----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:15:19]------------------------- 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: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.200354519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.126502500000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.407732950000000 Atomic positions (fractional): *1 Ca 0.69822148999834 0.82987680677163 0.10419831016091 40.078 2 Ca 0.80177851000166 0.67012319322837 0.60419831016091 40.078 3 Ca 0.19822148999834 0.67012319322837 0.89580168983909 40.078 4 Ca 0.30177851000166 0.82987680677163 0.39580168983909 40.078 5 Ca 0.30177851000166 0.17012319322837 0.89580168983909 40.078 6 Ca 0.19822148999834 0.32987680677163 0.39580168983909 40.078 7 Ca 0.80177851000166 0.32987680677163 0.10419831016091 40.078 8 Ca 0.69822148999834 0.17012319322837 0.60419831016091 40.078 *9 Ca 0.00000000000000 0.63629590431160 0.25000000000000 40.078 10 Ca 0.50000000000000 0.86370409568840 0.75000000000000 40.078 11 Ca 0.00000000000000 0.36370409568840 0.75000000000000 40.078 12 Ca 0.50000000000000 0.13629590431160 0.25000000000000 40.078 *13 Ca 0.64070492319427 0.87453287859249 0.42567274150590 40.078 14 Ca 0.85929507680573 0.62546712140751 0.92567274150590 40.078 15 Ca 0.14070492319427 0.62546712140751 0.57432725849410 40.078 16 Ca 0.35929507680573 0.87453287859249 0.07432725849410 40.078 17 Ca 0.35929507680573 0.12546712140751 0.57432725849410 40.078 18 Ca 0.14070492319427 0.37453287859249 0.07432725849410 40.078 19 Ca 0.85929507680573 0.37453287859249 0.42567274150590 40.078 20 Ca 0.64070492319427 0.12546712140751 0.92567274150590 40.078 *21 Al 0.64518382936796 0.58992816180324 0.26349171894111 26.982 22 Al 0.85481617063204 0.91007183819676 0.76349171894111 26.982 23 Al 0.14518382936795 0.91007183819676 0.73650828105889 26.982 24 Al 0.35481617063205 0.58992816180324 0.23650828105889 26.982 25 Al 0.35481617063205 0.41007183819676 0.73650828105889 26.982 26 Al 0.14518382936795 0.08992816180324 0.23650828105889 26.982 27 Al 0.85481617063204 0.08992816180324 0.26349171894111 26.982 28 Al 0.64518382936796 0.41007183819676 0.76349171894111 26.982 *29 Si 0.99369136721758 0.90520779079543 0.07066784087759 28.085 30 Si 0.50630863278242 0.59479220920457 0.57066784087759 28.085 31 Si 0.49369136721758 0.59479220920457 0.92933215912241 28.085 32 Si 0.00630863278242 0.90520779079543 0.42933215912241 28.085 33 Si 0.00630863278242 0.09479220920457 0.92933215912241 28.085 34 Si 0.49369136721758 0.40520779079543 0.42933215912241 28.085 35 Si 0.50630863278242 0.40520779079543 0.07066784087759 28.085 36 Si 0.99369136721758 0.09479220920457 0.57066784087759 28.085 *37 N 0.95252396837890 0.63819258277731 0.09062163005872 14.007 38 N 0.54747603162110 0.86180741722269 0.59062163005872 14.007 39 N 0.45252396837890 0.86180741722269 0.90937836994128 14.007 40 N 0.04747603162110 0.63819258277731 0.40937836994128 14.007 41 N 0.04747603162110 0.36180741722269 0.90937836994128 14.007 42 N 0.45252396837890 0.13819258277731 0.40937836994128 14.007 43 N 0.54747603162110 0.13819258277731 0.09062163005872 14.007 44 N 0.95252396837890 0.36180741722269 0.59062163005872 14.007 *45 N 0.85787440684883 0.98663293398927 0.49470558770465 14.007 46 N 0.64212559315117 0.51336706601073 0.99470558770465 14.007 47 N 0.35787440684883 0.51336706601073 0.50529441229535 14.007 48 N 0.14212559315117 0.98663293398927 0.00529441229535 14.007 49 N 0.14212559315117 0.01336706601073 0.50529441229535 14.007 50 N 0.35787440684883 0.48663293398927 0.00529441229535 14.007 51 N 0.64212559315117 0.48663293398927 0.49470558770465 14.007 52 N 0.85787440684883 0.01336706601073 0.99470558770465 14.007 *53 N 0.72184231847891 0.86702390270744 0.26786853810834 14.007 54 N 0.77815768152109 0.63297609729256 0.76786853810834 14.007 55 N 0.22184231847891 0.63297609729256 0.73213146189166 14.007 56 N 0.27815768152109 0.86702390270744 0.23213146189166 14.007 57 N 0.27815768152109 0.13297609729256 0.73213146189166 14.007 58 N 0.22184231847891 0.36702390270744 0.23213146189166 14.007 59 N 0.77815768152109 0.36702390270744 0.26786853810834 14.007 60 N 0.72184231847891 0.13297609729256 0.76786853810834 14.007 *61 N 0.52004373216793 0.57360665575029 0.16132373226794 14.007 62 N 0.97995626783207 0.92639334424971 0.66132373226795 14.007 63 N 0.02004373216793 0.92639334424971 0.83867626773205 14.007 64 N 0.47995626783207 0.57360665575029 0.33867626773206 14.007 65 N 0.47995626783207 0.42639334424971 0.83867626773205 14.007 66 N 0.02004373216793 0.07360665575029 0.33867626773206 14.007 67 N 0.97995626783207 0.07360665575029 0.16132373226794 14.007 68 N 0.52004373216793 0.42639334424971 0.66132373226795 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.200354519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.126502500000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.407732950000000 Atomic positions (fractional): *1 Ca 0.69822148999834 0.82987680677163 0.10419831016091 40.078 > 1 2 Ca 0.80177851000166 0.67012319322837 0.60419831016091 40.078 > 2 3 Ca 0.19822148999834 0.67012319322837 0.89580168983909 40.078 > 3 4 Ca 0.30177851000166 0.82987680677163 0.39580168983909 40.078 > 4 5 Ca 0.30177851000166 0.17012319322837 0.89580168983909 40.078 > 5 6 Ca 0.19822148999834 0.32987680677163 0.39580168983909 40.078 > 6 7 Ca 0.80177851000166 0.32987680677163 0.10419831016091 40.078 > 7 8 Ca 0.69822148999834 0.17012319322837 0.60419831016091 40.078 > 8 *9 Ca 0.00000000000000 0.63629590431160 0.25000000000000 40.078 > 9 10 Ca 0.50000000000000 0.86370409568840 0.75000000000000 40.078 > 10 11 Ca 0.00000000000000 0.36370409568840 0.75000000000000 40.078 > 11 12 Ca 0.50000000000000 0.13629590431160 0.25000000000000 40.078 > 12 *13 Ca 0.64070492319427 0.87453287859249 0.42567274150590 40.078 > 13 14 Ca 0.85929507680573 0.62546712140751 0.92567274150590 40.078 > 14 15 Ca 0.14070492319427 0.62546712140751 0.57432725849410 40.078 > 15 16 Ca 0.35929507680573 0.87453287859249 0.07432725849410 40.078 > 16 17 Ca 0.35929507680573 0.12546712140751 0.57432725849410 40.078 > 17 18 Ca 0.14070492319427 0.37453287859249 0.07432725849410 40.078 > 18 19 Ca 0.85929507680573 0.37453287859249 0.42567274150590 40.078 > 19 20 Ca 0.64070492319427 0.12546712140751 0.92567274150590 40.078 > 20 *21 Al 0.64518382936796 0.58992816180324 0.26349171894111 26.982 > 21 22 Al 0.85481617063204 0.91007183819676 0.76349171894111 26.982 > 22 23 Al 0.14518382936795 0.91007183819676 0.73650828105889 26.982 > 23 24 Al 0.35481617063205 0.58992816180324 0.23650828105889 26.982 > 24 25 Al 0.35481617063205 0.41007183819676 0.73650828105889 26.982 > 25 26 Al 0.14518382936795 0.08992816180324 0.23650828105889 26.982 > 26 27 Al 0.85481617063204 0.08992816180324 0.26349171894111 26.982 > 27 28 Al 0.64518382936796 0.41007183819676 0.76349171894111 26.982 > 28 *29 Si 0.99369136721758 0.90520779079543 0.07066784087759 28.085 > 29 30 Si 0.50630863278242 0.59479220920457 0.57066784087759 28.085 > 30 31 Si 0.49369136721758 0.59479220920457 0.92933215912241 28.085 > 31 32 Si 0.00630863278242 0.90520779079543 0.42933215912241 28.085 > 32 33 Si 0.00630863278242 0.09479220920457 0.92933215912241 28.085 > 33 34 Si 0.49369136721758 0.40520779079543 0.42933215912241 28.085 > 34 35 Si 0.50630863278242 0.40520779079543 0.07066784087759 28.085 > 35 36 Si 0.99369136721758 0.09479220920457 0.57066784087759 28.085 > 36 *37 N 0.95252396837890 0.63819258277731 0.09062163005872 14.007 > 37 38 N 0.54747603162110 0.86180741722269 0.59062163005872 14.007 > 38 39 N 0.45252396837890 0.86180741722269 0.90937836994128 14.007 > 39 40 N 0.04747603162110 0.63819258277731 0.40937836994128 14.007 > 40 41 N 0.04747603162110 0.36180741722269 0.90937836994128 14.007 > 41 42 N 0.45252396837890 0.13819258277731 0.40937836994128 14.007 > 42 43 N 0.54747603162110 0.13819258277731 0.09062163005872 14.007 > 43 44 N 0.95252396837890 0.36180741722269 0.59062163005872 14.007 > 44 *45 N 0.85787440684883 0.98663293398927 0.49470558770465 14.007 > 45 46 N 0.64212559315117 0.51336706601073 0.99470558770465 14.007 > 46 47 N 0.35787440684883 0.51336706601073 0.50529441229535 14.007 > 47 48 N 0.14212559315117 0.98663293398927 0.00529441229535 14.007 > 48 49 N 0.14212559315117 0.01336706601073 0.50529441229535 14.007 > 49 50 N 0.35787440684883 0.48663293398927 0.00529441229535 14.007 > 50 51 N 0.64212559315117 0.48663293398927 0.49470558770465 14.007 > 51 52 N 0.85787440684883 0.01336706601073 0.99470558770465 14.007 > 52 *53 N 0.72184231847891 0.86702390270744 0.26786853810834 14.007 > 53 54 N 0.77815768152109 0.63297609729256 0.76786853810834 14.007 > 54 55 N 0.22184231847891 0.63297609729256 0.73213146189166 14.007 > 55 56 N 0.27815768152109 0.86702390270744 0.23213146189166 14.007 > 56 57 N 0.27815768152109 0.13297609729256 0.73213146189166 14.007 > 57 58 N 0.22184231847891 0.36702390270744 0.23213146189166 14.007 > 58 59 N 0.77815768152109 0.36702390270744 0.26786853810834 14.007 > 59 60 N 0.72184231847891 0.13297609729256 0.76786853810834 14.007 > 60 *61 N 0.52004373216793 0.57360665575029 0.16132373226794 14.007 > 61 62 N 0.97995626783207 0.92639334424971 0.66132373226795 14.007 > 62 63 N 0.02004373216793 0.92639334424971 0.83867626773205 14.007 > 63 64 N 0.47995626783207 0.57360665575029 0.33867626773206 14.007 > 64 65 N 0.47995626783207 0.42639334424971 0.83867626773205 14.007 > 65 66 N 0.02004373216793 0.07360665575029 0.33867626773206 14.007 > 66 67 N 0.97995626783207 0.07360665575029 0.16132373226794 14.007 > 67 68 N 0.52004373216793 0.42639334424971 0.66132373226795 14.007 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.200354519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.253005000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.407732950000000 Atomic positions (fractional): *1 Ca 0.69822148999834 0.41493840338582 0.10419831016091 40.078 > 1 2 Ca 0.69822148999834 0.91493840338582 0.10419831016091 40.078 > 1 3 Ca 0.80177851000166 0.33506159661418 0.60419831016091 40.078 > 2 4 Ca 0.80177851000166 0.83506159661418 0.60419831016091 40.078 > 2 5 Ca 0.19822148999834 0.33506159661418 0.89580168983909 40.078 > 3 6 Ca 0.19822148999834 0.83506159661418 0.89580168983909 40.078 > 3 7 Ca 0.30177851000166 0.41493840338582 0.39580168983909 40.078 > 4 8 Ca 0.30177851000166 0.91493840338582 0.39580168983909 40.078 > 4 9 Ca 0.30177851000166 0.08506159661418 0.89580168983909 40.078 > 5 10 Ca 0.30177851000166 0.58506159661418 0.89580168983909 40.078 > 5 11 Ca 0.19822148999834 0.16493840338582 0.39580168983909 40.078 > 6 12 Ca 0.19822148999834 0.66493840338582 0.39580168983909 40.078 > 6 13 Ca 0.80177851000166 0.16493840338582 0.10419831016091 40.078 > 7 14 Ca 0.80177851000166 0.66493840338582 0.10419831016091 40.078 > 7 15 Ca 0.69822148999834 0.08506159661418 0.60419831016091 40.078 > 8 16 Ca 0.69822148999834 0.58506159661418 0.60419831016091 40.078 > 8 *17 Ca 0.00000000000000 0.31814795215580 0.25000000000000 40.078 > 9 18 Ca 0.00000000000000 0.81814795215580 0.25000000000000 40.078 > 9 19 Ca 0.50000000000000 0.43185204784420 0.75000000000000 40.078 > 10 20 Ca 0.50000000000000 0.93185204784420 0.75000000000000 40.078 > 10 21 Ca 0.00000000000000 0.18185204784420 0.75000000000000 40.078 > 11 22 Ca 0.00000000000000 0.68185204784420 0.75000000000000 40.078 > 11 23 Ca 0.50000000000000 0.06814795215580 0.25000000000000 40.078 > 12 24 Ca 0.50000000000000 0.56814795215580 0.25000000000000 40.078 > 12 *25 Ca 0.64070492319427 0.43726643929624 0.42567274150590 40.078 > 13 26 Ca 0.64070492319427 0.93726643929624 0.42567274150590 40.078 > 13 27 Ca 0.85929507680573 0.31273356070376 0.92567274150590 40.078 > 14 28 Ca 0.85929507680573 0.81273356070376 0.92567274150590 40.078 > 14 29 Ca 0.14070492319427 0.31273356070376 0.57432725849410 40.078 > 15 30 Ca 0.14070492319427 0.81273356070376 0.57432725849410 40.078 > 15 31 Ca 0.35929507680573 0.43726643929624 0.07432725849410 40.078 > 16 32 Ca 0.35929507680573 0.93726643929624 0.07432725849410 40.078 > 16 33 Ca 0.35929507680573 0.06273356070376 0.57432725849410 40.078 > 17 34 Ca 0.35929507680573 0.56273356070376 0.57432725849410 40.078 > 17 35 Ca 0.14070492319427 0.18726643929624 0.07432725849410 40.078 > 18 36 Ca 0.14070492319427 0.68726643929624 0.07432725849410 40.078 > 18 37 Ca 0.85929507680573 0.18726643929624 0.42567274150590 40.078 > 19 38 Ca 0.85929507680573 0.68726643929624 0.42567274150590 40.078 > 19 39 Ca 0.64070492319427 0.06273356070376 0.92567274150590 40.078 > 20 40 Ca 0.64070492319427 0.56273356070376 0.92567274150590 40.078 > 20 *41 Al 0.64518382936796 0.29496408090162 0.26349171894111 26.982 > 21 42 Al 0.64518382936796 0.79496408090162 0.26349171894111 26.982 > 21 43 Al 0.85481617063204 0.45503591909838 0.76349171894111 26.982 > 22 44 Al 0.85481617063204 0.95503591909838 0.76349171894111 26.982 > 22 45 Al 0.14518382936795 0.45503591909838 0.73650828105889 26.982 > 23 46 Al 0.14518382936795 0.95503591909838 0.73650828105889 26.982 > 23 47 Al 0.35481617063205 0.29496408090162 0.23650828105889 26.982 > 24 48 Al 0.35481617063205 0.79496408090162 0.23650828105889 26.982 > 24 49 Al 0.35481617063205 0.20503591909838 0.73650828105889 26.982 > 25 50 Al 0.35481617063205 0.70503591909838 0.73650828105889 26.982 > 25 51 Al 0.14518382936795 0.04496408090162 0.23650828105889 26.982 > 26 52 Al 0.14518382936795 0.54496408090162 0.23650828105889 26.982 > 26 53 Al 0.85481617063204 0.04496408090162 0.26349171894111 26.982 > 27 54 Al 0.85481617063204 0.54496408090162 0.26349171894111 26.982 > 27 55 Al 0.64518382936796 0.20503591909838 0.76349171894111 26.982 > 28 56 Al 0.64518382936796 0.70503591909838 0.76349171894111 26.982 > 28 *57 Si 0.99369136721758 0.45260389539772 0.07066784087759 28.085 > 29 58 Si 0.99369136721758 0.95260389539772 0.07066784087759 28.085 > 29 59 Si 0.50630863278242 0.29739610460228 0.57066784087759 28.085 > 30 60 Si 0.50630863278242 0.79739610460228 0.57066784087759 28.085 > 30 61 Si 0.49369136721758 0.29739610460228 0.92933215912241 28.085 > 31 62 Si 0.49369136721758 0.79739610460228 0.92933215912241 28.085 > 31 63 Si 0.00630863278242 0.45260389539772 0.42933215912241 28.085 > 32 64 Si 0.00630863278242 0.95260389539772 0.42933215912241 28.085 > 32 65 Si 0.00630863278242 0.04739610460228 0.92933215912241 28.085 > 33 66 Si 0.00630863278242 0.54739610460228 0.92933215912241 28.085 > 33 67 Si 0.49369136721758 0.20260389539772 0.42933215912241 28.085 > 34 68 Si 0.49369136721758 0.70260389539772 0.42933215912241 28.085 > 34 69 Si 0.50630863278242 0.20260389539772 0.07066784087759 28.085 > 35 70 Si 0.50630863278242 0.70260389539772 0.07066784087759 28.085 > 35 71 Si 0.99369136721758 0.04739610460228 0.57066784087759 28.085 > 36 72 Si 0.99369136721758 0.54739610460228 0.57066784087759 28.085 > 36 *73 N 0.95252396837890 0.31909629138865 0.09062163005872 14.007 > 37 74 N 0.95252396837890 0.81909629138865 0.09062163005872 14.007 > 37 75 N 0.54747603162110 0.43090370861135 0.59062163005872 14.007 > 38 76 N 0.54747603162110 0.93090370861135 0.59062163005872 14.007 > 38 77 N 0.45252396837890 0.43090370861135 0.90937836994128 14.007 > 39 78 N 0.45252396837890 0.93090370861135 0.90937836994128 14.007 > 39 79 N 0.04747603162110 0.31909629138865 0.40937836994128 14.007 > 40 80 N 0.04747603162110 0.81909629138865 0.40937836994128 14.007 > 40 81 N 0.04747603162110 0.18090370861135 0.90937836994128 14.007 > 41 82 N 0.04747603162110 0.68090370861135 0.90937836994128 14.007 > 41 83 N 0.45252396837890 0.06909629138865 0.40937836994128 14.007 > 42 84 N 0.45252396837890 0.56909629138865 0.40937836994128 14.007 > 42 85 N 0.54747603162110 0.06909629138865 0.09062163005872 14.007 > 43 86 N 0.54747603162110 0.56909629138865 0.09062163005872 14.007 > 43 87 N 0.95252396837890 0.18090370861135 0.59062163005872 14.007 > 44 88 N 0.95252396837890 0.68090370861135 0.59062163005872 14.007 > 44 *89 N 0.85787440684883 0.49331646699464 0.49470558770465 14.007 > 45 90 N 0.85787440684883 0.99331646699464 0.49470558770465 14.007 > 45 91 N 0.64212559315117 0.25668353300536 0.99470558770465 14.007 > 46 92 N 0.64212559315117 0.75668353300536 0.99470558770465 14.007 > 46 93 N 0.35787440684883 0.25668353300536 0.50529441229535 14.007 > 47 94 N 0.35787440684883 0.75668353300536 0.50529441229535 14.007 > 47 95 N 0.14212559315117 0.49331646699464 0.00529441229535 14.007 > 48 96 N 0.14212559315117 0.99331646699464 0.00529441229535 14.007 > 48 97 N 0.14212559315117 0.00668353300536 0.50529441229535 14.007 > 49 98 N 0.14212559315117 0.50668353300536 0.50529441229535 14.007 > 49 99 N 0.35787440684883 0.24331646699464 0.00529441229535 14.007 > 50 100 N 0.35787440684883 0.74331646699464 0.00529441229535 14.007 > 50 101 N 0.64212559315117 0.24331646699464 0.49470558770465 14.007 > 51 102 N 0.64212559315117 0.74331646699464 0.49470558770465 14.007 > 51 103 N 0.85787440684883 0.00668353300536 0.99470558770465 14.007 > 52 104 N 0.85787440684883 0.50668353300536 0.99470558770465 14.007 > 52 *105 N 0.72184231847891 0.43351195135372 0.26786853810834 14.007 > 53 106 N 0.72184231847891 0.93351195135372 0.26786853810834 14.007 > 53 107 N 0.77815768152109 0.31648804864628 0.76786853810834 14.007 > 54 108 N 0.77815768152109 0.81648804864628 0.76786853810834 14.007 > 54 109 N 0.22184231847891 0.31648804864628 0.73213146189166 14.007 > 55 110 N 0.22184231847891 0.81648804864628 0.73213146189166 14.007 > 55 111 N 0.27815768152109 0.43351195135372 0.23213146189166 14.007 > 56 112 N 0.27815768152109 0.93351195135372 0.23213146189166 14.007 > 56 113 N 0.27815768152109 0.06648804864628 0.73213146189166 14.007 > 57 114 N 0.27815768152109 0.56648804864628 0.73213146189166 14.007 > 57 115 N 0.22184231847891 0.18351195135372 0.23213146189166 14.007 > 58 116 N 0.22184231847891 0.68351195135372 0.23213146189166 14.007 > 58 117 N 0.77815768152109 0.18351195135372 0.26786853810834 14.007 > 59 118 N 0.77815768152109 0.68351195135372 0.26786853810834 14.007 > 59 119 N 0.72184231847891 0.06648804864628 0.76786853810834 14.007 > 60 120 N 0.72184231847891 0.56648804864628 0.76786853810834 14.007 > 60 *121 N 0.52004373216793 0.28680332787514 0.16132373226794 14.007 > 61 122 N 0.52004373216793 0.78680332787514 0.16132373226794 14.007 > 61 123 N 0.97995626783207 0.46319667212486 0.66132373226795 14.007 > 62 124 N 0.97995626783207 0.96319667212486 0.66132373226795 14.007 > 62 125 N 0.02004373216793 0.46319667212486 0.83867626773205 14.007 > 63 126 N 0.02004373216793 0.96319667212486 0.83867626773205 14.007 > 63 127 N 0.47995626783207 0.28680332787514 0.33867626773206 14.007 > 64 128 N 0.47995626783207 0.78680332787514 0.33867626773206 14.007 > 64 129 N 0.47995626783207 0.21319667212486 0.83867626773205 14.007 > 65 130 N 0.47995626783207 0.71319667212486 0.83867626773205 14.007 > 65 131 N 0.02004373216793 0.03680332787514 0.33867626773206 14.007 > 66 132 N 0.02004373216793 0.53680332787514 0.33867626773206 14.007 > 66 133 N 0.97995626783207 0.03680332787514 0.16132373226794 14.007 > 67 134 N 0.97995626783207 0.53680332787514 0.16132373226794 14.007 > 67 135 N 0.52004373216793 0.21319667212486 0.66132373226795 14.007 > 68 136 N 0.52004373216793 0.71319667212486 0.66132373226795 14.007 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1733761 0.0000000 0.0000000 0.0000000 5.3989688 0.0000000 0.0000000 0.0000000 5.2517294 -------------------------- Born effective charges -------------------------- 1 Ca 2.4850511 0.0590166 -0.1368238 -0.0440761 2.4100656 -0.0312784 -0.0708257 -0.0725923 2.2755337 2 Ca 2.4850511 0.0590166 0.1368238 -0.0440761 2.4100656 0.0312784 0.0708257 0.0725923 2.2755337 3 Ca 2.4850511 -0.0590166 0.1368238 0.0440761 2.4100656 -0.0312784 0.0708257 -0.0725923 2.2755337 4 Ca 2.4850511 -0.0590166 -0.1368238 0.0440761 2.4100656 0.0312784 -0.0708257 0.0725923 2.2755337 5 Ca 2.4850511 0.0590166 -0.1368238 -0.0440761 2.4100656 -0.0312784 -0.0708257 -0.0725923 2.2755337 6 Ca 2.4850511 0.0590166 0.1368238 -0.0440761 2.4100656 0.0312784 0.0708257 0.0725923 2.2755337 7 Ca 2.4850511 -0.0590166 0.1368238 0.0440761 2.4100656 -0.0312784 0.0708257 -0.0725923 2.2755337 8 Ca 2.4850511 -0.0590166 -0.1368238 0.0440761 2.4100656 0.0312784 -0.0708257 0.0725923 2.2755337 9 Ca 2.3989190 0.0000000 0.0943810 0.0000000 2.4269785 0.0000000 0.1427761 0.0000000 2.4061435 10 Ca 2.3989190 0.0000000 -0.0943810 0.0000000 2.4269785 0.0000000 -0.1427761 0.0000000 2.4061435 11 Ca 2.3989190 0.0000000 0.0943810 0.0000000 2.4269785 0.0000000 0.1427761 0.0000000 2.4061435 12 Ca 2.3989190 0.0000000 -0.0943810 0.0000000 2.4269785 0.0000000 -0.1427761 0.0000000 2.4061435 13 Ca 2.3582691 0.0874509 0.0466498 0.0299960 2.2604086 -0.1496599 0.0552793 -0.0517579 2.5054427 14 Ca 2.3582691 0.0874509 -0.0466498 0.0299960 2.2604086 0.1496599 -0.0552793 0.0517579 2.5054427 15 Ca 2.3582691 -0.0874509 -0.0466498 -0.0299960 2.2604086 -0.1496599 -0.0552793 -0.0517579 2.5054427 16 Ca 2.3582691 -0.0874509 0.0466498 -0.0299960 2.2604086 0.1496599 0.0552793 0.0517579 2.5054427 17 Ca 2.3582691 0.0874509 0.0466498 0.0299960 2.2604086 -0.1496599 0.0552793 -0.0517579 2.5054427 18 Ca 2.3582691 0.0874509 -0.0466498 0.0299960 2.2604086 0.1496599 -0.0552793 0.0517579 2.5054427 19 Ca 2.3582691 -0.0874509 -0.0466498 -0.0299960 2.2604086 -0.1496599 -0.0552793 -0.0517579 2.5054427 20 Ca 2.3582691 -0.0874509 0.0466498 -0.0299960 2.2604086 0.1496599 0.0552793 0.0517579 2.5054427 21 Al 2.5875271 0.1116789 -0.0882405 0.1110068 2.5946038 0.0086021 -0.0408425 0.0098670 2.1024267 22 Al 2.5875271 0.1116789 0.0882405 0.1110068 2.5946038 -0.0086021 0.0408425 -0.0098670 2.1024267 23 Al 2.5875271 -0.1116789 0.0882405 -0.1110068 2.5946038 0.0086021 0.0408425 0.0098670 2.1024267 24 Al 2.5875271 -0.1116789 -0.0882405 -0.1110068 2.5946038 -0.0086021 -0.0408425 -0.0098670 2.1024267 25 Al 2.5875271 0.1116789 -0.0882405 0.1110068 2.5946038 0.0086021 -0.0408425 0.0098670 2.1024267 26 Al 2.5875271 0.1116789 0.0882405 0.1110068 2.5946038 -0.0086021 0.0408425 -0.0098670 2.1024267 27 Al 2.5875271 -0.1116789 0.0882405 -0.1110068 2.5946038 0.0086021 0.0408425 0.0098670 2.1024267 28 Al 2.5875271 -0.1116789 -0.0882405 -0.1110068 2.5946038 -0.0086021 -0.0408425 -0.0098670 2.1024267 29 Si 2.0667979 0.3211447 -0.1510926 0.2873763 2.9174429 -0.2090200 -0.0444546 -0.1990942 3.1277170 30 Si 2.0667979 0.3211447 0.1510926 0.2873763 2.9174429 0.2090200 0.0444546 0.1990942 3.1277170 31 Si 2.0667979 -0.3211447 0.1510926 -0.2873763 2.9174429 -0.2090200 0.0444546 -0.1990942 3.1277170 32 Si 2.0667979 -0.3211447 -0.1510926 -0.2873763 2.9174429 0.2090200 -0.0444546 0.1990942 3.1277170 33 Si 2.0667979 0.3211447 -0.1510926 0.2873763 2.9174429 -0.2090200 -0.0444546 -0.1990942 3.1277170 34 Si 2.0667979 0.3211447 0.1510926 0.2873763 2.9174429 0.2090200 0.0444546 0.1990942 3.1277170 35 Si 2.0667979 -0.3211447 0.1510926 -0.2873763 2.9174429 -0.2090200 0.0444546 -0.1990942 3.1277170 36 Si 2.0667979 -0.3211447 -0.1510926 -0.2873763 2.9174429 0.2090200 -0.0444546 0.1990942 3.1277170 37 N -2.4435790 -0.1850391 0.0635603 -0.2210533 -3.4679147 0.1552484 0.0650487 0.1756794 -2.5659067 38 N -2.4435790 -0.1850391 -0.0635603 -0.2210533 -3.4679147 -0.1552484 -0.0650487 -0.1756794 -2.5659067 39 N -2.4435790 0.1850391 -0.0635603 0.2210533 -3.4679147 0.1552484 -0.0650487 0.1756794 -2.5659067 40 N -2.4435790 0.1850391 0.0635603 0.2210533 -3.4679147 -0.1552484 0.0650487 -0.1756794 -2.5659067 41 N -2.4435790 -0.1850391 0.0635603 -0.2210533 -3.4679147 0.1552484 0.0650487 0.1756794 -2.5659067 42 N -2.4435790 -0.1850391 -0.0635603 -0.2210533 -3.4679147 -0.1552484 -0.0650487 -0.1756794 -2.5659067 43 N -2.4435790 0.1850391 -0.0635603 0.2210533 -3.4679147 0.1552484 -0.0650487 0.1756794 -2.5659067 44 N -2.4435790 0.1850391 0.0635603 0.2210533 -3.4679147 -0.1552484 0.0650487 -0.1756794 -2.5659067 45 N -3.0237258 0.0256636 0.1605789 -0.1040341 -2.2662454 -0.2683484 0.0320568 -0.4268586 -2.8341419 46 N -3.0237258 0.0256636 -0.1605789 -0.1040341 -2.2662454 0.2683484 -0.0320568 0.4268586 -2.8341419 47 N -3.0237258 -0.0256636 -0.1605789 0.1040341 -2.2662454 -0.2683484 -0.0320568 -0.4268586 -2.8341419 48 N -3.0237258 -0.0256636 0.1605789 0.1040341 -2.2662454 0.2683484 0.0320568 0.4268586 -2.8341419 49 N -3.0237258 0.0256636 0.1605789 -0.1040341 -2.2662454 -0.2683484 0.0320568 -0.4268586 -2.8341419 50 N -3.0237258 0.0256636 -0.1605789 -0.1040341 -2.2662454 0.2683484 -0.0320568 0.4268586 -2.8341419 51 N -3.0237258 -0.0256636 -0.1605789 0.1040341 -2.2662454 -0.2683484 -0.0320568 -0.4268586 -2.8341419 52 N -3.0237258 -0.0256636 0.1605789 0.1040341 -2.2662454 0.2683484 0.0320568 0.4268586 -2.8341419 53 N -2.6513726 -0.4078953 0.0605374 -0.3983861 -3.1962630 0.0514559 0.0939935 0.0059778 -2.4437088 54 N -2.6513726 -0.4078953 -0.0605374 -0.3983861 -3.1962630 -0.0514559 -0.0939935 -0.0059778 -2.4437088 55 N -2.6513726 0.4078953 -0.0605374 0.3983861 -3.1962630 0.0514559 -0.0939935 0.0059778 -2.4437088 56 N -2.6513726 0.4078953 0.0605374 0.3983861 -3.1962630 -0.0514559 0.0939935 -0.0059778 -2.4437088 57 N -2.6513726 -0.4078953 0.0605374 -0.3983861 -3.1962630 0.0514559 0.0939935 0.0059778 -2.4437088 58 N -2.6513726 -0.4078953 -0.0605374 -0.3983861 -3.1962630 -0.0514559 -0.0939935 -0.0059778 -2.4437088 59 N -2.6513726 0.4078953 -0.0605374 0.3983861 -3.1962630 0.0514559 -0.0939935 0.0059778 -2.4437088 60 N -2.6513726 0.4078953 0.0605374 0.3983861 -3.1962630 -0.0514559 0.0939935 -0.0059778 -2.4437088 61 N -2.5784272 -0.0828419 0.0270277 -0.0470579 -2.4655870 -0.3361165 0.0721639 -0.2544971 -3.3704345 62 N -2.5784272 -0.0828419 -0.0270277 -0.0470579 -2.4655870 0.3361165 -0.0721639 0.2544971 -3.3704345 63 N -2.5784272 0.0828419 -0.0270277 0.0470579 -2.4655870 -0.3361165 -0.0721639 -0.2544971 -3.3704345 64 N -2.5784272 0.0828419 0.0270277 0.0470579 -2.4655870 0.3361165 0.0721639 0.2544971 -3.3704345 65 N -2.5784272 -0.0828419 0.0270277 -0.0470579 -2.4655870 -0.3361165 0.0721639 -0.2544971 -3.3704345 66 N -2.5784272 -0.0828419 -0.0270277 -0.0470579 -2.4655870 0.3361165 -0.0721639 0.2544971 -3.3704345 67 N -2.5784272 0.0828419 -0.0270277 0.0470579 -2.4655870 -0.3361165 -0.0721639 -0.2544971 -3.3704345 68 N -2.5784272 0.0828419 0.0270277 0.0470579 -2.4655870 0.3361165 0.0721639 0.2544971 -3.3704345 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1160 / 1160 (1) 142 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 136 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (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: 1152 / 1152 (1) 140 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 125 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 125 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 125 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5357, 5280), data: False |-- (631, 622), data: False |-- (631, 6), data: (631, 15) @ (15, 6) |-- (131, 125), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 6), data: (631, 15) @ (15, 6) |-- (131, 125), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 6), data: (631, 15) @ (15, 6) |-- (131, 125), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 26), data: (1152, 42) @ (42, 26) |-- (152, 140), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 31), data: (1152, 47) @ (47, 31) |-- (152, 136), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 235), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1160, 1142), data: False |-- (1160, 32), data: (1160, 50) @ (50, 32) |-- (160, 142), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.576 Solver_block: 200 / 1040 - Time: 1.395 Solver_block: 300 / 1040 - Time: 1.399 Solver_block: 400 / 1040 - Time: 1.400 Solver_block: 500 / 1040 - Time: 1.397 Solver_block: 600 / 1040 - Time: 1.391 Solver_block: 700 / 1040 - Time: 1.395 Solver_block: 800 / 1040 - Time: 1.399 Solver_block: 900 / 1040 - Time: 1.391 Solver_block: 1000 / 1040 - Time: 1.394 Solver_block: 1040 / 1040 - Time: 0.699 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.273 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1160 / 1160 (1) 142 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 136 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (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: 1152 / 1152 (1) 140 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 125 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 125 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 125 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5357, 5280), data: False |-- (631, 622), data: False |-- (631, 6), data: (631, 15) @ (15, 6) |-- (131, 125), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 6), data: (631, 15) @ (15, 6) |-- (131, 125), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 6), data: (631, 15) @ (15, 6) |-- (131, 125), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 26), data: (1152, 42) @ (42, 26) |-- (152, 140), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 31), data: (1152, 47) @ (47, 31) |-- (152, 136), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 235), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1160, 1142), data: False |-- (1160, 32), data: (1160, 50) @ (50, 32) |-- (160, 142), data: True |-- (500, 486), data: False |-- (500, 10), data: (500, 24) @ (24, 10) |-- (250, 240), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 2026-01-09 04:16:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:16:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.200354519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.126502500000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.407732950000000 Atomic positions (fractional): 1 Ca 0.69822148999834 0.82987680677163 0.10419831016091 40.078 2 Ca 0.80177851000166 0.67012319322837 0.60419831016091 40.078 3 Ca 0.19822148999834 0.67012319322837 0.89580168983909 40.078 4 Ca 0.30177851000166 0.82987680677163 0.39580168983909 40.078 5 Ca 0.30177851000166 0.17012319322837 0.89580168983909 40.078 6 Ca 0.19822148999834 0.32987680677163 0.39580168983909 40.078 7 Ca 0.80177851000166 0.32987680677163 0.10419831016091 40.078 8 Ca 0.69822148999834 0.17012319322837 0.60419831016091 40.078 9 Ca 0.00000000000000 0.63629590431160 0.25000000000000 40.078 10 Ca 0.50000000000000 0.86370409568840 0.75000000000000 40.078 11 Ca 0.00000000000000 0.36370409568840 0.75000000000000 40.078 12 Ca 0.50000000000000 0.13629590431160 0.25000000000000 40.078 13 Ca 0.64070492319427 0.87453287859249 0.42567274150590 40.078 14 Ca 0.85929507680573 0.62546712140751 0.92567274150590 40.078 15 Ca 0.14070492319427 0.62546712140751 0.57432725849410 40.078 16 Ca 0.35929507680573 0.87453287859249 0.07432725849410 40.078 17 Ca 0.35929507680573 0.12546712140751 0.57432725849410 40.078 18 Ca 0.14070492319427 0.37453287859249 0.07432725849410 40.078 19 Ca 