----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:27:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.986892015680904 0.000000000000000 0.000000000000000 b 0.000000000000000 7.679169459999999 0.000000000000000 c -7.846235208788569 0.000000000000000 14.003489364835881 Atomic positions (fractional): *1 Na 0.94779190307121 0.48255250161481 0.22440539895066 22.990 2 Na 0.05220809692879 0.98255250161481 0.27559460104934 22.990 3 Na 0.05220809692879 0.51744749838519 0.77559460104934 22.990 4 Na 0.94779190307121 0.01744749838519 0.72440539895066 22.990 *5 Na 0.72223917484269 0.50008797750097 0.39575712070462 22.990 6 Na 0.27776082515731 0.00008797750097 0.10424287929538 22.990 7 Na 0.27776082515731 0.49991202249903 0.60424287929538 22.990 8 Na 0.72223917484269 0.99991202249903 0.89575712070462 22.990 *9 Na 0.32220444782895 0.50269943369331 0.09819155265764 22.990 10 Na 0.67779555217105 0.00269943369331 0.40180844734236 22.990 11 Na 0.67779555217105 0.49730056630669 0.90180844734236 22.990 12 Na 0.32220444782895 0.99730056630669 0.59819155265764 22.990 *13 Al 0.66536411627075 0.85982892751841 0.08222826813011 26.982 14 Al 0.33463588372925 0.35982892751841 0.41777173186989 26.982 15 Al 0.33463588372925 0.14017107248159 0.91777173186989 26.982 16 Al 0.66536411627075 0.64017107248159 0.58222826813011 26.982 *17 Te 0.34094741097693 0.70820777448241 0.42595485004173 127.600 18 Te 0.65905258902307 0.20820777448241 0.07404514995827 127.600 19 Te 0.65905258902307 0.29179222551759 0.57404514995827 127.600 20 Te 0.34094741097693 0.79179222551759 0.92595485004173 127.600 *21 Te 0.34334394050043 0.26152888224271 0.26624469562049 127.600 22 Te 0.65665605949957 0.76152888224271 0.23375530437951 127.600 23 Te 0.65665605949957 0.73847111775729 0.73375530437951 127.600 24 Te 0.34334394050043 0.23847111775729 0.76624469562049 127.600 *25 Te 0.95907069087308 0.73963229167323 0.07464748937500 127.600 26 Te 0.04092930912692 0.23963229167323 0.42535251062500 127.600 27 Te 0.04092930912692 0.26036770832676 0.92535251062500 127.600 28 Te 0.95907069087308 0.76036770832677 0.57464748937500 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.986892015680904 0.000000000000000 0.000000000000000 b 0.000000000000000 7.679169459999999 0.000000000000000 c -7.846235208788569 0.000000000000000 14.003489364835881 Atomic positions (fractional): *1 Na 0.94779190307121 0.48255250161481 0.22440539895066 22.990 > 1 2 Na 0.05220809692879 0.98255250161481 0.27559460104934 22.990 > 2 3 Na 0.05220809692879 0.51744749838519 0.77559460104934 22.990 > 3 4 Na 0.94779190307121 0.01744749838519 0.72440539895066 22.990 > 4 *5 Na 0.72223917484269 0.50008797750097 0.39575712070462 22.990 > 5 6 Na 0.27776082515731 0.00008797750097 0.10424287929538 22.990 > 6 7 Na 0.27776082515731 0.49991202249903 0.60424287929538 22.990 > 7 8 Na 0.72223917484269 0.99991202249903 0.89575712070462 22.990 > 8 *9 Na 0.32220444782895 0.50269943369331 0.09819155265764 22.990 > 9 10 Na 0.67779555217105 0.00269943369331 0.40180844734236 22.990 > 10 11 Na 0.67779555217105 0.49730056630669 0.90180844734236 22.990 > 11 12 Na 0.32220444782895 0.99730056630669 0.59819155265764 22.990 > 12 *13 Al 0.66536411627075 0.85982892751841 0.08222826813011 26.982 > 13 14 Al 0.33463588372925 0.35982892751841 0.41777173186989 26.982 > 14 15 Al 0.33463588372925 0.14017107248159 0.91777173186989 26.982 > 15 16 Al 0.66536411627075 0.64017107248159 0.58222826813011 26.982 > 16 *17 Te 0.34094741097693 0.70820777448241 0.42595485004173 127.600 > 17 18 Te 0.65905258902307 0.20820777448241 0.07404514995827 127.600 > 18 19 Te 0.65905258902307 0.29179222551759 0.57404514995827 127.600 > 19 20 Te 0.34094741097693 0.79179222551759 0.92595485004173 127.600 > 20 *21 Te 0.34334394050043 0.26152888224271 0.26624469562049 127.600 > 21 22 Te 0.65665605949957 0.76152888224271 0.23375530437951 127.600 > 22 23 Te 0.65665605949957 0.73847111775729 0.73375530437951 127.600 > 23 24 Te 0.34334394050043 0.23847111775729 0.76624469562049 127.600 > 24 *25 Te 0.95907069087308 0.73963229167323 0.07464748937500 127.600 > 25 26 Te 0.04092930912692 0.23963229167323 0.42535251062500 127.600 > 26 27 Te 0.04092930912692 0.26036770832676 0.92535251062500 127.600 > 27 28 Te 0.95907069087308 0.76036770832677 0.57464748937500 127.600 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.973784031361808 0.000000000000000 0.000000000000000 b 0.000000000000000 15.358338919999998 0.000000000000000 c -7.846235208788569 0.000000000000000 14.003489364835881 Atomic positions (fractional): *1 Na 0.47389595153560 0.24127625080740 0.22440539895066 22.990 > 1 2 Na 0.97389595153560 0.24127625080740 0.22440539895066 22.990 > 1 3 Na 0.47389595153560 0.74127625080740 0.22440539895066 22.990 > 1 4 Na 0.97389595153560 0.74127625080740 0.22440539895066 22.990 > 1 5 Na 0.02610404846439 0.49127625080740 0.27559460104934 22.990 > 2 6 Na 0.52610404846439 0.49127625080740 0.27559460104934 22.990 > 2 7 Na 0.02610404846439 0.99127625080740 0.27559460104934 22.990 > 2 8 Na 0.52610404846439 0.99127625080740 0.27559460104934 22.990 > 2 9 Na 0.02610404846439 0.25872374919260 0.77559460104934 22.990 > 3 10 Na 0.52610404846439 0.25872374919260 0.77559460104934 22.990 > 3 11 Na 0.02610404846439 0.75872374919260 0.77559460104934 22.990 > 3 12 Na 0.52610404846439 0.75872374919260 0.77559460104934 22.990 > 3 13 Na 0.47389595153560 0.00872374919260 0.72440539895066 22.990 > 4 14 Na 0.97389595153560 0.00872374919260 0.72440539895066 22.990 > 4 15 Na 0.47389595153560 0.50872374919260 0.72440539895066 22.990 > 4 16 Na 0.97389595153560 0.50872374919260 0.72440539895066 22.990 > 4 *17 Na 0.36111958742135 0.25004398875048 0.39575712070462 22.990 > 5 18 Na 0.86111958742135 0.25004398875048 0.39575712070462 22.990 > 5 19 Na 0.36111958742135 0.75004398875048 0.39575712070462 22.990 > 5 20 Na 0.86111958742135 0.75004398875048 0.39575712070462 22.990 > 5 21 Na 0.13888041257865 0.00004398875048 0.10424287929538 22.990 > 6 22 Na 0.63888041257865 0.00004398875048 0.10424287929538 22.990 > 6 23 Na 0.13888041257865 0.50004398875048 0.10424287929538 22.990 > 6 24 Na 0.63888041257865 0.50004398875048 0.10424287929538 22.990 > 6 25 Na 0.13888041257865 0.24995601124952 0.60424287929538 22.990 > 7 26 Na 0.63888041257865 0.24995601124952 0.60424287929538 22.990 > 7 27 Na 0.13888041257865 0.74995601124952 0.60424287929538 22.990 > 7 28 Na 0.63888041257865 0.74995601124952 0.60424287929538 22.990 > 7 29 Na 0.36111958742135 0.49995601124952 0.89575712070462 22.990 > 8 30 Na 0.86111958742135 0.49995601124952 0.89575712070462 22.990 > 8 31 Na 0.36111958742135 0.99995601124952 0.89575712070462 22.990 > 8 32 Na 0.86111958742135 0.99995601124952 0.89575712070462 22.990 > 8 *33 Na 0.16110222391447 0.25134971684666 0.09819155265764 22.990 > 9 34 Na 0.66110222391447 0.25134971684666 0.09819155265764 22.990 > 9 35 Na 0.16110222391447 0.75134971684666 0.09819155265764 22.990 > 9 36 Na 0.66110222391447 0.75134971684666 0.09819155265764 22.990 > 9 37 Na 0.33889777608553 0.00134971684666 0.40180844734236 22.990 > 10 38 Na 0.83889777608553 0.00134971684666 0.40180844734236 22.990 > 10 39 Na 0.33889777608553 0.50134971684666 0.40180844734236 22.990 > 10 40 Na 0.83889777608553 0.50134971684666 0.40180844734236 22.990 > 10 41 Na 0.33889777608553 0.24865028315334 0.90180844734236 22.990 > 11 42 Na 0.83889777608553 0.24865028315334 0.90180844734236 22.990 > 11 43 Na 0.33889777608553 0.74865028315334 0.90180844734236 22.990 > 11 44 Na 0.83889777608553 0.74865028315334 0.90180844734236 22.990 > 11 45 Na 0.16110222391447 0.49865028315334 0.59819155265764 22.990 > 12 46 Na 0.66110222391447 0.49865028315334 0.59819155265764 22.990 > 12 47 Na 0.16110222391447 0.99865028315334 0.59819155265764 22.990 > 12 48 Na 0.66110222391447 0.99865028315334 0.59819155265764 22.990 > 12 *49 Al 0.33268205813537 0.42991446375920 0.08222826813011 26.982 > 13 50 Al 0.83268205813537 0.42991446375920 0.08222826813011 26.982 > 13 51 Al 0.33268205813537 0.92991446375920 0.08222826813011 26.982 > 13 52 Al 0.83268205813537 0.92991446375920 0.08222826813011 26.982 > 13 53 Al 0.16731794186463 0.17991446375920 0.41777173186989 26.982 > 14 54 Al 0.66731794186463 0.17991446375920 0.41777173186989 26.982 > 14 55 Al 0.16731794186463 0.67991446375920 0.41777173186989 26.982 > 14 56 Al 0.66731794186463 0.67991446375920 0.41777173186989 26.982 > 14 57 Al 0.16731794186463 0.07008553624080 0.91777173186989 26.982 > 15 58 Al 0.66731794186463 0.07008553624080 0.91777173186989 26.982 > 15 59 Al 0.16731794186463 0.57008553624080 0.91777173186989 26.982 > 15 60 Al 0.66731794186463 0.57008553624080 0.91777173186989 26.982 > 15 61 Al 0.33268205813537 0.32008553624080 0.58222826813011 26.982 > 16 62 Al 0.83268205813537 0.32008553624080 0.58222826813011 26.982 > 16 63 Al 0.33268205813537 0.82008553624080 0.58222826813011 26.982 > 16 64 Al 0.83268205813537 0.82008553624080 0.58222826813011 26.982 > 16 *65 Te 0.17047370548847 0.35410388724121 0.42595485004173 127.600 > 17 66 Te 0.67047370548847 0.35410388724121 0.42595485004173 127.600 > 17 67 Te 0.17047370548847 0.85410388724121 0.42595485004173 127.600 > 17 68 Te 0.67047370548847 0.85410388724121 0.42595485004173 127.600 > 17 69 Te 0.32952629451153 0.10410388724121 0.07404514995827 127.600 > 18 70 Te 0.82952629451153 0.10410388724121 0.07404514995827 127.600 > 18 71 Te 0.32952629451153 0.60410388724121 0.07404514995827 127.600 > 18 72 Te 0.82952629451153 0.60410388724121 0.07404514995827 127.600 > 18 73 Te 0.32952629451153 0.14589611275879 0.57404514995827 127.600 > 19 74 Te 0.82952629451153 0.14589611275879 0.57404514995827 127.600 > 19 75 Te 0.32952629451153 0.64589611275879 0.57404514995827 127.600 > 19 76 Te 0.82952629451153 0.64589611275879 0.57404514995827 127.600 > 19 77 Te 0.17047370548847 0.39589611275879 0.92595485004173 127.600 > 20 78 Te 0.67047370548847 0.39589611275879 0.92595485004173 127.600 > 20 79 Te 0.17047370548847 0.89589611275879 0.92595485004173 127.600 > 20 80 Te 0.67047370548847 0.89589611275879 0.92595485004173 127.600 > 20 *81 Te 0.17167197025022 0.13076444112135 0.26624469562049 127.600 > 21 82 Te 0.67167197025022 0.13076444112135 0.26624469562049 127.600 > 21 83 Te 0.17167197025022 0.63076444112135 0.26624469562049 127.600 > 21 84 Te 0.67167197025022 0.63076444112135 0.26624469562049 127.600 > 21 85 Te 0.32832802974978 0.38076444112135 0.23375530437951 127.600 > 22 86 Te 0.82832802974978 0.38076444112135 0.23375530437951 127.600 > 22 87 Te 0.32832802974978 0.88076444112135 0.23375530437951 127.600 > 22 88 Te 0.82832802974978 0.88076444112135 0.23375530437951 127.600 > 22 89 Te 0.32832802974978 0.36923555887865 0.73375530437951 127.600 > 23 90 Te 0.82832802974978 0.36923555887865 0.73375530437951 127.600 > 23 91 Te 0.32832802974978 0.86923555887865 0.73375530437951 127.600 > 23 92 Te 0.82832802974978 0.86923555887865 0.73375530437951 127.600 > 23 93 Te 0.17167197025022 0.11923555887865 0.76624469562049 127.600 > 24 94 Te 0.67167197025022 0.11923555887865 0.76624469562049 127.600 > 24 95 Te 0.17167197025022 0.61923555887865 0.76624469562049 127.600 > 24 96 Te 0.67167197025022 0.61923555887865 0.76624469562049 127.600 > 24 *97 Te 0.47953534543654 0.36981614583662 0.07464748937500 127.600 > 25 98 Te 0.97953534543654 0.36981614583662 0.07464748937500 127.600 > 25 99 Te 0.47953534543654 0.86981614583662 0.07464748937500 127.600 > 25 100 Te 0.97953534543654 0.86981614583662 0.07464748937500 127.600 > 25 101 Te 0.02046465456346 0.11981614583662 0.42535251062500 127.600 > 26 102 Te 0.52046465456346 0.11981614583662 0.42535251062500 127.600 > 26 103 Te 0.02046465456346 0.61981614583662 0.42535251062500 127.600 > 26 104 Te 0.52046465456346 0.61981614583662 0.42535251062500 127.600 > 26 105 Te 0.02046465456346 0.13018385416338 0.92535251062500 127.600 > 27 106 Te 0.52046465456346 0.13018385416338 0.92535251062500 127.600 > 27 107 Te 0.02046465456346 0.63018385416338 0.92535251062500 127.600 > 27 108 Te 0.52046465456346 0.63018385416338 0.92535251062500 127.600 > 27 109 Te 0.47953534543654 0.38018385416338 0.57464748937500 127.600 > 28 110 Te 0.97953534543654 0.38018385416338 0.57464748937500 127.600 > 28 111 Te 0.47953534543654 0.88018385416338 0.57464748937500 127.600 > 28 112 Te 0.97953534543654 0.88018385416338 0.57464748937500 127.600 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6397546 0.0000000 -0.0439978 0.0000000 5.4257127 0.0000000 -0.0440088 0.0000000 5.6726495 -------------------------- Born effective charges -------------------------- 1 Na 1.0233187 -0.0547803 0.2649147 -0.0456691 1.2728554 -0.0486376 0.2626502 -0.0943487 1.3627451 2 Na 1.0233187 0.0547803 0.2649147 0.0456691 1.2728554 0.0486376 0.2626502 0.0943487 1.3627451 3 Na 1.0233187 -0.0547803 0.2649147 -0.0456691 1.2728554 -0.0486376 0.2626502 -0.0943487 1.3627451 4 Na 1.0233187 0.0547803 0.2649147 0.0456691 1.2728554 0.0486376 0.2626502 0.0943487 1.3627451 5 Na 1.3392138 -0.0165692 -0.1317949 0.0718754 1.0026310 -0.0600086 -0.1208470 -0.1089282 1.2331014 6 Na 1.3392138 0.0165692 -0.1317949 -0.0718754 1.0026310 0.0600086 -0.1208470 0.1089282 1.2331014 7 Na 1.3392138 -0.0165692 -0.1317949 0.0718754 1.0026310 -0.0600086 -0.1208470 -0.1089282 1.2331014 8 Na 1.3392138 0.0165692 -0.1317949 -0.0718754 1.0026310 0.0600086 -0.1208470 0.1089282 1.2331014 9 Na 1.3146711 -0.0155386 -0.1100080 -0.0517781 1.4311962 0.0676897 -0.1084536 -0.0646645 1.1931744 10 Na 1.3146711 0.0155386 -0.1100080 0.0517781 1.4311962 -0.0676897 -0.1084536 0.0646645 1.1931744 11 Na 1.3146711 -0.0155386 -0.1100080 -0.0517781 1.4311962 0.0676897 -0.1084536 -0.0646645 1.1931744 12 Na 1.3146711 0.0155386 -0.1100080 0.0517781 1.4311962 -0.0676897 -0.1084536 0.0646645 1.1931744 13 Al 2.2013429 -0.3986386 -0.0175468 -0.4045581 1.7960019 -0.5921764 -0.0488780 -0.5949967 2.2323837 14 Al 2.2013429 0.3986386 -0.0175468 0.4045581 1.7960019 0.5921764 -0.0488780 0.5949967 2.2323837 15 Al 2.2013429 -0.3986386 -0.0175468 -0.4045581 1.7960019 -0.5921764 -0.0488780 -0.5949967 2.2323837 16 Al 2.2013429 0.3986386 -0.0175468 0.4045581 1.7960019 0.5921764 -0.0488780 0.5949967 2.2323837 17 Te -1.4451413 -0.0567155 -0.4394683 -0.0925214 -2.2098755 -0.0603669 -0.4377509 -0.0938970 -1.9621988 18 Te -1.4451413 0.0567155 -0.4394683 0.0925214 -2.2098755 0.0603669 -0.4377509 0.0938970 -1.9621988 19 Te -1.4451413 -0.0567155 -0.4394683 -0.0925214 -2.2098755 -0.0603669 -0.4377509 -0.0938970 -1.9621988 20 Te -1.4451413 0.0567155 -0.4394683 0.0925214 -2.2098755 0.0603669 -0.4377509 0.0938970 -1.9621988 21 Te -1.8833418 0.1095487 0.3558082 0.0371130 -1.6478599 -0.4387636 0.5061282 -0.4035888 -2.4293693 22 Te -1.8833418 -0.1095487 0.3558082 -0.0371130 -1.6478599 0.4387636 0.5061282 0.4035888 -2.4293693 23 Te -1.8833418 0.1095487 0.3558082 0.0371130 -1.6478599 -0.4387636 0.5061282 -0.4035888 -2.4293693 24 Te -1.8833418 -0.1095487 0.3558082 -0.0371130 -1.6478599 0.4387636 0.5061282 0.4035888 -2.4293693 25 Te -2.5500634 0.4217223 0.0780952 0.4083817 -1.6449491 -0.0046015 -0.0528488 0.0493658 -1.6298365 26 Te -2.5500634 -0.4217223 0.0780952 -0.4083817 -1.6449491 0.0046015 -0.0528488 -0.0493658 -1.6298365 27 Te -2.5500634 0.4217223 0.0780952 0.4083817 -1.6449491 -0.0046015 -0.0528488 0.0493658 -1.6298365 28 Te -2.5500634 -0.4217223 0.0780952 -0.4083817 -1.6449491 0.0046015 -0.0528488 -0.0493658 -1.6298365 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.002 Solver_block: 200 / 880 - Time: 0.935 Solver_block: 300 / 880 - Time: 0.937 Solver_block: 400 / 880 - Time: 0.944 Solver_block: 500 / 880 - Time: 0.948 Solver_block: 600 / 880 - Time: 0.945 Solver_block: 700 / 880 - Time: 0.953 Solver_block: 800 / 880 - Time: 0.925 Solver_block: 880 / 880 - Time: 0.769 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.530 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:28:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:28:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.986892015680904 0.000000000000000 0.000000000000000 b 0.000000000000000 7.679169459999999 0.000000000000000 c -7.846235208788569 0.000000000000000 14.003489364835881 Atomic positions (fractional): 1 Na 0.94779190307121 0.48255250161481 0.22440539895066 22.990 2 Na 0.05220809692879 0.98255250161481 0.27559460104934 22.990 3 Na 0.05220809692879 0.51744749838519 0.77559460104934 22.990 4 Na 0.94779190307121 0.01744749838519 0.72440539895066 22.990 5 Na 0.72223917484269 0.50008797750097 0.39575712070462 22.990 6 Na 0.27776082515731 0.00008797750097 0.10424287929538 22.990 7 Na 0.27776082515731 0.49991202249903 0.60424287929538 22.990 8 Na 0.72223917484269 0.99991202249903 0.89575712070462 22.990 9 Na 0.32220444782895 0.50269943369331 0.09819155265764 22.990 10 Na 0.67779555217105 0.00269943369331 0.40180844734236 22.990 11 Na 0.67779555217105 0.49730056630669 0.90180844734236 22.990 12 Na 0.32220444782895 0.99730056630669 0.59819155265764 22.990 13 Al 0.66536411627075 0.85982892751841 0.08222826813011 26.982 14 Al 0.33463588372925 0.35982892751841 0.41777173186989 26.982 15 Al 0.33463588372925 0.14017107248159 0.91777173186989 26.982 16 Al 0.66536411627075 0.64017107248159 0.58222826813011 26.982 17 Te 0.34094741097693 0.70820777448241 0.42595485004173 127.600 18 Te 0.65905258902307 0.20820777448241 0.07404514995827 127.600 19 Te 0.65905258902307 0.29179222551759 0.57404514995827 127.600 20 Te 0.34094741097693 0.79179222551759 0.92595485004173 127.600 21 Te 0.34334394050043 0.26152888224271 0.26624469562049 127.600 22 Te 0.65665605949957 0.76152888224271 0.23375530437951 127.600 23 Te 0.65665605949957 0.73847111775729 0.73375530437951 127.600 24 Te 0.34334394050043 0.23847111775729 0.76624469562049 127.600 25 Te 0.95907069087308 0.73963229167323 0.07464748937500 127.600 26 Te 0.04092930912692 0.23963229167323 0.42535251062500 127.600 27 Te 0.04092930912692 0.26036770832676 0.92535251062500 127.600 28 Te 0.95907069087308 0.76036770832677 0.57464748937500 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.973784031361808 0.000000000000000 0.000000000000000 b 0.000000000000000 15.358338919999998 0.000000000000000 c -7.846235208788569 0.000000000000000 14.003489364835881 Atomic positions (fractional): 1 Na 0.47389595153560 0.24127625080740 0.22440539895066 22.990 > 1 2 Na 0.97389595153560 0.24127625080740 0.22440539895066 22.990 > 1 3 Na 0.47389595153560 0.74127625080740 0.22440539895066 22.990 > 1 4 Na 0.97389595153560 0.74127625080740 0.22440539895066 22.990 > 1 5 Na 0.02610404846439 0.49127625080740 0.27559460104934 22.990 > 5 6 Na 0.52610404846439 0.49127625080740 0.27559460104934 22.990 > 5 7 Na 0.02610404846439 0.99127625080740 0.27559460104934 22.990 > 5 8 Na 0.52610404846439 0.99127625080740 0.27559460104934 22.990 > 5 9 Na 0.02610404846439 0.25872374919260 0.77559460104934 22.990 > 9 10 Na 0.52610404846439 0.25872374919260 0.77559460104934 22.990 > 9 11 Na 0.02610404846439 0.75872374919260 0.77559460104934 22.990 > 9 12 Na 0.52610404846439 0.75872374919260 0.77559460104934 22.990 > 9 13 Na 0.47389595153560 0.00872374919260 0.72440539895066 22.990 > 13 14 Na 0.97389595153560 0.00872374919260 0.72440539895066 22.990 > 13 15 Na 0.47389595153560 0.50872374919260 0.72440539895066 22.990 > 13 16 Na 0.97389595153560 0.50872374919260 0.72440539895066 22.990 > 13 17 Na 0.36111958742135 0.25004398875048 0.39575712070462 22.990 > 17 18 Na 0.86111958742135 0.25004398875048 0.39575712070462 22.990 > 17 19 Na 0.36111958742135 0.75004398875048 0.39575712070462 22.990 > 17 20 Na 0.86111958742135 0.75004398875048 0.39575712070462 22.990 > 17 21 Na 0.13888041257865 0.00004398875048 0.10424287929538 22.990 > 21 22 Na 0.63888041257865 0.00004398875048 0.10424287929538 22.990 > 21 23 Na 0.13888041257865 0.50004398875048 0.10424287929538 22.990 > 21 24 Na 0.63888041257865 0.50004398875048 0.10424287929538 22.990 > 21 25 Na 0.13888041257865 0.24995601124952 0.60424287929538 22.990 > 25 26 Na 0.63888041257865 0.24995601124952 0.60424287929538 22.990 > 25 27 Na 0.13888041257865 0.74995601124952 0.60424287929538 22.990 > 25 28 Na 0.63888041257865 0.74995601124952 0.60424287929538 22.990 > 25 29 Na 0.36111958742135 0.49995601124952 0.89575712070462 22.990 > 29 30 Na 0.86111958742135 0.49995601124952 0.89575712070462 22.990 > 29 31 Na 0.36111958742135 0.99995601124952 0.89575712070462 22.990 > 29 32 Na 0.86111958742135 0.99995601124952 0.89575712070462 22.990 > 29 33 Na 0.16110222391447 0.25134971684666 0.09819155265764 22.990 > 33 34 Na 0.66110222391447 0.25134971684666 0.09819155265764 22.990 > 33 35 Na 0.16110222391447 0.75134971684666 0.09819155265764 22.990 > 33 36 Na 0.66110222391447 0.75134971684666 0.09819155265764 22.990 > 33 37 Na 0.33889777608553 0.00134971684666 0.40180844734236 22.990 > 37 38 Na 0.83889777608553 0.00134971684666 0.40180844734236 22.990 > 37 39 Na 0.33889777608553 0.50134971684666 0.40180844734236 22.990 > 37 40 Na 0.83889777608553 0.50134971684666 0.40180844734236 22.990 > 37 41 Na 0.33889777608553 0.24865028315334 0.90180844734236 22.990 > 41 42 Na 0.83889777608553 0.24865028315334 0.90180844734236 22.990 > 41 43 Na 0.33889777608553 0.74865028315334 0.90180844734236 22.990 > 41 44 Na 0.83889777608553 0.74865028315334 0.90180844734236 22.990 > 41 45 Na 0.16110222391447 0.49865028315334 0.59819155265764 22.990 > 45 46 Na 0.66110222391447 0.49865028315334 0.59819155265764 22.990 > 45 47 Na 0.16110222391447 0.99865028315334 0.59819155265764 22.990 > 45 48 Na 0.66110222391447 0.99865028315334 0.59819155265764 22.990 > 45 49 Al 0.33268205813537 0.42991446375920 0.08222826813011 26.982 > 49 50 Al 0.83268205813537 0.42991446375920 0.08222826813011 26.982 > 49 51 Al 0.33268205813537 0.92991446375920 0.08222826813011 26.982 > 49 52 Al 0.83268205813537 0.92991446375920 0.08222826813011 26.982 > 49 53 Al 0.16731794186463 0.17991446375920 0.41777173186989 26.982 > 53 54 Al 0.66731794186463 0.17991446375920 0.41777173186989 26.982 > 53 55 Al 0.16731794186463 0.67991446375920 0.41777173186989 26.982 > 53 56 Al 0.66731794186463 0.67991446375920 0.41777173186989 26.982 > 53 57 Al 0.16731794186463 0.07008553624080 0.91777173186989 26.982 > 57 58 Al 0.66731794186463 0.07008553624080 0.91777173186989 26.982 > 57 59 Al 0.16731794186463 0.57008553624080 0.91777173186989 26.982 > 57 60 Al 0.66731794186463 0.57008553624080 0.91777173186989 26.982 > 57 61 Al 0.33268205813537 0.32008553624080 0.58222826813011 26.982 > 61 62 Al 0.83268205813537 0.32008553624080 0.58222826813011 26.982 > 61 63 Al 0.33268205813537 0.82008553624080 0.58222826813011 26.982 > 61 64 Al 0.83268205813537 0.82008553624080 0.58222826813011 26.982 > 61 65 Te 0.17047370548847 0.35410388724121 0.42595485004173 127.600 > 65 66 Te 0.67047370548847 0.35410388724121 0.42595485004173 127.600 > 65 67 Te 0.17047370548847 0.85410388724121 0.42595485004173 127.600 > 65 68 Te 0.67047370548847 0.85410388724121 0.42595485004173 127.600 > 65 69 Te 0.32952629451153 0.10410388724121 0.07404514995827 127.600 > 69 70 Te 0.82952629451153 0.10410388724121 0.07404514995827 127.600 > 69 71 Te 0.32952629451153 0.60410388724121 0.07404514995827 127.600 > 69 72 Te 0.82952629451153 0.60410388724121 0.07404514995827 127.600 > 69 73 Te 0.32952629451153 0.14589611275879 0.57404514995827 127.600 > 73 74 Te 0.82952629451153 0.14589611275879 0.57404514995827 127.600 > 73 75 Te 0.32952629451153 0.64589611275879 0.57404514995827 127.600 > 73 76 Te 0.82952629451153 0.64589611275879 0.57404514995827 127.600 > 73 77 Te 0.17047370548847 0.39589611275879 0.92595485004173 127.600 > 77 78 Te 0.67047370548847 0.39589611275879 0.92595485004173 127.600 > 77 79 Te 0.17047370548847 0.89589611275879 0.92595485004173 127.600 > 77 80 Te 0.67047370548847 0.89589611275879 0.92595485004173 127.600 > 77 81 Te 0.17167197025022 0.13076444112135 0.26624469562049 127.600 > 81 82 Te 0.67167197025022 0.13076444112135 0.26624469562049 127.600 > 81 83 Te 0.17167197025022 0.63076444112135 0.26624469562049 127.600 > 81 84 Te 0.67167197025022 0.63076444112135 0.26624469562049 127.600 > 81 85 Te 0.32832802974978 0.38076444112135 0.23375530437951 127.600 > 85 86 Te 0.82832802974978 0.38076444112135 0.23375530437951 127.600 > 85 87 Te 0.32832802974978 0.88076444112135 0.23375530437951 127.600 > 85 88 Te 0.82832802974978 0.88076444112135 0.23375530437951 127.600 > 85 89 Te 0.32832802974978 0.36923555887865 0.73375530437951 127.600 > 89 90 Te 0.82832802974978 0.36923555887865 0.73375530437951 127.600 > 89 91 Te 0.32832802974978 0.86923555887865 0.73375530437951 127.600 > 89 92 Te 0.82832802974978 0.86923555887865 0.73375530437951 127.600 > 89 93 Te 0.17167197025022 0.11923555887865 0.76624469562049 127.600 > 93 94 Te 0.67167197025022 0.11923555887865 0.76624469562049 127.600 > 93 95 Te 0.17167197025022 0.61923555887865 0.76624469562049 127.600 > 93 96 Te 0.67167197025022 0.61923555887865 0.76624469562049 127.600 > 93 97 Te 0.47953534543654 0.36981614583662 0.07464748937500 127.600 > 97 98 Te 0.97953534543654 0.36981614583662 0.07464748937500 127.600 > 97 99 Te 0.47953534543654 0.86981614583662 0.07464748937500 127.600 > 97 100 Te 0.97953534543654 0.86981614583662 0.07464748937500 127.600 > 97 101 Te 0.02046465456346 0.11981614583662 0.42535251062500 127.600 > 101 102 Te 0.52046465456346 0.11981614583662 0.42535251062500 127.600 > 101 103 Te 0.02046465456346 0.61981614583662 0.42535251062500 127.600 > 101 104 Te 0.52046465456346 0.61981614583662 0.42535251062500 127.600 > 101 105 Te 0.02046465456346 0.13018385416338 0.92535251062500 127.600 > 105 106 Te 0.52046465456346 0.13018385416338 0.92535251062500 127.600 > 105 107 Te 0.02046465456346 0.63018385416338 0.92535251062500 127.600 > 105 108 Te 0.52046465456346 0.63018385416338 0.92535251062500 127.600 > 105 109 Te 0.47953534543654 0.38018385416338 0.57464748937500 127.600 > 109 110 Te 0.97953534543654 0.38018385416338 0.57464748937500 127.600 > 109 111 Te 0.47953534543654 0.88018385416338 0.57464748937500 127.600 > 109 112 Te 0.97953534543654 0.88018385416338 0.57464748937500 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6397546 0.0000000 -0.0439978 0.0000000 5.4257127 0.0000000 -0.0440088 0.0000000 5.6726495 -------------------------- Born effective charges -------------------------- 1 Na 1.0233187 -0.0547803 0.2649147 -0.0456691 1.2728554 -0.0486376 0.2626502 -0.0943487 1.3627451 2 Na 1.0233187 0.0547803 0.2649147 0.0456691 1.2728554 0.0486376 0.2626502 0.0943487 1.3627451 3 Na 1.0233187 -0.0547803 0.2649147 -0.0456691 1.2728554 -0.0486376 0.2626502 -0.0943487 1.3627451 4 Na 1.0233187 0.0547803 0.2649147 0.0456691 1.2728554 0.0486376 0.2626502 0.0943487 1.3627451 5 Na 1.3392138 -0.0165692 -0.1317949 0.0718754 1.0026310 -0.0600086 -0.1208470 -0.1089282 1.2331014 6 Na 1.3392138 0.0165692 -0.1317949 -0.0718754 1.0026310 0.0600086 -0.1208470 0.1089282 1.2331014 7 Na 1.3392138 -0.0165692 -0.1317949 0.0718754 1.0026310 -0.0600086 -0.1208470 -0.1089282 1.2331014 8 Na 1.3392138 0.0165692 -0.1317949 -0.0718754 1.0026310 0.0600086 -0.1208470 0.1089282 1.2331014 9 Na 1.3146711 -0.0155386 -0.1100080 -0.0517781 1.4311962 0.0676897 -0.1084536 -0.0646645 1.1931744 10 Na 1.3146711 0.0155386 -0.1100080 0.0517781 1.4311962 -0.0676897 -0.1084536 0.0646645 1.1931744 11 Na 1.3146711 -0.0155386 -0.1100080 -0.0517781 1.4311962 0.0676897 -0.1084536 -0.0646645 1.1931744 12 Na 1.3146711 0.0155386 -0.1100080 0.0517781 1.4311962 -0.0676897 -0.1084536 0.0646645 1.1931744 13 Al 2.2013429 -0.3986386 -0.0175468 -0.4045581 1.7960019 -0.5921764 -0.0488780 -0.5949967 2.2323837 14 Al 2.2013429 0.3986386 -0.0175468 0.4045581 1.7960019 0.5921764 -0.0488780 0.5949967 2.2323837 15 Al 2.2013429 -0.3986386 -0.0175468 -0.4045581 1.7960019 -0.5921764 -0.0488780 -0.5949967 2.2323837 16 Al 2.2013429 0.3986386 -0.0175468 0.4045581 1.7960019 0.5921764 -0.0488780 0.5949967 2.2323837 17 Te -1.4451413 -0.0567155 -0.4394683 -0.0925214 -2.2098755 -0.0603669 -0.4377509 -0.0938970 -1.9621988 18 Te -1.4451413 0.0567155 -0.4394683 0.0925214 -2.2098755 0.0603669 -0.4377509 0.0938970 -1.9621988 19 Te -1.4451413 -0.0567155 -0.4394683 -0.0925214 -2.2098755 -0.0603669 -0.4377509 -0.0938970 -1.9621988 20 Te -1.4451413 0.0567155 -0.4394683 0.0925214 -2.2098755 0.0603669 -0.4377509 0.0938970 -1.9621988 21 Te -1.8833418 0.1095487 0.3558082 0.0371130 -1.6478599 -0.4387636 0.5061282 -0.4035888 -2.4293693 22 Te -1.8833418 -0.1095487 0.3558082 -0.0371130 -1.6478599 0.4387636 0.5061282 0.4035888 -2.4293693 23 Te -1.8833418 0.1095487 0.3558082 0.0371130 -1.6478599 -0.4387636 0.5061282 -0.4035888 -2.4293693 24 Te -1.8833418 -0.1095487 0.3558082 -0.0371130 -1.6478599 0.4387636 0.5061282 0.4035888 -2.4293693 25 Te -2.5500634 0.4217223 0.0780952 0.4083817 -1.6449491 -0.0046015 -0.0528488 0.0493658 -1.6298365 26 Te -2.5500634 -0.4217223 0.0780952 -0.4083817 -1.6449491 0.0046015 -0.0528488 -0.0493658 -1.6298365 27 Te -2.5500634 0.4217223 0.0780952 0.4083817 -1.6449491 -0.0046015 -0.0528488 0.0493658 -1.6298365 28 Te -2.5500634 -0.4217223 0.0780952 -0.4083817 -1.6449491 0.0046015 -0.0528488 -0.0493658 -1.6298365 ---------------------------------------------------------------------------- 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000081 (xxx) -0.00000081 (xxx) -0.00000081 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000031 (xy) 0.00000031 (xy) 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 23:28:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:28:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.986892015680904 0.000000000000000 0.000000000000000 b 0.000000000000000 7.679169459999999 0.000000000000000 c -7.846235208788569 0.000000000000000 14.003489364835881 Atomic positions (fractional): 1 Na 0.94779190307121 0.48255250161481 0.22440539895066 22.990 2 Na 0.05220809692879 0.98255250161481 0.27559460104934 22.990 3 Na 0.05220809692879 0.51744749838519 0.77559460104934 22.990 4 Na 0.94779190307121 0.01744749838519 0.72440539895066 22.990 5 Na 0.72223917484269 0.50008797750097 0.39575712070462 22.990 6 Na 0.27776082515731 0.00008797750097 0.10424287929538 22.990 7 Na 0.27776082515731 0.49991202249903 0.60424287929538 22.990 8 Na 0.72223917484269 0.99991202249903 0.89575712070462 22.990 9 Na 0.32220444782895 0.50269943369331 0.09819155265764 22.990 10 Na 0.67779555217105 0.00269943369331 0.40180844734236 22.990 11 Na 0.67779555217105 0.49730056630669 0.90180844734236 22.990 12 Na 0.32220444782895 0.99730056630669 0.59819155265764 22.990 13 Al 0.66536411627075 0.85982892751841 0.08222826813011 26.982 14 Al 0.33463588372925 0.35982892751841 0.41777173186989 26.982 15 Al 0.33463588372925 0.14017107248159 0.91777173186989 26.982 16 Al 0.66536411627075 0.64017107248159 0.58222826813011 26.982 17 Te 0.34094741097693 0.70820777448241 0.42595485004173 127.600 18 Te 0.65905258902307 0.20820777448241 0.07404514995827 127.600 19 Te 0.65905258902307 0.29179222551759 0.57404514995827 127.600 20 Te 0.34094741097693 0.79179222551759 0.92595485004173 127.600 21 Te 0.34334394050043 0.26152888224271 0.26624469562049 127.600 22 Te 0.65665605949957 0.76152888224271 0.23375530437951 127.600 23 Te 0.65665605949957 0.73847111775729 0.73375530437951 127.600 24 Te 0.34334394050043 0.23847111775729 0.76624469562049 127.600 25 Te 0.95907069087308 0.73963229167323 0.07464748937500 127.600 26 Te 0.04092930912692 0.23963229167323 0.42535251062500 127.600 27 Te 0.04092930912692 0.26036770832676 0.92535251062500 127.600 28 Te 0.95907069087308 0.76036770832677 0.57464748937500 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.973784031361808 0.000000000000000 0.000000000000000 b 0.000000000000000 15.358338919999998 0.000000000000000 c -7.846235208788569 0.000000000000000 14.003489364835881 Atomic positions (fractional): 1 Na 0.47389595153560 0.24127625080740 0.22440539895066 22.990 > 1 2 Na 0.97389595153560 0.24127625080740 0.22440539895066 22.990 > 1 3 Na 0.47389595153560 0.74127625080740 0.22440539895066 22.990 > 1 4 Na 0.97389595153560 0.74127625080740 0.22440539895066 22.990 > 1 5 Na 0.02610404846439 0.49127625080740 0.27559460104934 22.990 > 5 6 Na 0.52610404846439 0.49127625080740 0.27559460104934 22.990 > 5 7 Na 0.02610404846439 0.99127625080740 0.27559460104934 22.990 > 5 8 Na 0.52610404846439 0.99127625080740 0.27559460104934 22.990 > 5 9 Na 0.02610404846439 0.25872374919260 0.77559460104934 22.990 > 9 10 Na 0.52610404846439 0.25872374919260 0.77559460104934 22.990 > 9 11 Na 0.02610404846439 0.75872374919260 0.77559460104934 22.990 > 9 12 Na 0.52610404846439 0.75872374919260 0.77559460104934 22.990 > 9 13 Na 0.47389595153560 0.00872374919260 0.72440539895066 22.990 > 13 14 Na 0.97389595153560 0.00872374919260 0.72440539895066 22.990 > 13 15 Na 0.47389595153560 0.50872374919260 0.72440539895066 22.990 > 13 16 Na 0.97389595153560 0.50872374919260 0.72440539895066 22.990 > 13 17 Na 0.36111958742135 0.25004398875048 0.39575712070462 22.990 > 17 18 Na 0.86111958742135 0.25004398875048 0.39575712070462 22.990 > 17 19 Na 0.36111958742135 0.75004398875048 0.39575712070462 22.990 > 17 20 Na 0.86111958742135 0.75004398875048 0.39575712070462 22.990 > 17 21 Na 0.13888041257865 0.00004398875048 0.10424287929538 22.990 > 21 22 Na 0.63888041257865 0.00004398875048 0.10424287929538 22.990 > 21 23 Na 0.13888041257865 0.50004398875048 0.10424287929538 22.990 > 21 24 Na 0.63888041257865 0.50004398875048 0.10424287929538 22.990 > 21 25 Na 0.13888041257865 0.24995601124952 0.60424287929538 22.990 > 25 26 Na 0.63888041257865 0.24995601124952 0.60424287929538 22.990 > 25 27 Na 0.13888041257865 0.74995601124952 0.60424287929538 22.990 > 25 28 Na 0.63888041257865 0.74995601124952 0.60424287929538 22.990 > 25 29 Na 0.36111958742135 0.49995601124952 0.89575712070462 22.990 > 29 30 Na 0.86111958742135 0.49995601124952 0.89575712070462 22.990 > 29 31 Na 0.36111958742135 0.99995601124952 0.89575712070462 22.990 > 29 32 Na 0.86111958742135 0.99995601124952 0.89575712070462 22.990 > 29 33 Na 0.16110222391447 0.25134971684666 0.09819155265764 22.990 > 33 34 Na 0.66110222391447 0.25134971684666 0.09819155265764 22.990 > 33 35 Na 0.16110222391447 0.75134971684666 0.09819155265764 22.990 > 33 36 Na 0.66110222391447 0.75134971684666 0.09819155265764 22.990 > 33 37 Na 0.33889777608553 0.00134971684666 0.40180844734236 22.990 > 37 38 Na 0.83889777608553 0.00134971684666 0.40180844734236 22.990 > 37 39 Na 0.33889777608553 0.50134971684666 0.40180844734236 22.990 > 37 40 Na 0.83889777608553 0.50134971684666 0.40180844734236 22.990 > 37 41 Na 0.33889777608553 0.24865028315334 0.90180844734236 22.990 > 41 42 Na 0.83889777608553 0.24865028315334 0.90180844734236 22.990 > 41 43 Na 0.33889777608553 0.74865028315334 0.90180844734236 22.990 > 41 44 Na 0.83889777608553 0.74865028315334 0.90180844734236 22.990 > 41 45 Na 0.16110222391447 0.49865028315334 0.59819155265764 22.990 > 45 46 Na 0.66110222391447 0.49865028315334 0.59819155265764 22.990 > 45 47 Na 0.16110222391447 0.99865028315334 0.59819155265764 22.990 > 45 48 Na 0.66110222391447 0.99865028315334 0.59819155265764 22.990 > 45 49 Al 0.33268205813537 0.42991446375920 0.08222826813011 26.982 > 49 50 Al 0.83268205813537 0.42991446375920 0.08222826813011 26.982 > 49 51 Al 0.33268205813537 0.92991446375920 0.08222826813011 26.982 > 49 52 Al 0.83268205813537 0.92991446375920 0.08222826813011 26.982 > 49 53 Al 0.16731794186463 0.17991446375920 0.41777173186989 26.982 > 53 54 Al 0.66731794186463 0.17991446375920 0.41777173186989 26.982 > 53 55 Al 0.16731794186463 0.67991446375920 0.41777173186989 26.982 > 53 56 Al 0.66731794186463 0.67991446375920 0.41777173186989 26.982 > 53 57 Al 0.16731794186463 0.07008553624080 0.91777173186989 26.982 > 57 58 Al 0.66731794186463 0.07008553624080 0.91777173186989 26.982 > 57 59 Al 0.16731794186463 0.57008553624080 0.91777173186989 26.982 > 57 60 Al 0.66731794186463 0.57008553624080 0.91777173186989 26.982 > 57 61 Al 0.33268205813537 0.32008553624080 0.58222826813011 26.982 > 61 62 Al 0.83268205813537 0.32008553624080 0.58222826813011 26.982 > 61 63 Al 0.33268205813537 0.82008553624080 0.58222826813011 26.982 > 61 64 Al 0.83268205813537 0.82008553624080 0.58222826813011 26.982 > 61 65 Te 0.17047370548847 0.35410388724121 0.42595485004173 127.600 > 65 66 Te 0.67047370548847 0.35410388724121 0.42595485004173 127.600 > 65 67 Te 0.17047370548847 0.85410388724121 0.42595485004173 127.600 > 65 68 Te 0.67047370548847 0.85410388724121 0.42595485004173 127.600 > 65 69 Te 0.32952629451153 0.10410388724121 0.07404514995827 127.600 > 69 70 Te 0.82952629451153 0.10410388724121 0.07404514995827 127.600 > 69 71 Te 0.32952629451153 0.60410388724121 0.07404514995827 127.600 > 69 72 Te 0.82952629451153 0.60410388724121 0.07404514995827 127.600 > 69 73 Te 0.32952629451153 0.14589611275879 0.57404514995827 127.600 > 73 74 Te 0.82952629451153 0.14589611275879 0.57404514995827 127.600 > 73 75 Te 0.32952629451153 0.64589611275879 0.57404514995827 127.600 > 73 76 Te 0.82952629451153 0.64589611275879 0.57404514995827 127.600 > 73 77 Te 0.17047370548847 0.39589611275879 0.92595485004173 127.600 > 77 78 Te 0.67047370548847 0.39589611275879 0.92595485004173 127.600 > 77 79 Te 0.17047370548847 0.89589611275879 0.92595485004173 127.600 > 77 80 Te 0.67047370548847 0.89589611275879 0.92595485004173 127.600 > 77 81 Te 0.17167197025022 0.13076444112135 0.26624469562049 127.600 > 81 82 Te 0.67167197025022 0.13076444112135 0.26624469562049 127.600 > 81 83 Te 0.17167197025022 0.63076444112135 0.26624469562049 127.600 > 81 84 Te 0.67167197025022 0.63076444112135 0.26624469562049 127.600 > 81 85 Te 0.32832802974978 0.38076444112135 0.23375530437951 127.600 > 85 86 Te 0.82832802974978 0.38076444112135 0.23375530437951 127.600 > 85 87 Te 0.32832802974978 0.88076444112135 0.23375530437951 127.600 > 85 88 Te 0.82832802974978 0.88076444112135 0.23375530437951 127.600 > 85 89 Te 0.32832802974978 0.36923555887865 0.73375530437951 127.600 > 89 90 Te 0.82832802974978 0.36923555887865 0.73375530437951 127.600 > 89 91 Te 0.32832802974978 0.86923555887865 0.73375530437951 127.600 > 89 92 Te 0.82832802974978 0.86923555887865 0.73375530437951 127.600 > 89 93 Te 0.17167197025022 0.11923555887865 0.76624469562049 127.600 > 93 94 Te 0.67167197025022 0.11923555887865 0.76624469562049 127.600 > 93 95 Te 0.17167197025022 0.61923555887865 0.76624469562049 127.600 > 93 96 Te 0.67167197025022 0.61923555887865 0.76624469562049 127.600 > 93 97 Te 0.47953534543654 0.36981614583662 0.07464748937500 127.600 > 97 98 Te 0.97953534543654 0.36981614583662 0.07464748937500 127.600 > 97 99 Te 0.47953534543654 0.86981614583662 0.07464748937500 127.600 > 97 100 Te 0.97953534543654 0.86981614583662 0.07464748937500 127.600 > 97 101 Te 0.02046465456346 0.11981614583662 0.42535251062500 127.600 > 101 102 Te 0.52046465456346 0.11981614583662 0.42535251062500 127.600 > 101 103 Te 0.02046465456346 0.61981614583662 0.42535251062500 127.600 > 101 104 Te 0.52046465456346 0.61981614583662 0.42535251062500 127.600 > 101 105 Te 0.02046465456346 0.13018385416338 0.92535251062500 127.600 > 105 106 Te 0.52046465456346 0.13018385416338 0.92535251062500 127.600 > 105 107 Te 0.02046465456346 0.63018385416338 0.92535251062500 127.600 > 105 108 Te 0.52046465456346 0.63018385416338 0.92535251062500 127.600 > 105 109 Te 0.47953534543654 0.38018385416338 0.57464748937500 127.600 > 109 110 Te 0.97953534543654 0.38018385416338 0.57464748937500 127.600 > 109 111 Te 0.47953534543654 0.88018385416338 0.57464748937500 127.600 > 109 112 Te 0.97953534543654 0.88018385416338 0.57464748937500 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6397546 0.0000000 -0.0439978 0.0000000 5.4257127 0.0000000 -0.0440088 0.0000000 5.6726495 -------------------------- Born effective charges -------------------------- 1 Na 1.0233187 -0.0547803 0.2649147 -0.0456691 1.2728554 -0.0486376 0.2626502 -0.0943487 1.3627451 2 Na 1.0233187 0.0547803 0.2649147 0.0456691 1.2728554 0.0486376 0.2626502 0.0943487 1.3627451 3 Na 1.0233187 -0.0547803 0.2649147 -0.0456691 1.2728554 -0.0486376 0.2626502 -0.0943487 1.3627451 4 Na 1.0233187 0.0547803 0.2649147 0.0456691 1.2728554 0.0486376 0.2626502 0.0943487 1.3627451 5 Na 1.3392138 -0.0165692 -0.1317949 0.0718754 1.0026310 -0.0600086 -0.1208470 -0.1089282 1.2331014 6 Na 1.3392138 0.0165692 -0.1317949 -0.0718754 1.0026310 0.0600086 -0.1208470 0.1089282 1.2331014 7 Na 1.3392138 -0.0165692 -0.1317949 0.0718754 1.0026310 -0.0600086 -0.1208470 -0.1089282 1.2331014 8 Na 1.3392138 0.0165692 -0.1317949 -0.0718754 1.0026310 0.0600086 -0.1208470 0.1089282 1.2331014 9 Na 1.3146711 -0.0155386 -0.1100080 -0.0517781 1.4311962 0.0676897 -0.1084536 -0.0646645 1.1931744 10 Na 1.3146711 0.0155386 -0.1100080 0.0517781 1.4311962 -0.0676897 -0.1084536 0.0646645 1.1931744 11 Na 1.3146711 -0.0155386 -0.1100080 -0.0517781 1.4311962 0.0676897 -0.1084536 -0.0646645 1.1931744 12 Na 1.3146711 0.0155386 -0.1100080 0.0517781 1.4311962 -0.0676897 -0.1084536 0.0646645 1.1931744 13 Al 2.2013429 -0.3986386 -0.0175468 -0.4045581 1.7960019 -0.5921764 -0.0488780 -0.5949967 2.2323837 14 Al 2.2013429 0.3986386 -0.0175468 0.4045581 1.7960019 0.5921764 -0.0488780 0.5949967 2.2323837 15 Al 2.2013429 -0.3986386 -0.0175468 -0.4045581 1.7960019 -0.5921764 -0.0488780 -0.5949967 2.2323837 16 Al 2.2013429 0.3986386 -0.0175468 0.4045581 1.7960019 0.5921764 -0.0488780 0.5949967 2.2323837 17 Te -1.4451413 -0.0567155 -0.4394683 -0.0925214 -2.2098755 -0.0603669 -0.4377509 -0.0938970 -1.9621988 18 Te -1.4451413 0.0567155 -0.4394683 0.0925214 -2.2098755 0.0603669 -0.4377509 0.0938970 -1.9621988 19 Te -1.4451413 -0.0567155 -0.4394683 -0.0925214 -2.2098755 -0.0603669 -0.4377509 -0.0938970 -1.9621988 20 Te -1.4451413 0.0567155 -0.4394683 0.0925214 -2.2098755 0.0603669 -0.4377509 0.0938970 -1.9621988 21 Te -1.8833418 0.1095487 0.3558082 0.0371130 -1.6478599 -0.4387636 0.5061282 -0.4035888 -2.4293693 22 Te -1.8833418 -0.1095487 0.3558082 -0.0371130 -1.6478599 0.4387636 0.5061282 0.4035888 -2.4293693 23 Te -1.8833418 0.1095487 0.3558082 0.0371130 -1.6478599 -0.4387636 0.5061282 -0.4035888 -2.4293693 24 Te -1.8833418 -0.1095487 0.3558082 -0.0371130 -1.6478599 0.4387636 0.5061282 0.4035888 -2.4293693 25 Te -2.5500634 0.4217223 0.0780952 0.4083817 -1.6449491 -0.0046015 -0.0528488 0.0493658 -1.6298365 26 Te -2.5500634 -0.4217223 0.0780952 -0.4083817 -1.6449491 0.0046015 -0.0528488 -0.0493658 -1.6298365 27 Te -2.5500634 0.4217223 0.0780952 0.4083817 -1.6449491 -0.0046015 -0.0528488 0.0493658 -1.6298365 28 Te -2.5500634 -0.4217223 0.0780952 -0.4083817 -1.6449491 0.0046015 -0.0528488 -0.0493658 -1.6298365 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000081 (xxx) -0.00000081 (xxx) -0.00000081 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 4 ] 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: 0.44, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 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 0.759 ( 0.000 0.000 0.000) 0.000 0.793 ( 0.000 0.000 0.000) 0.000 0.828 ( 0.000 0.000 0.000) 0.000 0.835 ( 0.000 0.000 0.000) 0.000 0.888 ( 0.000 0.000 0.000) 0.000 0.936 ( 0.000 0.000 0.000) 0.000 1.047 ( 0.000 0.000 0.000) 0.000 1.071 ( 0.000 0.000 0.000) 0.000 1.139 ( 0.000 0.000 0.000) 0.000 1.391 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 1.587 ( 0.000 0.000 0.000) 0.000 1.625 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.199 ( 0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.427 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.903 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 9.968 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 13.643 0.000 1.724) 13.751 0.292 ( 10.265 0.000 10.225) 14.489 0.511 ( 17.952 0.000 13.116) 22.233 0.710 ( 0.549 0.000 -10.276) 10.290 0.712 ( -2.530 0.000 -1.672) 3.033 0.828 ( 2.113 0.000 0.748) 2.241 0.884 ( 2.050 0.000 -3.331) 3.912 0.913 ( -1.371 0.000 -2.382) 2.749 0.947 ( 2.226 0.000 3.064) 3.787 1.052 ( 0.072 0.000 -2.648) 2.649 1.060 ( 0.235 0.000 2.990) 2.999 1.177 ( 0.591 0.000 6.500) 6.527 1.325 ( -3.595 0.000 -5.283) 6.390 1.538 ( -5.844 0.000 -0.606) 5.875 1.544 ( -3.776 0.000 -1.488) 4.058 1.552 ( -0.874 0.000 0.711) 1.127 1.610 ( 0.433 0.000 -2.893) 2.925 1.639 ( 3.393 0.000 2.882) 4.452 1.735 ( 1.840 0.000 2.826) 3.372 1.808 ( -2.966 0.000 -1.735) 3.437 1.978 ( 1.594 0.000 0.979) 1.871 1.990 ( 1.760 0.000 -0.020) 1.760 2.035 ( 0.557 0.000 -3.318) 3.364 2.056 ( -1.959 0.000 -1.361) 2.386 2.128 ( 1.083 0.000 3.889) 4.037 2.196 ( -1.943 0.000 -0.542) 2.017 2.266 ( -3.368 0.000 -3.003) 4.512 2.293 ( -4.683 0.000 1.190) 4.831 2.402 ( 1.320 0.000 1.082) 1.707 2.423 ( 2.784 0.000 -2.035) 3.448 2.467 ( 4.677 0.000 -2.736) 5.419 2.469 ( 2.532 0.000 -0.049) 2.532 2.580 ( -3.287 0.000 -6.979) 7.714 2.582 ( 0.651 0.000 1.049) 1.234 2.644 ( 5.930 0.000 1.603) 6.143 2.721 ( 6.467 0.000 -8.830) 10.945 2.990 ( -0.248 0.000 1.359) 1.381 2.997 ( 1.214 0.000 0.038) 1.215 3.102 ( -0.245 0.000 3.499) 3.508 3.134 ( -0.790 0.000 0.229) 0.823 3.202 ( -1.688 0.000 -1.746) 2.429 3.206 ( 0.394 0.000 3.327) 3.350 3.261 ( 3.049 0.000 2.541) 3.969 3.266 ( -3.250 0.000 -0.333) 3.268 3.337 ( -1.067 0.000 -0.239) 1.093 3.407 ( 2.649 0.000 -2.138) 3.404 3.486 ( -2.334 0.000 -0.207) 2.344 3.487 ( -0.302 0.000 -3.156) 3.171 3.638 ( 0.545 0.000 1.654) 1.742 3.690 ( 1.194 0.000 3.643) 3.834 3.735 ( -0.778 0.000 -2.302) 2.430 3.792 ( -2.255 0.000 1.541) 2.731 3.861 ( 2.249 0.000 1.093) 2.500 3.910 ( -2.796 0.000 -3.464) 4.452 3.918 ( 0.853 0.000 2.037) 2.208 4.050 ( 1.258 0.000 5.014) 5.169 4.077 ( 0.693 0.000 0.736) 1.011 4.188 ( -0.715 0.000 1.344) 1.522 4.195 ( -4.897 0.000 -0.683) 4.944 4.231 ( 0.271 0.000 -1.870) 1.889 4.365 ( 3.718 0.000 -4.855) 6.115 4.387 ( -2.832 0.000 -2.957) 4.094 4.389 ( -2.366 0.000 -1.211) 2.658 4.520 ( 1.707 0.000 -2.626) 3.132 4.531 ( 4.629 0.000 4.025) 6.134 4.569 ( 0.205 0.000 2.006) 2.016 4.625 ( 1.567 0.000 1.246) 2.002 4.697 ( 0.922 0.000 -0.606) 1.104 4.822 ( -0.488 0.000 1.165) 1.263 4.831 ( -1.983 0.000 0.523) 2.051 5.060 ( -3.989 0.000 -0.546) 4.026 5.257 ( -5.872 0.000 5.837) 8.280 7.128 ( 0.069 0.000 0.028) 0.075 7.144 ( -0.089 0.000 -0.014) 0.090 8.454 ( -2.804 0.000 2.025) 3.459 8.730 ( -7.391 0.000 0.348) 7.399 9.648 ( -5.903 0.000 12.442) 13.771 9.737 ( 2.212 0.000 -2.774) 3.547 9.872 ( 2.723 0.000 3.085) 4.115 9.941 ( -2.328 0.000 -0.425) 2.367 9.952 ( 2.902 0.000 1.734) 3.380 10.079 ( 1.245 0.000 -1.113) 1.670 10.109 ( 9.845 0.000 -13.553) 16.751 10.278 ( 2.149 0.000 0.053) 2.150 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 10.721 0.000 2.631) 11.039 0.564 ( 8.170 0.000 9.974) 12.893 0.616 ( 3.804 0.000 -8.396) 9.218 0.669 ( -1.174 0.000 0.615) 1.326 0.791 ( -0.767 0.000 -3.133) 3.225 0.871 ( 5.701 0.000 -7.052) 9.069 0.900 ( 1.749 0.000 -0.308) 1.775 0.919 ( 2.208 0.000 2.324) 3.206 0.948 ( -2.730 0.000 -1.326) 3.035 1.117 ( 7.577 0.000 7.612) 10.740 1.125 ( 1.777 0.000 4.997) 5.303 1.213 ( -2.896 0.000 -2.020) 3.531 1.266 ( 2.502 0.000 6.455) 6.923 1.425 ( -6.747 0.000 -1.394) 6.890 1.453 ( -2.637 0.000 0.114) 2.639 1.528 ( -1.279 0.000 -1.196) 1.751 1.590 ( 0.624 0.000 -4.517) 4.560 1.722 ( 1.339 0.000 1.937) 2.355 1.763 ( -0.642 0.000 -0.763) 0.997 1.793 ( 2.474 0.000 2.986) 3.878 1.967 ( -0.762 0.000 -4.511) 4.575 1.993 ( -2.289 0.000 -3.221) 3.952 2.014 ( -0.651 0.000 0.001) 0.651 2.024 ( 1.177 0.000 -2.328) 2.609 2.097 ( -4.968 0.000 0.337) 4.979 2.149 ( -2.602 0.000 0.877) 2.746 2.205 ( -3.780 0.000 -0.511) 3.815 2.226 ( -0.618 0.000 -0.610) 0.869 2.399 ( -3.215 0.000 -3.693) 4.897 2.444 ( 0.515 0.000 2.836) 2.882 2.462 ( 1.506 0.000 0.387) 1.555 2.528 ( 3.110 0.000 1.436) 3.426 2.609 ( 0.747 0.000 1.546) 1.717 2.631 ( 8.367 0.000 -0.557) 8.385 2.751 ( 3.941 0.000 1.141) 4.103 2.767 ( 5.878 0.000 -4.221) 7.237 3.008 ( 0.261 0.000 2.053) 2.069 3.019 ( 1.146 0.000 0.043) 1.147 3.111 ( -0.419 0.000 -1.204) 1.275 3.133 ( -0.098 0.000 0.766) 0.772 3.177 ( 0.861 0.000 -1.027) 1.340 3.203 ( -3.200 0.000 0.292) 3.214 3.258 ( 0.310 0.000 2.537) 2.556 3.297 ( -0.880 0.000 0.896) 1.256 3.307 ( -0.852 0.000 -0.376) 0.932 3.400 ( -0.629 0.000 -2.549) 2.625 3.448 ( -1.412 0.000 -2.033) 2.476 3.486 ( 1.854 0.000 2.460) 3.080 3.656 ( 0.065 0.000 -1.015) 1.017 3.675 ( -1.841 0.000 -1.911) 2.653 3.755 ( 1.257 0.000 1.486) 1.946 3.757 ( -1.949 0.000 0.322) 1.976 3.841 ( -0.726 0.000 -2.297) 2.409 3.900 ( 1.527 0.000 -0.357) 1.569 3.974 ( 0.256 0.000 5.313) 5.319 4.089 ( -0.359 0.000 1.549) 1.590 4.122 ( 0.230 0.000 5.674) 5.679 4.163 ( 0.710 0.000 0.821) 1.086 4.189 ( -0.441 0.000 0.464) 0.640 4.223 ( 1.061 0.000 -1.318) 1.692 4.305 ( -1.734 0.000 -2.697) 3.207 4.325 ( -2.030 0.000 -1.482) 2.513 4.404 ( 4.686 0.000 -4.845) 6.741 4.491 ( -1.502 0.000 -2.774) 3.155 4.570 ( -1.797 0.000 1.354) 2.250 4.637 ( 3.599 0.000 0.289) 3.610 4.654 ( -0.115 0.000 1.178) 1.183 4.715 ( 1.519 0.000 -0.148) 1.527 4.804 ( -0.498 0.000 -0.515) 0.717 4.823 ( -0.912 0.000 1.282) 1.573 4.969 ( -4.746 0.000 -0.511) 4.774 5.188 ( -5.613 0.000 1.528) 5.818 7.130 ( 0.187 0.000 0.030) 0.189 7.142 ( -0.051 0.000 -0.034) 0.061 8.418 ( -3.383 0.000 2.361) 4.125 8.579 ( -7.248 0.000 -2.242) 7.587 9.684 ( -0.283 0.000 5.093) 5.101 9.758 ( 3.732 0.000 -3.719) 5.268 9.890 ( -2.588 0.000 -0.547) 2.645 9.937 ( 2.365 0.000 0.364) 2.393 10.034 ( 2.929 0.000 2.264) 3.702 10.085 ( 1.126 0.000 -1.789) 2.114 10.170 ( 5.561 0.000 -2.114) 5.949 10.322 ( 1.782 0.000 1.002) 2.045 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 2.590 0.000 -1.175) 2.844 0.635 ( -1.310 0.000 1.194) 1.772 0.716 ( 8.274 0.000 -0.758) 8.308 0.727 ( -1.963 0.000 -1.071) 2.237 0.808 ( 5.827 0.000 6.474) 8.710 0.856 ( -3.950 0.000 -3.045) 4.988 0.874 ( 2.343 0.000 -4.623) 5.183 0.895 ( -3.304 0.000 0.949) 3.438 0.930 ( 2.242 0.000 -1.188) 2.537 1.107 ( -5.374 0.000 -2.222) 5.816 1.247 ( 2.507 0.000 3.912) 4.646 1.267 ( 1.398 0.000 2.852) 3.176 1.367 ( 1.873 0.000 2.206) 2.894 1.391 ( 1.323 0.000 0.718) 1.506 1.478 ( -4.490 0.000 -0.311) 4.501 1.495 ( 4.928 0.000 6.451) 8.118 1.531 ( -0.105 0.000 -5.462) 5.463 1.737 ( -0.172 0.000 0.674) 0.695 1.763 ( 0.413 0.000 0.206) 0.461 1.845 ( 0.847 0.000 -1.670) 1.873 1.905 ( -0.741 0.000 -3.083) 3.170 1.924 ( -1.720 0.000 0.050) 1.720 1.960 ( -2.205 0.000 -2.808) 3.570 2.012 ( 0.062 0.000 1.171) 1.173 2.070 ( -3.637 0.000 -1.112) 3.803 2.089 ( 0.411 0.000 0.612) 0.737 2.169 ( -0.627 0.000 -0.615) 0.878 2.216 ( 0.178 0.000 -0.589) 0.615 2.336 ( -1.101 0.000 -0.998) 1.486 2.462 ( -0.520 0.000 1.118) 1.233 2.494 ( 0.906 0.000 0.432) 1.004 2.600 ( 2.188 0.000 1.748) 2.801 2.631 ( -0.102 0.000 1.053) 1.058 2.752 ( 4.693 0.000 0.123) 4.695 2.795 ( -0.090 0.000 0.470) 0.479 2.826 ( 2.732 0.000 -0.797) 2.846 3.021 ( -0.381 0.000 0.241) 0.450 3.034 ( 0.470 0.000 -0.125) 0.486 3.111 ( 0.159 0.000 1.880) 1.886 3.149 ( 0.835 0.000 1.652) 1.851 3.150 ( 0.362 0.000 -2.516) 2.541 3.208 ( 0.174 0.000 2.031) 2.039 3.213 ( -2.358 0.000 -2.470) 3.415 3.288 ( -0.250 0.000 0.042) 0.253 3.343 ( 0.869 0.000 2.220) 2.384 3.346 ( -1.797 0.000 -2.933) 3.440 3.400 ( -1.017 0.000 -1.490) 1.804 3.563 ( 2.840 0.000 2.531) 3.804 3.606 ( -1.513 0.000 -2.246) 2.708 3.625 ( -1.888 0.000 -1.669) 2.520 3.767 ( 0.857 0.000 0.810) 1.179 3.775 ( 0.433 0.000 -0.023) 0.434 3.827 ( -0.078 0.000 -0.076) 0.109 3.914 ( 0.420 0.000 -0.078) 0.427 4.009 ( -0.537 0.000 2.502) 2.559 4.111 ( 0.623 0.000 1.685) 1.796 4.159 ( -1.270 0.000 4.154) 4.344 4.171 ( -0.463 0.000 -0.859) 0.976 4.176 ( 0.136 0.000 -2.068) 2.072 4.243 ( 1.032 0.000 0.314) 1.079 4.274 ( -0.257 0.000 -0.273) 0.375 4.327 ( 2.008 0.000 2.208) 2.985 4.415 ( -2.875 0.000 -3.792) 4.759 4.428 ( 2.844 0.000 -4.041) 4.942 4.546 ( -1.659 0.000 1.171) 2.030 4.653 ( -0.522 0.000 0.476) 0.707 4.675 ( 1.361 0.000 -0.678) 1.521 4.739 ( 0.796 0.000 0.063) 0.798 4.804 ( 0.461 0.000 -0.193) 0.500 4.811 ( -0.846 0.000 0.018) 0.846 4.908 ( -1.826 0.000 0.499) 1.893 5.111 ( -3.033 0.000 0.151) 3.037 7.134 ( 0.126 0.000 0.016) 0.127 7.141 ( 0.011 0.000 -0.011) 0.015 8.390 ( -1.455 0.000 1.027) 1.781 8.463 ( -3.045 0.000 -1.121) 3.245 9.723 ( 0.411 0.000 1.641) 1.692 9.789 ( 2.822 0.000 -2.332) 3.661 9.845 ( -2.040 0.000 0.381) 2.075 9.967 ( 0.932 0.000 -0.176) 0.949 10.083 ( 0.937 0.000 0.678) 1.157 10.086 ( 0.482 0.000 -0.842) 0.970 10.239 ( 2.208 0.000 0.332) 2.233 10.351 ( 0.495 0.000 0.603) 0.780 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( 0.000 9.048 0.000) 9.048 0.276 ( 0.000 14.577 0.000) 14.577 0.485 ( 0.000 24.750 0.000) 24.750 0.767 ( 0.000 -1.516 0.000) 1.516 0.768 ( 0.000 1.076 0.000) 1.076 0.828 ( 0.000 0.152 0.000) 0.152 0.857 ( 0.000 0.745 0.000) 0.745 0.898 ( 0.000 -3.410 0.000) 3.410 0.904 ( 0.000 1.652 0.000) 1.652 1.043 ( 0.000 -2.032 0.000) 2.032 1.055 ( 0.000 0.265 0.000) 0.265 1.098 ( 0.000 -3.828 0.000) 3.828 1.391 ( 0.000 -2.502 0.000) 2.502 1.456 ( 0.000 -7.084 0.000) 7.084 1.526 ( 0.000 -5.703 0.000) 5.703 1.598 ( 0.000 1.259 0.000) 1.259 1.599 ( 0.000 2.322 0.000) 2.322 1.687 ( 0.000 1.474 0.000) 1.474 1.722 ( 0.000 2.552 0.000) 2.552 1.850 ( 0.000 -2.102 0.000) 2.102 1.942 ( 0.000 -1.160 0.000) 1.160 1.986 ( 0.000 3.060 0.000) 3.060 2.056 ( 0.000 -3.196 0.000) 3.196 2.089 ( 0.000 0.806 0.000) 0.806 2.113 ( 0.000 2.138 0.000) 2.138 2.156 ( 0.000 -3.671 0.000) 3.671 2.234 ( 0.000 -2.199 0.000) 2.199 2.297 ( 0.000 -2.777 0.000) 2.777 2.385 ( 0.000 0.321 0.000) 0.321 2.393 ( 0.000 -0.371 0.000) 0.371 2.453 ( 0.000 2.272 0.000) 2.272 2.512 ( 0.000 -5.162 0.000) 5.162 2.563 ( 0.000 4.560 0.000) 4.560 2.565 ( 0.000 2.156 0.000) 2.156 2.624 ( 0.000 -0.096 0.000) 0.096 2.676 ( 0.000 1.284 0.000) 1.284 3.015 ( 0.000 2.773 0.000) 2.773 3.032 ( 0.000 3.969 0.000) 3.969 3.067 ( 0.000 0.481 0.000) 0.481 3.166 ( 0.000 1.058 0.000) 1.058 3.223 ( 0.000 2.125 0.000) 2.125 3.238 ( 0.000 0.735 0.000) 0.735 3.290 ( 0.000 2.051 0.000) 2.051 3.335 ( 0.000 -0.799 0.000) 0.799 3.343 ( 0.000 3.586 0.000) 3.586 3.377 ( 0.000 0.231 0.000) 0.231 3.479 ( 0.000 -0.641 0.000) 0.641 3.620 ( 0.000 -2.476 0.000) 2.476 3.633 ( 0.000 1.280 0.000) 1.280 3.723 ( 0.000 -0.748 0.000) 0.748 3.740 ( 0.000 -0.626 0.000) 0.626 3.781 ( 0.000 0.845 0.000) 0.845 3.841 ( 0.000 -0.787 0.000) 0.787 3.850 ( 0.000 -0.878 0.000) 0.878 3.921 ( 0.000 1.780 0.000) 1.780 4.025 ( 0.000 2.371 0.000) 2.371 4.135 ( 0.000 1.044 0.000) 1.044 4.185 ( 0.000 -0.337 0.000) 0.337 4.232 ( 0.000 -0.305 0.000) 0.305 4.282 ( 0.000 -0.333 0.000) 0.333 4.290 ( 0.000 -2.199 0.000) 2.199 4.347 ( 0.000 -0.706 0.000) 0.706 4.385 ( 0.000 2.466 0.000) 2.466 4.477 ( 0.000 -0.131 0.000) 0.131 4.503 ( 0.000 -1.390 0.000) 1.390 4.539 ( 0.000 0.310 0.000) 0.310 4.581 ( 0.000 -2.028 0.000) 2.028 4.659 ( 0.000 -3.477 0.000) 3.477 4.758 ( 0.000 -2.001 0.000) 2.001 4.985 ( 0.000 -7.823 0.000) 7.823 5.040 ( 0.000 0.844 0.000) 0.844 5.196 ( 0.000 2.556 0.000) 2.556 7.132 ( 0.000 0.470 0.000) 0.470 7.147 ( 0.000 0.254 0.000) 0.254 8.761 ( 0.000 3.106 0.000) 3.106 8.895 ( 0.000 1.302 0.000) 1.302 9.482 ( 0.000 1.834 0.000) 1.834 9.736 ( 0.000 -1.785 0.000) 1.785 9.836 ( 0.000 1.361 0.000) 1.361 9.888 ( 0.000 0.810 0.000) 0.810 9.919 ( 0.000 1.401 0.000) 1.401 10.006 ( 0.000 3.009 0.000) 3.009 10.078 ( 0.000 0.860 0.000) 0.860 10.243 ( 0.000 -1.424 0.000) 1.424 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 12.377 4.904 -0.119) 13.314 0.335 ( 6.638 8.098 4.239) 11.296 0.672 ( 4.785 7.425 0.298) 8.838 0.730 ( 2.834 6.425 1.176) 7.120 0.761 ( 0.696 2.680 -2.211) 3.543 0.821 ( 2.308 1.641 0.286) 2.846 0.846 ( 0.457 -1.563 -0.514) 1.707 0.925 ( 0.567 -0.668 0.208) 0.901 0.952 ( 4.041 1.445 2.073) 4.766 1.027 ( 0.579 -1.857 -0.829) 2.114 1.069 ( 0.455 0.334 2.916) 2.970 1.155 ( 1.688 -1.697 4.230) 4.860 1.376 ( -1.303 1.212 -1.058) 2.070 1.431 ( -2.338 -5.694 -2.484) 6.637 1.480 ( -4.729 -5.156 -0.286) 7.002 1.534 ( -1.600 -1.934 -5.271) 5.838 