ( 0.000 19.327 11.307) 22.391 9.616 ( 0.000 26.163 11.929) 28.754 9.662 ( 0.000 15.061 -2.069) 15.202 10.033 ( 0.000 27.307 -4.046) 27.605 10.701 ( 0.000 -4.374 16.457) 17.028 11.059 ( 0.000 -3.454 -2.393) 4.202 11.923 ( 0.000 2.581 17.746) 17.933 12.227 ( 0.000 6.117 9.765) 11.523 12.682 ( 0.000 3.975 -16.565) 17.035 12.714 ( 0.000 8.802 -12.510) 15.296 13.369 ( 0.000 -3.402 28.751) 28.951 14.046 ( 0.000 5.585 31.009) 31.507 14.386 ( 0.000 -12.454 -2.987) 12.808 14.904 ( 0.000 0.131 -5.979) 5.980 15.355 ( 0.000 10.234 9.520) 13.978 15.419 ( 0.000 -10.499 3.592) 11.097 16.103 ( 0.000 12.737 -15.405) 19.989 16.425 ( 0.000 -0.823 -22.149) 22.164 16.654 ( 0.000 -12.616 2.105) 12.790 17.117 ( 0.000 -6.388 -24.417) 25.239 17.486 ( 0.000 -17.280 -1.792) 17.372 17.737 ( 0.000 -12.787 -15.954) 20.446 18.529 ( 0.000 -16.592 1.391) 16.651 18.904 ( 0.000 -25.920 1.941) 25.993 19.071 ( 0.000 -13.761 -18.852) 23.340 19.229 ( 0.000 -20.381 -14.928) 25.264 20.504 ( 0.000 10.347 11.030) 15.123 20.814 ( 0.000 4.819 2.721) 5.534 21.003 ( 0.000 0.034 -12.553) 12.553 21.157 ( 0.000 4.540 -11.768) 12.614 22.415 ( 0.000 -4.939 0.872) 5.015 22.638 ( 0.000 9.319 7.803) 12.154 22.729 ( 0.000 -5.785 -13.049) 14.274 23.072 ( 0.000 7.163 -12.715) 14.594 24.256 ( 0.000 -13.012 13.242) 18.565 24.786 ( 0.000 -6.283 -13.070) 14.502 24.801 ( 0.000 10.143 6.253) 11.916 25.044 ( 0.000 9.564 -3.547) 10.201 26.533 ( 0.000 -10.375 13.696) 17.182 26.645 ( 0.000 -25.238 11.167) 27.598 27.080 ( 0.000 -2.544 -14.945) 15.160 27.128 ( 0.000 -26.103 -11.244) 28.422 29.586 ( 0.000 -1.531 3.440) 3.765 29.752 ( 0.000 -1.558 -4.511) 4.772 30.450 ( 0.000 10.454 8.171) 13.269 30.717 ( 0.000 9.157 -1.690) 9.312 31.642 ( 0.000 18.019 19.490) 26.543 31.693 ( 0.000 16.048 10.946) 19.426 32.177 ( 0.000 26.000 -0.592) 26.007 32.194 ( 0.000 17.527 -8.971) 19.690 32.666 ( 0.000 -5.751 11.819) 13.144 33.182 ( 0.000 4.673 -5.086) 6.907 33.348 ( 0.000 -16.148 21.512) 26.898 34.064 ( 0.000 -19.628 -7.899) 21.158 35.052 ( 0.000 3.164 14.807) 15.142 35.111 ( 0.000 4.331 15.853) 16.434 35.522 ( 0.000 7.899 -6.607) 10.298 35.903 ( 0.000 -2.123 -19.428) 19.543 ======================= Grid point 291 (101/126) ======================= q-point: ( 0.20 0.27 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 0.730 4.794 1.735) 5.150 1.843 ( 0.253 4.934 -4.046) 6.386 2.156 ( 0.377 0.105 0.888) 0.970 2.221 ( -1.241 -0.328 -2.669) 2.961 2.508 ( 1.338 -4.848 3.444) 6.096 2.575 ( -0.398 -5.807 -0.027) 5.821 5.556 ( -5.150 0.951 3.015) 6.043 5.712 ( -8.898 4.563 -1.529) 10.116 6.226 ( 16.598 -0.007 3.049) 16.876 6.436 ( 16.049 2.670 -3.590) 16.661 7.254 ( 0.306 20.841 16.536) 26.606 7.687 ( -13.328 25.045 -0.772) 28.381 8.504 ( 3.736 18.444 16.921) 25.308 8.961 ( -18.318 10.469 0.765) 21.112 9.408 ( 0.342 25.590 15.774) 30.063 9.613 ( 8.351 23.037 6.113) 25.255 9.778 ( 2.878 23.902 -2.121) 24.168 10.002 ( -2.175 25.729 -1.429) 25.860 10.788 ( 8.453 -6.721 11.306) 15.635 11.052 ( -0.609 -6.757 -1.487) 6.945 11.834 ( -7.816 3.826 9.109) 12.598 12.145 ( -12.336 4.291 -0.208) 13.062 12.484 ( -3.211 11.618 8.302) 14.636 12.887 ( 5.209 -0.506 -6.254) 8.155 13.532 ( 14.079 -0.062 19.047) 23.686 13.987 ( -3.657 3.338 20.339) 20.933 14.492 ( 9.151 -10.195 3.684) 14.186 14.877 ( -1.993 -0.812 -2.055) 2.976 15.235 ( -7.891 6.463 9.576) 13.990 15.450 ( -2.870 0.284 1.865) 3.434 16.150 ( 6.244 6.935 -15.037) 17.697 16.459 ( 2.780 1.986 -22.760) 23.015 16.676 ( 2.333 -12.573 1.857) 12.922 17.099 ( -1.823 -6.161 -21.132) 22.087 17.475 ( -1.145 -19.018 -3.594) 19.388 17.751 ( 1.139 -13.128 -17.497) 21.904 18.451 ( -6.589 -17.200 0.041) 18.419 18.711 ( -12.367 -19.712 -4.385) 23.679 19.239 ( 9.511 -20.326 -10.224) 24.661 19.348 ( 11.594 -19.293 -14.300) 26.667 20.318 ( -13.283 5.609 6.402) 15.776 20.729 ( -13.736 3.324 -11.069) 17.951 21.068 ( 12.512 6.238 1.793) 14.095 21.337 ( 11.756 4.944 -8.698) 15.437 22.317 ( -6.948 -3.135 1.516) 7.772 22.637 ( -7.549 -4.239 -13.532) 16.064 22.782 ( 11.489 6.710 6.356) 14.745 23.144 ( 5.325 6.403 -10.703) 13.562 24.122 ( -11.377 -10.614 12.279) 19.820 24.601 ( -9.319 1.180 -9.004) 13.012 25.031 ( 12.559 2.266 1.647) 12.868 25.153 ( 10.598 6.063 -1.351) 12.284 26.364 ( -14.254 -12.597 10.025) 21.503 26.579 ( -7.523 -15.758 2.406) 17.626 27.092 ( 4.050 -15.628 -5.449) 17.039 27.255 ( 8.092 -18.586 -9.155) 22.243 29.586 ( 0.048 -1.066 2.855) 3.048 29.720 ( -2.846 -1.248 -3.390) 4.599 30.485 ( 3.244 9.642 7.333) 12.541 30.700 ( -1.788 8.416 -0.289) 8.608 31.647 ( 0.464 18.256 16.282) 24.466 31.683 ( -0.540 17.566 11.146) 20.811 32.110 ( -4.773 20.273 -1.444) 20.877 32.257 ( 4.117 23.471 -6.509) 24.703 32.675 ( 0.660 -5.915 12.177) 13.554 33.061 ( -7.094 -3.277 3.232) 8.456 33.520 ( 12.567 -10.710 11.423) 20.078 34.031 ( -3.686 -18.593 -5.415) 19.713 35.026 ( -1.941 4.297 13.590) 14.385 35.129 ( 1.263 3.501 15.527) 15.967 35.563 ( 4.151 6.737 -7.507) 10.907 35.869 ( -3.613 -1.395 -18.452) 18.854 ======================= Grid point 292 (102/126) ======================= q-point: ( 0.40 0.27 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.447 4.764 1.509) 5.017 1.848 ( 0.152 4.907 -3.890) 6.264 2.167 ( 0.771 0.225 0.131) 0.813 2.196 ( -1.259 0.161 -1.307) 1.822 2.536 ( 1.403 -5.480 2.218) 6.076 2.563 ( -0.890 -5.310 0.822) 5.447 5.518 ( 0.995 5.932 0.508) 6.036 5.579 ( -5.357 6.649 -2.114) 8.796 6.443 ( 5.792 -2.794 8.561) 10.707 6.742 ( 12.802 -4.049 -2.467) 13.652 7.286 ( 3.313 22.802 11.962) 25.962 7.455 ( -10.121 22.449 5.431) 25.216 8.459 ( -6.740 14.942 13.983) 21.545 8.725 ( -4.910 14.367 -0.519) 15.192 9.453 ( 3.981 30.642 18.504) 36.016 9.706 ( -3.039 28.320 3.808) 28.736 9.829 ( 8.103 23.453 -0.539) 24.819 9.957 ( -4.096 24.061 -1.416) 24.448 10.954 ( 7.741 -12.266 4.053) 15.061 11.036 ( -1.653 -12.754 0.396) 12.867 11.711 ( -3.811 5.446 2.368) 7.056 11.886 ( -10.539 10.225 -5.443) 15.660 12.522 ( 3.310 9.886 23.011) 25.262 12.909 ( -1.242 -4.384 6.797) 8.183 13.755 ( 7.496 3.507 9.949) 12.941 13.956 ( -0.299 1.301 6.876) 7.005 14.664 ( 7.949 -10.738 7.769) 15.455 14.848 ( -1.838 -3.162 6.596) 7.542 15.128 ( -2.066 11.947 7.146) 14.074 15.311 ( -8.803 6.459 2.839) 11.282 16.302 ( 7.287 -2.799 -17.804) 19.440 16.487 ( -0.187 9.965 -21.844) 24.010 16.726 ( 2.168 -12.061 -0.170) 12.256 17.060 ( -1.730 -7.982 -14.158) 16.345 17.457 ( -0.440 -21.089 -7.065) 22.246 17.757 ( -0.604 -13.620 -19.868) 24.096 18.369 ( -1.172 -18.331 -1.697) 18.447 18.523 ( -6.984 -17.226 -3.804) 18.973 19.387 ( 5.671 -20.239 -5.534) 21.734 19.534 ( 5.906 -21.811 -13.910) 26.535 20.135 ( -4.953 3.553 1.486) 6.274 20.490 ( -9.298 2.610 -14.159) 17.139 21.261 ( 6.287 10.498 4.895) 13.179 21.508 ( 5.463 5.828 -6.320) 10.186 22.220 ( -2.813 -3.780 0.442) 4.732 22.510 ( -4.650 -4.880 -13.907) 15.455 22.995 ( 9.746 8.239 4.681) 13.594 23.190 ( -1.217 5.983 -5.618) 8.297 23.945 ( -5.785 -9.632 10.929) 15.675 24.467 ( -4.315 0.821 -12.713) 13.450 25.198 ( 4.958 2.332 6.728) 8.677 25.374 ( 9.958 3.126 -1.211) 10.507 26.107 ( -10.690 -13.441 8.237) 19.047 26.445 ( -4.904 -8.231 -6.983) 11.856 27.169 ( 2.821 -20.649 1.344) 20.884 27.364 ( 3.161 -18.155 -6.347) 19.491 29.590 ( 0.281 -0.029 1.798) 1.820 29.672 ( -1.740 -1.264 -1.891) 2.864 30.542 ( 2.230 8.966 6.581) 11.343 30.662 ( -1.766 6.930 1.615) 7.332 31.658 ( 0.575 18.142 12.328) 21.942 31.682 ( 0.229 19.713 9.821) 22.025 32.031 ( -2.850 20.427 2.228) 20.745 32.317 ( 1.882 24.580 -7.162) 25.671 32.680 ( -0.107 -6.116 13.109) 14.466 32.976 ( -2.131 -6.978 3.872) 8.260 33.746 ( 11.374 -12.636 6.206) 18.098 33.925 ( -7.809 -15.512 0.238) 17.368 34.999 ( -0.756 4.934 11.576) 12.607 35.146 ( 0.473 3.056 15.080) 15.394 35.661 ( 5.931 4.513 -9.725) 12.253 35.779 ( -5.697 0.316 -16.266) 17.238 ======================= Grid point 295 (103/126) ======================= q-point: ( 0.00 0.36 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.000 4.490 -0.363) 4.505 1.918 ( 0.000 2.451 -5.486) 6.009 2.152 ( 0.000 -0.002 1.089) 1.089 2.226 ( 0.000 -0.197 -2.776) 2.782 2.413 ( 0.000 -3.125 3.562) 4.739 2.472 ( 0.000 -4.326 0.296) 4.336 5.499 ( 0.000 -5.692 1.328) 5.844 5.741 ( 0.000 -9.753 -8.386) 12.862 6.164 ( 0.000 12.432 11.046) 16.631 6.573 ( 0.000 15.221 -9.099) 17.734 7.686 ( 0.000 21.425 20.756) 29.830 8.389 ( 0.000 25.414 -11.030) 27.704 8.755 ( 0.000 15.111 21.313) 26.126 9.421 ( 0.000 3.190 -9.283) 9.816 9.535 ( 0.000 0.577 7.358) 7.380 9.672 ( 0.000 -10.396 3.066) 10.838 10.043 ( 0.000 16.193 27.443) 31.864 10.638 ( 0.000 25.370 -1.601) 25.421 10.722 ( 0.000 3.922 13.834) 14.380 11.087 ( 0.000 5.792 -3.090) 6.565 11.876 ( 0.000 -2.235 17.775) 17.915 12.441 ( 0.000 14.373 10.919) 18.050 12.845 ( 0.000 6.646 -26.070) 26.904 12.954 ( 0.000 12.367 -10.847) 16.450 13.393 ( 0.000 4.980 23.532) 24.053 14.143 ( 0.000 -8.622 -0.886) 8.667 14.150 ( 0.000 5.069 25.423) 25.923 14.822 ( 0.000 -7.603 -6.184) 9.800 15.137 ( 0.000 -15.598 19.820) 25.222 15.536 ( 0.000 6.642 20.827) 21.860 16.307 ( 0.000 -10.946 -10.260) 15.003 16.394 ( 0.000 15.086 -6.959) 16.614 16.572 ( 0.000 6.505 -3.110) 7.211 17.133 ( 0.000 5.471 -36.957) 37.359 17.168 ( 0.000 -13.265 -6.967) 14.983 17.540 ( 0.000 -6.093 -24.354) 25.105 18.176 ( 0.000 -17.168 2.445) 17.341 18.355 ( 0.000 -25.775 0.523) 25.780 18.763 ( 0.000 -24.217 -20.742) 31.886 18.805 ( 0.000 -11.816 -20.625) 23.770 20.695 ( 0.000 7.841 6.398) 10.121 20.883 ( 0.000 2.465 5.287) 5.833 20.986 ( 0.000 -1.392 -7.787) 7.910 21.196 ( 0.000 -0.436 -7.811) 7.823 22.342 ( 0.000 -2.340 -0.720) 2.448 22.628 ( 0.000 -3.924 -13.193) 13.764 22.811 ( 0.000 7.330 9.867) 12.291 23.193 ( 0.000 4.295 -7.943) 9.030 24.019 ( 0.000 -9.493 14.719) 17.514 24.635 ( 0.000 -7.736 -16.068) 17.833 25.007 ( 0.000 9.431 7.453) 12.021 25.256 ( 0.000 11.424 -2.620) 11.721 26.197 ( 0.000 -18.869 6.166) 19.851 26.386 ( 0.000 -4.284 15.343) 15.930 26.647 ( 0.000 -20.306 -12.774) 23.990 27.052 ( 0.000 -0.382 -18.913) 18.916 29.560 ( 0.000 -1.023 3.085) 3.250 29.721 ( 0.000 -1.351 -4.946) 5.127 30.637 ( 0.000 7.537 8.237) 11.165 30.886 ( 0.000 7.181 -0.060) 7.181 31.913 ( 0.000 8.752 20.709) 22.482 31.970 ( 0.000 10.534 11.342) 15.479 32.476 ( 0.000 8.361 -2.429) 8.707 32.524 ( 0.000 0.377 22.858) 22.862 32.670 ( 0.000 13.372 -10.888) 17.244 33.087 ( 0.000 -7.230 11.025) 13.184 33.299 ( 0.000 6.070 -7.930) 9.986 33.681 ( 0.000 -16.983 -10.459) 19.946 35.110 ( 0.000 2.347 17.661) 17.816 35.198 ( 0.000 3.665 17.673) 18.049 35.657 ( 0.000 5.146 -7.800) 9.345 35.864 ( 0.000 -1.513 -13.656) 13.740 ======================= Grid point 296 (104/126) ======================= q-point: ( 0.20 0.36 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.580 4.374 -0.426) 4.433 1.920 ( 0.173 2.396 -5.336) 5.852 2.158 ( 0.603 0.118 0.745) 0.966 2.217 ( -0.851 -0.042 -2.313) 2.464 2.421 ( 0.801 -3.373 3.256) 4.756 2.472 ( -0.059 -4.188 0.529) 4.222 5.544 ( 4.555 -1.050 0.722) 4.730 5.731 ( -0.677 -2.753 -6.570) 7.156 6.267 ( 9.143 3.835 8.941) 13.350 6.581 ( 1.132 9.599 -5.879) 11.313 7.705 ( 2.050 21.752 18.154) 28.406 8.192 ( -15.469 23.475 -1.051) 28.133 8.875 ( 6.864 17.232 9.513) 20.846 9.095 ( -20.571 4.596 2.441) 21.219 9.663 ( 10.030 -1.927 7.163) 12.475 9.857 ( 11.127 -1.838 5.534) 12.562 10.108 ( 5.870 15.310 16.694) 23.400 10.611 ( -2.300 19.414 2.955) 19.772 10.750 ( 1.763 9.231 5.449) 10.864 10.973 ( -10.917 0.349 -3.165) 11.372 11.841 ( -3.591 -1.450 14.267) 14.783 12.347 ( -8.794 13.066 0.488) 15.758 12.749 ( -5.093 12.476 1.870) 13.604 12.948 ( -1.182 5.291 -3.965) 6.717 13.611 ( 17.380 6.395 8.614) 20.424 14.062 ( -2.772 3.884 2.265) 5.282 14.282 ( 7.939 -6.992 16.120) 19.282 14.767 ( -4.147 -8.820 1.982) 9.946 15.216 ( 6.027 -8.246 16.642) 19.526 15.516 ( -2.008 5.005 18.020) 18.809 16.262 ( -5.075 0.077 -10.184) 11.378 16.425 ( 6.162 0.501 -4.289) 7.524 16.639 ( 4.480 7.268 -3.106) 9.085 17.095 ( -4.560 -4.980 -15.888) 17.264 17.167 ( 0.560 -0.859 -27.180) 27.199 17.530 ( -1.067 -8.018 -25.850) 27.086 18.065 ( -8.431 -20.501 -1.506) 22.218 18.302 ( -5.959 -18.670 -3.772) 19.957 18.823 ( 7.401 -20.215 -15.100) 26.295 18.929 ( 9.245 -19.426 -18.508) 28.379 20.431 ( -15.964 5.186 5.759) 17.746 20.743 ( -15.768 -1.343 -8.695) 18.056 21.175 ( 17.122 4.036 3.852) 18.008 21.393 ( 12.970 0.860 -5.434) 14.089 22.268 ( -6.385 -1.472 -0.852) 6.608 22.534 ( -8.151 -4.681 -12.050) 15.283 22.936 ( 11.086 6.796 8.310) 15.432 23.262 ( 5.798 4.640 -6.524) 9.885 23.934 ( -7.981 -7.198 13.485) 17.244 24.527 ( -9.202 -6.994 -14.208) 18.316 25.136 ( 11.336 6.446 6.357) 14.508 25.300 ( 4.243 9.285 -1.544) 10.325 26.140 ( -10.337 -10.605 5.754) 15.888 26.269 ( -3.614 -13.461 4.844) 14.756 26.770 ( 8.077 -13.580 -6.192) 16.970 27.058 ( 0.785 -3.586 -15.646) 16.071 29.564 ( 0.525 -0.946 2.314) 2.554 29.692 ( -2.723 -1.322 -3.934) 4.964 30.660 ( 2.243 7.063 7.338) 10.429 30.858 ( -2.809 6.775 0.909) 7.390 31.922 ( 0.773 9.383 18.484) 20.744 31.973 ( 0.613 10.213 12.477) 16.136 32.427 ( -3.621 9.127 5.055) 11.044 32.561 ( 2.000 -1.738 19.302) 19.483 32.692 ( 2.666 14.466 -13.639) 20.060 33.007 ( -6.290 0.001 3.647) 7.271 33.373 ( 5.525 -3.607 -1.797) 6.838 33.683 ( 0.275 -14.542 -9.678) 17.470 35.104 ( -0.519 3.162 16.868) 17.170 35.199 ( 0.031 2.875 17.670) 17.902 35.679 ( 2.185 4.451 -8.373) 9.731 35.847 ( -1.862 -0.727 -12.737) 12.893 ======================= Grid point 297 (105/126) ======================= q-point: ( 0.40 0.36 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.352 4.194 -0.537) 4.243 1.923 ( 0.095 2.303 -5.091) 5.589 2.173 ( 0.864 0.334 -0.066) 0.928 2.199 ( -0.981 0.158 -1.401) 1.718 2.436 ( 0.554 -3.878 2.788) 4.809 2.470 ( -0.149 -3.836 0.957) 3.956 5.642 ( 5.233 5.964 -0.987) 7.995 5.712 ( -1.952 5.607 -3.847) 7.074 6.393 ( 2.702 -2.251 7.323) 8.124 6.637 ( 4.183 -5.235 -2.964) 7.327 7.767 ( 5.083 21.921 12.492) 25.737 7.923 ( -12.319 22.533 5.913) 26.352 8.771 ( -9.391 15.632 12.793) 22.276 8.978 ( 1.715 11.408 1.604) 11.647 9.895 ( 12.524 0.358 6.593) 14.158 10.005 ( 4.925 10.535 10.110) 15.410 10.172 ( -1.418 16.640 8.880) 18.914 10.560 ( -2.816 10.271 5.492) 11.983 10.728 ( -4.091 -5.040 -5.066) 8.235 10.814 ( -2.748 6.311 -2.851) 7.450 11.775 ( -2.388 -0.903 11.890) 12.161 12.201 ( -4.973 15.264 -6.684) 17.389 12.724 ( 1.112 10.155 18.647) 21.262 12.899 ( -3.000 4.552 7.670) 9.410 13.888 ( 10.698 7.862 -3.107) 13.635 14.022 ( -2.639 5.328 -5.766) 8.283 14.412 ( 4.854 -10.165 15.889) 19.477 14.708 ( -1.898 -9.127 10.216) 13.831 15.317 ( 5.498 3.298 19.393) 20.426 15.443 ( -6.202 5.040 15.228) 17.197 16.208 ( -0.477 -2.683 -15.469) 15.707 16.567 ( 7.835 -3.452 1.114) 8.634 16.674 ( -1.699 2.567 -0.445) 3.110 16.997 ( -4.167 -4.310 -5.382) 8.056 17.190 ( 1.474 5.369 -38.081) 38.486 17.501 ( -1.647 -10.835 -28.834) 30.847 17.950 ( -3.170 -22.486 -4.117) 23.079 18.196 ( -3.897 -14.156 -6.952) 16.245 18.961 ( 5.441 -19.791 -9.889) 22.784 19.066 ( 4.121 -22.852 -17.063) 28.815 20.220 ( -5.825 4.493 3.623) 8.200 20.496 ( -8.755 -1.726 -9.059) 12.716 21.428 ( 8.645 5.874 3.096) 10.901 21.577 ( 5.511 1.458 -2.809) 6.355 22.168 ( -3.123 -1.190 -2.413) 4.122 22.389 ( -5.790 -6.164 -11.970) 14.656 23.159 ( 11.892 6.239 6.974) 15.132 23.315 ( -2.533 5.471 -0.370) 6.040 23.802 ( -4.180 -3.162 9.142) 10.538 24.374 ( -5.539 -9.197 -13.770) 17.461 25.316 ( 4.621 8.776 6.358) 11.782 25.414 ( 8.432 2.022 0.239) 8.675 25.896 ( -11.668 -7.557 7.444) 15.769 26.254 ( -0.064 -11.744 -5.850) 13.120 26.873 ( 2.766 -7.998 -4.020) 9.369 27.079 ( 1.077 -9.796 -10.195) 14.179 29.580 ( 1.068 -0.641 0.663) 1.410 29.641 ( -2.266 -1.556 -2.086) 3.451 30.708 ( 2.590 6.768 5.803) 9.283 30.796 ( -3.239 5.727 2.612) 7.079 31.936 ( 0.650 9.963 16.430) 19.226 31.989 ( 0.653 10.060 12.580) 16.121 32.371 ( -1.841 10.812 8.028) 13.592 32.575 ( -0.080 -3.520 18.038) 18.379 32.765 ( 4.365 16.266 -13.286) 21.451 32.898 ( -4.969 2.401 -1.532) 5.727 33.451 ( 2.343 -13.095 1.671) 13.407 33.688 ( 0.197 -9.497 -8.561) 12.788 35.096 ( -0.280 4.243 15.614) 16.183 35.199 ( -0.001 1.797 17.672) 17.763 35.728 ( 2.782 2.488 -10.730) 11.361 35.802 ( -2.605 1.418 -9.865) 10.301 ======================= Grid point 300 (106/126) ======================= q-point: ( 0.00 0.45 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.000 2.998 -2.982) 4.228 1.936 ( 0.000 -0.610 -5.395) 5.429 2.152 ( 0.000 0.002 1.127) 1.127 2.224 ( 0.000 -0.027 -2.495) 2.495 2.376 ( 0.000 -0.450 3.046) 3.079 2.404 ( 0.000 -2.175 1.467) 2.624 5.422 ( 0.000 -1.802 0.106) 1.805 5.597 ( 0.000 -3.866 -8.325) 9.179 6.342 ( 0.000 4.572 12.593) 13.398 6.813 ( 0.000 6.788 -10.463) 12.472 8.052 ( 0.000 11.634 22.255) 25.112 8.842 ( 0.000 16.776 -14.396) 22.106 9.020 ( 0.000 9.645 14.531) 17.440 9.390 ( 0.000 -4.541 -3.222) 5.568 9.391 ( 0.000 -9.945 2.342) 10.217 9.446 ( 0.000 -8.767 2.723) 9.180 10.337 ( 0.000 11.497 31.257) 33.305 10.789 ( 0.000 1.994 17.444) 17.557 10.848 ( 0.000 -2.487 11.678) 11.940 11.199 ( 0.000 3.299 -1.928) 3.821 12.026 ( 0.000 13.857 7.068) 15.556 12.745 ( 0.000 12.025 11.188) 16.425 12.775 ( 0.000 -10.615 -28.766) 30.662 13.109 ( 0.000 1.557 -1.267) 2.007 13.537 ( 0.000 6.377 14.542) 15.879 14.083 ( 0.000 0.771 -3.267) 3.357 14.299 ( 0.000 10.102 8.667) 13.310 14.606 ( 0.000 -12.371 -6.086) 13.787 14.875 ( 0.000 -7.850 30.490) 31.485 15.621 ( 0.000 1.945 34.215) 34.270 16.108 ( 0.000 -6.177 -3.498) 7.099 16.665 ( 0.000 9.005 -0.818) 9.042 16.836 ( 0.000 17.389 -8.035) 19.155 16.977 ( 0.000 -4.647 -9.962) 10.993 17.158 ( 0.000 -8.317 -25.204) 26.541 17.466 ( 0.000 -2.146 -37.328) 37.389 17.891 ( 0.000 -8.491 8.007) 11.671 18.017 ( 0.000 -2.292 -13.237) 13.434 18.293 ( 0.000 -19.788 -23.227) 30.513 18.621 ( 0.000 -5.206 -21.812) 22.425 20.813 ( 0.000 3.453 2.071) 4.027 20.925 ( 0.000 1.412 5.668) 5.842 20.954 ( 0.000 -1.388 -4.411) 4.624 21.166 ( 0.000 -1.553 -4.063) 4.350 22.312 ( 0.000 -0.706 -1.445) 1.609 22.574 ( 0.000 -1.368 -12.983) 13.055 22.922 ( 0.000 3.078 11.414) 11.821 23.244 ( 0.000 0.982 -4.251) 4.363 23.887 ( 0.000 -3.276 13.719) 14.104 24.510 ( 0.000 -3.618 -17.668) 18.034 25.150 ( 0.000 3.874 11.334) 11.978 25.519 ( 0.000 13.974 -5.430) 14.992 25.853 ( 0.000 -15.277 3.454) 15.663 26.338 ( 0.000 -0.935 15.889) 15.916 26.341 ( 0.000 -8.388 -14.375) 16.643 27.052 ( 0.000 0.142 -20.586) 20.586 29.546 ( 0.000 -0.333 2.795) 2.815 29.701 ( 0.000 -0.548 -5.139) 5.168 30.745 ( 0.000 2.775 8.552) 8.991 30.994 ( 0.000 2.987 0.520) 3.032 32.021 ( 0.000 2.333 19.997) 20.133 32.115 ( 0.000 3.628 11.889) 12.430 32.491 ( 0.000 -1.145 20.779) 20.811 32.515 ( 0.000 -1.732 11.403) 11.534 32.898 ( 0.000 6.109 -8.561) 10.517 33.097 ( 0.000 5.522 -8.051) 9.763 33.394 ( 0.000 -10.265 -8.218) 13.150 33.396 ( 0.000 2.746 -7.971) 8.431 35.143 ( 0.000 0.839 19.156) 19.175 35.250 ( 0.000 1.309 17.961) 18.009 35.728 ( 0.000 1.762 -8.404) 8.586 35.844 ( 0.000 -0.503 -10.519) 10.531 ======================= Grid point 301 (107/126) ======================= q-point: ( 0.20 0.45 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 0.410 2.969 -2.979) 4.225 1.937 ( 0.081 -0.661 -5.229) 5.271 2.160 ( 0.791 0.058 0.700) 1.058 2.218 ( -0.668 0.026 -2.205) 2.304 2.381 ( 0.462 -0.537 3.003) 3.085 2.406 ( 0.131 -2.135 1.608) 2.676 5.536 ( 11.208 0.232 -1.018) 11.256 5.657 ( 6.116 -2.953 -6.680) 9.526 6.338 ( -0.364 2.185 11.659) 11.868 6.744 ( -7.458 4.813 -8.449) 12.255 8.060 ( 1.043 10.648 19.572) 22.306 8.586 ( -17.544 12.565 -1.562) 21.636 9.104 ( -5.176 4.055 4.468) 7.950 9.243 ( -0.029 9.675 2.743) 10.056 9.498 ( 11.838 -9.641 6.018) 16.410 9.704 ( 17.235 -7.990 -0.949) 19.021 10.306 ( -3.050 2.852 18.278) 18.749 10.767 ( -0.823 7.758 14.665) 16.611 10.910 ( -1.500 0.061 8.567) 8.698 11.069 ( -8.259 0.953 7.646) 11.295 11.969 ( -5.317 13.928 4.296) 15.515 12.472 ( -14.860 -4.454 -10.586) 18.781 12.927 ( 3.429 6.429 2.030) 7.564 13.043 ( -3.532 2.338 6.153) 7.470 