0.85929507680573 0.37453287859249 0.42567274150590 40.078 20 Ca 0.64070492319427 0.12546712140751 0.92567274150590 40.078 21 Al 0.64518382936796 0.58992816180324 0.26349171894111 26.982 22 Al 0.85481617063204 0.91007183819676 0.76349171894111 26.982 23 Al 0.14518382936795 0.91007183819676 0.73650828105889 26.982 24 Al 0.35481617063205 0.58992816180324 0.23650828105889 26.982 25 Al 0.35481617063205 0.41007183819676 0.73650828105889 26.982 26 Al 0.14518382936795 0.08992816180324 0.23650828105889 26.982 27 Al 0.85481617063204 0.08992816180324 0.26349171894111 26.982 28 Al 0.64518382936796 0.41007183819676 0.76349171894111 26.982 29 Si 0.99369136721758 0.90520779079543 0.07066784087759 28.085 30 Si 0.50630863278242 0.59479220920457 0.57066784087759 28.085 31 Si 0.49369136721758 0.59479220920457 0.92933215912241 28.085 32 Si 0.00630863278242 0.90520779079543 0.42933215912241 28.085 33 Si 0.00630863278242 0.09479220920457 0.92933215912241 28.085 34 Si 0.49369136721758 0.40520779079543 0.42933215912241 28.085 35 Si 0.50630863278242 0.40520779079543 0.07066784087759 28.085 36 Si 0.99369136721758 0.09479220920457 0.57066784087759 28.085 37 N 0.95252396837890 0.63819258277731 0.09062163005872 14.007 38 N 0.54747603162110 0.86180741722269 0.59062163005872 14.007 39 N 0.45252396837890 0.86180741722269 0.90937836994128 14.007 40 N 0.04747603162110 0.63819258277731 0.40937836994128 14.007 41 N 0.04747603162110 0.36180741722269 0.90937836994128 14.007 42 N 0.45252396837890 0.13819258277731 0.40937836994128 14.007 43 N 0.54747603162110 0.13819258277731 0.09062163005872 14.007 44 N 0.95252396837890 0.36180741722269 0.59062163005872 14.007 45 N 0.85787440684883 0.98663293398927 0.49470558770465 14.007 46 N 0.64212559315117 0.51336706601073 0.99470558770465 14.007 47 N 0.35787440684883 0.51336706601073 0.50529441229535 14.007 48 N 0.14212559315117 0.98663293398927 0.00529441229535 14.007 49 N 0.14212559315117 0.01336706601073 0.50529441229535 14.007 50 N 0.35787440684883 0.48663293398927 0.00529441229535 14.007 51 N 0.64212559315117 0.48663293398927 0.49470558770465 14.007 52 N 0.85787440684883 0.01336706601073 0.99470558770465 14.007 53 N 0.72184231847891 0.86702390270744 0.26786853810834 14.007 54 N 0.77815768152109 0.63297609729256 0.76786853810834 14.007 55 N 0.22184231847891 0.63297609729256 0.73213146189166 14.007 56 N 0.27815768152109 0.86702390270744 0.23213146189166 14.007 57 N 0.27815768152109 0.13297609729256 0.73213146189166 14.007 58 N 0.22184231847891 0.36702390270744 0.23213146189166 14.007 59 N 0.77815768152109 0.36702390270744 0.26786853810834 14.007 60 N 0.72184231847891 0.13297609729256 0.76786853810834 14.007 61 N 0.52004373216793 0.57360665575029 0.16132373226794 14.007 62 N 0.97995626783207 0.92639334424971 0.66132373226795 14.007 63 N 0.02004373216793 0.92639334424971 0.83867626773205 14.007 64 N 0.47995626783207 0.57360665575029 0.33867626773206 14.007 65 N 0.47995626783207 0.42639334424971 0.83867626773205 14.007 66 N 0.02004373216793 0.07360665575029 0.33867626773206 14.007 67 N 0.97995626783207 0.07360665575029 0.16132373226794 14.007 68 N 0.52004373216793 0.42639334424971 0.66132373226795 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.200354519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.253005000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.407732950000000 Atomic positions (fractional): 1 Ca 0.69822148999834 0.41493840338582 0.10419831016091 40.078 > 1 2 Ca 0.69822148999834 0.91493840338582 0.10419831016091 40.078 > 1 3 Ca 0.80177851000166 0.33506159661418 0.60419831016091 40.078 > 3 4 Ca 0.80177851000166 0.83506159661418 0.60419831016091 40.078 > 3 5 Ca 0.19822148999834 0.33506159661418 0.89580168983909 40.078 > 5 6 Ca 0.19822148999834 0.83506159661418 0.89580168983909 40.078 > 5 7 Ca 0.30177851000166 0.41493840338582 0.39580168983909 40.078 > 7 8 Ca 0.30177851000166 0.91493840338582 0.39580168983909 40.078 > 7 9 Ca 0.30177851000166 0.08506159661418 0.89580168983909 40.078 > 9 10 Ca 0.30177851000166 0.58506159661418 0.89580168983909 40.078 > 9 11 Ca 0.19822148999834 0.16493840338582 0.39580168983909 40.078 > 11 12 Ca 0.19822148999834 0.66493840338582 0.39580168983909 40.078 > 11 13 Ca 0.80177851000166 0.16493840338582 0.10419831016091 40.078 > 13 14 Ca 0.80177851000166 0.66493840338582 0.10419831016091 40.078 > 13 15 Ca 0.69822148999834 0.08506159661418 0.60419831016091 40.078 > 15 16 Ca 0.69822148999834 0.58506159661418 0.60419831016091 40.078 > 15 17 Ca 0.00000000000000 0.31814795215580 0.25000000000000 40.078 > 17 18 Ca 0.00000000000000 0.81814795215580 0.25000000000000 40.078 > 17 19 Ca 0.50000000000000 0.43185204784420 0.75000000000000 40.078 > 19 20 Ca 0.50000000000000 0.93185204784420 0.75000000000000 40.078 > 19 21 Ca 0.00000000000000 0.18185204784420 0.75000000000000 40.078 > 21 22 Ca 0.00000000000000 0.68185204784420 0.75000000000000 40.078 > 21 23 Ca 0.50000000000000 0.06814795215580 0.25000000000000 40.078 > 23 24 Ca 0.50000000000000 0.56814795215580 0.25000000000000 40.078 > 23 25 Ca 0.64070492319427 0.43726643929624 0.42567274150590 40.078 > 25 26 Ca 0.64070492319427 0.93726643929624 0.42567274150590 40.078 > 25 27 Ca 0.85929507680573 0.31273356070376 0.92567274150590 40.078 > 27 28 Ca 0.85929507680573 0.81273356070376 0.92567274150590 40.078 > 27 29 Ca 0.14070492319427 0.31273356070376 0.57432725849410 40.078 > 29 30 Ca 0.14070492319427 0.81273356070376 0.57432725849410 40.078 > 29 31 Ca 0.35929507680573 0.43726643929624 0.07432725849410 40.078 > 31 32 Ca 0.35929507680573 0.93726643929624 0.07432725849410 40.078 > 31 33 Ca 0.35929507680573 0.06273356070376 0.57432725849410 40.078 > 33 34 Ca 0.35929507680573 0.56273356070376 0.57432725849410 40.078 > 33 35 Ca 0.14070492319427 0.18726643929624 0.07432725849410 40.078 > 35 36 Ca 0.14070492319427 0.68726643929624 0.07432725849410 40.078 > 35 37 Ca 0.85929507680573 0.18726643929624 0.42567274150590 40.078 > 37 38 Ca 0.85929507680573 0.68726643929624 0.42567274150590 40.078 > 37 39 Ca 0.64070492319427 0.06273356070376 0.92567274150590 40.078 > 39 40 Ca 0.64070492319427 0.56273356070376 0.92567274150590 40.078 > 39 41 Al 0.64518382936796 0.29496408090162 0.26349171894111 26.982 > 41 42 Al 0.64518382936796 0.79496408090162 0.26349171894111 26.982 > 41 43 Al 0.85481617063204 0.45503591909838 0.76349171894111 26.982 > 43 44 Al 0.85481617063204 0.95503591909838 0.76349171894111 26.982 > 43 45 Al 0.14518382936795 0.45503591909838 0.73650828105889 26.982 > 45 46 Al 0.14518382936795 0.95503591909838 0.73650828105889 26.982 > 45 47 Al 0.35481617063205 0.29496408090162 0.23650828105889 26.982 > 47 48 Al 0.35481617063205 0.79496408090162 0.23650828105889 26.982 > 47 49 Al 0.35481617063205 0.20503591909838 0.73650828105889 26.982 > 49 50 Al 0.35481617063205 0.70503591909838 0.73650828105889 26.982 > 49 51 Al 0.14518382936795 0.04496408090162 0.23650828105889 26.982 > 51 52 Al 0.14518382936795 0.54496408090162 0.23650828105889 26.982 > 51 53 Al 0.85481617063204 0.04496408090162 0.26349171894111 26.982 > 53 54 Al 0.85481617063204 0.54496408090162 0.26349171894111 26.982 > 53 55 Al 0.64518382936796 0.20503591909838 0.76349171894111 26.982 > 55 56 Al 0.64518382936796 0.70503591909838 0.76349171894111 26.982 > 55 57 Si 0.99369136721758 0.45260389539772 0.07066784087759 28.085 > 57 58 Si 0.99369136721758 0.95260389539772 0.07066784087759 28.085 > 57 59 Si 0.50630863278242 0.29739610460228 0.57066784087759 28.085 > 59 60 Si 0.50630863278242 0.79739610460228 0.57066784087759 28.085 > 59 61 Si 0.49369136721758 0.29739610460228 0.92933215912241 28.085 > 61 62 Si 0.49369136721758 0.79739610460228 0.92933215912241 28.085 > 61 63 Si 0.00630863278242 0.45260389539772 0.42933215912241 28.085 > 63 64 Si 0.00630863278242 0.95260389539772 0.42933215912241 28.085 > 63 65 Si 0.00630863278242 0.04739610460228 0.92933215912241 28.085 > 65 66 Si 0.00630863278242 0.54739610460228 0.92933215912241 28.085 > 65 67 Si 0.49369136721758 0.20260389539772 0.42933215912241 28.085 > 67 68 Si 0.49369136721758 0.70260389539772 0.42933215912241 28.085 > 67 69 Si 0.50630863278242 0.20260389539772 0.07066784087759 28.085 > 69 70 Si 0.50630863278242 0.70260389539772 0.07066784087759 28.085 > 69 71 Si 0.99369136721758 0.04739610460228 0.57066784087759 28.085 > 71 72 Si 0.99369136721758 0.54739610460228 0.57066784087759 28.085 > 71 73 N 0.95252396837890 0.31909629138865 0.09062163005872 14.007 > 73 74 N 0.95252396837890 0.81909629138865 0.09062163005872 14.007 > 73 75 N 0.54747603162110 0.43090370861135 0.59062163005872 14.007 > 75 76 N 0.54747603162110 0.93090370861135 0.59062163005872 14.007 > 75 77 N 0.45252396837890 0.43090370861135 0.90937836994128 14.007 > 77 78 N 0.45252396837890 0.93090370861135 0.90937836994128 14.007 > 77 79 N 0.04747603162110 0.31909629138865 0.40937836994128 14.007 > 79 80 N 0.04747603162110 0.81909629138865 0.40937836994128 14.007 > 79 81 N 0.04747603162110 0.18090370861135 0.90937836994128 14.007 > 81 82 N 0.04747603162110 0.68090370861135 0.90937836994128 14.007 > 81 83 N 0.45252396837890 0.06909629138865 0.40937836994128 14.007 > 83 84 N 0.45252396837890 0.56909629138865 0.40937836994128 14.007 > 83 85 N 0.54747603162110 0.06909629138865 0.09062163005872 14.007 > 85 86 N 0.54747603162110 0.56909629138865 0.09062163005872 14.007 > 85 87 N 0.95252396837890 0.18090370861135 0.59062163005872 14.007 > 87 88 N 0.95252396837890 0.68090370861135 0.59062163005872 14.007 > 87 89 N 0.85787440684883 0.49331646699464 0.49470558770465 14.007 > 89 90 N 0.85787440684883 0.99331646699464 0.49470558770465 14.007 > 89 91 N 0.64212559315117 0.25668353300536 0.99470558770465 14.007 > 91 92 N 0.64212559315117 0.75668353300536 0.99470558770465 14.007 > 91 93 N 0.35787440684883 0.25668353300536 0.50529441229535 14.007 > 93 94 N 0.35787440684883 0.75668353300536 0.50529441229535 14.007 > 93 95 N 0.14212559315117 0.49331646699464 0.00529441229535 14.007 > 95 96 N 0.14212559315117 0.99331646699464 0.00529441229535 14.007 > 95 97 N 0.14212559315117 0.00668353300536 0.50529441229535 14.007 > 97 98 N 0.14212559315117 0.50668353300536 0.50529441229535 14.007 > 97 99 N 0.35787440684883 0.24331646699464 0.00529441229535 14.007 > 99 100 N 0.35787440684883 0.74331646699464 0.00529441229535 14.007 > 99 101 N 0.64212559315117 0.24331646699464 0.49470558770465 14.007 > 101 102 N 0.64212559315117 0.74331646699464 0.49470558770465 14.007 > 101 103 N 0.85787440684883 0.00668353300536 0.99470558770465 14.007 > 103 104 N 0.85787440684883 0.50668353300536 0.99470558770465 14.007 > 103 105 N 0.72184231847891 0.43351195135372 0.26786853810834 14.007 > 105 106 N 0.72184231847891 0.93351195135372 0.26786853810834 14.007 > 105 107 N 0.77815768152109 0.31648804864628 0.76786853810834 14.007 > 107 108 N 0.77815768152109 0.81648804864628 0.76786853810834 14.007 > 107 109 N 0.22184231847891 0.31648804864628 0.73213146189166 14.007 > 109 110 N 0.22184231847891 0.81648804864628 0.73213146189166 14.007 > 109 111 N 0.27815768152109 0.43351195135372 0.23213146189166 14.007 > 111 112 N 0.27815768152109 0.93351195135372 0.23213146189166 14.007 > 111 113 N 0.27815768152109 0.06648804864628 0.73213146189166 14.007 > 113 114 N 0.27815768152109 0.56648804864628 0.73213146189166 14.007 > 113 115 N 0.22184231847891 0.18351195135372 0.23213146189166 14.007 > 115 116 N 0.22184231847891 0.68351195135372 0.23213146189166 14.007 > 115 117 N 0.77815768152109 0.18351195135372 0.26786853810834 14.007 > 117 118 N 0.77815768152109 0.68351195135372 0.26786853810834 14.007 > 117 119 N 0.72184231847891 0.06648804864628 0.76786853810834 14.007 > 119 120 N 0.72184231847891 0.56648804864628 0.76786853810834 14.007 > 119 121 N 0.52004373216793 0.28680332787514 0.16132373226794 14.007 > 121 122 N 0.52004373216793 0.78680332787514 0.16132373226794 14.007 > 121 123 N 0.97995626783207 0.46319667212486 0.66132373226795 14.007 > 123 124 N 0.97995626783207 0.96319667212486 0.66132373226795 14.007 > 123 125 N 0.02004373216793 0.46319667212486 0.83867626773205 14.007 > 125 126 N 0.02004373216793 0.96319667212486 0.83867626773205 14.007 > 125 127 N 0.47995626783207 0.28680332787514 0.33867626773206 14.007 > 127 128 N 0.47995626783207 0.78680332787514 0.33867626773206 14.007 > 127 129 N 0.47995626783207 0.21319667212486 0.83867626773205 14.007 > 129 130 N 0.47995626783207 0.71319667212486 0.83867626773205 14.007 > 129 131 N 0.02004373216793 0.03680332787514 0.33867626773206 14.007 > 131 132 N 0.02004373216793 0.53680332787514 0.33867626773206 14.007 > 131 133 N 0.97995626783207 0.03680332787514 0.16132373226794 14.007 > 133 134 N 0.97995626783207 0.53680332787514 0.16132373226794 14.007 > 133 135 N 0.52004373216793 0.21319667212486 0.66132373226795 14.007 > 135 136 N 0.52004373216793 0.71319667212486 0.66132373226795 14.007 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1733761 0.0000000 0.0000000 0.0000000 5.3989688 0.0000000 0.0000000 0.0000000 5.2517294 -------------------------- Born effective charges -------------------------- 1 Ca 2.4850511 0.0590166 -0.1368238 -0.0440761 2.4100656 -0.0312784 -0.0708257 -0.0725923 2.2755337 2 Ca 2.4850511 0.0590166 0.1368238 -0.0440761 2.4100656 0.0312784 0.0708257 0.0725923 2.2755337 3 Ca 2.4850511 -0.0590166 0.1368238 0.0440761 2.4100656 -0.0312784 0.0708257 -0.0725923 2.2755337 4 Ca 2.4850511 -0.0590166 -0.1368238 0.0440761 2.4100656 0.0312784 -0.0708257 0.0725923 2.2755337 5 Ca 2.4850511 0.0590166 -0.1368238 -0.0440761 2.4100656 -0.0312784 -0.0708257 -0.0725923 2.2755337 6 Ca 2.4850511 0.0590166 0.1368238 -0.0440761 2.4100656 0.0312784 0.0708257 0.0725923 2.2755337 7 Ca 2.4850511 -0.0590166 0.1368238 0.0440761 2.4100656 -0.0312784 0.0708257 -0.0725923 2.2755337 8 Ca 2.4850511 -0.0590166 -0.1368238 0.0440761 2.4100656 0.0312784 -0.0708257 0.0725923 2.2755337 9 Ca 2.3989190 0.0000000 0.0943810 0.0000000 2.4269785 0.0000000 0.1427761 0.0000000 2.4061435 10 Ca 2.3989190 0.0000000 -0.0943810 0.0000000 2.4269785 0.0000000 -0.1427761 0.0000000 2.4061435 11 Ca 2.3989190 0.0000000 0.0943810 0.0000000 2.4269785 0.0000000 0.1427761 0.0000000 2.4061435 12 Ca 2.3989190 0.0000000 -0.0943810 0.0000000 2.4269785 0.0000000 -0.1427761 0.0000000 2.4061435 13 Ca 2.3582691 0.0874509 0.0466498 0.0299960 2.2604086 -0.1496599 0.0552793 -0.0517579 2.5054427 14 Ca 2.3582691 0.0874509 -0.0466498 0.0299960 2.2604086 0.1496599 -0.0552793 0.0517579 2.5054427 15 Ca 2.3582691 -0.0874509 -0.0466498 -0.0299960 2.2604086 -0.1496599 -0.0552793 -0.0517579 2.5054427 16 Ca 2.3582691 -0.0874509 0.0466498 -0.0299960 2.2604086 0.1496599 0.0552793 0.0517579 2.5054427 17 Ca 2.3582691 0.0874509 0.0466498 0.0299960 2.2604086 -0.1496599 0.0552793 -0.0517579 2.5054427 18 Ca 2.3582691 0.0874509 -0.0466498 0.0299960 2.2604086 0.1496599 -0.0552793 0.0517579 2.5054427 19 Ca 2.3582691 -0.0874509 -0.0466498 -0.0299960 2.2604086 -0.1496599 -0.0552793 -0.0517579 2.5054427 20 Ca 2.3582691 -0.0874509 0.0466498 -0.0299960 2.2604086 0.1496599 0.0552793 0.0517579 2.5054427 21 Al 2.5875271 0.1116789 -0.0882405 0.1110068 2.5946038 0.0086021 -0.0408425 0.0098670 2.1024267 22 Al 2.5875271 0.1116789 0.0882405 0.1110068 2.5946038 -0.0086021 0.0408425 -0.0098670 2.1024267 23 Al 2.5875271 -0.1116789 0.0882405 -0.1110068 2.5946038 0.0086021 0.0408425 0.0098670 2.1024267 24 Al 2.5875271 -0.1116789 -0.0882405 -0.1110068 2.5946038 -0.0086021 -0.0408425 -0.0098670 2.1024267 25 Al 2.5875271 0.1116789 -0.0882405 0.1110068 2.5946038 0.0086021 -0.0408425 0.0098670 2.1024267 26 Al 2.5875271 0.1116789 0.0882405 0.1110068 2.5946038 -0.0086021 0.0408425 -0.0098670 2.1024267 27 Al 2.5875271 -0.1116789 0.0882405 -0.1110068 2.5946038 0.0086021 0.0408425 0.0098670 2.1024267 28 Al 2.5875271 -0.1116789 -0.0882405 -0.1110068 2.5946038 -0.0086021 -0.0408425 -0.0098670 2.1024267 29 Si 2.0667979 0.3211447 -0.1510926 0.2873763 2.9174429 -0.2090200 -0.0444546 -0.1990942 3.1277170 30 Si 2.0667979 0.3211447 0.1510926 0.2873763 2.9174429 0.2090200 0.0444546 0.1990942 3.1277170 31 Si 2.0667979 -0.3211447 0.1510926 -0.2873763 2.9174429 -0.2090200 0.0444546 -0.1990942 3.1277170 32 Si 2.0667979 -0.3211447 -0.1510926 -0.2873763 2.9174429 0.2090200 -0.0444546 0.1990942 3.1277170 33 Si 2.0667979 0.3211447 -0.1510926 0.2873763 2.9174429 -0.2090200 -0.0444546 -0.1990942 3.1277170 34 Si 2.0667979 0.3211447 0.1510926 0.2873763 2.9174429 0.2090200 0.0444546 0.1990942 3.1277170 35 Si 2.0667979 -0.3211447 0.1510926 -0.2873763 2.9174429 -0.2090200 0.0444546 -0.1990942 3.1277170 36 Si 2.0667979 -0.3211447 -0.1510926 -0.2873763 2.9174429 0.2090200 -0.0444546 0.1990942 3.1277170 37 N -2.4435790 -0.1850391 0.0635603 -0.2210533 -3.4679147 0.1552484 0.0650487 0.1756794 -2.5659067 38 N -2.4435790 -0.1850391 -0.0635603 -0.2210533 -3.4679147 -0.1552484 -0.0650487 -0.1756794 -2.5659067 39 N -2.4435790 0.1850391 -0.0635603 0.2210533 -3.4679147 0.1552484 -0.0650487 0.1756794 -2.5659067 40 N -2.4435790 0.1850391 0.0635603 0.2210533 -3.4679147 -0.1552484 0.0650487 -0.1756794 -2.5659067 41 N -2.4435790 -0.1850391 0.0635603 -0.2210533 -3.4679147 0.1552484 0.0650487 0.1756794 -2.5659067 42 N -2.4435790 -0.1850391 -0.0635603 -0.2210533 -3.4679147 -0.1552484 -0.0650487 -0.1756794 -2.5659067 43 N -2.4435790 0.1850391 -0.0635603 0.2210533 -3.4679147 0.1552484 -0.0650487 0.1756794 -2.5659067 44 N -2.4435790 0.1850391 0.0635603 0.2210533 -3.4679147 -0.1552484 0.0650487 -0.1756794 -2.5659067 45 N -3.0237258 0.0256636 0.1605789 -0.1040341 -2.2662454 -0.2683484 0.0320568 -0.4268586 -2.8341419 46 N -3.0237258 0.0256636 -0.1605789 -0.1040341 -2.2662454 0.2683484 -0.0320568 0.4268586 -2.8341419 47 N -3.0237258 -0.0256636 -0.1605789 0.1040341 -2.2662454 -0.2683484 -0.0320568 -0.4268586 -2.8341419 48 N -3.0237258 -0.0256636 0.1605789 0.1040341 -2.2662454 0.2683484 0.0320568 0.4268586 -2.8341419 49 N -3.0237258 0.0256636 0.1605789 -0.1040341 -2.2662454 -0.2683484 0.0320568 -0.4268586 -2.8341419 50 N -3.0237258 0.0256636 -0.1605789 -0.1040341 -2.2662454 0.2683484 -0.0320568 0.4268586 -2.8341419 51 N -3.0237258 -0.0256636 -0.1605789 0.1040341 -2.2662454 -0.2683484 -0.0320568 -0.4268586 -2.8341419 52 N -3.0237258 -0.0256636 0.1605789 0.1040341 -2.2662454 0.2683484 0.0320568 0.4268586 -2.8341419 53 N -2.6513726 -0.4078953 0.0605374 -0.3983861 -3.1962630 0.0514559 0.0939935 0.0059778 -2.4437088 54 N -2.6513726 -0.4078953 -0.0605374 -0.3983861 -3.1962630 -0.0514559 -0.0939935 -0.0059778 -2.4437088 55 N -2.6513726 0.4078953 -0.0605374 0.3983861 -3.1962630 0.0514559 -0.0939935 0.0059778 -2.4437088 56 N -2.6513726 0.4078953 0.0605374 0.3983861 -3.1962630 -0.0514559 0.0939935 -0.0059778 -2.4437088 57 N -2.6513726 -0.4078953 0.0605374 -0.3983861 -3.1962630 0.0514559 0.0939935 0.0059778 -2.4437088 58 N -2.6513726 -0.4078953 -0.0605374 -0.3983861 -3.1962630 -0.0514559 -0.0939935 -0.0059778 -2.4437088 59 N -2.6513726 0.4078953 -0.0605374 0.3983861 -3.1962630 0.0514559 -0.0939935 0.0059778 -2.4437088 60 N -2.6513726 0.4078953 0.0605374 0.3983861 -3.1962630 -0.0514559 0.0939935 -0.0059778 -2.4437088 61 N -2.5784272 -0.0828419 0.0270277 -0.0470579 -2.4655870 -0.3361165 0.0721639 -0.2544971 -3.3704345 62 N -2.5784272 -0.0828419 -0.0270277 -0.0470579 -2.4655870 0.3361165 -0.0721639 0.2544971 -3.3704345 63 N -2.5784272 0.0828419 -0.0270277 0.0470579 -2.4655870 -0.3361165 -0.0721639 -0.2544971 -3.3704345 64 N -2.5784272 0.0828419 0.0270277 0.0470579 -2.4655870 0.3361165 0.0721639 0.2544971 -3.3704345 65 N -2.5784272 -0.0828419 0.0270277 -0.0470579 -2.4655870 -0.3361165 0.0721639 -0.2544971 -3.3704345 66 N -2.5784272 -0.0828419 -0.0270277 -0.0470579 -2.4655870 0.3361165 -0.0721639 0.2544971 -3.3704345 67 N -2.5784272 0.0828419 -0.0270277 0.0470579 -2.4655870 -0.3361165 -0.0721639 -0.2544971 -3.3704345 68 N -2.5784272 0.0828419 0.0270277 0.0470579 -2.4655870 0.3361165 0.0721639 0.2544971 -3.3704345 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:17:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:17:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.200354519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.126502500000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.407732950000000 Atomic positions (fractional): 1 Ca 0.69822148999834 0.82987680677163 0.10419831016091 40.078 2 Ca 0.80177851000166 0.67012319322837 0.60419831016091 40.078 3 Ca 0.19822148999834 0.67012319322837 0.89580168983909 40.078 4 Ca 0.30177851000166 0.82987680677163 0.39580168983909 40.078 5 Ca 0.30177851000166 0.17012319322837 0.89580168983909 40.078 6 Ca 0.19822148999834 0.32987680677163 0.39580168983909 40.078 7 Ca 0.80177851000166 0.32987680677163 0.10419831016091 40.078 8 Ca 0.69822148999834 0.17012319322837 0.60419831016091 40.078 9 Ca 0.00000000000000 0.63629590431160 0.25000000000000 40.078 10 Ca 0.50000000000000 0.86370409568840 0.75000000000000 40.078 11 Ca 0.00000000000000 0.36370409568840 0.75000000000000 40.078 12 Ca 0.50000000000000 0.13629590431160 0.25000000000000 40.078 13 Ca 0.64070492319427 0.87453287859249 0.42567274150590 40.078 14 Ca 0.85929507680573 0.62546712140751 0.92567274150590 40.078 15 Ca 0.14070492319427 0.62546712140751 0.57432725849410 40.078 16 Ca 0.35929507680573 0.87453287859249 0.07432725849410 40.078 17 Ca 0.35929507680573 0.12546712140751 0.57432725849410 40.078 18 Ca 0.14070492319427 0.37453287859249 0.07432725849410 40.078 19 Ca 0.85929507680573 0.37453287859249 0.42567274150590 40.078 20 Ca 0.64070492319427 0.12546712140751 0.92567274150590 40.078 21 Al 0.64518382936796 0.58992816180324 0.26349171894111 26.982 22 Al 0.85481617063204 0.91007183819676 0.76349171894111 26.982 23 Al 0.14518382936795 0.91007183819676 0.73650828105889 26.982 24 Al 0.35481617063205 0.58992816180324 0.23650828105889 26.982 25 Al 0.35481617063205 0.41007183819676 0.73650828105889 26.982 26 Al 0.14518382936795 0.08992816180324 0.23650828105889 26.982 27 Al 0.85481617063204 0.08992816180324 0.26349171894111 26.982 28 Al 0.64518382936796 0.41007183819676 0.76349171894111 26.982 29 Si 0.99369136721758 0.90520779079543 0.07066784087759 28.085 30 Si 0.50630863278242 0.59479220920457 0.57066784087759 28.085 31 Si 0.49369136721758 0.59479220920457 0.92933215912241 28.085 32 Si 0.00630863278242 0.90520779079543 0.42933215912241 28.085 33 Si 0.00630863278242 0.09479220920457 0.92933215912241 28.085 34 Si 0.49369136721758 0.40520779079543 0.42933215912241 28.085 35 Si 0.50630863278242 0.40520779079543 0.07066784087759 28.085 36 Si 0.99369136721758 0.09479220920457 0.57066784087759 28.085 37 N 0.95252396837890 0.63819258277731 0.09062163005872 14.007 38 N 0.54747603162110 0.86180741722269 0.59062163005872 14.007 39 N 0.45252396837890 0.86180741722269 0.90937836994128 14.007 40 N 0.04747603162110 0.63819258277731 0.40937836994128 14.007 41 N 0.04747603162110 0.36180741722269 0.90937836994128 14.007 42 N 0.45252396837890 0.13819258277731 0.40937836994128 14.007 43 N 0.54747603162110 0.13819258277731 0.09062163005872 14.007 44 N 0.95252396837890 0.36180741722269 0.59062163005872 14.007 45 N 0.85787440684883 0.98663293398927 0.49470558770465 14.007 46 N 0.64212559315117 0.51336706601073 0.99470558770465 14.007 47 N 0.35787440684883 0.51336706601073 0.50529441229535 14.007 48 N 0.14212559315117 0.98663293398927 0.00529441229535 14.007 49 N 0.14212559315117 0.01336706601073 0.50529441229535 14.007 50 N 0.35787440684883 0.48663293398927 0.00529441229535 14.007 51 N 0.64212559315117 0.48663293398927 0.49470558770465 14.007 52 N 0.85787440684883 0.01336706601073 0.99470558770465 14.007 53 N 0.72184231847891 0.86702390270744 0.26786853810834 14.007 54 N 0.77815768152109 0.63297609729256 0.76786853810834 14.007 55 N 0.22184231847891 0.63297609729256 0.73213146189166 14.007 56 N 0.27815768152109 0.86702390270744 0.23213146189166 14.007 57 N 0.27815768152109 0.13297609729256 0.73213146189166 14.007 58 N 0.22184231847891 0.36702390270744 0.23213146189166 14.007 59 N 0.77815768152109 0.36702390270744 0.26786853810834 14.007 60 N 0.72184231847891 0.13297609729256 0.76786853810834 14.007 61 N 0.52004373216793 0.57360665575029 0.16132373226794 14.007 62 N 0.97995626783207 0.92639334424971 0.66132373226795 14.007 63 N 0.02004373216793 0.92639334424971 0.83867626773205 14.007 64 N 0.47995626783207 0.57360665575029 0.33867626773206 14.007 65 N 0.47995626783207 0.42639334424971 0.83867626773205 14.007 66 N 0.02004373216793 0.07360665575029 0.33867626773206 14.007 67 N 0.97995626783207 0.07360665575029 0.16132373226794 14.007 68 N 0.52004373216793 0.42639334424971 0.66132373226795 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.200354519999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.253005000000000 0.000000000000000 c 0.000000000000000 0.000000000000000 15.407732950000000 Atomic positions (fractional): 1 Ca 0.69822148999834 0.41493840338582 0.10419831016091 40.078 > 1 2 Ca 0.69822148999834 0.91493840338582 0.10419831016091 40.078 > 1 3 Ca 0.80177851000166 0.33506159661418 0.60419831016091 40.078 > 3 4 Ca 0.80177851000166 0.83506159661418 0.60419831016091 40.078 > 3 5 Ca 0.19822148999834 0.33506159661418 0.89580168983909 40.078 > 5 6 Ca 0.19822148999834 0.83506159661418 0.89580168983909 40.078 > 5 7 Ca 0.30177851000166 0.41493840338582 0.39580168983909 40.078 > 7 8 Ca 0.30177851000166 0.91493840338582 0.39580168983909 40.078 > 7 9 Ca 0.30177851000166 0.08506159661418 0.89580168983909 40.078 > 9 10 Ca 0.30177851000166 0.58506159661418 0.89580168983909 40.078 > 9 11 Ca 0.19822148999834 0.16493840338582 0.39580168983909 40.078 > 11 12 Ca 0.19822148999834 0.66493840338582 0.39580168983909 40.078 > 11 13 Ca 0.80177851000166 0.16493840338582 0.10419831016091 40.078 > 13 14 Ca 0.80177851000166 0.66493840338582 0.10419831016091 40.078 > 13 15 Ca 0.69822148999834 0.08506159661418 0.60419831016091 40.078 > 15 16 Ca 0.69822148999834 0.58506159661418 0.60419831016091 40.078 > 15 17 Ca 0.00000000000000 0.31814795215580 0.25000000000000 40.078 > 17 18 Ca 0.00000000000000 0.81814795215580 0.25000000000000 40.078 > 17 19 Ca 0.50000000000000 0.43185204784420 0.75000000000000 40.078 > 19 20 Ca 0.50000000000000 0.93185204784420 0.75000000000000 40.078 > 19 21 Ca 0.00000000000000 0.18185204784420 0.75000000000000 40.078 > 21 22 Ca 0.00000000000000 0.68185204784420 0.75000000000000 40.078 > 21 23 Ca 0.50000000000000 0.06814795215580 0.25000000000000 40.078 > 23 24 Ca 0.50000000000000 0.56814795215580 0.25000000000000 40.078 > 23 25 Ca 0.64070492319427 0.43726643929624 0.42567274150590 40.078 > 25 26 Ca 0.64070492319427 0.93726643929624 0.42567274150590 40.078 > 25 27 Ca 0.85929507680573 0.31273356070376 0.92567274150590 40.078 > 27 28 Ca 0.85929507680573 0.81273356070376 0.92567274150590 40.078 > 27 29 Ca 0.14070492319427 0.31273356070376 0.57432725849410 40.078 > 29 30 Ca 0.14070492319427 0.81273356070376 0.57432725849410 40.078 > 29 31 Ca 0.35929507680573 0.43726643929624 0.07432725849410 40.078 > 31 32 Ca 0.35929507680573 0.93726643929624 0.07432725849410 40.078 > 31 33 Ca 0.35929507680573 0.06273356070376 0.57432725849410 40.078 > 33 34 Ca 0.35929507680573 0.56273356070376 0.57432725849410 40.078 > 33 35 Ca 0.14070492319427 0.18726643929624 0.07432725849410 40.078 > 35 36 Ca 0.14070492319427 0.68726643929624 0.07432725849410 40.078 > 35 37 Ca 0.85929507680573 0.18726643929624 0.42567274150590 40.078 > 37 38 Ca 0.85929507680573 0.68726643929624 0.42567274150590 40.078 > 37 39 Ca 0.64070492319427 0.06273356070376 0.92567274150590 40.078 > 39 40 Ca 0.64070492319427 0.56273356070376 0.92567274150590 40.078 > 39 41 Al 0.64518382936796 0.29496408090162 0.26349171894111 26.982 > 41 42 Al 0.64518382936796 0.79496408090162 0.26349171894111 26.982 > 41 43 Al 0.85481617063204 0.45503591909838 0.76349171894111 26.982 > 43 44 Al 0.85481617063204 0.95503591909838 0.76349171894111 26.982 > 43 45 Al 0.14518382936795 0.45503591909838 0.73650828105889 26.982 > 45 46 Al 0.14518382936795 0.95503591909838 0.73650828105889 26.982 > 45 47 Al 0.35481617063205 0.29496408090162 0.23650828105889 26.982 > 47 48 Al 0.35481617063205 0.79496408090162 0.23650828105889 26.982 > 47 49 Al 0.35481617063205 0.20503591909838 0.73650828105889 26.982 > 49 50 Al 0.35481617063205 0.70503591909838 0.73650828105889 26.982 > 49 51 Al 0.14518382936795 0.04496408090162 0.23650828105889 26.982 > 51 52 Al 0.14518382936795 0.54496408090162 0.23650828105889 26.982 > 51 53 Al 0.85481617063204 0.04496408090162 0.26349171894111 26.982 > 53 54 Al 0.85481617063204 0.54496408090162 0.26349171894111 26.982 > 53 55 Al 0.64518382936796 0.20503591909838 0.76349171894111 26.982 > 55 56 Al 0.64518382936796 0.70503591909838 0.76349171894111 26.982 > 55 57 Si 0.99369136721758 0.45260389539772 0.07066784087759 28.085 > 57 58 Si 0.99369136721758 0.95260389539772 0.07066784087759 28.085 > 57 59 Si 0.50630863278242 0.29739610460228 0.57066784087759 28.085 > 59 60 Si 0.50630863278242 0.79739610460228 0.57066784087759 28.085 > 59 61 Si 0.49369136721758 0.29739610460228 0.92933215912241 28.085 > 61 62 Si 0.49369136721758 0.79739610460228 0.92933215912241 28.085 > 61 63 Si 0.00630863278242 0.45260389539772 0.42933215912241 28.085 > 63 64 Si 0.00630863278242 0.95260389539772 0.42933215912241 28.085 > 63 65 Si 0.00630863278242 0.04739610460228 0.92933215912241 28.085 > 65 66 Si 0.00630863278242 0.54739610460228 0.92933215912241 28.085 > 65 67 Si 0.49369136721758 0.20260389539772 0.42933215912241 28.085 > 67 68 Si 0.49369136721758 0.70260389539772 0.42933215912241 28.085 > 67 69 Si 0.50630863278242 0.20260389539772 0.07066784087759 28.085 > 69 70 Si 0.50630863278242 0.70260389539772 0.07066784087759 28.085 > 69 71 Si 0.99369136721758 0.04739610460228 0.57066784087759 28.085 > 71 72 Si 0.99369136721758 0.54739610460228 0.57066784087759 28.085 > 71 73 N 0.95252396837890 0.31909629138865 0.09062163005872 14.007 > 73 74 N 0.95252396837890 0.81909629138865 0.09062163005872 14.007 > 73 75 N 0.54747603162110 0.43090370861135 0.59062163005872 14.007 > 75 76 N 0.54747603162110 0.93090370861135 0.59062163005872 14.007 > 75 77 N 0.45252396837890 0.43090370861135 0.90937836994128 14.007 > 77 78 N 0.45252396837890 0.93090370861135 0.90937836994128 14.007 > 77 79 N 0.04747603162110 0.31909629138865 0.40937836994128 14.007 > 79 80 N 0.04747603162110 0.81909629138865 0.40937836994128 14.007 > 79 81 N 0.04747603162110 0.18090370861135 0.90937836994128 14.007 > 81 82 N 0.04747603162110 0.68090370861135 0.90937836994128 14.007 > 81 83 N 0.45252396837890 0.06909629138865 0.40937836994128 14.007 > 83 84 N 0.45252396837890 0.56909629138865 0.40937836994128 14.007 > 83 85 N 0.54747603162110 0.06909629138865 0.09062163005872 14.007 > 85 86 N 0.54747603162110 0.56909629138865 0.09062163005872 14.007 > 85 87 N 0.95252396837890 0.18090370861135 0.59062163005872 14.007 > 87 88 N 0.95252396837890 