1.624 ( 0.497 0.168 0.819) 0.973 1.666 ( -0.056 1.851 1.882) 2.640 1.757 ( 1.192 1.217 1.632) 2.359 1.820 ( -2.198 -0.549 -1.858) 2.930 1.946 ( 1.641 -2.231 -1.721) 3.260 1.983 ( -0.523 -1.165 -1.049) 1.652 2.052 ( 1.030 2.856 -0.417) 3.065 2.067 ( -1.637 0.476 0.323) 1.735 2.148 ( 0.869 1.523 3.571) 3.979 2.177 ( 0.263 -1.775 -0.536) 1.873 2.223 ( -1.330 -2.822 -2.223) 3.831 2.286 ( 1.533 -3.143 -0.565) 3.542 2.352 ( -2.461 0.421 0.662) 2.583 2.415 ( 1.079 -0.972 -1.480) 2.073 2.440 ( 0.549 -0.130 0.849) 1.020 2.519 ( -0.389 -2.400 1.332) 2.773 2.557 ( 2.496 0.860 -3.002) 3.997 2.567 ( -3.346 -0.788 -3.149) 4.662 2.652 ( 5.379 0.744 1.017) 5.524 2.736 ( 6.254 1.737 -4.145) 7.702 3.006 ( -0.738 2.196 0.616) 2.397 3.038 ( 1.104 3.300 0.190) 3.484 3.106 ( 1.044 1.120 2.067) 2.573 3.143 ( -1.103 0.402 0.573) 1.306 3.215 ( -1.700 1.503 -0.729) 2.383 3.263 ( 0.608 2.998 1.415) 3.371 3.280 ( -0.851 1.504 2.701) 3.206 3.294 ( -1.611 2.697 -1.098) 3.328 3.334 ( -1.338 -0.177 0.149) 1.358 3.418 ( 2.637 0.940 -1.188) 3.041 3.479 ( -0.351 0.326 0.066) 0.483 3.560 ( -4.822 4.130 -5.176) 8.191 3.632 ( 1.044 -1.088 1.398) 2.056 3.672 ( 1.057 -1.000 1.829) 2.337 3.750 ( -0.553 0.905 -0.713) 1.278 3.774 ( -0.724 -0.632 -0.176) 0.977 3.854 ( 0.416 -1.195 0.158) 1.275 3.862 ( 1.414 -0.924 -0.419) 1.741 3.943 ( -0.025 0.307 1.082) 1.125 4.071 ( -0.378 1.227 5.198) 5.354 4.105 ( -0.326 2.240 -0.003) 2.264 4.174 ( -1.155 -0.649 -0.435) 1.394 4.212 ( -2.445 0.799 0.354) 2.597 4.228 ( -0.125 -0.199 -1.249) 1.271 4.321 ( 0.821 -1.552 -1.717) 2.456 4.371 ( 1.464 -0.586 -0.135) 1.582 4.426 ( -1.718 0.661 -2.848) 3.391 4.500 ( 2.068 -1.513 -0.396) 2.593 4.511 ( 2.440 -2.003 3.341) 4.596 4.573 ( 1.150 -0.385 2.457) 2.739 4.609 ( 1.973 -1.504 0.176) 2.487 4.643 ( -0.791 -3.857 -0.850) 4.028 4.771 ( -0.093 -2.727 2.725) 3.856 4.854 ( -3.810 -1.309 -4.716) 6.202 5.053 ( -2.854 -1.473 1.278) 3.456 5.201 ( -2.948 -2.737 2.624) 4.803 7.131 ( -0.018 0.391 0.051) 0.395 7.148 ( -0.012 0.384 0.061) 0.389 8.603 ( -7.987 10.463 -2.606) 13.419 8.760 ( -7.568 2.901 -0.001) 8.105 9.611 ( -0.200 -2.878 9.043) 9.492 9.725 ( 0.855 -1.228 -1.399) 2.049 9.858 ( 3.105 -0.557 -0.692) 3.229 9.925 ( -0.260 0.799 -0.063) 0.843 9.994 ( 4.490 0.934 -0.635) 4.629 10.037 ( 5.189 -0.156 -0.919) 5.272 10.115 ( 3.672 0.945 -1.332) 4.019 10.260 ( 2.019 -1.862 -0.426) 2.779 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 7.857 1.978 4.605) 9.319 0.547 ( 10.818 0.036 2.469) 11.097 0.665 ( 2.859 4.637 -4.436) 7.025 0.703 ( -1.447 3.772 0.506) 4.071 0.760 ( 0.947 -0.634 -2.283) 2.552 0.892 ( 1.882 -0.303 1.148) 2.225 0.909 ( -0.749 -0.543 -1.288) 1.586 0.944 ( -0.626 2.303 1.361) 2.748 0.989 ( 3.713 3.380 -5.513) 7.457 1.130 ( 1.402 -0.024 3.380) 3.659 1.165 ( 6.210 4.283 4.722) 8.899 1.194 ( 0.799 1.553 3.471) 3.885 1.329 ( -0.063 -0.190 -0.610) 0.642 1.349 ( -4.015 -1.812 0.333) 4.417 1.416 ( -0.091 -2.120 1.933) 2.870 1.481 ( -0.933 -3.993 -1.862) 4.503 1.615 ( -0.439 0.891 -1.490) 1.791 1.710 ( 1.379 -1.296 0.385) 1.931 1.771 ( -1.368 -0.017 -0.886) 1.630 1.803 ( 2.079 0.174 1.701) 2.691 1.932 ( -0.623 -1.277 -2.765) 3.109 1.972 ( 0.268 -1.588 -0.969) 1.879 2.030 ( -0.938 2.326 -1.974) 3.191 2.053 ( -0.905 0.826 -1.406) 1.865 2.108 ( -3.975 1.189 -0.311) 4.160 2.174 ( -1.997 1.900 1.061) 2.953 2.203 ( -0.122 -0.319 -1.020) 1.076 2.243 ( -3.901 1.334 -0.018) 4.123 2.376 ( 0.106 -2.513 -1.373) 2.866 2.412 ( 0.143 -2.313 0.405) 2.352 2.434 ( 0.734 -2.219 -0.653) 2.426 2.527 ( 4.330 -0.899 -0.017) 4.423 2.559 ( 0.658 -2.403 3.047) 3.936 2.630 ( 5.142 -1.415 0.316) 5.343 2.742 ( 3.071 -0.785 0.666) 3.238 2.784 ( 3.743 0.673 -3.066) 4.886 3.004 ( -0.374 0.857 0.597) 1.110 3.064 ( 0.445 2.979 1.041) 3.186 3.115 ( -0.204 0.775 -0.111) 0.809 3.150 ( -0.568 1.108 -0.180) 1.258 3.181 ( 0.299 0.599 -0.856) 1.087 3.226 ( -2.090 2.104 0.046) 2.966 3.289 ( -1.737 -0.973 0.152) 1.997 3.297 ( -0.083 3.459 2.380) 4.200 3.321 ( -0.687 1.720 0.401) 1.895 3.416 ( -0.957 1.573 -2.376) 3.006 3.460 ( -1.165 1.299 -1.500) 2.301 3.497 ( 0.843 0.784 1.649) 2.011 3.653 ( 0.054 -0.374 -2.481) 2.510 3.681 ( -0.835 -0.623 0.693) 1.252 3.734 ( 0.476 1.034 -1.791) 2.122 3.774 ( -0.040 0.424 2.112) 2.154 3.847 ( 0.125 0.582 -0.758) 0.964 3.896 ( 1.336 -0.401 -0.181) 1.406 3.961 ( -0.073 -1.352 3.335) 3.599 4.095 ( 0.236 0.940 1.400) 1.703 4.101 ( -1.393 -1.410 2.196) 2.958 4.189 ( 0.781 1.562 2.562) 3.101 4.204 ( -0.649 1.222 1.529) 2.062 4.220 ( 0.419 -0.150 -0.474) 0.651 4.291 ( -0.997 -0.489 -2.358) 2.607 4.347 ( -1.950 1.265 -2.244) 3.231 4.399 ( 2.731 -0.425 -3.650) 4.579 4.500 ( -0.738 0.749 -1.297) 1.670 4.547 ( -1.159 -2.293 -0.039) 2.570 4.606 ( -0.754 -5.078 1.177) 5.266 4.622 ( 2.024 -1.477 0.645) 2.587 4.660 ( 2.167 -3.932 -0.640) 4.535 4.774 ( -1.412 -3.197 -2.976) 4.590 4.806 ( 0.077 -2.049 3.963) 4.462 4.989 ( -4.054 1.272 -0.718) 4.310 5.144 ( -4.794 -4.011 1.256) 6.376 7.133 ( 0.162 0.322 0.046) 0.364 7.147 ( -0.085 0.471 0.001) 0.478 8.490 ( -4.748 6.766 1.070) 8.335 8.614 ( -7.056 3.337 -1.760) 8.001 9.675 ( 0.590 -1.267 4.276) 4.499 9.738 ( 2.473 -2.050 -2.407) 4.014 9.900 ( -1.158 1.718 -1.136) 2.362 9.904 ( 2.295 -1.587 -0.500) 2.835 10.066 ( 2.675 2.880 1.555) 4.227 10.115 ( 2.421 1.509 1.214) 3.100 10.162 ( 4.358 -0.217 -2.206) 4.889 10.298 ( 1.944 -2.411 0.310) 3.113 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.626 ( 0.783 1.764 2.225) 2.945 0.660 ( 1.096 2.856 -2.426) 3.904 0.732 ( 5.700 1.407 0.195) 5.875 0.764 ( 3.060 2.207 3.476) 5.131 0.816 ( 4.712 2.420 4.819) 7.161 0.846 ( -1.762 -0.216 -3.098) 3.571 0.897 ( -3.120 0.481 1.551) 3.518 0.932 ( 0.865 1.054 -1.390) 1.947 0.945 ( -0.711 6.036 -6.884) 9.183 1.069 ( -5.493 -3.491 -3.863) 7.569 1.230 ( 3.031 -1.554 3.137) 4.631 1.275 ( -1.276 -3.933 1.398) 4.365 1.308 ( 2.657 0.865 1.689) 3.265 1.408 ( 2.086 -0.393 -2.136) 3.012 1.462 ( -3.139 -0.310 4.442) 5.448 1.535 ( 6.197 3.045 3.721) 7.843 1.577 ( -1.181 3.503 -1.481) 3.983 1.709 ( -0.139 -3.823 -1.376) 4.065 1.756 ( -0.378 1.061 1.034) 1.529 1.839 ( 1.285 -0.830 -0.996) 1.826 1.904 ( -0.540 0.812 -1.040) 1.426 1.968 ( 1.224 -0.625 -2.125) 2.531 1.990 ( -1.635 4.656 -0.401) 4.951 2.009 ( -1.851 1.404 0.710) 2.429 2.047 ( -2.553 0.588 -1.102) 2.842 2.139 ( -0.939 1.631 -0.114) 1.885 2.185 ( -0.785 1.769 -0.582) 2.021 2.207 ( -0.196 -0.581 -0.546) 0.822 2.331 ( -0.974 -0.126 -1.045) 1.435 2.435 ( 0.232 -2.565 0.796) 2.696 2.463 ( 0.869 -3.021 0.637) 3.207 2.595 ( 1.885 -0.666 0.880) 2.184 2.603 ( 1.041 -2.741 1.395) 3.248 2.727 ( 4.261 -2.596 0.443) 5.009 2.770 ( -0.551 -2.593 0.541) 2.705 2.808 ( 1.058 -2.032 -0.811) 2.430 3.002 ( -0.159 -0.423 0.025) 0.453 3.044 ( -1.442 0.500 -0.777) 1.713 3.117 ( -0.438 0.465 0.700) 0.947 3.163 ( 1.251 1.052 1.776) 2.414 3.178 ( 1.406 1.676 -1.496) 2.650 3.237 ( -1.623 1.683 -2.433) 3.374 3.245 ( 0.303 4.087 2.955) 5.053 3.275 ( -0.748 -1.083 0.195) 1.330 3.342 ( -1.077 0.245 -2.704) 2.921 3.372 ( -0.305 2.876 1.813) 3.413 3.424 ( -0.823 2.427 -1.289) 2.869 3.555 ( 1.360 -1.202 2.199) 2.851 3.608 ( -0.257 0.387 -2.969) 3.006 3.651 ( -1.451 2.469 -0.735) 2.957 3.761 ( 1.327 -0.107 1.226) 1.809 3.782 ( -0.173 0.616 -0.349) 0.729 3.846 ( 0.028 1.751 0.248) 1.769 3.910 ( 0.602 -0.480 -0.377) 0.857 3.983 ( -0.737 -2.595 2.075) 3.403 4.107 ( 0.235 -2.056 0.685) 2.180 4.113 ( -0.058 -0.552 0.897) 1.054 4.199 ( 0.146 2.203 -1.281) 2.553 4.210 ( -1.208 1.867 2.401) 3.273 4.231 ( 0.395 -1.029 0.777) 1.349 4.256 ( -0.475 -0.889 -1.104) 1.495 4.345 ( 1.732 0.381 1.643) 2.418 4.400 ( 0.549 -1.035 -2.975) 3.197 4.445 ( -1.022 1.434 -3.772) 4.163 4.528 ( -0.916 -1.725 0.866) 2.137 4.610 ( -0.356 -4.304 0.815) 4.395 4.647 ( 0.560 -3.275 -0.101) 3.324 4.691 ( 1.474 -4.851 -0.038) 5.071 4.733 ( -0.758 -2.692 -1.322) 3.094 4.849 ( 1.038 -1.233 2.861) 3.284 4.910 ( -2.992 0.905 -1.916) 3.666 5.082 ( -2.409 -2.683 0.517) 3.643 7.137 ( 0.167 0.325 0.017) 0.365 7.145 ( -0.078 0.367 -0.021) 0.376 8.442 ( -1.731 5.073 0.703) 5.406 8.504 ( -3.002 3.936 -0.885) 5.028 9.716 ( 0.573 -1.156 1.387) 1.894 9.757 ( 1.404 -3.174 -1.264) 3.693 9.872 ( -0.770 3.009 -0.411) 3.133 9.931 ( 0.963 -1.552 -0.301) 1.851 10.110 ( 0.933 2.451 0.598) 2.690 10.139 ( 0.476 3.772 -0.323) 3.816 10.223 ( 2.148 -1.647 0.320) 2.725 10.325 ( 0.633 -2.577 0.310) 2.672 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 0.000 9.545 0.000) 9.545 0.536 ( 0.000 13.100 0.000) 13.100 0.745 ( 0.000 -0.640 0.000) 0.640 0.801 ( 0.000 2.306 0.000) 2.306 0.810 ( 0.000 -3.657 0.000) 3.657 0.836 ( 0.000 0.835 0.000) 0.835 0.850 ( 0.000 -0.897 0.000) 0.897 0.901 ( 0.000 15.164 0.000) 15.164 0.942 ( 0.000 2.162 0.000) 2.162 1.026 ( 0.000 0.346 0.000) 0.346 1.029 ( 0.000 -2.720 0.000) 2.720 1.060 ( 0.000 1.203 0.000) 1.203 1.290 ( 0.000 -6.665 0.000) 6.665 1.334 ( 0.000 -5.359 0.000) 5.359 1.413 ( 0.000 -5.979 0.000) 5.979 1.608 ( 0.000 -0.765 0.000) 0.765 1.669 ( 0.000 2.061 0.000) 2.061 1.670 ( 0.000 -2.796 0.000) 2.796 1.753 ( 0.000 2.042 0.000) 2.042 1.801 ( 0.000 -2.886 0.000) 2.886 1.933 ( 0.000 -4.402 0.000) 4.402 1.936 ( 0.000 0.209 0.000) 0.209 2.072 ( 0.000 -0.676 0.000) 0.676 2.106 ( 0.000 0.841 0.000) 0.841 2.137 ( 0.000 3.424 0.000) 3.424 2.152 ( 0.000 1.776 0.000) 1.776 2.202 ( 0.000 -1.007 0.000) 1.007 2.251 ( 0.000 -1.683 0.000) 1.683 2.376 ( 0.000 -1.281 0.000) 1.281 2.378 ( 0.000 -2.362 0.000) 2.362 2.418 ( 0.000 -1.906 0.000) 1.906 2.509 ( 0.000 3.434 0.000) 3.434 2.566 ( 0.000 -2.738 0.000) 2.738 2.623 ( 0.000 0.964 0.000) 0.964 2.656 ( 0.000 4.717 0.000) 4.717 2.727 ( 0.000 2.808 0.000) 2.808 3.071 ( 0.000 2.594 0.000) 2.594 3.076 ( 0.000 0.425 0.000) 0.425 3.114 ( 0.000 4.410 0.000) 4.410 3.183 ( 0.000 0.944 0.000) 0.944 3.262 ( 0.000 1.884 0.000) 1.884 3.264 ( 0.000 1.600 0.000) 1.600 3.310 ( 0.000 -1.964 0.000) 1.964 3.337 ( 0.000 2.664 0.000) 2.664 3.368 ( 0.000 -1.306 0.000) 1.306 3.431 ( 0.000 5.522 0.000) 5.522 3.452 ( 0.000 -2.174 0.000) 2.174 3.595 ( 0.000 0.207 0.000) 0.207 3.665 ( 0.000 2.085 0.000) 2.085 3.715 ( 0.000 -0.201 0.000) 0.201 3.733 ( 0.000 -0.622 0.000) 0.622 3.784 ( 0.000 -1.025 0.000) 1.025 3.826 ( 0.000 -0.752 0.000) 0.752 3.838 ( 0.000 0.434 0.000) 0.434 3.961 ( 0.000 2.313 0.000) 2.313 4.049 ( 0.000 0.140 0.000) 0.140 4.169 ( 0.000 1.564 0.000) 1.564 4.183 ( 0.000 1.449 0.000) 1.449 4.222 ( 0.000 -0.700 0.000) 0.700 4.256 ( 0.000 -1.430 0.000) 1.430 4.275 ( 0.000 -0.574 0.000) 0.574 4.338 ( 0.000 -0.176 0.000) 0.176 4.433 ( 0.000 2.465 0.000) 2.465 4.454 ( 0.000 -2.591 0.000) 2.591 4.487 ( 0.000 -0.203 0.000) 0.203 4.513 ( 0.000 -3.426 0.000) 3.426 4.559 ( 0.000 0.269 0.000) 0.269 4.577 ( 0.000 -4.306 0.000) 4.306 4.699 ( 0.000 -4.098 0.000) 4.098 4.834 ( 0.000 -8.016 0.000) 8.016 5.073 ( 0.000 2.652 0.000) 2.652 5.214 ( 0.000 -0.429 0.000) 0.429 7.142 ( 0.000 0.623 0.000) 0.623 7.153 ( 0.000 0.300 0.000) 0.300 8.832 ( 0.000 4.076 0.000) 4.076 8.921 ( 0.000 1.215 0.000) 1.215 9.527 ( 0.000 2.867 0.000) 2.867 9.692 ( 0.000 -2.782 0.000) 2.782 9.864 ( 0.000 1.710 0.000) 1.710 9.904 ( 0.000 0.776 0.000) 0.776 9.975 ( 0.000 4.197 0.000) 4.197 10.063 ( 0.000 2.791 0.000) 2.791 10.097 ( 0.000 1.040 0.000) 1.040 10.205 ( 0.000 -2.701 0.000) 2.701 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 8.772 6.917 -0.583) 11.186 0.547 ( 2.005 12.514 -0.850) 12.702 0.741 ( 2.939 3.207 -4.484) 6.247 0.770 ( -2.371 -0.273 1.350) 2.742 0.816 ( 2.661 -0.496 0.106) 2.709 0.825 ( 0.217 1.277 0.092) 1.299 0.898 ( -0.951 0.306 -0.759) 1.255 0.947 ( 2.746 2.832 2.832) 4.856 0.988 ( 0.665 0.505 -2.247) 2.397 1.046 ( 4.166 2.620 5.072) 7.067 1.089 ( 2.951 0.825 6.328) 7.031 1.115 ( 5.779 2.153 0.296) 6.174 1.307 ( 1.414 -4.761 2.786) 5.695 1.322 ( -2.422 -4.666 -0.650) 5.297 1.405 ( 0.563 -3.838 -0.973) 3.999 1.564 ( -3.997 1.833 -6.121) 7.537 1.617 ( -0.881 -0.528 -0.191) 1.044 1.692 ( 0.344 0.873 1.175) 1.504 1.750 ( -0.173 -1.614 -0.588) 1.727 1.781 ( -0.815 -2.072 -0.578) 2.301 1.923 ( 2.047 -0.721 -1.684) 2.747 1.952 ( -0.141 -1.606 0.116) 1.616 2.066 ( -0.843 -0.451 0.571) 1.114 2.111 ( -0.604 2.298 -1.892) 3.037 2.144 ( 2.336 -1.210 -0.350) 2.654 2.171 ( 0.946 0.355 1.688) 1.967 2.191 ( -0.518 0.249 -1.300) 1.421 2.248 ( 0.015 -1.058 -0.160) 1.070 2.350 ( -1.623 -0.657 -0.356) 1.787 2.380 ( 0.086 -2.994 -0.256) 3.006 2.446 ( 0.767 -1.146 0.551) 1.485 2.478 ( -1.606 1.219 1.490) 2.507 2.530 ( -1.738 -0.924 -3.383) 3.914 2.625 ( -0.846 3.710 -1.010) 3.937 2.664 ( 2.539 0.491 1.250) 2.872 2.764 ( 3.280 0.836 -2.115) 3.991 3.056 ( -1.784 2.713 1.471) 3.565 3.093 ( 1.021 1.791 0.286) 2.082 3.139 ( 1.519 2.044 1.625) 3.021 3.154 ( -1.597 1.286 -0.506) 2.112 3.244 ( -1.742 1.092 -1.389) 2.481 3.282 ( -1.278 -1.012 0.037) 1.631 3.305 ( 0.399 1.258 3.013) 3.289 3.343 ( -1.905 1.243 0.037) 2.275 3.359 ( 0.082 3.310 0.439) 3.340 3.435 ( 1.333 0.925 -0.108) 1.626 3.484 ( 0.348 0.155 2.631) 2.658 3.600 ( 2.129 -1.030 -0.881) 2.524 3.606 ( -5.272 0.541 -4.226) 6.778 3.667 ( -0.089 -0.164 -1.533) 1.544 3.758 ( 0.451 1.212 0.989) 1.628 3.795 ( 1.114 1.391 -0.933) 2.011 3.844 ( 1.122 -0.853 2.446) 2.823 3.848 ( 1.165 0.391 -0.982) 1.573 3.954 ( -0.579 1.143 -0.507) 1.378 4.065 ( -1.185 -1.756 3.423) 4.025 4.151 ( -1.448 2.709 -0.877) 3.194 4.174 ( 1.094 0.872 -0.350) 1.442 4.222 ( -0.627 -0.034 0.326) 0.707 4.223 ( -1.070 0.209 1.215) 1.632 4.320 ( 0.048 0.459 0.958) 1.063 4.359 ( 1.331 -0.452 0.240) 1.426 4.415 ( 0.293 -1.977 -2.252) 3.011 4.468 ( 0.631 -1.665 1.280) 2.193 4.478 ( -0.014 -0.985 -0.488) 1.099 4.543 ( 1.836 -3.948 -0.085) 4.355 4.549 ( -1.474 -3.066 0.679) 3.469 4.608 ( 1.722 -0.401 1.157) 2.113 4.708 ( -0.114 -3.945 2.229) 4.533 4.791 ( -3.541 -4.717 -2.013) 6.233 5.035 ( -2.608 0.533 -0.079) 2.663 5.170 ( -3.953 -1.584 -1.494) 4.513 7.141 ( -0.103 0.638 0.110) 0.655 7.155 ( 0.067 0.346 0.161) 0.388 8.757 ( -6.459 6.098 -2.006) 9.106 8.821 ( -7.304 3.130 -0.830) 7.990 9.582 ( 1.959 -0.000 3.693) 4.181 9.689 ( 0.128 -2.478 -0.359) 2.507 9.872 ( 1.901 1.877 -0.570) 2.731 9.967 ( 1.808 2.121 -1.301) 3.076 9.987 ( 3.846 0.603 1.737) 4.263 10.082 ( 1.787 2.830 0.623) 3.405 10.136 ( 3.240 1.075 0.107) 3.416 10.213 ( 1.625 -2.963 -1.035) 3.534 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 8.460 3.548 -0.755) 9.205 0.612 ( 4.573 7.453 2.166) 9.009 0.742 ( -0.471 2.269 0.140) 2.322 0.798 ( 0.820 5.415 -0.524) 5.502 0.811 ( 2.999 6.439 0.642) 7.132 0.871 ( 0.533 -1.229 -0.216) 1.357 0.890 ( 1.958 -0.968 -0.124) 2.188 0.972 ( 0.148 0.095 0.130) 0.219 1.020 ( 3.676 0.877 -2.465) 4.512 1.123 ( 1.075 -0.642 0.498) 1.348 1.186 ( 1.803 -3.468 1.748) 4.282 1.193 ( -0.522 -5.870 0.489) 5.914 1.295 ( -0.098 5.892 -1.175) 6.009 1.398 ( 1.126 -1.338 -0.846) 1.942 1.422 ( 2.860 1.701 4.770) 5.816 1.453 ( 1.840 3.698 -0.149) 4.133 1.612 ( 0.312 -0.201 0.483) 0.609 1.694 ( -0.967 0.080 -1.629) 1.896 1.731 ( 0.230 -2.882 0.553) 2.943 1.810 ( 1.648 0.481 1.996) 2.633 1.935 ( -0.230 0.386 -0.450) 0.636 1.943 ( 0.481 -1.132 -1.398) 1.862 2.063 ( -0.970 1.165 -2.797) 3.181 2.069 ( 1.023 0.186 -0.164) 1.053 2.133 ( -2.202 1.006 -1.946) 3.106 2.185 ( 0.107 -1.210 -1.014) 1.582 2.200 ( -0.601 0.557 1.466) 1.679 2.248 ( -0.803 -0.780 -0.105) 1.124 2.335 ( 0.562 -1.174 1.278) 1.824 2.372 ( -0.242 -2.295 -0.294) 2.326 2.409 ( -0.947 -0.179 -2.660) 2.829 2.490 ( 1.337 -1.877 -0.050) 2.304 2.546 ( 1.767 0.138 3.903) 4.287 2.612 ( 0.937 0.539 -0.502) 1.192 2.715 ( 0.893 -2.280 0.822) 2.583 2.775 ( 0.520 -1.643 -2.077) 2.699 3.037 ( -1.401 2.504 0.497) 2.912 3.109 ( -1.226 1.475 0.802) 2.079 3.132 ( -0.798 0.683 0.137) 1.060 3.163 ( -0.598 0.411 -0.899) 1.155 3.199 ( 0.122 1.075 -0.157) 1.093 3.244 ( -0.359 -0.757 -1.944) 2.117 3.289 ( -2.722 1.661 1.469) 3.511 3.348 ( -1.042 1.365 -0.073) 1.719 3.374 ( 0.216 3.928 2.796) 4.826 3.448 ( -0.846 1.353 0.003) 1.596 3.491 ( -0.432 1.841 -0.254) 1.908 3.500 ( -1.538 -0.399 -0.283) 1.613 3.644 ( 1.519 -1.121 -3.208) 3.722 3.648 ( 0.957 -1.586 0.888) 2.054 3.785 ( 1.035 1.131 1.608) 2.222 3.794 ( 0.690 4.015 -2.221) 4.640 3.858 ( 0.437 0.234 0.397) 0.635 3.890 ( 1.485 0.276 0.110) 1.515 3.940 ( -0.771 -0.429 1.093) 1.405 4.059 ( -1.787 -2.761 1.586) 3.651 4.138 ( -0.091 3.165 0.518) 3.209 4.199 ( 1.334 -0.091 -0.049) 1.338 4.221 ( -1.136 0.839 3.060) 3.370 4.230 ( 0.144 0.882 1.221) 1.513 4.298 ( -1.172 0.951 -1.154) 1.900 4.353 ( -0.776 -0.317 -2.435) 2.575 4.401 ( 0.263 0.494 -2.500) 2.562 4.476 ( -0.084 -4.767 -0.138) 4.769 4.498 ( 0.654 -3.533 1.716) 3.982 4.514 ( -2.250 -1.727 -0.225) 2.845 4.562 ( 0.627 -4.757 -0.702) 4.849 4.627 ( 0.231 0.333 -0.562) 0.693 4.695 ( -1.234 -4.742 -2.995) 5.743 4.754 ( -0.561 -3.143 4.401) 5.437 4.996 ( -2.589 -0.410 -0.080) 2.622 5.068 ( -4.671 -3.658 -0.692) 5.973 7.142 ( 0.086 0.610 0.069) 0.620 7.156 ( -0.123 0.389 0.049) 0.411 8.624 ( -5.973 6.642 -0.294) 8.937 8.684 ( -6.606 3.695 -1.018) 7.637 9.641 ( 1.454 -1.720 1.936) 2.970 9.691 ( 0.629 -2.733 -0.700) 2.890 9.911 ( 2.384 2.284 0.067) 3.303 9.960 ( 0.112 4.217 -1.367) 4.435 10.096 ( 4.602 -1.764 2.078) 5.348 10.125 ( 1.812 1.804 0.902) 2.711 10.183 ( 2.166 1.603 -0.887) 2.837 10.243 ( 2.322 -3.160 -0.693) 3.982 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 1.519 2.580 -0.086) 2.995 0.730 ( 3.097 3.649 2.743) 5.517 0.759 ( 1.886 1.452 0.304) 2.400 0.794 ( 1.256 2.274 1.417) 2.959 0.859 ( -0.343 1.552 -1.446) 2.149 0.900 ( 2.588 2.538 0.409) 3.648 0.935 ( 0.795 5.296 0.867) 5.425 0.970 ( 0.156 1.132 -1.993) 2.297 0.983 ( -2.273 -0.424 0.852) 2.464 1.096 ( -1.689 7.399 -8.057) 11.069 1.152 ( 0.099 -5.146 -0.064) 5.147 1.235 ( 0.253 -0.751 3.448) 3.538 1.323 ( 3.529 -0.807 -0.248) 3.628 1.396 ( 0.640 0.800 -0.221) 1.048 1.479 ( -1.264 0.242 2.741) 3.028 1.529 ( 3.240 -3.978 -0.649) 5.171 1.628 ( -1.700 1.779 0.261) 2.474 1.682 ( 0.401 0.441 0.732) 0.944 1.762 ( 1.582 0.734 3.143) 3.594 1.841 ( 0.816 1.404 -0.605) 1.733 1.927 ( 0.165 1.351 -0.481) 1.444 1.949 ( 1.204 -0.476 -0.853) 1.550 2.037 ( -0.049 0.950 -0.875) 1.292 2.072 ( -1.529 3.590 0.222) 3.908 2.089 ( 0.081 1.744 -1.188) 2.112 2.136 ( -2.986 -0.075 0.199) 2.994 2.196 ( 0.267 -0.255 -0.698) 0.790 2.227 ( -0.665 1.917 -0.470) 2.083 2.346 ( -0.259 1.331 -0.213) 1.372 2.382 ( 0.640 -2.752 0.405) 2.854 2.406 ( 0.954 -2.012 0.182) 2.235 2.541 ( 2.964 -3.485 1.034) 4.690 2.576 ( -0.286 -1.153 0.168) 1.199 2.665 ( 3.138 -3.630 0.670) 4.845 2.703 ( -2.057 -4.378 0.570) 4.871 2.752 ( -1.342 -3.769 -0.555) 4.039 3.018 ( -0.851 1.986 -0.216) 2.172 3.057 ( -1.697 0.894 -0.945) 2.139 3.120 ( -0.694 -0.567 0.081) 0.900 3.173 ( 0.722 -0.574 1.031) 1.383 3.206 ( 0.910 1.467 -0.922) 1.957 3.247 ( 0.403 0.156 0.090) 0.441 3.275 ( -1.590 0.765 -0.362) 1.801 3.297 ( -0.257 1.000 0.350) 1.090 3.382 ( -1.180 3.986 -1.806) 4.532 3.441 ( -0.327 3.531 4.240) 5.528 3.477 ( 0.038 2.908 -2.159) 3.622 3.525 ( 0.418 -1.647 2.223) 2.798 3.618 ( 0.431 0.431 -3.359) 3.414 3.669 ( -0.153 -1.375 0.698) 1.550 3.794 ( 0.948 3.359 -0.530) 3.530 3.806 ( 0.010 2.651 0.167) 2.656 3.874 ( 0.068 0.554 1.906) 1.986 3.896 ( 0.775 -0.680 -2.105) 2.344 3.942 ( -0.782 -0.913 1.058) 1.601 4.047 ( -0.576 -3.348 0.414) 3.422 4.143 ( 0.028 2.754 0.231) 2.764 4.216 ( 0.286 -0.110 0.307) 0.434 4.233 ( -0.316 0.641 1.451) 1.618 4.242 ( 0.336 1.863 0.338) 1.923 4.264 ( -1.696 1.967 -0.532) 2.652 4.329 ( 0.617 -1.593 -0.283) 1.732 4.388 ( 0.549 -0.082 -1.611) 1.703 4.449 ( -0.502 -2.649 -2.005) 3.360 4.491 ( -0.788 -2.093 0.857) 2.395 4.513 ( -0.598 -5.239 0.365) 5.286 4.558 ( -0.008 -4.633 -0.185) 4.636 4.628 ( 0.551 -1.757 -0.574) 1.929 4.669 ( -0.092 -4.288 -0.650) 4.338 4.783 ( -0.288 -4.998 2.185) 5.463 4.927 ( -2.274 0.668 -1.720) 2.929 5.026 ( -1.178 -3.035 1.038) 3.417 7.145 ( 0.160 0.512 0.006) 0.537 7.153 ( -0.167 0.373 -0.033) 0.410 8.550 ( -2.164 5.768 0.183) 6.164 8.587 ( -2.840 4.328 -0.474) 5.199 9.675 ( 0.923 -2.667 0.547) 2.874 9.693 ( 0.062 -3.266 -0.412) 3.293 9.943 ( 0.768 3.566 -0.271) 3.658 9.953 ( 0.343 4.456 -0.196) 4.473 10.151 ( 0.692 1.369 0.273) 1.558 10.176 ( 1.672 -2.911 1.393) 3.635 10.201 ( 0.891 2.249 -0.862) 2.568 10.269 ( 0.889 -2.956 -0.140) 3.090 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 0.000 9.052 0.000) 9.052 0.667 ( 0.000 -7.426 0.000) 7.426 0.734 ( 0.000 6.722 0.000) 6.722 0.777 ( 0.000 0.181 0.000) 0.181 0.823 ( 0.000 -0.091 0.000) 0.091 0.829 ( 0.000 -0.933 0.000) 0.933 0.894 ( 0.000 6.243 0.000) 6.243 0.980 ( 0.000 2.167 0.000) 2.167 0.993 ( 0.000 -1.721 0.000) 1.721 1.011 ( 0.000 0.515 0.000) 0.515 1.021 ( 0.000 -0.829 0.000) 0.829 1.070 ( 0.000 -6.607 0.000) 6.607 1.277 ( 0.000 -0.440 0.000) 0.440 1.314 ( 0.000 -2.490 0.000) 2.490 1.324 ( 0.000 10.410 0.000) 10.410 1.528 ( 0.000 -8.377 0.000) 8.377 1.636 ( 0.000 -0.074 0.000) 0.074 1.654 ( 0.000 -1.780 0.000) 1.780 1.764 ( 0.000 -0.596 0.000) 0.596 1.777 ( 0.000 -1.010 0.000) 1.010 1.900 ( 0.000 1.268 0.000) 1.268 1.930 ( 0.000 -1.121 0.000) 1.121 2.079 ( 0.000 1.840 0.000) 1.840 2.111 ( 0.000 -0.707 0.000) 0.707 2.169 ( 0.000 0.252 0.000) 0.252 2.175 ( 0.000 0.086 0.000) 0.086 2.207 ( 0.000 1.501 0.000) 1.501 2.236 ( 0.000 -0.926 0.000) 0.926 2.327 ( 0.000 -0.719 0.000) 0.719 2.346 ( 0.000 -1.801 0.000) 1.801 2.448 ( 0.000 3.203 0.000) 3.203 2.509 ( 0.000 -3.125 0.000) 3.125 2.576 ( 0.000 3.435 0.000) 3.435 2.623 ( 0.000 -1.260 0.000) 1.260 2.727 ( 0.000 2.777 0.000) 2.777 2.754 ( 0.000 -0.045 0.000) 0.045 3.083 ( 0.000 0.430 0.000) 0.430 3.092 ( 0.000 -0.176 0.000) 0.176 3.192 ( 0.000 3.938 0.000) 3.938 3.212 ( 0.000 2.302 0.000) 2.302 3.255 ( 0.000 -2.610 0.000) 2.610 3.264 ( 0.000 -2.852 0.000) 2.852 3.306 ( 0.000 2.469 0.000) 2.469 3.341 ( 0.000 -1.343 0.000) 1.343 3.380 ( 0.000 1.902 0.000) 1.902 3.413 ( 0.000 -1.832 0.000) 1.832 3.536 ( 0.000 5.456 0.000) 5.456 3.605 ( 0.000 -0.686 0.000) 0.686 3.689 ( 0.000 -0.478 0.000) 0.478 3.693 ( 0.000 -2.386 0.000) 2.386 3.723 ( 0.000 1.826 0.000) 1.826 3.758 ( 0.000 -1.529 0.000) 1.529 3.839 ( 0.000 1.371 0.000) 1.371 3.850 ( 0.000 0.395 0.000) 0.395 4.001 ( 0.000 1.920 0.000) 1.920 4.034 ( 0.000 -1.531 0.000) 1.531 4.193 ( 0.000 2.325 0.000) 2.325 4.217 ( 0.000 0.287 0.000) 0.287 4.233 ( 0.000 -0.992 0.000) 0.992 4.248 ( 0.000 -2.520 0.000) 2.520 4.252 ( 0.000 4.574 0.000) 4.574 4.327 ( 0.000 -2.142 0.000) 2.142 4.411 ( 0.000 -0.852 0.000) 0.852 4.444 ( 0.000 -3.437 0.000) 3.437 4.462 ( 0.000 0.350 0.000) 0.350 4.465 ( 0.000 -0.991 0.000) 0.991 4.551 ( 0.000 1.185 0.000) 1.185 4.573 ( 0.000 0.441 0.000) 0.441 4.635 ( 0.000 -1.029 0.000) 1.029 4.699 ( 0.000 -6.182 0.000) 6.182 5.131 ( 0.000 3.299 0.000) 3.299 5.186 ( 0.000 -2.444 0.000) 2.444 7.152 ( 0.000 0.399 0.000) 0.399 7.156 ( 0.000 0.014 0.000) 0.014 8.898 ( 0.000 2.807 0.000) 2.807 8.930 ( 0.000 -0.525 0.000) 0.525 9.583 ( 0.000 3.018 0.000) 3.018 9.638 ( 0.000 -2.908 0.000) 2.908 9.895 ( 0.000 1.389 0.000) 1.389 9.910 ( 0.000 -0.216 0.000) 0.216 10.059 ( 0.000 4.527 0.000) 4.527 10.103 ( 0.000 1.507 0.000) 1.507 10.109 ( 0.000 -0.055 0.000) 0.055 10.144 ( 0.000 -3.632 0.000) 3.632 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 5.100 7.590 0.145) 9.145 0.694 ( 1.893 -5.142 1.465) 5.672 0.747 ( 1.137 4.488 -0.368) 4.645 0.783 ( 2.175 0.119 -0.080) 2.179 0.839 ( 3.024 3.651 0.578) 4.776 0.858 ( 1.831 4.109 -2.684) 5.238 0.934 ( 1.216 0.796 1.636) 2.189 0.969 ( 0.302 1.379 0.397) 1.466 0.981 ( -0.275 -1.397 -0.624) 1.555 1.041 ( 2.815 0.148 0.444) 2.854 1.058 ( 0.430 -2.042 3.497) 4.072 1.084 ( 2.597 -7.197 -3.669) 8.485 1.288 ( 2.100 0.841 2.441) 3.328 1.327 ( 1.547 -2.372 1.271) 3.104 1.398 ( 4.203 8.713 3.235) 10.200 1.534 ( 0.067 -4.716 -1.427) 4.928 1.619 ( -1.120 1.027 -0.044) 1.520 1.657 ( -0.021 -2.877 -0.036) 2.877 1.748 ( -0.795 -0.012 -0.789) 1.120 1.761 ( 0.056 -0.690 0.455) 0.828 1.915 ( 1.638 0.588 -0.664) 1.863 1.934 ( 0.509 -0.879 -0.544) 1.152 2.072 ( -0.609 1.705 -0.992) 2.065 2.115 ( -0.256 -1.745 -1.342) 2.216 2.145 ( -0.352 0.627 -1.535) 1.695 2.157 ( 0.161 -0.769 -1.186) 1.423 2.217 ( -0.082 1.258 0.605) 1.399 2.235 ( 0.039 -0.653 -0.035) 0.655 2.328 ( -0.356 -0.782 -0.281) 0.904 2.340 ( -0.561 -1.321 -0.265) 1.460 2.444 ( 0.025 1.045 0.245) 1.074 2.470 ( -2.150 -1.461 -1.780) 3.150 2.573 ( -0.418 3.961 0.428) 4.006 2.634 ( 1.164 -2.151 -0.164) 2.451 2.710 ( -1.845 3.401 0.113) 3.871 2.758 ( 0.175 -1.570 -1.141) 1.949 3.092 ( -1.045 0.934 2.521) 2.885 3.101 ( 0.390 -0.290 1.124) 1.224 3.181 ( -1.224 2.736 -0.087) 2.998 3.196 ( -0.197 2.741 -0.767) 2.853 3.233 ( -2.316 -2.228 -0.677) 3.284 3.247 ( -1.185 -2.481 -0.819) 2.869 3.332 ( 1.207 1.582 2.058) 2.863 3.351 ( -0.251 -0.212 1.307) 1.348 3.409 ( 1.297 1.823 1.628) 2.767 3.435 ( 0.358 -1.087 2.190) 2.471 3.512 ( -1.620 3.137 -0.051) 3.531 3.572 ( -2.781 -2.603 -2.417) 4.511 3.620 ( -0.949 1.414 -2.936) 3.394 3.651 ( -0.464 -1.551 -2.781) 3.218 3.791 ( 2.386 2.030 1.342) 3.408 3.815 ( 2.722 0.183 0.622) 2.799 3.840 ( 0.700 0.487 0.708) 1.109 3.852 ( 1.377 -0.235 -0.809) 1.614 3.983 ( -1.642 1.829 -0.212) 2.467 4.023 ( -1.973 -2.404 1.574) 3.486 4.196 ( 0.295 2.082 0.117) 2.106 4.207 ( -0.644 1.590 -0.466) 1.778 4.220 ( -0.835 0.232 1.734) 1.939 4.234 ( -0.769 0.488 1.644) 1.879 4.313 ( 1.882 -0.711 1.573) 2.554 4.337 ( 0.153 -2.568 -0.221) 2.582 4.393 ( 0.341 1.229 -2.076) 2.436 4.440 ( 0.911 -2.635 -2.578) 3.797 4.460 ( -0.054 -1.840 0.727) 1.979 4.468 ( -0.151 -0.723 -0.628) 0.970 4.534 ( -0.939 1.309 -0.290) 1.637 4.585 ( 0.286 -2.973 0.060) 2.988 4.659 ( 0.152 0.254 3.825) 3.837 4.705 ( -1.500 -4.006 2.945) 5.193 5.072 ( -4.089 2.950 -2.392) 5.581 5.128 ( -4.389 -2.828 -2.634) 5.848 7.153 ( -0.062 0.506 0.173) 0.538 7.158 ( 0.033 -0.067 0.199) 0.213 8.838 ( -5.546 2.724 -1.017) 6.262 8.858 ( -6.147 0.582 -1.009) 6.256 9.602 ( 0.898 1.800 1.208) 2.346 9.642 ( 0.196 -2.451 0.207) 2.468 9.915 ( 2.113 2.432 0.504) 3.261 9.954 ( 3.446 -1.666 1.145) 3.995 10.053 ( 0.179 4.230 -0.693) 4.290 10.112 ( 0.696 -0.732 0.126) 1.018 10.149 ( 3.427 0.294 -0.061) 3.440 10.162 ( 2.320 -1.665 -0.714) 2.944 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 4.752 4.615 0.476) 6.641 0.739 ( 1.201 -2.634 1.264) 3.159 0.766 ( 1.824 7.386 -1.161) 7.696 0.840 ( 2.683 -0.656 -0.191) 2.769 0.862 ( 1.973 0.679 -2.472) 3.235 0.912 ( 2.742 4.750 -0.499) 5.507 0.936 ( 0.346 -2.207 -3.593) 4.231 0.958 ( 2.979 2.726 1.962) 4.489 1.031 ( 0.134 -0.434 -1.141) 1.228 1.074 ( 1.972 -1.148 1.970) 3.015 1.111 ( 3.265 -2.806 3.356) 5.459 1.129 ( 3.190 -2.853 2.316) 4.866 1.371 ( 4.027 1.176 -0.682) 4.250 1.376 ( 2.853 -0.466 -0.727) 2.981 1.450 ( -3.187 2.163 -2.060) 4.368 1.488 ( -0.841 -0.840 -1.199) 1.688 1.634 ( 1.663 1.956 2.458) 3.554 1.670 ( 0.348 -2.079 1.609) 2.652 1.751 ( 1.209 4.063 2.052) 4.710 1.810 ( 2.188 -1.194 3.267) 4.109 1.931 ( 0.676 -0.076 -0.274) 0.733 1.936 ( 1.293 -0.243 -1.698) 2.148 2.055 ( 0.879 -0.478 -1.612) 1.897 2.068 ( -0.737 -0.861 -2.791) 3.012 2.141 ( -0.321 0.209 -1.731) 1.773 2.153 ( 1.089 -1.383 -1.109) 2.080 2.218 ( -0.596 1.186 0.756) 1.527 2.238 ( 0.705 -0.571 -0.390) 0.987 2.321 ( 0.208 -0.410 0.514) 0.690 2.331 ( -0.118 -1.455 0.415) 1.517 2.424 ( -0.884 1.578 -0.854) 2.000 2.458 ( -0.072 -1.807 1.538) 2.374 2.576 ( -0.039 3.215 0.898) 3.339 2.640 ( -0.507 -1.172 -0.901) 1.563 2.670 ( -2.925 0.676 1.033) 3.175 2.728 ( -1.967 -3.246 -1.180) 3.975 3.087 ( -1.519 2.355 1.344) 3.108 3.113 ( -1.127 -0.690 1.220) 1.798 3.140 ( -2.414 0.654 -1.279) 2.809 3.162 ( -2.280 -0.994 -2.106) 3.259 3.212 ( 0.840 0.703 0.424) 1.175 3.229 ( 0.438 -0.785 -0.031) 0.900 3.329 ( -2.218 2.184 -0.644) 3.179 3.356 ( -1.140 -0.522 -0.884) 1.534 3.437 ( 0.042 2.347 3.635) 4.327 3.455 ( -0.046 -0.212 2.590) 2.599 3.496 ( -2.010 0.262 -0.396) 2.065 3.511 ( -0.535 -0.358 1.657) 1.778 3.618 ( 1.965 -0.220 -1.868) 2.720 3.632 ( 1.417 -1.082 -3.439) 3.874 3.813 ( 1.216 1.621 -0.578) 2.107 3.836 ( 1.088 -0.464 -1.218) 1.698 3.874 ( 1.800 2.313 -0.159) 2.935 3.901 ( 2.018 -0.093 0.491) 2.079 3.953 ( -1.725 1.889 1.096) 2.783 4.002 ( -1.820 -3.116 1.271) 3.826 4.204 ( -0.322 2.127 