13.735 ( 16.517 3.914 4.802) 17.641 14.110 ( 2.428 1.932 -4.532) 5.492 14.319 ( 1.770 7.623 6.620) 10.250 14.561 ( -3.363 -9.939 0.045) 10.492 15.029 ( 14.034 -6.981 25.453) 29.892 15.584 ( -3.366 1.461 32.069) 32.278 16.149 ( 2.881 -4.853 -2.098) 6.021 16.548 ( -9.455 3.503 -0.364) 10.090 16.839 ( -1.245 10.534 -5.733) 12.058 16.999 ( 2.411 3.727 -9.461) 10.450 17.210 ( 4.265 -7.296 -25.196) 26.575 17.469 ( 0.689 1.307 -35.190) 35.221 17.695 ( -12.604 -9.973 -4.093) 16.585 18.028 ( -3.303 -7.169 -15.645) 17.523 18.441 ( 12.367 -13.782 -15.670) 24.258 18.647 ( 2.664 -7.358 -19.003) 20.551 20.522 ( -16.049 3.272 3.876) 16.831 20.697 ( -17.209 -2.317 -4.129) 17.848 21.231 ( 17.808 1.451 2.783) 18.082 21.392 ( 14.386 -0.380 -3.349) 14.776 22.252 ( -5.484 -0.241 -2.185) 5.908 22.464 ( -9.609 -1.903 -10.432) 14.310 23.033 ( 9.819 2.467 9.553) 13.920 23.323 ( 6.827 1.380 -3.203) 7.666 23.842 ( -3.668 -1.914 11.430) 12.155 24.396 ( -11.113 -4.181 -14.959) 19.098 25.232 ( 8.107 2.492 10.181) 13.251 25.543 ( 2.047 13.412 -5.674) 14.706 25.882 ( 1.759 -13.996 1.741) 14.213 26.081 ( -12.654 -4.575 4.218) 14.102 26.595 ( 12.909 -3.857 -3.110) 13.827 27.025 ( -2.810 -0.426 -18.305) 18.524 29.551 ( 0.600 -0.325 1.921) 2.038 29.672 ( -2.768 -0.556 -4.208) 5.067 30.761 ( 1.633 2.561 7.594) 8.179 30.960 ( -3.548 2.748 1.261) 4.661 32.043 ( 2.093 2.755 19.284) 19.592 32.108 ( -0.374 3.266 12.656) 13.076 32.486 ( -1.025 0.100 16.533) 16.565 32.512 ( 0.031 -2.550 16.324) 16.522 32.912 ( 1.637 6.327 -9.851) 11.822 33.088 ( -1.096 4.521 -9.092) 10.213 33.343 ( -2.098 0.111 -5.251) 5.656 33.456 ( 2.953 -7.237 -9.576) 12.361 35.149 ( 0.655 1.160 18.760) 18.807 35.238 ( -1.172 0.962 17.842) 17.907 35.742 ( 1.421 1.705 -8.423) 8.710 35.836 ( -0.801 -0.316 -10.059) 10.096 ======================= Grid point 302 (108/126) ======================= q-point: ( 0.40 0.45 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.268 2.980 -3.006) 4.241 1.938 ( 0.022 -0.795 -4.947) 5.011 2.179 ( 1.135 0.192 -0.292) 1.187 2.201 ( -1.048 0.048 -1.443) 1.784 2.389 ( 0.302 -0.630 2.932) 3.014 2.408 ( 0.030 -2.103 1.842) 2.796 5.748 ( 8.595 3.935 -2.397) 9.752 5.783 ( 5.199 0.902 -3.908) 6.566 6.353 ( 3.530 -1.273 7.065) 8.000 6.556 ( -11.403 -2.234 -3.016) 12.005 8.110 ( 5.114 10.047 13.191) 17.352 8.289 ( -13.372 10.449 5.338) 17.790 9.044 ( -0.054 9.425 10.760) 14.304 9.176 ( -4.539 5.661 9.422) 11.892 9.845 ( 18.682 0.347 -0.106) 18.685 9.990 ( 12.306 -7.519 -3.925) 14.946 10.250 ( -0.032 -6.211 4.382) 7.601 10.543 ( -25.030 -3.392 -8.388) 26.616 10.797 ( 0.140 18.500 24.087) 30.372 11.093 ( 2.766 -3.703 20.885) 21.390 11.882 ( -2.846 16.852 0.103) 17.091 12.270 ( -6.142 -10.088 -10.018) 15.487 12.937 ( -0.306 9.166 14.282) 16.973 13.008 ( -1.015 2.751 8.696) 9.177 14.014 ( 11.484 3.618 -4.762) 12.948 14.134 ( -1.203 4.092 -9.739) 10.632 14.352 ( 1.440 3.623 8.180) 9.062 14.509 ( -1.842 -9.342 6.057) 11.285 15.303 ( 13.775 -1.619 25.788) 29.281 15.500 ( -6.646 1.043 28.254) 29.044 16.181 ( 1.201 -0.478 -5.485) 5.635 16.380 ( -7.163 -10.207 3.435) 12.934 16.845 ( 2.062 13.328 2.583) 13.732 17.005 ( -1.860 4.917 -6.714) 8.527 17.283 ( 3.155 -6.967 -30.894) 31.827 17.462 ( -3.257 -10.547 -25.332) 27.632 17.562 ( -0.048 8.273 -20.743) 22.332 17.938 ( -4.344 -12.141 -18.817) 22.811 18.636 ( 7.194 -10.341 -12.951) 18.067 18.694 ( 1.173 -10.504 -15.384) 18.665 20.314 ( -5.543 4.369 2.647) 7.538 20.434 ( -9.297 -3.751 -2.860) 10.425 21.506 ( 10.711 1.906 1.429) 10.973 21.588 ( 4.838 0.015 -1.231) 4.992 22.168 ( -1.820 0.792 -4.741) 5.140 22.283 ( -8.277 -3.531 -8.894) 12.653 23.231 ( 10.714 1.259 8.952) 14.018 23.380 ( -3.364 1.035 4.693) 5.866 23.837 ( 4.353 4.891 0.832) 6.600 24.166 ( -11.295 -8.798 -10.566) 17.794 25.416 ( 10.818 1.267 7.026) 12.961 25.556 ( -2.316 8.895 -2.148) 9.439 25.805 ( -7.548 0.049 4.766) 8.927 25.982 ( 0.463 -13.368 -1.493) 13.459 26.798 ( 8.495 -0.994 -7.189) 11.173 26.954 ( -4.689 -2.865 -12.722) 13.858 29.571 ( 1.584 -0.225 -0.041) 1.601 29.616 ( -2.822 -0.695 -2.274) 3.691 30.804 ( 3.090 2.416 5.527) 6.778 30.880 ( -4.530 2.189 3.103) 5.911 32.079 ( 1.296 3.995 17.261) 17.764 32.109 ( 0.302 2.284 14.318) 14.502 32.466 ( -0.697 1.167 15.552) 15.611 32.507 ( -0.495 -2.935 17.855) 18.102 32.951 ( 1.991 6.762 -9.177) 11.572 33.060 ( -1.513 2.753 -12.314) 12.708 33.319 ( -0.555 3.183 -3.029) 4.429 33.495 ( 1.094 -9.762 -9.849) 13.910 35.165 ( 0.851 2.292 17.790) 17.957 35.214 ( -1.150 -0.199 18.042) 18.080 35.773 ( 1.594 1.703 -8.984) 9.282 35.816 ( -1.226 -0.111 -8.847) 8.933 ======================= Grid point 330 (109/126) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 0.000 0.000 -0.309) 0.309 1.569 ( 0.000 0.000 0.309) 0.309 2.195 ( 0.000 0.000 -2.716) 2.716 2.195 ( 0.000 0.000 2.716) 2.716 2.827 ( 0.000 0.000 -3.800) 3.800 2.827 ( 0.000 0.000 3.800) 3.800 5.597 ( 0.000 0.000 -15.830) 15.830 5.597 ( 0.000 0.000 15.830) 15.830 6.473 ( 0.000 0.000 -19.053) 19.053 6.473 ( 0.000 0.000 19.054) 19.054 6.680 ( 0.000 0.000 -14.425) 14.425 6.680 ( 0.000 0.000 14.425) 14.425 7.987 ( 0.000 0.000 -22.138) 22.138 7.987 ( 0.000 0.000 22.138) 22.138 8.218 ( 0.000 0.000 -12.738) 12.738 8.218 ( 0.000 0.000 12.739) 12.739 8.759 ( 0.000 0.000 -33.080) 33.080 8.759 ( 0.000 0.000 33.080) 33.080 11.177 ( 0.000 0.000 -8.333) 8.333 11.177 ( 0.000 0.000 8.333) 8.333 12.296 ( 0.000 0.000 -30.940) 30.940 12.296 ( 0.000 0.000 30.940) 30.940 12.865 ( 0.000 0.000 -21.369) 21.369 12.865 ( 0.000 0.000 21.369) 21.369 13.903 ( 0.000 0.000 -15.368) 15.368 13.903 ( 0.000 0.000 15.368) 15.368 14.419 ( 0.000 0.000 -15.531) 15.531 14.419 ( 0.000 0.000 15.531) 15.531 15.368 ( 0.000 0.000 -12.728) 12.728 15.368 ( 0.000 0.000 12.728) 12.728 15.598 ( 0.000 0.000 -19.437) 19.437 15.598 ( 0.000 0.000 19.437) 19.437 17.803 ( 0.000 0.000 -13.274) 13.274 17.803 ( 0.000 0.000 13.274) 13.274 18.229 ( 0.000 0.000 -0.148) 0.148 18.229 ( 0.000 0.000 0.148) 0.148 19.450 ( 0.000 0.000 -12.678) 12.678 19.450 ( 0.000 0.000 12.678) 12.678 19.702 ( 0.000 0.000 -13.847) 13.847 19.702 ( 0.000 0.000 13.847) 13.847 20.407 ( 0.000 0.000 -11.654) 11.654 20.407 ( 0.000 0.000 11.654) 11.654 20.453 ( 0.000 0.000 -9.039) 9.039 20.453 ( 0.000 0.000 9.039) 9.039 22.440 ( 0.000 0.000 -12.320) 12.320 22.440 ( 0.000 0.000 12.320) 12.320 22.809 ( 0.000 0.000 -9.005) 9.005 22.809 ( 0.000 0.000 9.005) 9.005 24.564 ( 0.000 0.000 -6.885) 6.885 24.564 ( 0.000 0.000 6.885) 6.885 24.860 ( 0.000 0.000 -0.633) 0.633 24.860 ( 0.000 0.000 0.633) 0.633 27.285 ( 0.000 0.000 -4.361) 4.361 27.285 ( 0.000 0.000 4.361) 4.361 28.352 ( 0.000 0.000 -5.288) 5.288 28.352 ( 0.000 0.000 5.288) 5.288 29.731 ( 0.000 0.000 -10.754) 10.754 29.731 ( 0.000 0.000 10.754) 10.754 30.119 ( 0.000 0.000 -1.102) 1.102 30.119 ( 0.000 0.000 1.102) 1.102 30.589 ( 0.000 0.000 -0.030) 0.030 30.589 ( 0.000 0.000 0.030) 0.030 31.174 ( 0.000 0.000 -13.034) 13.034 31.174 ( 0.000 0.000 13.034) 13.034 33.144 ( 0.000 0.000 -2.846) 2.846 33.144 ( 0.000 0.000 2.846) 2.846 34.573 ( 0.000 0.000 -3.298) 3.298 34.573 ( 0.000 0.000 3.298) 3.298 35.037 ( 0.000 0.000 -1.651) 1.651 35.037 ( 0.000 0.000 1.651) 1.651 35.369 ( 0.000 0.000 -15.366) 15.366 35.369 ( 0.000 0.000 15.366) 15.366 ======================= Grid point 332 (110/126) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -0.001 0.000 -0.256) 0.256 1.569 ( -0.001 0.000 0.256) 0.256 2.185 ( -0.891 0.000 -2.164) 2.340 2.185 ( -0.891 0.000 2.164) 2.340 2.825 ( -0.147 0.000 -2.986) 2.989 2.825 ( -0.147 0.000 2.986) 2.989 5.567 ( -2.366 0.000 -11.059) 11.309 5.567 ( -2.366 0.000 11.059) 11.309 6.541 ( 5.098 0.000 -14.353) 15.232 6.541 ( 5.098 0.000 14.353) 15.232 6.717 ( 4.511 0.000 -11.255) 12.125 6.717 ( 4.511 0.000 11.255) 12.125 7.900 ( -13.369 0.000 -4.257) 14.031 7.900 ( -13.369 0.000 4.257) 14.031 8.163 ( 3.579 0.000 -12.048) 12.568 8.163 ( 3.579 0.000 12.048) 12.568 8.842 ( 3.439 0.000 -17.743) 18.073 8.842 ( 3.439 0.000 17.743) 18.073 11.232 ( 6.749 0.000 -6.502) 9.371 11.232 ( 6.749 0.000 6.502) 9.371 12.266 ( -4.490 0.000 -23.048) 23.481 12.266 ( -4.490 0.000 23.048) 23.481 12.811 ( -4.491 0.000 -14.312) 15.000 12.811 ( -4.491 0.000 14.312) 15.000 13.805 ( -7.463 0.000 -11.376) 13.605 13.805 ( -7.463 0.000 11.376) 13.605 14.540 ( 9.695 0.000 -10.786) 14.503 14.540 ( 9.695 0.000 10.786) 14.503 15.346 ( -2.085 0.000 -7.482) 7.767 15.346 ( -2.085 0.000 7.482) 7.767 15.625 ( 2.432 0.000 -13.423) 13.642 15.625 ( 2.432 0.000 13.423) 13.642 17.832 ( 3.303 0.000 -11.004) 11.489 17.832 ( 3.303 0.000 11.004) 11.489 18.216 ( -1.607 0.000 -0.236) 1.624 18.216 ( -1.607 0.000 0.236) 1.624 19.367 ( -7.185 0.000 -9.177) 11.655 19.367 ( -7.185 0.000 9.177) 11.655 19.729 ( 1.880 0.000 -10.064) 10.238 19.729 ( 1.880 0.000 10.064) 10.238 20.363 ( -2.057 0.000 -5.122) 5.519 20.363 ( -2.057 0.000 5.122) 5.519 20.536 ( 5.615 0.000 -2.741) 6.248 20.536 ( 5.615 0.000 2.741) 6.248 22.431 ( -0.858 0.000 -8.423) 8.466 22.431 ( -0.858 0.000 8.423) 8.466 22.841 ( 2.989 0.000 -5.648) 6.390 22.841 ( 2.989 0.000 5.648) 6.390 24.470 ( -7.328 0.000 -3.267) 8.024 24.470 ( -7.328 0.000 3.267) 8.024 24.960 ( 7.885 0.000 -2.024) 8.141 24.960 ( 7.885 0.000 2.024) 8.141 27.160 ( -11.039 0.000 -4.267) 11.835 27.160 ( -11.039 0.000 4.267) 11.835 28.483 ( 11.884 0.000 -4.293) 12.636 28.483 ( 11.884 0.000 4.293) 12.636 29.633 ( -9.194 0.000 -6.688) 11.370 29.633 ( -9.194 0.000 6.688) 11.370 30.141 ( 1.735 0.000 -1.180) 2.098 30.141 ( 1.735 0.000 1.180) 2.098 30.625 ( 3.298 0.000 -0.109) 3.300 30.625 ( 3.298 0.000 0.109) 3.300 31.134 ( -3.616 0.000 -10.593) 11.193 31.134 ( -3.616 0.000 10.593) 11.193 33.194 ( 4.543 0.000 -2.543) 5.206 33.194 ( 4.543 0.000 2.543) 5.206 34.583 ( 1.060 0.000 -4.164) 4.297 34.583 ( 1.060 0.000 4.164) 4.297 35.032 ( -0.662 0.000 -0.824) 1.057 35.032 ( -0.662 0.000 0.824) 1.057 35.356 ( -1.170 0.000 -11.768) 11.826 35.356 ( -1.170 0.000 11.768) 11.826 ======================= Grid point 334 (111/126) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -0.000 0.000 -0.102) 0.102 1.569 ( -0.000 0.000 0.102) 0.102 2.170 ( -0.591 0.000 -0.806) 1.000 2.170 ( -0.591 0.000 0.806) 1.000 2.823 ( -0.052 0.000 -1.087) 1.088 2.823 ( -0.052 0.000 1.087) 1.088 5.535 ( -0.838 0.000 -3.510) 3.609 5.535 ( -0.838 0.000 3.510) 3.609 6.599 ( 1.238 0.000 -5.489) 5.627 6.599 ( 1.238 0.000 5.489) 5.627 6.826 ( 4.947 0.000 -3.697) 6.176 6.826 ( 4.947 0.000 3.697) 6.176 7.652 ( -9.103 0.000 -0.466) 9.115 7.652 ( -9.103 0.000 0.466) 9.115 8.311 ( 8.360 0.000 -9.125) 12.376 8.311 ( 8.360 0.000 9.125) 12.376 8.809 ( -4.928 0.000 -3.021) 5.780 8.809 ( -4.928 0.000 3.021) 5.780 11.412 ( 9.783 0.000 -1.964) 9.978 11.412 ( 9.783 0.000 1.964) 9.978 12.114 ( -9.250 0.000 -6.541) 11.329 12.114 ( -9.250 0.000 6.541) 11.329 12.756 ( -1.179 0.000 -2.402) 2.676 12.756 ( -1.179 0.000 2.402) 2.676 13.703 ( -2.923 0.000 -4.644) 5.487 13.703 ( -2.923 0.000 4.644) 5.487 14.685 ( 4.713 0.000 -4.129) 6.266 14.685 ( 4.713 0.000 4.129) 6.266 15.308 ( -1.474 0.000 -1.535) 2.128 15.308 ( -1.474 0.000 1.535) 2.128 15.665 ( 1.338 0.000 -4.237) 4.444 15.665 ( 1.338 0.000 4.237) 4.444 17.913 ( 4.159 0.000 -4.952) 6.467 17.913 ( 4.159 0.000 4.952) 6.467 18.167 ( -2.987 0.000 -0.407) 3.014 18.167 ( -2.987 0.000 0.407) 3.014 19.252 ( -3.851 0.000 -3.496) 5.201 19.252 ( -3.851 0.000 3.496) 5.201 19.753 ( 0.641 0.000 -3.704) 3.759 19.753 ( 0.641 0.000 3.704) 3.759 20.341 ( -0.509 0.000 -2.041) 2.104 20.341 ( -0.509 0.000 2.041) 2.104 20.618 ( 2.636 0.000 -1.043) 2.835 20.618 ( 2.636 0.000 1.043) 2.835 22.416 ( -0.554 0.000 -2.439) 2.501 22.416 ( -0.554 0.000 2.439) 2.501 22.894 ( 1.956 0.000 -1.305) 2.351 22.894 ( 1.956 0.000 1.305) 2.351 24.361 ( -3.483 0.000 -0.637) 3.541 24.361 ( -3.483 0.000 0.637) 3.541 25.080 ( 3.939 0.000 -1.566) 4.239 25.080 ( 3.939 0.000 1.566) 4.239 26.982 ( -6.054 0.000 -2.080) 6.401 26.982 ( -6.054 0.000 2.080) 6.401 28.692 ( 8.060 0.000 -1.813) 8.261 28.692 ( 8.060 0.000 1.813) 8.261 29.463 ( -6.869 0.000 -1.747) 7.088 29.463 ( -6.869 0.000 1.747) 7.088 30.166 ( 0.766 0.000 -1.154) 1.385 30.166 ( 0.766 0.000 1.154) 1.385 30.679 ( 1.841 0.000 -0.019) 1.841 30.679 ( 1.841 0.000 0.019) 1.841 31.074 ( -2.087 0.000 -4.127) 4.625 31.074 ( -2.087 0.000 4.127) 4.625 33.269 ( 2.556 0.000 -1.083) 2.776 33.269 ( 2.556 0.000 1.083) 2.776 34.607 ( 1.112 0.000 -2.862) 3.071 34.607 ( 1.112 0.000 2.862) 3.071 35.015 ( -0.899 0.000 -2.163) 2.342 35.015 ( -0.899 0.000 2.163) 2.342 35.337 ( -0.613 0.000 -3.901) 3.948 35.337 ( -0.613 0.000 3.901) 3.948 ======================= Grid point 340 (112/126) ======================= q-point: ( 0.00 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.000 2.847 -1.604) 3.268 1.599 ( 0.000 2.847 1.604) 3.268 2.192 ( 0.000 -0.246 -2.562) 2.573 2.192 ( 0.000 -0.246 2.562) 2.573 2.782 ( 0.000 -4.153 -3.521) 5.444 2.782 ( 0.000 -4.153 3.521) 5.444 5.634 ( 0.000 4.181 -14.033) 14.643 5.634 ( 0.000 4.181 14.033) 14.643 6.304 ( 0.000 -11.998 -16.882) 20.712 6.304 ( 0.000 -11.998 16.882) 20.712 6.853 ( 0.000 13.066 -9.367) 16.077 6.853 ( 0.000 13.066 9.367) 16.077 8.194 ( 0.000 18.199 -15.383) 23.829 8.194 ( 0.000 18.199 15.383) 23.829 8.456 ( 0.000 21.731 -9.409) 23.681 8.456 ( 0.000 21.731 9.409) 23.681 8.867 ( 0.000 11.185 -27.886) 30.046 8.867 ( 0.000 11.185 27.886) 30.046 11.165 ( 0.000 -1.555 -8.159) 8.306 11.165 ( 0.000 -1.555 8.159) 8.306 12.291 ( 0.000 -0.418 -29.018) 29.021 12.291 ( 0.000 -0.418 29.018) 29.021 12.686 ( 0.000 -13.597 -15.684) 20.757 12.686 ( 0.000 -13.597 15.684) 20.757 14.103 ( 0.000 15.969 -18.714) 24.602 14.103 ( 0.000 15.969 18.714) 24.602 14.356 ( 0.000 -5.879 -24.538) 25.233 14.356 ( 0.000 -5.879 24.538) 25.233 15.387 ( 0.000 2.033 -15.348) 15.482 15.387 ( 0.000 2.033 15.348) 15.482 15.639 ( 0.000 3.702 -22.312) 22.617 15.639 ( 0.000 3.702 22.312) 22.617 17.621 ( 0.000 -16.429 -11.461) 20.031 17.621 ( 0.000 -16.429 11.461) 20.031 18.127 ( 0.000 -9.677 -2.140) 9.911 18.127 ( 0.000 -9.677 2.140) 9.911 19.316 ( 0.000 -11.494 -13.372) 17.633 19.316 ( 0.000 -11.494 13.372) 17.633 19.657 ( 0.000 -5.720 -7.599) 9.511 19.657 ( 0.000 -5.720 7.599) 9.511 20.493 ( 0.000 4.173 -15.438) 15.992 20.493 ( 0.000 4.173 15.438) 15.992 20.537 ( 0.000 10.707 -10.588) 15.058 20.537 ( 0.000 10.707 10.588) 15.058 22.492 ( 0.000 4.943 -12.474) 13.418 22.492 ( 0.000 4.943 12.474) 13.418 22.763 ( 0.000 -4.388 -8.694) 9.738 22.763 ( 0.000 -4.388 8.694) 9.738 24.613 ( 0.000 4.673 -6.820) 8.268 24.613 ( 0.000 4.673 6.820) 8.268 24.816 ( 0.000 -4.181 -4.309) 6.004 24.816 ( 0.000 -4.181 4.309) 6.004 27.193 ( 0.000 -8.374 -4.973) 9.739 27.193 ( 0.000 -8.374 4.973) 9.739 28.061 ( 0.000 -24.899 -9.355) 26.598 28.061 ( 0.000 -24.899 9.355) 26.598 29.723 ( 0.000 -0.801 -6.570) 6.619 29.723 ( 0.000 -0.801 6.570) 6.619 30.200 ( 0.000 7.477 -5.433) 9.243 30.200 ( 0.000 7.477 5.433) 9.243 30.879 ( 0.000 24.773 -6.187) 25.534 30.879 ( 0.000 24.773 6.187) 25.534 31.292 ( 0.000 11.108 -12.499) 16.721 31.292 ( 0.000 11.108 12.499) 16.721 33.108 ( 0.000 -3.278 -4.958) 5.944 33.108 ( 0.000 -3.278 4.958) 5.944 34.464 ( 0.000 -10.503 -17.233) 20.181 34.464 ( 0.000 -10.503 17.233) 20.181 35.084 ( 0.000 4.347 -5.458) 6.978 35.084 ( 0.000 4.347 5.458) 6.978 35.386 ( 0.000 1.670 -22.672) 22.734 35.386 ( 0.000 1.670 22.672) 22.734 ======================= Grid point 342 (113/126) ======================= q-point: ( 0.20 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.107 2.950 -1.553) 3.336 1.600 ( 0.107 2.950 1.553) 3.336 2.184 ( -0.774 -0.137 -2.049) 2.195 2.184 ( -0.774 -0.137 2.049) 2.195 2.782 ( 0.000 -4.013 -2.791) 4.888 2.782 ( 0.000 -4.013 2.791) 4.888 5.558 ( -5.613 -0.017 -8.497) 10.184 5.558 ( -5.613 -0.017 8.497) 10.184 6.476 ( 14.775 -5.464 -13.235) 20.575 6.476 ( 14.775 -5.464 13.235) 20.575 6.828 ( -2.055 10.281 -8.194) 13.306 6.828 ( -2.055 10.281 8.194) 13.306 8.085 ( -11.953 17.931 -5.640) 22.276 8.085 ( -11.953 17.931 5.640) 22.276 8.439 ( 2.970 23.548 -10.448) 25.932 8.439 ( 2.970 23.548 10.448) 25.932 8.931 ( 2.372 9.666 -16.332) 19.126 8.931 ( 2.372 9.666 16.332) 19.126 11.214 ( 5.847 -2.048 -6.646) 9.086 11.214 ( 5.847 -2.048 6.646) 9.086 12.217 ( -8.161 -5.436 -18.341) 20.798 12.217 ( -8.161 -5.436 18.341) 20.798 12.699 ( 1.559 -7.070 -16.023) 17.582 12.699 ( 1.559 -7.070 16.023) 17.582 13.965 ( -9.278 11.720 -12.295) 19.355 13.965 ( -9.278 11.720 12.295) 19.355 14.518 ( 11.826 -1.047 -15.965) 19.895 14.518 ( 11.826 -1.047 15.965) 19.895 15.336 ( -4.633 -0.355 -12.486) 13.323 15.336 ( -4.633 -0.355 12.486) 13.323 15.682 ( 3.588 4.946 -18.844) 19.810 15.682 ( 3.588 4.946 18.844) 19.810 17.638 ( 1.857 -17.229 -8.884) 19.473 17.638 ( 1.857 -17.229 8.884) 19.473 18.127 ( -0.245 -8.982 -1.751) 9.155 18.127 ( -0.245 -8.982 1.751) 9.155 19.220 ( -7.888 -12.460 -10.005) 17.821 19.220 ( -7.888 -12.460 10.005) 17.821 19.724 ( 5.238 -2.341 -7.903) 9.766 19.724 ( 5.238 -2.341 7.903) 9.766 20.365 ( -6.883 0.129 -5.288) 8.681 20.365 ( -6.883 0.129 5.288) 8.681 20.679 ( 8.151 12.685 -7.389) 16.791 20.679 ( 8.151 12.685 7.389) 16.791 22.456 ( -2.958 2.121 -8.165) 8.939 22.456 ( -2.958 2.121 8.165) 8.939 22.819 ( 4.920 -1.741 -5.622) 7.671 22.819 ( 4.920 -1.741 5.622) 7.671 24.472 ( -9.653 -0.018 -2.362) 9.938 24.472 ( -9.653 -0.018 2.362) 9.938 24.967 ( 10.611 0.859 -2.497) 10.935 24.967 ( 10.611 0.859 2.497) 10.935 27.051 ( -12.303 -9.881 -3.965) 16.270 27.051 ( -12.303 -9.881 3.965) 16.270 28.180 ( 10.185 -25.220 -6.891) 28.058 28.180 ( 10.185 -25.220 6.891) 28.058 29.649 ( -6.572 1.507 -4.783) 8.267 29.649 ( -6.572 1.507 4.783) 8.267 30.275 ( 6.761 7.987 -4.618) 11.438 30.275 ( 6.761 7.987 4.618) 11.438 30.828 ( -5.091 20.871 -3.819) 21.820 30.828 ( -5.091 20.871 3.819) 21.820 31.288 ( -0.227 13.814 -8.346) 16.142 31.288 ( -0.227 13.814 8.346) 16.142 33.149 ( 3.725 -4.085 -5.268) 7.636 33.149 ( 3.725 -4.085 5.268) 7.636 34.480 ( 1.628 -10.097 -16.945) 19.792 34.480 ( 1.628 -10.097 16.945) 19.792 35.074 ( -1.159 4.040 -7.441) 8.546 35.074 ( -1.159 4.040 7.441) 8.546 35.377 ( -0.776 2.006 -17.842) 17.972 35.377 ( -0.776 2.006 17.842) 17.972 ======================= Grid point 344 (114/126) ======================= q-point: ( 0.40 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 0.070 3.123 -1.464) 3.450 1.602 ( 0.070 3.123 1.464) 3.450 2.170 ( -0.508 0.062 -0.773) 0.927 2.170 ( -0.508 0.062 0.773) 0.927 2.782 ( 0.020 -3.820 -1.099) 3.975 2.782 ( 0.020 -3.820 1.099) 3.975 5.486 ( -1.937 -3.223 -2.686) 4.621 5.486 ( -1.937 -3.223 2.686) 4.621 6.678 ( 3.498 5.488 -8.580) 10.769 6.678 ( 3.498 5.488 8.580) 10.769 6.838 ( 4.231 2.585 -10.679) 11.774 6.838 ( 4.231 2.585 10.679) 11.774 7.867 ( -8.236 19.980 -1.081) 21.638 7.867 ( -8.236 19.980 1.081) 21.638 8.558 ( 7.231 21.171 -7.615) 23.632 8.558 ( 7.231 21.171 7.615) 23.632 8.889 ( -5.189 9.628 -5.579) 12.278 8.889 ( -5.189 9.628 5.579) 12.278 11.366 ( 8.082 -4.312 -3.282) 9.731 11.366 ( 8.082 -4.312 3.282) 9.731 12.029 ( -9.196 -8.418 -6.096) 13.878 12.029 ( -9.196 -8.418 6.096) 13.878 12.733 ( 1.419 -0.192 -17.779) 17.837 12.733 ( 1.419 -0.192 17.779) 17.837 13.839 ( -3.724 10.393 -5.463) 12.317 13.839 ( -3.724 10.393 5.463) 12.317 14.697 ( 6.064 1.823 -6.682) 9.206 14.697 ( 6.064 1.823 6.682) 9.206 15.252 ( -3.305 -4.262 -16.908) 17.748 15.252 ( -3.305 -4.262 16.908) 17.748 15.737 ( 1.761 6.074 -16.530) 17.698 15.737 ( 1.761 6.074 16.530) 17.698 17.680 ( 1.934 -19.197 -3.641) 19.635 17.680 ( 1.934 -19.197 3.641) 19.635 18.114 ( -0.845 -7.231 -1.645) 7.464 18.114 ( -0.845 -7.231 1.645) 7.464 19.099 ( -3.904 -13.104 -5.103) 14.594 19.099 ( -3.904 -13.104 5.103) 14.594 19.801 ( 2.470 3.425 -9.410) 10.315 19.801 ( 2.470 3.425 9.410) 10.315 20.271 ( -2.902 -6.838 -2.418) 7.812 20.271 ( -2.902 -6.838 2.418) 7.812 20.793 ( 3.528 15.180 -8.348) 17.680 20.793 ( 3.528 15.180 8.348) 17.680 22.411 ( -1.485 -0.608 -3.884) 4.203 22.411 ( -1.485 -0.608 3.884) 4.203 22.899 ( 2.807 0.733 -3.553) 4.587 22.899 ( 2.807 0.733 3.553) 4.587 24.335 ( -4.275 -2.306 -0.609) 4.895 24.335 ( -4.275 -2.306 0.609) 4.895 25.123 ( 5.093 3.939 -1.518) 6.615 25.123 ( 5.093 3.939 1.518) 6.615 26.853 ( -6.777 -11.704 -2.546) 13.762 26.853 ( -6.777 -11.704 2.546) 13.762 28.341 ( 5.428 -27.385 -2.700) 28.048 28.341 ( 5.428 -27.385 2.700) 28.048 29.541 ( -3.783 5.325 -2.726) 7.078 29.541 ( -3.783 5.325 2.727) 7.078 30.398 ( 5.050 10.475 -5.530) 12.876 30.398 ( 5.050 10.475 5.530) 12.876 30.724 ( -4.690 14.635 -3.447) 15.750 30.724 ( -4.690 14.635 3.447) 15.750 31.287 ( 0.051 17.034 -3.501) 17.390 31.287 ( 0.051 17.034 3.501) 17.390 33.210 ( 2.049 -5.371 -5.613) 8.034 33.210 ( 2.049 -5.371 5.613) 8.034 34.513 ( 1.444 -9.536 -15.735) 18.456 34.513 ( 1.444 -9.536 15.735) 18.456 35.048 ( -1.186 3.654 -12.258) 12.846 35.048 ( -1.186 3.654 12.258) 12.846 35.365 ( -0.349 2.570 -6.494) 6.992 35.365 ( -0.349 2.570 6.494) 6.992 ======================= Grid point 350 (115/126) ======================= q-point: ( 0.00 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.000 4.297 -2.914) 5.192 1.675 ( 0.000 4.297 2.914) 5.192 2.186 ( 0.000 -0.285 -2.228) 2.246 2.186 ( 0.000 -0.285 2.228) 2.246 2.674 ( 0.000 -5.954 -2.853) 6.602 2.674 ( 0.000 -5.954 2.853) 6.602 5.787 ( 0.000 10.929 -11.603) 15.939 5.787 ( 0.000 10.929 11.603) 15.939 6.044 ( 0.000 -13.051 -13.092) 18.486 6.044 ( 0.000 -13.051 13.092) 18.486 7.181 ( 0.000 18.958 -11.288) 22.064 7.181 ( 0.000 18.958 11.288) 22.064 8.596 ( 0.000 18.385 -18.510) 26.089 8.596 ( 0.000 18.385 18.510) 26.089 9.008 ( 0.000 29.582 -9.351) 31.025 9.008 ( 0.000 29.582 9.351) 31.025 9.256 ( 0.000 27.150 -16.288) 31.661 9.256 ( 0.000 27.150 16.288) 31.661 11.090 ( 0.000 -6.104 -8.054) 10.106 11.090 ( 0.000 -6.104 8.054) 10.106 12.283 ( 0.000 -0.141 -23.717) 23.718 12.283 ( 0.000 -0.141 23.717) 23.718 12.454 ( 0.000 -6.786 -12.047) 13.827 12.454 ( 0.000 -6.786 12.047) 13.827 14.200 ( 0.000 -8.878 -32.516) 33.707 14.200 ( 0.000 -8.878 32.516) 33.707 14.430 ( 0.000 13.975 -24.535) 28.236 14.430 ( 0.000 13.975 24.535) 28.236 15.472 ( 0.000 7.027 -20.181) 21.370 15.472 ( 0.000 7.027 20.181) 21.370 15.731 ( 0.000 4.782 -26.387) 26.816 15.731 ( 0.000 4.782 26.387) 26.816 17.208 ( 0.000 -22.088 -10.099) 24.287 17.208 ( 0.000 -22.088 10.099) 24.287 17.856 ( 0.000 -16.147 -4.072) 16.652 17.856 ( 0.000 -16.147 4.072) 16.652 19.039 ( 0.000 -14.862 -14.291) 20.618 19.039 ( 0.000 -14.862 14.291) 20.618 19.429 ( 0.000 -16.650 -5.432) 17.514 19.429 ( 0.000 -16.650 5.432) 17.514 20.615 ( 0.000 7.038 -17.816) 19.156 20.615 ( 0.000 7.038 17.816) 19.156 20.766 ( 0.000 10.536 -9.530) 14.207 20.766 ( 0.000 10.536 9.530) 14.207 22.634 ( 0.000 8.726 -12.231) 15.025 22.634 ( 0.000 8.726 12.231) 15.025 22.645 ( 0.000 -6.629 -8.530) 10.804 22.645 ( 0.000 -6.629 8.530) 10.804 24.698 ( 0.000 -7.267 -9.239) 11.754 24.698 ( 0.000 -7.267 9.239) 11.754 24.746 ( 0.000 8.115 -6.819) 10.599 24.746 ( 0.000 8.115 6.819) 10.599 26.987 ( 0.000 -10.591 -8.872) 13.816 26.987 ( 0.000 -10.591 8.872) 13.816 27.478 ( 0.000 -30.042 -12.202) 32.426 27.478 ( 0.000 -30.042 12.202) 32.426 29.698 ( 0.000 -1.560 -4.467) 4.732 29.698 ( 0.000 -1.560 4.467) 4.732 30.393 ( 0.000 10.619 -7.773) 13.160 30.393 ( 0.000 10.619 7.773) 13.160 31.452 ( 0.000 28.903 -10.401) 30.718 31.452 ( 0.000 28.903 10.401) 30.718 31.593 ( 0.000 17.322 -12.760) 21.514 31.593 ( 0.000 17.322 12.760) 21.514 33.029 ( 0.000 -3.862 -9.191) 9.970 33.029 ( 0.000 -3.862 9.191) 9.970 34.165 ( 0.000 -18.007 -21.533) 28.069 34.165 ( 0.000 -18.007 21.533) 28.069 35.199 ( 0.000 6.425 -9.607) 11.557 35.199 ( 0.000 6.425 9.607) 11.557 35.435 ( 0.000 3.003 -24.848) 25.029 35.435 ( 0.000 3.003 24.848) 25.029 ======================= Grid point 352 (116/126) ======================= q-point: ( 0.20 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.339 4.412 -2.808) 5.241 1.679 ( 0.339 4.412 2.808) 5.241 2.181 ( -0.504 -0.140 -1.799) 1.873 2.181 ( -0.504 -0.140 1.799) 1.873 2.677 ( 0.248 -5.845 -2.278) 6.278 2.677 ( 0.248 -5.845 2.278) 6.278 5.590 ( -10.840 2.934 -4.582) 12.128 5.590 ( -10.840 2.934 4.582) 12.128 6.358 ( 22.349 -4.944 -8.458) 24.402 6.358 ( 22.349 -4.944 8.458) 24.402 7.123 ( -5.244 18.340 -8.900) 21.049 7.123 ( -5.244 18.340 8.901) 21.049 8.512 ( -8.993 19.500 -13.534) 25.383 8.512 ( -8.993 19.500 13.534) 25.383 8.990 ( 0.304 29.483 -2.183) 29.565 8.990 ( 0.304 29.483 2.183) 29.565 9.302 ( 2.532 26.595 -12.320) 29.419 9.302 ( 2.532 26.595 12.320) 29.419 11.133 ( 4.697 -6.243 -6.776) 10.342 11.133 ( 4.697 -6.243 6.776) 10.342 12.062 ( -15.189 -7.445 -10.919) 20.134 12.062 ( -15.189 -7.445 10.919) 20.134 12.635 ( 10.949 0.882 -17.103) 20.326 12.635 ( 10.949 0.882 17.103) 20.326 14.096 ( -7.397 -1.148 -15.199) 16.943 14.096 ( -7.397 -1.148 15.199) 16.943 14.576 ( 11.877 7.061 -13.218) 19.122 14.576 ( 11.877 7.061 13.218) 19.122 15.369 ( -8.991 4.625 -14.748) 17.881 15.369 ( -8.991 4.625 14.748) 17.881 15.804 ( 5.554 6.590 -18.638) 20.534 15.804 ( 5.554 6.590 18.638) 20.534 17.216 ( 0.872 -22.170 -8.455) 23.743 17.216 ( 0.872 -22.170 8.455) 23.743 17.860 ( 0.296 -16.411 -4.131) 16.925 17.860 ( 0.296 -16.411 4.131) 16.925 18.922 ( -9.207 -16.048 -9.734) 20.906 18.922 ( -9.207 -16.048 9.734) 20.906 19.557 ( 10.725 -14.527 -2.375) 18.213 19.557 ( 10.725 -14.527 2.375) 18.213 20.406 ( -14.060 3.977 -11.264) 18.449 20.406 ( -14.060 3.977 11.264) 18.449 20.959 ( 11.969 12.994 -8.580) 19.640 20.959 ( 11.969 12.994 8.580) 19.640 22.482 ( -7.423 -0.838 -8.025) 10.963 22.482 ( -7.423 -0.838 8.025) 10.963 22.814 ( 9.025 2.799 -8.105) 12.449 22.814 ( 9.025 2.799 8.105) 12.449 24.456 ( -12.753 -1.983 -5.024) 13.849 24.456 ( -12.753 -1.983 5.024) 13.849 25.005 ( 14.509 3.058 -0.884) 14.854 25.005 ( 14.509 3.058 0.884) 14.854 26.803 ( -15.087 -13.307 -5.408) 20.831 26.803 ( -15.087 -13.307 5.408) 20.831 27.612 ( 10.114 -28.063 -7.459) 30.748 27.612 ( 10.114 -28.063 7.459) 30.748 29.668 ( -2.748 -0.030 -3.762) 4.659 29.668 ( -2.748 -0.030 3.762) 4.659 30.434 ( 3.802 8.543 -6.515) 11.397 30.434 ( 3.802 8.543 6.515) 11.397 31.365 ( -6.767 27.986 -4.024) 29.073 31.365 ( -6.767 27.986 4.024) 29.073 31.641 ( 3.071 19.703 -5.033) 20.567 31.641 ( 3.071 19.703 5.033) 20.567 33.048 ( 1.697 -5.183 -8.833) 10.381 33.048 ( 1.697 -5.183 8.833) 10.381 34.188 ( 2.245 -17.659 -18.769) 25.869 34.188 ( 2.245 -17.659 18.769) 25.869 35.185 ( -1.416 6.339 -9.880) 11.824 35.185 ( -1.416 6.339 9.880) 11.824 35.434 ( -0.065 3.403 -18.986) 19.289 35.434 ( -0.065 3.403 18.986) 19.289 ======================= Grid point 354 (117/126) ======================= q-point: ( 0.40 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 0.215 4.593 -2.632) 5.298 1.685 ( 0.215 4.593 2.632) 5.298 2.172 ( -0.320 0.115 -0.730) 0.805 2.172 ( -0.320 0.115 0.730) 0.805 2.681 ( 0.147 -5.690 -0.902) 5.763 2.681 ( 0.147 -5.690 0.902) 5.763 5.462 ( -3.231 1.458 -1.522) 3.858 5.462 ( -3.231 1.458 1.522) 3.858 6.694 ( 10.645 -2.913 -7.486) 13.336 6.694 ( 10.645 -2.913 7.486) 13.336 7.047 ( -1.662 17.010 -3.063) 17.363 7.047 ( -1.662 17.010 3.063) 17.363 8.331 ( -7.508 20.809 -5.389) 22.769 8.331 ( -7.508 20.809 5.389) 22.769 9.025 ( 2.149 26.469 -3.953) 26.849 9.025 ( 2.149 26.469 3.953) 26.849 9.313 ( -0.648 29.454 -6.313) 30.130 9.313 ( -0.648 29.454 6.313) 30.130 11.244 ( 5.511 -7.912 -3.186) 10.155 11.244 ( 5.511 -7.912 3.186) 10.155 11.819 ( -9.106 -9.522 -4.071) 13.790 11.819 ( -9.106 -9.522 4.071) 13.790 12.783 ( 4.454 4.552 -17.850) 18.952 12.783 ( 4.454 4.552 17.850) 18.952 13.989 ( -3.406 2.190 -5.268) 6.645 13.989 ( -3.406 2.190 5.268) 6.645 14.790 ( 9.243 6.358 -6.103) 12.772 14.790 ( 9.243 6.358 6.103) 12.772 15.196 ( -7.944 0.991 -16.147) 18.023 15.196 ( -7.944 0.991 16.147) 18.023 15.884 ( 2.459 7.984 -13.022) 15.471 15.884 ( 2.459 7.984 13.022) 15.471 17.236 ( 0.904 -22.505 -6.219) 23.366 17.236 ( 0.904 -22.505 6.219) 23.366 17.861 ( -0.134 -16.705 -3.517) 17.072 17.861 ( -0.134 -16.705 3.517) 17.072 18.786 ( -4.266 -16.779 -5.342) 18.118 18.786 ( -4.266 -16.779 5.342) 18.118 19.751 ( 8.572 -12.065 -5.774) 15.886 19.751 ( 8.572 -12.065 5.774) 15.886 20.172 ( -9.639 0.604 -7.913) 12.486 20.172 ( -9.639 0.604 7.913) 12.486 21.126 ( 5.179 15.411 -8.638) 18.411 21.126 ( 5.179 15.411 8.638) 18.411 22.381 ( -3.113 -2.725 -6.383) 7.606 22.381 ( -3.113 -2.725 6.383) 7.606 22.945 ( 4.213 4.417 -5.284) 8.073 22.945 ( 4.213 4.417 5.284) 8.073 24.279 ( -5.470 -3.099 -6.181) 8.817 24.279 ( -5.470 -3.099 6.181) 8.817 25.220 ( 7.242 5.003 -2.591) 9.176 25.220 ( 7.242 5.003 2.591) 9.176 26.562 ( -8.394 -15.258 -5.131) 18.155 26.562 ( -8.394 -15.258 5.131) 18.155 27.756 ( 4.381 -27.999 -3.661) 28.576 27.756 ( 4.381 -27.999 3.661) 28.576 29.623 ( -1.538 2.113 -2.834) 3.855 29.623 ( -1.538 2.113 2.834) 3.855 30.498 ( 2.262 4.989 -4.458) 7.063 30.498 ( 2.262 4.989 4.458) 7.063 31.263 ( -3.324 30.151 -2.044) 30.402 31.263 ( -3.324 30.151 2.044) 30.402 31.679 ( 1.010 20.405 -5.555) 21.172 31.679 ( 1.010 20.405 5.555) 21.172 33.075 ( 0.872 -7.149 -8.535) 11.168 33.075 ( 0.872 -7.149 8.535) 11.168 34.230 ( 1.622 -17.324 -12.254) 21.282 34.230 ( 1.622 -17.324 12.254) 21.282 35.157 ( -1.102 6.461 -13.041) 14.595 35.157 ( -1.102 6.461 13.041) 14.595 35.434 ( 0.039 3.950 -6.854) 7.910 35.434 ( 0.039 3.950 6.854) 7.910 ======================= Grid point 360 (118/126) ======================= q-point: ( 0.00 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.000 4.033 -3.555) 5.376 1.763 ( 0.000 4.033 3.555) 5.376 2.182 ( 0.000 -0.132 -1.954) 1.959 2.182 ( 0.000 -0.132 1.954) 1.959 2.555 ( 0.000 -5.412 -2.074) 5.796 2.555 ( 0.000 -5.412 2.074) 5.796 5.788 ( 0.000 -11.680 -9.729) 15.201 5.788 ( 0.000 -11.680 9.729) 15.201 6.065 ( 0.000 15.492 -10.147) 18.520 6.065 ( 0.000 15.492 10.147) 18.520 7.613 ( 0.000 22.864 -16.146) 27.990 7.613 ( 0.000 22.864 16.146) 27.990 8.917 ( 0.000 13.414 -23.154) 26.759 8.917 ( 0.000 13.414 23.154) 26.759 9.532 ( 0.000 18.179 -9.840) 20.671 9.532 ( 0.000 18.179 9.840) 20.671 9.891 ( 0.000 32.115 -11.416) 34.084 9.891 ( 0.000 32.115 11.416) 34.084 10.953 ( 0.000 -5.017 -8.964) 10.272 10.953 ( 0.000 -5.017 8.964) 10.273 12.289 ( 0.000 0.699 -20.195) 20.207 12.289 ( 0.000 0.699 20.195) 20.207 12.455 ( 0.000 6.791 -13.048) 14.710 12.455 ( 0.000 6.791 13.048) 14.710 14.017 ( 0.000 -8.360 -30.819) 31.932 14.017 ( 0.000 -8.360 30.819) 31.932 14.613 ( 0.000 3.421 -23.176) 23.427 14.613 ( 0.000 3.421 23.176) 23.427 15.700 ( 0.000 15.284 -23.178) 27.764 15.700 ( 0.000 15.284 23.178) 27.764 15.809 ( 0.000 1.927 -31.771) 31.829 15.809 ( 0.000 1.927 31.771) 31.829 16.803 ( 0.000 -15.447 -10.675) 18.777 16.803 ( 0.000 -15.447 10.675) 18.777 17.500 ( 0.000 -17.979 -6.245) 19.033 17.500 ( 0.000 -17.979 6.245) 19.033 18.725 ( 0.000 -15.628 -15.658) 22.123 18.725 ( 0.000 -15.628 15.658) 22.123 18.999 ( 0.000 -24.739 -8.179) 26.056 18.999 ( 0.000 -24.739 8.179) 26.056 20.749 ( 0.000 5.546 -13.128) 14.251 20.749 ( 0.000 5.546 13.128) 14.251 20.940 ( 0.000 6.309 -9.458) 11.369 20.940 ( 0.000 6.309 9.458) 11.370 22.513 ( 0.000 -5.865 -8.518) 10.341 22.513 ( 0.000 -5.865 8.518) 10.341 22.829 ( 0.000 9.783 -11.424) 15.041 22.829 ( 0.000 9.783 11.424) 15.041 24.523 ( 0.000 -9.697 -13.705) 16.789 24.523 ( 0.000 -9.697 13.705) 16.789 24.935 ( 0.000 10.131 -6.887) 12.250 24.935 ( 0.000 10.131 6.887) 12.250 26.800 ( 0.000 -7.131 -13.732) 15.473 26.800 ( 0.000 -7.131 13.732) 15.473 26.889 ( 0.000 -26.994 -12.835) 29.891 26.889 ( 0.000 -26.994 12.835) 29.891 29.664 ( 0.000 -1.749 -4.328) 4.668 29.664 ( 0.000 -1.749 4.328) 4.668 30.610 ( 0.000 10.244 -7.724) 12.829 30.610 ( 0.000 10.244 7.724) 12.829 31.954 ( 0.000 17.016 -14.052) 22.069 31.954 ( 0.000 17.016 14.052) 22.069 31.983 ( 0.000 21.700 -14.980) 26.369 31.983 ( 0.000 21.700 14.980) 26.369 32.977 ( 0.000 -0.495 -15.055) 15.063 32.977 ( 0.000 -0.495 15.055) 15.063 33.769 ( 0.000 -19.710 -19.791) 27.932 33.769 ( 0.000 -19.710 19.791) 27.932 35.329 ( 0.000 6.031 -12.624) 13.990 35.329 ( 0.000 6.031 12.624) 13.990 35.499 ( 0.000 3.109 -21.307) 21.533 35.499 ( 0.000 3.109 21.307) 21.533 ======================= Grid point 362 (119/126) ======================= q-point: ( 0.20 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 0.468 4.048 -3.418) 5.319 1.768 ( 0.468 4.048 3.418) 5.319 2.179 ( -0.252 -0.025 -1.591) 1.611 2.179 ( -0.252 -0.025 1.591) 1.611 2.559 ( 0.363 -5.391 -1.665) 5.654 2.559 ( 0.363 -5.391 1.665) 5.654 5.637 ( -8.606 0.498 -4.936) 9.933 5.637 ( -8.606 0.498 4.936) 9.933 6.325 ( 19.192 2.436 -6.468) 20.399 6.325 ( 19.192 2.436 6.468) 20.399 7.555 ( -5.334 23.239 -12.175) 26.772 7.555 ( -5.334 23.239 12.175) 26.772 8.823 ( -8.875 12.268 -13.762) 20.461 8.823 ( -8.875 12.268 13.762) 20.461 9.594 ( 5.490 24.282 -7.640) 26.041 9.594 ( 5.490 24.282 7.640) 26.041 9.890 ( -0.340 29.536 -9.903) 31.154 9.890 ( -0.340 29.536 9.903) 31.154 10.971 ( 1.961 -8.255 -6.900) 10.936 10.971 ( 1.961 -8.255 6.900) 10.936 12.013 ( -16.911 3.683 -9.578) 19.781 12.013 ( -16.911 3.683 9.578) 19.781 12.700 ( 13.842 4.869 -11.895) 18.889 12.700 ( 13.842 4.869 11.895) 18.889 13.991 ( -2.558 -6.816 -20.574) 21.824 13.991 ( -2.558 -6.816 20.574) 21.824 14.685 ( 7.200 1.387 -15.744) 17.367 14.685 ( 7.200 1.387 15.744) 17.367 15.552 ( -10.103 12.512 -9.892) 18.880 15.552 ( -10.103 12.512 9.892) 18.880 15.940 ( 8.197 6.714 -13.379) 17.066 15.940 ( 8.197 6.714 13.379) 17.066 16.811 ( 0.860 -15.489 -9.905) 18.406 16.811 ( 0.860 -15.489 9.905) 18.406 17.492 ( -0.842 -18.801 -6.865) 20.033 17.492 ( -0.842 -18.801 6.865) 20.033 18.575 ( -10.600 -17.904 -9.030) 22.681 18.575 ( -10.600 -17.904 9.030) 22.681 19.164 ( 12.415 -22.655 -3.269) 26.040 19.164 ( 12.415 -22.655 3.269) 26.040 20.499 ( -16.457 4.476 -11.285) 20.450 20.499 ( -16.457 4.476 11.285) 20.450 21.171 ( 14.505 7.586 -7.601) 18.047 21.171 ( 14.505 7.586 7.601) 18.047 22.418 ( -7.620 -4.428 -8.463) 12.219 22.418 ( -7.620 -4.428 8.463) 12.219 22.941 ( 9.153 8.406 -9.525) 15.658 22.941 ( 9.153 8.406 9.525) 15.658 24.376 ( -11.540 -6.009 -12.940) 18.349 24.376 ( -11.540 -6.009 12.940) 18.350 25.095 ( 13.061 5.850 -4.079) 14.881 25.095 ( 13.061 5.850 4.079) 14.881 26.538 ( -16.335 -12.650 -6.647) 21.703 26.538 ( -16.335 -12.650 6.647) 21.703 27.100 ( 11.100 -20.872 -5.667) 24.310 27.100 ( 11.100 -20.872 5.667) 24.310 29.650 ( -1.230 -1.429 -3.557) 4.025 29.650 ( -1.230 -1.429 3.557) 4.025 30.622 ( 1.073 9.358 -6.286) 11.324 30.622 ( 1.073 9.358 6.286) 11.324 31.874 ( -4.335 20.804 -4.100) 21.643 31.874 ( -4.335 20.804 4.100) 21.643 32.052 ( 3.344 19.280 -6.933) 20.759 32.052 ( 3.344 19.280 6.933) 20.759 32.964 ( -1.217 -2.403 -12.270) 12.562 32.964 ( -1.217 -2.403 12.270) 12.562 33.801 ( 2.973 -19.122 -15.349) 24.700 33.801 ( 2.973 -19.122 15.349) 24.700 35.314 ( -1.472 5.925 -11.593) 13.102 35.314 ( -1.472 5.925 11.593) 13.102 35.507 ( 0.648 3.515 -16.149) 16.539 35.507 ( 0.648 3.515 16.149) 16.540 ======================= Grid point 364 (120/126) ======================= q-point: ( 0.40 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.285 4.062 -3.200) 5.179 1.776 ( 0.285 4.062 3.200) 5.179 2.175 ( -0.151 0.154 -0.730) 0.761 2.175 ( -0.151 0.154 0.730) 0.761 2.565 ( 0.207 -5.361 -0.673) 5.407 2.565 ( 0.207 -5.361 0.673) 5.407 5.537 ( -2.446 5.265 -1.718) 6.054 5.537 ( -2.446 5.265 1.718) 6.054 6.617 ( 9.729 -4.130 -8.617) 13.637 6.617 ( 9.729 -4.130 8.617) 13.637 7.467 ( -2.905 23.109 -4.768) 23.774 7.467 ( -2.905 23.109 4.768) 23.774 8.663 ( -6.100 13.833 -6.374) 16.407 8.663 ( -6.100 13.833 6.374) 16.407 9.688 ( 3.597 32.626 -6.528) 33.466 9.688 ( 3.597 32.626 6.528) 33.466 9.874 ( -1.081 24.527 -6.396) 25.370 9.874 ( -1.081 24.527 6.396) 25.370 11.013 ( 1.847 -14.889 -2.485) 15.207 11.013 ( 1.847 -14.889 2.485) 15.207 11.775 ( -7.466 7.142 -4.641) 11.327 11.775 ( -7.466 7.142 4.641) 11.327 12.881 ( 5.191 4.261 -10.584) 12.535 12.881 ( 5.191 4.261 10.584) 12.535 13.945 ( -1.663 -4.542 -7.289) 8.748 13.945 ( -1.663 -4.542 7.289) 8.748 14.830 ( 6.254 -3.199 -6.866) 9.823 14.830 ( 6.254 -3.199 6.866) 9.823 15.386 ( -6.417 16.108 -6.596) 18.551 15.386 ( -6.417 16.108 6.596) 18.551 16.054 ( 3.454 8.401 -6.421) 11.124 16.054 ( 3.454 8.401 6.421) 11.124 16.829 ( 0.803 -15.608 -8.805) 17.939 16.829 ( 0.803 -15.608 8.805) 17.939 17.473 ( -0.863 -20.315 -7.598) 21.706 17.473 ( -0.863 -20.315 7.598) 21.706 18.426 ( -4.536 -18.478 -5.552) 19.820 18.426 ( -4.536 -18.478 5.552) 19.820 19.363 ( 7.203 -23.304 -3.502) 24.641 19.363 ( 7.203 -23.304 3.502) 24.641 20.248 ( -8.730 4.751 -9.653) 13.855 20.248 ( -8.730 4.751 9.653) 13.855 21.378 ( 6.569 8.994 -6.587) 12.939 21.378 ( 6.569 8.994 6.587) 12.939 22.299 ( -4.113 -4.878 -7.442) 9.803 22.299 ( -4.113 -4.878 7.442) 9.803 23.087 ( 5.092 8.896 -4.853) 11.341 23.087 ( 5.092 8.896 4.853) 11.341 24.198 ( -5.966 -5.181 -14.052) 16.121 24.198 ( -5.966 -5.181 14.052) 16.121 25.311 ( 8.019 3.935 -4.854) 10.166 25.311 ( 8.019 3.935 4.854) 10.166 26.283 ( -9.088 -11.425 -9.076) 17.190 26.283 ( -9.088 -11.425 9.076) 17.190 27.245 ( 4.182 -21.337 -5.530) 22.435 27.245 ( 4.182 -21.337 5.530) 22.435 29.630 ( -0.698 -0.949 -2.215) 2.509 29.630 ( -0.698 -0.949 2.215) 2.509 30.638 ( 0.498 7.949 -3.323) 8.630 30.638 ( 0.498 7.949 3.323) 8.630 31.819 ( -1.514 22.945 -2.099) 23.091 31.819 ( -1.514 22.945 2.099) 23.091 32.091 ( 0.970 19.276 -9.435) 21.483 32.091 ( 0.970 19.276 9.435) 21.483 32.944 ( -0.668 -5.046 -8.742) 10.116 32.944 ( -0.668 -5.046 8.742) 10.116 33.852 ( 1.807 -18.580 -5.645) 19.502 33.852 ( 1.807 -18.580 5.645) 19.502 35.288 ( -0.909 6.004 -12.164) 13.595 35.288 ( -0.909 6.004 12.164) 13.595 35.517 ( 0.360 3.985 -8.506) 9.400 35.517 ( 0.360 3.985 8.506) 9.400 ======================= Grid point 370 (121/126) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 0.000 2.610 -3.056) 4.019 1.832 ( 0.000 2.610 3.056) 4.019 2.181 ( 0.000 0.013 -1.844) 1.844 2.181 ( 0.000 0.013 1.844) 1.844 2.462 ( 0.000 -3.558 -1.446) 3.841 2.462 ( 0.000 -3.558 1.446) 3.841 5.582 ( 0.000 -8.165 -6.843) 10.653 5.582 ( 0.000 -8.165 6.843) 10.653 6.377 ( 0.000 13.955 -10.573) 17.508 6.377 ( 0.000 13.955 10.573) 17.508 8.088 ( 0.000 22.862 -18.869) 29.643 8.088 ( 0.000 22.862 18.869) 29.643 9.143 ( 0.000 8.475 -17.701) 19.626 9.143 ( 0.000 8.475 17.701) 19.626 9.647 ( 0.000 -6.091 -4.580) 7.621 9.647 ( 0.000 -6.091 4.581) 7.621 10.478 ( 0.000 23.994 -15.486) 28.557 10.478 ( 0.000 23.994 15.486) 28.557 10.966 ( 0.000 5.613 -9.610) 11.129 10.966 ( 0.000 5.613 9.610) 11.129 12.298 ( 0.000 -0.398 -25.877) 25.880 12.298 ( 0.000 -0.398 25.877) 25.880 12.695 ( 0.000 15.198 -14.190) 20.792 12.695 ( 0.000 15.198 14.190) 20.792 13.884 ( 0.000 -4.289 -22.128) 22.540 13.884 ( 0.000 -4.289 22.128) 22.540 14.585 ( 0.000 -5.249 -17.521) 18.291 14.585 ( 0.000 -5.249 17.521) 18.291 15.776 ( 0.000 -4.824 -38.429) 38.731 15.776 ( 0.000 -4.824 38.429) 38.731 16.059 ( 0.000 18.538 -27.483) 33.151 16.059 ( 0.000 18.538 27.483) 33.151 16.659 ( 0.000 1.925 -12.002) 12.155 16.659 ( 0.000 1.925 12.002) 12.155 17.151 ( 0.000 -15.643 -9.170) 18.132 17.151 ( 0.000 -15.643 9.170) 18.132 18.420 ( 0.000 -13.566 -17.806) 22.385 18.420 ( 0.000 -13.566 17.806) 22.385 18.458 ( 0.000 -27.055 -10.192) 28.911 18.458 ( 0.000 -27.055 10.192) 28.911 20.835 ( 0.000 2.942 -7.579) 8.130 20.835 ( 0.000 2.942 7.579) 8.130 21.027 ( 0.000 2.451 -8.681) 9.020 21.027 ( 0.000 2.451 8.681) 9.020 22.417 ( 0.000 -3.491 -7.855) 8.596 22.417 ( 0.000 -3.491 7.855) 8.596 23.011 ( 0.000 7.548 -10.125) 12.629 23.011 ( 0.000 7.548 10.125) 12.629 24.322 ( 0.000 -9.239 -15.843) 18.340 24.322 ( 0.000 -9.239 15.843) 18.340 25.151 ( 0.000 10.803 -7.102) 12.928 25.151 ( 0.000 10.803 7.102) 12.928 26.395 ( 0.000 -21.042 -12.464) 24.457 26.395 ( 0.000 -21.042 12.464) 