0.68090370861135 0.59062163005872 14.007 > 87 89 N 0.85787440684883 0.49331646699464 0.49470558770465 14.007 > 89 90 N 0.85787440684883 0.99331646699464 0.49470558770465 14.007 > 89 91 N 0.64212559315117 0.25668353300536 0.99470558770465 14.007 > 91 92 N 0.64212559315117 0.75668353300536 0.99470558770465 14.007 > 91 93 N 0.35787440684883 0.25668353300536 0.50529441229535 14.007 > 93 94 N 0.35787440684883 0.75668353300536 0.50529441229535 14.007 > 93 95 N 0.14212559315117 0.49331646699464 0.00529441229535 14.007 > 95 96 N 0.14212559315117 0.99331646699464 0.00529441229535 14.007 > 95 97 N 0.14212559315117 0.00668353300536 0.50529441229535 14.007 > 97 98 N 0.14212559315117 0.50668353300536 0.50529441229535 14.007 > 97 99 N 0.35787440684883 0.24331646699464 0.00529441229535 14.007 > 99 100 N 0.35787440684883 0.74331646699464 0.00529441229535 14.007 > 99 101 N 0.64212559315117 0.24331646699464 0.49470558770465 14.007 > 101 102 N 0.64212559315117 0.74331646699464 0.49470558770465 14.007 > 101 103 N 0.85787440684883 0.00668353300536 0.99470558770465 14.007 > 103 104 N 0.85787440684883 0.50668353300536 0.99470558770465 14.007 > 103 105 N 0.72184231847891 0.43351195135372 0.26786853810834 14.007 > 105 106 N 0.72184231847891 0.93351195135372 0.26786853810834 14.007 > 105 107 N 0.77815768152109 0.31648804864628 0.76786853810834 14.007 > 107 108 N 0.77815768152109 0.81648804864628 0.76786853810834 14.007 > 107 109 N 0.22184231847891 0.31648804864628 0.73213146189166 14.007 > 109 110 N 0.22184231847891 0.81648804864628 0.73213146189166 14.007 > 109 111 N 0.27815768152109 0.43351195135372 0.23213146189166 14.007 > 111 112 N 0.27815768152109 0.93351195135372 0.23213146189166 14.007 > 111 113 N 0.27815768152109 0.06648804864628 0.73213146189166 14.007 > 113 114 N 0.27815768152109 0.56648804864628 0.73213146189166 14.007 > 113 115 N 0.22184231847891 0.18351195135372 0.23213146189166 14.007 > 115 116 N 0.22184231847891 0.68351195135372 0.23213146189166 14.007 > 115 117 N 0.77815768152109 0.18351195135372 0.26786853810834 14.007 > 117 118 N 0.77815768152109 0.68351195135372 0.26786853810834 14.007 > 117 119 N 0.72184231847891 0.06648804864628 0.76786853810834 14.007 > 119 120 N 0.72184231847891 0.56648804864628 0.76786853810834 14.007 > 119 121 N 0.52004373216793 0.28680332787514 0.16132373226794 14.007 > 121 122 N 0.52004373216793 0.78680332787514 0.16132373226794 14.007 > 121 123 N 0.97995626783207 0.46319667212486 0.66132373226795 14.007 > 123 124 N 0.97995626783207 0.96319667212486 0.66132373226795 14.007 > 123 125 N 0.02004373216793 0.46319667212486 0.83867626773205 14.007 > 125 126 N 0.02004373216793 0.96319667212486 0.83867626773205 14.007 > 125 127 N 0.47995626783207 0.28680332787514 0.33867626773206 14.007 > 127 128 N 0.47995626783207 0.78680332787514 0.33867626773206 14.007 > 127 129 N 0.47995626783207 0.21319667212486 0.83867626773205 14.007 > 129 130 N 0.47995626783207 0.71319667212486 0.83867626773205 14.007 > 129 131 N 0.02004373216793 0.03680332787514 0.33867626773206 14.007 > 131 132 N 0.02004373216793 0.53680332787514 0.33867626773206 14.007 > 131 133 N 0.97995626783207 0.03680332787514 0.16132373226794 14.007 > 133 134 N 0.97995626783207 0.53680332787514 0.16132373226794 14.007 > 133 135 N 0.52004373216793 0.21319667212486 0.66132373226795 14.007 > 135 136 N 0.52004373216793 0.71319667212486 0.66132373226795 14.007 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1733761 0.0000000 0.0000000 0.0000000 5.3989688 0.0000000 0.0000000 0.0000000 5.2517294 -------------------------- Born effective charges -------------------------- 1 Ca 2.4850511 0.0590166 -0.1368238 -0.0440761 2.4100656 -0.0312784 -0.0708257 -0.0725923 2.2755337 2 Ca 2.4850511 0.0590166 0.1368238 -0.0440761 2.4100656 0.0312784 0.0708257 0.0725923 2.2755337 3 Ca 2.4850511 -0.0590166 0.1368238 0.0440761 2.4100656 -0.0312784 0.0708257 -0.0725923 2.2755337 4 Ca 2.4850511 -0.0590166 -0.1368238 0.0440761 2.4100656 0.0312784 -0.0708257 0.0725923 2.2755337 5 Ca 2.4850511 0.0590166 -0.1368238 -0.0440761 2.4100656 -0.0312784 -0.0708257 -0.0725923 2.2755337 6 Ca 2.4850511 0.0590166 0.1368238 -0.0440761 2.4100656 0.0312784 0.0708257 0.0725923 2.2755337 7 Ca 2.4850511 -0.0590166 0.1368238 0.0440761 2.4100656 -0.0312784 0.0708257 -0.0725923 2.2755337 8 Ca 2.4850511 -0.0590166 -0.1368238 0.0440761 2.4100656 0.0312784 -0.0708257 0.0725923 2.2755337 9 Ca 2.3989190 0.0000000 0.0943810 0.0000000 2.4269785 0.0000000 0.1427761 0.0000000 2.4061435 10 Ca 2.3989190 0.0000000 -0.0943810 0.0000000 2.4269785 0.0000000 -0.1427761 0.0000000 2.4061435 11 Ca 2.3989190 0.0000000 0.0943810 0.0000000 2.4269785 0.0000000 0.1427761 0.0000000 2.4061435 12 Ca 2.3989190 0.0000000 -0.0943810 0.0000000 2.4269785 0.0000000 -0.1427761 0.0000000 2.4061435 13 Ca 2.3582691 0.0874509 0.0466498 0.0299960 2.2604086 -0.1496599 0.0552793 -0.0517579 2.5054427 14 Ca 2.3582691 0.0874509 -0.0466498 0.0299960 2.2604086 0.1496599 -0.0552793 0.0517579 2.5054427 15 Ca 2.3582691 -0.0874509 -0.0466498 -0.0299960 2.2604086 -0.1496599 -0.0552793 -0.0517579 2.5054427 16 Ca 2.3582691 -0.0874509 0.0466498 -0.0299960 2.2604086 0.1496599 0.0552793 0.0517579 2.5054427 17 Ca 2.3582691 0.0874509 0.0466498 0.0299960 2.2604086 -0.1496599 0.0552793 -0.0517579 2.5054427 18 Ca 2.3582691 0.0874509 -0.0466498 0.0299960 2.2604086 0.1496599 -0.0552793 0.0517579 2.5054427 19 Ca 2.3582691 -0.0874509 -0.0466498 -0.0299960 2.2604086 -0.1496599 -0.0552793 -0.0517579 2.5054427 20 Ca 2.3582691 -0.0874509 0.0466498 -0.0299960 2.2604086 0.1496599 0.0552793 0.0517579 2.5054427 21 Al 2.5875271 0.1116789 -0.0882405 0.1110068 2.5946038 0.0086021 -0.0408425 0.0098670 2.1024267 22 Al 2.5875271 0.1116789 0.0882405 0.1110068 2.5946038 -0.0086021 0.0408425 -0.0098670 2.1024267 23 Al 2.5875271 -0.1116789 0.0882405 -0.1110068 2.5946038 0.0086021 0.0408425 0.0098670 2.1024267 24 Al 2.5875271 -0.1116789 -0.0882405 -0.1110068 2.5946038 -0.0086021 -0.0408425 -0.0098670 2.1024267 25 Al 2.5875271 0.1116789 -0.0882405 0.1110068 2.5946038 0.0086021 -0.0408425 0.0098670 2.1024267 26 Al 2.5875271 0.1116789 0.0882405 0.1110068 2.5946038 -0.0086021 0.0408425 -0.0098670 2.1024267 27 Al 2.5875271 -0.1116789 0.0882405 -0.1110068 2.5946038 0.0086021 0.0408425 0.0098670 2.1024267 28 Al 2.5875271 -0.1116789 -0.0882405 -0.1110068 2.5946038 -0.0086021 -0.0408425 -0.0098670 2.1024267 29 Si 2.0667979 0.3211447 -0.1510926 0.2873763 2.9174429 -0.2090200 -0.0444546 -0.1990942 3.1277170 30 Si 2.0667979 0.3211447 0.1510926 0.2873763 2.9174429 0.2090200 0.0444546 0.1990942 3.1277170 31 Si 2.0667979 -0.3211447 0.1510926 -0.2873763 2.9174429 -0.2090200 0.0444546 -0.1990942 3.1277170 32 Si 2.0667979 -0.3211447 -0.1510926 -0.2873763 2.9174429 0.2090200 -0.0444546 0.1990942 3.1277170 33 Si 2.0667979 0.3211447 -0.1510926 0.2873763 2.9174429 -0.2090200 -0.0444546 -0.1990942 3.1277170 34 Si 2.0667979 0.3211447 0.1510926 0.2873763 2.9174429 0.2090200 0.0444546 0.1990942 3.1277170 35 Si 2.0667979 -0.3211447 0.1510926 -0.2873763 2.9174429 -0.2090200 0.0444546 -0.1990942 3.1277170 36 Si 2.0667979 -0.3211447 -0.1510926 -0.2873763 2.9174429 0.2090200 -0.0444546 0.1990942 3.1277170 37 N -2.4435790 -0.1850391 0.0635603 -0.2210533 -3.4679147 0.1552484 0.0650487 0.1756794 -2.5659067 38 N -2.4435790 -0.1850391 -0.0635603 -0.2210533 -3.4679147 -0.1552484 -0.0650487 -0.1756794 -2.5659067 39 N -2.4435790 0.1850391 -0.0635603 0.2210533 -3.4679147 0.1552484 -0.0650487 0.1756794 -2.5659067 40 N -2.4435790 0.1850391 0.0635603 0.2210533 -3.4679147 -0.1552484 0.0650487 -0.1756794 -2.5659067 41 N -2.4435790 -0.1850391 0.0635603 -0.2210533 -3.4679147 0.1552484 0.0650487 0.1756794 -2.5659067 42 N -2.4435790 -0.1850391 -0.0635603 -0.2210533 -3.4679147 -0.1552484 -0.0650487 -0.1756794 -2.5659067 43 N -2.4435790 0.1850391 -0.0635603 0.2210533 -3.4679147 0.1552484 -0.0650487 0.1756794 -2.5659067 44 N -2.4435790 0.1850391 0.0635603 0.2210533 -3.4679147 -0.1552484 0.0650487 -0.1756794 -2.5659067 45 N -3.0237258 0.0256636 0.1605789 -0.1040341 -2.2662454 -0.2683484 0.0320568 -0.4268586 -2.8341419 46 N -3.0237258 0.0256636 -0.1605789 -0.1040341 -2.2662454 0.2683484 -0.0320568 0.4268586 -2.8341419 47 N -3.0237258 -0.0256636 -0.1605789 0.1040341 -2.2662454 -0.2683484 -0.0320568 -0.4268586 -2.8341419 48 N -3.0237258 -0.0256636 0.1605789 0.1040341 -2.2662454 0.2683484 0.0320568 0.4268586 -2.8341419 49 N -3.0237258 0.0256636 0.1605789 -0.1040341 -2.2662454 -0.2683484 0.0320568 -0.4268586 -2.8341419 50 N -3.0237258 0.0256636 -0.1605789 -0.1040341 -2.2662454 0.2683484 -0.0320568 0.4268586 -2.8341419 51 N -3.0237258 -0.0256636 -0.1605789 0.1040341 -2.2662454 -0.2683484 -0.0320568 -0.4268586 -2.8341419 52 N -3.0237258 -0.0256636 0.1605789 0.1040341 -2.2662454 0.2683484 0.0320568 0.4268586 -2.8341419 53 N -2.6513726 -0.4078953 0.0605374 -0.3983861 -3.1962630 0.0514559 0.0939935 0.0059778 -2.4437088 54 N -2.6513726 -0.4078953 -0.0605374 -0.3983861 -3.1962630 -0.0514559 -0.0939935 -0.0059778 -2.4437088 55 N -2.6513726 0.4078953 -0.0605374 0.3983861 -3.1962630 0.0514559 -0.0939935 0.0059778 -2.4437088 56 N -2.6513726 0.4078953 0.0605374 0.3983861 -3.1962630 -0.0514559 0.0939935 -0.0059778 -2.4437088 57 N -2.6513726 -0.4078953 0.0605374 -0.3983861 -3.1962630 0.0514559 0.0939935 0.0059778 -2.4437088 58 N -2.6513726 -0.4078953 -0.0605374 -0.3983861 -3.1962630 -0.0514559 -0.0939935 -0.0059778 -2.4437088 59 N -2.6513726 0.4078953 -0.0605374 0.3983861 -3.1962630 0.0514559 -0.0939935 0.0059778 -2.4437088 60 N -2.6513726 0.4078953 0.0605374 0.3983861 -3.1962630 -0.0514559 0.0939935 -0.0059778 -2.4437088 61 N -2.5784272 -0.0828419 0.0270277 -0.0470579 -2.4655870 -0.3361165 0.0721639 -0.2544971 -3.3704345 62 N -2.5784272 -0.0828419 -0.0270277 -0.0470579 -2.4655870 0.3361165 -0.0721639 0.2544971 -3.3704345 63 N -2.5784272 0.0828419 -0.0270277 0.0470579 -2.4655870 -0.3361165 -0.0721639 -0.2544971 -3.3704345 64 N -2.5784272 0.0828419 0.0270277 0.0470579 -2.4655870 0.3361165 0.0721639 0.2544971 -3.3704345 65 N -2.5784272 -0.0828419 0.0270277 -0.0470579 -2.4655870 -0.3361165 0.0721639 -0.2544971 -3.3704345 66 N -2.5784272 -0.0828419 -0.0270277 -0.0470579 -2.4655870 0.3361165 -0.0721639 0.2544971 -3.3704345 67 N -2.5784272 0.0828419 -0.0270277 0.0470579 -2.4655870 -0.3361165 -0.0721639 -0.2544971 -3.3704345 68 N -2.5784272 0.0828419 0.0270277 0.0470579 -2.4655870 0.3361165 0.0721639 0.2544971 -3.3704345 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 3 ] 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: 297, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.806 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.385 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 4.897 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.476 ( 0.000 0.000 0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.605 ( 0.000 0.000 0.000) 0.000 5.656 ( 0.000 0.000 0.000) 0.000 5.658 ( 0.000 0.000 0.000) 0.000 5.809 ( 0.000 0.000 0.000) 0.000 5.904 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.247 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.491 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 6.964 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.164 ( 0.000 0.000 0.000) 0.000 7.343 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 7.819 ( 0.000 0.000 0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 7.935 ( 0.000 0.000 0.000) 0.000 7.975 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.113 ( 0.000 0.000 0.000) 0.000 8.162 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 0.000) 0.000 8.367 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 0.000) 0.000 8.596 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 0.000) 0.000 8.850 ( 0.000 0.000 0.000) 0.000 8.872 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 8.978 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.220 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.416 ( 0.000 0.000 0.000) 0.000 9.516 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 9.722 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.175 ( 0.000 0.000 0.000) 0.000 10.190 ( 0.000 0.000 0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 11.030 ( 0.000 0.000 0.000) 0.000 11.150 ( 0.000 0.000 0.000) 0.000 11.300 ( 0.000 0.000 0.000) 0.000 11.344 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 0.000) 0.000 11.409 ( 0.000 0.000 0.000) 0.000 11.532 ( 0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 11.929 ( 0.000 0.000 0.000) 0.000 11.986 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 12.206 ( 0.000 0.000 0.000) 0.000 12.357 ( 0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 12.752 ( 0.000 0.000 0.000) 0.000 12.820 ( 0.000 0.000 0.000) 0.000 12.879 ( 0.000 0.000 0.000) 0.000 12.887 ( 0.000 0.000 0.000) 0.000 12.926 ( 0.000 0.000 0.000) 0.000 12.948 ( 0.000 0.000 0.000) 0.000 13.026 ( 0.000 0.000 0.000) 0.000 13.069 ( 0.000 0.000 0.000) 0.000 13.100 ( 0.000 0.000 0.000) 0.000 13.165 ( 0.000 0.000 0.000) 0.000 13.356 ( 0.000 0.000 0.000) 0.000 13.476 ( 0.000 0.000 0.000) 0.000 13.616 ( 0.000 0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 14.189 ( 0.000 0.000 0.000) 0.000 14.418 ( 0.000 0.000 0.000) 0.000 14.547 ( 0.000 0.000 0.000) 0.000 14.888 ( 0.000 0.000 0.000) 0.000 15.260 ( 0.000 0.000 0.000) 0.000 15.416 ( 0.000 0.000 0.000) 0.000 15.690 ( 0.000 0.000 0.000) 0.000 15.982 ( 0.000 0.000 0.000) 0.000 16.047 ( 0.000 0.000 0.000) 0.000 16.119 ( 0.000 0.000 0.000) 0.000 16.256 ( 0.000 0.000 0.000) 0.000 16.314 ( 0.000 0.000 0.000) 0.000 16.325 ( 0.000 0.000 0.000) 0.000 16.485 ( 0.000 0.000 0.000) 0.000 16.538 ( 0.000 0.000 0.000) 0.000 16.805 ( 0.000 0.000 0.000) 0.000 16.823 ( 0.000 0.000 0.000) 0.000 16.912 ( 0.000 0.000 0.000) 0.000 17.066 ( 0.000 0.000 0.000) 0.000 17.111 ( 0.000 0.000 0.000) 0.000 17.597 ( 0.000 0.000 0.000) 0.000 17.621 ( 0.000 0.000 0.000) 0.000 17.673 ( 0.000 0.000 0.000) 0.000 17.754 ( 0.000 0.000 0.000) 0.000 17.810 ( 0.000 0.000 0.000) 0.000 18.145 ( 0.000 0.000 0.000) 0.000 18.173 ( 0.000 0.000 0.000) 0.000 18.986 ( 0.000 0.000 0.000) 0.000 19.043 ( 0.000 0.000 0.000) 0.000 19.288 ( 0.000 0.000 0.000) 0.000 19.347 ( 0.000 0.000 0.000) 0.000 19.772 ( 0.000 0.000 0.000) 0.000 19.789 ( 0.000 0.000 0.000) 0.000 20.414 ( 0.000 0.000 0.000) 0.000 20.888 ( 0.000 0.000 0.000) 0.000 21.722 ( 0.000 0.000 0.000) 0.000 23.022 ( 0.000 0.000 0.000) 0.000 23.096 ( 0.000 0.000 0.000) 0.000 23.522 ( 0.000 0.000 0.000) 0.000 23.555 ( 0.000 0.000 0.000) 0.000 23.564 ( 0.000 0.000 0.000) 0.000 23.586 ( 0.000 0.000 0.000) 0.000 23.964 ( 0.000 0.000 0.000) 0.000 24.031 ( 0.000 0.000 0.000) 0.000 24.597 ( 0.000 0.000 0.000) 0.000 24.694 ( 0.000 0.000 0.000) 0.000 25.320 ( 0.000 0.000 0.000) 0.000 25.520 ( 0.000 0.000 0.000) 0.000 25.580 ( 0.000 0.000 0.000) 0.000 25.584 ( 0.000 0.000 0.000) 0.000 25.618 ( 0.000 0.000 0.000) 0.000 25.618 ( 0.000 0.000 0.000) 0.000 25.725 ( 0.000 0.000 0.000) 0.000 25.886 ( 0.000 0.000 0.000) 0.000 25.963 ( 0.000 0.000 0.000) 0.000 25.999 ( 0.000 0.000 0.000) 0.000 26.095 ( 0.000 0.000 0.000) 0.000 26.138 ( 0.000 0.000 0.000) 0.000 26.312 ( 0.000 0.000 0.000) 0.000 26.393 ( 0.000 0.000 0.000) 0.000 26.523 ( 0.000 0.000 0.000) 0.000 26.854 ( 0.000 0.000 0.000) 0.000 26.856 ( 0.000 0.000 0.000) 0.000 26.953 ( 0.000 0.000 0.000) 0.000 27.747 ( 0.000 0.000 0.000) 0.000 27.769 ( 0.000 0.000 0.000) 0.000 28.029 ( 0.000 0.000 0.000) 0.000 28.040 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 42.312 0.000 0.000) 42.312 1.011 ( 45.904 0.000 0.000) 45.904 1.810 ( 79.488 0.000 0.000) 79.488 2.863 ( 8.143 0.000 0.000) 8.143 2.879 ( 2.058 0.000 0.000) 2.058 2.994 ( 22.857 0.000 0.000) 22.857 3.129 ( 17.434 0.000 0.000) 17.434 3.134 ( -17.830 0.000 0.000) 17.830 3.250 ( 2.959 0.000 0.000) 2.959 3.336 ( 3.654 0.000 0.000) 3.654 3.472 ( 10.341 0.000 0.000) 10.341 3.631 ( 7.883 0.000 0.000) 7.883 3.713 ( -15.892 0.000 0.000) 15.892 3.844 ( -0.637 0.000 0.000) 0.637 3.931 ( 1.693 0.000 0.000) 1.693 4.063 ( 4.304 0.000 0.000) 4.304 4.097 ( 5.078 0.000 0.000) 5.078 4.110 ( 0.398 0.000 0.000) 0.398 4.192 ( 2.557 0.000 0.000) 2.557 4.247 ( -4.640 0.000 0.000) 4.640 4.329 ( -8.443 0.000 0.000) 8.443 4.471 ( 0.517 0.000 0.000) 0.517 4.492 ( -8.558 0.000 0.000) 8.558 4.507 ( 0.257 0.000 0.000) 0.257 4.695 ( -8.336 0.000 0.000) 8.336 4.795 ( -2.235 0.000 0.000) 2.235 4.959 ( 10.089 0.000 0.000) 10.089 4.970 ( 1.496 0.000 0.000) 1.496 4.979 ( -10.111 0.000 0.000) 10.111 5.104 ( 0.979 0.000 0.000) 0.979 5.228 ( 11.172 0.000 0.000) 11.172 5.242 ( -3.709 0.000 0.000) 3.709 5.350 ( -2.622 0.000 0.000) 2.622 5.352 ( -0.129 0.000 0.000) 0.129 5.411 ( 3.275 0.000 0.000) 3.275 5.434 ( -1.847 0.000 0.000) 1.847 5.584 ( 0.373 0.000 0.000) 0.373 5.643 ( 2.071 0.000 0.000) 2.071 5.670 ( 0.926 0.000 0.000) 0.926 5.789 ( 10.480 0.000 0.000) 10.480 5.835 ( 11.325 0.000 0.000) 11.325 5.892 ( 13.288 0.000 0.000) 13.288 5.905 ( -1.266 0.000 0.000) 1.266 5.917 ( 5.447 0.000 0.000) 5.447 5.939 ( 1.531 0.000 0.000) 1.531 5.978 ( 8.444 0.000 0.000) 8.444 6.114 ( 2.016 0.000 0.000) 2.016 6.156 ( 11.435 0.000 0.000) 11.435 6.375 ( 3.788 0.000 0.000) 3.788 6.395 ( -7.961 0.000 0.000) 7.961 6.417 ( 2.965 0.000 0.000) 2.965 6.451 ( -4.560 0.000 0.000) 4.560 6.480 ( -9.869 0.000 0.000) 9.869 6.534 ( -5.470 0.000 0.000) 5.470 6.657 ( -8.806 0.000 0.000) 8.806 6.746 ( 2.180 0.000 0.000) 2.180 6.752 ( 7.295 0.000 0.000) 7.295 6.965 ( -8.865 0.000 0.000) 8.865 6.988 ( 5.690 0.000 0.000) 5.690 7.035 ( 2.578 0.000 0.000) 2.578 7.226 ( -31.001 0.000 0.000) 31.001 7.246 ( 1.549 0.000 0.000) 1.549 7.270 ( -17.137 0.000 0.000) 17.137 7.300 ( 12.719 0.000 0.000) 12.719 7.317 ( 3.057 0.000 0.000) 3.057 7.319 ( 1.544 0.000 0.000) 1.544 7.481 ( -13.005 0.000 0.000) 13.005 7.538 ( -17.118 0.000 0.000) 17.118 7.566 ( 13.370 0.000 0.000) 13.370 7.700 ( -13.829 0.000 0.000) 13.829 7.869 ( -16.148 0.000 0.000) 16.148 7.883 ( -8.580 0.000 0.000) 8.580 7.890 ( -11.183 0.000 0.000) 11.183 7.934 ( 0.446 0.000 0.000) 0.446 7.956 ( -1.467 0.000 0.000) 1.467 8.079 ( 3.323 0.000 0.000) 3.323 8.119 ( -2.701 0.000 0.000) 2.701 8.180 ( -8.010 0.000 0.000) 8.010 8.259 ( 1.079 0.000 0.000) 1.079 8.319 ( -8.775 0.000 0.000) 8.775 8.469 ( -11.508 0.000 0.000) 11.508 8.567 ( -1.509 0.000 0.000) 1.509 8.651 ( 0.033 0.000 0.000) 0.033 8.661 ( 0.733 0.000 0.000) 0.733 8.799 ( -2.389 0.000 0.000) 2.389 8.888 ( -0.407 0.000 0.000) 0.407 8.908 ( -5.021 0.000 0.000) 5.021 8.924 ( -0.325 0.000 0.000) 0.325 8.963 ( 3.159 0.000 0.000) 3.159 9.088 ( 7.087 0.000 0.000) 7.087 9.139 ( -9.302 0.000 0.000) 9.302 9.244 ( -0.321 0.000 0.000) 0.321 9.300 ( -9.388 0.000 0.000) 9.388 9.465 ( -7.351 0.000 0.000) 7.351 9.521 ( -9.996 0.000 0.000) 9.996 9.591 ( 13.932 0.000 0.000) 13.932 9.749 ( 11.671 0.000 0.000) 11.671 9.806 ( 3.310 0.000 0.000) 3.310 9.941 ( 5.171 0.000 0.000) 5.171 9.981 ( -8.336 0.000 0.000) 8.336 10.072 ( -7.755 0.000 0.000) 7.755 10.201 ( 6.799 0.000 0.000) 6.799 10.357 ( 9.825 0.000 0.000) 9.825 10.411 ( 9.318 0.000 0.000) 9.318 10.435 ( -3.840 0.000 0.000) 3.840 10.614 ( -7.872 0.000 0.000) 7.872 10.763 ( 0.492 0.000 0.000) 0.492 11.018 ( -12.003 0.000 0.000) 12.003 11.121 ( -11.210 0.000 0.000) 11.210 11.122 ( -3.152 0.000 0.000) 3.152 11.462 ( 3.752 0.000 0.000) 3.752 11.626 ( 7.225 0.000 0.000) 7.225 11.683 ( 8.890 0.000 0.000) 8.890 11.751 ( 4.922 0.000 0.000) 4.922 11.891 ( 3.189 0.000 0.000) 3.189 11.926 ( -0.142 0.000 0.000) 0.142 11.949 ( -2.733 0.000 0.000) 2.733 12.225 ( -1.874 0.000 0.000) 1.874 12.255 ( 11.338 0.000 0.000) 11.338 12.339 ( 11.370 0.000 0.000) 11.370 12.549 ( 2.475 0.000 0.000) 2.475 12.649 ( -7.594 0.000 0.000) 7.594 12.683 ( 21.754 0.000 0.000) 21.754 12.742 ( -1.903 0.000 0.000) 1.903 12.828 ( -2.179 0.000 0.000) 2.179 12.895 ( 2.942 0.000 0.000) 2.942 13.060 ( -0.614 0.000 0.000) 0.614 13.066 ( -0.229 0.000 0.000) 0.229 13.100 ( -0.095 0.000 0.000) 0.095 13.142 ( 5.262 0.000 0.000) 5.262 13.147 ( 10.522 0.000 0.000) 10.522 13.230 ( 5.336 0.000 0.000) 5.336 13.398 ( 3.610 0.000 0.000) 3.610 13.447 ( -1.825 0.000 0.000) 1.825 13.598 ( -1.608 0.000 0.000) 1.608 13.915 ( 4.389 0.000 0.000) 4.389 14.160 ( -2.234 0.000 0.000) 2.234 14.372 ( -14.965 0.000 0.000) 14.965 14.449 ( 3.297 0.000 0.000) 3.297 14.879 ( -0.785 0.000 0.000) 0.785 15.103 ( -10.258 0.000 0.000) 10.258 15.287 ( -11.703 0.000 0.000) 11.703 15.785 ( 5.136 0.000 0.000) 5.136 15.968 ( -1.142 0.000 0.000) 1.142 15.986 ( -3.610 0.000 0.000) 3.610 16.168 ( 2.994 0.000 0.000) 2.994 16.169 ( -11.198 0.000 0.000) 11.198 16.322 ( 8.094 0.000 0.000) 8.094 16.374 ( 4.032 0.000 0.000) 4.032 16.537 ( -1.598 0.000 0.000) 1.598 16.625 ( 10.753 0.000 0.000) 10.753 16.672 ( -6.849 0.000 0.000) 6.849 16.869 ( -0.685 0.000 0.000) 0.685 16.952 ( 3.436 0.000 0.000) 3.436 17.084 ( 1.402 0.000 0.000) 1.402 17.349 ( -3.432 0.000 0.000) 3.432 17.552 ( -3.422 0.000 0.000) 3.422 17.572 ( -4.166 0.000 0.000) 4.166 17.641 ( -2.346 0.000 0.000) 2.346 17.709 ( -3.017 0.000 0.000) 3.017 17.916 ( 7.412 0.000 0.000) 7.412 18.160 ( -0.837 0.000 0.000) 0.837 18.568 ( 7.936 0.000 0.000) 7.936 18.984 ( -0.384 0.000 0.000) 0.384 19.153 ( 9.870 0.000 0.000) 9.870 19.262 ( -2.139 0.000 0.000) 2.139 19.301 ( -3.861 0.000 0.000) 3.861 19.878 ( 3.274 0.000 0.000) 3.274 20.418 ( 3.795 0.000 0.000) 3.795 20.513 ( 3.803 0.000 0.000) 3.803 20.849 ( -3.472 0.000 0.000) 3.472 21.553 ( -14.597 0.000 0.000) 14.597 23.142 ( 9.585 0.000 0.000) 9.585 23.552 ( -1.297 0.000 0.000) 1.297 23.560 ( 3.409 0.000 0.000) 3.409 23.565 ( 0.794 0.000 0.000) 0.794 23.590 ( 0.296 0.000 0.000) 0.296 23.918 ( -3.939 0.000 0.000) 3.939 24.042 ( 0.911 0.000 0.000) 0.911 24.118 ( -0.540 0.000 0.000) 0.540 24.696 ( 0.187 0.000 0.000) 0.187 24.724 ( -0.359 0.000 0.000) 0.359 25.357 ( 3.292 0.000 0.000) 3.292 25.518 ( -0.048 0.000 0.000) 0.048 25.575 ( -0.674 0.000 0.000) 0.674 25.576 ( -0.210 0.000 0.000) 0.210 25.608 ( -0.840 0.000 0.000) 0.840 25.626 ( 0.451 0.000 0.000) 0.451 25.771 ( 3.121 0.000 0.000) 3.121 25.842 ( -3.127 0.000 0.000) 3.127 25.973 ( -2.702 0.000 0.000) 2.702 26.081 ( -4.280 0.000 0.000) 4.280 26.148 ( 4.022 0.000 0.000) 4.022 26.366 ( -2.090 0.000 0.000) 2.090 26.382 ( 5.366 0.000 0.000) 5.366 26.549 ( 2.094 0.000 0.000) 2.094 26.806 ( -3.624 0.000 0.000) 3.624 26.827 ( -2.343 0.000 0.000) 2.343 26.930 ( -1.992 0.000 0.000) 1.992 26.946 ( -3.429 0.000 0.000) 3.429 27.763 ( 1.633 0.000 0.000) 1.633 27.785 ( 1.511 0.000 0.000) 1.511 27.997 ( -2.809 0.000 0.000) 2.809 28.006 ( -2.993 0.000 0.000) 2.993 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 38.393 0.000 0.000) 38.393 1.972 ( 41.643 0.000 0.000) 41.643 2.576 ( -29.627 0.000 0.000) 29.627 2.721 ( -22.312 0.000 0.000) 22.312 3.097 ( 11.946 0.000 0.000) 11.946 3.214 ( 24.575 0.000 0.000) 24.575 3.251 ( 3.707 0.000 0.000) 3.707 3.307 ( 6.766 0.000 0.000) 6.766 3.351 ( -9.903 0.000 0.000) 9.903 3.420 ( 2.890 0.000 0.000) 2.890 3.554 ( 17.213 0.000 0.000) 17.213 3.762 ( 3.614 0.000 0.000) 3.614 3.818 ( -1.442 0.000 0.000) 1.442 3.852 ( -5.728 0.000 0.000) 5.728 3.900 ( 21.088 0.000 0.000) 21.088 4.111 ( -1.187 0.000 0.000) 1.187 4.125 ( -0.663 0.000 0.000) 0.663 4.158 ( -0.201 0.000 0.000) 0.201 4.201 ( 5.014 0.000 0.000) 5.014 4.289 ( 10.515 0.000 0.000) 10.515 4.318 ( -6.002 0.000 0.000) 6.002 4.389 ( 15.124 0.000 0.000) 15.124 4.487 ( -2.379 0.000 0.000) 2.379 4.520 ( 6.114 0.000 0.000) 6.114 4.638 ( -1.197 0.000 0.000) 1.197 4.727 ( -10.012 0.000 0.000) 10.012 4.730 ( -3.293 0.000 0.000) 3.293 5.036 ( -14.782 0.000 0.000) 14.782 5.047 ( 5.962 0.000 0.000) 5.962 5.171 ( -4.048 0.000 0.000) 4.048 5.172 ( 6.113 0.000 0.000) 6.113 5.360 ( -0.538 0.000 0.000) 0.538 5.394 ( -0.319 0.000 0.000) 0.319 5.427 ( -19.876 0.000 0.000) 19.876 5.516 ( 16.148 0.000 0.000) 16.148 5.527 ( 7.377 0.000 0.000) 7.377 5.590 ( 18.792 0.000 0.000) 18.792 5.664 ( 3.880 0.000 0.000) 3.880 5.719 ( 4.258 0.000 0.000) 4.258 5.757 ( -8.460 0.000 0.000) 8.460 5.881 ( 1.273 0.000 0.000) 1.273 5.901 ( -5.195 0.000 0.000) 5.195 6.022 ( -6.427 0.000 0.000) 6.427 6.039 ( 1.655 0.000 0.000) 1.655 6.092 ( -1.676 0.000 0.000) 1.676 6.131 ( 10.580 0.000 0.000) 10.580 6.142 ( -12.932 0.000 0.000) 12.932 6.302 ( -5.856 0.000 0.000) 5.856 6.335 ( 9.087 0.000 0.000) 9.087 6.339 ( 7.198 0.000 0.000) 7.198 6.378 ( 7.650 0.000 0.000) 7.650 6.391 ( 0.796 0.000 0.000) 0.796 6.420 ( 3.093 0.000 0.000) 3.093 6.512 ( 4.029 0.000 0.000) 4.029 6.525 ( -12.369 0.000 0.000) 12.369 6.628 ( -3.255 0.000 0.000) 3.255 6.640 ( -15.170 0.000 0.000) 15.170 6.764 ( -18.747 0.000 0.000) 18.747 6.920 ( 3.729 0.000 0.000) 3.729 6.946 ( -4.520 0.000 0.000) 4.520 7.072 ( 0.547 0.000 0.000) 0.547 7.153 ( -0.347 0.000 0.000) 0.347 7.182 ( -6.447 0.000 0.000) 6.447 7.195 ( -11.417 0.000 0.000) 11.417 7.198 ( 8.655 0.000 0.000) 8.655 7.379 ( -2.328 0.000 0.000) 2.328 7.397 ( 2.898 0.000 0.000) 2.898 7.499 ( -9.049 0.000 0.000) 9.049 7.501 ( -5.652 0.000 0.000) 5.652 7.574 ( 11.408 0.000 0.000) 11.408 7.588 ( -15.173 0.000 0.000) 15.173 7.725 ( -4.008 0.000 0.000) 4.008 7.852 ( -4.583 0.000 0.000) 4.583 7.949 ( 3.521 0.000 0.000) 3.521 7.958 ( 19.627 0.000 0.000) 19.627 7.974 ( -15.903 0.000 0.000) 15.903 8.023 ( -5.081 0.000 0.000) 5.081 8.192 ( 12.454 0.000 0.000) 12.454 8.194 ( 6.341 0.000 0.000) 6.341 8.330 ( -5.654 0.000 0.000) 5.654 8.397 ( -16.728 0.000 0.000) 16.728 8.450 ( 13.856 0.000 0.000) 13.856 8.529 ( -8.214 0.000 0.000) 8.214 8.639 ( -1.310 0.000 0.000) 1.310 8.747 ( -10.941 0.000 0.000) 10.941 8.764 ( -0.157 0.000 0.000) 0.157 8.803 ( -24.534 0.000 0.000) 24.534 8.844 ( -8.949 0.000 0.000) 8.949 8.963 ( 4.910 0.000 0.000) 4.910 8.976 ( 3.006 0.000 0.000) 3.006 9.140 ( 5.163 0.000 0.000) 5.163 9.197 ( 0.669 0.000 0.000) 0.669 9.398 ( 10.507 0.000 0.000) 10.507 9.406 ( 3.560 0.000 0.000) 3.560 9.529 ( 10.047 0.000 0.000) 10.047 9.583 ( -4.689 0.000 0.000) 4.689 9.739 ( -13.550 0.000 0.000) 13.550 9.817 ( -14.147 0.000 0.000) 14.147 10.051 ( 10.978 0.000 0.000) 10.978 10.053 ( 10.308 0.000 0.000) 10.308 10.078 ( 5.685 0.000 0.000) 5.685 10.245 ( -9.205 0.000 0.000) 9.205 10.253 ( 0.222 0.000 0.000) 0.222 10.396 ( -11.098 0.000 0.000) 11.098 10.573 ( 10.774 0.000 0.000) 10.774 10.716 ( 14.980 0.000 0.000) 14.980 10.793 ( -7.140 0.000 0.000) 7.140 10.830 ( 0.524 0.000 0.000) 0.524 10.914 ( -6.629 0.000 0.000) 6.629 10.988 ( -9.486 0.000 0.000) 9.486 11.611 ( 8.270 0.000 0.000) 8.270 11.743 ( -2.559 0.000 0.000) 2.559 11.781 ( 6.184 0.000 0.000) 6.184 11.858 ( 3.917 0.000 0.000) 3.917 11.884 ( -3.471 0.000 0.000) 3.471 11.913 ( -1.313 0.000 0.000) 1.313 12.008 ( 6.865 0.000 0.000) 6.865 12.147 ( -5.324 0.000 0.000) 5.324 12.451 ( 5.558 0.000 0.000) 5.558 12.531 ( -3.449 0.000 0.000) 3.449 12.614 ( 3.446 0.000 0.000) 3.446 12.621 ( 12.325 0.000 0.000) 12.325 12.688 ( -3.071 0.000 0.000) 3.071 12.808 ( -4.205 0.000 0.000) 4.205 12.849 ( 3.995 0.000 0.000) 3.995 12.971 ( -6.174 0.000 0.000) 6.174 13.050 ( -0.100 0.000 0.000) 0.100 13.061 ( -0.645 0.000 0.000) 0.645 13.258 ( 3.791 0.000 0.000) 3.791 13.296 ( 1.296 0.000 0.000) 1.296 13.303 ( 19.334 0.000 0.000) 19.334 13.360 ( 5.489 0.000 0.000) 5.489 13.451 ( 2.552 0.000 0.000) 2.552 13.470 ( 1.759 0.000 0.000) 1.759 13.573 ( 2.968 0.000 0.000) 2.968 13.953 ( -22.396 0.000 0.000) 22.396 14.028 ( 4.965 0.000 0.000) 4.965 14.107 ( -2.640 0.000 0.000) 2.640 14.603 ( 11.855 0.000 0.000) 11.855 14.866 ( 0.242 0.000 0.000) 0.242 14.922 ( -5.468 0.000 0.000) 5.468 14.947 ( -17.861 0.000 0.000) 17.861 15.858 ( 2.485 0.000 0.000) 2.485 15.938 ( -0.780 0.000 0.000) 0.780 15.943 ( -0.968 0.000 0.000) 0.968 15.953 ( -7.255 0.000 0.000) 7.255 16.274 ( 6.847 0.000 0.000) 6.847 16.436 ( -7.189 0.000 0.000) 7.189 16.461 ( 4.138 0.000 0.000) 4.138 16.551 ( -4.297 0.000 0.000) 4.297 16.558 ( 11.622 0.000 0.000) 11.622 16.777 ( -7.659 0.000 0.000) 7.659 16.877 ( 10.942 0.000 0.000) 10.942 17.020 ( -0.128 0.000 0.000) 0.128 17.117 ( 2.927 0.000 0.000) 2.927 17.236 ( -6.356 0.000 0.000) 6.356 17.479 ( -2.857 0.000 0.000) 2.857 17.482 ( -2.461 0.000 0.000) 2.461 17.608 ( -0.063 0.000 0.000) 0.063 17.641 ( -2.778 0.000 0.000) 2.778 18.063 ( 5.230 0.000 0.000) 5.230 18.136 ( -1.766 0.000 0.000) 1.766 18.773 ( 9.751 0.000 0.000) 9.751 18.941 ( -4.660 0.000 0.000) 4.660 19.214 ( -1.738 0.000 0.000) 1.738 19.217 ( -2.543 0.000 0.000) 2.543 19.442 ( 15.519 0.000 0.000) 15.519 19.764 ( -12.338 0.000 0.000) 12.338 20.620 ( 5.752 0.000 0.000) 5.752 20.690 ( 19.184 0.000 0.000) 19.184 20.747 ( -5.598 0.000 0.000) 5.598 21.147 ( -21.279 0.000 0.000) 21.279 23.357 ( 8.726 0.000 0.000) 8.726 23.496 ( -4.156 0.000 0.000) 4.156 23.583 ( 0.779 0.000 0.000) 0.779 23.593 ( -0.092 0.000 0.000) 0.092 23.666 ( 6.137 0.000 0.000) 6.137 23.806 ( -6.174 0.000 0.000) 6.174 24.068 ( 1.428 0.000 0.000) 1.428 24.098 ( -1.219 0.000 0.000) 1.219 24.703 ( 0.428 0.000 0.000) 0.428 24.714 ( -0.539 0.000 0.000) 0.539 25.454 ( 5.053 0.000 0.000) 5.053 25.517 ( -0.384 0.000 0.000) 0.384 25.563 ( -0.098 0.000 0.000) 0.098 25.576 ( 0.266 0.000 0.000) 0.266 25.588 ( -0.830 0.000 0.000) 0.830 25.603 ( -3.097 0.000 0.000) 3.097 25.808 ( 1.257 0.000 0.000) 1.257 25.861 ( 4.913 0.000 0.000) 4.913 25.885 ( -4.746 0.000 0.000) 4.746 25.974 ( -5.288 0.000 0.000) 5.288 26.240 ( 4.041 0.000 0.000) 4.041 26.314 ( -2.758 0.000 0.000) 2.758 26.510 ( 5.599 0.000 0.000) 5.599 26.582 ( -0.294 0.000 0.000) 0.294 26.748 ( -0.952 0.000 0.000) 0.952 26.769 ( -2.436 0.000 0.000) 2.436 26.872 ( -2.235 0.000 0.000) 2.235 26.878 ( -2.212 0.000 0.000) 2.212 27.823 ( 3.883 0.000 0.000) 3.883 27.836 ( 3.225 0.000 0.000) 3.225 27.918 ( -4.041 0.000 0.000) 4.041 27.920 ( -4.585 0.000 0.000) 4.585 ======================= Grid point 5 (4/30) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 48.316 0.000) 48.316 1.023 ( 0.000 49.580 0.000) 49.580 1.740 ( 0.000 81.720 0.000) 81.720 2.826 ( 0.000 15.987 0.000) 15.987 2.929 ( 0.000 7.960 0.000) 7.960 2.929 ( 0.000 10.918 0.000) 10.918 2.994 ( 0.000 9.619 0.000) 9.619 3.181 ( 0.000 2.231 0.000) 2.231 3.274 ( 0.000 -1.575 0.000) 1.575 3.289 ( 0.000 7.950 0.000) 7.950 3.397 ( 0.000 2.113 0.000) 2.113 3.520 ( 0.000 6.229 0.000) 6.229 3.839 ( 0.000 -1.864 0.000) 1.864 3.930 ( 0.000 1.438 0.000) 1.438 3.975 ( 0.000 3.480 0.000) 3.480 4.034 ( 0.000 5.093 0.000) 5.093 4.131 ( 0.000 1.846 0.000) 1.846 4.221 ( 0.000 17.819 0.000) 17.819 4.340 ( 0.000 -0.234 0.000) 0.234 4.377 ( 0.000 0.034 0.000) 0.034 4.489 ( 0.000 3.266 0.000) 3.266 4.576 ( 0.000 3.364 0.000) 3.364 4.625 ( 0.000 1.249 0.000) 1.249 4.669 ( 0.000 8.580 0.000) 8.580 4.827 ( 0.000 -5.268 0.000) 5.268 4.831 ( 0.000 1.384 0.000) 1.384 4.864 ( 0.000 3.207 0.000) 3.207 4.961 ( 0.000 6.900 0.000) 6.900 5.062 ( 0.000 5.489 0.000) 5.489 5.141 ( 0.000 8.179 0.000) 8.179 5.144 ( 