1.460) 2.600 4.209 ( 0.682 2.649 0.654) 2.812 4.226 ( -1.185 -0.481 3.252) 3.495 4.250 ( 0.669 0.688 1.563) 1.834 4.300 ( -1.080 -0.232 -2.337) 2.585 4.344 ( 0.587 -4.013 -0.848) 4.143 4.383 ( -0.210 1.905 -2.590) 3.222 4.429 ( -0.967 -0.304 -0.763) 1.269 4.449 ( 0.307 -2.495 -2.265) 3.384 4.461 ( -1.076 -3.090 0.815) 3.372 4.521 ( -0.206 1.338 0.159) 1.363 4.584 ( -0.082 -4.652 -0.128) 4.654 4.667 ( -2.562 1.429 0.377) 2.958 4.702 ( -2.008 -2.337 3.585) 4.727 4.990 ( -2.652 0.281 -0.589) 2.731 5.014 ( -4.296 -2.189 -2.091) 5.255 7.153 ( -0.013 0.518 0.078) 0.524 7.159 ( -0.097 -0.071 0.074) 0.141 8.716 ( -6.120 2.958 -0.608) 6.825 8.732 ( -6.233 1.087 -0.691) 6.365 9.626 ( 0.677 0.177 0.630) 0.942 9.646 ( 0.149 -1.902 -0.046) 1.908 9.971 ( 2.888 3.718 0.994) 4.812 10.030 ( 3.037 -0.308 0.102) 3.054 10.060 ( 1.424 1.582 0.340) 2.155 10.125 ( 0.909 -2.666 -0.481) 2.858 10.203 ( 2.364 0.444 -0.234) 2.416 10.207 ( 2.806 -0.236 -0.192) 2.822 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 1.515 3.059 0.350) 3.432 0.764 ( 0.291 -1.034 0.914) 1.410 0.794 ( 2.150 3.705 -0.093) 4.284 0.841 ( -0.289 2.154 -0.761) 2.303 0.864 ( -1.210 -2.215 -3.744) 4.515 0.879 ( -0.215 -3.121 -0.860) 3.244 0.965 ( 2.721 3.517 -0.248) 4.453 1.024 ( 2.018 -0.986 -0.018) 2.247 1.081 ( 1.545 4.554 -0.259) 4.816 1.121 ( 1.232 5.960 7.290) 9.497 1.174 ( 2.651 -1.776 -0.986) 3.340 1.228 ( 0.268 -1.089 2.731) 2.952 1.317 ( 0.042 2.752 -4.544) 5.313 1.413 ( -2.122 -3.668 -2.053) 4.709 1.426 ( 1.949 -0.258 -2.591) 3.253 1.468 ( 2.382 -2.565 0.918) 3.619 1.653 ( -1.823 0.873 1.593) 2.573 1.669 ( -1.795 -1.119 1.343) 2.506 1.814 ( 1.517 4.088 2.168) 4.870 1.869 ( 1.111 -0.219 1.476) 1.860 1.944 ( 0.961 0.034 -1.172) 1.516 1.946 ( 0.965 0.523 0.045) 1.099 2.046 ( 0.007 0.218 -0.998) 1.021 2.061 ( 0.540 -1.764 -0.796) 2.009 2.131 ( 0.992 2.616 -0.558) 2.853 2.163 ( 0.423 -0.257 -0.260) 0.559 2.207 ( -0.565 2.082 0.054) 2.158 2.240 ( -0.121 -0.794 -0.602) 1.003 2.341 ( 0.594 -0.658 0.736) 1.152 2.344 ( 0.475 -1.067 0.559) 1.295 2.425 ( 0.910 2.626 0.434) 2.813 2.480 ( 1.064 -3.126 1.261) 3.535 2.575 ( -1.294 1.052 -0.311) 1.696 2.613 ( -0.853 -2.365 -0.289) 2.530 2.630 ( -1.437 -1.181 0.532) 1.935 2.678 ( -2.231 -3.987 -0.491) 4.595 3.066 ( -1.589 2.448 -0.417) 2.948 3.078 ( -0.807 1.764 0.018) 1.940 3.097 ( -0.995 -1.376 -1.051) 1.997 3.135 ( -0.276 -3.051 -0.029) 3.063 3.234 ( 0.905 1.622 0.542) 1.934 3.258 ( 1.161 -0.268 1.392) 1.832 3.285 ( -1.168 0.878 -0.850) 1.691 3.302 ( -1.681 -0.418 -2.063) 2.694 3.458 ( -1.029 3.504 0.159) 3.655 3.487 ( 0.331 1.774 4.054) 4.438 3.497 ( 0.142 -1.062 1.967) 2.239 3.515 ( 0.093 0.026 -0.866) 0.872 3.617 ( 0.335 -0.316 -2.077) 2.127 3.630 ( 0.856 -1.842 -1.281) 2.402 3.831 ( 0.823 1.171 -0.123) 1.437 3.850 ( 1.065 -0.800 -0.212) 1.348 3.891 ( 0.946 3.106 -0.652) 3.312 3.909 ( -0.557 1.498 -0.223) 1.614 3.946 ( -0.555 0.747 0.579) 1.096 3.986 ( -0.856 -3.173 0.397) 3.310 4.208 ( -0.431 3.697 0.893) 3.828 4.231 ( 0.252 1.523 0.868) 1.771 4.243 ( -0.165 0.419 2.037) 2.086 4.268 ( -0.079 0.058 -1.477) 1.480 4.285 ( 1.055 0.221 1.687) 2.002 4.328 ( -1.539 1.156 -3.024) 3.585 4.355 ( 1.518 -3.637 0.704) 4.003 4.402 ( -0.883 0.877 -0.256) 1.271 4.416 ( -1.477 -4.894 -2.824) 5.840 4.443 ( -0.880 -2.786 0.149) 2.926 4.526 ( 0.050 1.089 0.456) 1.181 4.584 ( 0.061 -4.429 -0.010) 4.429 4.630 ( -0.910 1.793 -0.320) 2.036 4.689 ( -1.423 -4.468 0.917) 4.778 4.942 ( -1.264 1.177 -0.541) 1.810 4.975 ( -0.718 -2.372 0.667) 2.567 7.154 ( 0.040 0.364 -0.016) 0.367 7.157 ( -0.113 0.038 -0.032) 0.124 8.633 ( -2.429 2.685 -0.092) 3.622 8.644 ( -2.629 1.436 -0.228) 3.004 9.639 ( 0.429 -0.863 0.134) 0.973 9.646 ( -0.099 -1.563 -0.086) 1.569 10.020 ( 1.349 4.594 0.495) 4.813 10.048 ( 0.527 5.065 -0.560) 5.123 10.106 ( 1.433 -4.207 0.761) 4.509 10.133 ( 0.408 -3.385 -0.311) 3.424 10.231 ( 0.904 0.910 -0.083) 1.285 10.239 ( 0.928 -0.302 -0.040) 0.976 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 6.030 0.000 12.783) 14.133 0.248 ( -2.708 0.000 13.822) 14.085 0.468 ( 0.005 0.000 24.630) 24.630 0.673 ( -5.444 0.000 -10.056) 11.435 0.691 ( 0.703 0.000 -7.946) 7.977 0.785 ( 0.672 0.000 -1.513) 1.656 0.877 ( -0.137 0.000 2.195) 2.199 0.903 ( -0.226 0.000 -4.064) 4.070 0.939 ( 0.529 0.000 1.864) 1.938 1.054 ( -0.737 0.000 3.262) 3.344 1.100 ( -1.400 0.000 3.085) 3.388 1.216 ( 0.261 0.000 5.198) 5.204 1.261 ( 0.800 0.000 -13.706) 13.729 1.486 ( 2.282 0.000 -7.959) 8.280 1.566 ( 0.230 0.000 1.130) 1.153 1.613 ( -1.096 0.000 -0.620) 1.260 1.640 ( -1.312 0.000 0.091) 1.315 1.640 ( -1.507 0.000 1.238) 1.950 1.698 ( 4.913 0.000 5.108) 7.088 1.873 ( -4.144 0.000 -0.897) 4.240 1.955 ( 2.075 0.000 2.031) 2.904 1.958 ( 1.299 0.000 -0.207) 1.315 2.004 ( 0.509 0.000 -1.432) 1.520 2.081 ( -1.248 0.000 -1.907) 2.279 2.146 ( 0.282 0.000 3.696) 3.707 2.209 ( -0.025 0.000 0.432) 0.433 2.261 ( -5.949 0.000 -0.871) 6.012 2.294 ( 3.687 0.000 -2.169) 4.278 2.346 ( 0.023 0.000 0.220) 0.221 2.393 ( -2.477 0.000 -0.604) 2.549 2.435 ( 2.000 0.000 0.775) 2.145 2.478 ( -1.861 0.000 -1.058) 2.140 2.556 ( 2.014 0.000 1.029) 2.262 2.565 ( 1.592 0.000 -0.275) 1.616 2.608 ( -0.881 0.000 -0.454) 0.991 2.630 ( -4.542 0.000 -3.976) 6.036 2.983 ( 0.116 0.000 -0.116) 0.164 2.983 ( 0.148 0.000 -0.279) 0.316 3.149 ( -0.621 0.000 -0.383) 0.729 3.162 ( -2.135 0.000 -2.208) 3.072 3.211 ( 3.077 0.000 1.126) 3.277 3.233 ( 1.052 0.000 4.665) 4.783 3.274 ( -4.135 0.000 -0.068) 4.136 3.301 ( 1.963 0.000 0.874) 2.149 3.355 ( -0.376 0.000 1.101) 1.164 3.397 ( -4.217 0.000 -0.624) 4.263 3.478 ( -0.764 0.000 -0.392) 0.859 3.507 ( -0.200 0.000 -0.984) 1.004 3.650 ( -0.366 0.000 2.651) 2.676 3.685 ( 2.675 0.000 2.752) 3.837 3.751 ( -2.303 0.000 -0.868) 2.461 3.808 ( 2.242 0.000 0.102) 2.244 3.813 ( -0.155 0.000 -2.798) 2.802 3.935 ( 4.060 0.000 -3.436) 5.319 3.948 ( -1.302 0.000 3.203) 3.458 3.994 ( 1.277 0.000 0.200) 1.292 4.078 ( 0.084 0.000 1.581) 1.583 4.167 ( -2.488 0.000 -2.174) 3.304 4.254 ( -3.052 0.000 -0.438) 3.083 4.285 ( -4.945 0.000 -2.110) 5.377 4.346 ( 5.534 0.000 -0.831) 5.596 4.352 ( -2.584 0.000 -1.007) 2.773 4.383 ( 2.365 0.000 -0.452) 2.408 4.439 ( 3.060 0.000 -2.033) 3.674 4.548 ( -2.050 0.000 2.270) 3.058 4.567 ( 1.559 0.000 1.684) 2.295 4.626 ( -0.247 0.000 2.688) 2.699 4.692 ( -0.658 0.000 -0.220) 0.694 4.822 ( 1.100 0.000 0.394) 1.168 4.870 ( -1.484 0.000 -1.421) 2.054 5.135 ( -2.653 0.000 3.412) 4.322 5.258 ( 9.662 0.000 -2.111) 9.890 7.129 ( -0.115 0.000 0.256) 0.281 7.142 ( 0.165 0.000 -0.296) 0.339 8.517 ( -0.698 0.000 5.052) 5.100 8.756 ( 3.923 0.000 -5.518) 6.770 9.651 ( 16.618 0.000 0.936) 16.644 9.716 ( -2.257 0.000 -1.698) 2.824 9.851 ( 0.521 0.000 3.035) 3.080 9.947 ( 0.612 0.000 3.160) 3.219 9.952 ( 0.551 0.000 -1.761) 1.845 10.055 ( -0.017 0.000 -1.637) 1.637 10.113 ( -19.912 0.000 1.818) 19.995 10.227 ( 1.787 0.000 -3.092) 3.571 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 4.600 0.000 9.074) 10.174 0.491 ( 8.427 0.000 11.420) 14.193 0.503 ( 0.201 0.000 -9.463) 9.465 0.623 ( 3.185 0.000 -9.897) 10.397 0.794 ( -0.788 0.000 1.099) 1.352 0.795 ( 1.149 0.000 5.795) 5.908 0.863 ( 6.961 0.000 6.411) 9.463 0.889 ( 0.681 0.000 0.878) 1.111 0.964 ( -0.801 0.000 -1.135) 1.389 1.100 ( 1.310 0.000 5.814) 5.960 1.118 ( 1.620 0.000 0.139) 1.626 1.152 ( 3.163 0.000 -11.464) 11.893 1.284 ( 0.907 0.000 5.559) 5.632 1.420 ( 0.435 0.000 -9.386) 9.396 1.525 ( -5.050 0.000 -0.326) 5.060 1.579 ( -0.741 0.000 0.898) 1.164 1.593 ( -4.609 0.000 0.453) 4.631 1.677 ( 3.237 0.000 0.392) 3.260 1.783 ( -2.557 0.000 -1.880) 3.174 1.812 ( 0.659 0.000 5.736) 5.774 1.949 ( -1.190 0.000 -3.274) 3.484 1.984 ( 1.196 0.000 -0.713) 1.392 2.015 ( -2.258 0.000 -2.944) 3.711 2.031 ( 0.220 0.000 2.441) 2.450 2.172 ( -3.020 0.000 -1.303) 3.289 2.175 ( -0.482 0.000 1.420) 1.500 2.231 ( -1.165 0.000 -1.197) 1.670 2.291 ( -4.114 0.000 -0.877) 4.206 2.392 ( 2.220 0.000 -1.500) 2.679 2.404 ( 4.891 0.000 1.153) 5.025 2.478 ( 0.369 0.000 -3.574) 3.593 2.490 ( 2.464 0.000 2.565) 3.557 2.496 ( 1.169 0.000 2.904) 3.130 2.608 ( 1.885 0.000 -1.651) 2.506 2.629 ( 4.680 0.000 0.971) 4.780 2.664 ( 5.692 0.000 0.609) 5.725 2.995 ( 1.217 0.000 -0.327) 1.260 2.997 ( 1.499 0.000 -0.077) 1.501 3.122 ( -1.271 0.000 0.219) 1.289 3.142 ( -0.236 0.000 0.675) 0.715 3.187 ( -3.188 0.000 -1.842) 3.682 3.268 ( 0.171 0.000 2.175) 2.181 3.279 ( -3.761 0.000 1.178) 3.941 3.297 ( 1.561 0.000 1.179) 1.956 3.346 ( -1.545 0.000 2.210) 2.697 3.383 ( 0.637 0.000 -0.886) 1.091 3.466 ( -1.633 0.000 -0.288) 1.658 3.483 ( -0.246 0.000 0.089) 0.262 3.657 ( -0.847 0.000 0.083) 0.851 3.693 ( -1.963 0.000 -1.944) 2.763 3.759 ( 0.512 0.000 2.942) 2.987 3.794 ( -0.179 0.000 -1.060) 1.075 3.845 ( -3.221 0.000 -2.892) 4.328 3.849 ( 2.205 0.000 -0.740) 2.326 3.988 ( 2.157 0.000 3.537) 4.143 4.085 ( 5.475 0.000 -1.228) 5.611 4.122 ( 1.366 0.000 4.717) 4.910 4.141 ( 2.394 0.000 -4.123) 4.768 4.191 ( -3.867 0.000 0.619) 3.916 4.241 ( -1.405 0.000 2.912) 3.234 4.286 ( -1.807 0.000 -3.126) 3.611 4.353 ( -2.532 0.000 -2.615) 3.640 4.374 ( -1.080 0.000 0.219) 1.102 4.471 ( 2.070 0.000 -2.767) 3.456 4.576 ( 2.700 0.000 0.991) 2.876 4.614 ( 0.436 0.000 1.455) 1.519 4.653 ( 0.380 0.000 2.284) 2.316 4.685 ( 0.876 0.000 -0.967) 1.305 4.820 ( -1.885 0.000 -1.334) 2.309 4.842 ( -0.044 0.000 1.131) 1.132 5.076 ( -6.262 0.000 1.672) 6.481 5.264 ( -2.235 0.000 -3.025) 3.761 7.130 ( -0.067 0.000 0.224) 0.234 7.141 ( 0.064 0.000 -0.290) 0.297 8.523 ( -4.430 0.000 5.247) 6.867 8.663 ( -4.831 0.000 -6.327) 7.960 9.672 ( 1.329 0.000 -4.462) 4.656 9.799 ( -5.043 0.000 4.782) 6.949 9.843 ( 5.681 0.000 -3.459) 6.652 9.915 ( -1.526 0.000 -2.367) 2.816 10.007 ( 2.297 0.000 3.342) 4.056 10.043 ( 1.130 0.000 -2.867) 3.082 10.077 ( 3.914 0.000 6.136) 7.278 10.275 ( 4.295 0.000 0.188) 4.299 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 7.505 0.000 -8.165) 11.090 0.605 ( 6.829 0.000 7.159) 9.894 0.628 ( 5.680 0.000 -6.388) 8.549 0.742 ( 6.274 0.000 6.313) 8.901 0.758 ( -1.726 0.000 -0.555) 1.813 0.772 ( 1.137 0.000 2.155) 2.437 0.885 ( -3.331 0.000 -4.572) 5.656 0.912 ( -0.192 0.000 0.492) 0.528 0.998 ( -3.295 0.000 5.350) 6.283 1.135 ( 4.966 0.000 -6.589) 8.250 1.185 ( 3.108 0.000 0.627) 3.171 1.270 ( 4.295 0.000 7.439) 8.590 1.315 ( -0.498 0.000 -9.280) 9.293 1.349 ( 3.070 0.000 2.300) 3.836 1.472 ( -0.833 0.000 1.816) 1.998 1.506 ( -1.808 0.000 -2.658) 3.215 1.567 ( -3.357 0.000 3.219) 4.651 1.728 ( 1.981 0.000 -1.687) 2.602 1.751 ( 0.349 0.000 -1.639) 1.676 1.858 ( -0.870 0.000 5.001) 5.077 1.897 ( -1.006 0.000 -1.326) 1.665 1.939 ( -1.554 0.000 -2.692) 3.108 1.977 ( -0.789 0.000 -1.507) 1.701 2.042 ( -1.244 0.000 2.415) 2.716 2.118 ( -2.570 0.000 1.525) 2.988 2.152 ( -3.631 0.000 -0.314) 3.644 2.184 ( -4.235 0.000 -1.425) 4.468 2.194 ( -0.528 0.000 -2.586) 2.639 2.359 ( -1.861 0.000 -0.814) 2.032 2.481 ( 1.191 0.000 1.260) 1.734 2.483 ( 1.154 0.000 1.946) 2.263 2.562 ( 2.517 0.000 1.814) 3.103 2.635 ( 2.747 0.000 -1.430) 3.097 2.645 ( 7.439 0.000 1.816) 7.658 2.745 ( 5.024 0.000 3.039) 5.872 2.760 ( 4.046 0.000 0.215) 4.052 3.011 ( 1.101 0.000 -0.967) 1.465 3.023 ( 0.668 0.000 -0.214) 0.701 3.122 ( 0.522 0.000 2.943) 2.989 3.129 ( -1.255 0.000 -2.254) 2.580 3.152 ( 0.259 0.000 1.382) 1.406 3.230 ( -2.261 0.000 -2.855) 3.641 3.232 ( -1.796 0.000 -0.555) 1.879 3.304 ( -1.466 0.000 -0.495) 1.547 3.351 ( -1.544 0.000 -3.054) 3.422 3.367 ( 0.227 0.000 4.325) 4.331 3.422 ( -2.224 0.000 0.053) 2.225 3.533 ( 2.677 0.000 2.826) 3.893 3.623 ( -1.640 0.000 -1.216) 2.042 3.642 ( -1.707 0.000 -1.578) 2.325 3.771 ( -0.736 0.000 0.745) 1.047 3.775 ( -0.085 0.000 1.040) 1.043 3.820 ( 0.520 0.000 -0.545) 0.754 3.869 ( 1.987 0.000 -2.619) 3.287 4.053 ( 0.674 0.000 2.522) 2.610 4.140 ( 2.577 0.000 -5.911) 6.448 4.147 ( 3.315 0.000 -2.513) 4.159 4.148 ( -3.018 0.000 3.616) 4.710 4.178 ( -1.326 0.000 0.051) 1.327 4.222 ( -1.179 0.000 -1.070) 1.592 4.268 ( -0.241 0.000 1.736) 1.752 4.313 ( 1.614 0.000 2.330) 2.834 4.387 ( 1.382 0.000 3.042) 3.341 4.440 ( -2.323 0.000 -2.859) 3.684 4.607 ( -2.340 0.000 1.579) 2.823 4.616 ( 2.955 0.000 -2.388) 3.799 4.671 ( -0.561 0.000 1.136) 1.267 4.711 ( 2.159 0.000 -0.390) 2.194 4.791 ( 0.049 0.000 -0.799) 0.800 4.832 ( -1.525 0.000 -0.227) 1.542 4.986 ( -4.864 0.000 1.868) 5.211 5.170 ( -4.154 0.000 -3.134) 5.204 7.132 ( 0.076 0.000 0.174) 0.190 7.139 ( 0.105 0.000 -0.228) 0.251 8.476 ( -5.455 0.000 3.716) 6.600 8.515 ( -4.688 0.000 -4.443) 6.459 9.684 ( 4.796 0.000 -4.358) 6.480 9.770 ( -3.104 0.000 4.336) 5.332 9.874 ( -0.841 0.000 -0.962) 1.278 9.907 ( 4.396 0.000 -2.500) 5.057 10.046 ( 2.214 0.000 -2.353) 3.230 10.073 ( 1.528 0.000 2.060) 2.565 10.199 ( 3.471 0.000 3.647) 5.035 10.339 ( 1.608 0.000 0.804) 1.797 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 7.405 0.000 -3.288) 8.102 0.632 ( -1.213 0.000 -1.286) 1.767 0.705 ( 0.178 0.000 -1.846) 1.855 0.777 ( 2.256 0.000 4.519) 5.051 0.806 ( 6.672 0.000 -1.691) 6.883 0.846 ( 1.856 0.000 2.839) 3.392 0.874 ( -2.751 0.000 -1.409) 3.091 0.948 ( -6.932 0.000 4.844) 8.457 0.972 ( 3.726 0.000 6.491) 7.484 1.055 ( -1.928 0.000 -3.067) 3.622 1.214 ( 1.108 0.000 -7.145) 7.231 1.292 ( -2.782 0.000 0.047) 2.782 1.337 ( 7.223 0.000 -4.935) 8.748 1.392 ( 1.177 0.000 -1.369) 1.805 1.428 ( -3.181 0.000 -1.633) 3.575 1.481 ( -1.041 0.000 -6.095) 6.183 1.578 ( -0.558 0.000 6.384) 6.408 1.735 ( 0.840 0.000 -0.503) 0.979 1.752 ( 1.404 0.000 -1.047) 1.751 1.874 ( -0.951 0.000 -2.005) 2.220 1.910 ( 1.032 0.000 3.388) 3.541 1.918 ( -0.220 0.000 6.308) 6.312 1.971 ( -0.843 0.000 1.985) 2.156 2.040 ( -2.820 0.000 1.105) 3.029 2.060 ( -1.695 0.000 0.433) 1.749 2.104 ( -0.945 0.000 0.834) 1.261 2.155 ( 0.470 0.000 -0.644) 0.797 2.175 ( 2.040 0.000 -3.136) 3.741 2.341 ( -0.389 0.000 1.413) 1.466 2.481 ( -1.984 0.000 0.296) 2.006 2.503 ( 0.028 0.000 0.586) 0.587 2.598 ( 0.194 0.000 -1.275) 1.290 2.653 ( -0.322 0.000 0.551) 0.638 2.751 ( 3.738 0.000 -1.100) 3.896 2.800 ( -0.344 0.000 0.840) 0.908 2.832 ( 1.975 0.000 0.836) 2.145 3.014 ( -0.319 0.000 -0.822) 0.882 3.018 ( 1.292 0.000 -1.409) 1.912 3.099 ( 0.038 0.000 -0.723) 0.724 3.159 ( -0.701 0.000 -1.442) 1.604 3.161 ( -2.007 0.000 -2.082) 2.891 3.187 ( 1.886 0.000 1.417) 2.360 3.210 ( 0.696 0.000 2.179) 2.288 3.281 ( -0.141 0.000 -1.511) 1.518 3.334 ( 1.210 0.000 1.230) 1.726 3.382 ( -2.507 0.000 2.106) 3.274 3.405 ( -0.276 0.000 1.523) 1.548 3.587 ( -1.461 0.000 -2.201) 2.641 3.603 ( 1.315 0.000 1.559) 2.040 3.611 ( 0.205 0.000 2.695) 2.703 3.777 ( -0.318 0.000 0.205) 0.379 3.786 ( -0.113 0.000 0.804) 0.812 3.820 ( 0.372 0.000 -0.739) 0.827 3.874 ( 1.838 0.000 -2.848) 3.390 4.035 ( -3.076 0.000 -0.750) 3.166 4.104 ( 0.630 0.000 -6.234) 6.266 4.129 ( -1.804 0.000 -0.169) 1.812 4.164 ( 0.892 0.000 1.084) 1.404 4.169 ( 3.241 0.000 -3.800) 4.994 4.203 ( -0.681 0.000 0.326) 0.755 4.280 ( 0.627 0.000 -0.160) 0.647 4.354 ( -3.058 0.000 -2.444) 3.915 4.405 ( 2.105 0.000 5.529) 5.916 4.473 ( 2.025 0.000 6.405) 6.717 4.575 ( -2.937 0.000 1.720) 3.403 4.652 ( 3.199 0.000 -1.663) 3.605 4.660 ( -1.382 0.000 0.501) 1.470 4.735 ( 0.888 0.000 -0.637) 1.093 4.798 ( 0.944 0.000 -0.403) 1.027 4.805 ( -0.539 0.000 -0.531) 0.757 4.935 ( -3.401 0.000 2.390) 4.157 5.081 ( -1.347 0.000 -3.243) 3.512 7.135 ( 0.029 0.000 0.110) 0.114 7.140 ( 0.131 0.000 -0.164) 0.210 8.416 ( -3.915 0.000 1.786) 4.303 8.434 ( -0.268 0.000 -1.940) 1.958 9.741 ( 5.116 0.000 -2.628) 5.751 9.753 ( -2.686 0.000 1.662) 3.158 9.865 ( -0.843 0.000 1.664) 1.865 9.947 ( 2.255 0.000 -1.715) 2.833 10.071 ( 2.090 0.000 -0.697) 2.203 10.096 ( -0.437 0.000 0.708) 0.832 10.262 ( 0.361 0.000 1.880) 1.914 10.350 ( 0.004 0.000 -0.919) 0.919 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -1.832 0.000 -3.971) 4.373 0.592 ( 0.454 0.000 -0.679) 0.817 0.708 ( -6.898 0.000 -3.630) 7.794 0.731 ( -0.913 0.000 1.651) 1.886 0.834 ( -1.019 0.000 6.829) 6.905 0.889 ( -0.207 0.000 1.181) 1.199 0.923 ( -2.913 0.000 -1.964) 3.513 0.942 ( 1.745 0.000 5.517) 5.786 0.981 ( 4.551 0.000 4.235) 6.217 1.114 ( 0.555 0.000 -3.147) 3.195 1.167 ( -1.410 0.000 -0.740) 1.593 1.201 ( -5.327 0.000 -3.734) 6.505 1.292 ( 4.376 0.000 -3.396) 5.539 1.307 ( -7.969 0.000 -8.598) 11.723 1.412 ( 2.150 0.000 -0.257) 2.165 1.485 ( 4.386 0.000 -0.877) 4.473 1.643 ( 0.013 0.000 5.711) 5.711 1.720 ( -0.912 0.000 -1.410) 1.679 1.769 ( 0.030 0.000 1.363) 1.363 1.824 ( -2.352 0.000 -3.514) 4.228 1.975 ( 1.553 0.000 3.088) 3.456 1.983 ( 2.011 0.000 4.538) 4.964 2.008 ( 2.240 0.000 1.443) 2.664 2.014 ( 0.124 0.000 1.913) 1.917 2.079 ( -1.942 0.000 -0.549) 2.018 2.086 ( 2.471 0.000 0.287) 2.488 2.169 ( 1.302 0.000 -0.668) 1.464 2.192 ( 2.412 0.000 -2.482) 3.461 2.381 ( 1.981 0.000 3.912) 4.385 2.436 ( -1.570 0.000 -2.578) 3.018 2.497 ( -1.442 0.000 1.167) 1.855 2.546 ( -1.899 0.000 -2.364) 3.032 2.650 ( -1.974 0.000 2.487) 3.175 2.747 ( -2.733 0.000 -1.811) 3.279 2.781 ( -1.799 0.000 0.259) 1.817 2.846 ( -0.697 0.000 0.569) 0.900 2.993 ( -0.538 0.000 -1.837) 1.915 3.026 ( 0.469 0.000 -0.709) 0.850 3.116 ( 0.685 0.000 1.620) 1.759 3.124 ( -0.154 0.000 -1.181) 1.191 3.152 ( 1.432 0.000 0.115) 1.437 3.223 ( -1.696 0.000 1.877) 2.529 3.224 ( 0.817 0.000 -2.750) 2.869 3.268 ( 1.427 0.000 -0.896) 1.685 3.342 ( -3.059 0.000 1.921) 3.612 3.394 ( 2.500 0.000 2.749) 3.716 3.441 ( 1.476 0.000 2.675) 3.055 3.506 ( -2.906 0.000 -3.916) 4.876 3.657 ( 1.902 0.000 2.108) 2.840 3.666 ( 0.616 0.000 2.246) 2.329 3.749 ( -1.004 0.000 -0.585) 1.162 3.772 ( -1.350 0.000 -1.085) 1.732 3.838 ( 1.326 0.000 1.771) 2.212 3.874 ( 1.009 0.000 -2.939) 3.107 3.976 ( -1.762 0.000 -0.904) 1.980 4.054 ( 0.922 0.000 -6.279) 6.346 4.099 ( -1.556 0.000 0.379) 1.601 4.177 ( -0.748 0.000 0.205) 0.775 4.189 ( 1.697 0.000 -2.073) 2.679 4.203 ( 0.840 0.000 -0.678) 1.079 4.289 ( 0.739 0.000 0.755) 1.057 4.309 ( 0.098 0.000 -0.583) 0.592 4.486 ( 1.553 0.000 3.777) 4.084 4.533 ( -2.570 0.000 0.420) 2.604 4.559 ( -1.128 0.000 6.534) 6.631 4.644 ( -0.183 0.000 0.107) 0.212 4.675 ( -0.441 0.000 -0.643) 0.780 4.724 ( 0.031 0.000 -2.150) 2.151 4.799 ( 0.233 0.000 -0.956) 0.984 4.803 ( 0.052 0.000 -0.229) 0.235 4.931 ( 0.613 0.000 3.180) 3.238 5.075 ( 4.103 0.000 -3.682) 5.512 7.134 ( -0.189 0.000 0.076) 0.204 7.140 ( 0.086 0.000 -0.132) 0.157 8.383 ( -0.696 0.000 0.332) 0.771 8.469 ( 5.213 0.000 -0.489) 5.236 9.700 ( -3.763 0.000 -0.666) 3.822 9.801 ( 3.055 0.000 -0.773) 3.151 9.867 ( -1.221 0.000 2.459) 2.745 9.948 ( -0.165 0.000 -2.100) 2.107 10.071 ( -2.424 0.000 -0.638) 2.507 10.099 ( 0.836 0.000 0.526) 0.988 10.261 ( -2.292 0.000 2.701) 3.542 10.331 ( -0.510 0.000 -1.558) 1.640 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -9.851 0.000 -6.432) 11.765 0.494 ( -11.943 0.000 -0.324) 11.947 0.667 ( 2.455 0.000 1.131) 2.703 0.700 ( -2.390 0.000 2.269) 3.296 0.845 ( -2.808 0.000 -3.697) 4.643 0.870 ( -7.992 0.000 4.362) 9.104 0.919 ( -2.843 0.000 2.220) 3.607 0.945 ( -2.628 0.000 -4.632) 5.326 0.967 ( -0.846 0.000 2.420) 2.564 1.071 ( -1.522 0.000 1.805) 2.361 1.094 ( -3.837 0.000 3.304) 5.063 1.142 ( -1.226 0.000 -6.082) 6.204 1.239 ( 7.628 0.000 2.395) 7.995 1.409 ( 7.594 0.000 -1.764) 7.796 1.460 ( 3.161 0.000 0.603) 3.218 1.531 ( 2.321 0.000 -1.387) 2.704 1.664 ( -2.005 0.000 2.873) 3.504 1.691 ( -2.804 0.000 -0.958) 2.963 1.727 ( -1.381 0.000 -4.328) 4.543 1.800 ( 0.881 0.000 3.430) 3.541 1.994 ( -0.828 0.000 -0.668) 1.064 2.006 ( -0.730 0.000 -2.819) 2.912 2.051 ( -0.345 0.000 1.879) 1.911 2.061 ( 0.865 0.000 3.316) 3.427 2.110 ( 0.305 0.000 -3.546) 3.559 2.120 ( 6.675 0.000 1.965) 6.958 2.193 ( 3.790 0.000 -1.621) 4.122 2.212 ( 2.752 0.000 -1.934) 3.364 2.386 ( -0.458 0.000 -2.720) 2.758 2.468 ( 0.345 0.000 2.632) 2.654 2.497 ( 0.314 0.000 4.748) 4.758 2.516 ( -0.367 0.000 -0.339) 0.500 2.628 ( -3.291 0.000 2.736) 4.280 2.655 ( -5.349 0.000 0.373) 5.362 2.728 ( -4.225 0.000 0.288) 4.235 2.824 ( -2.160 0.000 0.077) 2.162 2.973 ( -0.057 0.000 -0.246) 0.252 3.019 ( -0.885 0.000 0.206) 0.909 3.121 ( 0.550 0.000 -0.617) 0.826 3.122 ( -1.272 0.000 0.609) 1.411 3.183 ( 0.135 0.000 -3.751) 3.754 3.207 ( 1.644 0.000 4.006) 4.330 3.219 ( 1.102 0.000 -0.293) 1.140 3.277 ( -0.824 0.000 -2.372) 2.511 3.329 ( -0.114 0.000 0.692) 0.701 3.442 ( 0.171 0.000 0.491) 0.520 3.449 ( 0.839 0.000 -1.312) 1.557 3.512 ( 1.641 0.000 6.407) 6.613 3.638 ( -1.209 0.000 -2.206) 2.516 3.681 ( -0.504 0.000 -2.327) 2.381 3.748 ( -0.047 0.000 2.078) 2.078 3.759 ( 0.579 0.000 0.241) 0.627 3.844 ( -0.019 0.000 -4.336) 4.336 3.894 ( 1.740 0.000 1.181) 2.103 3.955 ( -1.806 0.000 2.164) 2.818 4.011 ( 0.292 0.000 -3.696) 3.708 4.088 ( -0.501 0.000 0.956) 1.079 4.158 ( -0.489 0.000 0.342) 0.597 4.175 ( -0.688 0.000 -1.279) 1.452 4.216 ( 1.844 0.000 -1.232) 2.217 4.336 ( 2.972 0.000 -0.405) 3.000 4.347 ( 3.429 0.000 2.274) 4.115 4.486 ( -3.956 0.000 3.041) 4.989 4.531 ( 0.189 0.000 0.873) 0.894 4.559 ( -0.928 0.000 -2.390) 2.563 4.606 ( -4.211 0.000 -2.348) 4.821 4.652 ( -1.350 0.000 2.560) 2.894 4.716 ( -0.124 0.000 -0.186) 0.223 4.795 ( 0.818 0.000 -1.475) 1.686 4.807 ( 0.698 0.000 0.055) 0.700 5.011 ( 3.388 0.000 3.907) 5.171 5.116 ( 4.686 0.000 -5.696) 7.376 7.131 ( -0.238 0.000 0.128) 0.270 7.140 ( 0.127 0.000 -0.182) 0.222 8.401 ( 2.066 0.000 0.635) 2.161 8.584 ( 7.652 0.000 -1.572) 7.811 9.610 ( -4.465 0.000 -2.306) 5.026 9.812 ( -2.630 0.000 2.257) 3.466 9.887 ( 2.583 0.000 -0.825) 2.712 9.898 ( -2.414 0.000 -2.728) 3.643 10.004 ( -3.792 0.000 -0.712) 3.859 10.106 ( -0.695 0.000 0.491) 0.851 10.264 ( -1.730 0.000 6.242) 6.478 10.301 ( -1.221 0.000 -1.565) 1.985 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.177 ( -10.070 0.000 -0.135) 10.071 0.249 ( -13.355 0.000 3.200) 13.733 0.514 ( -20.773 0.000 12.434) 24.210 0.735 ( 1.461 0.000 -1.918) 2.411 0.781 ( 0.747 0.000 -0.894) 1.165 0.843 ( -0.714 0.000 -0.624) 0.948 0.865 ( -1.384 0.000 -2.663) 3.001 0.873 ( -0.339 0.000 -3.609) 3.625 0.953 ( -0.639 0.000 2.234) 2.323 1.077 ( -1.510 0.000 -2.351) 2.794 1.089 ( -1.580 0.000 4.163) 4.452 1.154 ( 1.247 0.000 5.918) 6.048 1.336 ( 2.521 0.000 -3.941) 4.679 1.487 ( 4.697 0.000 -4.937) 6.814 1.544 ( 5.386 0.000 1.026) 5.483 1.550 ( 1.462 0.000 -0.882) 1.708 1.623 ( -1.831 0.000 0.543) 1.910 1.658 ( -1.041 0.000 1.251) 1.628 1.697 ( -1.171 0.000 -1.257) 1.718 1.858 ( 1.561 0.000 3.675) 3.993 1.953 ( -1.493 0.000 -1.290) 1.973 1.963 ( -0.307 0.000 -2.688) 2.706 2.044 ( -1.307 0.000 -4.805) 4.980 2.074 ( 1.013 0.000 0.784) 1.281 2.106 ( -0.060 0.000 3.955) 3.956 2.197 ( 1.054 0.000 -0.192) 1.072 2.253 ( 4.399 0.000 -2.746) 5.186 2.293 ( 6.149 0.000 -0.351) 6.159 2.373 ( 0.902 0.000 -0.861) 1.247 2.460 ( -3.552 0.000 1.278) 3.775 2.485 ( -2.611 0.000 1.631) 3.079 2.501 ( -1.692 0.000 -1.659) 2.369 2.589 ( -2.882 0.000 0.203) 2.889 2.596 ( -2.999 0.000 -2.774) 4.085 2.692 ( -1.445 0.000 3.416) 3.709 2.730 ( -5.933 0.000 -8.092) 10.034 2.988 ( 0.145 0.000 0.590) 0.608 2.999 ( -1.493 0.000 0.106) 1.497 3.143 ( 1.245 0.000 0.990) 1.590 3.145 ( 2.576 0.000 6.457) 6.952 3.174 ( 1.113 0.000 0.715) 1.323 3.208 ( -1.521 0.000 -3.308) 3.641 3.225 ( 0.533 0.000 -0.700) 0.880 3.292 ( 2.606 0.000 2.761) 3.796 3.341 ( 0.568 0.000 0.434) 0.715 3.422 ( -0.983 0.000 -0.640) 1.173 3.488 ( 2.734 0.000 -0.184) 2.740 3.592 ( 0.215 0.000 -2.608) 2.616 3.635 ( 1.565 0.000 3.514) 3.846 3.649 ( 0.137 0.000 -0.895) 0.905 3.764 ( 0.763 0.000 3.286) 3.373 3.774 ( -0.218 0.000 1.948) 1.960 3.801 ( -0.303 0.000 -3.047) 3.062 3.865 ( -0.670 0.000 -6.469) 6.503 3.947 ( -2.150 0.000 3.392) 4.016 4.012 ( -0.940 0.000 2.687) 2.846 4.080 ( -1.277 0.000 0.853) 1.535 4.176 ( 1.405 0.000 1.039) 1.748 4.210 ( 5.547 0.000 1.057) 5.646 4.250 ( 2.989 0.000 1.090) 3.181 4.390 ( -1.724 0.000 0.982) 1.984 4.392 ( 3.709 0.000 -0.972) 3.835 4.441 ( -5.409 0.000 -5.405) 7.647 4.465 ( -3.558 0.000 -8.145) 8.889 4.511 ( 2.595 0.000 2.795) 3.814 4.566 ( -2.001 0.000 2.569) 3.257 4.638 ( -2.648 0.000 1.626) 3.108 4.707 ( -0.927 0.000 0.275) 0.967 4.802 ( 1.350 0.000 -0.908) 1.627 4.834 ( 1.902 0.000 2.757) 3.350 5.102 ( 1.783 0.000 3.986) 4.367 5.107 ( 1.235 0.000 -4.251) 4.427 7.129 ( -0.154 0.000 0.209) 0.260 7.141 ( 0.199 0.000 -0.272) 0.337 8.460 ( 2.207 0.000 2.722) 3.504 8.674 ( 4.825 0.000 -2.684) 5.521 9.507 ( -4.267 0.000 0.528) 4.300 9.772 ( -3.561 0.000 1.275) 3.782 9.837 ( -1.750 0.000 0.030) 1.751 9.928 ( 3.252 0.000 -1.775) 3.705 9.944 ( -2.524 0.000 1.034) 2.727 10.084 ( -1.537 0.000 -0.568) 1.638 10.258 ( -1.170 0.000 -2.454) 2.719 10.321 ( 0.536 0.000 3.055) 3.101 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( -3.018 9.781 5.965) 11.847 0.337 ( -4.354 5.779 12.098) 14.097 0.620 ( -0.581 4.815 -2.662) 5.533 0.661 ( 3.285 8.782 4.994) 10.623 0.740 ( 1.283 3.535 -5.508) 6.670 0.804 ( 0.636 1.486 1.530) 2.225 0.852 ( -2.174 -0.260 -1.463) 2.634 0.902 ( 0.326 -0.614 -1.017) 1.232 0.928 ( 1.096 -1.015 1.783) 2.326 1.042 ( -1.199 -0.753 3.987) 4.231 1.095 ( -0.569 -0.785 2.517) 2.697 1.162 ( 1.350 -4.276 4.237) 6.169 1.322 ( 1.196 2.884 -8.261) 8.831 1.472 ( -0.371 -4.032 -3.688) 5.476 1.478 ( -0.311 -2.332 -4.159) 4.778 1.529 ( -1.427 -5.759 -1.001) 6.017 1.629 ( 0.726 -1.355 3.075) 3.438 1.699 ( 0.327 2.032 0.933) 2.259 1.722 ( 2.005 2.044 -0.040) 2.863 1.845 ( -2.134 -3.072 -1.893) 4.192 1.927 ( -0.040 -1.981 -0.021) 1.982 1.988 ( -0.777 -0.088 -0.627) 1.002 2.030 ( 1.235 3.344 0.201) 3.571 2.090 ( 0.412 1.068 -1.102) 1.590 2.140 ( 2.024 -1.736 2.341) 3.548 2.173 ( -0.960 -1.495 1.634) 2.414 2.230 ( -3.796 -2.213 -0.599) 4.434 2.272 ( 0.525 -1.563 -2.106) 2.675 2.380 ( 0.845 -0.061 -0.661) 1.074 2.387 ( 0.377 -0.263 0.114) 0.473 2.462 ( -0.490 2.510 0.571) 2.621 2.504 ( 0.382 -2.996 -1.801) 3.516 2.528 ( -0.287 3.015 -0.351) 3.049 2.564 ( 0.748 0.135 -0.161) 0.777 2.621 ( 0.468 1.226 -0.888) 1.584 2.656 ( -4.014 2.624 -2.080) 5.227 3.013 ( 0.718 2.912 -0.029) 3.000 3.023 ( -0.578 3.743 -0.247) 3.796 3.136 ( -1.182 -0.559 2.580) 2.892 3.159 ( -0.398 0.670 -0.702) 1.049 3.233 ( 3.022 2.019 1.278) 3.853 3.247 ( -1.337 0.147 0.849) 1.590 3.277 ( 2.014 0.933 0.855) 2.379 3.321 ( -1.553 2.040 -1.473) 2.957 3.375 ( 1.824 1.714 2.075) 3.251 3.400 ( -3.164 0.459 2.027) 3.786 3.489 ( -0.582 1.021 0.539) 1.293 3.579 ( -0.932 2.984 -4.300) 5.317 3.642 ( -0.638 -1.008 0.578) 1.326 3.670 ( 0.974 -0.364 1.808) 2.086 3.757 ( -1.503 0.420 -0.329) 1.595 3.786 ( 0.135 -1.413 0.358) 1.464 3.823 ( 1.055 -0.623 -3.110) 3.342 3.842 ( 0.500 -2.329 -0.667) 2.473 3.974 ( -1.063 -0.203 3.080) 3.264 4.021 ( 5.755 2.292 -0.388) 6.207 4.108 ( 0.377 2.169 0.035) 2.202 4.165 ( -1.960 -0.005 -1.411) 2.414 4.243 ( -0.885 -0.759 -0.508) 1.272 4.276 ( -4.933 -0.966 -1.742) 5.320 4.315 ( 3.665 -0.719 1.655) 4.085 4.367 ( -2.553 0.882 0.374) 2.727 4.418 ( 5.768 0.112 1.892) 6.072 4.442 ( -1.951 0.836 -2.298) 3.128 4.525 ( -0.692 -1.606 2.524) 3.071 4.561 ( 1.792 -1.246 1.096) 2.442 4.605 ( 0.005 -2.043 2.332) 3.100 4.661 ( -1.181 -2.932 -0.014) 3.161 4.763 ( 2.336 -3.290 1.058) 4.172 4.894 ( -4.069 -0.272 -5.732) 7.035 5.093 ( 1.383 -4.050 4.283) 6.054 5.216 ( 2.183 -1.532 -0.361) 2.691 7.134 ( -0.130 0.501 0.289) 0.593 7.146 ( 0.179 0.360 -0.185) 0.443 8.671 ( -1.587 9.626 -3.163) 10.256 8.797 ( 2.925 3.877 -5.587) 7.403 9.606 ( 8.145 -2.971 5.299) 10.161 9.713 ( -0.250 -0.900 -1.989) 2.197 9.846 ( -2.358 0.246 2.374) 3.355 9.919 ( 0.844 0.114 -0.343) 0.918 10.004 ( -5.679 -1.315 3.755) 6.934 10.013 ( -2.589 1.254 3.052) 4.194 10.079 ( -0.101 0.425 0.739) 0.858 10.215 ( 1.057 -1.397 -3.103) 3.563 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 4.340 2.568 6.950) 8.586 0.477 ( 4.561 1.542 9.210) 10.393 0.550 ( 5.085 4.745 -4.559) 8.316 0.682 ( 0.430 5.500 -7.387) 9.219 0.774 ( -0.439 0.699 1.401) 1.626 0.825 ( 2.612 -0.944 -3.571) 4.524 0.895 ( 0.207 0.421 -0.548) 0.721 0.941 ( 2.671 0.867 0.975) 2.972 0.965 ( 1.335 4.951 8.291) 9.749 1.102 ( 3.717 0.905 6.117) 7.215 1.123 ( 1.688 0.387 2.372) 2.937 1.183 ( 0.858 3.007 -7.678) 8.290 1.291 ( 2.425 0.790 0.490) 2.597 1.382 ( 0.094 -3.191 -8.227) 8.825 