24.457 26.702 ( 0.000 -2.775 -16.869) 17.095 26.702 ( 0.000 -2.775 16.869) 17.095 29.631 ( 0.000 -1.347 -4.161) 4.374 29.631 ( 0.000 -1.347 4.161) 4.374 30.796 ( 0.000 7.668 -7.410) 10.663 30.796 ( 0.000 7.668 7.410) 10.663 32.253 ( 0.000 11.654 -15.510) 19.400 32.253 ( 0.000 11.654 15.510) 19.400 32.298 ( 0.000 9.111 -18.549) 20.665 32.298 ( 0.000 9.111 18.549) 20.665 33.027 ( 0.000 4.994 -19.425) 20.057 33.027 ( 0.000 4.994 19.425) 20.057 33.404 ( 0.000 -15.082 -16.924) 22.669 33.404 ( 0.000 -15.082 16.924) 22.669 35.434 ( 0.000 4.063 -14.538) 15.095 35.434 ( 0.000 4.063 14.538) 15.095 35.555 ( 0.000 2.194 -17.592) 17.729 35.555 ( 0.000 2.194 17.592) 17.729 ======================= Grid point 372 (122/126) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 0.410 2.553 -2.944) 3.919 1.836 ( 0.410 2.553 2.944) 3.919 2.180 ( -0.085 0.083 -1.496) 1.501 2.180 ( -0.085 0.083 1.496) 1.501 2.466 ( 0.361 -3.572 -1.240) 3.798 2.466 ( 0.361 -3.572 1.240) 3.798 5.605 ( 2.349 -2.832 -5.333) 6.479 5.605 ( 2.349 -2.832 5.333) 6.479 6.438 ( 5.687 7.166 -8.327) 12.371 6.438 ( 5.687 7.166 8.327) 12.371 8.035 ( -5.145 22.717 -13.816) 27.082 8.035 ( -5.145 22.717 13.816) 27.082 9.044 ( -7.137 9.383 -6.777) 13.598 9.044 ( -7.137 9.383 6.777) 13.598 9.795 ( 11.951 -3.125 -6.415) 13.919 9.795 ( 11.951 -3.125 6.416) 13.919 10.471 ( -0.397 22.458 -14.953) 26.984 10.471 ( -0.397 22.458 14.953) 26.984 10.889 ( -7.664 3.490 -6.387) 10.569 10.889 ( -7.664 3.490 6.387) 10.569 12.148 ( -10.546 5.642 -16.323) 20.236 12.148 ( -10.546 5.642 16.323) 20.236 12.839 ( 9.894 9.548 -8.063) 15.940 12.839 ( 9.894 9.548 8.063) 15.940 13.881 ( -0.203 -3.005 -15.478) 15.768 13.881 ( -0.203 -3.005 15.478) 15.768 14.628 ( 4.296 -6.170 -14.251) 16.112 14.628 ( 4.296 -6.170 14.251) 16.112 15.748 ( -2.541 3.036 -25.358) 25.665 15.748 ( -2.541 3.036 25.358) 25.665 16.114 ( 5.063 12.042 -24.087) 27.401 16.114 ( 5.063 12.042 24.087) 27.401 16.667 ( 0.835 2.103 -7.520) 7.853 16.667 ( 0.835 2.103 7.520) 7.853 17.128 ( -2.431 -15.994 -9.202) 18.612 17.128 ( -2.431 -15.994 9.202) 18.612 18.193 ( -11.704 -19.468 -8.547) 24.271 18.193 ( -11.704 -19.468 8.547) 24.271 18.694 ( 12.739 -21.596 -3.587) 25.329 18.694 ( 12.739 -21.596 3.587) 25.329 20.573 ( -16.730 2.705 -8.328) 18.883 20.573 ( -16.730 2.705 8.328) 18.883 21.275 ( 15.596 2.971 -6.014) 16.977 21.275 ( 15.596 2.971 6.014) 16.977 22.336 ( -7.354 -3.207 -7.383) 10.903 22.336 ( -7.354 -3.207 7.383) 10.903 23.109 ( 8.924 7.191 -8.710) 14.395 23.109 ( 8.924 7.191 8.710) 14.395 24.227 ( -8.867 -7.730 -15.708) 19.624 24.227 ( -8.867 -7.730 15.708) 19.624 25.241 ( 8.443 8.184 -4.595) 12.624 25.241 ( 8.443 8.184 4.595) 12.624 26.266 ( -10.651 -13.969 -5.641) 18.450 26.266 ( -10.651 -13.969 5.641) 18.450 26.800 ( 7.479 -8.515 -9.287) 14.652 26.800 ( 7.479 -8.515 9.287) 14.652 29.620 ( -1.026 -1.352 -3.343) 3.749 29.620 ( -1.026 -1.352 3.343) 3.749 30.795 ( -0.183 7.137 -5.954) 9.296 30.795 ( -0.183 7.137 5.954) 9.296 32.204 ( -2.555 11.625 -5.702) 13.198 32.204 ( -2.555 11.625 5.702) 13.198 32.362 ( 4.039 10.010 -9.440) 14.339 32.362 ( 4.039 10.010 9.440) 14.339 32.973 ( -4.666 3.313 -13.504) 14.667 32.973 ( -4.666 3.313 13.504) 14.667 33.451 ( 3.953 -14.238 -11.691) 18.842 33.451 ( 3.953 -14.238 11.691) 18.842 35.417 ( -1.487 4.048 -11.701) 12.471 35.417 ( -1.487 4.048 11.701) 12.471 35.569 ( 1.181 2.427 -13.143) 13.418 35.569 ( 1.181 2.427 13.143) 13.418 ======================= Grid point 374 (123/126) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 0.243 2.460 -2.762) 3.707 1.843 ( 0.243 2.460 2.762) 3.707 2.178 ( -0.046 0.194 -0.666) 0.695 2.178 ( -0.046 0.194 0.666) 0.695 2.472 ( 0.204 -3.593 -0.822) 3.691 2.472 ( 0.204 -3.593 0.822) 3.691 5.650 ( 1.777 5.228 -1.960) 5.859 5.650 ( 1.777 5.228 1.960) 5.859 6.535 ( 3.424 -3.763 -6.758) 8.459 6.535 ( 3.424 -3.763 6.758) 8.459 7.941 ( -3.506 21.985 -4.359) 22.685 7.941 ( -3.506 21.985 4.359) 22.685 8.953 ( -2.410 14.630 -5.098) 15.679 8.953 ( -2.410 14.630 5.098) 15.679 9.974 ( 5.722 0.549 -4.722) 7.439 9.974 ( 5.722 0.549 4.722) 7.439 10.480 ( 1.429 18.371 -12.555) 22.298 10.480 ( 1.429 18.371 12.555) 22.298 10.736 ( -6.783 0.236 -4.838) 8.335 10.736 ( -6.783 0.236 4.838) 8.335 12.008 ( -3.951 9.617 -11.520) 15.518 12.008 ( -3.951 9.617 11.520) 15.518 12.966 ( 3.430 5.670 -4.093) 7.789 12.966 ( 3.430 5.670 4.093) 7.789 13.879 ( -0.040 -0.774 -4.525) 4.590 13.879 ( -0.040 -0.774 4.525) 4.590 14.709 ( 3.133 -7.916 -9.228) 12.555 14.709 ( 3.133 -7.916 9.228) 12.555 15.705 ( -1.536 12.118 -16.227) 20.310 15.705 ( -1.536 12.118 16.227) 20.311 16.200 ( 3.015 5.449 -36.251) 36.782 16.200 ( 3.015 5.449 36.251) 36.782 16.687 ( 0.985 2.990 -1.533) 3.502 16.687 ( 0.985 2.990 1.533) 3.502 17.076 ( -2.288 -17.029 -9.935) 19.848 17.076 ( -2.288 -17.029 9.935) 19.848 18.036 ( -4.621 -19.654 -8.760) 22.009 18.036 ( -4.621 -19.654 8.760) 22.009 18.877 ( 5.990 -22.475 -2.209) 23.364 18.877 ( 5.990 -22.475 2.209) 23.364 20.331 ( -7.844 3.113 -7.372) 11.205 20.331 ( -7.844 3.113 7.372) 11.205 21.503 ( 7.650 3.802 -4.229) 9.533 21.503 ( 7.650 3.802 4.229) 9.533 22.206 ( -5.050 -3.767 -6.075) 8.752 22.206 ( -5.050 -3.767 6.075) 8.752 23.266 ( 6.038 7.705 -4.110) 10.617 23.266 ( 6.038 7.705 4.110) 10.617 24.068 ( -6.104 -7.009 -16.105) 18.594 24.068 ( -6.104 -7.009 16.105) 18.594 25.397 ( 6.250 4.833 -2.533) 8.297 25.397 ( 6.250 4.833 2.533) 8.297 26.086 ( -6.886 -8.637 -10.446) 15.203 26.086 ( -6.886 -8.637 10.446) 15.203 26.909 ( 3.371 -11.361 -6.461) 13.498 26.909 ( 3.371 -11.361 6.461) 13.498 29.603 ( -0.591 -1.380 -1.633) 2.218 29.603 ( -0.591 -1.380 1.633) 2.218 30.790 ( -0.251 6.311 -2.565) 6.817 30.790 ( -0.251 6.311 2.565) 6.817 32.175 ( -0.641 12.185 -2.297) 12.416 32.175 ( -0.641 12.185 2.297) 12.416 32.419 ( 1.770 11.217 -9.316) 14.688 32.419 ( 1.770 11.217 9.316) 14.688 32.899 ( -2.500 1.415 -5.604) 6.297 32.899 ( -2.500 1.415 5.604) 6.297 33.511 ( 1.928 -14.089 -6.925) 15.817 33.511 ( 1.928 -14.089 6.925) 15.817 35.394 ( -0.765 4.198 -10.039) 10.909 35.394 ( -0.765 4.198 10.039) 10.909 35.587 ( 0.571 2.650 -8.759) 9.169 35.587 ( 0.571 2.650 8.759) 9.169 ======================= Grid point 380 (124/126) ======================= q-point: ( 0.00 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 0.858 -1.378) 1.623 1.867 ( 0.000 0.858 1.378) 1.623 2.181 ( 0.000 0.028 -1.832) 1.832 2.181 ( 0.000 0.028 1.832) 1.832 2.413 ( 0.000 -1.214 -0.699) 1.401 2.413 ( 0.000 -1.214 0.699) 1.401 5.466 ( 0.000 -2.940 -4.606) 5.465 5.466 ( 0.000 -2.940 4.606) 5.465 6.588 ( 0.000 5.706 -12.249) 13.513 6.588 ( 0.000 5.706 12.249) 13.513 8.487 ( 0.000 13.520 -20.965) 24.947 8.487 ( 0.000 13.520 20.965) 24.947 9.257 ( 0.000 2.684 -9.643) 10.009 9.257 ( 0.000 2.684 9.643) 10.009 9.435 ( 0.000 -9.832 -2.208) 10.077 9.435 ( 0.000 -9.832 2.208) 10.077 10.829 ( 0.000 9.441 -15.128) 17.832 10.829 ( 0.000 9.441 15.128) 17.832 11.080 ( 0.000 3.565 -10.621) 11.204 11.080 ( 0.000 3.565 10.621) 11.204 12.270 ( 0.000 -1.577 -19.791) 19.853 12.270 ( 0.000 -1.577 19.791) 19.853 12.978 ( 0.000 9.345 -10.986) 14.423 12.978 ( 0.000 9.345 10.986) 14.423 13.840 ( 0.000 -0.556 -15.931) 15.940 13.840 ( 0.000 -0.556 15.931) 15.940 14.460 ( 0.000 -4.882 -8.055) 9.419 14.460 ( 0.000 -4.882 8.055) 9.419 15.677 ( 0.000 -3.234 -40.274) 40.404 15.677 ( 0.000 -3.234 40.274) 40.404 16.392 ( 0.000 11.887 -37.756) 39.583 16.392 ( 0.000 11.887 37.756) 39.583 16.800 ( 0.000 7.747 -8.183) 11.269 16.800 ( 0.000 7.747 8.183) 11.269 16.884 ( 0.000 -9.436 -7.181) 11.858 16.884 ( 0.000 -9.436 7.181) 11.858 17.983 ( 0.000 -15.797 -7.832) 17.632 17.983 ( 0.000 -15.797 7.832) 17.632 18.210 ( 0.000 -5.958 -19.668) 20.551 18.210 ( 0.000 -5.958 19.669) 20.551 20.873 ( 0.000 0.866 -3.779) 3.877 20.873 ( 0.000 0.866 3.779) 3.877 21.054 ( 0.000 0.500 -6.807) 6.825 21.054 ( 0.000 0.500 6.807) 6.825 22.371 ( 0.000 -1.102 -7.158) 7.242 22.371 ( 0.000 -1.102 7.158) 7.242 23.120 ( 0.000 2.823 -8.382) 8.845 23.120 ( 0.000 2.823 8.382) 8.845 24.180 ( 0.000 -3.886 -15.951) 16.418 24.180 ( 0.000 -3.886 15.951) 16.418 25.348 ( 0.000 6.961 -9.738) 11.970 25.348 ( 0.000 6.961 9.738) 11.970 26.058 ( 0.000 -10.374 -13.952) 17.386 26.058 ( 0.000 -10.374 13.952) 17.386 26.672 ( 0.000 -0.532 -18.172) 18.180 26.672 ( 0.000 -0.532 18.172) 18.180 29.612 ( 0.000 -0.503 -3.937) 3.969 29.612 ( 0.000 -0.503 3.937) 3.969 30.908 ( 0.000 2.957 -7.518) 8.078 30.908 ( 0.000 2.957 7.518) 8.078 32.396 ( 0.000 1.708 -17.512) 17.595 32.396 ( 0.000 1.708 17.512) 17.595 32.413 ( 0.000 3.912 -15.626) 16.108 32.413 ( 0.000 3.912 15.626) 16.108 33.127 ( 0.000 3.252 -18.541) 18.824 33.127 ( 0.000 3.252 18.541) 18.824 33.188 ( 0.000 -5.548 -11.873) 13.105 33.188 ( 0.000 -5.548 11.873) 13.105 35.491 ( 0.000 1.407 -15.460) 15.523 35.491 ( 0.000 1.407 15.460) 15.523 35.586 ( 0.000 0.778 -15.560) 15.579 35.586 ( 0.000 0.778 15.560) 15.579 ======================= Grid point 382 (125/126) ======================= q-point: ( 0.20 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 0.314 0.826 -1.293) 1.566 1.871 ( 0.314 0.826 1.293) 1.566 2.181 ( 0.012 0.057 -1.472) 1.473 2.181 ( 0.012 0.057 1.472) 1.473 2.417 ( 0.337 -1.222 -0.615) 1.409 2.417 ( 0.337 -1.222 0.615) 1.409 5.556 ( 8.899 -1.470 -3.249) 9.587 5.556 ( 8.899 -1.470 3.249) 9.587 6.557 ( -3.442 3.411 -10.506) 11.570 6.557 ( -3.442 3.411 10.506) 11.570 8.414 ( -7.045 11.852 -14.827) 20.247 8.414 ( -7.045 11.852 14.827) 20.247 9.190 ( -1.206 4.376 -4.363) 6.297 9.190 ( -1.206 4.377 4.363) 6.297 9.633 ( 14.679 -7.949 -5.609) 17.610 9.633 ( 14.679 -7.949 5.609) 17.610 10.662 ( -15.150 1.495 -16.184) 22.218 10.662 ( -15.150 1.495 16.184) 22.218 11.135 ( 3.855 12.025 -7.360) 14.616 11.135 ( 3.855 12.025 7.360) 14.616 12.157 ( -9.393 -2.799 -15.726) 18.531 12.157 ( -9.393 -2.799 15.726) 18.531 13.054 ( 5.652 8.043 -6.092) 11.565 13.054 ( 5.652 8.043 6.092) 11.565 13.871 ( 2.902 1.127 -11.430) 