0.000 3.780 0.000) 3.780 5.151 ( 0.000 -7.903 0.000) 7.903 5.290 ( 0.000 18.615 0.000) 18.615 5.446 ( 0.000 -0.175 0.000) 0.175 5.471 ( 0.000 -0.314 0.000) 0.314 5.481 ( 0.000 4.054 0.000) 4.054 5.629 ( 0.000 10.901 0.000) 10.901 5.685 ( 0.000 2.823 0.000) 2.823 5.685 ( 0.000 16.041 0.000) 16.041 5.782 ( 0.000 2.227 0.000) 2.227 5.800 ( 0.000 6.925 0.000) 6.925 5.823 ( 0.000 15.485 0.000) 15.485 5.881 ( 0.000 3.175 0.000) 3.175 5.897 ( 0.000 -2.091 0.000) 2.091 5.928 ( 0.000 -4.949 0.000) 4.949 5.991 ( 0.000 19.326 0.000) 19.326 6.009 ( 0.000 9.488 0.000) 9.488 6.180 ( 0.000 -6.794 0.000) 6.794 6.227 ( 0.000 -7.861 0.000) 7.861 6.363 ( 0.000 -1.850 0.000) 1.850 6.383 ( 0.000 6.947 0.000) 6.947 6.540 ( 0.000 9.245 0.000) 9.245 6.583 ( 0.000 -0.867 0.000) 0.867 6.681 ( 0.000 1.538 0.000) 1.538 6.703 ( 0.000 1.371 0.000) 1.371 6.732 ( 0.000 7.348 0.000) 7.348 6.953 ( 0.000 -5.985 0.000) 5.985 6.970 ( 0.000 -0.946 0.000) 0.946 6.988 ( 0.000 2.366 0.000) 2.366 7.025 ( 0.000 -8.195 0.000) 8.195 7.117 ( 0.000 4.886 0.000) 4.886 7.162 ( 0.000 -1.225 0.000) 1.225 7.297 ( 0.000 -3.730 0.000) 3.730 7.354 ( 0.000 11.683 0.000) 11.683 7.398 ( 0.000 -3.975 0.000) 3.975 7.403 ( 0.000 -6.667 0.000) 6.667 7.682 ( 0.000 19.758 0.000) 19.758 7.804 ( 0.000 -4.726 0.000) 4.726 7.851 ( 0.000 -10.722 0.000) 10.722 7.860 ( 0.000 -11.224 0.000) 11.224 7.892 ( 0.000 8.017 0.000) 8.017 7.946 ( 0.000 -2.155 0.000) 2.155 8.019 ( 0.000 2.970 0.000) 2.970 8.022 ( 0.000 2.268 0.000) 2.268 8.034 ( 0.000 2.511 0.000) 2.511 8.189 ( 0.000 2.031 0.000) 2.031 8.314 ( 0.000 -3.300 0.000) 3.300 8.316 ( 0.000 12.215 0.000) 12.215 8.340 ( 0.000 2.706 0.000) 2.706 8.490 ( 0.000 0.962 0.000) 0.962 8.493 ( 0.000 -12.733 0.000) 12.733 8.545 ( 0.000 -6.067 0.000) 6.067 8.731 ( 0.000 -1.644 0.000) 1.644 8.788 ( 0.000 -17.868 0.000) 17.868 8.846 ( 0.000 -7.571 0.000) 7.571 8.869 ( 0.000 -10.735 0.000) 10.735 8.894 ( 0.000 1.147 0.000) 1.147 8.962 ( 0.000 -0.087 0.000) 0.087 8.977 ( 0.000 6.845 0.000) 6.845 9.143 ( 0.000 -6.205 0.000) 6.205 9.151 ( 0.000 3.524 0.000) 3.524 9.244 ( 0.000 -4.759 0.000) 4.759 9.445 ( 0.000 -1.102 0.000) 1.102 9.467 ( 0.000 -1.785 0.000) 1.785 9.486 ( 0.000 -9.061 0.000) 9.061 9.559 ( 0.000 0.732 0.000) 0.732 9.695 ( 0.000 -3.179 0.000) 3.179 9.706 ( 0.000 -10.980 0.000) 10.980 9.835 ( 0.000 -3.677 0.000) 3.677 9.861 ( 0.000 5.559 0.000) 5.559 10.061 ( 0.000 -8.608 0.000) 8.608 10.081 ( 0.000 -4.943 0.000) 4.943 10.139 ( 0.000 7.648 0.000) 7.648 10.176 ( 0.000 3.865 0.000) 3.865 10.304 ( 0.000 -4.416 0.000) 4.416 10.452 ( 0.000 4.688 0.000) 4.688 10.762 ( 0.000 -4.840 0.000) 4.840 10.964 ( 0.000 -6.190 0.000) 6.190 11.013 ( 0.000 -12.489 0.000) 12.489 11.284 ( 0.000 -7.960 0.000) 7.960 11.344 ( 0.000 -3.131 0.000) 3.131 11.505 ( 0.000 8.232 0.000) 8.232 11.624 ( 0.000 15.709 0.000) 15.709 11.740 ( 0.000 -4.840 0.000) 4.840 11.896 ( 0.000 1.062 0.000) 1.062 11.914 ( 0.000 -3.381 0.000) 3.381 11.934 ( 0.000 18.479 0.000) 18.479 12.011 ( 0.000 1.994 0.000) 1.994 12.046 ( 0.000 -0.829 0.000) 0.829 12.047 ( 0.000 -13.171 0.000) 13.171 12.422 ( 0.000 3.789 0.000) 3.789 12.568 ( 0.000 3.170 0.000) 3.170 12.747 ( 0.000 -3.574 0.000) 3.574 12.812 ( 0.000 -1.895 0.000) 1.895 12.821 ( 0.000 -2.763 0.000) 2.763 12.931 ( 0.000 4.371 0.000) 4.371 12.958 ( 0.000 2.629 0.000) 2.629 13.015 ( 0.000 0.991 0.000) 0.991 13.059 ( 0.000 6.870 0.000) 6.870 13.080 ( 0.000 0.300 0.000) 0.300 13.088 ( 0.000 -0.034 0.000) 0.034 13.238 ( 0.000 5.351 0.000) 5.351 13.375 ( 0.000 2.340 0.000) 2.340 13.424 ( 0.000 -3.405 0.000) 3.405 13.674 ( 0.000 4.202 0.000) 4.202 13.685 ( 0.000 -16.363 0.000) 16.363 14.024 ( 0.000 -11.000 0.000) 11.000 14.380 ( 0.000 -3.677 0.000) 3.677 14.670 ( 0.000 5.976 0.000) 5.976 14.709 ( 0.000 -15.738 0.000) 15.738 15.431 ( 0.000 1.842 0.000) 1.842 15.603 ( 0.000 -9.139 0.000) 9.139 15.698 ( 0.000 1.209 0.000) 1.209 15.888 ( 0.000 -13.723 0.000) 13.723 15.929 ( 0.000 -5.068 0.000) 5.068 15.951 ( 0.000 -14.870 0.000) 14.870 15.954 ( 0.000 -26.372 0.000) 26.372 16.328 ( 0.000 0.599 0.000) 0.599 16.481 ( 0.000 0.188 0.000) 0.188 16.509 ( 0.000 -2.994 0.000) 2.994 16.582 ( 0.000 7.753 0.000) 7.753 16.680 ( 0.000 -6.641 0.000) 6.641 16.762 ( 0.000 -3.404 0.000) 3.404 17.108 ( 0.000 9.478 0.000) 9.478 17.124 ( 0.000 0.809 0.000) 0.809 17.246 ( 0.000 11.556 0.000) 11.556 17.480 ( 0.000 -7.664 0.000) 7.664 17.582 ( 0.000 -1.352 0.000) 1.352 17.790 ( 0.000 3.328 0.000) 3.328 17.809 ( 0.000 6.893 0.000) 6.893 17.891 ( 0.000 -1.057 0.000) 1.057 18.166 ( 0.000 1.961 0.000) 1.961 18.171 ( 0.000 -0.192 0.000) 0.192 18.986 ( 0.000 0.082 0.000) 0.082 19.064 ( 0.000 2.008 0.000) 2.008 19.253 ( 0.000 -8.860 0.000) 8.860 19.265 ( 0.000 -2.178 0.000) 2.178 19.811 ( 0.000 3.789 0.000) 3.789 19.836 ( 0.000 4.419 0.000) 4.419 20.299 ( 0.000 -10.536 0.000) 10.536 20.831 ( 0.000 -5.518 0.000) 5.518 21.623 ( 0.000 -20.042 0.000) 20.042 23.062 ( 0.000 3.857 0.000) 3.857 23.137 ( 0.000 3.933 0.000) 3.933 23.512 ( 0.000 -0.786 0.000) 0.786 23.550 ( 0.000 -0.461 0.000) 0.461 23.556 ( 0.000 -0.734 0.000) 0.734 23.582 ( 0.000 -0.380 0.000) 0.380 23.994 ( 0.000 -2.792 0.000) 2.792 24.036 ( 0.000 -0.368 0.000) 0.368 24.594 ( 0.000 -0.249 0.000) 0.249 24.669 ( 0.000 -1.990 0.000) 1.990 25.307 ( 0.000 -0.952 0.000) 0.952 25.535 ( 0.000 1.567 0.000) 1.567 25.578 ( 0.000 -0.483 0.000) 0.483 25.668 ( 0.000 1.962 0.000) 1.962 25.713 ( 0.000 8.329 0.000) 8.329 25.796 ( 0.000 6.349 0.000) 6.349 25.887 ( 0.000 0.168 0.000) 0.168 25.923 ( 0.000 -9.120 0.000) 9.120 25.976 ( 0.000 0.877 0.000) 0.877 26.009 ( 0.000 4.423 0.000) 4.423 26.062 ( 0.000 5.635 0.000) 5.635 26.113 ( 0.000 -2.141 0.000) 2.141 26.308 ( 0.000 1.738 0.000) 1.738 26.466 ( 0.000 -4.778 0.000) 4.778 26.932 ( 0.000 7.277 0.000) 7.277 27.016 ( 0.000 5.906 0.000) 5.906 27.124 ( 0.000 18.299 0.000) 18.299 27.705 ( 0.000 0.731 0.000) 0.731 27.898 ( 0.000 15.353 0.000) 15.353 28.083 ( 0.000 5.767 0.000) 5.767 28.141 ( 0.000 8.582 0.000) 8.582 29.181 ( 0.000 -2.579 0.000) 2.579 ======================= Grid point 6 (5/30) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 27.807 35.686 0.000) 45.240 1.406 ( 30.601 31.851 0.000) 44.169 2.473 ( 54.384 52.696 0.000) 75.727 2.911 ( 0.462 3.923 0.000) 3.951 3.064 ( 6.978 14.951 0.000) 16.500 3.090 ( 12.307 6.950 0.000) 14.133 3.139 ( -2.288 2.794 0.000) 3.611 3.176 ( 14.555 4.105 0.000) 15.123 3.255 ( -1.519 6.190 0.000) 6.374 3.342 ( 7.346 2.076 0.000) 7.633 3.515 ( 10.238 1.906 0.000) 10.414 3.648 ( 12.408 9.297 0.000) 15.504 3.707 ( -12.537 -0.277 0.000) 12.540 3.922 ( -0.508 4.149 0.000) 4.180 3.947 ( -2.440 0.503 0.000) 2.491 4.111 ( -0.604 0.356 0.000) 0.702 4.120 ( 6.651 5.639 0.000) 8.719 4.254 ( 0.843 13.305 0.000) 13.331 4.268 ( -6.148 1.807 0.000) 6.408 4.339 ( -3.881 3.814 0.000) 5.442 4.406 ( -3.861 7.556 0.000) 8.485 4.515 ( -6.475 3.111 0.000) 7.184 4.521 ( 0.854 4.267 0.000) 4.352 4.646 ( -0.306 5.056 0.000) 5.065 4.737 ( -2.863 8.088 0.000) 8.580 4.869 ( 2.320 4.097 0.000) 4.708 5.021 ( 5.939 6.542 0.000) 8.835 5.059 ( -7.079 5.362 0.000) 8.880 5.072 ( -0.033 4.229 0.000) 4.229 5.144 ( 4.062 3.658 0.000) 5.466 5.179 ( 1.570 -6.573 0.000) 6.758 5.224 ( 2.689 8.367 0.000) 8.788 5.284 ( 3.667 -4.642 0.000) 5.916 5.355 ( -4.485 0.714 0.000) 4.541 5.438 ( 8.861 0.211 0.000) 8.864 5.524 ( -0.362 7.092 0.000) 7.101 5.635 ( -1.555 10.756 0.000) 10.868 5.644 ( 0.742 3.244 0.000) 3.328 5.761 ( 4.784 6.002 0.000) 7.675 5.821 ( 1.421 5.241 0.000) 5.430 5.823 ( 3.142 0.479 0.000) 3.178 5.902 ( -0.441 -0.019 0.000) 0.441 5.941 ( 5.507 -1.322 0.000) 5.663 5.989 ( 5.999 2.091 0.000) 6.353 5.999 ( 2.050 11.305 0.000) 11.489 6.040 ( 12.227 12.193 0.000) 17.267 6.095 ( 3.153 -3.887 0.000) 5.005 6.253 ( 4.170 1.372 0.000) 4.390 6.319 ( 8.533 -1.617 0.000) 8.685 6.326 ( -4.179 9.969 0.000) 10.810 6.397 ( 3.392 0.445 0.000) 3.421 6.451 ( -8.160 -0.244 0.000) 8.163 6.569 ( -3.761 3.271 0.000) 4.984 6.586 ( -7.248 1.685 0.000) 7.441 6.650 ( -0.411 -0.395 0.000) 0.570 6.814 ( 2.813 7.351 0.000) 7.870 6.883 ( 3.099 5.731 0.000) 6.515 6.933 ( -8.937 -3.223 0.000) 9.500 7.022 ( 3.871 0.966 0.000) 3.990 7.066 ( 1.751 3.397 0.000) 3.822 7.145 ( -7.094 -5.362 0.000) 8.892 7.224 ( -32.569 -5.887 0.000) 33.097 7.229 ( 6.420 0.830 0.000) 6.473 7.307 ( 2.206 -0.468 0.000) 2.255 7.331 ( -8.412 2.246 0.000) 8.707 7.382 ( -7.681 0.325 0.000) 7.688 7.383 ( 3.794 6.385 0.000) 7.427 7.630 ( 1.938 12.535 0.000) 12.684 7.651 ( -11.485 0.591 0.000) 11.500 7.769 ( -6.368 -2.233 0.000) 6.748 7.832 ( -3.556 -4.358 0.000) 5.625 7.863 ( -11.378 0.162 0.000) 11.380 7.981 ( -4.602 1.675 0.000) 4.897 8.003 ( -7.120 13.487 0.000) 15.251 8.038 ( 5.839 1.906 0.000) 6.142 8.180 ( -4.144 9.616 0.000) 10.471 8.204 ( -3.244 -4.475 0.000) 5.527 8.245 ( -13.669 -1.268 0.000) 13.728 8.337 ( -2.662 7.788 0.000) 8.230 8.338 ( -8.621 -6.792 0.000) 10.975 8.471 ( -3.247 5.536 0.000) 6.418 8.500 ( -2.097 -9.730 0.000) 9.953 8.585 ( -14.653 13.582 0.000) 19.979 8.616 ( 0.262 -4.947 0.000) 4.954 8.757 ( -0.455 -8.669 0.000) 8.681 8.824 ( -1.454 -4.680 0.000) 4.901 8.880 ( -5.043 -2.154 0.000) 5.484 8.918 ( -4.206 3.129 0.000) 5.242 8.937 ( 0.105 -3.393 0.000) 3.394 9.079 ( -0.154 -12.040 0.000) 12.041 9.128 ( 4.639 3.244 0.000) 5.661 9.212 ( -13.218 4.658 0.000) 14.014 9.256 ( 0.046 -3.984 0.000) 3.984 9.392 ( -5.509 -7.660 0.000) 9.435 9.494 ( 9.549 -1.414 0.000) 9.653 9.516 ( 2.251 -5.811 0.000) 6.232 9.833 ( 3.367 -3.806 0.000) 5.082 9.848 ( 1.392 -6.372 0.000) 6.523 9.874 ( 7.458 7.723 0.000) 10.736 9.984 ( -6.829 -2.529 0.000) 7.283 10.078 ( -3.355 2.991 0.000) 4.495 10.155 ( 6.707 -3.701 0.000) 7.660 10.236 ( 2.607 -3.116 0.000) 4.063 10.426 ( 6.521 -16.919 0.000) 18.132 10.457 ( 16.549 1.564 0.000) 16.623 10.462 ( -6.889 0.614 0.000) 6.916 10.657 ( -3.311 -12.538 0.000) 12.968 10.785 ( -4.840 -3.732 0.000) 6.112 11.125 ( -10.949 -0.576 0.000) 10.964 11.252 ( -3.713 2.364 0.000) 4.402 11.480 ( 17.184 -21.460 0.000) 27.492 11.490 ( -1.919 -7.673 0.000) 7.910 11.555 ( -1.386 4.804 0.000) 5.000 11.752 ( 0.333 -15.461 0.000) 15.465 11.788 ( 0.348 4.909 0.000) 4.921 11.866 ( -3.274 -6.509 0.000) 7.286 11.957 ( 0.051 5.190 0.000) 5.191 11.977 ( -0.873 1.316 0.000) 1.579 12.260 ( 12.526 0.707 0.000) 12.546 12.274 ( 14.384 -10.735 0.000) 17.948 12.609 ( 3.870 3.987 0.000) 5.556 12.654 ( -6.902 -0.473 0.000) 6.918 12.694 ( 9.457 0.192 0.000) 9.459 12.782 ( -0.442 1.292 0.000) 1.366 12.882 ( 3.741 1.394 0.000) 3.993 12.923 ( 3.524 2.014 0.000) 4.059 13.010 ( -0.092 1.341 0.000) 1.344 13.098 ( 4.378 -1.686 0.000) 4.692 13.134 ( 4.319 4.596 0.000) 6.307 13.137 ( 6.071 0.320 0.000) 6.079 13.175 ( 8.893 3.401 0.000) 9.521 13.346 ( 6.442 5.702 0.000) 8.603 13.392 ( 2.618 0.787 0.000) 2.734 13.431 ( 1.169 -0.754 0.000) 1.392 13.677 ( 0.456 6.213 0.000) 6.230 13.754 ( 6.206 -13.584 0.000) 14.934 13.962 ( -5.157 -11.929 0.000) 12.996 14.393 ( 1.267 -5.331 0.000) 5.480 14.531 ( -10.623 6.623 0.000) 12.518 14.724 ( 1.757 -12.811 0.000) 12.931 15.102 ( -21.673 -6.246 0.000) 22.555 15.373 ( -15.002 11.655 0.000) 18.998 15.748 ( 3.099 -3.694 0.000) 4.822 15.886 ( -3.549 -16.761 0.000) 17.132 15.893 ( -2.996 -6.907 0.000) 7.529 15.927 ( -2.021 -9.342 0.000) 9.558 16.091 ( 10.681 -8.435 0.000) 13.610 16.325 ( 3.794 -3.792 0.000) 5.364 16.400 ( 1.619 4.770 0.000) 5.037 16.491 ( -1.829 -3.411 0.000) 3.870 16.607 ( 7.469 -0.672 0.000) 7.499 16.629 ( -4.477 -3.394 0.000) 5.618 16.753 ( -0.980 -5.774 0.000) 5.857 17.089 ( -0.598 7.484 0.000) 7.508 17.239 ( -1.918 8.901 0.000) 9.105 17.291 ( 0.984 -4.078 0.000) 4.195 17.466 ( -0.533 -5.113 0.000) 5.140 17.554 ( -2.002 0.151 0.000) 2.008 17.748 ( -3.741 2.640 0.000) 4.579 17.755 ( -4.339 6.313 0.000) 7.660 17.936 ( 6.378 1.668 0.000) 6.593 18.158 ( -0.919 -0.189 0.000) 0.939 18.474 ( 14.349 -5.870 0.000) 15.503 18.979 ( -0.918 -0.538 0.000) 1.064 19.176 ( 9.016 1.883 0.000) 9.211 19.218 ( -2.865 -7.738 0.000) 8.251 19.229 ( -1.656 -2.499 0.000) 2.997 19.886 ( 0.301 0.548 0.000) 0.625 20.187 ( 19.571 -14.058 0.000) 24.097 20.330 ( 5.961 -7.734 0.000) 9.764 20.788 ( -3.791 -5.779 0.000) 6.911 21.417 ( -15.240 -14.645 0.000) 21.136 23.169 ( 8.701 2.748 0.000) 9.124 23.506 ( 11.686 -10.289 0.000) 15.570 23.546 ( -0.784 -0.873 0.000) 1.173 23.546 ( 3.129 -1.094 0.000) 3.315 23.585 ( 0.234 -0.457 0.000) 0.513 23.600 ( 11.465 -7.009 0.000) 13.438 23.944 ( -4.264 -2.983 0.000) 5.203 24.035 ( -0.257 -1.300 0.000) 1.325 24.610 ( 1.293 -1.773 0.000) 2.195 24.666 ( -0.247 -2.239 0.000) 2.252 25.340 ( 2.775 -1.829 0.000) 3.323 25.515 ( -1.305 0.033 0.000) 1.306 25.561 ( -1.376 -0.586 0.000) 1.495 25.639 ( -3.060 -0.544 0.000) 3.108 25.729 ( 0.043 7.419 0.000) 7.420 25.802 ( -1.259 7.530 0.000) 7.635 25.837 ( 0.883 3.234 0.000) 3.352 25.882 ( -0.954 9.103 0.000) 9.153 25.985 ( 1.947 -2.631 0.000) 3.274 26.028 ( 0.287 4.717 0.000) 4.726 26.175 ( 5.076 -1.737 0.000) 5.365 26.190 ( 6.414 -1.843 0.000) 6.674 26.336 ( 2.468 0.125 0.000) 2.471 26.485 ( 1.491 -4.833 0.000) 5.058 26.904 ( -2.331 7.161 0.000) 7.531 26.997 ( -1.723 6.342 0.000) 6.572 27.042 ( -6.365 16.366 0.000) 17.560 27.565 ( -16.135 9.830 0.000) 18.894 27.884 ( -0.609 12.322 0.000) 12.337 28.048 ( -2.975 5.661 0.000) 6.395 28.112 ( -2.421 8.869 0.000) 9.193 28.338 ( -35.006 36.612 0.000) 50.654 ======================= Grid point 7 (6/30) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 32.122 21.249 0.000) 38.514 2.140 ( 33.823 14.949 0.000) 36.980 2.742 ( -26.124 14.955 0.000) 30.102 2.794 ( -17.572 5.970 0.000) 18.559 3.132 ( 0.918 -1.219 0.000) 1.526 3.148 ( -1.249 3.930 0.000) 4.124 3.328 ( 10.286 1.487 0.000) 10.393 3.369 ( 4.030 0.615 0.000) 4.076 3.505 ( 3.187 8.474 0.000) 9.054 3.624 ( 9.607 21.986 0.000) 23.993 3.653 ( 15.831 9.059 0.000) 18.240 3.777 ( -3.089 1.438 0.000) 3.407 3.876 ( -4.301 5.119 0.000) 6.686 3.895 ( -0.322 6.991 0.000) 6.998 3.974 ( 26.845 11.502 0.000) 29.206 4.110 ( -0.036 -0.109 0.000) 0.115 4.182 ( 3.587 5.147 0.000) 6.274 4.235 ( -1.049 6.372 0.000) 6.458 4.260 ( 6.151 1.904 0.000) 6.439 4.323 ( 9.049 4.202 0.000) 9.977 4.412 ( -4.389 6.373 0.000) 7.738 4.484 ( 12.058 5.560 0.000) 13.278 4.603 ( -5.542 6.422 0.000) 8.483 4.646 ( 12.736 10.641 0.000) 16.596 4.720 ( -2.195 9.612 0.000) 9.859 4.857 ( -7.429 12.852 0.000) 14.844 4.877 ( -1.484 12.677 0.000) 12.763 5.063 ( -3.055 4.067 0.000) 5.087 5.104 ( 1.038 3.264 0.000) 3.425 5.117 ( 1.508 -1.194 0.000) 1.923 5.176 ( -4.252 -2.704 0.000) 5.039 5.275 ( -6.350 -5.366 0.000) 8.314 5.385 ( 9.361 -3.220 0.000) 9.899 5.532 ( -2.323 -0.049 0.000) 2.324 5.543 ( 17.037 1.896 0.000) 17.142 5.600 ( -3.553 11.760 0.000) 12.285 5.602 ( -0.053 6.691 0.000) 6.692 5.694 ( 9.793 -4.610 0.000) 10.824 5.725 ( -18.320 7.128 0.000) 19.658 5.729 ( -5.014 6.462 0.000) 8.179 5.835 ( -6.527 -3.624 0.000) 7.465 5.974 ( 2.861 1.788 0.000) 3.374 5.984 ( 5.098 -3.938 0.000) 6.442 6.040 ( -16.849 -7.223 0.000) 18.332 6.042 ( 6.941 2.030 0.000) 7.231 6.068 ( 6.936 -2.970 0.000) 7.545 6.241 ( -4.321 5.018 0.000) 6.622 6.277 ( 12.542 -3.732 0.000) 13.086 6.313 ( 3.373 2.005 0.000) 3.924 6.358 ( -15.133 6.251 0.000) 16.373 6.424 ( 0.897 2.097 0.000) 2.281 6.429 ( -4.659 7.104 0.000) 8.495 6.450 ( -7.058 1.967 0.000) 7.327 6.552 ( -0.205 3.771 0.000) 3.777 6.559 ( 7.283 6.436 0.000) 9.719 6.590 ( -4.440 -2.730 0.000) 5.212 6.714 ( -3.119 7.825 0.000) 8.423 6.823 ( -1.674 12.579 0.000) 12.690 7.030 ( -1.695 -2.070 0.000) 2.676 7.071 ( -3.561 -4.452 0.000) 5.700 7.079 ( 3.175 9.745 0.000) 10.249 7.123 ( -9.278 4.118 0.000) 10.151 7.159 ( 10.143 1.006 0.000) 10.192 7.273 ( -1.675 4.707 0.000) 4.996 7.287 ( 1.839 7.295 0.000) 7.523 7.363 ( 2.326 -1.044 0.000) 2.550 7.489 ( -11.439 9.878 0.000) 15.114 7.551 ( 11.196 0.129 0.000) 11.197 7.578 ( -12.606 6.323 0.000) 14.103 7.617 ( -1.721 8.875 0.000) 9.040 7.657 ( -0.484 -3.579 0.000) 3.612 7.812 ( 3.126 1.267 0.000) 3.373 7.820 ( -9.245 15.505 0.000) 18.052 7.866 ( -16.020 -5.577 0.000) 16.963 7.953 ( 2.970 0.512 0.000) 3.014 8.062 ( -6.038 0.255 0.000) 6.044 8.152 ( -0.518 10.934 0.000) 10.947 8.168 ( 4.772 -0.926 0.000) 4.861 8.210 ( -4.579 -5.191 0.000) 6.922 8.318 ( 8.389 6.498 0.000) 10.611 8.370 ( -9.518 -5.742 0.000) 11.116 8.467 ( 5.357 1.998 0.000) 5.718 8.532 ( -7.782 -2.496 0.000) 8.173 8.538 ( 6.216 -2.101 0.000) 6.562 8.657 ( -13.181 -2.267 0.000) 13.374 8.780 ( -9.475 -0.594 0.000) 9.493 8.842 ( 2.864 -4.341 0.000) 5.201 8.850 ( 0.128 -8.777 0.000) 8.778 8.884 ( -0.317 -0.038 0.000) 0.320 8.967 ( -6.894 0.731 0.000) 6.933 9.123 ( 2.459 -3.304 0.000) 4.118 9.179 ( -1.072 -2.031 0.000) 2.297 9.321 ( 4.849 -0.432 0.000) 4.868 9.346 ( 1.337 -6.772 0.000) 6.903 9.560 ( 6.445 2.069 0.000) 6.769 9.583 ( 1.526 -2.153 0.000) 2.638 9.717 ( -10.920 0.262 0.000) 10.923 9.800 ( -10.691 -3.329 0.000) 11.197 9.945 ( 9.900 -5.589 0.000) 11.369 10.080 ( 0.946 -0.694 0.000) 1.173 10.146 ( 7.526 1.793 0.000) 7.736 10.226 ( -8.693 -1.141 0.000) 8.767 10.240 ( 3.929 0.350 0.000) 3.945 10.351 ( 7.997 -11.349 0.000) 13.884 10.386 ( -6.274 -0.336 0.000) 6.283 10.546 ( -8.220 -15.085 0.000) 17.179 10.781 ( 2.616 -4.347 0.000) 5.074 10.825 ( 12.612 1.075 0.000) 12.658 10.912 ( -5.258 1.645 0.000) 5.509 11.110 ( -9.120 4.704 0.000) 10.261 11.492 ( 4.385 -11.269 0.000) 12.092 11.604 ( -3.579 -12.772 0.000) 13.264 11.666 ( 7.210 -10.428 0.000) 12.678 11.784 ( -2.030 -17.612 0.000) 17.729 11.825 ( 1.802 -11.487 0.000) 11.628 11.831 ( 1.800 -4.207 0.000) 4.576 11.964 ( 0.378 1.552 0.000) 1.597 11.967 ( -0.180 2.352 0.000) 2.358 12.447 ( 4.878 -1.906 0.000) 5.237 12.526 ( -2.417 -4.467 0.000) 5.079 12.564 ( 8.739 -4.090 0.000) 9.649 12.666 ( 0.652 2.356 0.000) 2.444 12.757 ( -1.352 2.519 0.000) 2.859 12.761 ( -0.909 -4.957 0.000) 5.040 12.862 ( 1.871 3.124 0.000) 3.642 12.949 ( -4.517 2.334 0.000) 5.084 13.089 ( 3.654 1.929 0.000) 4.132 13.137 ( -0.682 2.585 0.000) 2.674 13.248 ( 3.280 -1.320 0.000) 3.536 13.266 ( 2.638 -1.388 0.000) 2.980 13.369 ( 7.253 1.945 0.000) 7.509 13.413 ( 1.391 3.264 0.000) 3.548 13.500 ( 4.963 0.968 0.000) 5.057 13.505 ( 4.481 1.328 0.000) 4.674 13.695 ( 2.128 9.231 0.000) 9.473 13.821 ( -7.472 -8.242 0.000) 11.124 13.978 ( 14.096 0.180 0.000) 14.097 14.282 ( -12.289 11.598 0.000) 16.898 14.451 ( 4.977 -12.126 0.000) 13.108 14.673 ( -16.173 -13.901 0.000) 21.326 14.817 ( 7.573 -2.735 0.000) 8.052 15.056 ( -13.627 7.164 0.000) 15.395 15.776 ( 0.421 -7.683 0.000) 7.694 15.808 ( -2.818 -12.451 0.000) 12.766 15.870 ( 0.258 -5.635 0.000) 5.641 15.887 ( -1.395 -5.173 0.000) 5.358 16.274 ( 6.706 -1.181 0.000) 6.809 16.412 ( -5.579 -2.208 0.000) 6.000 16.432 ( 4.510 -2.435 0.000) 5.126 16.524 ( -4.402 -1.933 0.000) 4.808 16.533 ( 8.854 -1.846 0.000) 9.045 16.695 ( -5.015 -5.487 0.000) 7.434 16.845 ( 12.782 -3.633 0.000) 13.288 17.076 ( -5.100 2.129 0.000) 5.526 17.157 ( -1.084 1.556 0.000) 1.897 17.228 ( -4.665 -1.016 0.000) 4.774 17.481 ( 1.498 1.882 0.000) 2.405 17.513 ( -1.579 2.718 0.000) 3.143 17.668 ( -2.402 4.305 0.000) 4.930 17.676 ( -2.566 2.697 0.000) 3.723 18.066 ( 4.628 0.300 0.000) 4.637 18.132 ( -1.745 -0.319 0.000) 1.774 18.734 ( 10.349 -3.724 0.000) 10.998 18.916 ( -5.695 -2.730 0.000) 6.315 19.165 ( -1.026 -4.451 0.000) 4.568 19.178 ( -1.770 -2.889 0.000) 3.388 19.450 ( 14.163 0.498 0.000) 14.172 19.745 ( -11.697 -1.801 0.000) 11.834 20.490 ( 9.797 -10.064 0.000) 14.045 20.596 ( 12.153 -7.952 0.000) 14.524 20.691 ( -0.885 -5.587 0.000) 5.657 21.036 ( -19.002 -10.286 0.000) 21.608 23.368 ( 8.045 1.046 0.000) 8.113 23.493 ( -3.698 -0.185 0.000) 3.703 23.571 ( 1.077 -1.200 0.000) 1.612 23.585 ( -0.244 -0.701 0.000) 0.742 23.649 ( 6.241 -1.533 0.000) 6.427 23.792 ( -5.130 -1.366 0.000) 5.309 23.915 ( 6.679 -12.434 0.000) 14.114 24.013 ( -2.221 -4.910 0.000) 5.389 24.639 ( 1.151 -3.179 0.000) 3.381 24.658 ( -0.598 -2.876 0.000) 2.937 25.416 ( 4.040 -3.878 0.000) 5.600 25.489 ( -1.546 -3.510 0.000) 3.836 25.531 ( -0.976 -0.205 0.000) 0.997 25.550 ( -3.725 -1.303 0.000) 3.946 25.724 ( 0.291 8.130 0.000) 8.135 25.749 ( -2.069 10.060 0.000) 10.270 25.920 ( 4.902 10.765 0.000) 11.829 25.935 ( 3.487 6.232 0.000) 7.142 25.994 ( -1.153 2.240 0.000) 2.519 26.009 ( -2.395 9.049 0.000) 9.360 26.281 ( 3.172 2.800 0.000) 4.231 26.287 ( 2.328 0.320 0.000) 2.350 26.415 ( 4.790 -5.390 0.000) 7.211 26.498 ( -1.398 -5.528 0.000) 5.702 26.856 ( -1.140 7.576 0.000) 7.662 26.894 ( -4.871 10.650 0.000) 11.712 26.986 ( 1.089 9.499 0.000) 9.561 27.141 ( -15.078 17.125 0.000) 22.817 27.898 ( 2.119 7.647 0.000) 7.935 27.968 ( -3.926 5.850 0.000) 7.045 28.034 ( -2.344 16.341 0.000) 16.508 28.052 ( -2.601 10.446 0.000) 10.765 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 0.000 43.388 0.000) 43.388 1.999 ( 0.000 45.065 0.000) 45.065 2.960 ( 0.000 -0.529 0.000) 0.529 3.106 ( 0.000 6.365 0.000) 6.365 3.207 ( 0.000 54.543 0.000) 54.543 3.240 ( 0.000 17.646 0.000) 17.646 3.255 ( 0.000 0.550 0.000) 0.550 3.269 ( 0.000 6.128 0.000) 6.128 3.306 ( 0.000 15.322 0.000) 15.322 3.464 ( 0.000 8.673 0.000) 8.673 3.587 ( 0.000 19.845 0.000) 19.845 3.757 ( 0.000 19.203 0.000) 19.203 3.804 ( 0.000 -0.029 0.000) 0.029 3.942 ( 0.000 -3.939 0.000) 3.939 3.984 ( 0.000 2.698 0.000) 2.698 4.154 ( 0.000 0.315 0.000) 0.315 4.269 ( 0.000 13.307 0.000) 13.307 4.365 ( 0.000 2.409 0.000) 2.409 4.448 ( 0.000 1.339 0.000) 1.339 4.458 ( 0.000 6.866 0.000) 6.866 4.522 ( 0.000 -1.570 0.000) 1.570 4.622 ( 0.000 6.876 0.000) 6.876 4.661 ( 0.000 3.694 0.000) 3.694 4.732 ( 0.000 -3.636 0.000) 3.636 4.859 ( 0.000 1.712 0.000) 1.712 4.913 ( 0.000 -13.023 0.000) 13.023 4.975 ( 0.000 9.454 0.000) 9.454 5.013 ( 0.000 18.297 0.000) 18.297 5.131 ( 0.000 10.429 0.000) 10.429 5.218 ( 0.000 2.932 0.000) 2.932 5.250 ( 0.000 8.900 0.000) 8.900 5.265 ( 0.000 5.590 0.000) 5.590 5.496 ( 0.000 0.652 0.000) 0.652 5.520 ( 0.000 1.078 0.000) 1.078 5.522 ( 0.000 7.250 0.000) 7.250 5.611 ( 0.000 9.662 0.000) 9.662 5.632 ( 0.000 -12.931 0.000) 12.931 5.791 ( 0.000 1.806 0.000) 1.806 5.807 ( 0.000 -5.273 0.000) 5.273 5.842 ( 0.000 0.153 0.000) 0.153 5.845 ( 0.000 6.821 0.000) 6.821 5.892 ( 0.000 3.426 0.000) 3.426 5.932 ( 0.000 16.488 0.000) 16.488 6.003 ( 0.000 0.397 0.000) 0.397 6.123 ( 0.000 -4.658 0.000) 4.658 6.186 ( 0.000 20.851 0.000) 20.851 6.242 ( 0.000 13.902 0.000) 13.902 6.319 ( 0.000 16.507 0.000) 16.507 6.379 ( 0.000 -3.052 0.000) 3.052 6.408 ( 0.000 5.736 0.000) 5.736 6.449 ( 0.000 7.389 0.000) 7.389 6.525 ( 0.000 -3.887 0.000) 3.887 6.658 ( 0.000 0.712 0.000) 0.712 6.801 ( 0.000 -1.596 0.000) 1.596 6.821 ( 0.000 23.367 0.000) 23.367 6.880 ( 0.000 -6.001 0.000) 6.001 6.941 ( 0.000 -2.674 0.000) 2.674 7.011 ( 0.000 11.658 0.000) 11.658 7.053 ( 0.000 3.540 0.000) 3.540 7.080 ( 0.000 -1.323 0.000) 1.323 7.132 ( 0.000 29.599 0.000) 29.599 7.266 ( 0.000 2.814 0.000) 2.814 7.273 ( 0.000 -8.489 0.000) 8.489 7.293 ( 0.000 12.259 0.000) 12.259 7.407 ( 0.000 6.445 0.000) 6.445 7.513 ( 0.000 -19.115 0.000) 19.115 7.582 ( 0.000 -14.494 0.000) 14.494 7.619 ( 0.000 -8.565 0.000) 8.565 7.664 ( 0.000 15.582 0.000) 15.582 7.885 ( 0.000 -10.558 0.000) 10.558 7.915 ( 0.000 -11.268 0.000) 11.268 7.925 ( 0.000 0.277 0.000) 0.277 8.036 ( 0.000 -4.222 0.000) 4.222 8.116 ( 0.000 9.172 0.000) 9.172 8.210 ( 0.000 31.010 0.000) 31.010 8.223 ( 0.000 -8.883 0.000) 8.883 8.283 ( 0.000 -7.214 0.000) 7.214 8.341 ( 0.000 1.483 0.000) 1.483 8.367 ( 0.000 -8.928 0.000) 8.928 8.411 ( 0.000 -1.594 0.000) 1.594 8.450 ( 0.000 7.521 0.000) 7.521 8.559 ( 0.000 2.754 0.000) 2.754 8.575 ( 0.000 -10.380 0.000) 10.380 8.606 ( 0.000 5.056 0.000) 5.056 8.728 ( 0.000 4.278 0.000) 4.278 8.819 ( 0.000 -3.599 0.000) 3.599 8.907 ( 0.000 -13.396 0.000) 13.396 8.927 ( 0.000 2.886 0.000) 2.886 8.975 ( 0.000 1.905 0.000) 1.905 9.016 ( 0.000 -5.434 0.000) 5.434 9.021 ( 0.000 -1.814 0.000) 1.814 9.208 ( 0.000 -16.925 0.000) 16.925 9.242 ( 0.000 -17.480 0.000) 17.480 9.370 ( 0.000 -5.178 0.000) 5.178 9.398 ( 0.000 -2.185 0.000) 2.185 9.459 ( 0.000 -6.567 0.000) 6.567 9.465 ( 0.000 3.696 0.000) 3.696 9.630 ( 0.000 -2.790 0.000) 2.790 9.752 ( 0.000 -4.100 0.000) 4.100 10.012 ( 0.000 -4.556 0.000) 4.556 10.014 ( 0.000 1.108 0.000) 1.108 10.044 ( 0.000 7.222 0.000) 7.222 10.195 ( 0.000 -4.253 0.000) 4.253 10.261 ( 0.000 4.303 0.000) 4.303 10.356 ( 0.000 13.376 0.000) 13.376 10.547 ( 0.000 -8.367 0.000) 8.367 10.587 ( 0.000 2.019 0.000) 2.019 10.708 ( 0.000 -14.916 0.000) 14.916 10.771 ( 0.000 -13.257 0.000) 13.257 11.056 ( 0.000 -10.420 0.000) 10.420 11.298 ( 0.000 -1.257 0.000) 1.257 11.575 ( 0.000 -10.343 0.000) 10.343 11.684 ( 0.000 6.917 0.000) 6.917 11.750 ( 0.000 -14.342 0.000) 14.342 11.823 ( 0.000 -5.776 0.000) 5.776 11.864 ( 0.000 -1.374 0.000) 1.374 12.059 ( 0.000 20.903 0.000) 20.903 12.065 ( 0.000 3.375 0.000) 3.375 12.135 ( 0.000 6.616 0.000) 6.616 12.347 ( 0.000 20.945 0.000) 20.945 12.459 ( 0.000 -0.654 0.000) 0.654 12.537 ( 0.000 -8.745 0.000) 8.745 12.622 ( 0.000 -7.245 0.000) 7.245 12.705 ( 0.000 -8.614 0.000) 8.614 12.766 ( 0.000 -3.656 0.000) 3.656 12.995 ( 0.000 2.290 0.000) 2.290 13.004 ( 0.000 2.777 0.000) 2.777 13.032 ( 0.000 -17.136 0.000) 17.136 13.062 ( 0.000 -2.239 0.000) 2.239 13.078 ( 0.000 3.697 0.000) 3.697 13.206 ( 0.000 11.971 0.000) 11.971 13.341 ( 0.000 4.018 0.000) 4.018 13.377 ( 0.000 -0.343 0.000) 0.343 13.400 ( 0.000 -2.733 0.000) 2.733 13.456 ( 0.000 4.859 0.000) 4.859 13.769 ( 0.000 5.694 0.000) 5.694 13.832 ( 0.000 -7.424 0.000) 7.424 14.152 ( 0.000 -20.043 0.000) 20.043 14.472 ( 0.000 -2.961 0.000) 2.961 14.710 ( 0.000 -1.640 0.000) 1.640 15.278 ( 0.000 -22.523 0.000) 22.523 15.470 ( 0.000 1.022 0.000) 1.022 15.491 ( 0.000 -16.353 0.000) 16.353 15.494 ( 0.000 -24.485 0.000) 24.485 15.665 ( 0.000 -11.122 0.000) 11.122 15.786 ( 0.000 7.884 0.000) 7.884 15.792 ( 0.000 -7.735 0.000) 7.735 16.340 ( 0.000 1.025 0.000) 1.025 16.424 ( 0.000 -4.861 0.000) 4.861 16.486 ( 0.000 0.230 0.000) 0.230 16.586 ( 0.000 -3.159 0.000) 3.159 16.676 ( 0.000 -4.985 0.000) 4.985 16.769 ( 0.000 9.623 0.000) 9.623 17.129 ( 0.000 -0.312 0.000) 0.312 17.217 ( 0.000 1.597 0.000) 1.597 17.320 ( 0.000 -6.747 0.000) 6.747 17.454 ( 0.000 7.023 0.000) 7.023 17.554 ( 0.000 -1.035 0.000) 1.035 17.873 ( 0.000 -0.439 0.000) 0.439 17.879 ( 0.000 5.140 0.000) 5.140 17.913 ( 0.000 3.001 0.000) 3.001 18.164 ( 0.000 -0.533 0.000) 0.533 18.219 ( 0.000 3.118 0.000) 3.118 18.993 ( 0.000 0.681 0.000) 0.681 19.010 ( 0.000 -14.172 0.000) 14.172 19.127 ( 0.000 4.299 0.000) 4.299 19.205 ( 0.000 -3.529 0.000) 3.529 19.921 ( 0.000 6.805 0.000) 6.805 19.960 ( 0.000 7.610 0.000) 7.610 20.025 ( 0.000 -15.308 0.000) 15.308 20.676 ( 0.000 -9.185 0.000) 9.185 21.159 ( 0.000 -23.205 0.000) 23.205 23.176 ( 0.000 7.182 0.000) 7.182 23.252 ( 0.000 7.183 0.000) 7.183 23.498 ( 0.000 -0.401 0.000) 0.401 23.537 ( 0.000 -0.987 0.000) 0.987 23.540 ( 0.000 -0.378 0.000) 0.378 23.570 ( 0.000 -0.705 0.000) 0.705 23.905 ( 0.000 -6.046 0.000) 6.046 23.983 ( 0.000 -5.213 0.000) 5.213 24.590 ( 0.000 -0.086 0.000) 0.086 24.633 ( 0.000 -1.356 0.000) 1.356 25.294 ( 0.000 -0.220 0.000) 0.220 25.543 ( 0.000 -9.168 0.000) 9.168 25.564 ( 0.000 -0.466 0.000) 0.466 25.580 ( 0.000 2.482 0.000) 2.482 25.897 ( 0.000 1.080 0.000) 1.080 25.915 ( 0.000 10.530 0.000) 10.530 25.953 ( 0.000 8.316 0.000) 8.316 25.981 ( 0.000 9.517 0.000) 9.517 26.013 ( 0.000 2.423 0.000) 2.423 26.073 ( 0.000 -1.229 0.000) 1.229 26.125 ( 0.000 6.266 0.000) 6.266 26.201 ( 0.000 7.263 0.000) 7.263 26.351 ( 0.000 -6.293 0.000) 6.293 26.362 ( 0.000 2.810 0.000) 2.810 27.126 ( 0.000 10.875 0.000) 10.875 27.171 ( 0.000 8.572 0.000) 8.572 27.435 ( 0.000 10.865 0.000) 10.865 27.681 ( 0.000 -2.489 0.000) 2.489 28.237 ( 0.000 15.017 0.000) 15.017 28.243 ( 0.000 9.125 0.000) 9.125 28.356 ( 0.000 11.720 0.000) 11.720 29.105 ( 0.000 -4.891 0.000) 4.891 ======================= Grid point 11 (8/30) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 15.422 36.852 0.000) 39.949 2.178 ( 15.341 39.790 0.000) 42.645 2.971 ( 0.474 1.677 0.000) 1.743 3.111 ( 2.763 3.659 0.000) 4.585 3.201 ( -2.779 6.921 0.000) 7.458 3.225 ( 1.465 2.173 0.000) 2.621 3.388 ( 6.988 13.727 0.000) 15.404 3.465 ( 1.354 12.942 0.000) 13.013 3.494 ( 15.203 11.193 0.000) 18.879 3.627 ( 15.496 13.951 0.000) 20.851 3.694 ( 16.187 35.849 0.000) 39.334 3.741 ( -5.229 5.494 0.000) 7.584 3.858 ( 10.121 5.326 0.000) 11.437 3.998 ( 1.018 3.496 0.000) 3.641 4.013 ( 6.388 11.813 0.000) 13.430 4.097 ( -3.382 -1.625 0.000) 3.753 4.259 ( 1.380 7.046 0.000) 7.180 4.309 ( -4.736 2.880 0.000) 5.543 4.405 ( -4.475 4.901 0.000) 6.637 4.408 ( -4.053 0.687 0.000) 4.111 4.543 ( 0.465 2.978 0.000) 3.014 4.622 ( -0.408 7.623 0.000) 7.633 4.666 ( 3.475 12.291 0.000) 12.773 4.717 ( -0.503 1.474 0.000) 1.557 4.917 ( 0.252 -11.427 0.000) 11.430 4.926 ( 4.761 2.740 0.000) 5.493 5.009 ( -0.658 13.460 0.000) 13.477 5.043 ( 6.210 -3.337 0.000) 7.050 5.147 ( -3.084 0.090 0.000) 3.085 5.237 ( 8.632 9.736 0.000) 13.012 5.281 ( 0.458 9.413 0.000) 9.424 5.300 ( -0.924 8.465 0.000) 8.516 5.370 ( -5.501 0.660 0.000) 5.541 5.460 ( -0.079 7.864 0.000) 7.865 5.579 ( -0.697 -0.163 0.000) 0.715 5.580 ( 0.219 4.580 0.000) 4.586 5.701 ( 2.975 -2.748 0.000) 4.050 5.768 ( -1.530 5.085 0.000) 5.310 5.776 ( -0.635 5.319 0.000) 5.356 5.841 ( -3.958 2.231 0.000) 4.543 5.908 ( 5.465 2.183 0.000) 5.885 5.917 ( 1.679 3.343 0.000) 3.741 6.001 ( 8.698 2.239 0.000) 8.982 6.091 ( -2.497 10.567 0.000) 10.858 6.108 ( 6.153 1.548 0.000) 6.345 6.193 ( -2.942 5.307 0.000) 6.068 6.271 ( -5.279 0.329 0.000) 5.290 6.304 ( 1.090 3.176 0.000) 3.357 6.314 ( -2.154 10.610 0.000) 10.827 6.385 ( -1.312 -3.846 0.000) 4.064 6.485 ( -6.232 -3.356 0.000) 7.078 6.505 ( 6.932 8.275 0.000) 10.795 6.658 ( 3.067 5.518 0.000) 6.313 6.725 ( -3.399 8.447 0.000) 9.105 6.882 ( -0.783 3.632 0.000) 3.715 6.911 ( 9.311 2.769 0.000) 9.714 6.997 ( 4.800 -0.256 0.000) 4.807 7.027 ( -3.648 10.978 0.000) 11.569 7.041 ( 2.242 7.807 0.000) 8.122 7.090 ( -3.243 22.803 0.000) 23.032 7.125 ( 3.798 2.348 0.000) 4.465 7.261 ( -22.333 2.912 0.000) 22.522 7.274 ( 2.433 3.628 0.000) 4.368 7.299 ( -4.512 2.707 0.000) 5.262 7.383 ( 5.187 9.634 0.000) 10.942 7.434 ( -7.770 -2.316 0.000) 8.108 7.506 ( -1.629 2.075 0.000) 2.638 7.530 ( -4.811 -7.642 0.000) 9.030 7.654 ( 0.113 -3.116 0.000) 3.118 7.768 ( 6.849 2.480 0.000) 7.284 7.913 ( -4.523 4.012 0.000) 6.046 7.996 ( 3.536 0.214 0.000) 3.542 8.047 ( -2.792 3.876 0.000) 4.777 8.054 ( -7.392 -6.953 0.000) 10.148 8.080 ( -4.681 20.341 0.000) 20.873 8.091 ( -11.811 -8.769 0.000) 14.710 8.199 ( -2.592 -10.742 0.000) 11.050 8.316 ( -2.621 4.066 0.000) 4.838 8.322 ( -1.131 -4.704 0.000) 4.839 8.344 ( -4.831 13.161 0.000) 14.020 8.474 ( -9.264 3.315 0.000) 9.840 8.498 ( 4.419 -4.458 0.000) 6.277 8.582 ( -0.638 10.796 0.000) 10.815 8.610 ( -4.720 -4.261 0.000) 6.359 8.634 ( 2.184 -9.206 0.000) 9.462 8.725 ( -10.840 -4.650 0.000) 11.795 8.847 ( -8.025 -0.386 0.000) 