1.435 ( -3.712 -5.145 1.357) 6.487 1.507 ( -1.446 -6.222 1.096) 6.481 1.640 ( -2.768 1.955 0.169) 3.393 1.692 ( 1.138 -0.435 1.321) 1.797 1.761 ( -0.668 -0.534 -3.609) 3.709 1.800 ( 1.010 -2.147 1.891) 3.034 1.944 ( -0.863 -0.288 1.340) 1.620 1.962 ( 0.025 -1.723 -0.957) 1.971 2.041 ( -1.357 2.137 -0.850) 2.670 2.058 ( -0.749 1.945 -0.822) 2.240 2.157 ( -1.606 -1.378 -1.369) 2.520 2.196 ( 0.006 -1.484 -0.138) 1.491 2.199 ( -0.424 0.693 1.431) 1.646 2.278 ( 2.090 -2.906 -0.036) 3.579 2.360 ( -1.723 0.786 0.071) 1.896 2.395 ( 0.679 -1.626 -0.479) 1.826 2.453 ( -2.370 -1.766 -1.833) 3.478 2.487 ( 0.688 -0.032 0.542) 0.876 2.547 ( 1.981 3.008 0.147) 3.605 2.577 ( 2.827 -3.234 2.878) 5.170 2.652 ( 4.590 2.188 -2.030) 5.475 2.687 ( 4.941 2.255 0.638) 5.469 3.009 ( -0.167 2.209 -0.359) 2.245 3.044 ( 1.927 3.620 0.295) 4.111 3.129 ( -0.912 0.918 0.772) 1.507 3.155 ( -0.046 0.855 0.108) 0.863 3.197 ( -2.763 1.124 -1.137) 3.192 3.265 ( -2.771 -0.107 -1.027) 2.957 3.307 ( 1.978 2.494 2.709) 4.180 3.319 ( 1.126 1.082 0.031) 1.562 3.349 ( -3.763 1.415 1.141) 4.179 3.416 ( 0.243 2.662 1.157) 2.913 3.481 ( -1.647 1.550 0.659) 2.356 3.508 ( -1.555 2.053 -1.215) 2.848 3.645 ( -1.274 -1.542 -1.699) 2.624 3.705 ( 0.951 -3.974 3.133) 5.149 3.715 ( -1.419 2.192 -2.157) 3.387 3.799 ( -0.116 -0.808 1.595) 1.791 3.823 ( 1.773 -0.913 -1.091) 2.273 3.855 ( 1.667 0.627 -1.610) 2.400 3.980 ( 0.104 -0.503 1.696) 1.772 4.086 ( 2.526 1.101 -1.185) 2.999 4.124 ( 0.943 -1.034 -2.299) 2.691 4.164 ( 2.398 1.287 2.499) 3.695 4.194 ( -2.588 0.401 -0.881) 2.763 4.252 ( -0.189 0.880 3.347) 3.466 4.291 ( -2.597 1.020 -1.686) 3.260 4.372 ( -3.038 0.849 -2.442) 3.989 4.378 ( -0.094 0.691 0.275) 0.750 4.488 ( 1.952 1.146 -1.214) 2.568 4.553 ( 1.279 -2.762 0.982) 3.198 4.598 ( 1.178 -1.128 -0.067) 1.632 4.625 ( -0.902 -3.207 0.880) 3.446 4.637 ( 0.004 -3.470 0.817) 3.565 4.782 ( -2.479 -3.444 -3.378) 5.424 4.825 ( 1.375 -1.772 3.295) 3.986 5.076 ( -5.100 -0.424 1.180) 5.251 5.208 ( -1.731 -4.776 -1.617) 5.331 7.134 ( -0.154 0.418 0.217) 0.495 7.146 ( 0.093 0.518 -0.213) 0.568 8.603 ( -5.476 7.120 2.416) 9.301 8.705 ( -5.060 3.960 -4.719) 7.972 9.666 ( 1.049 -0.891 -3.230) 3.511 9.748 ( -0.640 -5.677 2.500) 6.236 9.828 ( 2.111 1.891 0.404) 2.863 9.913 ( -0.681 0.351 -1.452) 1.642 10.033 ( 2.482 2.029 2.491) 4.060 10.071 ( 4.166 0.652 2.045) 4.686 10.092 ( 1.087 2.406 0.986) 2.818 10.242 ( 4.003 -3.121 -1.210) 5.218 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 7.063 6.262 -2.397) 9.739 0.608 ( 4.031 2.405 3.531) 5.874 0.686 ( 6.006 4.420 -1.661) 7.640 0.716 ( 3.279 -1.182 6.292) 7.194 0.761 ( 2.620 2.245 2.448) 4.231 0.838 ( 0.973 3.510 -3.551) 5.087 0.874 ( -0.274 -0.395 -4.027) 4.055 0.912 ( -1.278 0.199 -0.558) 1.409 1.017 ( -3.627 1.383 4.797) 6.171 1.102 ( 0.524 -2.898 -5.668) 6.387 1.177 ( 2.814 -0.525 -1.114) 3.072 1.237 ( 3.319 -3.882 -6.094) 7.951 1.319 ( -0.939 1.622 4.343) 4.730 1.386 ( -1.902 -2.293 0.108) 2.981 1.417 ( 7.368 2.466 0.878) 7.819 1.533 ( 1.297 -0.731 5.488) 5.687 1.589 ( -2.555 2.957 -1.443) 4.166 1.692 ( 0.138 -3.817 -1.853) 4.245 1.755 ( 1.288 1.167 -1.853) 2.540 1.827 ( 0.062 -2.152 2.110) 3.014 1.918 ( -1.569 1.572 1.308) 2.578 1.957 ( -0.697 -0.393 -0.343) 0.871 2.004 ( -0.497 4.165 -0.538) 4.229 2.041 ( -1.091 -0.642 0.635) 1.416 2.111 ( -2.625 -0.705 0.126) 2.721 2.165 ( -2.126 0.444 -1.413) 2.591 2.189 ( -1.570 1.842 -0.381) 2.450 2.222 ( -3.883 1.960 -1.929) 4.758 2.351 ( -1.540 -0.536 -0.702) 1.775 2.429 ( 1.111 -4.050 1.200) 4.368 2.453 ( 3.091 -3.476 1.994) 5.061 2.535 ( 2.835 -2.664 1.000) 4.016 2.597 ( 2.582 -0.829 -0.288) 2.727 2.673 ( 3.564 -0.997 3.154) 4.862 2.721 ( 4.627 -0.914 -1.424) 4.926 2.776 ( 2.757 0.391 1.678) 3.251 3.001 ( -0.134 0.622 -0.758) 0.990 3.069 ( -0.860 2.634 -0.474) 2.811 3.131 ( -0.096 0.790 1.568) 1.758 3.141 ( -0.407 1.471 -1.230) 1.960 3.162 ( 0.547 0.835 1.440) 1.752 3.227 ( -0.301 0.073 -1.306) 1.343 3.267 ( -2.578 2.610 -3.470) 5.050 3.309 ( -1.712 0.917 0.898) 2.140 3.343 ( -0.908 0.183 -1.236) 1.544 3.409 ( -0.933 3.215 2.126) 3.965 3.454 ( -2.397 3.192 1.824) 4.388 3.539 ( 2.487 0.380 2.755) 3.731 3.597 ( -1.142 -2.282 -2.286) 3.426 3.668 ( -1.378 2.405 -1.577) 3.189 3.754 ( 1.040 -0.974 2.642) 3.001 3.797 ( -1.354 1.141 0.321) 1.799 3.836 ( 0.863 1.320 -0.949) 1.840 3.865 ( 1.873 -0.253 -2.252) 2.940 4.020 ( 0.831 -3.466 1.577) 3.897 4.113 ( 0.077 -0.192 0.624) 0.658 4.121 ( 1.290 -1.708 -1.634) 2.693 4.154 ( 0.329 0.291 -2.715) 2.750 4.194 ( -0.365 0.599 -1.434) 1.597 4.248 ( -1.113 1.513 -2.118) 2.831 4.291 ( -2.138 1.981 3.788) 4.780 4.317 ( 1.911 0.129 1.300) 2.315 4.375 ( 0.101 -0.755 0.624) 0.985 4.468 ( -2.207 2.371 -0.837) 3.346 4.559 ( 0.025 -3.783 0.081) 3.784 4.616 ( 1.381 -1.050 -1.226) 2.124 4.627 ( -0.392 -4.477 1.131) 4.635 4.663 ( 1.492 -4.531 0.828) 4.842 4.731 ( -0.605 -3.322 -1.933) 3.891 4.866 ( -0.169 0.241 2.703) 2.719 4.977 ( -5.257 -0.699 -0.745) 5.355 5.139 ( -3.701 -2.998 -1.583) 5.019 7.135 ( 0.066 0.302 0.120) 0.332 7.145 ( 0.019 0.503 -0.209) 0.545 8.526 ( -5.648 4.949 2.585) 7.942 8.566 ( -5.317 4.805 -3.010) 7.772 9.676 ( 3.963 -1.001 -3.576) 5.431 9.749 ( -1.561 -2.807 2.774) 4.244 9.874 ( 1.435 0.708 -0.966) 1.869 9.895 ( 1.166 0.826 -0.409) 1.486 10.093 ( 2.026 2.537 0.627) 3.307 10.101 ( 2.098 3.388 -1.478) 4.250 10.188 ( 3.137 -1.156 3.641) 4.943 10.299 ( 2.468 -3.795 -0.234) 4.533 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 4.167 6.111 -2.165) 7.707 0.640 ( -0.410 2.206 -1.192) 2.541 0.723 ( 1.316 0.970 -1.815) 2.443 0.808 ( 2.300 2.244 -0.544) 3.259 0.828 ( -1.374 0.911 1.798) 2.439 0.860 ( 0.345 0.905 -0.236) 0.997 0.871 ( 3.155 1.746 0.814) 3.697 0.936 ( -0.829 0.900 2.267) 2.576 0.989 ( 3.352 -0.410 7.333) 8.073 1.030 ( -3.758 -0.408 0.404) 3.801 1.200 ( 1.272 -0.893 -6.706) 6.884 1.252 ( 2.772 -4.941 -2.039) 6.021 1.328 ( -0.662 1.637 -0.166) 1.774 1.383 ( 2.199 -1.923 -0.391) 2.947 1.462 ( -2.329 2.930 -4.661) 5.978 1.525 ( -0.667 3.308 -4.520) 5.641 1.604 ( -0.352 1.745 4.871) 5.186 1.699 ( 1.662 -2.785 0.410) 3.269 1.742 ( 0.506 -0.122 -2.308) 2.366 1.848 ( 0.560 -1.624 -0.235) 1.734 1.927 ( -0.705 1.305 4.253) 4.504 1.965 ( 0.663 2.222 2.637) 3.511 2.010 ( -0.670 3.511 1.650) 3.936 2.043 ( -2.657 0.293 0.742) 2.774 2.045 ( -2.340 -0.108 2.592) 3.494 2.116 ( 0.404 1.140 -2.214) 2.523 2.166 ( 0.756 0.581 -1.487) 1.766 2.184 ( 0.598 1.519 -1.122) 1.981 2.336 ( -0.220 -0.303 1.336) 1.387 2.444 ( -0.672 -3.394 0.284) 3.472 2.480 ( -0.679 -2.483 0.623) 2.649 2.589 ( 0.175 -1.149 -1.059) 1.572 2.624 ( 1.565 -2.905 0.174) 3.304 2.730 ( 1.605 -2.081 -0.884) 2.772 2.774 ( 1.114 -2.913 0.555) 3.168 2.807 ( -0.033 -2.411 0.365) 2.439 2.995 ( 0.319 -0.133 -0.345) 0.489 3.037 ( -0.551 0.589 -0.259) 0.847 3.105 ( -0.003 0.593 -0.920) 1.095 3.176 ( -1.713 1.396 -1.720) 2.800 3.189 ( 1.045 2.009 0.173) 2.271 3.216 ( 0.074 1.439 -1.962) 2.434 3.220 ( 1.979 1.847 2.300) 3.552 3.284 ( -1.190 0.920 -1.151) 1.894 3.335 ( 1.489 0.244 2.048) 2.543 3.397 ( -2.625 1.721 0.486) 3.176 3.444 ( -1.331 3.821 2.377) 4.693 3.564 ( -1.106 -2.093 -1.249) 2.677 3.608 ( 2.099 0.488 3.133) 3.802 3.642 ( -0.186 2.814 0.037) 2.820 3.773 ( -0.755 -0.096 -0.969) 1.232 3.791 ( -0.020 0.572 1.849) 1.936 3.834 ( 0.595 1.083 -1.199) 1.722 3.876 ( 1.649 0.474 -2.073) 2.691 4.004 ( -2.257 -2.965 -0.730) 3.797 4.095 ( -0.036 -1.171 -3.873) 4.046 4.124 ( -1.046 -0.217 0.744) 1.301 4.150 ( 1.989 -0.012 -2.176) 2.948 4.186 ( 1.704 0.569 -1.966) 2.663 4.213 ( -0.040 0.960 -1.604) 1.870 4.283 ( -1.248 0.819 1.611) 2.196 4.356 ( -1.608 -0.221 -2.133) 2.680 4.396 ( 2.236 -1.262 4.033) 4.781 4.480 ( 0.790 0.630 5.844) 5.931 4.550 ( -1.601 -2.426 0.824) 3.022 4.617 ( -1.455 -4.214 0.385) 4.474 4.634 ( 1.701 -2.176 -1.083) 2.967 4.692 ( 0.698 -5.833 -0.240) 5.879 4.722 ( 1.172 -1.794 0.209) 2.153 4.871 ( -2.107 1.642 -2.078) 3.384 4.902 ( -1.198 -2.741 2.794) 4.093 5.065 ( -1.849 -1.553 -2.219) 3.280 7.138 ( 0.107 0.309 0.091) 0.340 7.143 ( 0.033 0.362 -0.157) 0.396 8.462 ( -3.513 4.545 1.476) 5.931 8.482 ( -0.997 4.584 -1.422) 4.902 9.724 ( 3.949 -2.055 -1.866) 4.827 9.740 ( -1.825 -1.819 0.978) 2.756 9.878 ( -0.110 1.940 1.006) 2.188 9.924 ( 1.362 -0.404 -0.368) 1.468 10.118 ( 0.405 2.634 -0.305) 2.682 10.122 ( 1.353 3.115 -0.534) 3.438 10.247 ( 0.286 -1.507 1.876) 2.423 10.320 ( 0.668 -2.910 -0.993) 3.146 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -3.119 2.377 -1.591) 4.232 0.656 ( 1.247 4.485 -2.007) 5.069 0.691 ( -5.656 -0.653 -2.393) 6.176 0.735 ( 0.059 1.252 -0.053) 1.255 0.827 ( -3.008 0.059 4.047) 5.043 0.873 ( 1.489 0.021 0.114) 1.493 0.929 ( 1.665 -0.662 5.184) 5.485 0.942 ( -4.731 1.203 0.145) 4.883 1.066 ( 2.307 5.243 0.389) 5.741 1.129 ( 2.971 1.261 -3.403) 4.690 1.149 ( 0.120 -1.231 5.178) 5.324 1.232 ( -2.176 1.335 -3.623) 4.432 1.276 ( -0.205 -0.407 -0.426) 0.624 1.358 ( -5.814 3.869 -6.337) 9.431 1.404 ( -1.124 1.566 -4.589) 4.977 1.447 ( 4.025 -2.817 -0.479) 4.936 1.645 ( -0.795 -0.565 3.878) 3.998 1.724 ( -0.607 -1.437 -1.602) 2.236 1.751 ( 1.686 -0.721 2.621) 3.199 1.825 ( -1.612 -0.079 -3.232) 3.612 1.955 ( -0.684 -1.108 4.117) 4.319 1.992 ( -0.900 -0.201 1.173) 1.492 2.019 ( 3.307 1.974 1.435) 4.110 2.045 ( 0.142 2.210 3.445) 4.095 2.070 ( 0.499 0.643 1.006) 1.294 2.114 ( 2.318 1.318 -2.818) 3.879 2.181 ( 1.567 1.622 -1.027) 2.478 2.197 ( 1.839 0.514 -1.248) 2.282 2.373 ( 1.734 -0.742 3.366) 3.859 2.411 ( -1.503 -2.450 -1.936) 3.466 2.472 ( -1.381 -2.302 1.691) 3.173 2.535 ( -1.486 -1.195 -3.164) 3.694 2.628 ( -3.308 -2.263 2.230) 4.587 2.722 ( -2.666 -2.535 -0.987) 3.808 2.753 ( -1.152 -2.810 -0.418) 3.065 2.823 ( 0.865 -2.440 0.407) 2.621 2.997 ( -0.168 0.694 -0.145) 0.728 3.045 ( 1.363 1.266 -1.251) 2.242 3.118 ( 0.528 0.324 1.310) 1.449 3.136 ( -0.106 1.141 -1.105) 1.592 3.185 ( 0.792 2.922 -1.137) 3.234 3.219 ( -0.949 0.576 1.248) 1.670 3.254 ( -0.087 1.340 -2.521) 2.856 3.278 ( 2.197 1.287 0.735) 2.650 3.346 ( -3.257 0.776 1.402) 3.630 3.403 ( 2.775 0.944 2.586) 3.908 3.458 ( 0.704 1.657 1.940) 2.647 3.507 ( -2.069 -0.252 -3.018) 3.668 3.665 ( 1.080 0.652 0.948) 1.578 3.671 ( 0.372 0.564 2.144) 2.248 3.752 ( -0.085 1.264 1.189) 1.737 3.781 ( -1.785 0.682 -1.005) 2.159 3.843 ( 0.695 0.394 0.483) 0.933 3.876 ( 0.882 0.400 -2.652) 2.823 3.966 ( -1.096 -1.025 0.095) 1.504 4.050 ( 0.533 -0.443 -5.505) 5.549 4.107 ( -1.172 0.486 0.396) 1.329 4.164 ( 0.580 -0.340 -0.549) 0.868 4.194 ( 1.583 -0.639 -2.211) 2.794 4.209 ( 0.095 1.394 -0.921) 1.674 4.283 ( 0.001 0.048 1.407) 1.408 4.329 ( 0.995 1.377 -0.441) 1.755 4.462 ( 0.693 -2.304 3.455) 4.210 4.523 ( -1.253 -1.146 -0.175) 1.707 4.551 ( -1.120 -1.034 4.843) 5.078 4.593 ( -0.224 -5.011 0.233) 5.022 4.641 ( -0.531 -3.361 -0.490) 3.438 4.691 ( 0.073 -2.834 -0.453) 2.871 4.768 ( 1.671 -2.729 2.233) 3.902 4.792 ( -2.274 -2.012 -3.153) 4.378 4.948 ( 1.733 1.212 2.366) 3.173 5.047 ( 3.265 -2.599 -3.143) 5.224 7.137 ( -0.241 0.315 0.063) 0.401 7.144 ( 0.167 0.378 -0.128) 0.433 8.440 ( 0.254 5.464 0.466) 5.490 8.508 ( 4.686 3.835 -0.408) 6.069 9.695 ( -3.309 -0.865 -0.737) 3.498 9.765 ( 1.463 -3.484 -0.201) 3.784 9.891 ( 0.054 2.746 1.390) 3.078 9.928 ( -0.307 -0.826 -0.717) 1.136 10.101 ( -1.934 2.658 -0.299) 3.301 10.131 ( 0.054 2.424 -0.647) 2.509 10.243 ( -2.459 -1.646 2.228) 3.704 10.311 ( -0.248 -2.062 -1.233) 2.416 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -8.042 6.118 -0.819) 10.137 0.556 ( -10.107 4.409 1.155) 11.087 0.692 ( 2.802 2.514 0.727) 3.834 0.733 ( -0.438 3.028 1.833) 3.567 0.833 ( -3.976 -1.585 0.087) 4.281 0.868 ( -0.566 -2.329 2.815) 3.697 0.909 ( 0.746 0.662 0.156) 1.009 0.946 ( -7.745 2.080 0.505) 8.035 0.990 ( -1.967 2.153 -5.348) 6.091 1.062 ( -4.065 -0.495 -0.479) 4.123 1.080 ( -4.283 0.224 -4.609) 6.296 1.169 ( -2.685 2.713 -0.530) 3.853 1.336 ( 4.827 5.357 1.844) 7.443 1.377 ( 5.306 -3.013 1.522) 6.288 1.395 ( 2.299 -3.816 0.187) 4.459 1.518 ( 3.270 -1.310 1.539) 3.844 1.642 ( -1.641 -1.603 1.049) 2.522 1.679 ( -2.663 -0.960 -2.037) 3.487 1.753 ( -0.903 1.395 -3.442) 3.822 1.806 ( 1.464 0.049 2.759) 3.123 1.981 ( -1.246 -0.433 -0.398) 1.378 1.998 ( 0.327 -3.300 3.838) 5.072 2.051 ( -0.211 0.181 -0.108) 0.298 2.070 ( -0.600 2.169 0.272) 2.267 2.118 ( 2.780 1.025 -1.300) 3.235 2.128 ( 2.911 1.494 -2.054) 3.863 2.204 ( 2.779 0.918 -0.893) 3.059 2.227 ( 3.446 1.103 -1.398) 3.878 2.361 ( -1.445 -2.218 -1.387) 2.989 2.443 ( 0.417 -2.365 2.018) 3.137 2.478 ( -0.994 -1.778 2.714) 3.393 2.503 ( -0.129 -1.475 0.254) 1.502 2.572 ( -2.908 -3.300 1.396) 4.614 2.648 ( -4.795 -2.003 2.203) 5.644 2.719 ( -2.612 -0.611 -1.025) 2.872 2.826 ( -1.488 -0.305 0.372) 1.564 2.992 ( 0.160 1.764 -0.150) 1.778 3.046 ( 0.042 2.287 -0.402) 2.322 3.113 ( 0.114 0.383 -0.270) 0.482 3.148 ( -1.284 1.501 0.128) 1.979 3.192 ( 1.153 1.178 0.068) 1.650 3.230 ( 1.197 1.167 -1.306) 2.121 3.244 ( 1.834 2.634 0.224) 3.217 3.291 ( -0.445 1.360 -1.827) 2.321 3.328 ( -0.226 0.228 1.068) 1.116 3.446 ( 0.368 0.530 -0.022) 0.646 3.473 ( 0.406 1.080 0.163) 1.165 3.529 ( 3.196 1.769 5.343) 6.472 3.642 ( -1.074 0.256 -0.985) 1.480 3.683 ( -1.450 0.365 -2.167) 2.633 3.739 ( 0.127 -0.129 -0.222) 0.286 3.785 ( -0.074 2.069 2.518) 3.259 3.842 ( -0.176 -0.077 -2.783) 2.790 3.875 ( 0.414 -1.390 0.465) 1.524 3.963 ( -1.034 0.525 2.198) 2.485 4.006 ( 0.518 -0.284 -4.979) 5.014 4.103 ( 0.132 1.305 0.957) 1.623 4.160 ( 0.085 0.465 -0.009) 0.473 4.188 ( -0.531 1.089 -1.180) 1.691 4.206 ( 1.888 -1.000 -1.398) 2.553 4.316 ( 2.056 -0.712 0.650) 2.271 4.377 ( 2.765 1.656 0.871) 3.339 4.467 ( -2.705 -1.871 2.500) 4.131 4.514 ( -2.311 -2.506 -1.093) 3.580 4.526 ( 0.609 -2.130 -0.223) 2.227 4.587 ( -2.580 -2.316 -2.440) 4.240 4.638 ( 0.078 -1.790 3.172) 3.643 4.674 ( -2.777 -3.134 0.663) 4.240 4.731 ( 0.839 -3.371 -4.109) 5.381 4.838 ( 2.279 -0.899 3.967) 4.662 4.994 ( 2.440 -1.440 -0.699) 2.918 5.106 ( 5.025 -0.771 -1.936) 5.440 7.133 ( -0.213 0.277 0.096) 0.363 7.145 ( 0.113 0.431 -0.186) 0.482 8.490 ( 4.860 7.948 0.864) 9.356 8.616 ( 7.371 3.208 -1.381) 8.156 9.611 ( -4.305 0.016 -1.969) 4.734 9.768 ( -1.412 -3.792 0.963) 4.159 9.890 ( -1.294 0.220 -1.375) 1.901 9.913 ( 0.318 2.297 -0.191) 2.326 10.048 ( -3.176 3.615 -0.199) 4.816 10.113 ( -1.713 0.330 0.623) 1.853 10.219 ( -3.585 -3.224 3.531) 5.976 10.287 ( -1.219 -1.643 -0.931) 2.248 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -5.253 12.145 6.644) 14.807 0.383 ( -9.852 8.894 3.151) 13.641 0.612 ( -13.023 11.492 3.597) 17.737 0.740 ( 0.131 -0.147 -3.530) 3.535 0.774 ( 0.892 -0.044 1.316) 1.591 0.840 ( -4.740 0.501 -7.410) 8.811 0.856 ( 0.142 1.179 2.455) 2.727 0.881 ( 0.578 -0.454 -1.330) 1.520 0.935 ( -1.002 -0.728 1.899) 2.267 1.037 ( 0.745 -3.094 0.820) 3.286 1.080 ( -1.542 -2.683 3.239) 4.480 1.127 ( -0.957 -0.340 1.099) 1.496 1.352 ( 0.477 -1.904 -2.071) 2.853 1.463 ( 1.936 -3.829 0.250) 4.298 1.471 ( 4.619 -2.613 -1.591) 5.540 1.586 ( -0.248 1.496 -0.546) 1.611 1.610 ( -0.404 -1.119 0.026) 1.190 1.634 ( 1.467 0.248 -1.105) 1.853 1.738 ( 0.293 2.383 -0.435) 2.440 1.854 ( 0.831 -1.535 1.800) 2.507 1.949 ( -0.747 -0.630 -1.713) 1.972 2.003 ( -1.761 2.168 -0.369) 2.817 2.039 ( -1.047 -0.867 -0.945) 1.655 2.065 ( 1.004 -0.381 0.155) 1.085 2.095 ( 1.499 1.050 -0.740) 1.974 2.186 ( -0.445 -1.266 0.590) 1.466 2.242 ( 3.293 -1.046 -0.455) 3.485 2.285 ( 1.451 -2.329 -0.570) 2.803 2.349 ( 1.272 0.246 0.359) 1.344 2.424 ( -3.569 -2.193 -0.605) 4.232 2.453 ( 0.192 -1.327 0.460) 1.417 2.506 ( -0.051 -2.631 0.792) 2.748 2.557 ( -1.287 1.104 -1.551) 2.298 2.630 ( -2.678 1.259 -0.088) 2.960 2.645 ( -3.304 -2.485 0.535) 4.169 2.759 ( -5.041 1.501 -1.167) 5.388 3.002 ( 0.632 1.924 -0.007) 2.025 3.043 ( -0.958 3.540 0.474) 3.697 3.121 ( -1.827 0.012 4.027) 4.422 3.148 ( 1.903 0.426 1.134) 2.256 3.212 ( 1.023 1.037 -1.984) 2.462 3.220 ( 0.560 1.713 -1.030) 2.076 3.246 ( 1.668 2.104 -1.638) 3.146 3.319 ( 1.805 2.353 1.609) 3.374 3.341 ( 0.429 0.246 0.832) 0.968 3.430 ( -1.875 0.936 -0.111) 2.098 3.493 ( 0.058 -0.432 1.528) 1.589 3.621 ( -0.773 -0.757 -3.383) 3.551 3.635 ( 1.021 1.220 0.900) 1.828 3.660 ( 3.912 1.334 0.917) 4.234 3.750 ( -0.040 -0.545 1.949) 2.024 3.789 ( -0.636 0.975 0.466) 1.254 3.815 ( 0.145 0.508 -1.164) 1.279 3.857 ( -0.440 -0.716 -3.565) 3.662 3.958 ( -1.878 1.066 3.005) 3.700 3.981 ( 0.107 -0.292 -0.996) 1.044 4.112 ( -0.238 2.131 -0.097) 2.146 4.173 ( 1.079 -0.073 0.720) 1.299 4.213 ( 3.668 -0.237 -0.154) 3.679 4.259 ( 4.514 0.922 2.794) 5.388 4.327 ( -2.026 -3.628 -1.177) 4.319 4.379 ( -3.005 -1.385 -0.725) 3.387 4.438 ( -2.428 -0.098 -3.532) 4.287 4.470 ( -0.777 -0.836 0.713) 1.346 4.517 ( -1.040 -0.700 0.593) 1.387 4.537 ( -0.235 -0.420 0.736) 0.880 4.614 ( -2.902 -2.621 0.430) 3.934 4.666 ( -0.239 -3.283 1.513) 3.623 4.730 ( 1.806 -2.776 -1.613) 3.684 4.948 ( 5.668 2.415 3.833) 7.256 5.000 ( -0.239 -5.037 -3.065) 5.901 5.167 ( 2.958 1.930 0.019) 3.531 7.133 ( -0.045 0.368 0.222) 0.433 7.145 ( 0.117 0.366 -0.217) 0.441 8.640 ( 11.216 11.787 -1.051) 16.304 8.707 ( 4.688 3.334 -2.706) 6.357 9.520 ( -3.670 1.328 0.892) 4.004 9.743 ( -2.009 -2.636 0.628) 3.373 9.852 ( -1.391 1.140 0.170) 1.806 9.915 ( 0.484 1.341 -1.185) 1.854 10.009 ( -1.132 4.000 0.696) 4.215 10.089 ( -1.770 -0.231 0.849) 1.977 10.159 ( -8.638 -8.583 3.963) 12.806 10.249 ( -1.468 -1.675 -1.712) 2.809 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -5.308 6.075 8.615) 11.803 0.545 ( -1.358 12.649 1.197) 12.778 0.668 ( -0.710 3.803 -7.023) 8.018 0.750 ( 2.679 0.478 -3.958) 4.803 0.799 ( 1.016 0.557 -0.090) 1.162 0.827 ( -0.971 -1.642 0.668) 2.021 0.898 ( 2.868 0.815 -2.026) 3.605 0.921 ( -1.674 2.678 -1.587) 3.534 0.981 ( -0.122 7.545 6.874) 10.208 1.036 ( 2.304 -2.626 5.542) 6.551 1.056 ( 0.621 0.239 2.908) 2.983 1.106 ( 0.283 0.131 2.655) 2.673 1.285 ( 1.803 -4.122 -0.918) 4.592 1.356 ( -1.075 -5.436 1.694) 5.795 1.413 ( -1.130 -5.826 -0.022) 5.934 1.533 ( 0.028 1.591 -7.684) 7.847 1.635 ( -1.052 2.935 -2.280) 3.862 1.694 ( 1.802 -1.767 2.634) 3.648 1.747 ( -1.060 0.299 -2.482) 2.716 1.790 ( -1.441 -1.918 -0.413) 2.435 1.887 ( 0.533 -2.492 -1.398) 2.907 1.950 ( -0.387 -2.233 -0.936) 2.453 2.082 ( 1.454 -1.006 1.131) 2.099 2.108 ( 0.399 1.202 -0.266) 1.294 2.116 ( -0.689 1.846 -0.127) 1.974 2.171 ( -0.354 -0.159 0.093) 0.400 2.202 ( -1.346 -0.378 0.409) 1.457 2.243 ( 0.581 -1.276 -0.991) 1.717 2.358 ( -0.262 -1.464 -0.708) 1.647 2.380 ( -0.235 -1.506 -0.660) 1.661 2.432 ( 2.011 -1.593 1.553) 2.999 2.517 ( -0.231 2.870 1.170) 3.108 2.540 ( -2.533 -2.218 -2.548) 4.222 2.595 ( 0.254 2.104 -2.197) 3.052 2.670 ( 0.711 3.657 0.854) 3.822 2.714 ( -1.396 3.043 -1.284) 3.586 3.069 ( 1.341 2.480 0.675) 2.899 3.101 ( -1.603 4.224 0.043) 4.518 3.142 ( 0.183 0.826 2.790) 2.915 3.174 ( -1.122 1.154 -0.534) 1.696 3.243 ( 0.777 0.355 -0.146) 0.867 3.276 ( 3.156 1.583 0.735) 3.606 3.296 ( 0.591 0.273 -1.291) 1.446 3.332 ( -0.026 -0.897 -0.134) 0.907 3.412 ( -1.445 1.354 3.113) 3.689 3.435 ( -0.444 3.857 1.673) 4.227 3.502 ( 0.242 -0.156 3.510) 3.522 3.569 ( 0.546 -0.762 -1.140) 1.477 3.648 ( -1.958 0.457 -4.566) 4.989 3.671 ( -1.947 -0.348 -1.970) 2.792 3.751 ( 1.322 -0.628 0.962) 1.752 3.777 ( -0.220 0.207 -0.491) 0.576 3.816 ( 0.439 1.097 -0.269) 1.211 3.844 ( 0.497 0.519 -0.145) 0.733 3.979 ( -0.980 0.797 1.976) 2.345 4.043 ( 3.328 0.148 -0.831) 3.433 4.149 ( 0.668 2.079 -0.371) 2.215 4.176 ( -1.814 1.606 -0.739) 2.533 4.232 ( 0.927 -0.406 -0.080) 1.015 4.263 ( -3.472 -0.496 -0.071) 3.508 4.306 ( 3.176 -0.471 2.585) 4.122 4.364 ( 0.938 -1.717 3.023) 3.601 4.402 ( -1.429 -0.099 -2.038) 2.491 4.458 ( 0.123 -0.857 -1.677) 1.888 4.488 ( -0.926 -2.184 1.142) 2.633 4.518 ( 0.657 -3.170 0.004) 3.237 4.578 ( 0.688 -0.156 1.905) 2.031 4.596 ( -0.279 -3.489 1.546) 3.826 4.702 ( 2.209 -3.195 1.337) 4.108 4.851 ( -3.233 -4.129 -0.587) 5.277 5.051 ( 0.868 0.343 0.049) 0.935 5.191 ( -0.177 -1.755 -2.913) 3.405 7.146 ( -0.115 0.639 0.319) 0.723 7.153 ( 0.189 0.403 0.011) 0.445 8.806 ( -0.509 5.453 -1.728) 5.743 8.870 ( 0.804 3.233 -4.188) 5.352 9.582 ( 1.793 0.267 4.302) 4.668 9.681 ( 0.141 -2.230 -1.225) 2.548 9.871 ( -1.515 2.145 1.567) 3.058 9.943 ( -0.086 1.389 0.190) 1.405 9.988 ( -1.906 1.211 3.585) 4.237 10.067 ( 0.099 2.597 0.406) 2.631 10.095 ( 0.906 0.995 -0.082) 1.348 10.178 ( 0.353 -2.449 -2.822) 3.753 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 2.535 6.058 6.225) 9.048 0.570 ( 2.250 8.058 3.597) 9.107 0.678 ( 6.327 8.201 -1.432) 10.457 0.770 ( -0.418 1.083 -2.449) 2.710 0.791 ( 4.933 -0.953 -3.411) 6.073 0.827 ( -0.690 4.667 -0.319) 4.729 0.877 ( -0.605 -2.454 -1.241) 2.816 0.928 ( 1.109 0.682 -0.652) 1.457 1.022 ( -0.570 0.595 3.622) 3.714 1.094 ( 1.482 -1.893 -0.470) 2.450 1.142 ( 3.306 -2.628 1.228) 4.398 1.183 ( 2.304 -4.005 1.453) 4.843 1.331 ( -2.175 3.005 -0.915) 3.820 1.353 ( 4.246 0.895 1.705) 4.662 1.389 ( 0.368 -1.666 1.093) 2.026 1.434 ( -0.155 2.007 -3.992) 4.471 1.631 ( -1.331 -1.163 1.714) 2.462 1.691 ( -0.963 -0.198 -3.564) 3.697 1.724 ( 0.801 -1.991 0.884) 2.320 1.790 ( 1.453 0.617 0.612) 1.693 1.918 ( 1.413 -1.666 0.372) 2.216 1.936 ( 0.860 -1.734 -0.534) 2.008 2.070 ( -2.198 0.741 -1.841) 2.961 2.082 ( -2.161 -0.376 0.926) 2.381 2.129 ( 1.152 -0.556 -1.377) 1.880 2.161 ( 0.176 -1.695 -0.477) 1.769 2.211 ( 0.515 0.388 1.191) 1.354 2.246 ( 0.626 -0.828 0.125) 1.045 2.350 ( -0.317 -1.417 0.533) 1.547 2.368 ( -0.103 -1.820 -0.825) 2.001 2.435 ( -3.370 -0.206 -2.372) 4.126 2.502 ( -1.875 0.526 1.319) 2.352 2.525 ( 3.250 -0.477 2.881) 4.370 2.601 ( 0.933 2.373 -1.397) 2.907 2.682 ( 1.703 1.517 0.106) 2.283 2.731 ( 2.451 1.706 -0.525) 3.032 3.064 ( -1.533 3.336 -0.536) 3.711 3.109 ( 1.422 2.934 1.091) 3.438 3.149 ( -0.683 1.226 0.444) 1.472 3.173 ( -0.063 1.044 0.285) 1.084 3.217 ( -2.071 0.528 -0.029) 2.137 3.259 ( -3.207 -0.664 -2.214) 3.953 3.324 ( 1.313 -0.119 -1.471) 1.975 3.346 ( 1.041 1.184 1.282) 2.032 3.402 ( -1.781 3.791 2.633) 4.947 3.465 ( 0.141 2.268 1.994) 3.023 3.511 ( -1.592 1.355 1.467) 2.554 3.537 ( -3.371 0.787 -2.507) 4.274 3.607 ( -0.607 -2.063 -3.652) 4.238 3.636 ( 2.505 -3.064 3.610) 5.357 3.764 ( 0.118 2.615 -2.366) 3.528 3.782 ( 0.839 0.133 1.309) 1.560 3.833 ( 1.860 0.896 -0.487) 2.122 3.866 ( 1.350 0.527 -0.107) 1.453 3.976 ( -1.475 0.213 1.887) 2.405 4.075 ( 1.610 -2.207 -1.929) 3.344 4.141 ( -0.661 2.874 -0.274) 2.962 4.173 ( 1.028 0.648 0.606) 1.358 4.211 ( -0.975 1.365 -1.319) 2.134 4.263 ( 0.776 0.233 2.783) 2.898 4.316 ( -2.390 1.120 -1.485) 3.028 4.368 ( -1.728 -0.635 0.079) 1.843 4.389 ( 0.286 -0.600 -0.034) 0.666 4.463 ( 1.468 -3.905 -0.922) 4.273 4.493 ( 0.713 -2.661 1.488) 3.131 4.534 ( 0.719 -4.255 -0.824) 4.393 4.570 ( -1.731 -3.300 1.390) 3.977 4.624 ( 0.553 0.622 0.078) 0.835 4.716 ( -4.093 -2.200 -2.828) 5.440 4.792 ( 0.599 -1.467 3.522) 3.862 5.053 ( -2.903 -1.667 1.750) 3.777 5.124 ( -2.639 -3.935 -2.833) 5.520 7.144 ( -0.227 0.658 0.182) 0.719 7.156 ( 0.087 0.455 -0.085) 0.471 8.736 ( -5.764 6.299 0.104) 8.539 8.784 ( -5.193 3.898 -2.427) 6.932 9.636 ( 0.575 -1.670 0.912) 1.987 9.675 ( 0.740 -2.364 -0.706) 2.576 9.880 ( 0.914 3.323 1.817) 3.896 9.943 ( 0.454 2.740 -1.677) 3.244 10.045 ( 3.083 -0.720 3.868) 4.998 10.099 ( 2.123 2.228 1.250) 3.322 10.132 ( 2.575 1.577 -0.264) 3.031 10.177 ( 3.036 -3.566 -2.941) 5.530 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 4.968 3.743 3.017) 6.913 0.692 ( 4.230 3.056 6.122) 8.044 0.734 ( 0.923 3.004 -0.769) 3.235 0.782 ( 0.853 5.460 -0.649) 5.564 0.842 ( 1.971 3.903 0.129) 4.375 0.861 ( 4.426 4.214 0.803) 6.163 0.883 ( 4.601 -0.260 -1.365) 4.807 0.922 ( 1.166 -0.432 -3.526) 3.739 1.018 ( -3.053 -2.524 -3.085) 5.021 1.058 ( -0.352 -0.314 0.430) 0.638 1.173 ( -0.977 0.594 -3.561) 3.740 1.214 ( 2.433 1.731 -2.384) 3.821 1.278 ( 1.555 -3.754 1.283) 4.261 1.370 ( 0.702 -0.091 -0.024) 0.709 1.450 ( 3.091 -2.027 -2.126) 4.264 1.522 ( 1.861 -0.981 4.572) 5.033 1.638 ( 0.278 2.514 0.161) 2.535 1.670 ( 1.673 2.939 0.687) 3.451 1.754 ( 0.794 -0.894 0.975) 1.542 1.818 ( 0.921 1.153 -0.183) 1.487 1.919 ( 1.085 -1.559 -0.926) 2.113 1.954 ( -1.381 0.277 2.670) 3.018 2.036 ( -0.634 0.228 -0.085) 0.679 2.068 ( 0.644 0.298 0.056) 0.712 2.097 ( -1.383 0.773 -1.854) 2.439 2.168 ( 0.538 -0.405 -0.596) 0.899 2.218 ( -2.148 0.603 0.664) 2.328 2.238 ( -1.643 -0.388 -0.775) 1.857 2.352 ( -0.772 0.259 -0.766) 1.118 2.364 ( 0.923 -2.294 0.661) 2.559 2.397 ( 1.061 -1.327 1.235) 2.100 2.497 ( 0.677 -0.673 0.879) 1.298 2.594 ( -0.359 0.665 -0.834) 1.125 2.623 ( 3.367 -3.348 2.912) 5.570 2.705 ( 1.189 -1.307 -1.737) 2.478 2.765 ( 0.245 -1.520 1.234) 1.973 3.033 ( -1.132 2.545 -0.710) 2.875 3.099 ( -3.707 0.695 -1.394) 4.021 3.144 ( -1.483 0.336 0.538) 1.613 3.168 ( 0.825 -0.343 1.233) 1.523 3.181 ( 0.773 2.268 -0.597) 2.469 3.235 ( 0.479 0.842 0.587) 1.133 3.292 ( -1.600 0.279 -3.624) 3.971 3.325 ( -2.348 0.231 0.093) 2.361 3.392 ( -1.328 4.784 -0.916) 5.049 3.465 ( -0.244 2.373 -0.040) 2.386 3.512 ( -1.835 1.485 5.030) 5.557 3.537 ( 0.793 -0.652 3.104) 3.269 3.567 ( 0.965 0.271 -3.822) 3.951 3.690 ( -0.775 -1.979 1.473) 2.586 3.758 ( 2.267 2.836 -0.977) 3.760 3.805 ( 0.481 -0.026 0.297) 0.566 3.864 ( 1.684 0.379 0.139) 1.732 3.870 ( 0.090 1.899 -1.379) 2.349 3.969 ( -0.877 -1.297 0.624) 1.686 4.071 ( -0.622 -2.894 -0.249) 2.971 4.145 ( 0.612 2.642 0.194) 2.719 4.169 ( 0.624 1.411 -2.758) 3.160 4.200 ( 0.339 0.634 -2.074) 2.195 4.280 ( -1.087 1.395 -0.111) 1.772 4.311 ( 0.317 -0.933 -1.152) 1.516 4.317 ( -0.840 1.034 3.409) 3.660 4.370 ( -1.433 0.254 -0.814) 1.667 4.461 ( -1.131 -3.927 0.108) 4.088 4.516 ( -0.819 -3.810 -0.704) 3.961 4.530 ( 0.488 -1.712 1.613) 2.402 4.561 ( -0.569 -4.954 0.670) 5.032 4.611 ( -0.163 0.331 -1.152) 1.210 4.662 ( 0.286 -4.238 -0.904) 4.342 4.829 ( -1.566 -3.700 3.580) 5.381 4.967 ( -4.094 -0.264 -2.715) 4.920 5.075 ( -2.942 -3.539 1.099) 4.732 7.143 ( 0.007 0.568 0.030) 0.569 7.154 ( -0.090 0.427 -0.186) 0.475 8.632 ( -5.898 5.619 1.074) 8.216 8.662 ( -5.874 4.755 -1.114) 7.639 9.648 ( 1.875 -1.594 -1.472) 2.867 9.687 ( 0.287 -3.078 0.520) 3.135 9.920 ( 1.490 3.794 0.499) 4.107 9.940 ( 0.832 3.578 -0.254) 3.682 10.128 ( 2.556 0.163 0.767) 2.673 10.144 ( 2.027 -0.253 -0.031) 2.043 10.174 ( 2.036 1.218 1.296) 2.703 10.223 ( 3.639 -3.503 -1.303) 5.217 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.578 3.053 1.140) 3.310 0.736 ( -0.040 1.524 -2.160) 2.643 0.767 ( 1.066 5.616 0.699) 5.759 0.821 ( -1.205 1.208 -0.705) 1.846 0.848 ( -0.199 0.299 -0.919) 0.987 0.878 ( 2.407 2.646 0.916) 3.692 0.935 ( 3.832 -1.104 0.847) 4.077 0.946 ( -0.977 4.827 -2.766) 5.649 1.018 ( 3.837 3.353 3.140) 5.985 1.060 ( -0.200 1.955 2.949) 3.544 1.170 ( 1.394 -0.787 1.990) 2.554 1.206 ( 0.379 0.202 -3.898) 3.922 1.327 ( 1.785 -1.404 -0.083) 2.272 1.377 ( 1.042 0.913 -2.233) 2.627 1.476 ( 1.478 -2.458 -2.062) 3.533 1.558 ( -1.842 0.052 1.748) 2.540 1.618 ( -0.145 0.666 0.330) 0.757 1.683 ( -0.343 0.091 -0.492) 0.606 1.749 ( -0.612 1.188 -4.276) 4.480 1.838 ( 1.186 0.903 -0.116) 1.495 1.947 ( 0.374 0.324 1.948) 2.009 1.969 ( 0.065 -0.568 2.918) 2.974 2.038 ( 0.680 0.466 0.372) 0.905 2.054 ( -0.353 0.868 -1.372) 1.662 2.103 ( -0.285 3.558 2.112) 4.148 2.138 ( -3.133 1.540 0.068) 3.492 2.183 ( 0.913 1.256 -0.430) 1.611 2.218 ( 0.259 1.440 -0.509) 1.549 2.344 ( 0.076 1.031 0.221) 1.058 2.380 ( 0.202 -2.950 -0.145) 2.960 2.429 ( -0.385 -2.079 1.241) 2.451 2.556 ( 3.869 -3.725 0.515) 5.395 2.561 ( -1.449 -1.505 -1.685) 2.684 2.677 ( -0.751 -3.665 0.098) 3.742 2.701 ( 1.886 -4.253 -0.651) 4.698 2.747 ( -2.838 -4.008 0.052) 4.912 3.015 ( -0.330 2.003 0.192) 2.039 3.049 ( -0.543 0.857 -0.062) 1.016 3.115 ( -0.365 0.172 -0.456) 0.608 3.183 ( -1.018 -1.097 -0.030) 1.497 3.221 ( 0.736 1.263 2.080) 2.542 3.236 ( -0.028 0.807 -2.116) 2.265 3.250 ( 1.537 2.073 0.177) 2.587 3.304 ( -0.929 -0.086 -0.553) 1.084 3.374 ( 0.660 4.093 0.967) 4.257 3.436 ( -1.976 2.069 -1.677) 3.316 3.513 ( -1.392 0.471 -1.893) 2.397 3.525 ( -1.595 0.145 1.797) 2.407 3.620 ( 2.069 0.859 3.904) 4.501 3.681 ( -0.458 0.365 0.516) 0.780 3.790 ( 1.515 2.265 -1.464) 