11.846 13.871 ( 2.902 1.127 11.430) 11.846 14.486 ( 2.712 -5.690 -6.778) 9.256 14.486 ( 2.712 -5.690 6.778) 9.256 15.727 ( 5.065 -1.939 -33.867) 34.298 15.727 ( 5.065 -1.939 33.867) 34.298 16.382 ( -1.671 11.375 -32.294) 34.280 16.382 ( -1.671 11.375 32.294) 34.280 16.726 ( -4.633 -4.738 -9.488) 11.574 16.726 ( -4.633 -4.738 9.488) 11.574 16.955 ( 4.849 3.771 -5.346) 8.144 16.955 ( 4.849 3.771 5.347) 8.144 17.815 ( -11.939 -14.426 -8.652) 20.628 17.815 ( -11.939 -14.425 8.652) 20.628 18.367 ( 11.020 -8.733 -7.544) 15.956 18.367 ( 11.020 -8.733 7.544) 15.956 20.609 ( -16.549 0.846 -4.693) 17.223 20.609 ( -16.549 0.846 4.693) 17.223 21.309 ( 16.019 0.666 -4.664) 16.698 21.309 ( 16.019 0.666 4.664) 16.698 22.293 ( -7.363 -1.032 -6.042) 9.580 22.293 ( -7.363 -1.032 6.042) 9.580 23.211 ( 8.692 2.620 -7.835) 11.992 23.211 ( 8.692 2.620 7.835) 11.992 24.103 ( -7.655 -3.519 -14.507) 16.776 24.103 ( -7.655 -3.519 14.507) 16.776 25.400 ( 5.106 5.851 -7.919) 11.091 25.400 ( 5.106 5.851 7.919) 11.091 26.017 ( -4.225 -8.341 -8.566) 12.681 26.017 ( -4.225 -8.341 8.566) 12.681 26.709 ( 3.510 -1.652 -12.992) 13.559 26.709 ( 3.510 -1.652 12.992) 13.559 29.600 ( -1.083 -0.526 -3.101) 3.327 29.600 ( -1.083 -0.526 3.101) 3.327 30.899 ( -0.963 2.707 -6.025) 6.675 30.899 ( -0.963 2.707 6.025) 6.675 32.354 ( -1.871 3.411 -0.980) 4.011 32.354 ( -1.871 3.411 0.980) 4.011 32.474 ( 3.810 2.050 -2.840) 5.175 32.474 ( 3.810 2.050 2.840) 5.175 33.056 ( -4.672 3.238 -8.970) 10.619 33.056 ( -4.672 3.238 8.970) 10.619 33.248 ( 3.615 -5.310 -5.974) 8.773 33.248 ( 3.615 -5.310 5.974) 8.773 35.474 ( -1.339 1.470 -9.880) 10.078 35.474 ( -1.339 1.470 9.880) 10.078 35.602 ( 1.343 0.804 -9.883) 10.006 35.602 ( 1.343 0.804 9.883) 10.006 ======================= Grid point 384 (126/126) ======================= q-point: ( 0.40 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.94e-05 1.94e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.184 0.777 -1.133) 1.386 1.876 ( 0.184 0.777 1.133) 1.386 2.182 ( 0.011 0.101 -0.571) 0.579 2.182 ( 0.011 0.101 0.571) 0.579 2.422 ( 0.191 -1.233 -0.440) 1.323 2.422 ( 0.191 -1.233 0.440) 1.323 5.731 ( 7.350 2.250 -0.971) 7.748 5.731 ( 7.350 2.250 0.971) 7.748 6.475 ( -4.052 -1.763 -5.213) 6.834 6.475 ( -4.052 -1.763 5.213) 6.834 8.292 ( -4.294 10.254 -4.803) 12.110 8.292 ( -4.294 10.254 4.803) 12.110 9.219 ( 2.298 9.242 -5.474) 10.984 9.219 ( 2.297 9.242 5.474) 10.984 9.890 ( 11.543 -5.585 -5.070) 13.789 9.890 ( 11.543 -5.585 5.070) 13.789 10.365 ( -13.925 -6.961 -8.085) 17.542 10.365 ( -13.925 -6.961 8.085) 17.542 11.189 ( 1.644 19.686 -11.400) 22.808 11.189 ( 1.644 19.686 11.400) 22.808 12.015 ( -4.570 -6.252 -13.333) 15.419 12.015 ( -4.570 -6.252 13.333) 15.419 13.125 ( 1.841 6.787 -1.627) 7.218 13.125 ( 1.841 6.787 1.628) 7.218 13.919 ( 1.573 3.346 -3.369) 5.003 13.919 ( 1.573 3.346 3.369) 5.003 14.540 ( 2.222 -6.734 -4.621) 8.464 14.540 ( 2.222 -6.734 4.621) 8.464 15.833 ( 4.792 1.738 -18.068) 18.774 15.833 ( 4.792 1.738 18.068) 18.774 16.321 ( -3.677 6.428 -32.969) 33.791 16.321 ( -3.677 6.428 32.969) 33.791 16.674 ( -1.059 -8.857 -19.365) 21.321 16.674 ( -1.059 -8.857 19.366) 21.321 17.030 ( 2.600 13.429 -10.967) 17.532 17.030 ( 2.600 13.429 10.967) 17.532 17.637 ( -5.922 -17.604 -12.107) 22.171 17.637 ( -5.922 -17.604 12.107) 22.171 18.529 ( 5.249 -9.664 -1.759) 11.137 18.529 ( 5.249 -9.664 1.759) 11.137 20.373 ( -7.488 1.018 -3.203) 8.208 20.373 ( -7.488 1.018 3.203) 8.208 21.549 ( 8.421 0.993 -2.512) 8.844 21.549 ( 8.421 0.993 2.512) 8.844 22.154 ( -5.774 -1.259 -3.424) 6.830 22.154 ( -5.774 -1.259 3.424) 6.830 23.375 ( 6.814 2.732 -4.882) 8.817 23.375 ( 6.814 2.732 4.882) 8.817 23.952 ( -6.470 -3.398 -9.977) 12.367 23.952 ( -6.470 -3.398 9.977) 12.367 25.500 ( 4.261 4.174 -2.986) 6.670 25.500 ( 4.261 4.174 2.986) 6.670 25.930 ( -3.882 -5.522 -5.441) 8.670 25.930 ( -3.882 -5.522 5.441) 8.670 26.770 ( 2.197 -2.928 -4.812) 6.046 26.770 ( 2.197 -2.928 4.812) 6.046 29.582 ( -0.643 -0.575 -1.188) 1.468 29.582 ( -0.643 -0.575 1.188) 1.468 30.880 ( -0.703 2.327 -2.296) 3.343 30.880 ( -0.703 2.327 2.296) 3.343 32.333 ( -0.484 3.696 -1.045) 3.872 32.333 ( -0.484 3.696 1.045) 3.872 32.532 ( 1.990 1.411 -3.720) 4.449 32.532 ( 1.990 1.411 3.720) 4.449 32.988 ( -2.244 4.967 -4.710) 7.204 32.988 ( -2.244 4.967 4.710) 7.204 33.295 ( 1.338 -6.602 -6.469) 9.339 33.295 ( 1.338 -6.602 6.469) 9.339 35.454 ( -0.624 1.596 -4.924) 5.214 35.454 ( -0.624 1.596 4.924) 5.214 35.622 ( 0.629 0.821 -4.681) 4.794 35.622 ( 0.629 0.821 4.681) 4.794 =================== 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 3/47520 10.0 892.085 696.326 826.267 0.000 0.000 0.000 3/47520 20.0 166.756 195.532 183.352 0.000 0.000 0.000 3/47520 30.0 92.259 138.312 125.066 0.000 0.000 0.000 3/47520 40.0 64.700 99.273 91.232 0.000 0.000 0.000 3/47520 50.0 49.208 73.601 69.029 0.000 0.000 0.000 3/47520 60.0 39.411 57.191 54.623 0.000 0.000 0.000 3/47520 70.0 32.804 46.546 45.059 0.000 0.000 0.000 3/47520 80.0 28.115 39.397 38.441 0.000 0.000 0.000 3/47520 90.0 24.641 34.381 33.648 0.000 0.000 0.000 3/47520 100.0 21.971 30.693 30.024 0.000 0.000 0.000 3/47520 110.0 19.855 27.859 27.181 0.000 0.000 0.000 3/47520 120.0 18.134 25.593 24.878 0.000 0.000 0.000 3/47520 130.0 16.702 23.720 22.965 0.000 0.000 0.000 3/47520 140.0 15.488 22.132 21.344 0.000 0.000 0.000 3/47520 150.0 14.443 20.757 19.946 0.000 0.000 0.000 3/47520 160.0 13.532 19.547 18.726 0.000 0.000 0.000 3/47520 170.0 12.729 18.471 17.649 0.000 0.000 0.000 3/47520 180.0 12.014 17.505 16.690 0.000 0.000 0.000 3/47520 190.0 11.373 16.630 15.831 0.000 0.000 0.000 3/47520 200.0 10.795 15.835 15.055 0.000 0.000 0.000 3/47520 210.0 10.271 15.108 14.353 0.000 0.000 0.000 3/47520 220.0 9.793 14.442 13.713 0.000 0.000 0.000 3/47520 230.0 9.356 13.828 13.128 0.000 0.000 0.000 3/47520 240.0 8.954 13.262 12.591 0.000 0.000 0.000 3/47520 250.0 8.584 12.738 12.096 0.000 0.000 0.000 3/47520 260.0 8.243 12.252 11.640 0.000 0.000 0.000 3/47520 270.0 7.926 11.800 11.218 0.000 0.000 0.000 3/47520 280.0 7.632 11.379 10.825 0.000 0.000 0.000 3/47520 290.0 7.359 10.986 10.460 0.000 0.000 0.000 3/47520 300.0 7.104 10.619 10.120 0.000 0.000 0.000 3/47520 310.0 6.865 10.275 9.801 0.000 0.000 0.000 3/47520 320.0 6.642 9.953 9.503 0.000 0.000 0.000 3/47520 330.0 6.433 9.650 9.223 0.000 0.000 0.000 3/47520 340.0 6.236 9.364 8.959 0.000 0.000 0.000 3/47520 350.0 6.051 9.095 8.711 0.000 0.000 0.000 3/47520 360.0 5.876 8.841 8.477 0.000 0.000 0.000 3/47520 370.0 5.711 8.601 8.256 0.000 0.000 0.000 3/47520 380.0 5.556 8.374 8.046 0.000 0.000 0.000 3/47520 390.0 5.408 8.159 7.847 0.000 0.000 0.000 3/47520 400.0 5.268 7.954 7.658 0.000 0.000 0.000 3/47520 410.0 5.135 7.760 7.479 0.000 0.000 0.000 3/47520 420.0 5.009 7.575 7.308 0.000 0.000 0.000 3/47520 430.0 4.889 7.398 7.145 0.000 0.000 0.000 3/47520 440.0 4.775 7.230 6.989 0.000 0.000 0.000 3/47520 450.0 4.666 7.070 6.840 0.000 0.000 0.000 3/47520 460.0 4.562 6.917 6.698 0.000 0.000 0.000 3/47520 470.0 4.462 6.770 6.562 0.000 0.000 0.000 3/47520 480.0 4.367 6.629 6.431 0.000 0.000 0.000 3/47520 490.0 4.276 6.495 6.306 0.000 0.000 0.000 3/47520 500.0 4.188 6.366 6.186 0.000 0.000 0.000 3/47520 510.0 4.105 6.242 6.070 0.000 0.000 0.000 3/47520 520.0 4.024 6.122 5.959 0.000 0.000 0.000 3/47520 530.0 3.947 6.008 5.851 0.000 0.000 0.000 3/47520 540.0 3.872 5.897 5.748 0.000 0.000 0.000 3/47520 550.0 3.801 5.791 5.649 0.000 0.000 0.000 3/47520 560.0 3.732 5.689 5.552 0.000 0.000 0.000 3/47520 570.0 3.665 5.590 5.460 0.000 0.000 0.000 3/47520 580.0 3.601 5.495 5.370 0.000 0.000 0.000 3/47520 590.0 3.540 5.402 5.283 0.000 0.000 0.000 3/47520 600.0 3.480 5.313 5.199 0.000 0.000 0.000 3/47520 610.0 3.422 5.227 5.118 0.000 0.000 0.000 3/47520 620.0 3.366 5.144 5.039 0.000 0.000 0.000 3/47520 630.0 3.312 5.063 4.963 0.000 0.000 0.000 3/47520 640.0 3.260 4.985 4.889 0.000 0.000 0.000 3/47520 650.0 3.210 4.910 4.818 0.000 0.000 0.000 3/47520 660.0 3.161 4.836 4.748 0.000 0.000 0.000 3/47520 670.0 3.113 4.765 4.680 0.000 0.000 0.000 3/47520 680.0 3.067 4.696 4.615 0.000 0.000 0.000 3/47520 690.0 3.022 4.629 4.551 0.000 0.000 0.000 3/47520 700.0 2.979 4.564 4.489 0.000 0.000 0.000 3/47520 710.0 2.937 4.500 4.428 0.000 0.000 0.000 3/47520 720.0 2.896 4.439 4.370 0.000 0.000 0.000 3/47520 730.0 2.856 4.379 4.312 0.000 0.000 0.000 3/47520 740.0 2.817 4.321 4.257 0.000 0.000 0.000 3/47520 750.0 2.779 4.264 4.202 0.000 0.000 0.000 3/47520 760.0 2.743 4.209 4.149 0.000 0.000 0.000 3/47520 770.0 2.707 4.155 4.098 0.000 0.000 0.000 3/47520 780.0 2.672 4.102 4.048 0.000 0.000 0.000 3/47520 790.0 2.638 4.051 3.998 0.000 0.000 0.000 3/47520 800.0 2.605 4.001 3.951 0.000 0.000 0.000 3/47520 810.0 2.573 3.953 3.904 0.000 0.000 0.000 3/47520 820.0 2.542 3.905 3.858 0.000 0.000 0.000 3/47520 830.0 2.511 3.859 3.814 0.000 0.000 0.000 3/47520 840.0 2.481 3.814 3.770 0.000 0.000 0.000 3/47520 850.0 2.452 3.770 3.727 0.000 0.000 0.000 3/47520 860.0 2.423 3.726 3.686 0.000 0.000 0.000 3/47520 870.0 2.395 3.684 3.645 0.000 0.000 0.000 3/47520 880.0 2.368 3.643 3.605 0.000 0.000 0.000 3/47520 890.0 2.342 3.603 3.566 0.000 0.000 0.000 3/47520 900.0 2.316 3.563 3.528 0.000 0.000 0.000 3/47520 910.0 2.290 3.525 3.491 0.000 0.000 0.000 3/47520 920.0 2.265 3.487 3.454 0.000 0.000 0.000 3/47520 930.0 2.241 3.450 3.419 0.000 0.000 0.000 3/47520 940.0 2.217 3.414 3.384 0.000 0.000 0.000 3/47520 950.0 2.194 3.379 3.349 0.000 0.000 0.000 3/47520 960.0 2.171 3.344 3.316 0.000 0.000 0.000 3/47520 970.0 2.149 3.310 3.283 0.000 0.000 0.000 3/47520 980.0 2.127 3.277 3.250 0.000 0.000 0.000 3/47520 990.0 2.105 3.244 3.219 0.000 0.000 0.000 3/47520 1000.0 2.084 3.212 3.188 0.000 0.000 0.000 3/47520 Thermal conductivity related properties were written into "kappa-m51112.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:38:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|