8.034 8.857 ( -6.886 -6.382 0.000) 9.389 8.902 ( -2.632 -4.124 0.000) 4.893 8.987 ( -5.337 -2.551 0.000) 5.915 9.107 ( 14.582 -9.772 0.000) 17.554 9.165 ( -3.555 -8.736 0.000) 9.432 9.273 ( -5.726 -1.897 0.000) 6.032 9.275 ( -6.458 11.473 0.000) 13.166 9.336 ( 1.911 -6.854 0.000) 7.116 9.486 ( 9.579 -12.806 0.000) 15.992 9.621 ( 8.617 0.915 0.000) 8.665 9.706 ( 4.613 -6.611 0.000) 8.061 9.942 ( -6.023 -2.416 0.000) 6.490 10.025 ( -1.350 5.709 0.000) 5.866 10.082 ( 14.847 -11.885 0.000) 19.018 10.127 ( 7.380 -2.582 0.000) 7.819 10.173 ( -5.385 5.476 0.000) 7.680 10.212 ( 4.250 0.187 0.000) 4.254 10.395 ( -10.259 -6.931 0.000) 12.381 10.533 ( 11.878 6.228 0.000) 13.411 10.585 ( -2.553 2.150 0.000) 3.338 10.645 ( -2.954 -9.742 0.000) 10.180 10.965 ( 12.546 -23.517 0.000) 26.654 11.034 ( -2.830 -6.944 0.000) 7.499 11.307 ( -0.546 0.334 0.000) 0.640 11.418 ( -15.793 2.059 0.000) 15.926 11.463 ( -8.375 -14.268 0.000) 16.544 11.672 ( -10.410 4.877 0.000) 11.496 11.712 ( -1.929 -9.055 0.000) 9.258 11.900 ( -14.231 4.842 0.000) 15.033 11.949 ( 4.306 -4.223 0.000) 6.031 12.081 ( -1.608 6.125 0.000) 6.332 12.157 ( 9.192 0.889 0.000) 9.235 12.261 ( 4.005 -2.840 0.000) 4.910 12.562 ( -5.036 -8.268 0.000) 9.681 12.580 ( 1.895 -8.927 0.000) 9.126 12.695 ( 4.612 0.644 0.000) 4.657 12.726 ( 1.963 -6.028 0.000) 6.339 12.869 ( 1.669 -1.702 0.000) 2.383 12.962 ( 7.770 0.576 0.000) 7.791 13.047 ( -0.425 -1.406 0.000) 1.469 13.093 ( 2.324 1.423 0.000) 2.725 13.114 ( 4.534 -10.787 0.000) 11.701 13.114 ( 4.517 -0.129 0.000) 4.519 13.218 ( 0.567 2.034 0.000) 2.111 13.417 ( 3.371 1.596 0.000) 3.730 13.429 ( 2.490 -1.579 0.000) 2.949 13.445 ( 1.317 2.934 0.000) 3.216 13.662 ( 21.620 12.110 0.000) 24.781 13.758 ( -5.099 -7.874 0.000) 9.381 13.808 ( 2.569 4.078 0.000) 4.820 14.175 ( 1.880 -13.303 0.000) 13.435 14.501 ( -13.326 -8.032 0.000) 15.560 14.568 ( 9.583 0.559 0.000) 9.599 15.039 ( -14.223 -1.959 0.000) 14.357 15.494 ( -2.699 -2.971 0.000) 4.013 15.503 ( 1.141 -14.767 0.000) 14.811 15.621 ( -1.695 -9.236 0.000) 9.391 15.781 ( 2.604 -0.659 0.000) 2.686 15.784 ( -0.841 -7.441 0.000) 7.488 15.877 ( 17.738 -10.321 0.000) 20.522 16.288 ( -2.737 0.993 0.000) 2.912 16.407 ( -1.559 -4.675 0.000) 4.928 16.464 ( -0.457 1.588 0.000) 1.653 16.568 ( -2.209 -2.451 0.000) 3.299 16.643 ( -2.316 -5.362 0.000) 5.841 16.647 ( -1.733 5.202 0.000) 5.483 17.178 ( -2.797 0.714 0.000) 2.886 17.214 ( 1.712 -3.317 0.000) 3.732 17.262 ( -5.834 -4.922 0.000) 7.633 17.486 ( 2.864 5.241 0.000) 5.973 17.554 ( 0.191 -0.093 0.000) 0.212 17.793 ( -3.745 1.591 0.000) 4.069 17.852 ( -5.028 2.840 0.000) 5.774 17.980 ( 5.379 2.772 0.000) 6.051 18.152 ( -0.946 -0.390 0.000) 1.023 18.391 ( 11.865 -2.265 0.000) 12.079 18.929 ( -4.221 -7.525 0.000) 8.628 19.045 ( 1.610 -5.157 0.000) 5.403 19.172 ( -2.411 -2.790 0.000) 3.688 19.229 ( 8.670 3.237 0.000) 9.255 19.865 ( -6.288 -4.438 0.000) 7.696 20.067 ( 11.133 -0.022 0.000) 11.133 20.174 ( 10.538 -4.671 0.000) 11.527 20.632 ( -3.800 -8.882 0.000) 9.661 21.040 ( -9.920 -19.867 0.000) 22.206 23.254 ( 6.429 5.513 0.000) 8.469 23.406 ( 10.833 0.945 0.000) 10.874 23.524 ( 2.440 -0.863 0.000) 2.588 23.529 ( -0.732 -0.751 0.000) 1.049 23.565 ( 2.924 -0.578 0.000) 2.980 23.572 ( 0.089 -0.739 0.000) 0.745 23.863 ( -3.771 -5.291 0.000) 6.497 23.967 ( -1.662 -5.472 0.000) 5.719 24.594 ( 0.402 -0.257 0.000) 0.477 24.629 ( -0.350 -1.274 0.000) 1.321 25.311 ( 1.415 -0.882 0.000) 1.668 25.480 ( -3.745 -5.186 0.000) 6.397 25.551 ( -0.994 -0.062 0.000) 0.996 25.579 ( -1.340 0.011 0.000) 1.340 25.862 ( -1.149 3.712 0.000) 3.886 25.931 ( -1.489 4.971 0.000) 5.190 25.985 ( 4.715 6.611 0.000) 8.120 26.044 ( 1.726 5.915 0.000) 6.162 26.061 ( 4.720 9.142 0.000) 10.288 26.128 ( 6.013 0.676 0.000) 6.051 26.131 ( 1.139 4.723 0.000) 4.858 26.245 ( 3.798 5.686 0.000) 6.838 26.384 ( 1.802 3.137 0.000) 3.617 26.405 ( 4.035 -1.923 0.000) 4.470 27.091 ( -2.777 10.357 0.000) 10.723 27.154 ( -1.291 8.396 0.000) 8.494 27.335 ( -8.154 10.968 0.000) 13.666 27.613 ( -6.853 -1.135 0.000) 6.946 28.188 ( -3.933 14.262 0.000) 14.795 28.205 ( -3.175 8.901 0.000) 9.450 28.328 ( -2.228 11.355 0.000) 11.572 28.756 ( -24.517 8.427 0.000) 25.925 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 18.787 22.541 0.000) 29.343 2.582 ( 18.404 27.250 0.000) 32.882 2.942 ( -4.006 8.783 0.000) 9.653 3.087 ( -12.713 14.933 0.000) 19.611 3.143 ( 1.029 1.295 0.000) 1.654 3.214 ( -4.204 2.236 0.000) 4.762 3.398 ( -0.486 9.304 0.000) 9.317 3.442 ( -3.991 7.018 0.000) 8.073 3.663 ( 8.550 6.032 0.000) 10.464 3.784 ( 2.780 0.728 0.000) 2.874 3.893 ( 12.591 13.099 0.000) 18.169 3.916 ( 1.091 5.796 0.000) 5.898 3.993 ( -2.088 5.870 0.000) 6.230 4.078 ( -3.154 9.623 0.000) 10.127 4.083 ( 2.138 -2.141 0.000) 3.026 4.160 ( -3.134 0.654 0.000) 3.201 4.308 ( 8.846 3.540 0.000) 9.528 4.327 ( -1.619 1.583 0.000) 2.264 4.349 ( 6.110 4.075 0.000) 7.344 4.511 ( 7.621 8.132 0.000) 11.145 4.564 ( -6.203 7.939 0.000) 10.075 4.657 ( 21.254 19.313 0.000) 28.718 4.665 ( -5.464 1.223 0.000) 5.599 4.831 ( 13.526 6.164 0.000) 14.864 4.911 ( -3.958 -0.119 0.000) 3.960 4.976 ( 0.098 -2.412 0.000) 2.414 5.031 ( 2.989 -0.224 0.000) 2.997 5.122 ( 0.593 6.064 0.000) 6.093 5.139 ( -0.710 4.946 0.000) 4.997 5.226 ( -8.443 0.260 0.000) 8.447 5.256 ( 2.891 7.055 0.000) 7.624 5.288 ( -2.211 8.785 0.000) 9.058 5.481 ( 11.051 12.676 0.000) 16.817 5.536 ( 8.810 3.017 0.000) 9.313 5.562 ( 1.351 5.289 0.000) 5.459 5.655 ( -0.404 -0.848 0.000) 0.939 5.704 ( -3.605 -1.044 0.000) 3.753 5.718 ( 4.291 3.597 0.000) 5.599 5.728 ( -5.860 0.930 0.000) 5.933 5.847 ( 5.424 7.303 0.000) 9.097 5.879 ( -5.964 0.684 0.000) 6.003 5.964 ( -3.502 1.542 0.000) 3.827 6.017 ( 3.364 3.595 0.000) 4.924 6.048 ( -7.961 2.270 0.000) 8.279 6.149 ( -13.581 11.231 0.000) 17.623 6.181 ( -14.890 -2.970 0.000) 15.183 6.182 ( 6.705 -2.465 0.000) 7.144 6.219 ( 7.900 6.089 0.000) 9.974 6.331 ( -8.691 -2.247 0.000) 8.977 6.374 ( -5.023 -1.365 0.000) 5.205 6.399 ( 6.198 2.516 0.000) 6.689 6.553 ( -8.568 11.272 0.000) 14.159 6.646 ( 5.108 8.661 0.000) 10.055 6.665 ( -3.479 15.355 0.000) 15.744 6.787 ( 7.425 5.415 0.000) 9.190 6.899 ( 0.492 -1.876 0.000) 1.939 6.974 ( -5.669 18.349 0.000) 19.205 7.007 ( -5.122 8.326 0.000) 9.775 7.060 ( 1.062 18.592 0.000) 18.622 7.111 ( 5.695 13.562 0.000) 14.710 7.159 ( 3.371 2.411 0.000) 4.145 7.216 ( -1.752 4.211 0.000) 4.561 7.234 ( 7.643 1.971 0.000) 7.893 7.330 ( 4.932 -1.311 0.000) 5.104 7.338 ( -3.986 2.242 0.000) 4.573 7.412 ( 3.952 2.792 0.000) 4.839 7.499 ( -2.290 -5.262 0.000) 5.739 7.618 ( -8.101 3.573 0.000) 8.854 7.644 ( 6.435 10.175 0.000) 12.039 7.740 ( -9.527 -2.231 0.000) 9.785 7.834 ( -4.655 5.330 0.000) 7.077 7.851 ( -2.725 5.058 0.000) 5.745 7.942 ( -3.954 4.298 0.000) 5.841 7.948 ( 5.827 2.533 0.000) 6.354 7.971 ( -0.310 14.438 0.000) 14.441 8.103 ( -4.686 -7.024 0.000) 8.444 8.152 ( 2.685 -2.723 0.000) 3.824 8.250 ( -6.767 6.146 0.000) 9.141 8.281 ( -0.646 6.966 0.000) 6.996 8.298 ( -2.356 4.655 0.000) 5.217 8.372 ( 1.527 4.535 0.000) 4.786 8.469 ( -8.590 -1.168 0.000) 8.669 8.489 ( 0.751 -1.713 0.000) 1.871 8.596 ( -4.841 -4.862 0.000) 6.861 8.644 ( -2.499 5.609 0.000) 6.140 8.667 ( 4.275 -7.220 0.000) 8.391 8.682 ( 2.418 -4.961 0.000) 5.519 8.712 ( -4.614 -8.917 0.000) 10.040 8.866 ( -1.472 -6.894 0.000) 7.049 8.892 ( -3.672 -5.201 0.000) 6.367 9.073 ( -3.776 -7.510 0.000) 8.406 9.082 ( -6.678 3.142 0.000) 7.381 9.271 ( 4.622 4.376 0.000) 6.365 9.339 ( 3.667 -5.207 0.000) 6.369 9.459 ( 8.990 -4.891 0.000) 10.234 9.667 ( -7.892 -7.361 0.000) 10.792 9.667 ( 0.711 6.317 0.000) 6.356 9.785 ( 13.288 -10.879 0.000) 17.173 9.797 ( -7.262 7.214 0.000) 10.237 10.038 ( -8.825 -1.626 0.000) 8.974 10.087 ( 7.329 -2.291 0.000) 7.678 10.199 ( -2.858 -4.998 0.000) 5.757 10.224 ( 1.843 0.704 0.000) 1.973 10.272 ( -1.050 -3.795 0.000) 3.938 10.352 ( 5.788 4.863 0.000) 7.560 10.456 ( -5.825 1.636 0.000) 6.050 10.649 ( 2.993 -7.878 0.000) 8.427 10.721 ( 1.657 -8.903 0.000) 9.056 10.947 ( 0.259 -1.037 0.000) 1.069 11.099 ( -6.914 -9.108 0.000) 11.435 11.244 ( -0.442 -10.356 0.000) 10.365 11.269 ( 1.236 -24.981 0.000) 25.012 11.361 ( 1.364 -6.248 0.000) 6.395 11.475 ( -6.168 -5.443 0.000) 8.227 11.687 ( -0.473 -5.743 0.000) 5.763 11.716 ( -4.114 -4.791 0.000) 6.315 12.021 ( 2.822 -1.357 0.000) 3.131 12.065 ( -0.932 3.836 0.000) 3.947 12.316 ( 2.243 -10.613 0.000) 10.847 12.353 ( 3.458 -5.515 0.000) 6.509 12.472 ( 0.400 -9.286 0.000) 9.294 12.559 ( -3.425 -10.154 0.000) 10.716 12.736 ( 0.624 -0.497 0.000) 0.798 12.746 ( -0.181 -2.930 0.000) 2.936 12.922 ( 3.743 -0.448 0.000) 3.769 13.001 ( -3.327 -1.551 0.000) 3.671 13.105 ( 3.705 -1.880 0.000) 4.154 13.136 ( 0.829 -1.251 0.000) 1.501 13.188 ( 1.795 -2.853 0.000) 3.371 13.195 ( 1.174 -5.273 0.000) 5.402 13.310 ( 7.339 -3.202 0.000) 8.007 13.401 ( -1.070 -5.196 0.000) 5.305 13.445 ( 0.047 -2.597 0.000) 2.598 13.492 ( -2.775 1.661 0.000) 3.235 13.715 ( 2.825 -5.225 0.000) 5.940 13.796 ( -2.660 -2.667 0.000) 3.766 14.197 ( 19.394 8.860 0.000) 21.322 14.220 ( 6.694 1.600 0.000) 6.882 14.285 ( -5.829 -8.135 0.000) 10.008 14.680 ( -19.246 11.872 0.000) 22.613 14.884 ( 18.035 10.325 0.000) 20.781 15.274 ( -15.999 12.143 0.000) 20.086 15.539 ( 1.965 -11.936 0.000) 12.097 15.579 ( -1.837 -10.291 0.000) 10.454 15.760 ( -0.921 -6.339 0.000) 6.405 15.764 ( -1.362 -3.073 0.000) 3.361 16.211 ( 9.867 -5.092 0.000) 11.104 16.350 ( -4.013 -3.929 0.000) 5.616 16.366 ( 7.251 -4.047 0.000) 8.304 16.487 ( -4.541 -1.743 0.000) 4.864 16.496 ( 3.433 -1.552 0.000) 3.767 16.586 ( -3.520 -5.164 0.000) 6.250 16.750 ( 10.701 -4.148 0.000) 11.477 17.029 ( -12.252 -5.996 0.000) 13.640 17.170 ( -0.427 -0.035 0.000) 0.428 17.195 ( -2.038 -2.103 0.000) 2.928 17.554 ( 2.594 3.875 0.000) 4.663 17.567 ( 0.865 2.113 0.000) 2.283 17.722 ( -2.355 1.425 0.000) 2.753 17.737 ( -4.217 1.956 0.000) 4.649 18.079 ( 3.337 1.104 0.000) 3.515 18.127 ( -1.402 0.021 0.000) 1.402 18.631 ( 9.699 -5.905 0.000) 11.355 18.810 ( -6.789 -7.756 0.000) 10.308 19.079 ( 1.636 -2.976 0.000) 3.396 19.120 ( -2.191 -2.486 0.000) 3.314 19.458 ( 11.370 0.395 0.000) 11.376 19.691 ( -9.644 -3.408 0.000) 10.228 20.308 ( 9.799 -6.667 0.000) 11.852 20.417 ( 6.966 -8.457 0.000) 10.957 20.545 ( 0.050 -7.705 0.000) 7.705 20.776 ( -13.396 -13.696 0.000) 19.159 23.402 ( 5.947 2.382 0.000) 6.407 23.491 ( -2.410 0.088 0.000) 2.412 23.544 ( 1.957 -0.984 0.000) 2.190 23.569 ( -0.538 -0.811 0.000) 0.973 23.610 ( 5.535 -2.111 0.000) 5.923 23.730 ( 8.586 -5.463 0.000) 10.177 23.750 ( -5.130 -3.000 0.000) 5.943 23.897 ( -5.152 -5.924 0.000) 7.850 24.606 ( 0.586 -0.637 0.000) 0.865 24.618 ( -0.561 -1.022 0.000) 1.166 25.350 ( 2.164 -2.393 0.000) 3.227 25.406 ( -2.995 -3.966 0.000) 4.970 25.533 ( -0.344 0.702 0.000) 0.782 25.543 ( -1.313 0.941 0.000) 1.615 25.861 ( 0.939 3.664 0.000) 3.782 25.894 ( -1.859 3.848 0.000) 4.274 26.057 ( 1.615 2.744 0.000) 3.183 26.067 ( 0.451 3.066 0.000) 3.099 26.144 ( 2.785 8.167 0.000) 8.628 26.166 ( 0.912 7.835 0.000) 7.887 26.330 ( 10.263 6.422 0.000) 12.107 26.349 ( 4.990 4.525 0.000) 6.736 26.413 ( -0.173 3.733 0.000) 3.737 26.462 ( -0.624 3.533 0.000) 3.587 27.040 ( -0.658 9.523 0.000) 9.546 27.103 ( -5.169 8.929 0.000) 10.317 27.197 ( 0.659 9.707 0.000) 9.730 27.372 ( -13.180 5.826 0.000) 14.410 28.112 ( -1.811 11.601 0.000) 11.741 28.130 ( -2.949 9.087 0.000) 9.554 28.287 ( -0.626 11.316 0.000) 11.334 28.360 ( -9.374 13.267 0.000) 16.244 ======================= Grid point 15 (10/30) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 0.000 24.004 0.000) 24.004 2.743 ( 0.000 19.332 0.000) 19.332 3.021 ( 0.000 14.456 0.000) 14.456 3.171 ( 0.000 3.716 0.000) 3.716 3.284 ( 0.000 1.413 0.000) 1.413 3.441 ( 0.000 13.504 0.000) 13.504 3.568 ( 0.000 12.115 0.000) 12.115 3.602 ( 0.000 6.303 0.000) 6.303 3.605 ( 0.000 15.286 0.000) 15.286 3.738 ( 0.000 -11.037 0.000) 11.037 3.760 ( 0.000 10.768 0.000) 10.768 3.876 ( 0.000 6.750 0.000) 6.750 3.991 ( 0.000 -2.018 0.000) 2.018 4.120 ( 0.000 0.736 0.000) 0.736 4.125 ( 0.000 22.114 0.000) 22.114 4.184 ( 0.000 3.741 0.000) 3.741 4.376 ( 0.000 -11.260 0.000) 11.260 4.402 ( 0.000 -9.948 0.000) 9.948 4.449 ( 0.000 -1.744 0.000) 1.744 4.539 ( 0.000 -12.696 0.000) 12.696 4.553 ( 0.000 11.506 0.000) 11.506 4.685 ( 0.000 -0.625 0.000) 0.625 4.730 ( 0.000 26.290 0.000) 26.290 4.766 ( 0.000 3.364 0.000) 3.364 4.767 ( 0.000 0.732 0.000) 0.732 4.943 ( 0.000 8.378 0.000) 8.378 5.206 ( 0.000 1.919 0.000) 1.919 5.208 ( 0.000 7.548 0.000) 7.548 5.267 ( 0.000 1.879 0.000) 1.879 5.327 ( 0.000 6.274 0.000) 6.274 5.415 ( 0.000 -7.612 0.000) 7.612 5.462 ( 0.000 3.662 0.000) 3.662 5.492 ( 0.000 2.453 0.000) 2.453 5.514 ( 0.000 19.969 0.000) 19.969 5.577 ( 0.000 6.026 0.000) 6.026 5.703 ( 0.000 10.088 0.000) 10.088 5.717 ( 0.000 2.345 0.000) 2.345 5.750 ( 0.000 -1.131 0.000) 1.131 5.847 ( 0.000 7.135 0.000) 7.135 5.850 ( 0.000 6.302 0.000) 6.302 5.936 ( 0.000 -3.846 0.000) 3.846 6.052 ( 0.000 3.769 0.000) 3.769 6.131 ( 0.000 22.902 0.000) 22.902 6.152 ( 0.000 0.826 0.000) 0.826 6.182 ( 0.000 15.385 0.000) 15.385 6.281 ( 0.000 -8.794 0.000) 8.794 6.344 ( 0.000 3.022 0.000) 3.022 6.437 ( 0.000 4.905 0.000) 4.905 6.508 ( 0.000 2.909 0.000) 2.909 6.558 ( 0.000 7.837 0.000) 7.837 6.578 ( 0.000 10.986 0.000) 10.986 6.629 ( 0.000 8.172 0.000) 8.172 6.704 ( 0.000 -5.696 0.000) 5.696 6.739 ( 0.000 -7.373 0.000) 7.373 6.802 ( 0.000 9.944 0.000) 9.944 6.825 ( 0.000 -28.762 0.000) 28.762 6.847 ( 0.000 -6.248 0.000) 6.248 6.902 ( 0.000 -7.548 0.000) 7.548 7.008 ( 0.000 -12.117 0.000) 12.117 7.036 ( 0.000 -13.651 0.000) 13.651 7.133 ( 0.000 -7.876 0.000) 7.876 7.299 ( 0.000 13.871 0.000) 13.871 7.338 ( 0.000 -1.864 0.000) 1.864 7.415 ( 0.000 -1.097 0.000) 1.097 7.421 ( 0.000 5.936 0.000) 5.936 7.538 ( 0.000 -8.419 0.000) 8.419 7.584 ( 0.000 -22.707 0.000) 22.707 7.654 ( 0.000 21.750 0.000) 21.750 7.852 ( 0.000 13.002 0.000) 13.002 7.881 ( 0.000 -7.881 0.000) 7.881 7.901 ( 0.000 -15.193 0.000) 15.193 7.923 ( 0.000 6.995 0.000) 6.995 7.981 ( 0.000 9.055 0.000) 9.055 8.090 ( 0.000 24.840 0.000) 24.840 8.207 ( 0.000 3.379 0.000) 3.379 8.211 ( 0.000 -8.379 0.000) 8.379 8.314 ( 0.000 -12.370 0.000) 12.370 8.366 ( 0.000 25.414 0.000) 25.414 8.411 ( 0.000 2.581 0.000) 2.581 8.446 ( 0.000 -3.935 0.000) 3.935 8.469 ( 0.000 -3.649 0.000) 3.649 8.593 ( 0.000 -6.451 0.000) 6.451 8.619 ( 0.000 4.536 0.000) 4.536 8.640 ( 0.000 6.956 0.000) 6.956 8.739 ( 0.000 12.766 0.000) 12.766 8.781 ( 0.000 -16.555 0.000) 16.555 8.834 ( 0.000 -12.408 0.000) 12.408 8.893 ( 0.000 4.434 0.000) 4.434 8.911 ( 0.000 -5.629 0.000) 5.629 8.945 ( 0.000 1.538 0.000) 1.538 9.054 ( 0.000 1.724 0.000) 1.724 9.055 ( 0.000 5.690 0.000) 5.690 9.154 ( 0.000 18.880 0.000) 18.880 9.165 ( 0.000 -5.034 0.000) 5.034 9.364 ( 0.000 -2.247 0.000) 2.247 9.526 ( 0.000 4.182 0.000) 4.182 9.531 ( 0.000 -8.994 0.000) 8.994 9.631 ( 0.000 1.590 0.000) 1.590 9.725 ( 0.000 9.158 0.000) 9.158 9.792 ( 0.000 -17.206 0.000) 17.206 9.947 ( 0.000 -4.634 0.000) 4.634 10.084 ( 0.000 -2.003 0.000) 2.003 10.177 ( 0.000 -21.494 0.000) 21.494 10.250 ( 0.000 7.143 0.000) 7.143 10.365 ( 0.000 5.145 0.000) 5.145 10.413 ( 0.000 -20.800 0.000) 20.800 10.573 ( 0.000 8.093 0.000) 8.093 10.633 ( 0.000 12.224 0.000) 12.224 10.787 ( 0.000 8.662 0.000) 8.662 10.965 ( 0.000 2.371 0.000) 2.371 11.249 ( 0.000 -5.074 0.000) 5.074 11.413 ( 0.000 -1.969 0.000) 1.969 11.551 ( 0.000 -16.122 0.000) 16.122 11.563 ( 0.000 -0.440 0.000) 0.440 11.854 ( 0.000 0.587 0.000) 0.587 11.869 ( 0.000 4.075 0.000) 4.075 12.155 ( 0.000 5.618 0.000) 5.618 12.200 ( 0.000 -19.595 0.000) 19.595 12.224 ( 0.000 -12.673 0.000) 12.673 12.235 ( 0.000 -10.285 0.000) 10.285 12.340 ( 0.000 5.523 0.000) 5.523 12.490 ( 0.000 -5.119 0.000) 5.119 12.498 ( 0.000 -10.403 0.000) 10.403 12.611 ( 0.000 -17.415 0.000) 17.415 12.731 ( 0.000 3.043 0.000) 3.043 12.788 ( 0.000 19.092 0.000) 19.092 12.989 ( 0.000 -4.926 0.000) 4.926 13.054 ( 0.000 1.753 0.000) 1.753 13.077 ( 0.000 4.769 0.000) 4.769 13.130 ( 0.000 1.353 0.000) 1.353 13.326 ( 0.000 0.161 0.000) 0.161 13.383 ( 0.000 -0.023 0.000) 0.023 13.434 ( 0.000 2.225 0.000) 2.225 13.526 ( 0.000 0.834 0.000) 0.834 13.620 ( 0.000 22.544 0.000) 22.544 13.724 ( 0.000 -2.802 0.000) 2.802 13.810 ( 0.000 -9.849 0.000) 9.849 13.961 ( 0.000 14.762 0.000) 14.762 14.481 ( 0.000 2.439 0.000) 2.439 14.641 ( 0.000 -4.386 0.000) 4.386 14.740 ( 0.000 -28.905 0.000) 28.905 14.949 ( 0.000 -27.999 0.000) 27.999 15.309 ( 0.000 -2.420 0.000) 2.420 15.474 ( 0.000 -7.935 0.000) 7.935 15.484 ( 0.000 1.067 0.000) 1.067 15.639 ( 0.000 -6.698 0.000) 6.698 15.983 ( 0.000 10.200 0.000) 10.200 16.316 ( 0.000 -5.882 0.000) 5.882 16.380 ( 0.000 2.944 0.000) 2.944 16.490 ( 0.000 0.274 0.000) 0.274 16.534 ( 0.000 -2.088 0.000) 2.088 16.566 ( 0.000 -5.541 0.000) 5.541 16.946 ( 0.000 7.456 0.000) 7.456 17.125 ( 0.000 0.296 0.000) 0.296 17.189 ( 0.000 -5.879 0.000) 5.879 17.202 ( 0.000 -2.320 0.000) 2.320 17.548 ( 0.000 0.461 0.000) 0.461 17.549 ( 0.000 2.316 0.000) 2.316 17.879 ( 0.000 0.965 0.000) 0.965 17.935 ( 0.000 -0.548 0.000) 0.548 17.992 ( 0.000 5.633 0.000) 5.633 18.144 ( 0.000 -1.572 0.000) 1.572 18.300 ( 0.000 5.239 0.000) 5.239 18.710 ( 0.000 -14.372 0.000) 14.372 19.016 ( 0.000 1.659 0.000) 1.659 19.130 ( 0.000 -3.679 0.000) 3.679 19.245 ( 0.000 7.493 0.000) 7.493 19.710 ( 0.000 -14.867 0.000) 14.867 20.081 ( 0.000 8.693 0.000) 8.693 20.144 ( 0.000 10.457 0.000) 10.457 20.475 ( 0.000 -10.172 0.000) 10.172 20.726 ( 0.000 -18.802 0.000) 18.802 23.348 ( 0.000 9.428 0.000) 9.428 23.423 ( 0.000 9.368 0.000) 9.368 23.496 ( 0.000 0.124 0.000) 0.124 23.518 ( 0.000 -0.801 0.000) 0.801 23.537 ( 0.000 0.054 0.000) 0.054 23.555 ( 0.000 -0.736 0.000) 0.736 23.749 ( 0.000 -8.979 0.000) 8.979 23.831 ( 0.000 -9.166 0.000) 9.166 24.592 ( 0.000 0.289 0.000) 0.289 24.613 ( 0.000 -0.700 0.000) 0.700 25.300 ( 0.000 0.808 0.000) 0.808 25.399 ( 0.000 -4.960 0.000) 4.960 25.569 ( 0.000 0.977 0.000) 0.977 25.612 ( 0.000 0.248 0.000) 0.248 25.949 ( 0.000 4.310 0.000) 4.310 26.057 ( 0.000 1.559 0.000) 1.559 26.069 ( 0.000 0.479 0.000) 0.479 26.103 ( 0.000 6.977 0.000) 6.977 26.106 ( 0.000 6.063 0.000) 6.063 26.166 ( 0.000 7.441 0.000) 7.441 26.213 ( 0.000 -7.047 0.000) 7.047 26.235 ( 0.000 3.838 0.000) 3.838 26.332 ( 0.000 5.079 0.000) 5.079 26.404 ( 0.000 1.068 0.000) 1.068 27.345 ( 0.000 8.160 0.000) 8.160 27.345 ( 0.000 9.991 0.000) 9.991 27.557 ( 0.000 1.430 0.000) 1.430 27.609 ( 0.000 -4.546 0.000) 4.546 28.419 ( 0.000 7.350 0.000) 7.350 28.462 ( 0.000 6.726 0.000) 6.726 28.596 ( 0.000 11.406 0.000) 11.406 28.982 ( 0.000 -7.175 0.000) 7.175 ======================= Grid point 16 (11/30) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 8.911 22.744 0.000) 24.427 2.845 ( 8.098 16.315 0.000) 18.214 3.068 ( 4.243 15.691 0.000) 16.255 3.138 ( -1.913 2.783 0.000) 3.377 3.273 ( -0.507 2.210 0.000) 2.267 3.385 ( -3.403 12.188 0.000) 12.654 3.626 ( 1.163 8.905 0.000) 8.980 3.675 ( 6.029 8.092 0.000) 10.091 3.677 ( 5.428 7.266 0.000) 9.070 3.762 ( 1.315 -7.527 0.000) 7.641 3.850 ( 5.150 8.275 0.000) 9.747 3.974 ( 10.119 12.335 0.000) 15.954 4.020 ( 2.462 -0.428 0.000) 2.499 4.102 ( -6.085 3.447 0.000) 6.993 4.130 ( 4.416 4.322 0.000) 6.179 4.229 ( 2.316 8.225 0.000) 8.544 4.303 ( -0.966 -2.923 0.000) 3.079 4.386 ( -4.427 0.618 0.000) 4.470 4.411 ( -2.003 0.011 0.000) 2.003 4.534 ( 2.097 -18.944 0.000) 19.060 4.590 ( 1.475 4.989 0.000) 5.203 4.680 ( -0.732 -1.704 0.000) 1.855 4.786 ( 4.300 16.152 0.000) 16.715 4.800 ( 2.129 1.278 0.000) 2.483 4.825 ( 4.081 3.459 0.000) 5.350 5.024 ( 6.336 8.153 0.000) 10.326 5.067 ( -5.920 6.640 0.000) 8.896 5.100 ( -6.546 -2.939 0.000) 7.175 5.188 ( -6.715 0.914 0.000) 6.776 5.334 ( 3.957 2.007 0.000) 4.437 5.356 ( -5.102 -1.644 0.000) 5.360 5.430 ( -1.559 1.616 0.000) 2.245 5.472 ( -1.588 -0.168 0.000) 1.596 5.568 ( 1.857 13.749 0.000) 13.874 5.658 ( 5.492 7.429 0.000) 9.239 5.756 ( -3.697 -5.952 0.000) 7.007 5.761 ( 4.332 7.803 0.000) 8.925 5.788 ( 3.568 10.005 0.000) 10.623 5.937 ( 4.440 10.046 0.000) 10.983 5.964 ( 1.092 7.607 0.000) 7.685 5.982 ( -5.679 0.822 0.000) 5.738 6.003 ( 9.572 6.147 0.000) 11.376 6.128 ( -2.310 -2.407 0.000) 3.336 6.132 ( 0.524 11.496 0.000) 11.508 6.188 ( 5.489 15.667 0.000) 16.601 6.222 ( -4.759 -2.148 0.000) 5.222 6.299 ( -3.585 -2.553 0.000) 4.401 6.358 ( -8.235 5.902 0.000) 10.132 6.362 ( -7.465 -4.581 0.000) 8.759 6.439 ( -1.029 11.262 0.000) 11.309 6.609 ( -1.447 11.180 0.000) 11.274 6.662 ( -1.425 0.205 0.000) 1.439 6.671 ( -0.945 -3.441 0.000) 3.568 6.706 ( 6.738 6.001 0.000) 9.023 6.798 ( -1.559 -9.060 0.000) 9.193 6.905 ( 6.864 -4.791 0.000) 8.371 7.012 ( 8.313 -3.028 0.000) 8.848 7.051 ( 6.086 -11.099 0.000) 12.658 7.102 ( 10.324 0.354 0.000) 10.330 7.137 ( 5.985 -13.930 0.000) 15.161 7.193 ( 3.929 -8.857 0.000) 9.689 7.234 ( -0.010 8.625 0.000) 8.625 7.341 ( -0.322 2.667 0.000) 2.686 7.371 ( -4.148 3.149 0.000) 5.208 7.473 ( -2.058 -5.859 0.000) 6.210 7.489 ( 1.522 3.909 0.000) 4.195 7.589 ( -3.704 0.662 0.000) 3.763 7.742 ( 7.758 18.971 0.000) 20.495 7.757 ( -2.663 -7.398 0.000) 7.863 7.885 ( -2.546 -0.380 0.000) 2.574 7.895 ( -17.632 5.260 0.000) 18.400 8.001 ( 5.230 2.295 0.000) 5.711 8.005 ( -7.463 -1.359 0.000) 7.586 8.018 ( 7.960 5.746 0.000) 9.817 8.093 ( 5.454 7.253 0.000) 9.075 8.252 ( 3.517 9.597 0.000) 10.222 8.294 ( -2.452 -2.577 0.000) 3.557 8.339 ( -0.074 12.362 0.000) 12.362 8.356 ( -7.604 4.459 0.000) 8.815 8.421 ( -4.144 -2.358 0.000) 4.768 8.447 ( -5.527 0.795 0.000) 5.584 8.492 ( -10.099 0.852 0.000) 10.135 8.569 ( -0.540 2.172 0.000) 2.238 8.627 ( -7.066 -9.314 0.000) 11.691 8.632 ( -7.119 3.126 0.000) 7.775 8.669 ( -5.554 -8.451 0.000) 10.113 8.786 ( 0.841 3.394 0.000) 3.496 8.797 ( -6.682 2.567 0.000) 7.158 8.843 ( -2.591 -6.866 0.000) 7.338 8.927 ( -5.398 0.781 0.000) 5.454 9.043 ( 6.661 -0.153 0.000) 6.663 9.106 ( -3.246 2.024 0.000) 3.825 9.113 ( 6.220 5.447 0.000) 8.268 9.173 ( 4.249 -5.546 0.000) 6.987 9.371 ( -2.098 -0.484 0.000) 2.153 9.528 ( -9.804 2.201 0.000) 10.048 9.596 ( 1.608 -0.335 0.000) 1.643 9.726 ( 9.678 4.506 0.000) 10.676 9.800 ( 10.607 -11.595 0.000) 15.714 9.978 ( 10.345 -1.079 0.000) 10.401 10.033 ( 5.535 -2.469 0.000) 6.061 10.158 ( 6.104 3.176 0.000) 6.880 10.193 ( -0.663 0.700 0.000) 0.964 10.223 ( 5.240 -14.972 0.000) 15.863 10.313 ( -4.316 1.869 0.000) 4.703 10.398 ( -4.895 -4.632 0.000) 6.739 10.554 ( 0.654 -3.707 0.000) 3.764 10.670 ( 0.534 5.919 0.000) 5.943 10.697 ( -5.471 3.320 0.000) 6.400 10.985 ( 1.196 3.290 0.000) 3.501 11.247 ( -10.937 -3.683 0.000) 11.540 11.279 ( -0.503 -4.180 0.000) 4.210 11.439 ( -11.895 -4.214 0.000) 12.620 11.588 ( 1.601 0.227 0.000) 1.617 11.728 ( -10.318 -1.267 0.000) 10.395 11.882 ( 1.125 -1.818 0.000) 2.138 11.928 ( -22.462 -8.801 0.000) 24.124 12.035 ( -13.035 -11.005 0.000) 17.059 12.147 ( -0.872 -5.527 0.000) 5.595 12.196 ( 2.397 -0.471 0.000) 2.443 12.366 ( 2.269 -4.652 0.000) 5.176 12.384 ( -3.995 -6.092 0.000) 7.286 12.575 ( 3.382 -7.540 0.000) 8.263 12.605 ( 4.112 -15.168 0.000) 15.715 12.736 ( 0.639 2.742 0.000) 2.816 12.952 ( -3.529 -6.451 0.000) 7.353 13.028 ( 9.797 6.883 0.000) 11.973 13.111 ( 3.891 4.889 0.000) 6.248 13.119 ( 2.681 2.063 0.000) 3.383 13.153 ( 2.381 1.250 0.000) 2.689 13.250 ( -2.059 0.891 0.000) 2.243 13.343 ( -2.669 -4.902 0.000) 5.582 13.406 ( -4.358 -2.988 0.000) 5.284 13.449 ( 2.207 -3.346 0.000) 4.008 13.646 ( -5.933 -2.751 0.000) 6.540 13.718 ( -3.146 -6.205 0.000) 6.957 14.037 ( 20.994 15.598 0.000) 26.154 14.130 ( 10.398 9.354 0.000) 13.986 14.318 ( -11.971 -8.296 0.000) 14.564 14.701 ( 19.299 11.366 0.000) 22.397 14.881 ( 5.112 -14.306 0.000) 15.192 15.300 ( 14.701 -13.235 0.000) 19.781 15.325 ( 1.425 -3.166 0.000) 3.472 15.455 ( -1.010 -7.178 0.000) 7.249 15.620 ( 13.944 -7.244 0.000) 15.713 15.644 ( 0.407 -5.664 0.000) 5.679 15.952 ( -2.010 9.607 0.000) 9.816 16.299 ( -1.541 -6.168 0.000) 6.358 16.341 ( -3.569 3.588 0.000) 5.061 16.481 ( -0.599 0.536 0.000) 0.804 16.523 ( -1.995 -2.313 0.000) 3.054 16.533 ( -1.909 -4.981 0.000) 5.334 16.797 ( -8.374 8.403 0.000) 11.863 17.102 ( -6.711 -6.430 0.000) 9.294 17.162 ( 0.653 -1.524 0.000) 1.658 17.194 ( -2.051 -2.147 0.000) 2.969 17.558 ( 1.107 0.604 0.000) 1.261 17.563 ( 1.536 1.920 0.000) 2.459 17.818 ( -4.042 1.173 0.000) 4.209 17.872 ( -5.231 -0.595 0.000) 5.265 18.049 ( 3.537 3.717 0.000) 5.131 18.141 ( -0.229 -0.745 0.000) 0.779 18.381 ( 6.269 1.547 0.000) 6.457 18.691 ( -1.756 -12.552 0.000) 12.674 19.025 ( 0.795 0.911 0.000) 1.209 19.113 ( -1.384 -2.926 0.000) 3.237 19.320 ( 6.206 5.853 0.000) 8.531 19.687 ( -2.211 -11.076 0.000) 11.295 20.127 ( 3.878 5.167 0.000) 6.461 20.195 ( 4.272 5.421 0.000) 6.902 20.447 ( -2.312 -8.781 0.000) 9.080 20.664 ( -5.252 -16.279 0.000) 17.105 23.390 ( 3.437 7.595 0.000) 8.336 23.483 ( 3.729 5.139 0.000) 6.349 23.512 ( 1.529 -0.372 0.000) 1.573 23.518 ( 0.167 -0.028 0.000) 0.169 23.558 ( 0.170 -0.626 0.000) 0.649 23.560 ( 2.783 0.369 0.000) 2.807 23.728 ( -1.904 -7.640 0.000) 7.874 23.823 ( -0.871 -8.095 0.000) 8.141 24.594 ( 0.226 0.213 0.000) 0.310 24.611 ( -0.142 -0.574 0.000) 0.591 25.305 ( 0.445 0.323 0.000) 0.550 25.379 ( -1.599 -3.831 0.000) 4.151 25.564 ( -0.352 1.296 0.000) 1.343 25.601 ( -1.008 0.737 0.000) 1.249 25.909 ( -2.053 2.358 0.000) 3.127 26.000 ( -3.267 1.810 0.000) 3.735 26.037 ( -0.322 0.192 0.000) 0.375 26.075 ( -3.077 -2.487 0.000) 3.956 26.206 ( 5.890 6.622 0.000) 8.863 26.228 ( 5.685 4.659 0.000) 7.350 26.289 ( 9.546 8.443 0.000) 12.744 26.360 ( 3.528 4.410 0.000) 5.647 26.421 ( 8.604 2.231 0.000) 8.888 26.436 ( 2.628 1.599 0.000) 3.076 27.295 ( -4.130 8.850 0.000) 9.766 27.317 ( -2.399 7.221 0.000) 7.609 27.474 ( -6.766 2.836 0.000) 7.336 27.563 ( -4.280 -3.468 0.000) 5.509 28.377 ( -3.549 7.079 0.000) 7.918 28.408 ( -4.449 6.860 0.000) 8.177 28.549 ( -3.674 9.890 0.000) 10.550 28.809 ( -13.449 -1.656 0.000) 13.551 ======================= Grid point 17 (12/30) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 5.735 18.190 0.000) 19.073 2.996 ( 3.708 9.838 0.000) 10.513 3.141 ( 3.380 -0.913 0.000) 3.501 3.192 ( 4.891 11.312 0.000) 12.324 3.261 ( -0.298 7.913 0.000) 7.919 3.323 ( -2.716 11.287 0.000) 11.609 3.626 ( 0.613 8.147 0.000) 8.170 3.712 ( -5.097 13.613 0.000) 14.536 3.780 ( 3.314 6.714 0.000) 7.487 3.785 ( 2.412 2.093 0.000) 3.193 3.925 ( 1.439 -3.552 0.000) 3.833 3.956 ( -3.878 -2.444 0.000) 4.584 4.106 ( 3.484 1.983 0.000) 4.008 4.138 ( -0.336 0.697 0.000) 0.774 4.222 ( 6.120 13.838 0.000) 15.131 4.237 ( -1.458 1.286 0.000) 1.944 4.317 ( -3.238 -1.739 0.000) 3.675 4.326 ( -0.260 -0.342 0.000) 0.430 4.492 ( 12.947 9.692 0.000) 16.173 4.589 ( 0.484 2.361 0.000) 2.410 4.618 ( -0.093 -7.627 0.000) 7.627 4.670 ( 3.007 -4.627 0.000) 5.518 4.770 ( -4.733 4.704 0.000) 6.673 4.845 ( -2.732 -2.121 0.000) 3.459 4.891 ( 3.729 -0.150 0.000) 3.733 4.993 ( -4.836 -4.279 0.000) 6.457 5.044 ( 3.973 -1.846 0.000) 4.381 5.088 ( 0.404 -5.025 0.000) 5.041 5.225 ( 6.527 7.770 0.000) 10.148 5.266 ( -3.517 2.288 0.000) 4.196 5.384 ( -0.435 4.550 0.000) 4.570 5.414 ( -0.310 1.176 0.000) 1.216 5.479 ( 4.830 -2.222 0.000) 5.316 5.625 ( -7.196 -2.068 0.000) 7.487 5.638 ( 1.300 1.886 0.000) 2.291 5.683 ( -3.539 3.887 0.000) 5.257 5.765 ( 5.370 4.367 0.000) 6.921 5.860 ( -4.071 4.458 0.000) 6.037 5.896 ( 0.870 8.475 0.000) 8.519 5.963 ( 1.585 -2.884 0.000) 3.291 6.000 ( 1.681 1.798 0.000) 2.461 6.009 ( -6.515 8.737 0.000) 10.898 6.081 ( -0.178 8.298 0.000) 8.300 6.112 ( -0.925 5.600 0.000) 5.676 6.134 ( -5.737 0.318 0.000) 5.745 6.187 ( -5.962 -2.514 0.000) 6.470 6.317 ( 2.237 -0.464 0.000) 2.284 6.318 ( 4.344 3.751 0.000) 5.739 6.339 ( 6.513 25.441 0.000) 26.262 6.551 ( -7.299 14.857 0.000) 16.553 6.568 ( 11.885 13.082 0.000) 17.674 6.696 ( 5.556 -1.211 0.000) 5.687 6.723 ( 1.756 1.049 0.000) 2.045 6.806 ( 3.001 -0.993 0.000) 3.161 6.870 ( 6.767 2.573 0.000) 7.240 6.989 ( -9.874 7.042 0.000) 12.128 7.032 ( -0.009 -2.879 0.000) 2.879 7.072 ( -9.909 -6.301 0.000) 11.743 7.117 ( 7.296 -6.114 0.000) 9.519 7.247 ( 4.714 0.864 0.000) 4.792 7.256 ( -0.813 -9.213 0.000) 9.249 7.337 ( -0.116 7.321 0.000) 7.322 7.349 ( 0.423 3.961 0.000) 3.983 7.402 ( -10.761 8.893 0.000) 13.961 7.421 ( 1.463 2.214 0.000) 2.654 7.446 ( -1.213 -0.572 0.000) 1.341 7.529 ( 13.162 10.876 0.000) 17.074 7.678 ( 1.142 -8.096 0.000) 8.176 7.743 ( 1.185 5.459 0.000) 5.586 7.801 ( -6.335 6.177 0.000) 8.848 7.837 ( -3.051 3.887 0.000) 4.942 7.897 ( 2.635 4.241 0.000) 4.993 8.098 ( -2.143 11.129 0.000) 11.333 8.139 ( -0.537 -7.596 0.000) 7.615 8.170 ( -9.198 9.414 0.000) 13.162 8.214 ( -2.845 4.285 0.000) 5.144 8.220 ( 7.441 3.511 0.000) 8.228 8.261 ( 2.895 3.602 0.000) 4.621 8.308 ( -3.730 -3.232 0.000) 4.936 8.315 ( -1.973 9.564 0.000) 9.765 8.349 ( -2.499 -0.869 0.000) 2.646 8.393 ( 3.862 -1.588 0.000) 4.176 8.497 ( -2.133 -3.327 0.000) 3.952 8.523 ( -0.970 -7.281 0.000) 7.345 8.587 ( -2.504 0.974 0.000) 2.687 8.595 ( -2.420 0.985 0.000) 2.613 8.723 ( -4.894 9.997 0.000) 11.131 8.738 ( -4.449 -3.313 0.000) 5.547 8.755 ( -2.325 -3.753 0.000) 4.415 8.757 ( -4.642 1.560 0.000) 4.898 9.077 ( 3.227 8.139 0.000) 8.756 9.128 ( 5.173 -8.247 0.000) 9.735 9.230 ( -6.944 7.458 0.000) 10.191 9.309 ( -9.329 -5.541 0.000) 10.850 9.382 ( 13.784 -4.084 0.000) 14.376 9.567 ( -3.612 -1.098 0.000) 3.776 9.572 ( 22.824 -6.447 0.000) 23.717 9.845 ( 4.814 7.512 0.000) 8.922 9.948 ( -8.416 0.348 0.000) 8.423 10.070 ( 2.015 -0.411 0.000) 2.057 10.077 ( 1.957 -7.977 0.000) 8.213 10.139 ( -13.692 10.492 0.000) 17.249 10.221 ( -1.606 0.971 0.000) 1.876 10.277 ( 1.077 2.896 0.000) 3.090 10.377 ( 13.135 -2.456 0.000) 13.363 10.400 ( 8.797 -3.506 0.000) 9.470 10.551 ( -1.380 -2.392 0.000) 2.762 10.583 ( -7.648 -0.529 0.000) 7.666 10.787 ( 11.749 -11.684 0.000) 16.570 10.918 ( -8.743 1.376 0.000) 8.850 10.939 ( -10.410 -5.061 0.000) 11.575 11.125 ( -13.053 -2.522 0.000) 13.294 11.317 ( 1.962 -4.124 0.000) 4.567 11.442 ( -14.053 -0.725 0.000) 14.072 11.600 ( -0.511 -2.350 0.000) 2.405 11.608 ( -2.509 -10.729 0.000) 11.019 11.870 ( -1.113 -10.070 0.000) 10.131 11.882 ( -2.815 -15.135 0.000) 15.395 12.179 ( 2.192 -6.814 0.000) 7.158 12.212 ( -0.604 -13.290 0.000) 13.303 12.361 ( 0.576 3.308 0.000) 3.358 12.375 ( -0.594 -3.296 0.000) 3.349 12.642 ( 2.673 -7.405 0.000) 7.873 12.673 ( 0.648 -10.583 0.000) 10.603 12.764 ( 2.713 -1.987 0.000) 3.363 12.850 ( -4.910 -7.208 0.000) 8.721 13.141 ( 2.602 3.920 0.000) 4.705 13.146 ( 0.899 0.485 0.000) 1.021 13.182 ( 0.094 1.136 0.000) 1.139 13.191 ( 0.197 1.930 0.000) 1.940 13.282 ( 3.065 -1.893 0.000) 3.602 13.318 ( -1.826 -3.738 0.000) 4.160 13.350 ( 4.406 -4.258 0.000) 6.127 13.494 ( -7.368 -2.867 0.000) 7.906 13.572 ( 5.709 -5.467 0.000) 7.905 13.663 ( -2.796 -6.254 0.000) 6.850 14.166 ( 1.257 0.139 0.000) 1.264 14.187 ( -1.818 -1.840 0.000) 2.587 14.574 ( 19.539 16.625 0.000) 25.655 14.872 ( -7.075 4.698 0.000) 8.493 15.167 ( 19.673 14.567 0.000) 24.479 15.364 ( 1.922 -4.887 0.000) 5.251 15.393 ( -0.895 -4.405 0.000) 4.495 15.430 ( -4.138 -0.761 0.000) 4.207 15.671 ( 3.156 -1.206 0.000) 3.378 15.816 ( -6.864 7.183 0.000) 9.936 16.053 ( 14.555 -9.349 0.000) 17.299 16.244 ( -4.107 -6.706 0.000) 7.864 16.305 ( 3.341 -0.736 0.000) 3.422 16.434 ( -5.543 -4.053 0.000) 6.867 16.475 ( 0.243 -0.548 0.000) 0.600 16.500 ( -1.760 -2.537 0.000) 3.088 16.717 ( 2.309 0.979 0.000) 2.508 16.892 ( -11.494 -6.589 0.000) 13.248 17.152 ( -0.798 -1.791 0.000) 1.961 17.152 ( -1.082 -1.334 0.000) 1.717 17.598 ( 2.361 1.138 0.000) 2.621 17.609 ( 2.001 1.409 0.000) 2.448 17.736 ( -2.983 0.174 0.000) 2.988 17.749 ( -4.741 -0.394 0.000) 4.758 18.111 ( 1.903 1.811 0.000) 2.627 18.134 ( -0.500 0.547 0.000) 0.741 18.522 ( 6.043 -3.934 0.000) 7.210 18.631 ( -3.870 -8.598 0.000) 9.428 19.048 ( 1.242 -0.410 0.000) 1.308 19.079 ( -1.581 -1.632 0.000) 2.273 19.475 ( 7.231 1.558 0.000) 7.397 19.610 ( -4.914 -4.347 0.000) 6.561 20.226 ( 4.591 -1.614 0.000) 4.866 20.284 ( 1.352 -4.354 0.000) 4.559 20.411 ( 1.325 -4.654 0.000) 4.839 20.525 ( -6.908 -10.130 0.000) 12.261 23.464 ( 2.685 3.616 0.000) 4.504 23.500 ( -0.832 0.834 0.000) 1.178 23.542 ( 1.131 0.702 0.000) 1.332 23.557 ( -0.138 -0.315 0.000) 0.344 23.569 ( 3.546 -1.799 0.000) 3.977 23.644 ( -0.599 -3.893 0.000) 3.939 23.693 ( 2.701 -1.880 0.000) 3.291 23.782 ( -3.179 -5.131 0.000) 6.036 24.600 ( 0.308 0.006 0.000) 0.308 24.607 ( -0.260 -0.287 0.000) 0.387 25.318 ( 0.805 -0.789 0.000) 1.127 25.343 ( -1.475 -2.143 0.000) 2.602 25.561 ( 0.185 1.765 0.000) 1.775 25.575 ( -1.103 1.639 0.000) 1.976 25.891 ( 0.530 0.253 0.000) 0.588 25.929 ( -2.808 -0.192 0.000) 2.814 26.044 ( 0.468 -1.453 0.000) 1.526 26.048 ( -0.074 -1.987 0.000) 1.988 26.318 ( 3.696 7.533 0.000) 8.391 26.336 ( 2.560 6.754 0.000) 7.223 26.439 ( 3.603 3.866 0.000) 5.285 26.467 ( 2.391 2.959 0.000) 3.804 26.527 ( 7.097 7.569 0.000) 10.376 26.576 ( 3.779 5.169 0.000) 6.403 27.211 ( -2.150 6.505 0.000) 6.851 27.243 ( -4.229 4.667 0.000) 6.298 27.352 ( -1.617 5.263 0.000) 5.506 27.429 ( -7.000 0.672 0.000) 7.032 28.300 ( -2.432 6.688 0.000) 7.117 28.309 ( -3.390 6.866 0.000) 7.657 28.481 ( -1.311 7.304 0.000) 7.421 28.545 ( -8.121 4.993 0.000) 9.533 ======================= Grid point 20 (13/30) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.860 ( 0.000 -0.556 0.000) 0.556 2.860 ( 0.000 0.556 0.000) 0.556 3.268 ( 0.000 -2.930 0.000) 2.930 3.268 ( 0.000 2.930 0.000) 2.930 3.445 ( 0.000 -17.616 0.000) 17.616 3.445 ( 0.000 17.616 0.000) 17.616 3.685 ( 0.000 -0.493 0.000) 0.493 3.685 ( 0.000 0.493 0.000) 0.493 3.849 ( 0.000 -13.689 0.000) 13.689 3.849 ( 0.000 13.689 0.000) 13.689 3.905 ( 0.000 -4.070 0.000) 4.070 3.905 ( 0.000 4.070 0.000) 4.070 4.033 ( 0.000 -5.484 0.000) 5.484 4.033 ( 0.000 5.484 0.000) 5.484 4.069 ( 0.000 -6.882 0.000) 6.882 4.069 ( 0.000 6.882 0.000) 6.882 4.320 ( 0.000 -8.599 0.000) 8.599 4.320 ( 0.000 8.599 0.000) 8.599 4.423 ( 0.000 -7.096 0.000) 7.096 4.423 ( 0.000 7.096 0.000) 7.096 4.721 ( 0.000 -3.706 0.000) 3.706 4.721 ( 0.000 3.706 0.000) 3.706 4.728 ( 0.000 -4.589 0.000) 4.589 4.728 ( 0.000 4.589 0.000) 4.589 5.164 ( 0.000 -13.652 0.000) 13.652 5.164 ( 0.000 13.652 0.000) 13.652 5.170 ( 0.000 -6.982 0.000) 6.982 5.170 ( 0.000 6.982 0.000) 6.982 5.307 ( 0.000 -10.974 0.000) 10.974 5.307 ( 0.000 10.974 0.000) 10.974 5.350 ( 0.000 -1.771 0.000) 1.771 5.350 ( 0.000 1.771 0.000) 1.771 5.669 ( 0.000 -1.702 0.000) 1.702 5.669 ( 0.000 1.702 0.000) 1.702 5.732 ( 0.000 -0.599 0.000) 0.599 5.732 ( 0.000 0.599 0.000) 0.599 5.892 ( 0.000 -6.137 0.000) 6.137 5.892 ( 0.000 6.137 0.000) 6.137 5.972 ( 0.000 -17.461 0.000) 17.461 5.972 ( 0.000 17.461 0.000) 17.461 5.991 ( 0.000 -17.382 0.000) 17.382 5.991 ( 0.000 17.382 0.000) 17.382 6.070 ( 0.000 -11.502 0.000) 11.502 6.070 ( 0.000 11.502 0.000) 11.502 6.442 ( 0.000 -8.679 0.000) 8.679 6.442 ( 0.000 8.679 0.000) 8.679 6.444 ( 0.000 -5.262 0.000) 5.262 6.444 ( 0.000 5.262 0.000) 5.262 6.540 ( 0.000 -2.409 0.000) 2.409 6.540 ( 0.000 2.409 0.000) 2.409 6.633 ( 0.000 -2.767 0.000) 2.767 6.633 ( 0.000 2.767 0.000) 2.767 6.741 ( 0.000 -10.244 0.000) 10.244 6.741 ( 0.000 10.244 0.000) 10.244 6.748 ( 0.000 -2.759 0.000) 2.759 6.748 ( 0.000 2.759 0.000) 2.759 6.801 ( 0.000 -12.019 0.000) 12.019 6.801 ( 0.000 12.019 0.000) 12.019 6.872 ( 0.000 -12.576 0.000) 12.576 6.872 ( 0.000 12.576 0.000) 12.576 7.020 ( 0.000 -22.179 0.000) 22.179 7.020 ( 0.000 22.179 0.000) 22.179 7.366 ( 0.000 -3.534 0.000) 3.534 7.366 ( 0.000 3.534 0.000) 3.534 7.474 ( 0.000 -1.248 0.000) 1.248 7.474 ( 0.000 1.248 0.000) 1.248 7.589 ( 0.000 -15.042 0.000) 15.042 7.589 ( 0.000 15.042 0.000) 15.042 7.848 ( 0.000 -4.128 0.000) 4.128 7.848 ( 0.000 4.128 0.000) 4.128 8.013 ( 0.000 -9.097 0.000) 9.097 8.013 ( 0.000 9.097 0.000) 9.097 8.064 ( 0.000 -12.309 0.000) 12.309 8.064 ( 0.000 12.309 0.000) 12.309 8.263 ( 0.000 -15.681 0.000) 15.681 8.263 ( 0.000 15.681 0.000) 15.681 8.326 ( 0.000 -10.125 0.000) 10.125 8.326 ( 0.000 10.125 0.000) 10.125 8.443 ( 0.000 -6.974 0.000) 6.974 8.443 ( 0.000 6.974 0.000) 6.974 8.484 ( 0.000 -5.647 0.000) 5.647 8.484 ( 0.000 5.647 0.000) 5.647 8.692 ( 0.000 -3.719 0.000) 3.719 8.692 ( 0.000 3.719 0.000) 3.719 8.781 ( 0.000 -4.422 0.000) 4.422 8.781 ( 0.000 4.422 0.000) 4.422 8.887 ( 0.000 -2.234 0.000) 2.234 8.887 ( 0.000 2.234 0.000) 2.234 9.078 ( 0.000 -11.434 0.000) 11.434 9.078 ( 0.000 11.434 0.000) 11.434 9.121 ( 0.000 -0.792 0.000) 0.792 9.121 ( 0.000 0.792 0.000) 0.792 9.143 ( 0.000 -22.734 0.000) 22.734 9.143 ( 0.000 22.734 0.000) 22.734 9.406 ( 0.000 -15.459 0.000) 15.459 9.406 ( 0.000 15.459 0.000) 15.459 9.582 ( 0.000 -2.556 0.000) 2.556 9.582 ( 0.000 2.556 0.000) 2.556 9.678 ( 0.000 -27.220 0.000) 27.220 9.678 ( 0.000 27.220 0.000) 27.220 9.886 ( 0.000 -3.280 0.000) 3.280 9.886 ( 0.000 3.280 0.000) 3.280 10.090 ( 0.000 -6.452 0.000) 6.452 10.090 ( 0.000 6.452 0.000) 6.452 10.383 ( 0.000 -4.015 0.000) 4.015 10.383 ( 0.000 4.015 0.000) 4.015 10.818 ( 0.000 -5.199 0.000) 5.199 10.818 ( 0.000 5.199 0.000) 5.199 11.060 ( 0.000 -30.760 0.000) 30.760 11.060 ( 0.000 30.760 0.000) 30.760 11.099 ( 0.000 -8.471 0.000) 8.471 11.099 ( 0.000 8.471 0.000) 8.471 11.633 ( 0.000 -22.903 0.000) 22.903 11.633 ( 0.000 22.903 0.000) 22.903 11.776 ( 0.000 -18.768 0.000) 18.768 11.776 ( 0.000 18.768 0.000) 18.768 11.900 ( 0.000 -3.693 0.000) 3.693 11.900 ( 0.000 3.693 0.000) 3.693 12.292 ( 0.000 -2.508 0.000) 2.508 12.292 ( 0.000 2.508 0.000) 2.508 12.332 ( 0.000 -1.137 0.000) 1.137 12.332 ( 0.000 1.137 0.000) 1.137 12.416 ( 0.000 -2.707 0.000) 2.707 12.416 ( 0.000 2.707 0.000) 2.707 12.862 ( 0.000 -7.305 0.000) 7.305 12.862 ( 0.000 7.305 0.000) 7.305 13.033 ( 0.000 -5.202 0.000) 5.202 13.033 ( 0.000 5.202 0.000) 5.202 13.141 ( 0.000 -0.683 0.000) 0.683 13.141 ( 0.000 0.683 0.000) 0.683 13.349 ( 0.000 -2.414 0.000) 2.414 13.349 ( 0.000 2.414 0.000) 2.414 13.488 ( 0.000 -3.200 0.000) 3.200 13.488 ( 0.000 3.200 0.000) 3.200 13.717 ( 0.000 -1.488 0.000) 1.488 13.717 ( 0.000 1.488 0.000) 1.488 14.145 ( 0.000 -28.290 0.000) 28.290 14.145 ( 0.000 28.290 0.000) 28.290 14.389 ( 0.000 -25.779 0.000) 25.779 14.389 ( 0.000 25.779 0.000) 25.779 14.551 ( 0.000 -4.137 0.000) 4.137 14.551 ( 0.000 4.137 0.000) 4.137 15.342 ( 0.000 -4.673 0.000) 4.673 15.342 ( 0.000 4.673 0.000) 4.673 15.531 ( 0.000 -3.783 0.000) 3.783 15.531 ( 0.000 3.783 0.000) 3.783 16.174 ( 0.000 -8.223 0.000) 8.223 16.174 ( 0.000 8.223 0.000) 8.223 16.459 ( 0.000 -4.711 0.000) 4.711 16.459 ( 0.000 4.711 0.000) 4.711 16.502 ( 0.000 -1.003 0.000) 1.003 16.502 ( 0.000 1.003 0.000) 1.003 17.076 ( 0.000 -5.565 0.000) 5.565 17.076 ( 0.000 5.565 0.000) 5.565 17.150 ( 0.000 -2.186 0.000) 2.186 17.150 ( 0.000 2.186 0.000) 2.186 17.563 ( 0.000 -0.501 0.000) 0.501 17.563 ( 0.000 0.501 0.000) 0.501 17.908 ( 0.000 -1.689 0.000) 1.689 17.908 ( 0.000 1.689 0.000) 1.689 18.092 ( 0.000 -3.772 0.000) 3.772 18.092 ( 0.000 3.772 0.000) 3.772 18.454 ( 0.000 -10.191 0.000) 10.191 18.454 ( 0.000 10.191 0.000) 10.191 19.062 ( 0.000 -2.844 0.000) 2.844 19.062 ( 0.000 2.844 0.000) 2.844 19.438 ( 0.000 -11.485 0.000) 11.485 19.438 ( 0.000 11.485 0.000) 11.485 20.270 ( 0.000 -9.753 0.000) 9.753 20.270 ( 0.000 9.753 0.000) 9.753 20.392 ( 0.000 -14.066 0.000) 14.066 20.392 ( 0.000 14.066 0.000) 14.066 23.503 ( 0.000 -0.513 0.000) 0.513 23.503 ( 0.000 0.513 0.000) 0.513 23.542 ( 0.000 -0.130 0.000) 0.130 23.542 ( 0.000 0.130 0.000) 0.130 23.551 ( 0.000 -9.548 0.000) 9.548 23.551 ( 0.000 9.548 0.000) 9.548 23.628 ( 0.000 -10.268 0.000) 10.268 23.628 ( 0.000 10.268 0.000) 10.268 24.600 ( 0.000 -0.533 0.000) 0.533 24.600 ( 0.000 0.533 0.000) 0.533 25.329 ( 0.000 -2.201 0.000) 2.201 25.329 ( 0.000 2.201 0.000) 2.201 25.596 ( 0.000 -1.394 0.000) 1.394 25.596 ( 0.000 1.394 0.000) 1.394 26.060 ( 0.000 -4.295 0.000) 4.295 26.060 ( 0.000 4.295 0.000) 4.295 26.083 ( 0.000 -2.447 0.000) 2.447 26.083 ( 0.000 2.447 0.000) 2.447 26.175 ( 0.000 -0.139 0.000) 0.139 26.175 ( 0.000 0.139 0.000) 0.139 26.261 ( 0.000 -1.653 0.000) 1.653 26.261 ( 0.000 1.653 0.000) 1.653 26.400 ( 0.000 -1.617 0.000) 1.617 26.400 ( 0.000 1.617 0.000) 1.617 27.496 ( 0.000 -6.517 0.000) 6.517 27.496 ( 0.000 6.517 0.000) 6.517 27.510 ( 0.000 -5.650 0.000) 5.650 27.510 ( 0.000 5.650 0.000) 5.650 28.514 ( 0.000 -1.401 0.000) 1.401 28.514 ( 0.000 1.401 0.000) 1.401 28.811 ( 0.000 -9.550 0.000) 9.550 28.811 ( 0.000 9.550 0.000) 9.550 ======================= Grid point 22 (14/30) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 6.967 -0.255 0.000) 6.971 2.946 ( 6.967 0.255 0.000) 6.971 3.247 ( -1.823 -3.350 0.000) 3.814 3.247 ( -1.823 3.350 0.000) 3.814 3.493 ( 3.553 -14.737 0.000) 15.159 3.493 ( 3.553 14.737 0.000) 15.159 3.664 ( -1.863 -3.406 0.000) 3.882 3.664 ( -1.863 3.406 0.000) 3.882 3.825 ( 0.865 -2.124 0.000) 2.293 3.825 ( 0.865 2.124 0.000) 2.293 4.017 ( 3.996 -3.082 0.000) 5.047 4.017 ( 3.996 3.082 0.000) 5.047 4.091 ( 4.827 -0.789 0.000) 4.891 4.091 ( 4.827 0.789 0.000) 4.891 4.108 ( 2.248 -0.332 0.000) 2.273 4.108 ( 2.248 0.332 0.000) 2.273 4.290 ( 0.891 -4.737 0.000) 4.820 4.290 ( 0.891 4.737 0.000) 4.820 4.474 ( 4.130 -0.665 0.000) 4.184 4.474 ( 4.130 0.665 0.000) 4.184 4.674 ( -0.900 -1.291 0.000) 1.574 4.674 ( -0.900 1.291 0.000) 1.574 4.740 ( -1.237 -3.587 0.000) 3.794 4.740 ( -1.237 3.587 0.000) 3.794 5.023 ( -6.400 -3.179 0.000) 7.146 5.023 ( -6.400 3.179 0.000) 7.146 5.131 ( -8.185 -2.733 0.000) 8.630 5.131 ( -8.185 2.733 0.000) 8.630 5.309 ( 0.213 -5.537 0.000) 5.541 5.309 ( 0.213 5.537 0.000) 5.541 5.383 ( 2.400 -3.241 0.000) 4.033 5.383 ( 2.400 3.241 0.000) 4.033 5.550 ( -0.080 -7.493 0.000) 7.493 5.550 ( -0.080 7.493 0.000) 7.493 5.758 ( -3.580 -3.358 0.000) 4.909 5.758 ( -3.580 3.358 0.000) 4.909 5.844 ( -3.317 -7.155 0.000) 7.886 5.844 ( -3.317 7.155 0.000) 7.886 6.003 ( 2.404 -5.042 0.000) 5.586 6.003 ( 2.404 5.042 0.000) 5.586 6.083 ( -1.795 -2.173 0.000) 2.819 6.083 ( -1.795 2.173 0.000) 2.819 6.154 ( 6.343 -5.158 0.000) 8.175 6.154 ( 6.343 5.158 0.000) 8.175 6.317 ( -6.273 -0.917 0.000) 6.340 6.317 ( -6.273 0.917 0.000) 6.340 6.408 ( -1.274 -13.494 0.000) 13.554 6.408 ( -1.274 13.494 0.000) 13.554 6.496 ( -0.372 -7.931 0.000) 7.939 6.496 ( -0.372 7.931 0.000) 7.939 6.675 ( 4.465 -13.082 0.000) 13.823 6.675 ( 4.465 13.082 0.000) 13.823 6.744 ( 4.831 -2.112 0.000) 5.272 6.744 ( 4.831 2.112 0.000) 5.272 6.832 ( 4.247 -0.033 0.000) 4.247 6.832 ( 4.247 0.033 0.000) 4.247 6.881 ( 4.086 -16.625 0.000) 17.120 6.881 ( 4.086 16.625 0.000) 17.120 6.928 ( 3.918 -11.155 0.000) 11.823 6.928 ( 3.918 11.155 0.000) 11.823 7.274 ( 15.503 -12.055 0.000) 19.638 7.274 ( 15.503 12.055 0.000) 19.638 7.363 ( 0.991 -2.272 0.000) 2.479 7.363 ( 0.991 2.272 0.000) 2.479 7.440 ( -2.580 -4.661 0.000) 5.328 7.440 ( -2.580 4.661 0.000) 5.328 7.566 ( 0.170 -3.668 0.000) 3.671 7.566 ( 0.170 3.668 0.000) 3.671 7.880 ( -3.022 -0.782 0.000) 3.122 7.880 ( -3.022 0.782 0.000) 3.122 7.987 ( -3.022 -0.027 0.000) 3.022 7.987 ( -3.022 0.027 0.000) 3.022 8.052 ( 2.319 -5.324 0.000) 5.807 8.052 ( 2.319 5.324 0.000) 5.807 8.272 ( 2.438 -5.294 0.000) 5.828 8.272 ( 2.438 5.294 0.000) 5.828 8.371 ( -0.347 -1.530 0.000) 1.568 8.371 ( -0.347 1.530 0.000) 1.568 8.408 ( -1.115 -1.301 0.000) 1.714 8.408 ( -1.115 1.301 0.000) 1.714 8.487 ( -7.040 -4.995 0.000) 8.632 8.487 ( -7.040 4.995 0.000) 8.632 8.550 ( -3.876 -0.578 0.000) 3.919 8.550 ( -3.876 0.578 0.000) 3.919 8.623 ( -9.669 -5.708 0.000) 11.228 8.623 ( -9.669 5.708 0.000) 11.228 8.738 ( -5.310 -3.697 0.000) 6.471 8.738 ( -5.310 3.697 0.000) 6.471 8.933 ( -7.330 -0.473 0.000) 7.345 8.933 ( -7.330 0.473 0.000) 7.345 9.194 ( 1.722 -0.138 0.000) 1.728 9.194 ( 1.722 0.138 0.000) 1.728 9.304 ( -5.799 -11.087 0.000) 12.512 9.304 ( -5.799 11.087 0.000) 12.512 9.376 ( 12.190 -24.189 0.000) 27.087 9.376 ( 12.190 24.189 0.000) 27.087 9.553 ( -3.109 -15.456 0.000) 15.766 9.553 ( -3.109 15.456 0.000) 15.766 9.802 ( 8.287 -6.231 0.000) 10.368 9.802 ( 8.287 6.231 0.000) 10.368 10.038 ( 12.732 -0.717 0.000) 12.753 10.038 ( 12.732 0.717 0.000) 12.753 10.151 ( 2.436 -1.416 0.000) 2.817 10.151 ( 2.436 1.416 0.000) 2.817 10.335 ( -1.392 -3.036 0.000) 3.340 10.335 ( -1.392 3.036 0.000) 3.340 10.730 ( -7.477 -0.348 0.000) 7.485 10.730 ( -7.477 0.348 0.000) 7.485 11.044 ( -0.897 -27.254 0.000) 27.269 11.044 ( -0.897 27.254 0.000) 27.269 11.131 ( 1.322 -3.301 0.000) 3.556 11.131 ( 1.322 3.301 0.000) 3.556 11.430 ( -17.541 -17.754 0.000) 24.958 11.430 ( -17.541 17.754 0.000) 24.958 11.722 ( -4.026 -9.353 0.000) 10.183 11.722 ( -4.026 9.353 0.000) 10.183 11.899 ( -4.465 -2.002 0.000) 4.893 11.899 ( -4.465 2.002 0.000) 4.893 12.087 ( -10.145 -1.881 0.000) 10.318 12.087 ( -10.145 1.881 0.000) 10.318 12.393 ( 1.691 -1.015 0.000) 1.972 12.393 ( 1.691 1.015 0.000) 1.972 12.446 ( 3.883 -1.494 0.000) 4.160 12.446 ( 3.883 1.494 0.000) 4.160 12.818 ( -2.956 -5.589 0.000) 6.323 12.818 ( -2.956 5.589 0.000) 6.323 13.139 ( 5.306 -0.796 0.000) 5.365 13.139 ( 5.306 0.796 0.000) 5.365 13.167 ( 2.408 -0.335 0.000) 2.431 13.167 ( 2.408 0.335 0.000) 2.431 13.309 ( -3.419 -2.900 0.000) 4.484 13.309 ( -3.419 2.900 0.000) 4.484 13.337 ( -4.920 -2.253 0.000) 5.411 13.337 ( -4.920 2.253 0.000) 5.411 13.640 ( -4.597 -1.475 0.000) 4.828 13.640 ( -4.597 1.475 0.000) 4.828 14.183 ( -2.014 -3.041 0.000) 3.647 14.183 ( -2.014 3.041 0.000) 3.647 14.511 ( 18.358 -19.166 0.000) 26.539 14.511 ( 18.358 19.166 0.000) 26.539 14.991 ( 24.881 -15.392 0.000) 29.257 14.991 ( 24.881 15.392 0.000) 29.257 15.338 ( -0.232 -3.327 0.000) 3.335 15.338 ( -0.232 3.327 0.000) 3.335 15.569 ( 3.827 -0.444 0.000) 3.852 15.569 ( 3.827 0.444 0.000) 3.852 16.147 ( -2.224 -7.950 0.000) 8.255 16.147 ( -2.224 7.950 0.000) 8.255 16.426 ( -2.863 -1.295 0.000) 3.142 16.426 ( -2.863 1.295 0.000) 3.142 16.496 ( -0.718 -0.090 0.000) 0.724 16.496 ( -0.718 0.090 0.000) 0.724 16.961 ( -8.492 -3.868 0.000) 9.331 16.961 ( -8.492 3.868 0.000) 9.331 17.158 ( -0.707 -0.178 0.000) 0.729 17.158 ( -0.707 0.178 0.000) 0.729 17.573 ( 1.229 -0.508 0.000) 1.330 17.573 ( 1.229 0.508 0.000) 1.330 17.846 ( -4.809 -0.949 0.000) 4.901 17.846 ( -4.809 0.949 0.000) 4.901 18.113 ( 1.453 -1.930 0.000) 2.416 18.113 ( 1.453 1.930 0.000) 2.416 18.474 ( 1.597 -7.906 0.000) 8.066 18.474 ( 1.597 7.906 0.000) 8.066 19.059 ( -0.261 -1.948 0.000) 1.965 19.059 ( -0.261 1.948 0.000) 1.965 19.473 ( 2.715 -9.164 0.000) 9.558 19.473 ( 2.715 9.164 0.000) 9.558 20.254 ( -1.280 -6.110 0.000) 6.243 20.254 ( -1.280 6.110 0.000) 6.243 20.391 ( -0.153 -9.629 0.000) 9.630 20.391 ( -0.153 9.629 0.000) 9.630 23.508 ( 0.505 -0.007 0.000) 0.505 23.508 ( 0.505 0.007 0.000) 0.505 23.547 ( 0.417 -0.265 0.000) 0.494 23.547 ( 0.417 0.265 0.000) 0.494 23.555 ( 0.323 -7.698 0.000) 7.705 23.555 ( 0.323 7.698 0.000) 7.705 23.657 ( 2.171 -7.408 0.000) 7.719 23.657 ( 2.171 7.408 0.000) 7.719 24.601 ( 0.065 -0.417 0.000) 0.422 24.601 ( 0.065 0.417 0.000) 0.422 25.324 ( -0.390 -1.604 0.000) 1.650 25.324 ( -0.390 1.604 0.000) 1.650 25.594 ( -0.214 -0.944 0.000) 0.968 25.594 ( -0.214 0.944 0.000) 0.968 25.977 ( -4.870 -3.888 0.000) 6.231 25.977 ( -4.870 3.888 0.000) 6.231 26.038 ( -1.208 -0.007 0.000) 1.208 26.038 ( -1.208 0.007 0.000) 1.208 26.281 ( 6.414 -0.012 0.000) 6.414 26.281 ( 6.414 0.012 0.000) 6.414 26.395 ( 7.931 -0.642 0.000) 7.957 26.395 ( 7.931 0.642 0.000) 7.957 26.448 ( 5.277 -0.021 0.000) 5.277 26.448 ( 5.277 0.021 0.000) 5.277 27.414 ( -5.953 -0.304 0.000) 5.961 27.414 ( -5.953 0.304 0.000) 5.961 27.490 ( -2.612 -1.954 0.000) 3.263 27.490 ( -2.612 1.954 0.000) 3.263 28.465 ( -4.039 -1.051 0.000) 4.173 28.465 ( -4.039 1.051 0.000) 4.173 28.720 ( -7.221 -6.657 0.000) 9.821 28.720 ( -7.221 6.657 0.000) 9.821 ======================= Grid point 24 (15/30) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.102 ( 5.948 -1.152 0.000) 6.059 3.102 ( 5.948 1.152 0.000) 6.059 3.197 ( -2.588 -3.333 0.000) 4.220 3.197 ( -2.588 3.333 0.000) 4.220 3.510 ( -1.581 -0.485 0.000) 1.654 3.510 ( -1.581 0.485 0.000) 1.654 3.709 ( 5.476 -0.441 0.000) 5.494 3.709 ( 5.476 0.441 0.000) 5.494 3.837 ( -0.950 -0.051 0.000) 0.951 3.837 ( -0.950 0.051 0.000) 0.951 3.999 ( -3.434 -4.150 0.000) 5.386 3.999 ( -3.434 4.150 0.000) 5.386 4.100 ( 0.745 -3.561 0.000) 3.638 4.100 ( 0.745 3.561 0.000) 3.638 4.239 ( 5.370 -6.405 0.000) 8.358 4.239 ( 5.370 6.405 0.000) 8.358 4.347 ( -0.402 -0.921 0.000) 1.005 4.347 ( -0.402 0.921 0.000) 1.005 4.537 ( 0.592 -4.529 0.000) 4.567 4.537 ( 0.592 4.529 0.000) 4.567 4.730 ( 4.956 -4.925 0.000) 6.987 4.730 ( 4.956 4.925 0.000) 6.987 4.752 ( 2.379 -7.870 0.000) 8.222 4.752 ( 2.379 7.870 0.000) 8.222 4.904 ( -2.197 -0.756 0.000) 2.324 4.904 ( -2.197 0.756 0.000) 2.324 4.989 ( -3.697 -0.183 0.000) 3.702 4.989 ( -3.697 0.183 0.000) 3.702 5.346 ( 1.322 -4.032 0.000) 4.244 5.346 ( 1.322 4.033 0.000) 4.244 5.375 ( -2.636 -1.826 0.000) 3.207 5.375 ( -2.636 1.826 0.000) 3.207 5.552 ( 0.720 -6.228 0.000) 6.270 5.552 ( 0.720 6.228 0.000) 6.270 5.675 ( -5.112 -0.736 0.000) 5.164 5.675 ( -5.112 0.736 0.000) 5.164 5.834 ( 2.114 -2.797 0.000) 3.506 5.834 ( 2.114 2.797 0.000) 3.506 5.931 ( -1.514 -0.455 0.000) 1.581 5.931 ( -1.514 0.455 0.000) 1.581 6.071 ( -1.570 -3.147 0.000) 3.517 6.071 ( -1.570 3.147 0.000) 3.517 6.182 ( -3.235 -0.194 0.000) 3.241 6.182 ( -3.235 0.194 0.000) 3.241 6.263 ( 1.186 -5.066 0.000) 5.203 6.263 ( 1.186 5.066 0.000) 5.203 6.312 ( -4.219 -7.622 0.000) 8.712 6.312 ( -4.219 7.622 0.000) 8.712 6.620 ( 7.028 -3.126 0.000) 7.692 6.620 ( 7.028 3.126 0.000) 7.692 6.780 ( 4.036 -0.026 0.000) 4.036 6.780 ( 4.036 0.026 0.000) 4.036 6.872 ( -2.138 -9.452 0.000) 9.691 6.872 ( -2.138 9.452 0.000) 9.691 6.908 ( 5.817 -5.846 0.000) 8.247 6.908 ( 5.817 5.846 0.000) 8.247 6.969 ( 5.023 -11.051 0.000) 12.139 6.969 ( 5.023 11.051 0.000) 12.139 7.021 ( 5.988 -4.760 0.000) 7.650 7.021 ( 5.988 4.760 0.000) 7.650 7.326 ( -7.809 -4.878 0.000) 9.207 7.326 ( -7.809 4.878 0.000) 9.207 7.408 ( 1.525 -0.591 0.000) 1.636 7.408 ( 1.525 0.591 0.000) 1.636 7.510 ( -2.252 -0.186 0.000) 2.260 7.510 ( -2.252 0.186 0.000) 2.260 7.541 ( 3.213 -2.106 0.000) 3.841 7.541 ( 3.213 2.106 0.000) 3.841 7.886 ( 7.558 -2.417 0.000) 7.935 7.886 ( 7.558 2.417 0.000) 7.935 7.919 ( -0.492 -6.643 0.000) 6.662 7.919 ( -0.492 6.643 0.000) 6.662 8.086 ( -3.386 -6.299 0.000) 7.151 8.086 ( -3.386 6.299 0.000) 7.151 8.168 ( -9.865 -2.499 0.000) 10.177 8.168 ( -9.865 2.499 0.000) 10.177 8.256 ( -6.475 -0.242 0.000) 6.479 8.256 ( -6.475 0.242 0.000) 6.479 8.393 ( 3.010 -0.515 0.000) 3.054 8.393 ( 3.010 0.515 0.000) 3.054 8.420 ( 1.473 -1.576 0.000) 2.157 8.420 ( 1.473 1.576 0.000) 2.157 8.498 ( -0.167 -0.292 0.000) 0.336 8.498 ( -0.167 0.292 0.000) 0.336 8.605 ( 1.301 -8.263 0.000) 8.365 8.605 ( 1.301 8.263 0.000) 8.365 8.688 ( -4.271 -0.712 0.000) 4.330 8.688 ( -4.271 0.712 0.000) 4.330 8.845 ( 3.976 -3.463 0.000) 5.273 8.845 ( 3.976 3.463 0.000) 5.273 9.133 ( -7.782 -6.597 0.000) 10.202 9.133 ( -7.782 6.597 0.000) 10.202 9.246 ( 1.790 -0.994 0.000) 2.047 9.246 ( 1.790 0.994 0.000) 2.047 9.465 ( -0.662 -9.712 0.000) 9.734 9.465 ( -0.662 9.712 0.000) 9.734 9.661 ( 8.059 -15.660 0.000) 17.612 9.661 ( 8.059 15.660 0.000) 17.612 9.959 ( 5.288 -4.750 0.000) 7.108 9.959 ( 5.288 4.750 0.000) 7.108 10.063 ( -4.244 -1.336 0.000) 4.449 10.063 ( -4.244 1.336 0.000) 4.449 10.337 ( 8.048 -1.256 0.000) 8.145 10.337 ( 8.048 1.256 0.000) 8.145 10.409 ( 4.511 -0.681 0.000) 4.562 10.409 ( 4.511 0.681 0.000) 4.562 10.569 ( -3.794 -2.604 0.000) 4.601 10.569 ( -3.794 2.604 0.000) 4.601 11.007 ( -11.553 -16.432 0.000) 20.087 11.007 ( -11.553 16.433 0.000) 20.087 11.023 ( -5.698 -20.748 0.000) 21.517 11.023 ( -5.698 20.748 0.000) 21.517 11.111 ( -2.846 -11.508 0.000) 11.854 11.111 ( -2.846 11.508 0.000) 11.854 11.526 ( -9.611 -3.468 0.000) 10.218 11.526 ( -9.611 3.468 0.000) 10.218 11.777 ( -1.048 -0.123 0.000) 1.055 11.777 ( -1.048 0.123 0.000) 1.055 12.055 ( 1.011 -0.001 0.000) 1.011 12.055 ( 1.011 0.001 0.000) 1.011 12.386 ( -0.663 -1.545 0.000) 1.681 12.386 ( -0.663 1.545 0.000) 1.681 12.536 ( 2.500 -0.494 0.000) 2.549 12.536 ( 2.500 0.494 0.000) 2.549 12.777 ( -0.760 -1.276 0.000) 1.485 12.777 ( -0.760 1.276 0.000) 1.485 13.167 ( -0.453 -0.397 0.000) 0.602 13.167 ( -0.453 0.397 0.000) 0.602 13.207 ( 0.960 -0.548 0.000) 1.106 13.207 ( 0.960 0.548 0.000) 1.106 13.246 ( -1.271 -0.419 0.000) 1.338 13.246 ( -1.271 0.419 0.000) 1.338 13.381 ( 3.902 -2.393 0.000) 4.577 13.381 ( 3.902 2.393 0.000) 4.577 13.570 ( -1.926 -1.832 0.000) 2.659 13.570 ( -1.926 1.832 0.000) 2.659 14.171 ( 0.211 -0.036 0.000) 0.215 14.171 ( 0.211 0.036 0.000) 0.215 14.836 ( 8.765 -6.964 0.000) 11.195 14.836 ( 8.765 6.964 0.000) 11.195 15.326 ( 0.762 -0.138 0.000) 0.774 15.326 ( 0.762 0.138 0.000) 0.774 15.380 ( 6.036 -2.143 0.000) 6.405 15.380 ( 6.036 2.143 0.000) 6.405 15.761 ( 13.929 -9.525 0.000) 16.874 15.761 ( 13.929 9.525 0.000) 16.874 16.076 ( -5.157 -8.921 0.000) 10.304 16.076 ( -5.157 8.921 0.000) 10.304 16.343 ( -3.885 -1.358 0.000) 4.115 16.343 ( -3.885 1.358 0.000) 4.115 16.474 ( -0.934 -0.036 0.000) 0.935 16.474 ( -0.934 0.036 0.000) 0.935 16.777 ( -6.079 -2.603 0.000) 6.612 16.777 ( -6.079 2.603 0.000) 6.612 17.133 ( -0.869 -0.010 0.000) 0.869 17.133 ( -0.869 0.010 0.000) 0.869 17.616 ( 2.325 -0.395 0.000) 2.359 17.616 ( 2.325 0.395 0.000) 2.359 17.739 ( -4.106 -0.109 0.000) 4.108 17.739 ( -4.106 0.109 0.000) 4.108 18.138 ( 0.651 -0.444 0.000) 0.788 18.138 ( 0.651 0.444 0.000) 0.788 18.505 ( 0.882 -2.846 0.000) 2.979 18.505 ( 0.882 2.846 0.000) 2.979 19.053 ( -0.165 -0.588 0.000) 0.610 19.053 ( -0.165 0.588 0.000) 0.610 19.527 ( 1.585 -3.441 0.000) 3.788 19.527 ( 1.585 3.441 0.000) 3.788 20.228 ( -0.770 -1.489 0.000) 1.676 20.228 ( -0.770 1.489 0.000) 1.676 20.387 ( -0.091 -2.870 0.000) 2.871 20.387 ( -0.091 2.870 0.000) 2.871 23.520 ( 0.421 -0.310 0.000) 0.522 23.520 ( 0.421 0.310 0.000) 0.522 23.555 ( 0.269 -0.270 0.000) 0.381 23.555 ( 0.269 0.270 0.000) 0.381 23.561 ( 0.137 -3.345 0.000) 3.348 23.561 ( 0.137 3.345 0.000) 3.348 23.699 ( 1.232 -2.550 0.000) 2.832 23.699 ( 1.232 2.550 0.000) 2.832 24.603 ( 0.038 -0.151 0.000) 0.156 24.603 ( 0.038 0.151 0.000) 0.156 25.316 ( -0.275 -0.516 0.000) 0.585 25.316 ( -0.275 0.516 0.000) 0.585 25.589 ( -0.148 -0.364 0.000) 0.393 25.589 ( -0.148 0.364 0.000) 0.393 25.903 ( -1.744 -1.364 0.000) 2.214 25.903 ( -1.744 1.364 0.000) 2.214 26.030 ( 0.087 -0.003 0.000) 0.087 26.030 ( 0.087 0.003 0.000) 0.087 26.404 ( 3.744 -0.031 0.000) 3.744 26.404 ( 3.744 0.031 0.000) 3.744 26.488 ( 2.153 -0.086 0.000) 2.155 26.488 ( 2.153 0.086 0.000) 2.155 26.622 ( 6.402 -0.786 0.000) 6.450 26.622 ( 6.402 0.786 0.000) 6.450 27.286 ( -4.259 -0.369 0.000) 4.275 27.286 ( -4.259 0.369 0.000) 4.275 27.418 ( -2.858 -1.610 0.000) 3.280 27.418 ( -2.858 1.610 0.000) 3.280 28.376 ( -2.967 -0.370 0.000) 2.989 28.376 ( -2.967 0.370 0.000) 2.989 28.575 ( -4.304 -1.763 0.000) 4.651 28.575 ( -4.304 1.763 0.000) 4.651 ======================= Grid point 45 (16/30) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.000 0.000 43.258) 43.258 1.069 ( 0.000 0.000 48.661) 48.661 1.863 ( 0.000 0.000 -41.426) 41.426 1.937 ( 0.000 0.000 85.853) 85.853 2.084 ( 0.000 0.000 -44.355) 44.355 2.992 ( 0.000 0.000 3.584) 3.584 3.138 ( 0.000 0.000 -7.059) 7.059 3.204 ( 0.000 0.000 3.540) 3.540 3.259 ( 0.000 0.000 2.523) 2.523 3.520 ( 0.000 0.000 20.260) 20.260 3.602 ( 0.000 0.000 14.449) 14.449 3.640 ( 0.000 0.000 -64.475) 64.475 3.782 ( 0.000 0.000 -2.442) 2.442 3.788 ( 0.000 0.000 21.278) 21.278 3.837 ( 0.000 0.000 -3.963) 3.963 3.875 ( 0.000 0.000 -10.135) 10.135 3.893 ( 0.000 0.000 -6.208) 6.208 4.098 ( 0.000 0.000 2.219) 2.219 4.099 ( 0.000 0.000 0.928) 0.928 4.108 ( 0.000 0.000 -9.106) 9.106 4.377 ( 0.000 0.000 3.121) 3.121 4.473 ( 0.000 0.000 -3.870) 3.870 4.533 ( 0.000 0.000 7.642) 7.642 4.589 ( 0.000 0.000 9.825) 9.825 4.752 ( 0.000 0.000 -5.079) 5.079 4.807 ( 0.000 0.000 -15.963) 15.963 4.819 ( 0.000 0.000 1.236) 1.236 4.895 ( 0.000 0.000 -3.316) 3.316 4.896 ( 0.000 0.000 4.012) 4.012 5.014 ( 0.000 0.000 -6.855) 6.855 5.122 ( 0.000 0.000 1.266) 1.266 5.134 ( 0.000 0.000 0.836) 0.836 5.176 ( 0.000 0.000 8.514) 8.514 5.388 ( 0.000 0.000 -8.216) 8.216 5.441 ( 0.000 0.000 0.719) 0.719 5.456 ( 0.000 0.000 -0.807) 0.807 5.545 ( 0.000 0.000 1.189) 1.189 5.593 ( 0.000 0.000 3.922) 3.922 5.604 ( 0.000 0.000 -3.712) 3.712 5.633 ( 0.000 0.000 2.628) 2.628 5.671 ( 0.000 0.000 10.087) 10.087 5.796 ( 0.000 0.000 -0.245) 0.245 5.797 ( 0.000 0.000 -0.571) 0.571 5.916 ( 0.000 0.000 -6.376) 6.376 5.969 ( 0.000 0.000 4.370) 4.370 5.984 ( 0.000 0.000 10.169) 10.169 6.087 ( 0.000 0.000 -8.911) 8.911 6.291 ( 0.000 0.000 -6.689) 6.689 6.299 ( 0.000 0.000 -1.277) 1.277 6.361 ( 0.000 0.000 13.115) 13.115 6.363 ( 0.000 0.000 -7.070) 7.070 6.583 ( 0.000 0.000 -5.863) 5.863 6.631 ( 0.000 0.000 4.693) 4.693 6.674 ( 0.000 0.000 1.405) 1.405 6.703 ( 0.000 0.000 15.091) 15.091 6.949 ( 0.000 0.000 -7.330) 7.330 6.977 ( 0.000 0.000 1.051) 1.051 6.986 ( 0.000 0.000 3.116) 3.116 6.996 ( 0.000 0.000 -0.144) 0.144 7.130 ( 0.000 0.000 7.473) 7.473 7.191 ( 0.000 0.000 -5.271) 5.271 7.297 ( 0.000 0.000 13.669) 13.669 7.302 ( 0.000 0.000 -8.055) 8.055 7.372 ( 0.000 0.000 4.075) 4.075 7.414 ( 0.000 0.000 -2.090) 2.090 7.418 ( 0.000 0.000 3.427) 3.427 7.585 ( 0.000 0.000 -10.137) 10.137 7.714 ( 0.000 0.000 -18.040) 18.040 7.805 ( 0.000 0.000 0.285) 0.285 7.854 ( 0.000 0.000 1.314) 1.314 7.871 ( 0.000 0.000 -6.393) 6.393 7.882 ( 0.000 0.000 -0.965) 0.965 8.059 ( 0.000 0.000 -0.459) 0.459 8.089 ( 0.000 0.000 3.285) 3.285 8.119 ( 0.000 0.000 11.909) 11.909 8.226 ( 0.000 0.000 4.106) 4.106 8.273 ( 0.000 0.000 0.745) 0.745 8.334 ( 0.000 0.000 5.679) 5.679 8.401 ( 0.000 0.000 -6.418) 6.418 8.471 ( 0.000 0.000 -4.832) 4.832 8.547 ( 0.000 0.000 -4.190) 4.190 8.572 ( 0.000 0.000 -0.699) 0.699 8.630 ( 0.000 0.000 1.456) 1.456 8.686 ( 0.000 0.000 -7.485) 7.485 8.727 ( 0.000 0.000 1.750) 1.750 8.807 ( 0.000 0.000 4.674) 4.674 8.874 ( 0.000 0.000 -10.860) 10.860 8.962 ( 0.000 0.000 -8.620) 8.620 9.026 ( 0.000 0.000 5.865) 5.865 9.048 ( 0.000 0.000 1.241) 1.241 9.159 ( 0.000 0.000 -5.237) 5.237 9.163 ( 0.000 0.000 -6.763) 6.763 9.372 ( 0.000 0.000 16.325) 16.325 9.465 ( 0.000 0.000 9.170) 9.170 9.583 ( 0.000 0.000 -4.354) 4.354 9.604 ( 0.000 0.000 -4.572) 4.572 9.759 ( 0.000 0.000 9.639) 9.639 9.839 ( 0.000 0.000 1.501) 1.501 9.907 ( 0.000 0.000 -1.792) 1.792 9.947 ( 0.000 0.000 -2.347) 2.347 10.032 ( 0.000 0.000 -0.159) 0.159 10.079 ( 0.000 0.000 0.163) 0.163 10.103 ( 0.000 0.000 -0.334) 0.334 10.110 ( 0.000 0.000 -4.912) 4.912 10.385 ( 0.000 0.000 8.693) 8.693 10.674 ( 0.000 0.000 -11.834) 11.834 11.041 ( 0.000 0.000 1.105) 1.105 11.066 ( 0.000 0.000 14.321) 14.321 11.147 ( 0.000 0.000 -0.050) 0.050 11.176 ( 0.000 0.000 -3.472) 3.472 11.202 ( 0.000 0.000 22.731) 22.731 11.508 ( 0.000 0.000 -0.862) 0.862 11.510 ( 0.000 0.000 1.429) 1.429 11.679 ( 0.000 0.000 10.242) 10.242 11.812 ( 0.000 0.000 16.855) 16.855 11.820 ( 0.000 0.000 -4.479) 4.479 11.967 ( 0.000 0.000 -18.364) 18.364 12.010 ( 0.000 0.000 4.203) 4.203 12.030 ( 0.000 0.000 2.052) 2.052 12.210 ( 0.000 0.000 1.316) 1.316 12.317 ( 0.000 0.000 -24.982) 24.982 12.399 ( 0.000 0.000 -23.561) 23.561 12.425 ( 0.000 0.000 5.756) 5.756 12.595 ( 0.000 0.000 -9.989) 9.989 12.901 ( 0.000 0.000 2.049) 2.049 12.960 ( 0.000 0.000 -2.871) 2.871 13.001 ( 0.000 0.000 -1.392) 1.392 13.026 ( 0.000 0.000 0.063) 0.063 13.094 ( 0.000 0.000 4.729) 4.729 13.154 ( 0.000 0.000 -1.256) 1.256 13.191 ( 0.000 0.000 4.003) 4.003 13.232 ( 0.000 0.000 -0.235) 0.235 13.379 ( 0.000 0.000 3.975) 3.975 13.533 ( 0.000 0.000 -7.113) 7.113 14.238 ( 0.000 0.000 24.190) 24.190 14.325 ( 0.000 0.000 9.206) 9.206 14.491 ( 0.000 0.000 -5.296) 5.296 14.703 ( 0.000 0.000 -16.464) 16.464 14.730 ( 0.000 0.000 25.079) 25.079 15.103 ( 0.000 0.000 3.189) 3.189 15.196 ( 0.000 0.000 -4.777) 4.777 15.330 ( 0.000 0.000 -26.964) 26.964 15.573 ( 0.000 0.000 13.658) 13.658 15.944 ( 0.000 0.000 -18.883) 18.883 16.012 ( 0.000 0.000 2.733) 2.733 16.070 ( 0.000 0.000 2.145) 2.145 16.077 ( 0.000 0.000 -2.507) 2.507 16.168 ( 0.000 0.000 -7.664) 7.664 16.421 ( 0.000 0.000 4.241) 4.241 16.481 ( 0.000 0.000 -1.031) 1.031 16.748 ( 0.000 0.000 13.223) 13.223 16.987 ( 0.000 0.000 -7.914) 7.914 17.021 ( 0.000 0.000 12.045) 12.045 17.084 ( 0.000 0.000 18.462) 18.462 17.182 ( 0.000 0.000 7.172) 7.172 17.221 ( 0.000 0.000 -6.135) 6.135 17.415 ( 0.000 0.000 -12.482) 12.482 17.460 ( 0.000 0.000 -13.468) 13.468 17.623 ( 0.000 0.000 2.462) 2.462 17.714 ( 0.000 0.000 -5.780) 5.780 17.982 ( 0.000 0.000 9.781) 9.781 18.122 ( 0.000 0.000 -3.121) 3.121 18.372 ( 0.000 0.000 15.750) 15.750 18.797 ( 0.000 0.000 -22.810) 22.810 18.998 ( 0.000 0.000 1.103) 1.103 19.027 ( 0.000 0.000 -1.324) 1.324 19.776 ( 0.000 0.000 0.350) 0.350 19.785 ( 0.000 0.000 -0.369) 0.369 19.844 ( 0.000 0.000 22.155) 22.155 20.250 ( 0.000 0.000 -14.290) 14.290 21.775 ( 0.000 0.000 4.186) 4.186 21.864 ( 0.000 0.000 -3.382) 3.382 23.040 ( 0.000 0.000 1.559) 1.559 23.078 ( 0.000 0.000 -1.572) 1.572 23.530 ( 0.000 0.000 0.693) 0.693 23.547 ( 0.000 0.000 -0.690) 0.690 23.563 ( 0.000 0.000 0.052) 0.052 23.572 ( 0.000 0.000 -0.803) 0.803 23.985 ( 0.000 0.000 1.759) 1.759 24.026 ( 0.000 0.000 -1.665) 1.665 24.748 ( 0.000 0.000 12.747) 12.747 25.077 ( 0.000 0.000 -15.906) 15.906 25.581 ( 0.000 0.000 0.083) 0.083 25.583 ( 0.000 0.000 -0.077) 0.077 25.618 ( 0.000 0.000 0.008) 0.008 25.618 ( 0.000 0.000 -0.005) 0.005 25.628 ( 0.000 0.000 4.844) 4.844 25.701 ( 0.000 0.000 -2.179) 2.179 25.919 ( 0.000 0.000 2.119) 2.119 25.953 ( 0.000 0.000 -0.965) 0.965 26.031 ( 0.000 0.000 2.947) 2.947 26.104 ( 0.000 0.000 -2.967) 2.967 26.118 ( 0.000 0.000 2.044) 2.044 26.173 ( 0.000 0.000 -2.564) 2.564 26.419 ( 0.000 0.000 2.230) 2.230 26.478 ( 0.000 0.000 -2.974) 2.974 26.714 ( 0.000 0.000 4.791) 4.791 26.812 ( 0.000 0.000 -3.729) 3.729 26.880 ( 0.000 0.000 2.130) 2.130 26.929 ( 0.000 0.000 -1.997) 1.997 27.754 ( 0.000 0.000 0.519) 0.519 27.764 ( 0.000 0.000 -0.395) 0.395 28.032 ( 0.000 0.000 0.261) 0.261 28.037 ( 0.000 0.000 -0.190) 0.190 ======================= Grid point 46 (17/30) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 29.985 0.000 33.564) 45.007 1.628 ( 35.925 0.000 34.749) 49.981 2.246 ( 15.394 0.000 -36.316) 39.444 2.333 ( 32.947 0.000 -32.177) 46.053 2.450 ( 48.073 0.000 56.964) 74.538 2.988 ( -0.784 0.000 3.795) 3.876 3.087 ( -5.053 0.000 -3.224) 5.994 3.326 ( 0.980 0.000 1.412) 1.719 3.334 ( 5.969 0.000 -0.559) 5.995 3.568 ( 1.263 0.000 3.233) 3.471 3.657 ( -12.494 0.000 -3.162) 12.888 3.696 ( 15.022 0.000 3.343) 15.390 3.751 ( -2.464 0.000 18.235) 18.401 3.856 ( 16.033 0.000 -38.526) 41.729 3.858 ( 5.422 0.000 2.326) 5.900 3.969 ( 5.104 0.000 -6.419) 8.201 4.005 ( 5.623 0.000 1.422) 5.800 4.055 ( -3.726 0.000 -1.083) 3.880 4.069 ( -1.479 0.000 -8.879) 9.001 4.149 ( 0.090 0.000 -4.160) 4.161 4.322 ( -2.746 0.000 4.665) 5.413 4.387 ( -9.241 0.000 3.875) 10.021 4.483 ( -0.521 0.000 -2.095) 2.159 4.566 ( -8.913 0.000 -5.864) 10.669 4.585 ( -0.791 0.000 9.935) 9.967 4.811 ( -3.415 0.000 -2.207) 4.066 4.870 ( 2.248 0.000 -12.491) 12.692 4.873 ( 11.578 0.000 -5.757) 12.930 5.049 ( -3.519 0.000 5.584) 6.600 5.116 ( 2.131 0.000 -0.483) 2.185 5.137 ( -0.163 0.000 3.727) 3.730 5.212 ( 11.822 0.000 -1.806) 11.959 5.219 ( 4.980 0.000 1.941) 5.345 5.305 ( -4.659 0.000 -5.729) 7.385 5.318 ( 2.243 0.000 1.157) 2.524 5.411 ( -0.974 0.000 -5.409) 5.496 5.521 ( -4.840 0.000 3.603) 6.033 5.614 ( 1.201 0.000 -0.748) 1.415 5.670 ( 2.957 0.000 -0.196) 2.964 5.734 ( 1.286 0.000 -7.207) 7.321 5.773 ( 9.257 0.000 1.854) 9.441 5.836 ( 9.492 0.000 -4.638) 10.564 5.952 ( 2.598 0.000 4.739) 5.405 5.992 ( 3.131 0.000 7.116) 7.774 6.036 ( 7.217 0.000 0.445) 7.230 6.050 ( 7.285 0.000 8.929) 11.524 6.178 ( 5.846 0.000 -10.193) 11.751 6.261 ( -1.403 0.000 -0.218) 1.420 6.291 ( -2.754 0.000 1.805) 3.293 6.353 ( -1.904 0.000 -3.771) 4.224 6.374 ( 6.210 0.000 -0.932) 6.280 6.433 ( -6.698 0.000 -4.447) 8.040 6.677 ( 4.816 0.000 11.879) 12.818 6.746 ( -10.218 0.000 8.370) 13.209 6.788 ( 0.909 0.000 3.187) 3.314 6.798 ( 1.274 0.000 3.266) 3.505 6.858 ( -8.081 0.000 0.970) 8.139 6.902 ( -2.339 0.000 -4.652) 5.208 7.022 ( 1.649 0.000 4.724) 5.004 7.139 ( -10.292 0.000 2.543) 10.601 7.232 ( -11.699 0.000 -0.179) 11.701 7.263 ( -6.206 0.000 5.325) 8.177 7.267 ( -10.434 0.000 -0.789) 10.464 7.328 ( 2.257 0.000 1.563) 2.746 7.357 ( -7.582 0.000 5.320) 9.262 7.454 ( -5.420 0.000 3.088) 6.238 7.457 ( -11.711 0.000 -6.599) 13.442 7.536 ( 9.458 0.000 3.985) 10.263 7.555 ( -10.641 0.000 -10.252) 14.777 7.598 ( -12.607 0.000 9.584) 15.837 7.718 ( -12.681 0.000 -4.086) 13.323 7.827 ( -2.819 0.000 -11.407) 11.750 7.931 ( -15.510 0.000 3.252) 15.847 7.997 ( -7.680 0.000 2.817) 8.181 8.028 ( -5.442 0.000 -2.671) 6.062 8.050 ( -4.760 0.000 2.131) 5.216 8.078 ( -6.358 0.000 2.304) 6.763 8.147 ( -11.539 0.000 -11.883) 16.563 8.286 ( -7.062 0.000 3.244) 7.771 8.328 ( -12.324 0.000 -1.856) 12.463 8.416 ( 3.461 0.000 5.114) 6.175 8.543 ( 3.722 0.000 -5.114) 6.325 8.618 ( 1.104 0.000 -3.634) 3.798 8.620 ( -0.365 0.000 4.233) 4.249 8.660 ( -1.433 0.000 -2.202) 2.627 8.806 ( 0.875 0.000 -9.249) 9.290 8.962 ( -1.986 0.000 3.977) 4.445 8.996 ( -1.565 0.000 4.013) 4.307 9.014 ( -2.235 0.000 2.006) 3.003 9.057 ( 1.303 0.000 -3.892) 4.104 9.209 ( -7.702 0.000 2.839) 8.209 9.275 ( -5.352 0.000 -2.665) 5.978 9.281 ( -7.718 0.000 5.941) 9.740 9.435 ( -13.383 0.000 -7.466) 15.324 9.559 ( 7.954 0.000 7.300) 10.796 9.674 ( 8.388 0.000 -2.291) 8.695 9.781 ( 13.987 0.000 16.179) 21.387 9.865 ( -1.988 0.000 7.563) 7.820 9.998 ( -5.744 0.000 -5.777) 8.147 10.053 ( 1.288 0.000 4.560) 4.738 10.088 ( 8.571 0.000 0.381) 8.580 10.160 ( 6.561 0.000 -2.785) 7.128 10.299 ( 10.927 0.000 -2.630) 11.240 10.360 ( 10.249 0.000 -7.122) 12.481 10.475 ( 8.986 0.000 -8.614) 12.448 10.576 ( -8.221 0.000 -4.704) 9.472 10.813 ( -7.462 0.000 -8.481) 11.296 10.829 ( -10.282 0.000 -4.828) 11.359 11.156 ( -0.654 0.000 33.901) 33.907 11.302 ( -1.494 0.000 10.371) 10.479 11.472 ( 2.219 0.000 1.560) 2.713 11.486 ( 15.319 0.000 -10.489) 18.566 11.535 ( 4.688 0.000 -6.145) 7.729 11.745 ( 2.972 0.000 9.564) 10.015 11.865 ( 5.289 0.000 7.055) 8.817 11.880 ( -0.475 0.000 -8.243) 8.257 11.893 ( 0.590 0.000 -10.233) 10.250 11.990 ( -0.722 0.000 4.678) 4.734 12.118 ( 2.800 0.000 -9.767) 10.160 12.178 ( -5.849 0.000 -22.017) 22.781 12.385 ( 12.546 0.000 4.952) 13.488 12.589 ( 11.335 0.000 -11.895) 16.431 12.699 ( 19.436 0.000 0.809) 19.453 12.738 ( 10.693 0.000 -7.070) 12.819 12.915 ( 2.423 0.000 1.752) 2.990 12.946 ( 0.303 0.000 0.649) 0.716 13.012 ( 0.824 0.000 -0.715) 1.091 13.036 ( 0.288 0.000 -0.630) 0.692 13.149 ( -1.209 0.000 1.740) 2.119 13.179 ( 6.494 0.000 4.409) 7.849 13.224 ( -0.775 0.000 -4.308) 4.377 13.238 ( 4.575 0.000 0.417) 4.594 13.413 ( 2.673 0.000 3.508) 4.410 13.534 ( -0.088 0.000 -5.539) 5.540 14.015 ( -27.291 0.000 22.093) 35.113 14.260 ( 2.042 0.000 22.925) 23.016 14.298 ( -16.449 0.000 -7.272) 17.985 14.596 ( -12.190 0.000 26.247) 28.939 14.703 ( -0.012 0.000 -15.677) 15.677 14.792 ( -1.103 0.000 28.495) 28.517 14.988 ( -11.675 0.000 -10.727) 15.855 15.401 ( 2.349 0.000 -26.899) 27.002 15.409 ( -11.963 0.000 12.757) 17.488 15.806 ( -10.723 0.000 -20.185) 22.857 16.003 ( -0.688 0.000 3.719) 3.782 16.039 ( -2.085 0.000 4.598) 5.049 16.145 ( 3.686 0.000 -9.205) 9.916 16.186 ( 0.999 0.000 -9.336) 9.389 16.418 ( 3.257 0.000 9.459) 10.004 16.569 ( 9.069 0.000 -4.500) 10.124 16.787 ( 2.792 0.000 13.568) 13.852 16.908 ( -6.251 0.000 14.431) 15.726 16.969 ( 2.043 0.000 -2.381) 3.137 17.107 ( -2.017 0.000 -0.405) 2.057 17.127 ( 0.136 0.000 16.438) 16.438 17.279 ( -0.005 0.000 -2.629) 2.629 17.426 ( 0.360 0.000 -11.327) 11.332 17.452 ( -3.230 0.000 -10.833) 11.304 17.567 ( -4.242 0.000 1.809) 4.611 17.652 ( -4.775 0.000 -5.652) 7.399 18.078 ( 7.304 0.000 11.110) 13.296 18.336 ( 10.942 0.000 -13.356) 17.266 18.352 ( -1.424 0.000 15.005) 15.073 18.750 ( -3.323 0.000 -20.876) 21.139 19.080 ( 6.579 0.000 2.584) 7.068 19.132 ( 9.174 0.000 -1.861) 9.361 19.732 ( -7.510 0.000 15.563) 17.280 19.873 ( 0.897 0.000 -0.892) 1.265 20.162 ( 21.382 0.000 -5.369) 22.046 20.288 ( 8.223 0.000 -10.419) 13.273 21.369 ( -24.602 0.000 17.009) 29.909 21.543 ( -18.044 0.000 -2.143) 18.171 23.216 ( 12.055 0.000 7.207) 14.045 23.470 ( 9.908 0.000 -13.842) 17.023 23.551 ( -0.242 0.000 0.329) 0.408 23.570 ( 0.231 0.000 -1.300) 1.321 23.576 ( 3.440 0.000 1.254) 3.661 23.638 ( 11.952 0.000 -8.775) 14.827 23.950 ( -3.119 0.000 2.647) 4.091 24.015 ( -0.997 0.000 -2.889) 3.057 24.779 ( 2.802 0.000 13.040) 13.338 25.113 ( 3.390 0.000 -15.984) 16.340 25.388 ( -22.196 0.000 22.336) 31.489 25.557 ( -2.352 0.000 -0.291) 2.370 25.583 ( -0.899 0.000 1.018) 1.359 25.597 ( -0.878 0.000 1.013) 1.341 25.607 ( -0.982 0.000 -0.079) 0.985 25.642 ( -2.109 0.000 0.275) 2.127 25.761 ( 2.833 0.000 -0.570) 2.890 25.800 ( -4.889 0.000 -4.116) 6.391 25.999 ( -2.586 0.000 2.608) 3.673 26.057 ( -3.673 0.000 -2.131) 4.246 26.200 ( 5.129 0.000 4.566) 6.867 26.319 ( 5.904 0.000 -5.307) 7.938 26.407 ( -1.010 0.000 3.573) 3.713 26.502 ( 1.072 0.000 -4.305) 4.436 26.788 ( -1.595 0.000 -0.877) 1.820 26.814 ( 2.322 0.000 -4.799) 5.331 26.859 ( -2.072 0.000 2.351) 3.134 26.911 ( -1.806 0.000 -2.116) 2.782 27.769 ( 1.591 0.000 0.517) 1.673 27.780 ( 1.530 0.000 -0.403) 1.582 28.000 ( -2.850 0.000 0.227) 2.859 28.004 ( -2.943 0.000 -0.149) 2.947 ======================= Grid point 47 (18/30) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( 35.076 0.000 18.406) 39.612 2.287 ( 27.369 0.000 32.512) 42.498 2.682 ( 22.347 0.000 -25.012) 33.541 2.801 ( -11.608 0.000 3.301) 12.069 2.814 ( -18.850 0.000 15.344) 24.306 2.946 ( 11.117 0.000 -19.604) 22.537 3.134 ( -15.038 0.000 -7.788) 16.935 3.235 ( -15.702 0.000 -10.594) 18.942 3.490 ( 18.343 0.000 17.800) 25.560 3.591 ( 11.813 0.000 3.548) 12.334 3.633 ( -2.024 0.000 10.610) 10.801 3.840 ( -7.323 0.000 -0.840) 7.371 3.842 ( 19.697 0.000 0.050) 19.697 3.942 ( -0.254 0.000 8.885) 8.888 3.984 ( 3.941 0.000 7.488) 8.462 4.014 ( 2.528 0.000 -7.370) 7.791 4.086 ( 0.141 0.000 -5.792) 5.793 4.091 ( -0.649 0.000 -1.678) 1.800 4.108 ( 2.120 0.000 -6.584) 6.917 4.206 ( -1.497 0.000 -9.489) 9.607 4.332 ( 13.396 0.000 4.250) 14.054 4.455 ( 16.737 0.000 -1.704) 16.824 4.477 ( 0.346 0.000 -0.161) 0.382 4.531 ( 6.171 0.000 -7.710) 9.875 4.586 ( 4.438 0.000 7.248) 8.499 4.773 ( 3.541 0.000 0.415) 3.565 4.920 ( -4.410 0.000 10.252) 11.160 4.984 ( 7.336 0.000 -2.163) 7.648 5.098 ( -6.291 0.000 -0.413) 6.304 5.150 ( 3.996 0.000 -4.464) 5.992 5.183 ( -1.893 0.000 2.154) 2.867 5.244 ( 7.437 0.000 -4.342) 8.612 5.279 ( -3.560 0.000 -5.680) 6.704 5.316 ( -7.754 0.000 -6.338) 10.015 5.345 ( 1.243 0.000 -1.256) 1.767 5.495 ( 3.886 0.000 3.414) 5.173 5.556 ( 6.327 0.000 -9.566) 11.469 5.622 ( -0.757 0.000 -4.281) 4.348 5.679 ( -15.358 0.000 1.239) 15.408 5.746 ( -8.532 0.000 -8.650) 12.149 5.779 ( 8.751 0.000 2.275) 9.041 5.849 ( 3.803 0.000 -3.206) 4.974 5.975 ( 1.392 0.000 4.257) 4.479 6.101 ( 2.134 0.000 -8.653) 8.913 6.117 ( 1.167 0.000 5.044) 5.177 6.190 ( -3.811 0.000 5.275) 6.508 6.208 ( -4.769 0.000 -3.461) 5.893 6.224 ( 5.927 0.000 6.943) 9.128 6.317 ( 5.081 0.000 -4.353) 6.691 6.374 ( 4.107 0.000 -5.888) 7.179 6.454 ( 1.681 0.000 5.373) 5.630 6.489 ( -14.897 0.000 6.835) 16.390 6.518 ( -13.579 0.000 3.333) 13.982 6.535 ( -3.762 0.000 -1.784) 4.163 6.645 ( -10.435 0.000 11.842) 15.784 6.682 ( 1.971 0.000 5.908) 6.229 6.722 ( -0.298 0.000 4.001) 4.012 6.839 ( 5.522 0.000 -6.553) 8.569 6.922 ( -2.772 0.000 10.475) 10.835 6.971 ( -6.917 0.000 1.086) 7.002 7.017 ( -1.072 0.000 -4.410) 4.539 7.069 ( 2.932 0.000 -5.262) 6.024 7.149 ( -12.966 0.000 -1.669) 13.073 7.168 ( -4.773 0.000 -0.206) 4.778 7.287 ( -0.981 0.000 6.427) 6.501 7.392 ( 1.208 0.000 4.149) 4.322 7.456 ( -8.020 0.000 6.869) 10.560 7.484 ( 0.099 0.000 -0.438) 0.449 7.504 ( 6.918 0.000 -8.074) 10.632 7.528 ( -1.585 0.000 0.336) 1.620 7.592 ( -11.520 0.000 -0.176) 11.522 7.721 ( -7.593 0.000 -4.042) 8.602 7.792 ( -8.382 0.000 -10.794) 13.666 7.802 ( 9.122 0.000 -5.460) 10.631 7.902 ( -9.816 0.000 1.740) 9.969 7.921 ( -1.066 0.000 -1.784) 2.078 8.090 ( 11.252 0.000 -1.460) 11.346 8.124 ( 7.081 0.000 -7.423) 10.259 8.249 ( -0.425 0.000 4.295) 4.316 8.276 ( 6.691 0.000 6.637) 9.425 8.455 ( -15.470 0.000 3.089) 15.775 8.485 ( 1.043 0.000 0.109) 1.049 8.501 ( -12.317 0.000 -2.456) 12.560 8.548 ( -5.698 0.000 -6.859) 8.917 8.621 ( 5.181 0.000 0.382) 5.195 8.752 ( 0.104 0.000 -9.054) 9.055 8.863 ( -16.125 0.000 4.511) 16.744 8.896 ( -7.655 0.000 2.035) 7.921 8.971 ( 3.325 0.000 0.810) 3.422 8.988 ( 2.328 0.000 -1.589) 2.819 9.018 ( -2.091 0.000 2.453) 3.223 9.097 ( -7.565 0.000 -5.867) 9.574 9.402 ( 14.303 0.000 3.396) 14.700 9.489 ( 11.332 0.000 -3.563) 11.879 9.683 ( -3.724 0.000 9.582) 10.280 9.743 ( -1.284 0.000 4.785) 4.954 9.774 ( -13.262 0.000 -3.281) 13.662 9.854 ( -4.791 0.000 16.148) 16.844 9.899 ( 10.780 0.000 -6.404) 12.539 10.104 ( -6.707 0.000 -6.222) 9.149 10.196 ( 8.661 0.000 10.764) 13.816 10.295 ( 7.361 0.000 4.350) 8.550 10.375 ( -8.512 0.000 7.550) 11.378 10.455 ( -6.483 0.000 2.908) 7.105 10.527 ( 9.453 0.000 -3.450) 10.063 10.600 ( 10.133 0.000 -8.407) 13.166 10.688 ( -5.256 0.000 -6.499) 8.358 10.748 ( -2.899 0.000 -17.026) 17.271 11.152 ( 0.674 0.000 28.794) 28.802 11.204 ( -4.120 0.000 21.895) 22.279 11.623 ( 8.111 0.000 2.483) 8.482 11.626 ( 4.992 0.000 -13.613) 14.499 11.716 ( -1.147 0.000 -12.693) 12.744 11.751 ( -2.842 0.000 3.849) 4.785 11.841 ( 6.174 0.000 -21.231) 22.111 11.955 ( 2.380 0.000 5.745) 6.219 11.962 ( -0.959 0.000 -9.143) 9.193 11.982 ( -0.444 0.000 4.981) 5.000 12.096 ( -0.792 0.000 -13.321) 13.345 12.124 ( -1.466 0.000 -10.867) 10.965 12.670 ( 11.959 0.000 4.860) 12.909 12.800 ( 6.801 0.000 -2.282) 7.173 12.840 ( -3.076 0.000 2.532) 3.984 12.883 ( -0.095 0.000 -3.090) 3.092 13.020 ( 1.541 0.000 -1.404) 2.085 13.046 ( 5.783 0.000 -3.862) 6.954 13.076 ( -2.654 0.000 1.448) 3.023 13.078 ( 7.825 0.000 12.812) 15.013 13.168 ( -3.170 0.000 -3.800) 4.949 13.263 ( 16.754 0.000 -4.173) 17.266 13.297 ( -2.609 0.000 3.485) 4.353 13.354 ( 4.640 0.000 -0.889) 4.724 13.451 ( 1.688 0.000 5.068) 5.341 13.541 ( 3.350 0.000 -3.005) 4.501 13.557 ( -9.997 0.000 16.763) 19.518 13.870 ( -20.888 0.000 -8.494) 22.549 14.334 ( 4.625 0.000 19.587) 20.125 14.440 ( -4.935 0.000 20.330) 20.920 14.713 ( 1.473 0.000 -13.616) 13.695 14.792 ( -6.127 0.000 -11.573) 13.095 14.862 ( 7.019 0.000 22.948) 23.998 15.104 ( -14.347 0.000 15.494) 21.116 15.448 ( 3.086 0.000 -27.586) 27.758 15.574 ( -8.868 0.000 -24.319) 25.886 15.993 ( 0.005 0.000 5.551) 5.551 16.005 ( -1.034 0.000 5.792) 5.883 16.194 ( 1.059 0.000 -13.076) 13.118 16.200 ( 0.343 0.000 -12.163) 12.168 16.569 ( 8.504 0.000 14.225) 16.573 16.742 ( -7.173 0.000 16.679) 18.156 16.803 ( 10.989 0.000 -6.913) 12.982 16.903 ( 6.208 0.000 13.432) 14.797 17.003 ( -6.363 0.000 -5.305) 8.285 17.056 ( -6.362 0.000 15.542) 16.793 17.081 ( 6.168 0.000 -3.788) 7.238 17.237 ( -5.702 0.000 0.692) 5.744 17.393 ( 0.771 0.000 -6.245) 6.293 17.453 ( 2.785 0.000 -9.379) 9.783 17.466 ( -4.601 0.000 -0.116) 4.603 17.541 ( -4.939 0.000 -6.603) 8.246 18.227 ( 5.490 0.000 12.263) 13.436 18.312 ( -2.552 0.000 13.556) 13.795 18.532 ( 7.305 0.000 -15.232) 16.893 18.662 ( -4.871 0.000 -17.939) 18.588 19.272 ( 10.718 0.000 7.415) 13.033 19.398 ( 14.436 0.000 -4.007) 14.982 19.519 ( -11.312 0.000 12.558) 16.902 19.710 ( -12.910 0.000 -5.256) 13.939 20.572 ( 16.936 0.000 0.492) 16.943 20.637 ( 20.358 0.000 -4.064) 20.760 20.934 ( -17.142 0.000 10.297) 19.997 21.099 ( -21.534 0.000 -4.701) 22.041 23.427 ( 6.494 0.000 5.735) 8.664 23.520 ( -2.588 0.000 1.928) 3.227 23.545 ( 1.495 0.000 -3.815) 4.098 23.566 ( -0.532 0.000 -2.098) 2.165 23.706 ( 7.448 0.000 4.116) 8.510 23.854 ( -5.693 0.000 4.390) 7.189 23.880 ( 7.350 0.000 -12.206) 14.248 23.979 ( -2.570 0.000 -6.428) 6.923 24.871 ( 5.807 0.000 15.112) 16.189 25.045 ( -10.777 0.000 19.982) 22.703 25.227 ( 7.070 0.000 -15.734) 17.250 25.415 ( -9.672 0.000 -12.277) 15.629 25.576 ( 0.129 0.000 0.066) 0.145 25.580 ( -0.562 0.000 0.282) 0.629 25.582 ( -0.770 0.000 -0.319) 0.833 25.587 ( -0.782 0.000 -0.136) 0.793 25.822 ( 4.056 0.000 1.375) 4.282 25.850 ( 4.873 0.000 -0.983) 4.972 25.921 ( -4.466 0.000 2.236) 4.995 25.960 ( -5.014 0.000 -1.290) 5.178 26.307 ( 4.280 0.000 5.546) 7.005 26.375 ( -2.063 0.000 5.274) 5.663 26.441 ( 4.962 0.000 -5.724) 7.576 26.510 ( -1.041 0.000 -5.989) 6.079 26.768 ( 0.175 0.000 1.878) 1.886 26.802 ( -2.625 0.000 2.532) 3.647 26.824 ( 0.219 0.000 -3.053) 3.061 26.857 ( -2.634 0.000 -2.127) 3.386 27.827 ( 3.711 0.000 0.313) 3.724 27.834 ( 3.384 0.000 -0.229) 3.392 27.919 ( -4.180 0.000 0.068) 4.180 27.920 ( -4.450 0.000 0.014) 4.450 ======================= Grid point 50 (19/30) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 0.000 35.040 29.549) 45.836 1.545 ( 0.000 34.315 34.235) 48.472 2.110 ( 0.000 22.246 -36.164) 42.458 2.336 ( 0.000 20.967 -37.087) 42.604 2.538 ( 0.000 51.888 61.036) 80.111 2.999 ( 0.000 0.565 3.362) 3.409 3.139 ( 0.000 1.146 -5.444) 5.563 3.213 ( 0.000 0.994 3.211) 3.361 3.270 ( 0.000 0.852 0.043) 0.853 3.603 ( 0.000 8.114 18.677) 20.364 3.676 ( 0.000 9.473 11.132) 14.617 3.725 ( 0.000 3.715 10.082) 10.745 3.814 ( 0.000 2.112 -2.916) 3.600 3.873 ( 0.000 4.750 0.437) 4.770 4.005 ( 0.000 8.687 -3.273) 9.284 4.018 ( 0.000 15.529 -22.110) 27.018 4.030 ( 0.000 20.798 -34.676) 40.435 4.065 ( 0.000 -1.540 0.551) 1.636 4.083 ( 0.000 -0.717 -1.060) 1.279 4.142 ( 0.000 2.632 -15.026) 15.255 4.464 ( 0.000 5.598 4.667) 7.288 4.561 ( 0.000 3.628 -1.739) 4.023 4.599 ( 0.000 7.238 6.689) 9.856 4.618 ( 0.000 2.073 8.815) 9.056 4.757 ( 0.000 0.205 -4.122) 4.127 4.838 ( 0.000 3.300 -13.450) 13.849 4.864 ( 0.000 3.136 0.721) 3.218 4.888 ( 0.000 -0.615 0.506) 0.796 5.010 ( 0.000 6.128 1.813) 6.391 5.062 ( 0.000 4.160 -3.281) 5.298 5.207 ( 0.000 2.074 6.650) 6.966 5.221 ( 0.000 11.383 4.506) 12.243 5.272 ( 0.000 11.178 1.903) 11.339 5.388 ( 0.000 -0.077 -6.751) 6.752 5.423 ( 0.000 1.141 -3.520) 3.700 5.485 ( 0.000 6.167 -6.542) 8.991 5.545 ( 0.000 -0.127 4.829) 4.831 5.637 ( 0.000 3.129 -3.368) 4.597 5.740 ( 0.000 4.820 0.464) 4.842 5.762 ( 0.000 3.002 1.206) 3.235 5.774 ( 0.000 5.832 0.643) 5.867 5.869 ( 0.000 9.746 4.407) 10.696 5.887 ( 0.000 1.384 -4.146) 4.371 5.948 ( 0.000 19.626 -1.514) 19.684 5.954 ( 0.000 -2.393 1.581) 2.868 6.034 ( 0.000 7.078 11.969) 13.905 6.057 ( 0.000 -2.416 -7.286) 7.676 6.254 ( 0.000 -4.977 1.732) 5.270 6.313 ( 0.000 -0.312 -3.468) 3.482 6.331 ( 0.000 2.068 -3.750) 4.283 6.444 ( 0.000 8.646 7.400) 11.380 6.632 ( 0.000 4.837 -5.717) 7.489 6.636 ( 0.000 -0.992 4.212) 4.328 6.671 ( 0.000 -8.356 11.906) 14.546 6.719 ( 0.000 2.344 -2.488) 3.418 6.773 ( 0.000 -3.447 3.392) 4.836 6.950 ( 0.000 -2.370 2.877) 3.727 6.965 ( 0.000 -0.893 0.813) 1.208 6.986 ( 0.000 0.218 -0.267) 0.345 7.114 ( 0.000 -6.353 -10.085) 11.920 7.173 ( 0.000 -8.879 10.326) 13.619 7.258 ( 0.000 8.740 6.881) 11.124 7.289 ( 0.000 -6.100 -0.817) 6.154 7.333 ( 0.000 9.520 8.421) 12.710 7.422 ( 0.000 -2.640 3.303) 4.229 7.521 ( 0.000 9.897 -1.253) 9.976 7.642 ( 0.000 0.453 -5.234) 5.253 7.663 ( 0.000 -8.696 -15.872) 18.099 7.721 ( 0.000 0.829 4.309) 4.388 7.877 ( 0.000 8.238 -0.264) 8.242 7.899 ( 0.000 3.855 -8.360) 9.206 7.938 ( 0.000 7.434 -4.777) 8.836 7.939 ( 0.000 -8.581 8.147) 11.833 8.101 ( 0.000 -7.296 4.493) 8.569 8.113 ( 0.000 -0.198 10.435) 10.437 8.151 ( 0.000 -1.688 -3.695) 4.063 8.281 ( 0.000 4.108 -4.723) 6.260 8.336 ( 0.000 -1.047 -3.780) 3.923 8.443 ( 0.000 5.277 3.087) 6.114 8.460 ( 0.000 -3.258 -1.000) 3.408 8.496 ( 0.000 -2.811 5.455) 6.137 8.562 ( 0.000 -8.836 -0.666) 8.862 8.568 ( 0.000 -5.953 0.281) 5.960 8.657 ( 0.000 -1.542 -10.688) 10.798 8.678 ( 0.000 -8.970 -4.968) 10.254 8.756 ( 0.000 -2.279 2.466) 3.358 8.822 ( 0.000 -4.122 -10.493) 11.274 8.927 ( 0.000 -4.271 -14.430) 15.049 9.044 ( 0.000 2.824 -2.227) 3.596 9.103 ( 0.000 -3.678 -3.828) 5.308 9.137 ( 0.000 5.608 5.476) 7.839 9.197 ( 0.000 2.090 1.685) 2.685 9.416 ( 0.000 -3.620 0.121) 3.622 9.493 ( 0.000 -8.708 -5.280) 10.184 9.502 ( 0.000 5.497 17.650) 18.486 9.630 ( 0.000 -12.287 6.163) 13.746 9.689 ( 0.000 2.344 -0.076) 2.345 9.760 ( 0.000 -16.656 -3.949) 17.118 9.836 ( 0.000 -1.481 -0.293) 1.510 9.862 ( 0.000 3.565 -1.234) 3.773 10.007 ( 0.000 -2.279 0.092) 2.281 10.065 ( 0.000 -3.822 -3.111) 4.929 10.146 ( 0.000 6.434 -0.356) 6.444 10.158 ( 0.000 4.851 -1.269) 5.014 10.371 ( 0.000 -0.890 12.622) 12.653 10.662 ( 0.000 -2.414 -9.730) 10.025 10.986 ( 0.000 -5.205 2.403) 5.733 11.032 ( 0.000 -10.720 2.509) 11.010 11.062 ( 0.000 -0.731 7.285) 7.322 11.134 ( 0.000 -6.428 -7.131) 9.600 11.215 ( 0.000 0.976 25.701) 25.720 11.613 ( 0.000 11.158 1.471) 11.254 11.688 ( 0.000 11.669 -3.687) 12.238 11.705 ( 0.000 2.044 8.701) 8.938 11.853 ( 0.000 1.546 -4.274) 4.545 11.868 ( 0.000 2.999 12.271) 12.632 11.915 ( 0.000 -3.654 -14.242) 14.703 12.066 ( 0.000 6.110 1.986) 6.425 12.092 ( 0.000 6.403 6.049) 8.809 12.106 ( 0.000 -6.848 3.914) 7.888 12.375 ( 0.000 5.497 -21.297) 21.995 12.391 ( 0.000 -0.221 -28.483) 28.484 12.468 ( 0.000 2.265 4.075) 4.662 12.603 ( 0.000 -0.247 -8.228) 8.232 12.886 ( 0.000 -1.633 2.239) 2.771 12.922 ( 0.000 -7.752 3.148) 8.367 12.953 ( 0.000 -1.426 -3.516) 3.794 13.039 ( 0.000 -0.347 -5.298) 5.309 13.147 ( 0.000 -3.066 1.814) 3.562 13.167 ( 0.000 7.138 4.410) 8.390 13.176 ( 0.000 -5.852 -2.877) 6.521 13.222 ( 0.000 5.436 -1.232) 5.573 13.434 ( 0.000 5.077 6.977) 8.629 13.557 ( 0.000 0.172 -1.624) 1.633 13.853 ( 0.000 -28.092 25.595) 38.004 14.065 ( 0.000 -15.796 23.777) 28.546 14.208 ( 0.000 -17.756 -3.752) 18.148 14.508 ( 0.000 -17.279 -13.139) 21.707 14.717 ( 0.000 -1.524 21.918) 21.971 14.937 ( 0.000 -0.135 29.774) 29.774 15.284 ( 0.000 -4.246 -25.343) 25.696 15.486 ( 0.000 -3.681 3.477) 5.064 15.533 ( 0.000 12.972 -15.148) 19.944 15.721 ( 0.000 -19.080 -17.602) 25.959 15.863 ( 0.000 -16.176 -0.201) 16.177 15.882 ( 0.000 -14.854 -1.596) 14.940 16.013 ( 0.000 -4.938 4.806) 6.891 16.164 ( 0.000 -1.512 -9.135) 9.259 16.287 ( 0.000 -4.759 1.314) 4.937 16.406 ( 0.000 0.473 -7.907) 7.921 16.736 ( 0.000 -1.807 13.819) 13.936 16.884 ( 0.000 -6.766 8.852) 11.142 17.053 ( 0.000 0.176 -2.100) 2.107 17.109 ( 0.000 1.675 13.748) 13.850 17.259 ( 0.000 3.113 2.143) 3.780 17.274 ( 0.000 -5.495 -13.511) 14.586 17.372 ( 0.000 9.615 9.456) 13.486 17.611 ( 0.000 -0.898 2.764) 2.906 17.614 ( 0.000 8.073 -10.891) 13.557 17.720 ( 0.000 0.430 -8.061) 8.073 18.001 ( 0.000 1.736 9.050) 9.215 18.139 ( 0.000 1.521 -3.382) 3.708 18.374 ( 0.000 -0.737 14.112) 14.131 18.761 ( 0.000 -3.498 -21.240) 21.527 19.005 ( 0.000 0.730 1.633) 1.789 19.044 ( 0.000 1.672 -1.644) 2.345 19.761 ( 0.000 -7.592 21.357) 22.666 19.818 ( 0.000 4.000 0.540) 4.036 19.830 ( 0.000 4.316 -0.497) 4.344 20.147 ( 0.000 -9.492 -13.388) 16.412 21.254 ( 0.000 -27.670 21.733) 35.184 21.553 ( 0.000 -23.358 -7.293) 24.470 23.081 ( 0.000 3.892 1.593) 4.205 23.119 ( 0.000 3.935 -1.584) 4.242 23.521 ( 0.000 -0.704 0.746) 1.026 23.539 ( 0.000 -0.518 -0.808) 0.960 23.556 ( 0.000 -0.619 0.154) 0.638 23.567 ( 0.000 -0.432 -0.882) 0.982 23.997 ( 0.000 -0.913 1.008) 1.360 24.027 ( 0.000 -0.754 -1.216) 1.431 24.741 ( 0.000 -0.578 12.499) 12.513 25.018 ( 0.000 -18.691 22.880) 29.544 25.066 ( 0.000 -0.927 -15.796) 15.823 25.420 ( 0.000 -12.873 -13.155) 18.406 25.657 ( 0.000 2.914 6.013) 6.682 25.696 ( 0.000 6.787 1.066) 6.870 25.710 ( 0.000 8.159 -0.326) 8.165 25.756 ( 0.000 5.002 -3.293) 5.988 25.932 ( 0.000 0.954 3.190) 3.330 25.949 ( 0.000 -5.884 1.794) 6.152 25.975 ( 0.000 -1.101 -0.402) 1.173 25.990 ( 0.000 3.113 -1.853) 3.623 26.072 ( 0.000 3.912 1.030) 4.045 26.100 ( 0.000 0.268 -1.197) 1.227 26.321 ( 0.000 1.044 1.628) 1.934 26.395 ( 0.000 -2.394 -4.830) 5.391 26.954 ( 0.000 6.935 1.815) 7.168 26.996 ( 0.000 6.258 -1.698) 6.485 27.283 ( 0.000 20.474 13.750) 24.663 27.605 ( 0.000 7.215 -10.904) 13.075 27.955 ( 0.000 20.433 6.296) 21.381 28.098 ( 0.000 6.457 1.243) 6.575 28.127 ( 0.000 7.866 -1.193) 7.956 28.353 ( 0.000 40.532 -37.973) 55.541 ======================= Grid point 51 (20/30) ======================= q-point: ( 0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 24.598 23.426 27.021) 43.405 1.911 ( 26.499 24.466 31.561) 47.926 2.395 ( 16.913 14.647 -33.797) 40.532 2.553 ( 22.185 17.653 -28.438) 40.156 2.955 ( 34.045 39.341 38.127) 64.502 3.005 ( 0.526 1.813 4.315) 4.710 3.114 ( -1.675 3.963 -0.155) 4.305 3.322 ( 4.321 0.953 2.859) 5.268 3.358 ( 9.319 3.570 0.778) 10.010 3.654 ( -2.882 7.368 3.869) 8.807 3.697 ( -10.411 0.584 5.630) 11.850 3.712 ( 1.819 4.079 11.127) 11.990 3.802 ( 10.509 7.649 12.642) 18.132 3.923 ( 2.978 4.538 1.670) 5.679 3.993 ( -4.072 1.159 -0.878) 4.324 4.008 ( 3.647 3.791 -4.357) 6.830 4.066 ( 2.372 4.778 -6.933) 8.748 4.105 ( 1.296 4.500 -11.637) 12.544 4.147 ( 9.074 17.324 -29.821) 35.661 4.192 ( 4.246 5.867 -12.684) 14.606 4.396 ( -6.166 5.698 4.558) 9.553 4.463 ( -6.183 4.498 0.730) 7.681 4.584 ( -1.035 8.200 4.359) 9.344 4.633 ( 2.481 5.145 8.710) 10.416 4.692 ( -2.755 10.959 -2.647) 11.606 4.862 ( -0.417 3.108 -6.663) 7.364 4.939 ( 4.291 5.207 -4.024) 7.856 4.948 ( 8.285 6.225 -5.783) 11.868 5.082 ( 1.849 -1.849 2.198) 3.416 5.133 ( 0.756 -0.290 1.204) 1.451 5.157 ( 0.287 3.125 4.982) 5.888 5.231 ( 1.607 8.282 0.139) 8.437 5.304 ( -0.617 1.659 -1.101) 2.085 5.335 ( 6.477 5.851 2.596) 9.107 5.418 ( -1.118 7.176 -2.801) 7.784 5.431 ( -0.900 2.400 -5.048) 5.662 5.560 ( -2.276 3.512 -3.332) 5.349 5.638 ( -2.111 2.198 -4.195) 5.185 5.685 ( -0.017 0.456 1.682) 1.743 5.750 ( 5.545 3.871 -3.319) 7.534 5.866 ( 1.770 2.621 0.973) 3.309 5.903 ( -0.412 4.631 1.014) 4.758 5.986 ( 2.670 5.349 0.139) 5.980 6.014 ( 3.797 3.489 -0.297) 5.166 6.026 ( 7.509 6.790 6.502) 12.032 6.088 ( 7.748 2.465 2.297) 8.449 6.212 ( -0.699 -2.134 1.934) 2.964 6.229 ( 9.253 2.072 -5.466) 10.945 6.334 ( 2.254 1.818 -1.269) 3.162 6.368 ( -3.234 -1.760 -1.782) 4.091 6.382 ( -4.202 5.404 0.702) 6.881 6.432 ( -5.025 2.022 -2.263) 5.870 6.577 ( -4.023 -5.352 13.127) 14.736 6.676 ( 0.366 -0.017 7.209) 7.218 6.799 ( 0.718 0.627 -0.810) 1.251 6.827 ( -2.871 1.527 -0.209) 3.259 6.865 ( 3.458 1.680 -2.586) 4.633 6.955 ( -4.200 0.539 -7.996) 9.048 7.048 ( -5.878 -9.104 2.222) 11.062 7.100 ( -4.650 -4.452 1.743) 6.669 7.148 ( -1.777 3.426 8.917) 9.716 7.239 ( -4.654 1.391 7.119) 8.618 7.267 ( -4.230 -1.175 2.025) 4.834 7.323 ( 0.992 -1.069 0.275) 1.484 7.410 ( -7.693 6.573 7.846) 12.804 7.443 ( -18.425 4.476 7.764) 20.488 7.503 ( -0.042 6.205 -3.832) 7.293 7.572 ( -6.989 4.520 -0.325) 8.329 7.611 ( 0.028 -2.546 -3.312) 4.177 7.677 ( -3.792 2.693 -2.031) 5.075 7.790 ( -8.882 1.913 -11.587) 14.725 7.814 ( -10.633 5.658 -0.883) 12.077 7.879 ( -3.091 3.482 -3.753) 5.980 7.977 ( -4.670 -0.988 -3.830) 6.120 8.010 ( -5.290 -0.067 -2.765) 5.970 8.085 ( -14.415 -3.378 -6.233) 16.064 8.153 ( -3.794 3.931 -0.342) 5.474 8.218 ( -5.113 -0.069 -2.417) 5.656 8.320 ( -12.193 2.624 4.772) 13.354 8.408 ( -6.872 8.050 -3.209) 11.060 8.453 ( -0.175 2.431 2.794) 3.708 8.481 ( 2.704 -5.090 -0.784) 5.817 8.549 ( -0.561 -4.327 0.851) 4.446 8.595 ( -2.212 -1.424 -2.341) 3.521 8.698 ( -0.749 2.574 -0.288) 2.696 8.772 ( 4.668 -4.164 -4.665) 7.803 8.873 ( -1.507 -9.337 -0.205) 9.460 8.900 ( -3.030 -4.920 -0.425) 5.794 8.972 ( -2.346 -2.537 0.504) 3.491 9.045 ( -3.870 -3.197 -5.312) 7.309 9.164 ( -10.596 -0.433 4.544) 11.537 9.232 ( -5.752 -0.426 -1.110) 5.874 9.270 ( 2.191 -3.936 3.088) 5.462 9.381 ( 2.293 -5.602 -4.461) 7.520 9.573 ( -1.012 -6.594 8.782) 11.028 9.661 ( 2.306 -0.818 3.821) 4.537 9.801 ( -2.684 -3.721 4.545) 6.458 9.840 ( 11.495 2.559 4.258) 12.523 9.922 ( -0.817 -5.202 -4.859) 7.166 9.974 ( 7.540 -5.068 2.719) 9.483 10.069 ( 3.768 -1.123 1.816) 4.331 10.192 ( 3.823 1.518 -2.224) 4.676 10.271 ( 9.968 -4.966 -3.832) 11.778 10.324 ( 11.063 -0.607 -2.334) 11.323 10.442 ( 8.177 0.935 4.034) 9.166 10.564 ( -9.037 -3.002 -0.565) 9.539 10.702 ( -12.139 -5.490 -0.358) 13.328 10.887 ( -3.148 0.831 -16.357) 16.678 11.163 ( 0.002 -1.124 30.906) 30.926 11.247 ( 0.488 -5.651 5.708) 8.047 11.334 ( 9.267 -10.869 0.116) 14.284 11.501 ( -5.829 1.577 0.985) 6.118 11.565 ( -3.551 1.740 -4.056) 5.665 11.718 ( -1.921 -2.426 7.747) 8.342 11.813 ( 1.916 -2.744 -0.509) 3.386 11.868 ( 1.014 -0.531 -3.129) 3.332 11.936 ( -2.215 2.380 -8.152) 8.776 12.009 ( -1.456 0.299 4.422) 4.665 12.104 ( 2.632 -0.137 -8.713) 9.103 12.178 ( -5.207 1.320 -19.880) 20.593 12.371 ( 12.271 -2.513 3.838) 13.100 12.594 ( 10.786 -0.462 -13.318) 17.144 12.744 ( 8.018 0.637 -2.704) 8.485 12.774 ( 15.247 4.117 -3.243) 16.123 12.906 ( 0.293 -6.312 3.525) 7.235 12.943 ( 6.134 1.020 0.517) 6.240 12.993 ( 2.339 -1.860 -1.175) 3.211 13.026 ( -0.086 -1.263 -2.887) 3.153 13.155 ( 2.468 3.514 1.811) 4.661 13.181 ( 0.805 -3.385 0.183) 3.484 13.231 ( 5.307 4.042 -1.764) 6.900 13.283 ( 4.153 4.122 -0.013) 5.851 13.465 ( 2.916 4.715 7.154) 9.050 13.581 ( 1.476 1.741 0.444) 2.326 13.756 ( -6.905 -12.925 19.652) 24.514 14.050 ( -6.105 -15.592 5.932) 17.764 14.126 ( -0.630 -13.128 11.902) 17.731 14.512 ( 0.455 -16.049 -11.125) 19.533 14.712 ( -2.881 1.793 17.792) 18.113 14.811 ( -6.373 2.231 27.416) 28.235 15.076 ( -18.759 -1.055 -6.418) 19.854 15.322 ( -12.067 -0.729 -1.761) 12.217 15.395 ( -2.906 2.486 -22.315) 22.640 15.573 ( -8.061 -16.732 -19.548) 26.964 15.957 ( 2.609 -5.042 2.489) 6.198 15.980 ( 1.444 -5.995 3.418) 7.050 16.083 ( 7.235 -6.804 -5.664) 11.433 16.160 ( 0.450 -2.681 -9.736) 10.109 16.320 ( 4.567 -5.660 6.738) 9.914 16.486 ( 8.246 -5.387 -7.003) 12.085 16.750 ( 0.286 -3.362 14.250) 14.644 16.853 ( -2.128 -3.755 9.710) 10.626 17.003 ( -1.033 -1.556 11.400) 11.552 17.089 ( -1.783 4.350 -0.173) 4.705 17.202 ( -4.596 -0.024 -4.108) 6.165 17.294 ( 0.627 -5.060 -10.718) 11.869 17.385 ( 0.044 8.392 8.152) 11.699 17.573 ( -2.980 0.385 2.153) 3.697 17.602 ( -2.351 7.300 -9.733) 12.391 17.667 ( -3.945 1.344 -6.444) 7.674 18.093 ( 6.735 1.174 10.524) 12.549 18.300 ( 7.327 -1.636 -1.691) 7.696 18.366 ( 1.760 -0.353 5.461) 5.748 18.720 ( -3.095 -2.997 -19.964) 20.424 19.073 ( 5.947 -0.310 3.578) 6.947 19.146 ( 8.762 1.230 -2.659) 9.239 19.660 ( -6.747 -6.263 16.435) 18.838 19.860 ( -2.618 -1.488 -3.172) 4.374 20.110 ( 18.706 -3.364 -0.766) 19.021 20.222 ( 10.464 -5.559 -8.446) 14.552 21.099 ( -11.806 -18.269 17.439) 27.880 21.355 ( -15.098 -17.102 -6.443) 23.706 23.224 ( 10.607 1.363 4.997) 11.804 23.379 ( 14.780 -4.890 -8.751) 17.859 23.545 ( 0.177 -0.636 0.388) 0.766 23.561 ( 2.436 -1.054 0.928) 2.812 23.564 ( 0.775 -0.574 -1.226) 1.560 23.583 ( 4.257 -1.780 -0.963) 4.714 23.957 ( -3.579 -1.096 1.868) 4.183 24.009 ( -1.676 -1.215 -2.297) 3.092 24.760 ( 1.706 -1.387 12.846) 13.033 24.972 ( -3.354 -14.191 19.711) 24.519 25.096 ( 2.223 -2.459 -14.788) 15.155 25.370 ( -4.135 -12.118 -13.934) 18.924 25.641 ( -0.727 3.082 5.007) 5.924 25.685 ( -0.756 6.316 0.968) 6.434 25.730 ( -0.091 6.620 0.392) 6.633 25.766 ( -0.349 6.345 -2.427) 6.802 25.868 ( -0.382 4.597 1.606) 4.885 25.884 ( -1.261 8.301 0.007) 8.396 26.002 ( 0.980 -0.973 1.172) 1.811 26.022 ( 0.201 2.708 -0.563) 2.773 26.178 ( 6.240 -2.612 0.288) 6.770 26.186 ( 6.697 -2.429 -0.346) 7.132 26.348 ( 2.173 0.453 1.596) 2.734 26.419 ( 1.840 -2.277 -4.530) 5.394 26.929 ( -2.113 6.994 2.035) 7.584 26.976 ( -1.639 6.559 -1.917) 7.027 27.162 ( -9.575 19.291 10.345) 23.893 27.431 ( -16.185 17.296 -11.877) 26.498 27.926 ( -1.526 15.628 4.128) 16.236 28.065 ( -2.855 6.472 1.358) 7.203 28.096 ( -4.203 11.724 -3.456) 12.926 28.099 ( -10.070 25.356 -10.872) 29.369 ======================= Grid point 52 (21/30) ======================= q-point: ( 0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 30.052 12.595 17.837) 37.148 2.470 ( 24.027 16.266 27.146) 39.734 2.790 ( 19.092 8.857 -20.897) 29.659 2.870 ( -12.029 5.466 4.668) 14.013 2.905 ( -14.197 7.862 7.912) 18.055 3.017 ( 8.394 6.605 -13.973) 17.588 3.228 ( -12.709 8.580 -7.334) 16.998 3.306 ( -11.173 4.905 -7.453) 14.299 3.517 ( 7.843 1.826 8.478) 11.693 3.661 ( 4.720 5.654 -3.490) 8.151 3.665 ( -1.983 2.570 7.649) 8.310 3.849 ( -3.841 1.203 -3.419) 5.281 3.914 ( 4.280 5.639 6.118) 9.357 3.988 ( -0.725 6.366 6.637) 9.225 4.037 ( 10.445 7.243 -2.631) 12.980 4.096 ( 7.456 9.158 5.589) 13.065 4.132 ( 5.022 5.077 -4.051) 8.210 4.192 ( 6.803 6.798 -2.986) 10.070 4.215 ( 0.102 7.719 -0.728) 7.754 4.319 ( -4.506 8.077 -6.908) 11.544 4.373 ( 14.486 4.825 5.541) 16.243 4.536 ( 15.536 7.712 -3.461) 17.687 4.604 ( -0.584 8.871 -0.556) 8.908 4.646 ( 0.474 11.556 -3.204) 12.001 4.736 ( 