3.093 3.808 ( -0.227 1.164 1.132) 1.640 3.855 ( 0.049 1.677 -1.246) 2.090 3.894 ( 1.332 0.909 -0.146) 1.619 3.951 ( -1.163 -1.943 -0.097) 2.267 4.053 ( -1.128 -2.927 -0.055) 3.137 4.143 ( -0.141 2.217 -2.038) 3.014 4.163 ( 1.679 1.161 -2.184) 2.990 4.189 ( 1.061 0.532 -2.312) 2.599 4.243 ( 0.225 1.946 -1.738) 2.619 4.313 ( -2.835 2.067 2.728) 4.444 4.345 ( -0.701 -1.197 1.025) 1.725 4.363 ( 2.543 -1.360 0.101) 2.885 4.461 ( -0.072 -3.861 2.015) 4.356 4.504 ( -0.021 -2.855 0.167) 2.860 4.527 ( -2.117 -4.112 1.825) 4.972 4.564 ( -0.242 -4.314 0.652) 4.370 4.616 ( 1.460 -2.257 -0.808) 2.807 4.670 ( 0.660 -3.529 0.598) 3.640 4.801 ( -3.043 -5.890 -0.495) 6.648 4.913 ( 0.028 1.309 0.442) 1.382 5.028 ( -2.268 -2.350 -0.771) 3.356 7.146 ( 0.164 0.477 0.053) 0.507 7.151 ( -0.066 0.393 -0.127) 0.418 8.561 ( -2.903 5.279 0.901) 6.092 8.577 ( -2.011 4.912 -0.544) 5.335 9.674 ( 1.952 -2.710 -0.704) 3.414 9.688 ( -0.594 -3.073 0.140) 3.133 9.940 ( 1.089 4.445 0.045) 4.577 9.959 ( 0.110 3.642 0.657) 3.703 10.152 ( 0.482 0.716 -0.189) 0.883 10.169 ( 1.170 0.226 -1.262) 1.735 10.216 ( 0.416 -0.679 1.697) 1.875 10.260 ( 1.506 -2.816 -0.807) 3.294 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( -2.682 5.631 -0.006) 6.237 0.698 ( -1.792 1.887 0.344) 2.625 0.745 ( -2.396 3.660 -0.974) 4.481 0.790 ( 1.039 4.584 -0.273) 4.708 0.857 ( -1.896 3.547 -1.632) 4.340 0.883 ( 0.979 0.504 0.348) 1.155 0.947 ( -3.160 0.843 2.143) 3.910 0.956 ( -0.507 2.632 1.372) 3.011 1.096 ( 0.642 -3.407 4.745) 5.876 1.121 ( -1.487 1.358 -5.870) 6.206 1.142 ( 4.054 -2.840 0.371) 4.964 1.206 ( -2.181 -1.403 -1.020) 2.787 1.343 ( 0.360 5.253 5.214) 7.410 1.395 ( 0.408 0.338 -1.385) 1.483 1.428 ( -2.106 2.264 -2.404) 3.916 1.487 ( -2.798 3.463 -5.211) 6.854 1.625 ( -0.947 -0.787 1.015) 1.596 1.694 ( -0.511 0.070 -0.797) 0.950 1.720 ( 1.948 -3.302 2.160) 4.400 1.816 ( -1.354 -0.431 -3.416) 3.700 1.947 ( -1.332 -0.258 1.247) 1.843 1.979 ( -1.762 -0.486 1.478) 2.351 2.062 ( 0.967 1.254 1.128) 1.944 2.080 ( 3.113 1.780 0.612) 3.638 2.107 ( -0.792 2.377 0.551) 2.565 2.131 ( 2.782 1.542 0.162) 3.185 2.205 ( 0.525 0.167 0.299) 0.627 2.226 ( 0.901 2.426 -0.898) 2.739 2.352 ( -0.453 -1.749 0.420) 1.855 2.362 ( -0.176 -2.262 -0.671) 2.366 2.434 ( -0.503 -1.167 2.563) 2.860 2.500 ( -1.118 -2.482 -3.078) 4.109 2.585 ( -3.578 -1.668 1.015) 4.076 2.663 ( -3.300 -3.330 0.265) 4.695 2.685 ( 2.059 -4.248 -1.123) 4.852 2.759 ( 3.068 -4.166 0.073) 5.174 3.020 ( 0.292 1.805 0.338) 1.859 3.065 ( 2.158 0.957 -0.848) 2.509 3.127 ( 0.420 0.435 1.163) 1.310 3.157 ( 0.094 0.576 -0.720) 0.927 3.220 ( -1.196 0.710 -0.262) 1.415 3.241 ( 1.063 0.265 -0.285) 1.132 3.264 ( -0.699 1.586 0.675) 1.860 3.315 ( 2.169 1.830 0.018) 2.838 3.378 ( -2.219 2.413 -0.805) 3.376 3.424 ( 2.426 1.087 1.079) 2.869 3.483 ( 0.268 -0.609 -0.519) 0.843 3.497 ( -1.151 0.508 -1.059) 1.645 3.661 ( -0.890 -0.324 1.141) 1.483 3.693 ( -0.256 0.997 2.830) 3.012 3.795 ( -0.607 1.940 -0.997) 2.264 3.807 ( 0.214 2.754 0.506) 2.808 3.854 ( 0.082 1.330 0.450) 1.407 3.895 ( -0.136 1.375 -2.070) 2.489 3.946 ( -0.236 -0.810 2.067) 2.232 4.028 ( -0.212 -1.996 -2.443) 3.162 4.123 ( 0.496 1.740 -1.951) 2.661 4.169 ( 1.738 0.095 -2.273) 2.863 4.188 ( 0.283 0.772 -0.826) 1.166 4.238 ( -0.112 1.477 -1.967) 2.463 4.295 ( -1.006 1.168 2.037) 2.554 4.352 ( 1.589 1.141 1.231) 2.312 4.413 ( 1.263 -2.441 1.561) 3.161 4.466 ( 0.314 -5.985 -1.938) 6.298 4.506 ( -1.996 -2.353 1.883) 3.615 4.517 ( -0.086 -2.666 1.738) 3.184 4.571 ( -0.029 -3.934 1.054) 4.073 4.633 ( 0.911 -3.080 -0.274) 3.224 4.702 ( 0.897 -3.960 2.943) 5.014 4.734 ( -2.067 -3.915 -2.899) 5.292 4.961 ( 2.375 0.057 1.505) 2.812 4.996 ( 1.742 -2.528 -1.901) 3.611 7.145 ( -0.231 0.506 0.036) 0.557 7.152 ( 0.222 0.395 -0.110) 0.467 8.554 ( 1.680 5.964 0.542) 6.220 8.590 ( 3.685 4.306 -0.180) 5.670 9.664 ( -1.977 -2.083 -0.485) 2.913 9.696 ( 0.708 -3.514 -0.086) 3.586 9.947 ( -1.539 2.840 0.082) 3.231 9.963 ( 0.729 4.683 0.665) 4.786 10.146 ( -1.142 1.477 -0.191) 1.877 10.151 ( -1.937 -1.124 -0.876) 2.405 10.221 ( -1.331 0.024 1.105) 1.730 10.264 ( -0.087 -2.535 -0.643) 2.617 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -4.737 8.310 3.217) 10.091 0.630 ( -7.505 5.938 3.316) 10.128 0.728 ( 1.018 0.942 -0.951) 1.682 0.810 ( 0.229 3.410 0.925) 3.541 0.823 ( -1.857 2.552 1.588) 3.533 0.855 ( -2.963 0.384 -1.301) 3.259 0.902 ( 0.441 -0.136 1.387) 1.462 0.980 ( -4.374 0.420 -4.699) 6.434 1.010 ( -0.809 1.006 -0.380) 1.346 1.052 ( -2.144 -0.070 -3.201) 3.853 1.127 ( -3.200 -0.997 -2.148) 3.981 1.236 ( -7.767 5.467 -3.158) 10.009 1.279 ( 3.456 -3.793 3.273) 6.086 1.326 ( -3.206 -1.210 -3.214) 4.698 1.422 ( -0.111 -0.451 0.325) 0.567 1.529 ( 3.626 2.464 5.448) 6.993 1.617 ( -0.534 -1.016 0.416) 1.221 1.683 ( 0.201 1.795 -0.995) 2.062 1.754 ( -0.664 -0.897 -2.328) 2.582 1.776 ( 0.475 -3.155 2.976) 4.363 1.941 ( -0.142 -2.081 -0.459) 2.136 1.973 ( -0.976 -0.290 2.080) 2.315 2.063 ( -0.912 0.776 -1.027) 1.577 2.101 ( 2.104 0.970 -0.009) 2.317 2.152 ( -0.727 1.158 -2.691) 3.019 2.159 ( 1.979 2.161 0.634) 2.998 2.210 ( 0.088 -1.040 1.129) 1.537 2.239 ( 1.670 0.243 -0.906) 1.915 2.329 ( -0.313 -0.599 0.668) 0.950 2.385 ( 0.290 -3.684 0.674) 3.756 2.452 ( -0.281 -0.675 -1.190) 1.397 2.468 ( -0.917 -1.411 1.607) 2.327 2.540 ( -0.384 -0.466 2.186) 2.268 2.619 ( -1.227 0.153 0.472) 1.324 2.694 ( -0.721 -2.277 -1.045) 2.608 2.804 ( 0.836 -2.159 0.491) 2.367 3.029 ( 0.493 2.009 0.018) 2.069 3.083 ( 1.397 1.433 -1.469) 2.482 3.129 ( 0.724 0.930 -0.459) 1.265 3.176 ( -1.842 1.581 0.849) 2.572 3.212 ( 2.069 0.524 0.659) 2.234 3.257 ( 1.283 0.071 -0.738) 1.482 3.265 ( 0.471 1.188 -1.805) 2.211 3.326 ( 0.547 1.430 -1.344) 2.038 3.359 ( -0.016 3.344 1.130) 3.530 3.450 ( 0.662 -0.351 0.611) 0.967 3.474 ( -0.318 -0.515 -1.182) 1.328 3.554 ( 4.124 0.236 4.057) 5.789 3.647 ( -1.747 0.557 1.247) 2.217 3.692 ( -1.969 0.161 0.167) 1.983 3.757 ( -0.470 2.124 -1.447) 2.613 3.819 ( -0.639 1.289 0.697) 1.599 3.843 ( -1.160 0.408 -1.620) 2.033 3.872 ( -0.617 1.059 0.249) 1.251 3.973 ( -0.403 0.607 3.394) 3.471 3.999 ( 1.068 -0.814 -4.605) 4.796 4.131 ( 1.360 1.867 0.277) 2.326 4.180 ( 1.209 0.921 -1.731) 2.303 4.188 ( 0.921 -0.038 -0.501) 1.049 4.206 ( -0.424 0.618 -0.839) 1.125 4.316 ( 0.718 0.797 0.442) 1.160 4.384 ( -0.538 -1.498 0.239) 1.609 4.439 ( -0.721 -2.905 1.000) 3.156 4.444 ( 1.508 -1.048 -1.932) 2.666 4.499 ( -1.097 -1.402 1.706) 2.465 4.531 ( 0.247 -3.471 0.567) 3.525 4.571 ( -0.843 -4.095 0.317) 4.193 4.638 ( -1.513 -1.991 0.666) 2.588 4.666 ( 0.519 -3.249 -4.552) 5.616 4.774 ( 2.004 -5.157 4.655) 7.231 4.978 ( 2.415 0.086 -1.790) 3.008 5.087 ( 5.732 -1.473 0.891) 5.985 7.141 ( -0.159 0.553 0.022) 0.576 7.153 ( 0.090 0.376 -0.178) 0.426 8.637 ( 6.693 6.790 0.792) 9.567 8.687 ( 6.896 3.806 -0.842) 7.922 9.609 ( -3.078 -0.073 -0.973) 3.229 9.698 ( -0.346 -3.461 0.047) 3.478 9.911 ( -2.145 2.200 -0.051) 3.073 9.977 ( 0.178 4.213 0.116) 4.219 10.086 ( -4.747 -2.143 1.211) 5.348 10.116 ( -2.210 2.112 0.002) 3.057 10.193 ( -2.738 0.341 0.265) 2.772 10.244 ( -1.398 -2.694 -0.593) 3.092 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -10.332 5.227 6.661) 13.358 0.588 ( -4.318 11.363 2.761) 12.465 0.734 ( -0.214 -0.380 -2.373) 2.413 0.769 ( -0.134 1.442 -1.096) 1.817 0.819 ( -1.524 4.166 -2.697) 5.191 0.835 ( -1.705 -0.451 -2.243) 2.854 0.870 ( 0.837 -0.265 2.421) 2.576 0.940 ( 0.368 0.945 0.488) 1.125 0.959 ( 0.367 0.860 -2.045) 2.249 0.989 ( -5.138 7.523 -0.752) 9.141 1.061 ( -1.654 0.306 3.464) 3.851 1.123 ( -3.615 0.613 0.117) 3.668 1.269 ( -0.077 -4.955 -0.965) 5.049 1.360 ( 0.193 -6.298 2.680) 6.847 1.405 ( 0.324 -4.416 -0.651) 4.475 1.589 ( -0.552 -1.711 -3.228) 3.695 1.627 ( 2.692 0.424 1.535) 3.128 1.677 ( -0.038 4.739 -1.285) 4.910 1.761 ( 1.130 0.123 0.631) 1.300 1.804 ( -0.467 -3.423 1.622) 3.817 1.918 ( -0.521 -2.773 -2.853) 4.013 1.965 ( -2.082 -1.659 1.923) 3.284 2.054 ( 0.854 0.220 -0.688) 1.119 2.113 ( -0.472 1.826 -1.182) 2.226 2.118 ( 1.269 2.481 -2.436) 3.701 2.169 ( -0.283 -0.143 0.807) 0.867 2.221 ( -0.519 -0.901 1.281) 1.650 2.247 ( -0.430 -1.412 -0.242) 1.496 2.356 ( 1.442 -0.481 0.029) 1.521 2.378 ( -0.075 -2.868 -0.268) 2.882 2.426 ( -0.122 -0.980 -1.800) 2.053 2.484 ( 0.683 1.731 2.022) 2.748 2.584 ( 0.021 -2.567 1.516) 2.981 2.621 ( 0.845 3.294 -1.455) 3.699 2.654 ( -1.868 0.870 0.203) 2.070 2.780 ( -3.211 0.517 -0.514) 3.292 3.042 ( 1.046 1.964 0.074) 2.226 3.105 ( 1.011 2.149 1.353) 2.733 3.137 ( -2.458 1.380 1.628) 3.255 3.164 ( 1.931 1.842 0.979) 2.843 3.233 ( 0.559 1.350 -3.391) 3.693 3.241 ( 1.392 0.383 -1.467) 2.058 3.285 ( 2.134 1.171 -0.974) 2.622 3.327 ( -0.107 -0.714 0.564) 0.916 3.386 ( 0.740 2.968 1.806) 3.552 3.452 ( -1.155 1.773 0.097) 2.118 3.472 ( -0.538 -1.391 2.751) 3.129 3.604 ( -1.661 -0.003 -2.066) 2.651 3.664 ( 3.084 -0.369 0.499) 3.146 3.676 ( 0.492 2.355 1.309) 2.739 3.743 ( -0.395 -0.868 -1.002) 1.383 3.797 ( -1.292 -0.843 -0.676) 1.684 3.816 ( -0.665 1.312 0.330) 1.507 3.857 ( -1.074 0.693 -0.451) 1.355 3.978 ( -0.339 0.865 0.229) 0.957 3.999 ( 1.714 1.243 -0.452) 2.165 4.157 ( -0.211 2.607 -1.166) 2.864 4.177 ( 1.294 0.758 1.213) 1.929 4.207 ( 2.632 -0.263 -0.823) 2.770 4.252 ( 1.769 -1.754 3.364) 4.186 4.292 ( -1.128 -0.508 -1.257) 1.763 4.354 ( -2.810 -0.875 -0.770) 3.042 4.431 ( 1.072 -1.098 -1.437) 2.102 4.459 ( -0.142 0.424 0.272) 0.524 4.492 ( -1.230 -1.649 1.868) 2.779 4.537 ( -1.066 -1.029 -0.704) 1.640 4.545 ( -0.268 -3.747 0.399) 3.778 4.605 ( -1.490 -2.551 0.765) 3.051 4.668 ( 2.059 -3.808 -1.814) 4.693 4.848 ( 0.747 -7.550 4.009) 8.581 5.022 ( 3.810 2.954 -1.967) 5.207 5.176 ( 3.646 -0.869 -0.754) 3.824 7.142 ( 0.098 0.573 0.190) 0.612 7.152 ( -0.002 0.366 -0.100) 0.380 8.777 ( 5.634 4.246 -0.514) 7.074 8.801 ( 8.595 5.285 -2.332) 10.356 9.553 ( -2.285 2.107 1.066) 3.286 9.689 ( -0.372 -2.916 -0.237) 2.949 9.881 ( -1.345 2.045 0.678) 2.540 9.967 ( -0.727 3.278 -1.343) 3.616 10.022 ( -5.604 -2.994 4.693) 7.899 10.078 ( -1.780 2.865 0.294) 3.385 10.127 ( -3.521 1.082 -0.827) 3.775 10.209 ( -1.144 -2.565 -1.518) 3.193 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( -1.938 7.173 4.234) 8.552 0.678 ( 0.911 -5.332 0.444) 5.427 0.740 ( -0.247 6.545 0.469) 6.567 0.774 ( -1.254 0.334 -0.325) 1.338 0.790 ( 1.046 3.401 -2.155) 4.160 0.830 ( -0.442 1.255 -1.756) 2.203 0.921 ( 2.116 0.913 2.010) 3.058 0.959 ( 0.221 1.093 -0.403) 1.186 0.965 ( 1.701 -1.624 -0.345) 2.377 1.029 ( -0.232 -0.617 1.760) 1.879 1.039 ( -1.420 -1.897 0.032) 2.369 1.089 ( -1.134 -4.347 0.392) 4.509 1.289 ( -0.381 -0.955 0.834) 1.323 1.308 ( 1.182 -1.604 -0.480) 2.050 1.368 ( 2.077 7.076 4.751) 8.772 1.497 ( 1.521 -4.782 -1.446) 5.223 1.670 ( -2.137 0.381 2.597) 3.385 1.679 ( -2.184 0.208 -1.277) 2.539 1.742 ( 0.080 -0.422 -1.896) 1.944 1.764 ( -0.099 -2.120 1.637) 2.681 1.872 ( 1.088 2.051 -2.696) 3.557 1.916 ( 0.403 -1.920 -1.770) 2.642 2.079 ( 0.035 1.479 0.054) 1.480 2.116 ( -0.347 -0.836 0.317) 0.959 2.141 ( -0.476 0.266 -2.032) 2.104 2.147 ( -0.474 -1.322 -2.616) 2.969 2.215 ( 0.493 1.129 0.511) 1.334 2.231 ( 0.078 -0.387 -0.431) 0.584 2.334 ( 0.026 -0.374 0.565) 0.678 2.348 ( -0.463 -1.539 -0.040) 1.608 2.445 ( 0.228 2.153 0.121) 2.168 2.493 ( -1.570 -2.661 -1.549) 3.457 2.571 ( 0.346 2.716 -0.194) 2.744 2.607 ( 0.518 -0.800 -1.547) 1.817 2.730 ( 0.048 2.339 0.318) 2.361 2.749 ( -0.589 0.421 -0.554) 0.912 3.103 ( 0.891 1.567 2.101) 2.768 3.130 ( -0.275 -1.020 2.994) 3.174 3.187 ( -0.144 3.471 -0.504) 3.510 3.205 ( -1.179 1.827 -0.150) 2.180 3.256 ( -0.684 -0.333 -1.176) 1.401 3.268 ( 0.297 -1.702 0.048) 1.729 3.289 ( 1.543 -0.155 -0.233) 1.569 3.308 ( 3.623 -1.187 -0.975) 3.935 3.441 ( -0.828 1.707 4.574) 4.952 3.468 ( -0.560 -1.034 4.476) 4.628 3.529 ( -0.397 3.928 -0.511) 3.981 3.578 ( -0.486 0.017 -2.268) 2.320 3.642 ( -2.298 -1.818 -4.005) 4.962 3.643 ( -1.177 -0.899 -4.158) 4.414 3.756 ( 2.209 1.024 1.858) 3.063 3.774 ( 1.483 -0.640 0.866) 1.833 3.844 ( -0.836 1.343 0.538) 1.671 3.854 ( -1.068 0.314 0.309) 1.156 4.002 ( -0.123 1.547 0.379) 1.598 4.031 ( 1.244 -1.324 -0.581) 1.908 4.193 ( 0.085 3.009 0.503) 3.052 4.221 ( -1.366 1.748 -0.554) 2.286 4.230 ( 0.907 0.436 0.522) 1.134 4.251 ( 0.180 -1.025 1.106) 1.519 4.290 ( 1.970 -0.616 2.381) 3.151 4.332 ( 0.449 -2.339 0.397) 2.415 4.383 ( -0.833 -0.763 -2.008) 2.303 4.417 ( -0.915 -2.436 -2.536) 3.633 4.460 ( 0.435 -0.577 0.425) 0.839 4.476 ( -0.932 -1.217 -0.187) 1.544 4.552 ( -0.594 -0.293 0.391) 0.769 4.573 ( 0.608 -1.573 -0.375) 1.728 4.685 ( 1.338 2.311 5.721) 6.313 4.761 ( -0.648 -5.002 5.015) 7.112 5.089 ( -0.322 3.012 -3.749) 4.819 5.146 ( -0.438 -2.899 -4.169) 5.097 7.156 ( -0.018 0.371 0.287) 0.469 7.158 ( 0.112 0.087 0.178) 0.227 8.882 ( -0.029 2.704 -1.307) 3.003 8.904 ( 0.113 0.359 -2.258) 2.289 9.603 ( 0.295 1.733 1.798) 2.514 9.640 ( 0.171 -2.114 -0.007) 2.121 9.913 ( -0.750 2.149 2.133) 3.119 9.943 ( -0.558 -0.991 2.819) 3.040 10.043 ( 0.057 3.793 -1.421) 4.051 10.097 ( 1.305 -0.488 -1.467) 2.023 10.109 ( -0.405 0.760 0.296) 0.910 10.130 ( -0.176 -2.144 -1.115) 2.424 ======================= Grid point 71 (39/60) ======================= q-point: ( 0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 2.508 6.753 4.347) 8.414 0.708 ( 2.160 -0.234 -0.864) 2.338 0.750 ( 1.682 2.153 -0.074) 2.733 0.782 ( 1.192 0.289 -0.513) 1.329 0.802 ( 2.047 0.426 -1.559) 2.608 0.835 ( 3.951 4.416 -0.429) 5.941 0.936 ( -0.338 1.970 -0.597) 2.086 0.945 ( -1.351 1.213 -0.394) 1.858 1.014 ( 0.627 -4.067 -3.570) 5.448 1.044 ( 0.982 1.851 0.731) 2.220 1.061 ( 4.549 -5.042 4.128) 7.947 1.103 ( 2.123 -3.256 1.374) 4.123 1.315 ( 2.058 -0.795 -0.180) 2.213 1.326 ( 1.938 -2.002 -0.722) 2.879 1.468 ( 1.508 3.646 1.870) 4.366 1.482 ( -0.947 1.301 -3.629) 3.970 1.630 ( -0.495 1.049 1.330) 1.765 1.660 ( 1.381 -1.948 1.535) 2.839 1.750 ( 0.448 3.305 1.349) 3.598 1.798 ( 1.290 -0.709 2.052) 2.525 1.891 ( 2.757 -0.548 -1.155) 3.039 1.908 ( 1.184 -1.185 -2.455) 2.972 2.060 ( -2.286 -0.483 0.025) 2.337 2.071 ( -1.939 -1.001 -1.749) 2.796 2.129 ( 0.719 0.025 -0.401) 0.824 2.134 ( -0.100 -0.772 -1.052) 1.309 2.224 ( 0.141 0.614 -0.106) 0.639 2.231 ( 0.175 -0.569 -0.046) 0.597 2.330 ( -0.552 -0.484 0.760) 1.057 2.338 ( -0.410 -1.140 0.051) 1.213 2.441 ( -1.684 1.043 -1.038) 2.237 2.471 ( 0.648 -1.945 1.963) 2.839 2.576 ( 0.312 3.211 -0.034) 3.226 2.617 ( 1.787 -0.833 -1.350) 2.389 2.717 ( -1.625 2.001 0.317) 2.597 2.742 ( -0.359 -0.495 -0.140) 0.628 3.119 ( -1.522 2.283 0.001) 2.744 3.142 ( -0.319 0.351 2.003) 2.058 3.174 ( -1.494 1.142 -0.299) 1.904 3.195 ( -1.671 1.847 -0.027) 2.491 3.206 ( -0.690 -1.390 -0.258) 1.573 3.238 ( -2.181 -1.759 -0.493) 2.844 3.328 ( 2.037 0.898 -2.209) 3.136 3.350 ( 0.985 -0.822 -1.102) 1.692 3.469 ( -0.652 2.938 3.568) 4.668 3.491 ( -1.260 0.676 3.381) 3.670 3.528 ( -0.841 0.043 0.972) 1.286 3.538 ( -2.762 -0.548 -1.832) 3.359 3.580 ( 0.949 -0.133 -0.442) 1.055 3.599 ( 0.493 -1.447 -1.850) 2.400 3.794 ( 0.600 0.802 -0.614) 1.175 3.798 ( 1.458 0.712 -1.504) 2.212 3.847 ( 1.030 0.959 0.193) 1.421 3.867 ( 1.611 -0.704 1.250) 2.157 3.996 ( -1.278 1.861 1.046) 2.488 4.034 ( -0.275 -2.079 -0.247) 2.112 4.198 ( -0.065 2.619 -0.262) 2.633 4.210 ( 0.389 3.096 0.861) 3.237 4.245 ( -0.160 1.907 -0.763) 2.060 4.254 ( 0.090 -1.147 1.130) 1.613 4.312 ( -1.499 -1.455 -1.315) 2.468 4.333 ( 0.307 -4.164 0.173) 4.179 4.368 ( -0.146 0.952 -0.965) 1.363 4.405 ( 1.800 -2.799 -0.432) 3.356 4.456 ( -0.927 -0.312 -0.382) 1.050 4.475 ( 0.412 -2.141 0.811) 2.326 4.537 ( -1.216 0.397 0.481) 1.367 4.580 ( 0.378 -3.619 -0.371) 3.657 4.735 ( -3.285 2.324 2.066) 4.524 4.769 ( -1.654 -1.302 3.341) 3.949 5.035 ( -2.495 0.153 -0.334) 2.522 5.063 ( -3.208 -2.629 -3.584) 5.482 7.156 ( -0.162 0.494 0.117) 0.533 7.161 ( -0.018 -0.008 0.027) 0.033 8.820 ( -5.283 2.647 -0.539) 5.934 8.834 ( -5.113 1.138 -1.191) 5.371 9.624 ( 0.201 0.300 0.841) 0.915 9.641 ( 0.256 -1.412 -0.391) 1.487 9.943 ( 1.412 3.227 2.428) 4.278 9.985 ( 2.126 -0.142 0.811) 2.280 10.039 ( 0.904 1.757 0.251) 1.992 10.098 ( 1.051 -3.401 -2.043) 4.104 10.142 ( 3.461 1.145 -0.208) 3.651 10.153 ( 2.745 0.123 -0.250) 2.759 ======================= Grid point 72 (40/60) ======================= q-point: ( 0.29 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 2.675 4.390 1.695) 5.413 0.736 ( 2.177 0.539 -0.870) 2.406 0.770 ( 1.387 2.648 1.012) 3.156 0.828 ( 0.676 0.169 -0.434) 0.821 0.847 ( 3.942 -2.389 -0.380) 4.625 0.867 ( -1.048 -3.627 -1.008) 3.908 0.916 ( 2.577 3.785 0.294) 4.588 0.959 ( 2.812 -0.961 -1.375) 3.274 1.040 ( 3.493 7.311 0.088) 8.103 1.078 ( 3.214 2.244 -0.428) 3.943 1.156 ( 2.258 -1.710 2.523) 3.793 1.207 ( 5.669 -4.523 4.519) 8.545 1.290 ( -2.107 4.069 -5.776) 7.372 1.358 ( 1.804 -2.840 -2.845) 4.407 1.402 ( 0.179 1.341 -2.688) 3.010 1.474 ( -0.414 -4.017 0.607) 4.084 1.684 ( 0.596 2.377 1.757) 3.015 1.717 ( -0.636 -0.572 2.352) 2.503 1.775 ( 2.498 4.158 -0.408) 4.868 1.841 ( 2.332 -1.018 -0.291) 2.561 1.903 ( 1.854 1.201 -1.610) 2.734 1.941 ( 0.911 -1.726 1.674) 2.571 2.033 ( 0.586 0.110 -0.033) 0.597 2.052 ( -0.485 -1.058 1.060) 1.575 2.117 ( -0.132 0.730 -0.502) 0.896 2.142 ( 0.987 -1.761 0.197) 2.028 2.222 ( -0.371 0.232 -0.472) 0.644 2.229 ( 0.125 -0.462 -0.346) 0.591 2.339 ( 0.308 -0.598 0.560) 0.875 2.340 ( 0.152 -0.996 0.655) 1.202 2.424 ( -0.032 3.560 0.760) 3.641 2.491 ( -0.707 -2.145 1.814) 2.897 2.584 ( 0.627 1.000 -0.029) 1.181 2.617 ( -0.544 0.101 -1.421) 1.526 2.680 ( -2.502 -0.055 -0.206) 2.511 2.721 ( -2.528 -2.999 0.739) 3.991 3.085 ( -1.135 2.808 -1.105) 3.224 3.108 ( -3.360 0.455 -1.652) 3.772 3.138 ( -3.051 -0.866 0.730) 3.254 3.145 ( -0.727 -1.772 0.325) 1.942 3.221 ( 0.913 1.833 0.911) 2.242 3.243 ( 1.339 -0.346 1.372) 1.948 3.301 ( -1.327 0.835 -2.662) 3.090 3.318 ( -1.875 -0.842 -2.169) 2.988 3.482 ( -1.536 3.818 -1.050) 4.247 3.490 ( 0.346 1.090 0.101) 1.148 3.503 ( -0.015 -0.868 0.302) 0.919 3.533 ( -0.860 -0.568 2.228) 2.456 3.591 ( 0.970 1.376 1.402) 2.191 3.631 ( 0.650 -3.250 2.459) 4.127 3.799 ( 1.875 0.891 -1.562) 2.598 3.813 ( 1.540 -0.094 -0.723) 1.703 3.869 ( 1.175 1.811 -0.130) 2.163 3.900 ( 1.077 -0.179 -0.173) 1.106 3.976 ( -1.821 1.862 0.540) 2.660 4.019 ( -1.524 -2.521 0.612) 3.009 4.198 ( 1.155 2.729 -2.224) 3.705 4.221 ( -0.529 3.566 -0.680) 3.668 4.227 ( 0.276 2.153 -1.662) 2.733 4.268 ( 1.752 -1.751 0.227) 2.487 4.292 ( -0.688 -1.420 -0.419) 1.633 4.325 ( -0.143 -3.410 -0.331) 3.429 4.360 ( -0.838 1.320 1.910) 2.468 4.414 ( -0.651 -3.800 -0.602) 3.902 4.432 ( -1.634 0.722 0.318) 1.814 4.477 ( -1.401 -3.640 0.852) 3.993 4.532 ( -0.024 0.898 0.654) 1.111 4.579 ( -0.003 -3.956 -0.356) 3.972 4.660 ( -2.732 4.060 -1.268) 5.055 4.746 ( -3.366 -4.859 0.629) 5.944 4.975 ( -2.810 1.292 -0.263) 3.104 5.014 ( -2.567 -2.853 1.752) 4.218 7.153 ( -0.069 0.471 -0.061) 0.480 7.158 ( -0.117 -0.028 -0.137) 0.182 8.712 ( -5.892 2.624 0.275) 6.456 8.723 ( -5.899 1.489 -0.174) 6.087 9.630 ( 0.515 -0.176 -0.318) 0.630 9.643 ( 0.231 -1.551 -0.118) 1.572 9.998 ( 1.962 4.182 1.532) 4.867 10.015 ( 1.994 3.885 -1.125) 4.510 10.085 ( 2.005 -3.098 1.795) 4.103 10.105 ( 1.688 -3.713 -1.576) 4.373 10.199 ( 2.544 0.823 -0.071) 2.675 10.203 ( 2.883 0.336 -0.209) 2.910 ======================= Grid point 73 (41/60) ======================= q-point: ( 0.43 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.728 2.373 0.436) 2.520 0.755 ( 0.452 0.105 -0.790) 0.917 0.819 ( 0.640 1.777 1.646) 2.505 0.841 ( 0.086 0.677 2.013) 2.125 0.848 ( 2.084 -0.004 0.513) 2.146 0.886 ( 0.557 -2.551 1.751) 3.144 0.979 ( 2.060 4.166 1.455) 4.870 1.024 ( 3.837 -1.289 -0.570) 4.088 1.057 ( -0.002 3.668 -1.094) 3.828 1.094 ( 0.259 3.718 -6.229) 7.259 1.192 ( -1.530 0.613 -4.288) 4.594 1.239 ( -0.550 1.743 2.284) 2.925 1.311 ( 2.178 -0.413 0.812) 2.361 1.354 ( 5.088 -2.849 1.236) 5.961 1.442 ( 2.420 1.366 1.637) 3.225 1.514 ( 0.854 -4.450 3.913) 5.987 1.646 ( -2.986 1.952 -2.174) 4.177 1.675 ( -3.346 -1.023 -0.627) 3.555 1.793 ( 0.824 3.548 -3.823) 5.280 1.856 ( 0.778 -1.393 -3.192) 3.569 1.934 ( 2.114 0.557 0.048) 2.187 1.962 ( -0.431 -0.902 1.224) 1.580 2.054 ( 0.062 0.941 1.660) 1.909 2.067 ( 1.210 -0.128 1.215) 1.720 2.133 ( 1.037 1.934 0.919) 2.379 2.171 ( 0.411 -0.736 0.895) 1.230 2.210 ( -0.593 1.769 0.419) 1.912 2.227 ( 0.751 -0.066 -0.854) 1.139 2.341 ( -0.058 -0.747 -0.613) 0.968 2.344 ( -0.100 -0.993 -0.506) 1.118 2.439 ( -0.229 2.537 0.701) 2.642 2.492 ( -0.492 -2.935 -0.357) 2.998 2.565 ( -0.779 1.865 -0.496) 2.081 2.609 ( 0.077 -2.901 -0.206) 2.910 2.638 ( -0.947 -1.769 0.188) 2.016 2.668 ( -2.986 -3.945 -0.298) 4.956 3.058 ( -0.444 2.090 -0.172) 2.143 3.070 ( -0.363 1.183 -0.318) 1.277 3.108 ( -0.771 -0.270 1.230) 1.477 3.142 ( -0.722 -2.846 1.053) 3.119 3.243 ( -0.412 1.348 0.101) 1.413 3.257 ( -0.148 0.616 -1.530) 1.656 3.278 ( 0.602 0.691 0.050) 0.918 3.290 ( 0.876 -0.939 1.164) 1.733 3.447 ( -0.528 2.809 -1.665) 3.308 3.474 ( -1.123 2.423 -2.058) 3.371 3.482 ( -0.306 -1.343 -2.844) 3.160 3.528 ( -1.260 -1.923 -0.025) 2.300 3.640 ( 0.256 1.304 4.553) 4.743 3.666 ( 0.027 -1.363 3.623) 3.871 3.822 ( 1.944 0.969 -1.359) 2.562 3.834 ( 1.250 0.414 -0.773) 1.526 3.887 ( 0.912 1.691 -0.045) 1.922 3.909 ( 0.488 0.562 -0.091) 0.750 3.950 ( -1.235 1.719 0.442) 2.163 3.997 ( -1.504 -2.884 0.828) 3.356 4.187 ( 0.888 1.824 -4.032) 4.514 4.192 ( 0.161 1.410 -2.634) 2.992 4.222 ( 0.243 3.070 -1.346) 3.361 4.265 ( 0.394 -0.513 -2.436) 2.521 4.312 ( 1.175 -0.754 1.643) 2.156 4.335 ( -0.953 -1.206 3.329) 3.667 4.375 ( 0.276 1.305 0.854) 1.584 4.384 ( -1.314 -1.235 -0.237) 1.819 4.425 ( -0.216 -3.277 2.651) 4.221 4.457 ( -1.152 -4.045 0.842) 4.289 4.533 ( -0.544 0.731 0.240) 0.943 4.575 ( 0.311 -3.106 -0.879) 3.243 4.633 ( -0.331 1.070 0.581) 1.262 4.694 ( -2.025 -4.975 -0.328) 5.382 4.940 ( -0.969 1.826 0.300) 2.089 4.982 ( -1.905 -2.519 0.005) 3.158 7.154 ( 0.095 0.318 -0.001) 0.332 7.156 ( -0.028 0.080 -0.067) 0.109 8.636 ( -2.580 2.404 0.434) 3.553 8.642 ( -2.445 1.745 0.051) 3.004 9.639 ( 0.642 -0.901 -0.210) 1.126 9.644 ( -0.115 -1.452 -0.067) 1.458 10.031 ( 0.949 4.977 0.156) 5.069 10.040 ( 0.771 4.644 0.099) 4.708 10.119 ( 0.584 -4.053 0.146) 4.097 10.122 ( 0.965 -3.745 -0.462) 3.895 10.230 ( 0.996 0.854 0.012) 1.312 10.237 ( 1.041 -0.096 -0.163) 1.058 ======================= Grid point 74 (42/60) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -1.920 1.752 1.017) 2.791 0.745 ( -0.503 0.503 -0.263) 0.759 0.825 ( -2.300 5.091 2.131) 5.979 0.861 ( 0.775 2.545 1.031) 2.853 0.883 ( 0.890 -0.273 0.711) 1.171 0.934 ( -0.691 0.601 1.431) 1.699 0.983 ( -2.464 5.882 -5.122) 8.179 1.012 ( -1.549 -0.684 4.254) 4.579 1.050 ( -0.534 0.819 1.003) 1.401 1.065 ( 0.657 -3.509 -1.230) 3.776 1.126 ( -1.950 -0.693 -4.332) 4.801 1.163 ( -2.543 -3.310 -3.806) 5.648 1.415 ( 1.909 1.450 2.091) 3.181 1.416 ( 0.132 1.609 0.719) 1.768 1.472 ( -3.963 2.481 3.134) 5.629 1.504 ( -2.201 -0.519 2.184) 3.144 1.617 ( 0.583 -0.270 -1.564) 1.691 1.645 ( 1.894 -3.697 0.081) 4.155 1.751 ( -0.426 4.691 -3.240) 5.717 1.810 ( -0.965 -1.056 -4.639) 4.854 1.946 ( -1.043 0.461 -0.160) 1.151 1.965 ( 0.318 -1.208 0.743) 1.453 2.077 ( -0.130 0.727 1.763) 1.911 2.088 ( -0.791 -0.436 1.520) 1.768 2.146 ( -0.105 2.246 0.985) 2.455 2.175 ( 0.336 0.451 0.610) 0.830 2.206 ( -0.443 1.290 0.020) 1.364 2.244 ( 0.760 -1.056 -0.292) 1.334 2.326 ( -0.496 -0.535 -0.566) 0.923 2.330 ( -0.463 -0.877 -0.588) 1.153 2.430 ( -0.548 0.497 0.986) 1.233 2.455 ( -0.852 -2.088 -1.292) 2.599 2.576 ( -0.978 0.533 -0.112) 1.119 2.610 ( 2.240 -3.251 -0.602) 3.993 2.630 ( 0.452 0.706 0.388) 0.924 2.681 ( 3.501 -3.960 -0.160) 5.288 3.060 ( 0.480 2.158 -0.326) 2.234 3.079 ( 1.434 0.318 -0.512) 1.556 3.129 ( 0.524 -0.003 1.659) 1.740 3.144 ( 0.955 -1.552 0.969) 2.064 3.228 ( -0.947 0.505 0.006) 1.074 3.238 ( -0.601 -0.333 -0.522) 0.862 3.303 ( 1.009 2.040 0.832) 2.423 3.329 ( 1.913 -0.413 0.328) 1.984 3.419 ( -0.672 1.568 -2.387) 2.934 3.435 ( 0.074 -0.145 -2.240) 2.246 3.470 ( 1.119 0.465 0.486) 1.305 3.494 ( -0.585 -1.255 -2.236) 2.630 3.670 ( -1.529 1.232 3.580) 4.083 3.693 ( -1.475 -0.888 3.583) 3.975 3.831 ( -0.377 1.505 -0.905) 1.796 3.838 ( 0.984 0.662 -0.744) 1.400 3.894 ( -0.285 1.855 -0.305) 1.902 3.912 ( -0.179 0.097 -1.473) 1.487 3.949 ( -0.361 1.339 2.668) 3.007 3.985 ( -0.562 -2.333 0.144) 2.404 4.163 ( 1.238 1.825 -3.483) 4.122 4.173 ( 1.214 0.471 -3.270) 3.520 4.212 ( -0.228 1.632 -0.636) 1.766 4.248 ( -0.186 -1.053 -2.287) 2.525 4.320 ( -1.430 1.159 2.743) 3.304 4.360 ( -0.417 -3.948 0.871) 4.065 4.382 ( 1.449 2.436 1.604) 3.256 4.404 ( 2.123 1.909 0.259) 2.866 4.448 ( 0.020 -4.025 0.768) 4.097 4.469 ( 0.622 -3.619 1.478) 3.958 4.525 ( -0.476 0.654 0.700) 1.070 4.573 ( 0.672 -3.484 -1.185) 3.740 4.648 ( 0.553 -1.049 1.646) 2.029 4.666 ( -0.530 -2.744 -1.381) 3.117 4.957 ( 1.793 -0.211 0.681) 1.930 4.962 ( 1.295 -0.980 -0.389) 1.670 7.154 ( -0.082 0.348 -0.006) 0.358 7.157 ( 0.119 0.064 -0.062) 0.149 8.638 ( 2.448 2.656 0.376) 3.632 8.648 ( 2.950 1.500 0.113) 3.312 9.636 ( -0.685 -0.622 -0.182) 0.943 9.646 ( 0.234 -1.691 -0.098) 1.710 10.017 ( -2.360 4.325 0.150) 4.929 10.055 ( 0.598 4.830 0.139) 4.868 10.097 ( -2.691 -3.871 -0.159) 4.718 10.133 ( 0.311 -3.039 -0.194) 3.061 10.233 ( -0.828 0.591 0.034) 1.018 10.238 ( -0.704 -0.273 -0.181) 0.776 ======================= Grid point 75 (43/60) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -5.099 2.708 1.857) 6.065 0.724 ( -2.058 -1.565 -0.230) 2.596 0.792 ( -3.053 5.105 1.648) 6.172 0.839 ( -2.937 -0.440 0.299) 2.985 0.872 ( -2.236 3.956 -3.269) 5.598 0.912 ( -1.917 2.563 0.318) 3.216 0.935 ( 0.720 4.331 1.358) 4.595 0.960 ( -3.029 -0.807 -4.928) 5.841 1.029 ( -1.909 -2.830 3.389) 4.810 1.044 ( -2.154 0.174 -3.276) 3.924 1.086 ( -1.532 -0.435 1.159) 1.970 1.149 ( 0.021 -6.071 4.495) 7.554 1.328 ( -4.806 1.700 -3.501) 6.185 1.365 ( -4.218 -0.495 -2.965) 5.179 1.432 ( -2.588 5.674 -2.736) 6.810 1.531 ( 0.299 -3.180 1.743) 3.638 1.621 ( 0.348 2.110 1.058) 2.386 1.678 ( -0.048 -3.286 2.118) 3.910 1.740 ( 0.140 0.851 0.976) 1.303 1.759 ( -0.356 0.180 -1.166) 1.232 1.928 ( -0.581 1.080 -0.797) 1.463 1.962 ( -1.526 -1.512 1.030) 2.382 2.076 ( -0.453 1.151 0.103) 1.241 2.105 ( 2.006 -0.803 0.569) 2.234 2.151 ( -0.765 -0.095 -0.801) 1.112 2.171 ( -0.485 -2.003 0.464) 2.113 2.207 ( 0.207 2.200 -0.208) 2.220 2.237 ( -0.316 -0.744 -0.590) 1.001 2.326 ( 0.367 -0.405 0.950) 1.096 2.333 ( 0.525 -1.229 0.464) 1.415 2.445 ( 0.110 0.322 0.117) 0.360 2.457 ( 0.990 -0.586 2.801) 3.028 2.560 ( 0.059 2.953 -0.485) 2.994 2.631 ( 1.075 -3.752 -1.625) 4.228 2.667 ( 2.593 3.729 0.443) 4.564 2.745 ( 2.834 -4.007 0.439) 4.928 3.065 ( 0.522 1.796 -0.502) 1.936 3.090 ( 0.900 -0.732 -1.014) 1.541 3.152 ( 1.447 1.916 -0.339) 2.425 3.193 ( 2.272 -1.730 0.583) 2.915 3.212 ( -0.904 1.442 0.742) 1.857 3.240 ( 0.590 -1.208 1.122) 1.751 3.302 ( 0.147 2.123 -3.149) 3.801 3.332 ( 0.171 -0.772 -2.853) 2.961 3.414 ( 0.467 1.720 0.743) 1.931 3.434 ( 0.360 -0.989 0.398) 1.125 3.482 ( 1.308 2.052 -0.268) 2.448 3.532 ( 3.354 -2.424 2.819) 5.008 3.664 ( -2.269 1.136 2.381) 3.480 3.684 ( -2.017 -0.858 1.817) 2.847 3.806 ( -0.833 2.647 -2.616) 3.814 3.835 ( -0.702 -0.079 -1.712) 1.852 3.864 ( -1.737 1.632 -0.205) 2.392 3.884 ( -1.247 -0.140 0.063) 1.257 3.978 ( 0.324 -0.490 0.393) 0.707 3.979 ( 0.262 -0.491 1.481) 1.582 4.170 ( 2.096 1.697 -1.380) 3.029 4.177 ( 2.102 0.173 -1.884) 2.828 4.207 ( -0.034 0.502 0.390) 0.636 4.219 ( -0.546 0.654 -0.996) 1.311 4.330 ( -0.893 0.132 -0.130) 0.912 4.343 ( -0.555 -1.861 -0.327) 1.969 4.407 ( 0.543 0.908 0.351) 1.114 4.448 ( 0.474 -1.690 -0.631) 1.865 4.454 ( 1.184 -1.447 1.153) 2.197 4.484 ( -0.285 -1.291 1.108) 1.725 4.531 ( 0.010 0.428 0.877) 0.976 4.577 ( 0.850 -3.649 -0.871) 3.847 4.637 ( -0.533 0.220 -2.221) 2.294 4.679 ( 0.831 -4.218 1.608) 4.590 5.001 ( 4.233 2.215 0.273) 4.785 5.048 ( 5.488 -2.563 1.130) 6.161 7.152 ( -0.074 0.469 -0.063) 0.479 7.157 ( 0.022 -0.046 -0.135) 0.145 8.726 ( 6.543 2.721 0.293) 7.092 8.738 ( 6.608 1.312 -0.190) 6.740 9.616 ( -1.219 0.876 -0.294) 1.530 9.644 ( -0.197 -2.230 -0.155) 2.244 9.966 ( -3.246 3.413 0.400) 4.727 10.030 ( -4.468 -3.309 0.707) 5.605 10.059 ( -0.192 4.402 -0.231) 4.412 10.126 ( -0.834 -2.000 -0.242) 2.180 10.204 ( -2.427 0.380 -0.114) 2.460 10.208 ( -2.296 -0.635 -0.164) 2.388 ======================= Grid point 76 (44/60) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -6.396 5.021 3.186) 8.733 0.680 ( -1.582 -3.380 -0.168) 3.736 0.762 ( -2.588 4.643 0.935) 5.397 0.792 ( -1.565 0.892 0.241) 1.817 0.828 ( -0.380 -0.901 0.168) 0.992 0.839 ( -2.043 -1.065 -2.967) 3.756 0.915 ( -1.772 6.170 0.035) 6.419 0.961 ( 0.960 1.434 -1.861) 2.538 0.972 ( -0.434 1.463 -2.501) 2.930 1.026 ( -1.725 -3.225 1.615) 3.998 1.071 ( -3.045 0.821 2.984) 4.341 1.134 ( -4.774 -5.597 1.426) 7.493 1.260 ( 0.596 2.200 -0.167) 2.285 1.311 ( 0.730 -2.222 0.476) 2.387 1.352 ( -2.910 6.843 -1.975) 7.694 1.514 ( -0.454 -6.725 -3.036) 7.393 1.647 ( 0.018 2.004 3.069) 3.666 1.697 ( -1.429 -2.684 4.176) 5.166 1.752 ( 0.571 -0.290 -0.553) 0.846 1.768 ( 0.298 -0.917 0.087) 0.968 1.900 ( -0.946 1.423 -2.100) 2.707 1.936 ( -1.346 -1.811 -0.466) 2.304 2.075 ( 0.417 2.310 -0.679) 2.444 2.120 ( -0.539 -1.261 -0.238) 1.392 2.147 ( 1.619 0.932 -1.736) 2.551 2.168 ( 0.501 -0.704 -0.601) 1.052 2.210 ( -0.128 0.445 0.074) 0.469 2.231 ( 0.213 -1.026 -0.236) 1.075 2.330 ( -0.428 -0.164 0.127) 0.476 2.349 ( 0.286 -1.478 0.554) 1.604 2.448 ( 0.055 2.978 -0.200) 2.986 2.502 ( 0.868 -1.874 1.346) 2.466 2.567 ( 0.479 2.309 -0.010) 2.358 2.620 ( -0.147 -2.390 -1.389) 2.769 2.712 ( 1.670 3.927 0.209) 4.273 2.769 ( -0.459 -1.882 -0.125) 1.941 3.074 ( 0.634 1.635 0.614) 1.859 3.104 ( 0.406 -1.402 1.457) 2.063 3.176 ( 1.804 2.520 -0.442) 3.130 3.216 ( -0.513 2.504 1.153) 2.804 3.223 ( 2.477 -1.343 -0.925) 2.966 3.267 ( 0.242 0.015 -0.099) 0.262 3.276 ( 1.314 -0.139 -2.045) 2.435 3.307 ( 0.004 -1.495 -2.315) 2.755 3.421 ( -0.984 1.287 2.271) 2.790 3.444 ( -0.642 -1.251 2.620) 2.973 3.523 ( 1.611 4.758 0.469) 5.045 3.598 ( 0.850 -2.191 -0.329) 2.373 3.658 ( 1.148 0.403 0.221) 1.237 3.683 ( 0.564 -1.819 0.130) 1.909 3.744 ( -2.286 2.195 -2.062) 3.781 3.783 ( -2.205 -1.368 -1.524) 3.009 3.851 ( -0.648 2.100 0.838) 2.352 3.872 ( -1.259 0.286 0.964) 1.611 3.989 ( 1.387 0.633 -0.514) 1.609 4.006 ( 0.889 -0.671 1.101) 1.566 4.193 ( 0.517 1.531 -1.012) 1.907 4.204 ( 1.984 0.713 0.618) 2.197 4.207 ( 1.086 0.522 0.240) 1.229 4.241 ( 1.219 -0.085 2.444) 2.732 4.275 ( -2.211 0.670 -2.304) 3.263 4.335 ( -0.786 -2.527 -0.211) 2.655 4.414 ( -0.394 -0.009 -0.660) 0.769 4.441 ( 0.222 -2.497 -0.743) 2.614 4.464 ( -0.461 -0.132 -0.900) 1.019 4.486 ( -0.773 -1.929 1.367) 2.487 4.542 ( 0.731 1.248 0.338) 1.485 4.577 ( -0.336 -1.910 -0.345) 1.969 4.627 ( 0.873 1.607 0.917) 2.046 4.714 ( 0.374 -6.557 3.592) 7.486 5.082 ( 4.149 3.399 -1.502) 5.570 5.141 ( 4.031 -2.716 -1.306) 5.033 7.152 ( 0.090 0.429 0.119) 0.455 7.156 ( 0.011 -0.008 0.020) 0.024 8.842 ( 5.438 2.407 -0.746) 5.994 8.857 ( 6.474 0.926 -1.089) 6.630 9.595 ( -0.917 2.303 0.605) 2.551 9.639 ( -0.170 -2.498 -0.048) 2.504 9.923 ( -2.283 2.316 1.311) 3.506 9.963 ( -4.021 -2.026 1.971) 4.915 10.052 ( 0.015 3.875 -0.778) 3.952 10.105 ( -0.710 -0.824 -0.690) 1.288 10.145 ( -3.247 0.816 -0.291) 3.361 10.164 ( -2.132 -1.712 -0.532) 2.786 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -6.340 0.000 -8.326) 10.466 0.448 ( 6.340 0.000 8.326) 10.466 0.499 ( 1.030 0.000 -9.069) 9.127 0.499 ( -1.030 0.000 9.069) 9.127 0.812 ( -1.281 0.000 -4.060) 4.257 0.812 ( 1.281 0.000 4.060) 4.257 0.861 ( -1.269 0.000 -11.879) 11.946 0.861 ( 1.269 0.000 11.879) 11.946 0.988 ( 0.717 0.000 -8.623) 8.653 0.988 ( -0.717 0.000 8.623) 8.653 1.117 ( -0.413 0.000 -1.737) 1.786 1.117 ( 0.413 0.000 1.737) 1.786 1.334 ( 0.619 0.000 -8.223) 8.246 1.334 ( -0.619 0.000 8.223) 8.246 1.589 ( -1.742 0.000 -1.398) 2.233 1.589 ( 1.742 0.000 1.398) 2.233 1.643 ( 0.939 0.000 -0.368) 1.009 1.643 ( -0.939 0.000 0.368) 1.009 1.816 ( -3.978 0.000 -5.716) 6.964 1.816 ( 3.978 0.000 5.716) 6.964 1.961 ( -1.494 0.000 -0.663) 1.635 1.961 ( 1.494 0.000 0.663) 1.635 2.032 ( -2.184 0.000 -3.327) 3.980 2.032 ( 2.184 0.000 3.327) 3.980 2.194 ( -0.541 0.000 -1.792) 1.872 2.194 ( 0.541 0.000 1.792) 1.872 2.266 ( -3.717 0.000 0.996) 3.848 2.266 ( 3.717 0.000 -0.996) 3.848 2.364 ( -1.349 0.000 -1.839) 2.281 2.364 ( 1.349 0.000 1.839) 2.281 2.456 ( -1.812 0.000 -1.489) 2.345 2.456 ( 1.812 0.000 1.489) 2.345 2.566 ( -4.178 0.000 -0.284) 4.188 2.566 ( 4.178 0.000 0.284) 4.188 2.593 ( -2.018 0.000 -0.572) 2.098 2.593 ( 2.018 0.000 0.572) 2.098 2.980 ( 0.030 0.000 -0.038) 0.048 2.980 ( -0.030 0.000 0.038) 0.048 3.143 ( -0.669 0.000 -0.077) 0.674 3.143 ( 0.669 0.000 0.077) 0.674 3.241 ( -4.145 0.000 -2.185) 4.686 3.241 ( 4.145 0.000 2.185) 4.686 3.307 ( 0.251 0.000 -2.100) 2.115 3.307 ( -0.251 0.000 2.100) 2.115 3.375 ( -0.160 0.000 -1.352) 1.361 3.375 ( 0.160 0.000 1.352) 1.361 3.486 ( -0.245 0.000 -1.140) 1.166 3.486 ( 0.245 0.000 1.140) 1.166 3.694 ( 1.495 0.000 -1.758) 2.308 3.694 ( -1.495 0.000 1.758) 2.308 3.763 ( 0.331 0.000 -2.251) 2.276 3.763 ( -0.331 0.000 2.251) 2.276 3.857 ( -0.049 0.000 -4.629) 4.629 3.857 ( 0.049 0.000 4.629) 4.629 3.988 ( 1.580 0.000 -1.141) 1.949 3.988 ( -1.580 0.000 1.141) 1.949 4.120 ( -1.601 0.000 -2.850) 3.269 4.120 ( 1.601 0.000 2.850) 3.269 4.255 ( -2.129 0.000 -0.868) 2.300 4.255 ( 2.129 0.000 0.868) 2.300 4.335 ( -4.092 0.000 0.036) 4.092 4.335 ( 4.092 0.000 -0.036) 4.092 4.404 ( 1.510 0.000 -1.825) 2.369 4.404 ( -1.510 0.000 1.825) 2.369 4.576 ( -1.838 0.000 0.590) 1.931 4.576 ( 1.838 0.000 -0.590) 1.931 4.674 ( -0.400 0.000 -2.027) 2.066 4.674 ( 0.400 0.000 2.027) 2.066 4.840 ( -1.434 0.000 -1.572) 2.128 4.840 ( 1.434 0.000 1.572) 2.128 5.204 ( 4.937 0.000 -3.802) 6.232 5.204 ( -4.937 0.000 3.802) 6.232 7.135 ( 0.199 0.000 -0.380) 0.429 7.135 ( -0.199 0.000 0.380) 0.429 8.634 ( 1.593 0.000 -7.414) 7.583 8.634 ( -1.593 0.000 7.414) 7.583 9.679 ( -5.998 0.000 -2.085) 6.350 9.679 ( 5.998 0.000 2.085) 6.350 9.908 ( 0.330 0.000 -3.018) 3.037 9.908 ( -0.330 0.000 3.018) 3.037 10.010 ( -0.323 0.000 -3.351) 3.367 10.010 ( 0.323 0.000 3.351) 3.367 10.162 ( 6.478 0.000 -3.599) 7.410 10.162 ( -6.478 0.000 3.599) 7.410 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 2.333 0.000 -9.908) 10.179 0.415 ( 6.317 0.000 -12.134) 13.680 0.605 ( 0.848 0.000 10.634) 10.667 0.684 ( 6.955 0.000 8.889) 11.287 0.774 ( -0.545 0.000 -0.315) 0.630 0.785 ( 5.723 0.000 -9.609) 11.184 0.879 ( 3.804 0.000 -0.616) 3.854 0.895 ( -1.433 0.000 -4.383) 4.611 0.943 ( 0.369 0.000 -1.892) 1.928 1.089 ( -1.641 0.000 7.036) 7.224 1.122 ( 3.279 0.000 -3.205) 4.585 1.211 ( 6.240 0.000 7.414) 9.691 1.260 ( -0.250 0.000 -7.283) 7.288 1.386 ( -2.147 0.000 5.947) 6.322 1.532 ( -3.409 0.000 0.961) 3.542 1.574 ( -6.459 0.000 -1.287) 6.586 1.617 ( -0.106 0.000 1.433) 1.437 1.669 ( 2.468 0.000 -0.653) 2.553 1.722 ( 0.460 0.000 -4.027) 4.053 1.901 ( 0.319 0.000 2.223) 2.245 1.926 ( -1.837 0.000 0.920) 2.054 1.945 ( -1.215 0.000 -2.111) 2.435 1.987 ( -0.827 0.000 0.410) 0.923 2.072 ( -0.354 0.000 1.350) 1.395 2.159 ( -0.975 0.000 -1.373) 1.684 2.190 ( -1.829 0.000 0.622) 1.932 2.216 ( -3.291 0.000 0.513) 3.331 2.281 ( -4.440 0.000 0.153) 4.443 2.373 ( 0.061 0.000 -0.610) 0.613 2.445 ( 4.241 0.000 2.566) 4.956 2.458 ( 3.882 0.000 1.304) 4.095 2.514 ( 3.889 0.000 -0.437) 3.914 2.553 ( 3.192 0.000 3.037) 4.406 2.568 ( 1.075 0.000 -0.661) 1.261 2.671 ( 5.411 0.000 0.487) 5.433 2.688 ( 4.976 0.000 3.173) 5.902 2.990 ( 0.795 0.000 -0.113) 0.803 2.996 ( 1.629 0.000 0.166) 1.638 3.144 ( -0.390 0.000 1.434) 1.486 3.159 ( -2.661 0.000 0.121) 2.664 3.162 ( 0.026 0.000 1.562) 1.562 3.249 ( -1.985 0.000 -4.704) 5.106 3.258 ( -3.240 0.000 -2.512) 4.100 3.314 ( 0.731 0.000 0.272) 0.780 3.359 ( -1.130 0.000 -1.509) 1.885 3.396 ( -0.867 0.000 2.295) 2.453 3.475 ( -2.639 0.000 1.061) 2.844 3.510 ( 3.009 0.000 3.457) 4.584 3.647 ( -2.080 0.000 -0.554) 2.153 3.663 ( -1.475 0.000 -1.540) 2.133 3.778 ( 0.753 0.000 -0.214) 0.783 3.795 ( -0.192 0.000 1.952) 1.961 3.807 ( 0.023 0.000 -1.776) 1.776 3.835 ( -1.775 0.000 -1.568) 2.368 4.019 ( 3.556 0.000 -4.479) 5.719 4.028 ( 2.680 0.000 0.990) 2.857 4.101 ( 1.456 0.000 -1.396) 2.017 4.183 ( 0.152 0.000 0.911) 0.924 4.236 ( -4.279 0.000 -1.929) 4.694 4.271 ( -2.564 0.000 7.094) 7.543 4.303 ( -0.506 0.000 -1.255) 1.353 4.325 ( 0.256 0.000 5.413) 5.419 4.387 ( -0.166 0.000 1.190) 1.201 4.423 ( 2.286 0.000 -2.467) 3.364 4.568 ( 0.036 0.000 -1.904) 1.905 4.607 ( 1.912 0.000 -1.688) 2.551 4.661 ( 2.110 0.000 -1.472) 2.572 4.696 ( -0.116 0.000 1.739) 1.743 4.799 ( -1.520 0.000 -0.678) 1.664 4.859 ( -1.236 0.000 0.376) 1.292 5.096 ( -6.770 0.000 0.135) 6.771 5.187 ( -1.036 0.000 -5.035) 5.140 7.135 ( 0.158 0.000 -0.354) 0.388 7.135 ( -0.185 0.000 0.344) 0.391 8.544 ( -2.890 0.000 -6.273) 6.907 8.618 ( -6.168 0.000 4.563) 7.672 9.582 ( 1.127 0.000 -5.423) 5.539 9.792 ( 5.815 0.000 -1.302) 5.959 9.866 ( -0.225 0.000 -2.676) 2.686 9.881 ( -4.702 0.000 3.410) 5.808 9.985 ( 1.763 0.000 -3.209) 3.662 10.058 ( 1.822 0.000 2.283) 2.921 10.187 ( 1.503 0.000 5.340) 5.547 10.297 ( 5.104 0.000 2.301) 5.598 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 10.008 0.000 -1.336) 10.097 0.516 ( 12.073 0.000 -4.139) 12.763 0.702 ( -0.928 0.000 -0.112) 0.935 0.743 ( -1.405 0.000 -1.720) 2.221 0.769 ( 1.692 0.000 3.438) 3.832 0.850 ( 0.155 0.000 2.947) 2.951 0.892 ( 3.106 0.000 2.779) 4.167 0.951 ( 1.925 0.000 5.489) 5.817 0.997 ( 10.975 0.000 -7.118) 13.082 1.088 ( -3.324 0.000 3.850) 5.087 1.124 ( 1.854 0.000 -7.614) 7.837 1.171 ( -0.597 0.000 -5.165) 5.199 1.322 ( 1.779 0.000 -4.125) 4.492 1.369 ( -4.492 0.000 2.751) 5.268 1.472 ( -2.955 0.000 -1.000) 3.120 1.500 ( -2.256 0.000 1.469) 2.692 1.644 ( -0.240 0.000 4.678) 4.684 1.695 ( 2.051 0.000 -1.343) 2.451 1.705 ( 1.324 0.000 -2.334) 2.684 1.869 ( -1.097 0.000 -3.796) 3.952 1.934 ( -0.137 0.000 4.256) 4.258 1.959 ( 0.989 0.000 3.337) 3.481 2.009 ( -0.317 0.000 5.318) 5.328 2.071 ( -0.181 0.000 0.166) 0.245 2.125 ( -0.880 0.000 -2.277) 2.441 2.144 ( -5.485 0.000 -0.746) 5.536 2.164 ( -2.896 0.000 0.907) 3.035 2.176 ( -3.949 0.000 1.212) 4.131 2.359 ( -0.541 0.000 0.597) 0.806 2.501 ( 0.182 0.000 -0.611) 0.638 2.503 ( 0.558 0.000 1.130) 1.260 2.570 ( 2.273 0.000 -2.553) 3.419 2.615 ( 3.413 0.000 2.166) 4.042 2.665 ( 4.666 0.000 -0.556) 4.699 2.777 ( 4.123 0.000 -1.739) 4.475 2.781 ( 3.751 0.000 2.654) 4.595 2.992 ( 0.139 0.000 -1.140) 1.149 3.020 ( 0.298 0.000 0.204) 0.361 3.114 ( -1.978 0.000 0.260) 1.995 3.157 ( 0.010 0.000 -2.328) 2.328 3.164 ( -1.498 0.000 -2.459) 2.880 3.199 ( -1.508 0.000 0.967) 1.791 3.207 ( 2.210 0.000 4.549) 5.058 3.276 ( -1.432 0.000 -2.912) 3.245 3.330 ( -0.388 0.000 -0.021) 0.388 3.425 ( -0.001 0.000 2.117) 2.117 3.436 ( -2.186 0.000 0.742) 2.308 3.579 ( 0.681 0.000 1.368) 1.528 3.619 ( -1.903 0.000 -1.125) 2.211 3.632 ( -0.240 0.000 2.117) 2.131 3.781 ( 0.226 0.000 -1.779) 1.793 3.782 ( -0.114 0.000 0.257) 0.281 3.805 ( 0.544 0.000 -0.869) 1.025 3.843 ( 1.018 0.000 2.226) 2.448 4.022 ( 2.503 0.000 -5.455) 6.002 4.050 ( -0.102 0.000 -3.538) 3.540 4.114 ( 1.113 0.000 -1.819) 2.132 4.158 ( -1.250 0.000 -0.085) 1.253 4.179 ( 0.678 0.000 -2.071) 2.179 4.191 ( -2.854 0.000 1.574) 3.259 4.313 ( -3.060 0.000 2.025) 3.669 4.389 ( -2.467 0.000 -2.235) 3.329 4.431 ( 0.834 0.000 7.843) 7.887 4.476 ( 3.146 0.000 5.645) 6.463 4.562 ( 3.983 0.000 -3.235) 5.131 4.605 ( 0.141 0.000 -1.255) 1.263 4.698 ( 2.347 0.000 -1.370) 2.718 4.700 ( -1.399 0.000 1.609) 2.133 4.782 ( 0.073 0.000 -0.056) 0.092 4.818 ( -1.460 0.000 -1.105) 1.831 5.030 ( -3.825 0.000 3.413) 5.126 5.094 ( -3.082 0.000 -4.949) 5.831 7.135 ( 0.212 0.000 -0.259) 0.335 7.136 ( -0.058 0.000 0.263) 0.269 8.440 ( -2.522 0.000 -3.500) 4.314 8.539 ( -6.771 0.000 3.174) 7.478 9.616 ( 5.970 0.000 -2.670) 6.540 9.828 ( -2.645 0.000 1.389) 2.988 9.867 ( 1.361 0.000 0.545) 1.466 9.875 ( 3.090 0.000 -0.552) 3.139 10.011 ( 3.387 0.000 -1.390) 3.661 10.101 ( 0.814 0.000 1.007) 1.295 10.261 ( 1.554 0.000 2.933) 3.319 10.337 ( 0.200 0.000 -1.637) 1.650 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 6.210 0.000 1.550) 6.400 0.603 ( -1.145 0.000 -1.537) 1.917 0.678 ( 3.403 0.000 -0.174) 3.408 0.769 ( 2.442 0.000 -2.467) 3.471 0.866 ( 1.947 0.000 4.472) 4.877 0.879 ( 1.445 0.000 1.389) 2.005 0.927 ( 1.629 0.000 6.038) 6.254 0.949 ( -2.591 0.000 -5.379) 5.971 1.049 ( -7.232 0.000 5.384) 9.016 1.066 ( -0.379 0.000 -7.668) 7.677 1.127 ( 6.476 0.000 6.404) 9.108 1.237 ( 6.607 0.000 -3.494) 7.474 1.262 ( 2.724 0.000 -9.031) 9.433 1.281 ( -5.907 0.000 -1.781) 6.170 1.419 ( -1.165 0.000 -0.478) 1.259 1.454 ( -4.386 0.000 1.714) 4.709 1.676 ( 0.023 0.000 3.940) 3.940 1.714 ( 0.780 0.000 -2.234) 2.366 1.761 ( 3.013 0.000 2.559) 3.953 1.814 ( -0.503 0.000 -3.410) 3.446 1.984 ( 0.115 0.000 3.706) 3.707 1.993 ( -0.396 0.000 0.411) 0.571 2.035 ( -1.882 0.000 3.658) 4.114 2.037 ( -2.589 0.000 -1.245) 2.873 2.074 ( 0.089 0.000 0.317) 0.329 2.089 ( -0.456 0.000 -2.232) 2.279 2.151 ( 0.126 0.000 0.837) 0.847 2.157 ( -0.758 0.000 1.074) 1.315 2.380 ( 1.170 0.000 2.906) 3.133 2.454 ( -2.688 0.000 -3.324) 4.275 2.518 ( 0.225 0.000 1.139) 1.161 2.545 ( 0.032 0.000 -3.906) 3.906 2.688 ( 0.729 0.000 3.511) 3.586 2.706 ( 2.473 0.000 -3.372) 4.182 2.815 ( 2.943 0.000 -2.547) 3.892 2.829 ( -0.688 0.000 1.933) 2.051 2.992 ( 1.573 0.000 -1.309) 2.047 3.012 ( -1.471 0.000 0.809) 1.679 3.107 ( 0.365 0.000 0.718) 0.805 3.129 ( -1.051 0.000 -1.035) 1.475 3.154 ( 0.209 0.000 2.878) 2.886 3.199 ( -0.212 0.000 -1.987) 1.998 3.237 ( 0.988 0.000 -1.371) 1.690 3.260 ( -0.975 0.000 1.317) 1.639 3.357 ( 2.739 0.000 0.885) 2.878 3.412 ( -2.845 0.000 0.798) 2.955 3.438 ( 1.172 0.000 2.739) 2.979 3.520 ( -2.490 0.000 -5.144) 5.715 3.644 ( 1.705 0.000 2.879) 3.346 3.672 ( 0.536 0.000 2.242) 2.305 3.759 ( -0.561 0.000 -1.304) 1.420 3.769 ( 0.156 0.000 -2.047) 2.053 3.828 ( 1.094 0.000 2.068) 2.340 3.867 ( -1.026 0.000 0.469) 1.128 3.994 ( -1.103 0.000 -1.166) 1.605 4.001 ( 0.751 0.000 -4.016) 4.085 4.121 ( 2.202 0.000 -1.945) 2.938 4.148 ( -2.655 0.000 2.042) 3.349 4.186 ( 0.309 0.000 1.206) 1.245 4.189 ( 1.250 0.000 -1.161) 1.706 4.293 ( -0.823 0.000 1.157) 1.420 4.315 ( -1.897 0.000 -1.961) 2.728 4.499 ( 0.465 0.000 3.980) 4.007 4.534 ( -0.144 0.000 -0.907) 0.918 4.624 ( 4.465 0.000 -1.428) 4.688 4.633 ( 1.480 0.000 4.765) 4.990 4.677 ( -3.029 0.000 1.609) 3.429 4.697 ( 0.225 0.000 -4.036) 4.042 4.792 ( 0.828 0.000 -0.118) 0.836 4.799 ( -0.285 0.000 0.050) 0.289 4.996 ( -3.937 0.000 4.401) 5.905 5.007 ( -0.465 0.000 -4.691) 4.714 7.137 ( 0.198 0.000 -0.166) 0.259 7.137 ( -0.071 0.000 0.160) 0.175 8.401 ( 1.248 0.000 -1.578) 2.012 8.449 ( -5.423 0.000 1.669) 5.674 9.705 ( 5.597 0.000 -1.250) 5.735 9.780 ( -4.206 0.000 1.406) 4.435 9.903 ( 0.224 0.000 2.558) 2.568 9.911 ( 2.185 0.000 -2.293) 3.167 10.065 ( 2.979 0.000 -0.005) 2.979 10.103 ( -1.164 0.000 0.045) 1.165 10.298 ( -0.004 0.000 2.077) 2.077 10.316 ( 0.462 0.000 -2.830) 2.867 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -2.524 3.191 -9.215) 10.074 0.443 ( 2.524 3.191 9.215) 10.074 0.566 ( 3.676 3.786 -11.710) 12.845 0.566 ( -3.676 3.786 11.710) 12.845 0.779 ( -2.587 0.168 -4.220) 4.952 0.779 ( 2.587 0.168 4.220) 4.952 0.906 ( -1.670 0.223 -1.668) 2.371 0.906 ( 1.670 0.223 1.668) 2.371 1.049 ( 1.076 5.881 -13.652) 14.904 1.049 ( -1.076 5.881 13.652) 14.904 1.112 ( -0.775 0.312 -3.033) 3.146 1.112 ( 0.775 0.312 3.033) 3.146 1.308 ( -0.272 -2.013 -8.261) 8.507 1.308 ( 0.272 -2.013 8.261) 8.507 1.503 ( -0.647 -6.031 -1.455) 6.237 1.503 ( 0.647 -6.031 1.455) 6.237 1.685 ( -1.362 1.201 -2.064) 2.749 1.685 ( 1.362 1.201 2.064) 2.749 1.773 ( -4.109 -2.786 -4.977) 7.030 1.773 ( 4.109 -2.786 4.977) 7.030 1.958 ( -0.751 -1.691 -2.338) 2.981 1.958 ( 0.751 -1.691 2.338) 2.981 2.057 ( -0.638 2.679 -2.143) 3.490 2.057 ( 0.638 2.679 2.143) 3.490 2.178 ( -2.243 -1.637 -1.393) 3.107 2.178 ( 2.243 -1.637 1.393) 3.107 2.237 ( 0.859 -1.522 -1.441) 2.265 2.237 ( -0.859 -1.522 1.441) 2.265 2.381 ( -0.435 -0.398 -0.596) 0.839 2.381 ( 0.435 -0.398 0.596) 0.839 2.472 ( -0.838 1.909 -0.946) 2.290 2.472 ( 0.838 1.909 0.946) 2.290 2.547 ( -1.601 -1.191 -1.689) 2.614 2.547 ( 1.601 -1.191 1.689) 2.614 2.622 ( -2.514 2.896 -1.331) 4.059 2.622 ( 2.514 2.896 1.331) 4.059 3.016 ( -0.949 3.444 -0.353) 3.590 3.016 ( 0.949 3.444 0.353) 3.590 3.148 ( 0.580 0.499 -0.358) 0.845 3.148 ( -0.580 0.499 0.358) 0.845 3.256 ( -4.157 1.304 -0.809) 4.431 3.256 ( 4.157 1.304 0.809) 4.431 3.301 ( -1.733 -0.034 -0.889) 1.948 3.301 ( 1.733 -0.034 0.889) 1.948 3.408 ( -2.086 2.532 -1.434) 3.580 3.408 ( 2.086 2.532 1.434) 3.580 3.514 ( -0.306 2.425 -2.696) 3.639 3.514 ( 0.306 2.425 2.696) 3.639 3.677 ( -2.107 -2.471 -1.549) 3.598 3.677 ( 2.107 -2.471 1.549) 3.598 3.764 ( 2.307 -0.183 -1.976) 3.044 3.764 ( -2.307 -0.183 1.976) 3.044 3.814 ( 0.626 -1.314 -2.106) 2.560 3.814 ( -0.626 -1.314 2.106) 2.560 4.009 ( -0.009 1.058 -0.679) 1.257 4.009 ( 0.009 1.058 0.679) 1.257 4.133 ( -2.361 1.129 -2.066) 3.334 4.133 ( 2.361 1.129 2.066) 3.334 4.246 ( -2.608 -0.552 -1.085) 2.878 4.246 ( 2.608 -0.552 1.085) 2.878 4.348 ( -3.054 0.929 -1.869) 3.699 4.348 ( 3.054 0.929 1.869) 3.699 4.424 ( -3.114 1.216 0.000) 3.342 4.424 ( 3.114 1.216 -0.000) 3.342 4.562 ( 1.429 -1.574 -1.033) 2.363 4.562 ( -1.429 -1.574 1.033) 2.363 4.645 ( -1.041 -2.508 -1.804) 3.260 4.645 ( 1.041 -2.508 1.804) 3.260 4.808 ( -3.215 -2.689 -3.828) 5.676 4.808 ( 3.215 -2.689 3.828) 5.676 5.172 ( 0.173 -2.915 -3.809) 4.799 5.172 ( -0.173 -2.915 3.809) 4.799 7.141 ( 0.193 0.505 -0.347) 0.643 7.141 ( -0.193 0.505 0.347) 0.643 8.699 ( 1.431 5.840 -4.746) 7.660 8.699 ( -1.431 5.840 4.746) 7.660 9.671 ( -4.224 -1.041 -2.701) 5.121 9.671 ( 4.224 -1.041 2.701) 5.121 9.894 ( 1.765 -0.483 -2.409) 3.025 9.894 ( -1.765 -0.483 2.409) 3.025 10.031 ( 0.148 1.702 -1.342) 2.172 10.031 ( -0.148 1.702 1.342) 2.172 10.142 ( 2.932 -1.649 -4.632) 5.725 10.142 ( -2.932 -1.649 4.632) 5.725 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 5.671 10.010 -2.097) 11.694 0.521 ( 3.757 9.164 -9.893) 13.999 0.608 ( 2.451 0.949 8.841) 9.223 0.682 ( 5.120 -0.218 10.137) 11.359 0.750 ( 5.182 -0.538 -3.778) 6.436 0.797 ( -2.641 0.622 -1.452) 3.077 0.885 ( -1.279 -1.035 -0.906) 1.878 0.914 ( 2.019 1.931 -1.792) 3.319 0.954 ( 2.569 3.611 -9.307) 10.308 1.102 ( -0.973 0.305 4.019) 4.146 1.118 ( 3.183 -0.085 -3.265) 4.561 1.157 ( -0.741 -5.789 -4.327) 7.265 1.306 ( 4.797 3.670 2.576) 6.566 1.388 ( -1.204 0.326 6.812) 6.925 1.454 ( -3.584 -4.515 0.767) 5.816 1.540 ( 1.205 -4.514 2.605) 5.349 1.631 ( -3.446 2.119 -0.735) 4.111 1.665 ( 0.271 -3.552 -4.635) 5.846 1.725 ( 0.735 2.473 0.972) 2.757 1.852 ( 0.259 -3.147 2.761) 4.194 1.933 ( -0.017 -0.950 -0.965) 1.354 1.991 ( -0.180 0.316 2.283) 2.312 2.010 ( -1.771 4.997 -1.179) 5.431 2.067 ( -0.696 -0.573 0.979) 1.331 2.126 ( -1.164 -2.535 -2.530) 3.766 2.192 ( -1.344 -1.086 0.024) 1.728 2.225 ( -1.546 1.503 1.111) 2.425 2.277 ( -0.627 -1.785 0.027) 1.892 2.357 ( -0.357 0.340 -0.397) 0.633 2.400 ( 2.101 -1.969 1.204) 3.121 2.441 ( -1.297 -3.012 0.905) 3.402 2.515 ( 1.781 -1.189 1.608) 2.678 2.543 ( 1.684 1.504 -0.977) 2.460 2.605 ( 4.859 1.378 0.955) 5.140 2.643 ( 3.325 -0.812 0.712) 3.497 2.726 ( 4.803 2.084 2.780) 5.928 3.002 ( -0.438 2.016 -0.212) 2.074 3.047 ( 1.940 3.954 0.029) 4.404 3.148 ( -0.343 0.595 1.068) 1.270 3.163 ( 0.560 0.072 0.729) 0.922 3.181 ( -3.092 1.738 -0.126) 3.549 3.241 ( -2.576 0.118 -1.931) 3.222 3.271 ( -1.341 0.340 -4.340) 4.556 3.334 ( 0.194 2.543 0.164) 2.556 3.358 ( -1.496 0.591 -0.355) 1.648 3.427 ( -0.369 1.865 -0.044) 1.901 3.506 ( 0.293 1.616 0.384) 1.686 3.539 ( -0.590 3.265 5.350) 6.295 3.615 ( -2.138 -2.901 -0.105) 3.605 3.676 ( -0.962 1.349 -1.976) 2.579 3.768 ( -0.277 -1.346 2.887) 3.197 3.797 ( 2.006 0.987 -1.040) 2.466 3.821 ( -0.248 -0.356 -1.685) 1.740 3.823 ( 0.725 -0.433 -0.023) 0.845 3.988 ( 1.462 -1.045 -0.513) 1.869 4.030 ( 2.479 -0.096 -4.030) 4.732 4.107 ( 0.388 1.092 0.063) 1.161 4.182 ( -0.330 0.188 0.036) 0.381 4.212 ( -2.482 -1.458 0.520) 2.925 4.285 ( -0.386 0.024 2.117) 2.152 4.314 ( -2.636 1.183 -1.029) 3.067 4.333 ( 0.280 0.030 2.216) 2.234 4.395 ( -1.055 0.885 1.186) 1.817 4.469 ( 2.176 3.143 -0.360) 3.839 4.544 ( -1.130 -2.789 -1.752) 3.482 4.575 ( 2.212 -2.096 -2.111) 3.707 4.622 ( 0.929 -3.822 -0.471) 3.961 4.669 ( -0.213 -2.680 1.488) 3.073 4.732 ( -1.657 -4.072 -2.015) 4.836 4.893 ( 0.635 0.756 4.338) 4.449 5.062 ( -5.441 -2.986 -3.614) 7.182 5.177 ( -1.950 -1.228 -0.985) 2.506 7.137 ( -0.163 0.332 -0.041) 0.372 7.142 ( 0.063 0.566 -0.070) 0.574 8.633 ( -4.518 7.612 -2.269) 9.138 8.663 ( -6.341 4.422 3.402) 8.446 9.588 ( 1.078 0.603 -4.936) 5.088 9.752 ( 2.994 -3.893 -0.463) 4.932 9.871 ( -1.389 0.602 0.412) 1.569 9.882 ( -0.300 1.753 0.460) 1.837 10.036 ( 1.902 3.598 -2.216) 4.634 10.074 ( 2.028 1.524 1.737) 3.074 10.174 ( 2.169 -1.643 3.757) 4.639 10.224 ( 5.585 -5.637 -0.550) 7.954 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 5.334 11.593 -3.101) 13.133 0.574 ( 8.543 5.070 -2.732) 10.303 0.714 ( -0.664 0.860 0.352) 1.143 0.754 ( 1.981 1.951 0.599) 2.844 0.789 ( 1.245 1.635 0.489) 2.112 0.854 ( 0.799 0.433 3.336) 3.457 0.890 ( 4.055 0.015 3.620) 5.436 0.928 ( 0.552 -1.889 4.182) 4.622 0.985 ( 4.463 -1.229 -5.124) 6.905 1.079 ( 2.791 -3.185 -3.963) 5.800 1.101 ( 0.864 0.570 -3.524) 3.673 1.146 ( 1.127 0.418 -0.409) 1.270 1.371 ( -2.598 0.686 -0.078) 2.688 1.389 ( 0.109 -5.220 0.338) 5.232 1.405 ( -1.092 3.554 -1.295) 3.937 1.551 ( -3.346 2.951 -2.072) 4.919 1.634 ( 2.615 -1.056 4.120) 4.993 1.660 ( 2.078 -2.670 -1.446) 3.680 1.719 ( -0.767 1.840 -0.735) 2.124 1.848 ( -1.031 -1.794 -1.122) 2.354 1.948 ( 0.803 0.504 2.362) 2.545 2.009 ( -0.197 3.379 4.501) 5.631 2.024 ( 0.702 0.934 2.808) 3.041 2.060 ( -0.956 0.115 0.935) 1.342 2.087 ( 0.116 -3.208 -2.525) 4.084 2.142 ( -3.796 0.404 -1.163) 3.990 2.188 ( -4.158 2.424 0.472) 4.836 2.206 ( -3.241 2.149 0.568) 3.930 2.348 ( -0.205 -0.793 0.212) 0.846 2.450 ( 0.335 -3.980 0.965) 4.109 2.484 ( 1.782 -2.965 0.728) 3.535 2.549 ( 3.902 -3.878 -0.663) 5.541 2.570 ( 1.075 -0.330 -0.842) 1.405 2.684 ( 3.010 0.022 -1.279) 3.271 2.720 ( 4.102 -3.235 0.168) 5.227 2.808 ( 1.766 0.332 1.314) 2.226 2.993 ( -0.288 1.021 0.013) 1.061 3.054 ( -0.901 2.228 -0.947) 2.583 3.115 ( -1.876 0.196 -0.623) 1.987 3.177 ( 0.790 1.621 -1.740) 2.506 3.185 ( -0.126 1.826 0.057) 1.831 3.200 ( -0.728 0.588 0.440) 1.034 3.218 ( 0.547 0.953 2.745) 2.957 3.299 ( -1.959 2.282 -2.051) 3.640 3.333 ( -0.333 0.376 0.217) 0.547 3.437 ( -0.805 1.310 0.858) 1.761 3.484 ( -1.459 3.397 -0.229) 3.704 3.577 ( -1.457 -0.167 0.981) 1.764 3.613 ( 0.614 -0.431 3.929) 4.000 3.646 ( -0.572 1.771 -0.884) 2.060 3.767 ( -0.346 -0.897 -2.855) 3.012 3.802 ( 0.349 1.787 0.573) 1.908 3.818 ( 0.876 0.259 1.006) 1.359 3.845 ( 0.991 0.800 0.614) 1.414 4.005 ( 0.539 -3.453 -2.694) 4.412 4.027 ( 2.347 0.486 -5.045) 5.586 4.121 ( 0.489 0.853 -0.451) 1.082 4.162 ( -0.269 0.292 -0.113) 0.413 4.171 ( -1.676 -1.244 0.941) 2.289 4.204 ( -2.301 1.698 -2.226) 3.624 4.315 ( -1.345 0.026 0.886) 1.611 4.382 ( -1.423 -0.506 0.064) 1.511 4.411 ( 0.473 -1.484 5.815) 6.020 4.504 ( 0.641 1.765 3.913) 4.341 4.535 ( 2.804 -2.957 -2.307) 4.683 4.581 ( 1.564 -2.111 -2.284) 3.481 4.659 ( 0.091 -3.538 2.191) 4.163 4.674 ( 1.031 -4.645 0.049) 4.758 4.701 ( -0.185 -2.484 -1.378) 2.846 4.892 ( -2.439 3.319 -0.860) 4.207 4.967 ( -2.799 -5.348 0.741) 6.081 5.106 ( -4.004 0.231 -1.557) 4.302 7.136 ( 0.116 0.222 -0.078) 0.262 7.142 ( -0.008 0.495 0.030) 0.496 8.516 ( -4.689 6.926 -2.033) 8.607 8.578 ( -6.562 3.829 2.630) 8.040 9.617 ( 5.279 0.040 -2.374) 5.789 9.774 ( -0.107 -4.506 0.307) 4.518 9.871 ( 0.979 1.199 0.507) 1.629 9.900 ( 0.896 2.433 0.916) 2.750 10.061 ( 3.055 3.941 -1.591) 5.234 10.116 ( 1.140 1.248 0.567) 1.783 10.243 ( 1.860 -2.005 1.951) 3.359 10.285 ( 2.224 -4.397 -1.316) 5.100 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 5.764 5.375 -0.933) 7.936 0.627 ( -1.030 3.032 0.663) 3.270 0.689 ( 1.491 1.285 -1.505) 2.478 0.759 ( -1.601 -0.307 -2.778) 3.221 0.852 ( -0.684 -1.022 1.035) 1.608 0.893 ( -1.528 -1.362 -0.894) 2.233 0.920 ( 6.031 1.382 3.614) 7.166 0.974 ( 2.479 3.281 4.265) 5.925 1.055 ( 0.654 -0.843 -7.544) 7.619 1.072 ( -1.435 0.850 3.050) 3.476 1.135 ( 2.506 0.979 7.001) 7.500 1.238 ( 3.562 0.758 1.626) 3.988 1.288 ( -0.519 0.904 -4.436) 4.557 1.343 ( -0.141 5.460 -5.254) 7.579 1.392 ( 0.062 -1.733 -1.988) 2.638 1.442 ( -5.804 0.507 -1.433) 6.000 1.679 ( 0.733 -1.343 2.344) 2.799 1.702 ( 0.850 -1.413 -1.877) 2.499 1.747 ( 2.246 -0.274 4.711) 5.226 1.811 ( -0.537 -0.197 -3.263) 3.312 1.989 ( 0.657 0.340 1.484) 1.658 2.021 ( -0.929 -1.384 -0.772) 1.837 2.036 ( -2.100 1.842 2.523) 3.765 2.049 ( -1.621 0.508 -0.776) 1.867 2.068 ( -0.019 0.433 1.123) 1.204 2.091 ( -0.451 1.959 -0.375) 2.045 2.158 ( 0.347 1.129 1.028) 1.566 2.178 ( -1.222 1.969 0.458) 2.362 2.369 ( 1.271 -1.097 2.255) 2.812 2.431 ( -2.254 -2.355 -2.270) 3.973 2.492 ( 0.445 -2.406 1.397) 2.818 2.531 ( -0.547 -1.469 -4.292) 4.570 2.648 ( 4.067 -3.321 1.401) 5.434 2.703 ( -0.364 -1.103 -0.982) 1.521 2.773 ( 3.414 -3.870 -1.535) 5.384 2.815 ( -2.067 -2.066 0.988) 3.085 3.000 ( 0.996 1.019 0.228) 1.443 3.025 ( -1.420 0.929 -0.132) 1.702 3.112 ( 0.695 0.467 1.111) 1.391 3.144 ( -1.407 1.322 -1.329) 2.344 3.179 ( 0.197 2.260 1.595) 2.773 3.221 ( -0.885 2.000 -1.821) 2.847 3.241 ( 1.733 0.549 -0.282) 1.840 3.273 ( -1.085 1.265 1.142) 2.020 3.362 ( 2.914 0.560 0.675) 3.043 3.415 ( -2.507 0.393 1.157) 2.788 3.464 ( -0.163 2.140 0.949) 2.346 3.518 ( -2.203 -0.359 -3.986) 4.568 3.655 ( 1.274 1.204 1.408) 2.248 3.679 ( 0.385 0.711 2.199) 2.343 3.748 ( 1.043 0.159 0.380) 1.122 3.798 ( -0.914 1.896 -1.842) 2.797 3.837 ( 0.838 0.863 0.913) 1.510 3.861 ( -0.622 -0.252 0.169) 0.692 3.981 ( -0.459 -1.098 0.406) 1.257 4.002 ( 0.473 0.171 -4.277) 4.307 4.125 ( 1.634 0.174 -1.473) 2.207 4.148 ( -2.365 -0.673 1.686) 2.982 4.180 ( 0.891 -0.127 0.407) 0.988 4.188 ( 0.480 0.614 -0.318) 0.842 4.299 ( 0.031 0.694 0.099) 0.701 4.329 ( -2.645 1.271 -0.751) 3.029 4.475 ( 0.802 -2.557 4.042) 4.850 4.519 ( -0.620 -1.844 -2.033) 2.814 4.577 ( 2.758 -3.415 1.069) 4.517 4.614 ( 1.142 -3.510 0.056) 3.691 4.646 ( -1.018 -1.858 1.202) 2.436 4.673 ( -1.071 -3.184 -0.869) 3.470 4.740 ( 3.286 -2.610 1.746) 4.545 4.822 ( -2.799 -0.768 -3.131) 4.270 4.960 ( -0.064 -2.007 2.892) 3.521 5.018 ( -3.370 -0.045 -2.085) 3.963 7.139 ( 0.256 0.280 -0.062) 0.385 7.142 ( -0.131 0.393 0.066) 0.419 8.456 ( 0.119 5.292 -1.264) 5.442 8.491 ( -4.822 4.134 1.449) 6.515 9.696 ( 4.766 -1.160 -0.923) 4.991 9.756 ( -2.648 -2.797 0.750) 3.924 9.902 ( 0.915 0.728 1.204) 1.679 9.916 ( 0.368 1.332 -0.455) 1.455 10.102 ( 2.354 3.088 -0.551) 3.922 10.125 ( -0.469 1.842 0.155) 1.907 10.278 ( 0.793 -2.059 0.703) 2.316 10.292 ( 0.324 -2.167 -1.207) 2.501 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 1.719 7.603 -4.628) 9.066 0.565 ( -1.719 7.603 4.628) 9.066 0.622 ( 3.398 3.836 -8.781) 10.167 0.622 ( -3.398 3.836 8.781) 10.167 0.813 ( -2.290 0.754 -1.535) 2.858 0.813 ( 2.290 0.754 1.535) 2.858 0.895 ( -2.689 0.979 -1.300) 3.143 0.895 ( 2.689 0.979 1.300) 3.143 1.068 ( -0.233 -1.724 -2.242) 2.837 1.068 ( 0.233 -1.724 2.242) 2.837 1.134 ( -0.253 -2.663 -3.655) 4.529 1.134 ( 0.253 -2.663 3.655) 4.529 1.327 ( -2.095 3.017 -7.702) 8.533 1.327 ( 2.095 3.017 7.702) 8.533 1.409 ( 0.633 -1.660 -1.452) 2.295 1.409 ( -0.633 -1.660 1.452) 2.295 1.667 ( -0.796 -1.772 -4.760) 5.141 1.667 ( 0.796 -1.772 4.760) 5.141 1.753 ( -2.042 0.138 -3.124) 3.734 1.753 ( 2.042 0.138 3.124) 3.734 1.911 ( -0.855 -2.718 -2.787) 3.985 1.911 ( 0.855 -2.718 2.787) 3.985 2.097 ( -1.474 1.057 -0.485) 1.877 2.097 ( 1.474 1.057 0.485) 1.877 2.145 ( -0.673 -1.702 -2.260) 2.908 2.145 ( 0.673 -1.702 2.260) 2.908 2.220 ( 0.054 -0.336 -1.226) 1.272 2.220 ( -0.054 -0.336 1.226) 1.272 2.360 ( -0.011 -1.181 -0.984) 1.537 2.360 ( 0.011 -1.181 0.984) 1.537 2.479 ( -3.741 -1.037 -3.452) 5.195 2.479 ( 3.741 -1.037 3.452) 5.195 2.554 ( -0.422 1.620 -2.156) 2.729 2.554 ( 0.422 1.620 2.156) 2.729 2.689 ( -1.844 3.607 -1.277) 4.248 2.689 ( 1.844 3.607 1.277) 4.248 3.088 ( -1.456 3.716 -1.230) 4.176 3.088 ( 1.456 3.716 1.230) 4.176 3.164 ( -0.190 1.398 -0.819) 1.631 3.164 ( 0.190 1.398 0.819) 1.631 3.269 ( 1.071 -0.323 -1.485) 1.860 3.269 ( -1.071 -0.323 1.485) 1.860 3.308 ( -3.155 0.379 -1.961) 3.735 3.308 ( 3.155 0.379 1.961) 3.735 3.455 ( 1.045 2.608 -0.859) 2.938 3.455 ( -1.045 2.608 0.859) 2.938 3.553 ( -0.699 1.521 -3.933) 4.275 3.553 ( 0.699 1.521 3.933) 4.275 3.612 ( -3.192 -3.379 -4.029) 6.151 3.612 ( 3.192 -3.379 4.029) 6.151 3.767 ( -1.575 0.573 -0.763) 1.842 3.767 ( 1.575 0.573 0.763) 1.842 3.828 ( 1.208 1.689 -1.267) 2.432 3.828 ( -1.208 1.689 1.267) 2.432 4.018 ( 1.326 -0.024 -1.907) 2.323 4.018 ( -1.326 -0.024 1.907) 2.323 4.159 ( -1.453 1.839 -1.066) 2.575 4.159 ( 1.453 1.839 1.066) 2.575 4.243 ( -2.781 0.254 -1.344) 3.099 4.243 ( 2.781 0.254 1.344) 3.099 4.358 ( -3.177 -0.174 -2.830) 4.258 4.358 ( 3.177 -0.174 2.830) 4.258 4.418 ( -0.907 -1.982 -2.455) 3.283 4.418 ( 0.907 -1.982 2.455) 3.283 4.508 ( 0.690 -3.593 -0.885) 3.764 4.508 ( -0.690 -3.593 0.885) 3.764 4.605 ( -0.417 -2.111 -0.597) 2.233 4.605 ( 0.417 -2.111 0.597) 2.233 4.775 ( -3.912 -0.240 -6.025) 7.187 4.775 ( 3.912 -0.240 6.025) 7.187 5.113 ( -0.783 -3.123 -5.180) 6.099 5.113 ( 0.783 -3.123 5.180) 6.099 7.151 ( 0.112 0.579 -0.224) 0.631 7.151 ( -0.112 0.579 0.224) 0.631 8.808 ( 0.489 5.093 -2.139) 5.545 8.808 ( -0.489 5.093 2.139) 5.545 9.646 ( -1.188 -1.255 -2.712) 3.216 9.646 ( 1.188 -1.255 2.712) 3.216 9.912 ( 1.183 2.233 -2.533) 3.578 9.912 ( -1.183 2.233 2.533) 3.578 10.057 ( 1.460 0.704 -2.290) 2.806 10.057 ( -1.460 0.704 2.290) 2.806 10.117 ( 0.090 -0.709 -3.140) 3.221 10.117 ( -0.090 -0.709 3.140) 3.221 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 1.924 7.100 2.589) 7.798 0.642 ( 8.922 2.449 -5.010) 10.522 0.675 ( 3.923 5.259 2.707) 7.097 0.702 ( 3.600 4.234 4.126) 6.922 0.778 ( 0.866 1.841 1.403) 2.472 0.822 ( -1.170 3.994 0.177) 4.166 0.856 ( -0.975 -1.810 -0.517) 2.120 0.937 ( -0.016 1.374 0.677) 1.532 1.025 ( -2.117 -5.012 -5.680) 7.866 1.069 ( 0.767 0.269 -3.731) 3.818 1.109 ( 2.144 0.998 -1.173) 2.640 1.134 ( 3.087 4.291 -4.545) 6.971 1.268 ( -0.045 -4.084 -0.887) 4.179 1.371 ( 0.428 -4.281 1.021) 4.422 1.419 ( -0.792 -3.043 -1.190) 3.362 1.500 ( 3.360 1.243 6.403) 7.338 1.642 ( 1.568 2.490 1.234) 3.191 1.659 ( -2.633 1.401 -1.250) 3.234 1.743 ( 0.837 -0.332 1.632) 1.864 1.817 ( 0.992 -0.493 1.616) 1.959 1.889 ( 0.887 -3.166 -1.173) 3.491 1.969 ( 2.235 -2.638 1.717) 3.860 2.053 ( -1.588 -0.678 -0.312) 1.755 2.091 ( -2.329 2.382 0.431) 3.360 2.103 ( -1.008 0.988 -0.810) 1.627 2.169 ( -0.539 -1.449 0.719) 1.705 2.226 ( 0.937 -1.377 0.607) 1.773 2.247 ( 0.997 -0.741 -0.203) 1.259 2.355 ( -0.212 -2.211 -0.113) 2.224 2.371 ( -0.492 -0.613 0.785) 1.111 2.404 ( -1.399 0.097 -0.156) 1.411 2.515 ( -1.155 1.413 -0.627) 1.930 2.579 ( 3.594 -2.593 2.153) 4.927 2.588 ( 0.261 2.406 0.816) 2.554 2.666 ( 0.914 2.095 -1.086) 2.530 2.754 ( 2.637 0.961 2.073) 3.489 3.050 ( -1.399 2.753 -0.775) 3.184 3.121 ( 0.657 3.544 -0.201) 3.610 3.160 ( 0.531 -0.341 -0.123) 0.643 3.172 ( -0.648 1.929 1.422) 2.483 3.206 ( -4.266 1.026 -1.614) 4.674 3.242 ( -0.607 -0.457 -0.443) 0.880 3.279 ( -0.361 0.522 -2.085) 2.180 3.350 ( -0.061 -0.826 -0.987) 1.289 3.416 ( -1.941 4.641 -1.209) 5.174 3.460 ( 0.614 1.637 -0.680) 1.876 3.524 ( 0.220 0.089 -1.997) 2.011 3.553 ( -0.238 -1.438 1.289) 1.946 3.597 ( -1.868 1.329 6.027) 6.449 3.705 ( 3.082 -1.255 1.607) 3.695 3.722 ( -2.035 -0.092 -0.811) 2.192 3.792 ( 0.974 -0.270 -0.211) 1.032 3.833 ( 1.281 0.640 0.054) 1.433 3.850 ( 1.491 2.715 -1.004) 3.256 3.987 ( -1.496 0.222 -0.837) 1.729 4.029 ( 1.798 0.089 -2.312) 2.930 4.141 ( -0.086 2.425 0.361) 2.453 4.191 ( -1.944 -0.275 1.024) 2.215 4.194 ( -0.299 1.107 -0.589) 1.289 4.277 ( -0.895 -0.919 -1.423) 1.916 4.318 ( 2.382 -0.123 2.210) 3.252 4.339 ( -3.497 -0.400 -2.997) 4.623 4.405 ( -0.947 0.071 1.238) 1.560 4.457 ( 1.174 -2.634 0.227) 2.893 4.515 ( 1.282 -4.610 0.064) 4.785 4.523 ( 0.609 -1.836 0.351) 1.966 4.572 ( -0.961 -0.842 -1.804) 2.211 4.616 ( 0.074 -1.549 -0.315) 1.583 4.663 ( -2.459 -2.973 -1.668) 4.203 4.871 ( 0.446 -3.104 3.267) 4.528 5.018 ( -3.931 -0.820 -3.316) 5.208 5.141 ( -2.481 -2.526 2.934) 4.598 7.146 ( -0.264 0.559 -0.098) 0.626 7.153 ( 0.066 0.510 -0.181) 0.545 8.753 ( -5.160 4.951 1.047) 7.227 8.767 ( -6.153 5.525 1.268) 8.367 9.601 ( 0.756 0.733 -3.343) 3.504 9.682 ( 0.806 -3.133 0.629) 3.295 9.903 ( 0.590 2.589 -1.389) 2.997 9.931 ( 0.444 3.274 2.206) 3.973 10.084 ( 2.429 0.535 0.022) 2.487 10.105 ( 1.535 -0.027 -2.253) 2.726 10.116 ( 5.856 -1.090 -1.429) 6.126 10.163 ( 1.449 -1.500 3.207) 3.826 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 3.659 3.359 0.653) 5.010 0.713 ( 4.162 7.783 -3.602) 9.533 0.725 ( -0.385 2.764 -1.809) 3.326 0.819 ( 1.818 1.658 -0.537) 2.519 0.825 ( 4.469 3.648 3.535) 6.766 0.862 ( 0.900 0.311 0.920) 1.324 0.893 ( -0.661 -0.424 1.455) 1.654 0.898 ( 5.406 0.994 0.783) 5.553 0.955 ( -0.517 -0.616 -0.895) 1.203 1.082 ( 2.675 1.586 0.791) 3.209 1.130 ( 2.057 1.603 -5.493) 6.080 1.168 ( 2.851 3.446 3.351) 5.589 1.294 ( 2.627 -3.488 0.644) 4.414 1.357 ( -2.089 -2.927 -3.828) 5.252 1.414 ( 2.619 -2.425 0.592) 3.618 1.592 ( 0.301 -1.664 0.893) 1.912 1.608 ( 0.212 1.571 -0.570) 1.684 1.681 ( 0.458 4.044 -0.419) 4.091 1.740 ( -1.194 0.436 -1.304) 1.821 1.823 ( 0.122 -0.745 -0.913) 1.185 1.920 ( 1.929 -3.072 1.187) 3.817 2.005 ( 0.464 -1.504 0.426) 1.630 2.042 ( 0.125 -0.616 -0.055) 0.631 2.057 ( -2.482 1.915 2.339) 3.911 2.111 ( 1.171 2.585 2.434) 3.739 2.164 ( -0.517 1.446 -0.045) 1.536 2.223 ( -1.597 -0.363 -0.232) 1.654 2.229 ( -2.683 0.713 -0.039) 2.777 2.345 ( -0.172 0.512 -0.505) 0.739 2.375 ( 0.414 -3.337 0.963) 3.497 2.425 ( 1.710 -1.999 1.460) 3.009 2.503 ( 0.959 -0.785 -0.781) 1.465 2.572 ( -1.463 0.597 -1.304) 2.049 2.639 ( 2.599 -3.354 -1.290) 4.435 2.685 ( 1.018 -1.514 -0.026) 1.825 2.792 ( -0.791 -1.871 1.338) 2.433 3.027 ( -0.727 2.292 0.226) 2.415 3.079 ( -2.677 0.640 -0.766) 2.857 3.128 ( -1.640 0.799 -0.860) 2.016 3.198 ( 1.636 0.188 1.054) 1.955 3.213 ( 0.912 1.172 1.582) 2.170 3.216 ( -0.312 1.398 -1.141) 1.831 3.247 ( -1.393 1.665 0.238) 2.184 3.319 ( -1.184 -0.493 -0.476) 1.368 3.379 ( -0.936 4.367 -0.720) 4.524 3.458 ( -0.868 0.721 -0.531) 1.247 3.497 ( -0.054 -1.608 -3.089) 3.483 3.586 ( -2.536 0.144 1.562) 2.982 3.625 ( 1.499 2.048 4.963) 5.574 3.684 ( -0.256 1.447 -0.791) 1.668 3.750 ( 1.127 -0.411 -0.963) 1.539 3.812 ( 1.062 -0.151 1.226) 1.629 3.845 ( 0.682 1.974 -1.396) 2.512 3.869 ( 1.080 1.607 0.555) 2.014 3.960 ( -0.545 -0.985 -0.631) 1.291 4.035 ( 1.592 0.115 -3.318) 3.682 4.144 ( -1.315 0.835 0.899) 1.799 4.154 ( -1.437 0.610 -1.176) 1.955 4.174 ( -0.099 1.248 0.595) 1.386 4.234 ( -1.726 1.178 -3.277) 3.887 4.312 ( 1.887 -0.502 0.790) 2.107 4.369 ( -0.792 -1.035 0.994) 1.639 4.394 ( -1.254 -0.051 3.502) 3.720 4.462 ( 0.194 -3.532 -0.933) 3.659 4.516 ( -0.527 -2.357 0.725) 2.522 4.543 ( 1.115 -1.425 -0.986) 2.061 4.568 ( 0.845 -4.657 0.770) 4.795 4.607 ( -1.163 -2.243 1.278) 2.831 4.650 ( 1.269 -3.261 -0.639) 3.557 4.848 ( -2.652 -6.794 -2.593) 7.740 4.943 ( -2.814 2.220 1.268) 3.802 5.092 ( -4.575 -1.727 0.452) 4.911 7.143 ( 0.079 0.497 -0.078) 0.509 7.152 ( -0.054 0.429 -0.040) 0.434 8.645 ( -6.444 5.978 -0.162) 8.792 8.662 ( -6.248 4.687 1.464) 7.947 9.616 ( 3.175 -0.108 -1.528) 3.525 9.695 ( 0.210 -3.653 0.317) 3.673 9.913 ( 1.606 3.226 -0.443) 3.630 9.961 ( 0.420 3.933 1.572) 4.256 10.120 ( 2.519 -0.261 -1.930) 3.184 10.125 ( 2.440 0.733 -0.802) 2.671 10.197 ( 3.475 -1.209 -0.280) 3.690 10.221 ( 1.804 -2.411 1.759) 3.488 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 0.934 4.716 -0.814) 4.876 0.706 ( -0.743 2.278 -0.685) 2.492 0.740 ( 3.184 7.833 -1.582) 8.602 0.792 ( -2.707 3.569 -1.097) 4.612 0.848 ( 1.794 0.675 0.121) 1.920 0.883 ( -1.812 0.194 0.027) 1.822 0.938 ( 4.321 1.839 2.321) 5.238 1.012 ( 0.527 -0.994 2.048) 2.337 1.042 ( 5.195 0.064 0.799) 5.257 1.089 ( 1.203 1.465 -3.056) 3.596 1.132 ( 0.252 -1.930 4.902) 5.274 1.237 ( -3.327 -2.089 -3.706) 5.401 1.331 ( 5.391 4.504 5.861) 9.149 1.362 ( 2.893 0.868 1.092) 3.212 1.433 ( -0.103 2.062 -2.929) 3.583 1.503 ( -4.488 4.533 -5.794) 8.618 1.646 ( 1.360 -1.399 0.270) 1.970 1.674 ( -0.499 -1.059 -1.302) 1.751 1.734 ( 0.432 -1.065 4.790) 4.926 1.799 ( -0.438 -1.366 -4.149) 4.390 1.964 ( 2.317 -2.764 -0.314) 3.620 1.993 ( -0.649 -0.510 -0.675) 1.066 2.046 ( -0.648 1.372 2.343) 2.792 2.074 ( 0.722 0.745 1.500) 1.824 2.116 ( -2.605 4.324 -0.701) 5.097 2.143 ( -1.785 1.781 -0.057) 2.522 2.193 ( 0.696 2.268 1.498) 2.806 2.214 ( -0.334 1.386 0.025) 1.426 2.347 ( 0.772 -1.148 0.148) 1.392 2.376 ( -1.247 -3.151 -0.770) 3.475 2.450 ( 0.538 -1.541 1.801) 2.431 2.497 ( -1.055 -2.048 -3.954) 4.576 2.585 ( 4.575 -2.696 1.335) 5.476 2.667 ( -2.048 -2.527 -0.594) 3.306 2.686 ( 3.302 -4.890 -0.977) 5.981 2.754 ( -4.060 -4.223 0.569) 5.886 3.028 ( 0.189 1.784 0.578) 1.885 3.043 ( -1.205 1.108 0.027) 1.637 3.124 ( 0.799 0.641 1.285) 1.644 3.166 ( -2.035 0.753 -1.407) 2.586 3.216 ( 0.659 1.307 0.091) 1.467 3.243 ( -0.809 0.181 -0.676) 1.069 3.266 ( 2.091 1.893 1.367) 3.135 3.301 ( -1.128 1.353 0.523) 1.838 3.384 ( 2.068 1.924 -0.232) 2.834 3.423 ( -2.265 0.322 0.215) 2.297 3.477 ( 0.184 -1.124 -0.351) 1.192 3.517 ( -2.811 0.205 -2.581) 3.822 3.685 ( 1.515 1.830 -0.709) 2.479 3.696 ( -0.680 1.045 2.500) 2.794 3.771 ( 2.364 1.935 1.287) 3.315 3.823 ( -1.033 0.506 -0.880) 1.448 3.856 ( 0.965 1.686 1.147) 2.256 3.879 ( 0.063 1.691 -1.125) 2.032 3.965 ( 0.056 -0.319 2.820) 2.838 4.008 ( -0.096 0.224 -4.395) 4.401 4.124 ( -0.648 -0.073 0.245) 0.697 4.130 ( -0.522 -0.366 -0.573) 0.857 4.195 ( 0.718 1.520 1.244) 2.091 4.210 ( 0.362 1.311 -1.082) 1.738 4.320 ( 0.913 1.690 -0.912) 2.126 4.357 ( -3.171 1.723 0.589) 3.657 4.410 ( 0.813 -3.979 3.410) 5.304 4.452 ( -0.318 -4.911 -1.975) 5.303 4.524 ( 0.532 -2.486 0.498) 2.591 4.540 ( -0.426 -3.815 -0.686) 3.899 4.592 ( 1.383 -4.210 -0.362) 4.446 4.604 ( -1.315 -3.153 2.056) 3.987 4.689 ( 2.636 -2.986 1.572) 4.282 4.765 ( -2.878 -4.707 -3.191) 6.374 4.941 ( 0.585 -0.178 2.294) 2.374 5.005 ( -3.883 -1.314 -1.673) 4.427 7.146 ( 0.283 0.461 -0.027) 0.541 7.150 ( -0.170 0.425 0.055) 0.461 8.566 ( -1.558 5.608 -0.611) 5.852 8.580 ( -3.714 4.758 0.907) 6.104 9.662 ( 2.620 -2.062 -0.378) 3.356 9.692 ( -0.985 -3.392 0.236) 3.540 9.945 ( 1.648 3.637 0.307) 4.005 9.968 ( -0.700 3.981 0.205) 4.047 10.146 ( 1.284 -0.021 -0.312) 1.322 10.151 ( 1.035 1.061 -0.641) 1.615 10.237 ( 1.595 -1.515 -0.304) 2.221 10.249 ( -0.030 -2.012 0.549) 2.086 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 1.461 2.222 -4.770) 5.461 0.642 ( -1.461 2.222 4.770) 5.461 0.751 ( 1.307 4.381 -0.947) 4.668 0.751 ( -1.307 4.381 0.947) 4.668 0.789 ( -0.632 0.947 -1.894) 2.210 0.789 ( 0.632 0.947 1.894) 2.210 0.948 ( -1.508 2.533 -1.261) 3.206 0.948 ( 1.508 2.533 1.261) 3.206 1.007 ( -3.092 -5.147 -3.163) 6.787 1.007 ( 3.092 -5.147 3.163) 6.787 1.069 ( -0.009 -1.780 -2.258) 2.875 1.069 ( 0.009 -1.780 2.258) 2.875 1.299 ( 0.178 -2.085 -0.556) 2.165 1.299 ( -0.178 -2.085 0.556) 2.165 1.466 ( -1.246 2.610 -4.376) 5.245 1.466 ( 1.246 2.610 4.376) 5.245 1.650 ( -0.874 -0.335 -1.681) 1.924 1.650 ( 0.874 -0.335 1.681) 1.924 1.776 ( -0.374 2.488 -3.540) 4.343 1.776 ( 0.374 2.488 3.540) 4.343 1.864 ( -0.086 -2.403 -3.392) 4.158 1.864 ( 0.086 -2.403 3.392) 4.158 2.094 ( -1.064 -0.857 -1.983) 2.409 2.094 ( 1.064 -0.857 1.983) 2.409 2.124 ( 0.441 -0.391 -0.541) 0.800 2.124 ( -0.441 -0.391 0.541) 0.800 2.223 ( -0.364 0.389 -0.459) 0.703 2.223 ( 0.364 0.389 0.459) 0.703 2.342 ( -0.025 -0.696 -0.474) 0.842 2.342 ( 0.025 -0.696 0.474) 0.842 2.462 ( -1.611 -0.504 -1.605) 2.329 2.462 ( 1.611 -0.504 1.605) 2.329 2.580 ( -0.144 0.833 -1.115) 1.399 2.580 ( 0.144 0.833 1.115) 1.399 2.738 ( -0.674 1.431 -0.557) 1.677 2.738 ( 0.674 1.431 0.557) 1.677 3.142 ( -1.105 2.038 -1.844) 2.962 3.142 ( 1.105 2.038 1.844) 2.962 3.193 ( -1.229 0.658 -1.539) 2.076 3.193 ( 1.229 0.658 1.539) 2.076 3.257 ( -0.209 0.083 -0.910) 0.937 3.257 ( 0.209 0.083 0.910) 0.937 3.297 ( -2.464 -1.414 -0.379) 2.866 3.297 ( 2.464 -1.414 0.379) 2.866 3.507 ( 0.595 2.900 -1.586) 3.358 3.507 ( -0.595 2.900 1.586) 3.358 3.558 ( -0.029 -2.168 -2.251) 3.126 3.558 ( 0.029 -2.168 2.251) 3.126 3.572 ( -0.930 0.051 -0.164) 0.945 3.572 ( 0.930 0.051 0.164) 0.945 3.777 ( -0.308 0.370 -0.520) 0.709 3.777 ( 0.308 0.370 0.520) 0.709 3.854 ( -0.647 0.830 -0.202) 1.072 3.854 ( 0.647 0.830 0.202) 1.072 4.015 ( 0.257 -0.068 -0.933) 0.970 4.015 ( -0.257 -0.068 0.933) 0.970 4.207 ( -0.516 3.129 -0.864) 3.287 4.207 ( 0.516 3.129 0.864) 3.287 4.250 ( -1.118 0.069 -1.138) 1.597 4.250 ( 1.118 0.069 1.138) 1.597 4.327 ( -1.241 -2.897 -1.445) 3.467 4.327 ( 1.241 -2.897 1.445) 3.467 4.375 ( -0.989 -1.453 -1.530) 2.331 4.375 ( 0.989 -1.453 1.530) 2.331 4.468 ( -0.830 -0.691 -0.484) 1.183 4.468 ( 0.830 -0.691 0.484) 1.183 4.563 ( -0.075 -1.694 -0.560) 1.785 4.563 ( 0.075 -1.694 0.560) 1.785 4.789 ( -1.581 0.905 -3.568) 4.006 4.789 ( 1.581 0.905 3.568) 4.006 5.067 ( -0.424 -1.493 -2.914) 3.301 5.067 ( 0.424 -1.493 2.914) 3.301 7.160 ( 0.026 0.250 -0.075) 0.262 7.160 ( -0.026 0.250 0.075) 0.262 8.873 ( 0.027 1.820 -0.698) 1.950 8.873 ( -0.027 1.820 0.698) 1.950 9.631 ( -0.114 -0.353 -1.053) 1.117 9.631 ( 0.114 -0.353 1.053) 1.117 9.958 ( 0.536 2.013 -2.010) 2.895 9.958 ( -0.536 2.013 2.010) 2.895 10.050 ( 0.970 -0.958 -2.793) 3.108 10.050 ( -0.970 -0.958 2.793) 3.108 10.117 ( -0.133 0.284 -0.456) 0.553 10.117 ( 0.133 0.284 0.456) 0.553 ======================= Grid point 124 (58/60) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 3.703 1.868 -2.282) 4.734 0.677 ( 2.215 0.400 0.108) 2.253 0.756 ( 1.007 4.868 0.786) 5.033 0.770 ( 2.254 2.539 1.536) 3.727 0.819 ( 1.369 -2.173 0.837) 2.701 0.839 ( 3.241 1.011 0.888) 3.509 0.904 ( -1.542 1.376 -2.695) 3.396 0.935 ( -0.522 0.369 0.487) 0.803 0.980 ( 1.698 3.145 -0.942) 3.696 1.050 ( 0.646 -1.770 -0.514) 1.953 1.099 ( 4.365 -1.021 0.018) 4.483 1.130 ( 4.583 -4.420 1.545) 6.552 1.288 ( -1.291 0.976 -2.526) 3.000 1.317 ( 1.725 -1.989 -0.134) 2.637 1.380 ( -1.110 4.028 -4.957) 6.483 1.477 ( -0.122 -3.830 0.079) 3.833 1.681 ( 0.945 2.167 2.445) 3.401 1.716 ( 2.019 0.266 2.292) 3.066 1.741 ( 0.688 1.985 -1.278) 2.459 1.803 ( 1.013 -2.723 -3.020) 4.191 1.860 ( 1.778 1.985 0.854) 2.798 1.914 ( 2.298 -2.971 1.864) 4.193 2.056 ( -1.877 1.433 0.902) 2.528 2.099 ( -2.278 -1.789 2.573) 3.875 2.122 ( -0.266 0.672 -0.012) 0.722 2.139 ( 0.310 -1.067 1.529) 1.890 2.216 ( 0.127 0.420 -0.471) 0.644 2.231 ( -0.019 -0.982 -0.119) 0.989 2.336 ( -0.008 0.094 -0.380) 0.392 2.348 ( -0.151 -1.208 0.790) 1.451 2.435 ( -0.585 3.086 0.530) 3.185 2.504 ( 0.851 -3.536 1.273) 3.853 2.572 ( 0.251 2.162 -0.461) 2.225 2.604 ( 0.858 -0.805 0.144) 1.185 2.715 ( -1.578 2.915 -0.193) 3.320 2.755 ( -0.034 -1.068 1.128) 1.554 3.098 ( -1.314 2.430 -1.654) 3.220 3.138 ( -1.324 -1.703 -1.900) 2.875 3.174 ( -1.711 1.985 0.165) 2.626 3.203 ( -3.320 -0.032 0.967) 3.458 3.227 ( -0.131 0.402 1.127) 1.204 3.236 ( -0.481 1.160 0.447) 1.333 3.281 ( 0.801 0.312 -1.966) 2.146 3.317 ( 0.372 -2.498 -2.125) 3.301 3.476 ( -0.604 1.469 -3.525) 3.867 3.499 ( -0.609 -0.452 -2.487) 2.600 3.517 ( -1.064 3.323 0.706) 3.560 3.560 ( 0.040 0.321 2.935) 2.953 3.609 ( -0.156 0.169 4.448) 4.454 3.639 ( 1.028 -3.449 3.559) 5.061 3.760 ( 0.607 1.819 -2.200) 2.918 3.784 ( 1.104 -0.816 -0.909) 1.647 3.854 ( 0.425 1.755 0.399) 1.850 3.881 ( 1.264 -0.224 0.120) 1.290 3.997 ( -0.835 1.324 -0.905) 1.808 4.024 ( 0.538 -0.947 -0.676) 1.282 4.187 ( -1.109 2.564 -0.525) 2.843 4.220 ( -0.146 2.647 -0.754) 2.756 4.228 ( -1.243 1.699 -0.995) 2.328 4.245 ( 0.473 -1.507 0.079) 1.582 4.291 ( -0.783 -2.138 -2.363) 3.281 4.330 ( 0.089 -2.433 0.304) 2.453 4.380 ( 0.412 -0.451 2.127) 2.213 4.419 ( 0.682 -2.748 1.569) 3.237 4.454 ( -0.512 0.621 0.108) 0.812 4.490 ( 0.658 -2.372 0.624) 2.540 4.544 ( -1.008 -0.057 0.141) 1.020 4.576 ( 0.404 -2.936 -0.106) 2.965 4.690 ( -2.926 4.599 -4.835) 7.286 4.787 ( -1.608 -5.345 -2.838) 6.261 5.036 ( -2.890 2.300 2.202) 4.300 5.088 ( -2.681 -3.027 4.002) 5.689 7.155 ( -0.203 0.402 -0.170) 0.481 7.159 ( -0.049 0.067 -0.207) 0.223 8.824 ( -5.180 2.335 0.783) 5.736 8.833 ( -5.417 1.479 1.138) 5.729 9.616 ( 0.252 0.941 -1.376) 1.686 9.639 ( 0.174 -1.617 0.068) 1.628 9.958 ( 1.927 2.956 -2.221) 4.169 9.986 ( 1.882 1.435 0.959) 2.554 10.050 ( 1.536 -0.940 -1.649) 2.442 10.079 ( 0.906 -2.306 2.147) 3.279 10.142 ( 3.085 1.191 0.049) 3.307 10.153 ( 2.565 -0.064 0.410) 2.598 ======================= Grid point 125 (59/60) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 2.787 2.067 -0.284) 3.482 0.723 ( 2.694 -0.206 -0.321) 2.721 0.817 ( 2.160 0.874 1.772) 2.928 0.824 ( 0.799 -0.857 2.865) 3.095 0.844 ( 3.818 0.820 -1.728) 4.270 0.859 ( 0.766 -0.289 0.286) 0.867 0.946 ( 1.604 3.315 1.810) 4.103 0.949 ( 3.224 1.734 1.278) 3.878 1.005 ( 2.703 5.366 -3.344) 6.876 1.061 ( 0.991 -2.156 -0.201) 2.381 1.153 ( 1.839 1.823 -5.097) 5.717 1.239 ( 3.255 -5.379 -3.670) 7.280 1.260 ( 2.926 2.531 3.995) 5.561 1.306 ( 0.677 -0.198 1.273) 1.456 1.392 ( 3.404 3.341 1.278) 4.938 1.510 ( 1.612 -6.200 2.760) 6.975 1.669 ( -0.960 3.779 -3.074) 4.965 1.723 ( -1.657 -0.622 -1.779) 2.509 1.754 ( 0.659 1.142 -1.088) 1.710 1.796 ( 1.855 -2.601 -3.615) 4.825 1.906 ( 1.447 2.662 1.364) 3.323 1.967 ( 1.650 -2.869 0.647) 3.372 2.056 ( 0.148 1.897 1.919) 2.702 2.085 ( -2.143 0.320 2.127) 3.036 2.129 ( 0.694 0.162 1.413) 1.583 2.161 ( 0.810 -2.387 1.447) 2.906 2.210 ( -0.063 0.810 -0.547) 0.980 2.227 ( -0.220 -0.697 0.175) 0.752 2.338 ( 0.165 -0.534 -0.210) 0.597 2.344 ( -0.509 -0.938 -0.535) 1.194 2.443 ( 0.204 3.415 0.873) 3.531 2.502 ( -0.896 -1.290 -1.220) 1.989 2.571 ( 0.066 0.306 -1.417) 1.451 2.605 ( -0.632 -1.706 0.697) 1.949 2.674 ( -2.540 2.049 -0.348) 3.281 2.740 ( -3.212 -3.723 0.917) 5.002 3.068 ( -0.771 1.888 -0.630) 2.135 3.089 ( -1.857 -0.009 -0.705) 1.987 3.137 ( -1.678 0.958 0.512) 1.998 3.174 ( -1.417 -2.259 1.997) 3.332 3.243 ( 0.319 1.425 -1.418) 2.035 3.252 ( 0.831 2.477 1.060) 2.820 3.261 ( -0.527 -0.259 -0.450) 0.740 3.295 ( -0.428 -1.960 0.343) 2.035 3.440 ( -0.369 1.420 -2.188) 2.635 3.464 ( -0.265 -1.504 -2.605) 3.019 3.493 ( -1.882 3.860 -0.600) 4.336 3.564 ( -2.400 -2.790 0.027) 3.681 3.660 ( 1.574 1.339 3.576) 4.130 3.679 ( 0.832 -0.990 2.365) 2.695 3.772 ( 1.946 2.056 -0.525) 2.879 3.806 ( 1.535 -1.181 0.331) 1.965 3.868 ( 1.016 1.654 -0.085) 1.943 3.895 ( 0.696 -0.198 -0.573) 0.923 3.973 ( -0.741 2.302 -0.398) 2.451 4.019 ( -0.181 -1.958 -1.024) 2.217 4.161 ( -1.074 1.607 -0.771) 2.081 4.179 ( -1.203 0.697 -2.018) 2.451 4.214 ( 0.241 2.108 -0.684) 2.229 4.241 ( -0.703 -0.345 -2.893) 2.997 4.295 ( 2.112 0.070 2.426) 3.217 4.344 ( 0.521 -2.780 0.478) 2.868 4.402 ( -1.032 1.207 1.408) 2.122 4.425 ( -0.935 -1.449 1.598) 2.351 4.450 ( -0.877 -1.116 1.482) 2.052 4.487 ( -1.206 -3.704 0.266) 3.905 4.538 ( 0.052 0.452 0.077) 0.462 4.572 ( -0.593 -2.809 -0.392) 2.898 4.632 ( 0.141 2.875 -1.311) 3.163 4.723 ( -1.733 -6.257 -2.602) 6.995 4.991 ( -3.943 2.902 1.317) 5.070 5.047 ( -4.554 -2.919 1.274) 5.557 7.152 ( 0.018 0.414 -0.080) 0.423 7.156 ( -0.041 0.006 -0.072) 0.083 8.723 ( -6.246 2.307 0.628) 6.688 8.728 ( -6.319 1.806 0.673) 6.607 9.619 ( 1.096 0.619 -0.618) 1.402 9.643 ( 0.213 -1.994 0.020) 2.006 9.983 ( 2.839 3.978 -1.386) 5.080 10.034 ( 1.744 2.407 1.280) 3.236 10.067 ( 2.428 -2.002 -1.883) 3.667 10.116 ( 1.069 -2.906 1.043) 3.267 10.201 ( 2.564 0.489 0.158) 2.615 10.202 ( 2.471 0.175 0.270) 2.492 ======================= Grid point 126 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 1.239 1.772 0.244) 2.175 0.751 ( 0.387 0.891 -0.268) 1.007 0.846 ( 1.337 2.385 -0.088) 2.736 0.858 ( 0.096 0.360 0.825) 0.905 0.877 ( 0.988 3.329 3.238) 4.748 0.930 ( 0.928 3.338 -1.660) 3.842 0.970 ( 2.308 0.680 2.155) 3.231 1.000 ( 2.328 2.005 -3.358) 4.552 1.045 ( 1.643 0.414 3.485) 3.875 1.080 ( 0.446 -2.605 1.324) 2.956 1.113 ( -0.054 0.817 -3.018) 3.127 1.164 ( -2.201 -5.037 -6.006) 8.142 1.385 ( 4.004 1.501 3.305) 5.404 1.406 ( 2.754 0.506 3.193) 4.247 1.474 ( 3.779 4.696 2.059) 6.370 1.563 ( 0.330 -0.936 -1.605) 1.887 1.605 ( -0.916 0.124 -0.638) 1.123 1.659 ( -3.542 -2.058 -0.744) 4.163 1.744 ( -0.516 1.687 0.666) 1.886 1.771 ( 0.424 -1.171 -5.022) 5.174 1.940 ( 1.549 0.619 0.466) 1.732 1.972 ( -1.307 -1.897 -0.053) 2.304 2.086 ( 0.886 1.719 1.120) 2.235 2.091 ( 1.145 0.829 1.063) 1.768 2.153 ( 0.515 1.052 0.679) 1.354 2.179 ( -1.017 0.515 -0.065) 1.142 2.212 ( 1.331 0.319 -0.639) 1.511 2.228 ( -0.539 0.110 1.353) 1.460 2.328 ( -0.204 -0.826 -0.656) 1.075 2.331 ( -0.283 -1.114 -0.674) 1.332 2.443 ( -0.325 0.555 0.020) 0.644 2.462 ( -1.174 -1.494 -2.347) 3.020 2.569 ( 1.410 0.858 0.676) 1.783 2.604 ( -0.657 -3.043 -0.131) 3.116 2.636 ( -0.376 -0.429 -0.296) 0.642 2.673 ( -4.153 -3.889 0.614) 5.723 3.060 ( 0.082 1.413 0.060) 1.417 3.066 ( -0.686 0.975 0.252) 1.219 3.132 ( 0.039 0.595 1.145) 1.291 3.158 ( -1.725 -1.608 0.003) 2.358 3.233 ( 0.420 0.707 -0.501) 0.963 3.241 ( -0.231 -0.216 -0.551) 0.635 3.297 ( 1.336 1.232 1.524) 2.371 3.311 ( 0.067 -0.238 1.311) 1.334 3.416 ( -0.199 0.924 -1.192) 1.521 3.427 ( -1.134 -0.212 -1.834) 2.167 3.466 ( -0.175 1.091 0.488) 1.208 3.501 ( -2.195 -1.842 -2.367) 3.717 3.712 ( 1.319 0.820 0.253) 1.574 3.713 ( 0.252 0.599 1.975) 2.079 3.807 ( 1.538 1.680 0.632) 2.364 3.826 ( -0.073 -0.276 0.173) 0.334 3.888 ( 1.041 1.381 0.330) 1.761 3.900 ( 0.437 0.288 -0.569) 0.774 3.973 ( 0.017 1.082 1.626) 1.953 3.998 ( -0.652 -1.274 -1.593) 2.141 4.137 ( -0.606 1.491 -0.305) 1.638 4.144 ( -0.510 1.149 -1.656) 2.079 4.218 ( -0.024 0.143 0.779) 0.792 4.222 ( 0.676 -0.225 -1.607) 1.758 4.351 ( 1.364 -1.100 1.761) 2.484 4.355 ( 1.365 0.144 -0.942) 1.665 4.388 ( -0.987 0.760 0.413) 1.313 4.400 ( -3.121 2.788 1.332) 4.391 4.457 ( 0.677 -4.499 -0.103) 4.551 4.471 ( -1.326 -3.965 0.982) 4.294 4.541 ( 0.154 -0.690 0.520) 0.878 4.555 ( -0.484 -1.850 -0.797) 2.072 4.646 ( 1.075 -0.751 0.862) 1.569 4.678 ( -1.167 -3.853 -1.443) 4.277 4.949 ( -1.023 1.011 0.574) 1.549 4.975 ( -2.967 -1.678 -0.713) 3.483 7.154 ( 0.153 0.293 0.010) 0.331 7.155 ( -0.050 0.116 0.038) 0.132 8.642 ( -2.423 2.291 -0.023) 3.335 8.646 ( -2.943 1.893 0.347) 3.517 9.635 ( 0.868 -0.624 -0.112) 1.075 9.644 ( -0.216 -1.615 0.060) 1.631 10.024 ( 2.475 4.533 -0.488) 5.188 10.051 ( -0.888 4.593 0.585) 4.715 10.103 ( 2.677 -3.761 -0.834) 4.691 10.128 ( -0.567 -3.348 0.345) 3.413 10.232 ( 0.933 0.375 0.125) 1.013 10.235 ( 0.798 0.076 0.003) 0.801 =================== 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 3/16464 10.0 10.950 9.299 11.079 0.000 -0.097 0.000 3/16464 20.0 3.434 3.383 3.770 0.000 0.037 0.000 3/16464 30.0 1.818 1.886 2.075 0.000 0.042 0.000 3/16464 40.0 1.185 1.260 1.374 0.000 0.036 0.000 3/16464 50.0 0.870 0.938 1.014 0.000 0.031 0.000 3/16464 60.0 0.689 0.748 0.804 0.000 0.027 0.000 3/16464 70.0 0.574 0.625 0.667 0.000 0.023 0.000 3/16464 80.0 0.495 0.540 0.572 0.000 0.020 0.000 3/16464 90.0 0.439 0.479 0.503 0.000 0.017 0.000 3/16464 100.0 0.396 0.431 0.449 0.000 0.015 0.000 3/16464 110.0 0.362 0.394 0.407 0.000 0.013 0.000 3/16464 120.0 0.335 0.363 0.373 0.000 0.012 0.000 3/16464 130.0 0.312 0.338 0.344 0.000 0.010 0.000 3/16464 140.0 0.292 0.316 0.320 0.000 0.009 0.000 3/16464 150.0 0.275 0.297 0.299 0.000 0.008 0.000 3/16464 160.0 0.260 0.281 0.281 0.000 0.008 0.000 3/16464 170.0 0.247 0.266 0.265 0.000 0.007 0.000 3/16464 180.0 0.235 0.253 0.250 0.000 0.006 0.000 3/16464 190.0 0.224 0.241 0.238 0.000 0.006 0.000 3/16464 200.0 0.214 0.230 0.226 0.000 0.005 0.000 3/16464 210.0 0.205 0.220 0.216 0.000 0.005 0.000 3/16464 220.0 0.197 0.211 0.206 0.000 0.004 0.000 3/16464 230.0 0.189 0.203 0.198 0.000 0.004 0.000 3/16464 240.0 0.182 0.195 0.190 0.000 0.004 0.000 3/16464 250.0 0.176 0.188 0.182 0.000 0.004 0.000 3/16464 260.0 0.169 0.181 0.176 0.000 0.003 0.000 3/16464 270.0 0.164 0.175 0.169 0.000 0.003 0.000 3/16464 280.0 0.158 0.169 0.163 0.000 0.003 0.000 3/16464 290.0 0.153 0.164 0.158 0.000 0.003 0.000 3/16464 300.0 0.149 0.159 0.153 0.000 0.003 0.000 3/16464 310.0 0.144 0.154 0.148 0.000 0.003 0.000 3/16464 320.0 0.140 0.149 0.143 0.000 0.002 0.000 3/16464 330.0 0.136 0.145 0.139 0.000 0.002 0.000 3/16464 340.0 0.132 0.141 0.135 0.000 0.002 0.000 3/16464 350.0 0.129 0.137 0.131 0.000 0.002 0.000 3/16464 360.0 0.125 0.133 0.128 0.000 0.002 0.000 3/16464 370.0 0.122 0.130 0.124 0.000 0.002 0.000 3/16464 380.0 0.119 0.127 0.121 0.000 0.002 0.000 3/16464 390.0 0.116 0.124 0.118 0.000 0.002 0.000 3/16464 400.0 0.113 0.121 0.115 0.000 0.002 0.000 3/16464 410.0 0.111 0.118 0.113 0.000 0.002 0.000 3/16464 420.0 0.108 0.115 0.110 0.000 0.002 0.000 3/16464 430.0 0.106 0.113 0.107 0.000 0.002 0.000 3/16464 440.0 0.104 0.110 0.105 0.000 0.002 0.000 3/16464 450.0 0.101 0.108 0.103 0.000 0.002 0.000 3/16464 460.0 0.099 0.106 0.100 0.000 0.001 0.000 3/16464 470.0 0.097 0.103 0.098 0.000 0.001 0.000 3/16464 480.0 0.095 0.101 0.096 0.000 0.001 0.000 3/16464 490.0 0.093 0.099 0.094 0.000 0.001 0.000 3/16464 500.0 0.092 0.097 0.093 0.000 0.001 0.000 3/16464 510.0 0.090 0.095 0.091 0.000 0.001 0.000 3/16464 520.0 0.088 0.094 0.089 0.000 0.001 0.000 3/16464 530.0 0.087 0.092 0.087 0.000 0.001 0.000 3/16464 540.0 0.085 0.090 0.086 0.000 0.001 0.000 3/16464 550.0 0.084 0.089 0.084 0.000 0.001 0.000 3/16464 560.0 0.082 0.087 0.083 0.000 0.001 0.000 3/16464 570.0 0.081 0.086 0.081 0.000 0.001 0.000 3/16464 580.0 0.079 0.084 0.080 0.000 0.001 0.000 3/16464 590.0 0.078 0.083 0.079 0.000 0.001 0.000 3/16464 600.0 0.077 0.081 0.077 0.000 0.001 0.000 3/16464 610.0 0.076 0.080 0.076 0.000 0.001 0.000 3/16464 620.0 0.074 0.079 0.075 0.000 0.001 0.000 3/16464 630.0 0.073 0.078 0.074 0.000 0.001 0.000 3/16464 640.0 0.072 0.076 0.072 0.000 0.001 0.000 3/16464 650.0 0.071 0.075 0.071 0.000 0.001 0.000 3/16464 660.0 0.070 0.074 0.070 0.000 0.001 0.000 3/16464 670.0 0.069 0.073 0.069 0.000 0.001 0.000 3/16464 680.0 0.068 0.072 0.068 0.000 0.001 0.000 3/16464 690.0 0.067 0.071 0.067 0.000 0.001 0.000 3/16464 700.0 0.066 0.070 0.066 0.000 0.001 0.000 3/16464 710.0 0.065 0.069 0.065 0.000 0.001 0.000 3/16464 720.0 0.064 0.068 0.064 0.000 0.001 0.000 3/16464 730.0 0.063 0.067 0.064 0.000 0.001 0.000 3/16464 740.0 0.062 0.066 0.063 0.000 0.001 0.000 3/16464 750.0 0.062 0.065 0.062 0.000 0.001 0.000 3/16464 760.0 0.061 0.065 0.061 0.000 0.001 0.000 3/16464 770.0 0.060 0.064 0.060 0.000 0.001 0.000 3/16464 780.0 0.059 0.063 0.060 0.000 0.001 0.000 3/16464 790.0 0.059 0.062 0.059 0.000 0.001 0.000 3/16464 800.0 0.058 0.061 0.058 0.000 0.001 0.000 3/16464 810.0 0.057 0.061 0.057 0.000 0.001 0.000 3/16464 820.0 0.056 0.060 0.057 0.000 0.001 0.000 3/16464 830.0 0.056 0.059 0.056 0.000 0.001 0.000 3/16464 840.0 0.055 0.058 0.055 0.000 0.001 0.000 3/16464 850.0 0.055 0.058 0.055 0.000 0.001 0.000 3/16464 860.0 0.054 0.057 0.054 0.000 0.001 0.000 3/16464 870.0 0.053 0.056 0.053 0.000 0.001 0.000 3/16464 880.0 0.053 0.056 0.053 0.000 0.001 0.000 3/16464 890.0 0.052 0.055 0.052 0.000 0.001 0.000 3/16464 900.0 0.052 0.055 0.052 0.000 0.001 0.000 3/16464 910.0 0.051 0.054 0.051 0.000 0.001 0.000 3/16464 920.0 0.050 0.053 0.051 0.000 0.001 0.000 3/16464 930.0 0.050 0.053 0.050 0.000 0.001 0.000 3/16464 940.0 0.049 0.052 0.049 0.000 0.001 0.000 3/16464 950.0 0.049 0.052 0.049 0.000 0.001 0.000 3/16464 960.0 0.048 0.051 0.048 0.000 0.001 0.000 3/16464 970.0 0.048 0.051 0.048 0.000 0.001 0.000 3/16464 980.0 0.047 0.050 0.047 0.000 0.001 0.000 3/16464 990.0 0.047 0.050 0.047 0.000 0.001 0.000 3/16464 1000.0 0.046 0.049 0.047 0.000 0.001 0.000 3/16464 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:32:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|