9.747 12.495 6.277) 17.045 4.884 ( 5.046 7.286 1.062) 8.926 4.988 ( -1.206 3.330 8.388) 9.105 5.054 ( 3.090 5.018 0.107) 5.894 5.139 ( -1.226 2.971 3.392) 4.673 5.151 ( 0.447 1.566 0.649) 1.753 5.198 ( 1.401 3.444 -2.224) 4.333 5.250 ( 2.502 -0.218 -0.612) 2.585 5.349 ( -3.385 3.923 -8.515) 9.967 5.370 ( 3.755 3.602 -2.694) 5.859 5.445 ( 2.962 3.680 -1.503) 4.957 5.524 ( -1.981 6.915 -2.665) 7.671 5.626 ( -1.343 2.205 -3.010) 3.966 5.633 ( 7.091 5.268 -5.516) 10.414 5.659 ( -8.310 3.574 -1.254) 9.133 5.743 ( -6.231 -1.316 -6.667) 9.220 5.805 ( 0.548 5.557 4.487) 7.163 5.915 ( 5.842 4.002 -6.176) 9.396 5.988 ( -0.877 2.136 2.988) 3.776 6.046 ( -1.463 -1.080 -0.523) 1.893 6.126 ( -6.748 0.198 4.218) 7.960 6.189 ( 0.981 -2.451 6.184) 6.724 6.205 ( -1.304 -0.041 -1.670) 2.119 6.267 ( 3.641 2.279 -1.125) 4.441 6.292 ( 2.469 3.715 0.048) 4.461 6.312 ( -5.066 2.059 -0.575) 5.498 6.385 ( -5.668 -2.737 -1.905) 6.576 6.416 ( -7.512 -4.028 -0.439) 8.535 6.526 ( -9.804 2.493 5.156) 11.354 6.533 ( -5.927 -4.482 7.869) 10.823 6.666 ( 3.776 0.433 3.264) 5.010 6.695 ( -3.294 1.751 5.795) 6.892 6.776 ( -1.036 3.693 -4.405) 5.841 6.876 ( 1.904 5.543 -1.735) 6.112 6.953 ( 0.439 0.704 -5.339) 5.403 7.006 ( -0.748 0.560 -3.141) 3.277 7.092 ( 0.913 7.625 3.973) 8.647 7.153 ( -1.984 4.557 -0.564) 5.002 7.190 ( -5.439 6.453 3.969) 9.326 7.246 ( -8.697 6.085 -4.299) 11.452 7.319 ( -1.665 1.761 3.962) 4.645 7.357 ( -1.457 -2.587 3.100) 4.293 7.436 ( 1.828 1.755 4.117) 4.835 7.488 ( -0.245 -1.761 -2.597) 3.147 7.625 ( -1.804 4.390 -4.058) 6.245 7.637 ( -4.376 1.416 2.572) 5.270 7.669 ( -0.292 7.168 -4.449) 8.442 7.713 ( -5.424 8.602 -4.138) 10.979 7.744 ( -8.475 1.358 -3.618) 9.315 7.817 ( 6.043 -2.350 -12.815) 14.362 7.914 ( -6.579 2.147 -1.804) 7.152 7.949 ( -2.380 1.876 -4.065) 5.070 8.127 ( 0.612 2.952 1.468) 3.353 8.153 ( 4.026 2.863 2.756) 5.657 8.230 ( -0.860 0.362 4.392) 4.490 8.331 ( -1.946 0.481 -0.743) 2.138 8.413 ( -3.214 3.829 0.879) 5.076 8.455 ( -1.638 -0.137 2.946) 3.373 8.542 ( 5.396 1.055 1.462) 5.689 8.598 ( 1.160 0.440 0.339) 1.286 8.653 ( -5.229 3.754 -1.401) 6.587 8.789 ( -9.823 1.303 2.224) 10.156 8.822 ( -4.067 -6.626 -4.455) 8.960 8.859 ( 1.530 -6.989 0.558) 7.176 8.893 ( 1.288 -4.194 -1.545) 4.652 8.915 ( -1.470 -2.206 -1.221) 2.918 8.995 ( -4.145 -4.653 -0.788) 6.281 9.056 ( -10.338 -1.083 -7.151) 12.616 9.393 ( 8.955 -0.651 4.671) 10.121 9.501 ( 9.123 -1.880 -4.741) 10.451 9.563 ( -2.903 -8.643 9.436) 13.121 9.694 ( -5.256 -4.808 -2.104) 7.428 9.767 ( -2.184 -2.497 3.881) 5.106 9.789 ( 1.188 -1.690 6.912) 7.214 9.950 ( -1.039 1.764 -1.451) 2.509 10.058 ( -5.735 -3.278 -5.955) 8.894 10.171 ( 9.052 -1.659 10.036) 13.617 10.277 ( 4.258 -1.409 1.807) 4.836 10.336 ( -3.300 -6.455 4.472) 8.518 10.407 ( -4.442 -3.512 -0.825) 5.723 10.435 ( 3.848 -1.788 8.265) 9.291 10.543 ( -3.713 -6.790 4.562) 8.983 10.702 ( 10.535 4.349 -11.769) 16.383 10.848 ( -3.108 4.095 -19.404) 20.074 11.150 ( -0.140 -1.225 29.125) 29.151 11.187 ( -3.491 -3.175 20.032) 20.581 11.482 ( 6.459 -12.102 -5.122) 14.643 11.531 ( 4.947 -14.131 -0.535) 14.981 11.569 ( 1.161 -9.981 -7.877) 12.767 11.628 ( -5.488 -8.608 0.405) 10.216 11.827 ( -1.121 0.640 -11.050) 11.125 11.849 ( -2.111 -0.007 -5.392) 5.791 11.959 ( 2.511 -3.262 0.177) 4.120 11.990 ( -0.713 -2.779 3.312) 4.382 12.101 ( 0.464 -0.332 -17.214) 17.224 12.133 ( -1.334 -0.023 -13.420) 13.486 12.634 ( 10.281 -4.842 5.086) 12.450 12.766 ( -0.397 -4.580 2.883) 5.427 12.808 ( 4.314 -1.624 -6.764) 8.185 12.888 ( -0.993 -1.064 -5.318) 5.514 12.951 ( 1.759 -4.871 6.449) 8.271 12.982 ( -1.233 -2.502 2.688) 3.874 13.053 ( 3.341 -1.579 -5.011) 6.226 13.123 ( -0.691 -4.239 -7.218) 8.399 13.219 ( 5.302 6.820 7.344) 11.339 13.270 ( 4.072 1.452 7.772) 8.893 13.365 ( 3.795 3.843 -3.088) 6.222 13.369 ( 3.248 2.657 0.155) 4.199 13.553 ( 4.062 5.090 5.477) 8.509 13.584 ( -0.534 1.851 10.955) 11.123 13.676 ( 1.941 8.376 -1.079) 8.665 13.840 ( -10.201 -4.947 -4.864) 12.336 14.247 ( 10.309 -5.584 16.398) 20.158 14.510 ( -9.026 3.938 12.234) 15.705 14.553 ( 0.224 -8.207 -2.477) 8.576 14.693 ( -12.104 -9.572 0.108) 15.432 14.846 ( 5.368 -0.486 15.261) 16.185 15.044 ( -11.966 -0.441 5.199) 13.054 15.380 ( 0.567 -5.220 -26.140) 26.662 15.432 ( -4.523 -10.353 -23.303) 25.897 15.971 ( 0.096 -2.678 5.913) 6.492 15.980 ( -0.637 -3.170 5.702) 6.555 16.170 ( 1.149 -2.494 -12.650) 12.945 16.175 ( 0.488 -2.484 -12.698) 12.948 16.500 ( 9.826 -5.974 13.184) 17.495 16.673 ( -3.655 -5.880 13.080) 14.800 16.735 ( 8.328 -5.816 -4.050) 10.935 16.850 ( 0.691 -4.457 6.841) 8.194 16.980 ( -0.779 -0.759 10.566) 10.622 17.069 ( -6.822 -1.319 1.012) 7.022 17.109 ( 3.641 2.035 -2.785) 5.016 17.227 ( -5.885 -2.078 -3.571) 7.190 17.429 ( 3.614 5.327 -0.218) 6.441 17.503 ( -3.157 3.059 0.237) 4.403 17.545 ( -1.395 5.743 -7.817) 9.800 17.577 ( -3.758 2.873 -6.304) 7.882 18.226 ( 4.843 -0.141 11.848) 12.800 18.301 ( -2.274 -1.006 12.941) 13.177 18.515 ( 6.854 -1.677 -14.078) 15.748 18.637 ( -4.559 -2.452 -17.244) 18.004 19.250 ( 9.808 -1.912 8.242) 12.953 19.394 ( 12.920 -0.481 -4.356) 13.643 19.474 ( -9.676 -4.052 12.610) 16.403 19.680 ( -11.961 -2.730 -6.111) 13.706 20.491 ( 15.895 -6.849 2.047) 17.428 20.566 ( 18.432 -6.376 -3.633) 19.839 20.815 ( -13.694 -9.986 9.063) 19.219 20.980 ( -18.584 -10.732 -5.268) 22.098 23.425 ( 6.500 -0.001 4.747) 8.049 23.514 ( -2.112 -0.480 1.525) 2.649 23.530 ( 1.982 -1.186 -3.580) 4.260 23.559 ( -0.701 -0.605 -2.026) 2.228 23.680 ( 7.512 -2.116 2.993) 8.359 23.785 ( 8.999 -5.529 -5.725) 12.014 23.848 ( -5.739 -2.324 2.292) 6.602 23.945 ( -4.590 -3.244 -5.018) 7.535 24.813 ( 3.103 -3.892 14.279) 15.122 24.891 ( -3.875 -8.393 17.071) 19.413 25.162 ( 3.911 -4.647 -15.928) 17.046 25.263 ( -5.197 -8.847 -15.363) 18.475 25.638 ( 0.551 3.506 4.749) 5.928 25.663 ( -1.418 4.812 3.791) 6.288 25.709 ( -0.255 6.893 -1.376) 7.034 25.729 ( -1.878 8.689 -1.813) 9.073 25.924 ( 4.089 9.124 0.345) 10.005 25.932 ( 3.550 7.815 -0.292) 8.588 25.994 ( -1.713 3.842 0.099) 4.208 26.001 ( -2.341 7.218 -0.525) 7.607 26.306 ( 4.398 -0.660 1.975) 4.866 26.318 ( 4.494 -1.943 1.981) 5.282 26.393 ( 1.858 -2.434 -1.010) 3.224 26.442 ( -0.813 -2.939 -4.143) 5.144 26.890 ( -0.379 8.017 2.762) 8.488 26.948 ( -1.759 9.273 0.310) 9.444 26.965 ( -4.652 12.272 2.103) 13.291 27.078 ( -12.001 16.058 -5.116) 20.689 27.926 ( 1.678 9.454 2.398) 9.897 27.988 ( -3.247 7.855 1.117) 8.573 27.992 ( -0.689 12.802 -2.644) 13.090 28.030 ( -3.047 9.250 -1.785) 9.901 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.000 38.367 18.087) 42.416 2.272 ( 0.000 35.397 20.871) 41.091 2.656 ( 0.000 27.909 -26.158) 38.251 2.795 ( 0.000 22.041 -26.318) 34.328 3.008 ( 0.000 0.390 3.904) 3.923 3.138 ( 0.000 2.078 -7.321) 7.611 3.250 ( 0.000 3.084 2.214) 3.796 3.303 ( 0.000 3.416 -1.970) 3.943 3.655 ( 0.000 37.434 33.306) 50.106 3.798 ( 0.000 7.356 7.813) 10.731 3.811 ( 0.000 6.812 15.205) 16.661 3.882 ( 0.000 5.708 1.702) 5.956 3.962 ( 0.000 -0.081 3.366) 3.367 4.000 ( 0.000 25.272 18.875) 31.543 4.048 ( 0.000 2.580 0.515) 2.631 4.080 ( 0.000 3.255 3.200) 4.565 4.229 ( 0.000 7.989 -12.182) 14.567 4.244 ( 0.000 8.550 -12.874) 15.455 4.258 ( 0.000 12.305 -3.907) 12.910 4.456 ( 0.000 4.510 -0.394) 4.527 4.558 ( 0.000 -1.569 -2.989) 3.376 4.623 ( 0.000 -2.443 7.810) 8.183 4.686 ( 0.000 8.866 -9.963) 13.337 4.735 ( 0.000 -2.301 -1.064) 2.535 4.775 ( 0.000 16.444 -11.568) 20.106 4.876 ( 0.000 6.710 -8.557) 10.874 4.881 ( 0.000 0.913 2.281) 2.457 4.954 ( 0.000 6.764 -2.660) 7.268 5.156 ( 0.000 10.509 3.515) 11.081 5.243 ( 0.000 5.904 -0.171) 5.906 5.243 ( 0.000 5.976 -0.219) 5.980 5.351 ( 0.000 -4.360 -9.227) 10.205 5.390 ( 0.000 4.533 5.359) 7.019 5.492 ( 0.000 8.403 4.519) 9.541 5.593 ( 0.000 5.012 4.930) 7.030 5.596 ( 0.000 15.167 -5.338) 16.079 5.625 ( 0.000 7.777 -10.981) 13.456 5.663 ( 0.000 0.888 0.891) 1.258 5.791 ( 0.000 -0.401 0.941) 1.023 5.828 ( 0.000 3.414 -1.436) 3.704 5.846 ( 0.000 6.588 4.218) 7.823 5.877 ( 0.000 -4.094 4.032) 5.746 6.002 ( 0.000 3.635 8.331) 9.090 6.009 ( 0.000 4.666 -0.877) 4.747 6.092 ( 0.000 6.053 -5.222) 7.994 6.203 ( 0.000 4.452 -5.981) 7.456 6.205 ( 0.000 3.427 1.388) 3.698 6.336 ( 0.000 2.328 -6.912) 7.294 6.347 ( 0.000 -0.033 4.539) 4.539 6.368 ( 0.000 11.127 -0.164) 11.129 6.523 ( 0.000 1.314 5.642) 5.793 6.571 ( 0.000 -4.802 4.183) 6.369 6.654 ( 0.000 2.460 0.023) 2.460 6.697 ( 0.000 -4.611 -6.829) 8.240 6.750 ( 0.000 11.742 -1.529) 11.841 6.928 ( 0.000 4.779 -8.730) 9.953 6.953 ( 0.000 -3.491 1.284) 3.719 6.954 ( 0.000 -4.581 3.174) 5.574 7.063 ( 0.000 -0.229 2.628) 2.638 7.120 ( 0.000 24.455 3.388) 24.688 7.166 ( 0.000 23.213 0.666) 23.223 7.190 ( 0.000 -2.028 -5.883) 6.222 7.317 ( 0.000 -5.822 3.265) 6.675 7.405 ( 0.000 3.674 2.485) 4.435 7.447 ( 0.000 -10.485 -8.998) 13.817 7.456 ( 0.000 -2.445 3.155) 3.992 7.539 ( 0.000 -18.031 2.966) 18.274 7.652 ( 0.000 -7.239 0.941) 7.300 7.822 ( 0.000 6.204 6.877) 9.261 7.847 ( 0.000 3.751 5.528) 6.681 7.920 ( 0.000 -7.964 1.411) 8.088 7.961 ( 0.000 2.031 0.402) 2.070 7.981 ( 0.000 -5.852 -3.709) 6.929 8.052 ( 0.000 17.578 -9.353) 19.911 8.221 ( 0.000 7.682 8.236) 11.262 8.253 ( 0.000 2.931 -5.524) 6.253 8.302 ( 0.000 -9.206 5.438) 10.692 8.329 ( 0.000 5.744 -9.569) 11.160 8.357 ( 0.000 0.153 5.455) 5.457 8.364 ( 0.000 -5.597 -0.475) 5.617 8.432 ( 0.000 5.048 -3.852) 6.349 8.533 ( 0.000 4.872 -7.612) 9.037 8.555 ( 0.000 1.602 2.898) 3.311 8.609 ( 0.000 -6.620 1.876) 6.880 8.616 ( 0.000 4.767 3.400) 5.856 8.721 ( 0.000 -2.530 -5.906) 6.425 8.745 ( 0.000 -0.666 -6.665) 6.698 8.814 ( 0.000 -4.087 -9.452) 10.297 8.986 ( 0.000 -14.019 4.914) 14.855 9.034 ( 0.000 -0.383 1.886) 1.925 9.125 ( 0.000 5.332 -6.788) 8.632 9.166 ( 0.000 -13.683 -8.130) 15.916 9.262 ( 0.000 -18.320 3.341) 18.623 9.312 ( 0.000 -15.823 -1.737) 15.918 9.438 ( 0.000 4.926 3.515) 6.052 9.516 ( 0.000 -1.131 13.158) 13.206 9.533 ( 0.000 3.946 -5.003) 6.372 9.622 ( 0.000 -3.557 1.731) 3.956 9.829 ( 0.000 0.222 8.425) 8.428 9.956 ( 0.000 -5.633 -1.499) 5.829 9.975 ( 0.000 -2.037 -2.783) 3.449 10.019 ( 0.000 5.952 -4.899) 7.709 10.271 ( 0.000 5.647 1.284) 5.791 10.319 ( 0.000 9.304 -2.621) 9.666 10.341 ( 0.000 -2.618 11.732) 12.020 10.525 ( 0.000 -11.611 -4.134) 12.326 10.778 ( 0.000 -11.131 6.171) 12.728 10.827 ( 0.000 -10.413 6.302) 12.172 10.945 ( 0.000 -9.182 -8.095) 12.241 11.024 ( 0.000 -3.122 -2.603) 4.065 11.236 ( 0.000 0.855 25.871) 25.885 11.662 ( 0.000 -7.925 -4.750) 9.240 11.740 ( 0.000 -3.815 9.648) 10.375 11.788 ( 0.000 -6.680 2.694) 7.203 11.873 ( 0.000 7.483 -5.998) 9.590 11.893 ( 0.000 0.102 6.969) 6.970 11.907 ( 0.000 4.172 3.746) 5.607 12.090 ( 0.000 4.004 -2.178) 4.558 12.187 ( 0.000 2.841 -7.802) 8.303 12.342 ( 0.000 16.266 6.185) 17.402 12.391 ( 0.000 0.245 -29.985) 29.986 12.482 ( 0.000 -1.559 2.187) 2.686 12.549 ( 0.000 11.031 -8.456) 13.899 12.558 ( 0.000 -3.960 -4.487) 5.985 12.665 ( 0.000 -15.122 7.867) 17.046 12.818 ( 0.000 -5.130 1.541) 5.356 12.897 ( 0.000 -5.272 -6.245) 8.173 12.942 ( 0.000 -7.481 -16.436) 18.058 13.075 ( 0.000 -1.801 2.320) 2.937 13.165 ( 0.000 6.220 -5.290) 8.165 13.315 ( 0.000 4.767 4.115) 6.298 13.331 ( 0.000 5.164 0.891) 5.240 13.431 ( 0.000 -4.875 24.980) 25.452 13.577 ( 0.000 7.586 5.639) 9.452 13.700 ( 0.000 -16.038 20.128) 25.736 13.708 ( 0.000 3.711 -1.729) 4.094 13.935 ( 0.000 -8.585 -8.775) 12.276 14.081 ( 0.000 -21.547 -11.650) 24.495 14.687 ( 0.000 -1.250 20.329) 20.368 14.874 ( 0.000 -5.177 18.450) 19.162 15.153 ( 0.000 -9.803 -16.779) 19.433 15.282 ( 0.000 -13.866 -13.942) 19.663 15.461 ( 0.000 -20.941 -4.664) 21.454 15.465 ( 0.000 -24.305 -2.587) 24.442 15.561 ( 0.000 1.919 5.260) 5.599 15.763 ( 0.000 10.228 -10.095) 14.371 15.896 ( 0.000 -6.352 7.417) 9.765 16.113 ( 0.000 -2.870 -12.417) 12.744 16.259 ( 0.000 0.863 2.650) 2.787 16.506 ( 0.000 7.526 -14.927) 16.717 16.656 ( 0.000 -5.363 14.961) 15.893 16.800 ( 0.000 -1.827 8.777) 8.966 17.041 ( 0.000 -1.790 -4.836) 5.157 17.076 ( 0.000 -3.352 16.589) 16.925 17.177 ( 0.000 -3.275 -11.204) 11.673 17.286 ( 0.000 -1.089 -1.166) 1.596 17.544 ( 0.000 6.320 8.353) 10.475 17.598 ( 0.000 -0.094 4.550) 4.551 17.737 ( 0.000 1.222 -7.751) 7.846 17.749 ( 0.000 4.828 -9.042) 10.250 18.046 ( 0.000 2.571 7.689) 8.107 18.179 ( 0.000 2.353 -4.011) 4.650 18.337 ( 0.000 -2.709 12.001) 12.303 18.657 ( 0.000 -6.584 -17.751) 18.932 19.030 ( 0.000 1.822 3.002) 3.512 19.097 ( 0.000 3.578 -2.612) 4.430 19.565 ( 0.000 -10.822 18.493) 21.427 19.898 ( 0.000 -14.021 -11.358) 18.045 19.933 ( 0.000 7.070 0.917) 7.129 19.952 ( 0.000 7.466 -0.727) 7.501 20.833 ( 0.000 -16.115 11.894) 20.029 21.069 ( 0.000 -22.222 -8.187) 23.682 23.195 ( 0.000 7.192 1.634) 7.375 23.234 ( 0.000 7.201 -1.584) 7.373 23.509 ( 0.000 -0.391 0.853) 0.938 23.529 ( 0.000 -0.366 -0.877) 0.950 23.541 ( 0.000 -0.823 0.381) 0.906 23.556 ( 0.000 -0.657 -0.961) 1.164 23.927 ( 0.000 -5.748 1.833) 6.033 23.967 ( 0.000 -5.379 -1.476) 5.578 24.728 ( 0.000 -0.590 11.889) 11.904 24.812 ( 0.000 -5.036 15.171) 15.985 25.046 ( 0.000 -0.878 -15.918) 15.942 25.198 ( 0.000 -7.959 -18.435) 20.080 25.742 ( 0.000 5.030 8.646) 10.003 25.790 ( 0.000 1.189 7.975) 8.063 25.880 ( 0.000 6.038 -3.640) 7.050 25.897 ( 0.000 8.351 -2.199) 8.636 25.958 ( 0.000 2.289 2.232) 3.197 25.982 ( 0.000 8.025 0.330) 8.032 26.001 ( 0.000 3.769 -1.106) 3.928 26.027 ( 0.000 0.261 -3.274) 3.284 26.151 ( 0.000 5.103 1.622) 5.354 26.185 ( 0.000 6.045 -1.362) 6.197 26.335 ( 0.000 -2.876 -0.396) 2.903 26.348 ( 0.000 0.081 -1.184) 1.187 27.139 ( 0.000 10.441 1.111) 10.500 27.163 ( 0.000 9.370 -0.803) 9.404 27.528 ( 0.000 6.383 6.793) 9.322 27.647 ( 0.000 -0.322 -3.419) 3.434 28.271 ( 0.000 9.724 2.369) 10.008 28.327 ( 0.000 11.028 -2.376) 11.281 28.370 ( 0.000 15.889 13.022) 20.544 28.791 ( 0.000 8.122 -22.932) 24.328 ======================= Grid point 56 (23/30) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 12.786 31.798 16.969) 38.243 2.494 ( 16.568 29.496 19.461) 39.028 2.788 ( 8.741 22.023 -23.365) 33.277 2.924 ( 11.457 15.891 -17.021) 25.952 3.029 ( 1.762 1.326 3.094) 3.800 3.151 ( -0.080 2.494 -6.626) 7.080 3.311 ( 6.067 3.568 2.767) 7.563 3.401 ( 8.173 7.106 -3.590) 11.409 3.716 ( -7.254 2.654 8.959) 11.829 3.804 ( -2.600 7.874 8.387) 11.795 3.848 ( 5.836 13.484 13.556) 19.991 3.929 ( 3.904 7.900 -0.910) 8.858 3.965 ( -0.855 1.716 6.130) 6.423 3.990 ( 3.559 3.684 0.789) 5.183 4.090 ( 4.295 19.454 9.064) 21.888 4.125 ( 7.529 13.458 11.104) 19.003 4.228 ( -0.510 9.013 -7.541) 11.762 4.236 ( 3.940 11.056 -5.366) 12.905 4.273 ( 1.728 9.274 -2.587) 9.781 4.448 ( -2.740 1.404 2.582) 4.018 4.511 ( -2.156 1.742 -1.477) 3.141 4.638 ( 2.281 12.280 -3.923) 13.092 4.750 ( 4.140 -0.246 -0.383) 4.165 4.793 ( 3.034 5.879 -3.885) 7.672 4.808 ( 3.905 6.859 5.702) 9.737 4.914 ( 1.437 6.781 -5.771) 9.019 4.992 ( 8.294 -1.991 0.006) 8.530 5.024 ( 2.986 1.495 -1.113) 3.520 5.096 ( -1.155 3.953 -3.048) 5.123 5.144 ( -2.075 6.971 -7.268) 10.282 5.281 ( -2.644 5.268 0.410) 5.908 5.340 ( -0.320 4.475 4.027) 6.029 5.395 ( 0.575 0.458 -2.500) 2.606 5.449 ( -1.375 8.382 5.341) 10.033 5.529 ( -2.129 7.449 -5.456) 9.475 5.612 ( 1.578 4.664 -4.009) 6.350 5.636 ( 2.230 16.152 -5.648) 17.255 5.727 ( 0.564 6.795 -4.053) 7.932 5.775 ( 3.150 5.802 4.441) 7.957 5.829 ( 3.070 5.277 3.241) 6.912 5.892 ( 2.295 -1.701 3.108) 4.221 5.956 ( 2.644 4.814 0.327) 5.502 6.020 ( 2.317 -0.991 0.376) 2.547 6.091 ( -3.900 -1.632 0.641) 4.276 6.130 ( -1.208 2.400 -1.555) 3.104 6.174 ( 8.280 4.887 3.789) 10.334 6.251 ( 0.099 3.817 -1.981) 4.301 6.302 ( -4.583 3.829 -2.792) 6.592 6.359 ( 1.310 -1.914 4.743) 5.280 6.387 ( -0.377 2.102 2.973) 3.660 6.419 ( -2.265 3.791 -2.422) 5.037 6.510 ( 1.855 3.510 -2.880) 4.904 6.678 ( -1.983 5.650 3.077) 6.732 6.761 ( 3.424 0.030 -0.799) 3.516 6.838 ( 4.859 -2.214 -1.043) 5.441 6.874 ( -3.357 0.524 -0.145) 3.400 6.929 ( 0.071 3.111 -3.085) 4.382 6.986 ( -3.558 5.379 -1.751) 6.682 7.012 ( -2.363 7.949 -5.006) 9.686 7.076 ( -4.479 13.949 -0.565) 14.662 7.125 ( -2.529 7.403 -0.396) 7.833 7.216 ( 4.706 -3.358 -6.979) 9.063 7.280 ( -0.647 0.750 6.565) 6.639 7.371 ( -3.089 2.905 6.726) 7.951 7.434 ( -4.714 -5.050 -3.972) 7.968 7.466 ( -7.590 -5.101 -0.115) 9.145 7.560 ( -0.977 -4.691 2.893) 5.597 7.647 ( -0.978 5.309 5.224) 7.512 7.673 ( -6.418 0.323 1.021) 6.506 7.736 ( -5.114 5.686 3.030) 8.226 7.883 ( -10.558 10.478 -5.907) 16.005 7.928 ( -1.279 3.331 2.129) 4.155 7.970 ( -9.482 0.900 -4.261) 10.434 8.000 ( -3.571 7.212 -3.092) 8.621 8.037 ( -1.523 0.640 -4.520) 4.812 8.085 ( -2.595 3.095 -7.422) 8.450 8.238 ( -6.364 8.344 4.225) 11.312 8.272 ( -4.968 -1.564 4.572) 6.930 8.328 ( -0.149 3.227 -1.017) 3.387 8.351 ( -1.246 1.245 -0.822) 1.944 8.454 ( 1.716 -2.400 1.290) 3.220 8.516 ( 0.008 0.658 -1.096) 1.278 8.528 ( -3.745 2.994 -3.673) 6.040 8.597 ( -0.828 -4.545 2.035) 5.048 8.620 ( -3.253 -4.522 -3.871) 6.783 8.678 ( 0.618 -1.962 1.844) 2.762 8.692 ( -5.677 -6.964 -1.028) 9.044 8.851 ( -1.427 -3.061 -8.200) 8.869 8.908 ( -6.791 -2.312 1.870) 7.413 8.986 ( -6.164 -1.716 -6.140) 8.868 9.106 ( 10.950 -10.319 1.529) 15.123 9.182 ( 0.582 -9.200 -3.463) 9.847 9.263 ( 0.887 -3.549 4.760) 6.003 9.291 ( -9.289 6.088 1.356) 11.189 9.373 ( -3.386 -1.570 1.880) 4.179 9.435 ( 6.146 -14.248 -2.695) 15.749 9.767 ( 4.675 1.769 10.186) 11.346 9.832 ( 12.527 -4.417 4.908) 14.161 9.886 ( -3.558 -2.239 -2.819) 5.062 9.935 ( 1.420 0.128 -2.364) 2.761 10.042 ( 9.556 -3.268 -0.517) 10.112 10.127 ( 8.543 -2.129 -3.141) 9.348 10.279 ( 0.115 3.533 5.577) 6.603 10.324 ( -1.436 -0.996 5.146) 5.435 10.411 ( 0.690 -5.705 5.774) 8.146 10.543 ( 5.991 2.924 -1.560) 6.847 10.603 ( -10.112 -4.570 1.463) 11.193 10.803 ( 3.192 -10.223 -13.208) 17.004 11.030 ( 1.076 -9.627 9.097) 13.289 11.082 ( 2.088 -9.193 2.015) 9.640 11.203 ( -3.675 -1.905 15.351) 15.899 11.494 ( -10.407 -2.636 1.727) 10.874 11.553 ( -13.440 -1.838 -0.445) 13.572 11.678 ( -9.867 -3.851 15.230) 18.551 11.799 ( -1.033 1.011 6.560) 6.718 11.884 ( -0.219 1.404 -9.017) 9.129 11.994 ( -5.228 4.894 -4.397) 8.403 12.008 ( -1.381 0.115 -3.193) 3.480 12.081 ( -4.052 -2.776 -1.720) 5.204 12.230 ( -6.390 0.206 -21.560) 22.488 12.284 ( 4.742 -2.889 5.035) 7.496 12.571 ( 9.325 -1.789 -19.041) 21.277 12.653 ( -0.544 -11.413 3.981) 12.099 12.741 ( 7.623 -4.850 1.154) 9.108 12.769 ( 4.989 -4.461 0.645) 6.724 12.915 ( 3.338 -4.318 -3.256) 6.355 12.934 ( 2.471 -5.328 -7.768) 9.738 12.964 ( 3.207 -4.505 -10.038) 11.460 13.136 ( 6.844 -0.193 6.823) 9.665 13.256 ( 4.671 2.454 -0.338) 5.287 13.323 ( 0.825 3.370 6.886) 7.711 13.379 ( 3.643 4.556 5.277) 7.866 13.456 ( 2.327 -2.502 11.223) 11.732 13.586 ( 0.261 -1.200 9.238) 9.319 13.741 ( 1.358 -2.700 -2.983) 4.246 13.796 ( -3.008 -3.126 -5.292) 6.843 13.902 ( 10.962 -2.399 10.671) 15.485 14.173 ( 8.497 -11.264 -8.107) 16.272 14.686 ( -11.383 -10.990 16.020) 22.516 14.711 ( 2.218 0.193 16.269) 16.420 15.081 ( -8.938 -4.062 -7.808) 12.544 15.149 ( -2.969 -8.261 -11.890) 14.780 15.352 ( -5.109 -4.674 -6.420) 9.442 15.610 ( -7.743 7.990 -11.985) 16.353 15.777 ( 8.851 -7.917 1.367) 11.954 15.812 ( 15.160 -11.566 -2.466) 19.227 15.908 ( 2.247 -7.242 6.896) 10.250 16.100 ( -0.717 -2.594 -10.619) 10.955 16.261 ( 1.549 -0.731 1.688) 2.404 16.443 ( -1.415 1.920 -9.861) 10.145 16.649 ( -1.616 -5.727 13.726) 14.960 16.798 ( -0.615 -1.827 6.365) 6.651 16.967 ( -2.264 -2.569 12.889) 13.336 17.100 ( -1.698 -2.548 -3.099) 4.357 17.166 ( -1.952 -2.289 -5.150) 5.964 17.236 ( -2.773 -1.775 -4.591) 5.649 17.538 ( -0.534 5.630 6.736) 8.795 17.580 ( -1.203 0.522 3.302) 3.553 17.692 ( -2.922 1.590 -6.845) 7.611 17.726 ( -3.139 3.907 -8.377) 9.762 18.118 ( 5.277 1.334 9.036) 10.549 18.276 ( 4.282 -0.877 1.111) 4.510 18.338 ( 2.513 -1.977 3.599) 4.814 18.628 ( -2.335 -5.876 -17.097) 18.229 19.077 ( 4.300 0.822 5.008) 6.652 19.182 ( 7.391 2.514 -3.966) 8.757 19.504 ( -4.870 -8.628 16.568) 19.304 19.780 ( -6.733 -7.267 -8.294) 12.920 20.081 ( 11.459 1.061 1.499) 11.605 20.133 ( 11.774 -1.206 -2.974) 12.203 20.765 ( -5.972 -14.375 10.029) 18.518 20.964 ( -8.894 -19.132 -6.928) 22.206 23.287 ( 7.276 4.813 2.849) 9.177 23.362 ( 9.361 2.695 -3.472) 10.342 23.530 ( 0.750 -0.697 0.595) 1.184 23.542 ( 1.358 -0.784 0.885) 1.801 23.551 ( 1.063 -0.602 -1.141) 1.671 23.561 ( 1.705 -0.701 -0.763) 1.995 23.891 ( -3.347 -5.238 2.314) 6.632 23.943 ( -2.318 -5.330 -2.070) 6.169 24.735 ( 0.598 -0.955 12.034) 12.086 24.801 ( -0.922 -4.452 14.525) 15.220 25.056 ( 0.879 -1.487 -16.021) 16.114 25.172 ( -2.049 -6.921 -17.788) 19.196 25.716 ( -1.372 4.219 8.073) 9.212 25.769 ( -1.771 1.939 7.486) 7.933 25.844 ( -1.909 4.922 -2.111) 5.686 25.896 ( -1.558 4.471 -3.194) 5.711 25.997 ( 4.539 4.793 1.222) 6.713 26.032 ( 3.140 5.207 -1.421) 6.245 26.068 ( 4.454 8.072 0.886) 9.261 26.098 ( 5.011 5.098 -1.713) 7.351 26.154 ( 2.058 1.503 1.824) 3.134 26.211 ( 2.791 3.427 -2.806) 5.236 26.383 ( 2.983 2.099 0.101) 3.649 26.394 ( 3.829 0.221 -0.753) 3.909 27.110 ( -2.285 10.074 1.580) 10.450 27.144 ( -1.357 9.196 -1.159) 9.368 27.424 ( -9.027 7.622 7.016) 13.741 27.564 ( -8.044 1.395 -4.684) 9.412 28.236 ( -2.931 9.499 2.579) 10.270 28.279 ( -6.268 14.795 7.847) 17.882 28.299 ( -2.755 11.163 -1.568) 11.604 28.557 ( -16.550 13.409 -14.730) 25.898 ======================= Grid point 57 (24/30) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 18.902 19.354 12.121) 29.645 2.836 ( 12.330 15.833 9.716) 22.296 2.981 ( -3.596 6.771 3.323) 8.356 3.033 ( 10.925 13.292 -4.327) 17.741 3.070 ( -8.140 8.361 -1.023) 11.714 3.159 ( 4.395 6.082 -1.987) 7.763 3.395 ( -2.323 5.851 -7.474) 9.772 3.480 ( -7.196 13.584 -7.392) 17.057 3.597 ( 4.603 6.988 7.323) 11.120 3.769 ( -1.853 8.443 3.518) 9.332 3.797 ( 0.304 6.722 -5.765) 8.861 3.905 ( -1.351 4.539 0.685) 4.785 4.044 ( 2.548 3.379 2.529) 4.930 4.078 ( 1.883 1.317 0.058) 2.298 4.125 ( 0.365 6.041 1.982) 6.368 4.172 ( -3.308 3.270 -0.995) 4.756 4.320 ( 6.303 5.460 -0.934) 8.391 4.331 ( 5.228 5.318 -1.265) 7.563 4.387 ( -2.702 4.773 3.570) 6.544 4.462 ( -3.004 5.116 -2.804) 6.562 4.654 ( 14.513 18.357 7.381) 24.538 4.718 ( 7.625 3.322 5.801) 10.141 4.788 ( 0.957 8.716 6.472) 10.898 4.861 ( 4.135 2.986 -3.278) 6.063 4.891 ( 2.096 4.082 0.278) 4.597 4.902 ( 1.270 -1.396 -1.908) 2.684 5.006 ( 0.869 -2.072 -1.358) 2.625 5.112 ( -0.725 -3.442 -8.333) 9.045 5.149 ( -0.826 4.323 3.429) 5.579 5.190 ( -1.228 7.136 4.448) 8.498 5.270 ( 6.700 2.103 -2.151) 7.344 5.344 ( -0.494 3.132 -3.391) 4.642 5.396 ( 4.150 3.215 -1.708) 5.521 5.466 ( 2.437 1.608 2.462) 3.819 5.542 ( 2.157 12.170 -2.627) 12.636 5.665 ( -0.878 2.907 1.853) 3.557 5.736 ( 2.850 9.712 -2.528) 10.432 5.780 ( 4.672 7.854 -0.486) 9.151 5.802 ( 2.693 8.868 -0.029) 9.268 5.855 ( -0.171 6.437 -0.669) 6.474 5.886 ( -4.572 -1.678 5.051) 7.017 5.934 ( -3.382 2.339 3.111) 5.157 5.995 ( -3.100 1.628 1.317) 3.741 6.064 ( -0.313 2.189 -4.749) 5.239 6.128 ( 2.310 2.721 4.061) 5.406 6.176 ( -1.923 -3.427 -1.960) 4.392 6.224 ( 0.690 1.189 2.532) 2.881 6.285 ( -3.131 -0.164 0.425) 3.164 6.381 ( -0.462 5.502 5.484) 7.781 6.394 ( -2.958 7.075 3.158) 8.293 6.452 ( 3.659 1.480 4.455) 5.952 6.563 ( -8.908 17.731 0.420) 19.848 6.644 ( -5.376 6.511 1.231) 8.533 6.676 ( 2.084 11.191 0.540) 11.396 6.750 ( -4.591 15.255 -2.329) 16.100 6.789 ( -1.981 5.616 -3.545) 6.930 6.837 ( -2.161 8.718 -9.804) 13.296 6.940 ( 1.229 2.870 -2.721) 4.141 7.016 ( 5.088 7.081 -7.342) 11.399 7.087 ( 1.718 7.304 -5.737) 9.445 7.209 ( 5.061 1.432 0.845) 5.327 7.228 ( -0.258 3.414 4.394) 5.570 7.280 ( 1.360 2.916 0.598) 3.273 7.322 ( -2.138 -2.351 -1.304) 3.435 7.336 ( -5.916 -1.021 -1.018) 6.089 7.376 ( -3.173 3.977 -0.043) 5.088 7.443 ( -3.133 0.647 -1.048) 3.367 7.475 ( -8.866 1.175 -8.962) 12.662 7.622 ( -4.534 -1.233 0.911) 4.786 7.652 ( -4.350 1.763 -6.503) 8.020 7.707 ( 1.651 -1.085 -2.773) 3.405 7.773 ( -3.338 1.759 -7.917) 8.770 7.926 ( -1.274 7.156 -0.183) 7.271 7.955 ( -3.828 10.053 3.058) 11.183 7.985 ( -0.902 4.730 -3.329) 5.854 8.028 ( -1.808 9.404 -1.722) 9.730 8.180 ( 3.112 4.761 5.110) 7.646 8.263 ( -1.164 2.324 1.782) 3.151 8.286 ( 0.137 6.287 1.293) 6.420 8.380 ( -7.794 4.804 -2.154) 9.405 8.451 ( -0.003 0.312 5.407) 5.416 8.510 ( -0.515 -6.128 3.631) 7.142 8.523 ( 4.607 -1.949 0.319) 5.013 8.535 ( -0.439 -5.304 1.411) 5.506 8.632 ( 1.346 -3.376 -2.340) 4.322 8.646 ( 8.405 -6.831 -2.949) 11.225 8.744 ( 2.683 -0.458 3.801) 4.675 8.782 ( -1.353 -3.369 1.947) 4.120 8.838 ( -0.950 -4.677 -3.507) 5.923 8.857 ( -5.016 -3.260 -4.571) 7.529 8.960 ( -12.072 5.759 3.739) 13.888 9.066 ( -13.130 2.393 -3.724) 13.856 9.323 ( 6.728 -6.256 0.697) 9.213 9.374 ( 8.675 -7.043 -4.477) 12.038 9.405 ( 1.693 -5.329 6.200) 8.349 9.553 ( -4.063 -6.876 -6.847) 10.520 9.765 ( 5.916 2.242 4.094) 7.535 9.813 ( 1.907 1.425 -0.172) 2.387 9.936 ( -3.393 -0.947 6.080) 7.027 10.034 ( -6.571 -0.648 -2.308) 6.994 10.146 ( 4.014 0.197 4.047) 5.703 10.218 ( -1.408 -3.067 2.685) 4.313 10.250 ( 3.716 -1.291 0.861) 4.027 10.312 ( 1.047 -4.104 -1.795) 4.601 10.439 ( 0.663 -1.526 14.120) 14.218 10.459 ( -2.621 0.446 10.143) 10.486 10.733 ( 8.688 -2.113 -7.807) 11.870 10.872 ( -2.094 -4.213 -14.411) 15.159 11.017 ( -1.035 -8.620 5.762) 10.420 11.058 ( -3.084 -9.758 12.228) 15.945 11.124 ( 3.078 -17.014 -2.444) 17.462 11.289 ( -8.717 -13.318 -8.614) 18.098 11.405 ( 0.095 -1.362 16.376) 16.433 11.487 ( -6.828 -5.221 17.574) 19.564 11.816 ( 2.096 -4.149 7.712) 9.005 11.874 ( -1.874 -1.869 -2.647) 3.743 11.895 ( -0.942 -3.917 -3.119) 5.095 11.947 ( -3.675 0.430 -12.220) 12.768 12.053 ( 1.610 -3.070 -17.055) 17.404 12.117 ( -3.872 0.659 -17.943) 18.368 12.487 ( 9.382 -7.851 7.707) 14.459 12.622 ( -2.994 -8.170 6.218) 10.695 12.754 ( 6.160 -4.715 -13.363) 15.452 12.809 ( -0.058 -6.523 0.048) 6.524 12.848 ( 3.270 -5.186 -4.005) 7.323 12.919 ( -2.405 -5.064 -2.257) 6.044 12.978 ( 0.600 -7.432 -6.931) 10.180 12.987 ( -0.061 -6.727 -5.812) 8.890 13.275 ( 3.466 -2.714 12.868) 13.601 13.312 ( 2.225 1.502 6.463) 6.999 13.377 ( 2.497 -4.448 2.137) 5.531 13.452 ( -1.101 1.489 -1.079) 2.144 13.483 ( 3.396 -3.881 7.875) 9.413 13.570 ( -2.623 -2.318 8.064) 8.791 13.691 ( 0.090 -7.729 -5.661) 9.580 13.743 ( -2.447 -4.339 -5.208) 7.207 14.279 ( 15.565 5.064 7.746) 18.108 14.400 ( 10.237 3.329 5.517) 12.096 14.497 ( -4.114 -5.393 13.517) 15.124 14.730 ( -8.483 8.549 -2.314) 12.263 14.925 ( 2.544 8.567 9.567) 13.091 15.073 ( -4.927 -0.371 -6.473) 8.143 15.278 ( -1.062 -3.905 -17.407) 17.871 15.368 ( -10.260 8.218 -13.753) 19.025 15.879 ( 1.154 -5.780 6.744) 8.957 15.892 ( -0.244 -4.343 7.465) 8.640 16.086 ( 4.303 -6.377 -13.096) 15.189 16.107 ( 0.668 -3.435 -12.982) 13.445 16.375 ( 8.927 -5.270 9.319) 13.940 16.538 ( 0.603 -6.655 7.548) 10.081 16.593 ( 4.082 -7.197 -0.832) 8.316 16.758 ( -4.004 -4.826 0.678) 6.308 16.947 ( 0.253 -2.478 14.025) 14.244 17.010 ( -5.478 -3.415 2.851) 7.057 17.129 ( 0.371 -0.362 -3.384) 3.424 17.177 ( -3.136 -2.534 -4.970) 6.400 17.541 ( 1.171 4.523 1.412) 4.881 17.562 ( -0.447 2.342 0.522) 2.441 17.630 ( -2.236 2.216 -5.591) 6.417 17.642 ( -3.352 3.152 -6.289) 7.792 18.219 ( 3.510 -0.469 10.315) 10.906 18.273 ( -1.661 -1.628 11.082) 11.323 18.464 ( 5.651 -3.180 -11.344) 13.066 18.563 ( -3.657 -4.673 -14.918) 16.055 19.208 ( 7.276 -1.837 9.404) 12.031 19.366 ( -3.809 -4.273 10.211) 11.706 19.390 ( 7.101 -1.493 -2.974) 7.842 19.606 ( -9.326 -4.372 -7.726) 12.875 20.348 ( 11.933 -6.098 3.327) 13.808 20.417 ( 13.244 -7.120 -1.931) 15.161 20.594 ( -8.970 -10.551 5.342) 14.843 20.721 ( -12.726 -13.186 -4.904) 18.970 23.438 ( 5.209 1.439 2.954) 6.159 23.502 ( 1.309 -0.334 -0.853) 1.598 23.514 ( 0.006 -0.164 -0.649) 0.670 23.546 ( -0.859 -0.575 -1.738) 2.022 23.634 ( 6.402 -2.149 2.123) 7.080 23.693 ( 8.705 -3.278 -2.866) 9.734 23.784 ( -6.347 -3.908 2.976) 8.026 23.857 ( -5.785 -4.990 -3.213) 8.288 24.753 ( 1.007 -1.928 12.509) 12.696 24.777 ( -1.186 -3.216 13.379) 13.811 25.082 ( 1.513 -2.890 -16.334) 16.656 25.123 ( -2.216 -4.826 -16.865) 17.682 25.703 ( 0.266 3.302 8.084) 8.737 25.727 ( -1.774 2.503 8.190) 8.745 25.827 ( 0.416 4.263 -3.332) 5.427 25.855 ( -1.862 3.824 -3.654) 5.608 26.075 ( 2.213 3.200 1.588) 4.202 26.091 ( 1.064 4.021 1.860) 4.556 26.125 ( 1.987 6.298 -1.419) 6.754 26.150 ( 0.245 7.106 -1.712) 7.313 26.317 ( 9.019 4.449 -0.472) 10.067 26.330 ( 7.412 4.375 -1.284) 8.702 26.422 ( -0.745 4.074 0.825) 4.223 26.446 ( -0.780 4.177 -1.224) 4.422 27.077 ( 0.618 9.465 3.030) 9.957 27.136 ( 1.223 8.726 -0.653) 8.836 27.201 ( -8.342 9.526 3.468) 13.129 27.315 ( -12.363 7.130 -4.887) 15.085 28.165 ( -2.723 12.101 4.607) 13.231 28.169 ( -2.469 9.715 3.307) 10.555 28.247 ( -1.328 10.813 -3.293) 11.381 28.288 ( -6.406 13.097 -5.685) 15.649 ======================= Grid point 60 (25/30) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 0.000 20.246 10.432) 22.775 2.881 ( 0.000 16.364 11.246) 19.855 3.062 ( 0.000 9.380 -10.743) 14.262 3.064 ( 0.000 12.625 3.911) 13.217 3.168 ( 0.000 2.551 -10.436) 10.743 3.226 ( 0.000 18.396 -13.664) 22.916 3.424 ( 0.000 16.642 1.274) 16.690 3.506 ( 0.000 18.247 -5.021) 18.926 3.773 ( 0.000 -10.929 5.747) 12.348 3.929 ( 0.000 -5.486 -2.446) 6.007 3.938 ( 0.000 3.819 12.661) 13.224 3.950 ( 0.000 5.280 12.858) 13.900 3.968 ( 0.000 1.937 1.052) 2.205 4.044 ( 0.000 4.070 -4.654) 6.183 4.242 ( 0.000 -2.447 5.654) 6.161 4.278 ( 0.000 9.197 8.047) 12.220 4.323 ( 0.000 0.241 -7.138) 7.142 4.382 ( 0.000 -7.835 -3.455) 8.563 4.421 ( 0.000 0.420 -3.052) 3.080 4.451 ( 0.000 -6.681 -10.359) 12.327 4.597 ( 0.000 3.213 5.581) 6.439 4.681 ( 0.000 -2.066 -0.730) 2.191 4.711 ( 0.000 -3.118 3.872) 4.972 4.776 ( 0.000 5.535 0.224) 5.539 4.882 ( 0.000 23.101 15.071) 27.582 4.974 ( 0.000 9.547 4.394) 10.509 5.155 ( 0.000 10.775 -7.918) 13.371 5.278 ( 0.000 -0.255 2.871) 2.883 5.307 ( 0.000 14.833 -16.220) 21.980 5.362 ( 0.000 9.546 -2.966) 9.996 5.373 ( 0.000 7.253 8.654) 11.292 5.504 ( 0.000 6.156 9.677) 11.469 5.509 ( 0.000 8.467 -3.212) 9.056 5.589 ( 0.000 8.488 4.677) 9.691 5.700 ( 0.000 0.339 -1.856) 1.887 5.720 ( 0.000 2.434 14.901) 15.099 5.728 ( 0.000 5.655 5.695) 8.026 5.755 ( 0.000 6.924 -2.598) 7.396 5.809 ( 0.000 -0.163 3.954) 3.958 5.871 ( 0.000 -2.660 -4.306) 5.061 5.931 ( 0.000 9.457 -0.376) 9.465 6.070 ( 0.000 -2.039 2.248) 3.034 6.071 ( 0.000 9.119 2.871) 9.560 6.166 ( 0.000 19.061 -4.911) 19.683 6.232 ( 0.000 6.452 -12.087) 13.701 6.240 ( 0.000 11.572 5.242) 12.703 6.285 ( 0.000 -2.210 -2.528) 3.358 6.386 ( 0.000 8.295 0.520) 8.311 6.403 ( 0.000 1.490 -14.406) 14.483 6.442 ( 0.000 1.629 -2.924) 3.347 6.564 ( 0.000 -5.398 -3.659) 6.521 6.576 ( 0.000 8.320 -4.128) 9.288 6.640 ( 0.000 6.955 6.023) 9.200 6.750 ( 0.000 3.211 -2.311) 3.956 6.821 ( 0.000 -6.949 1.805) 7.180 6.876 ( 0.000 -3.825 1.138) 3.991 6.888 ( 0.000 -7.056 -0.265) 7.061 6.942 ( 0.000 -15.645 3.421) 16.015 6.953 ( 0.000 -13.865 -1.075) 13.907 7.015 ( 0.000 3.009 -7.418) 8.006 7.035 ( 0.000 -12.638 -3.152) 13.025 7.149 ( 0.000 -15.349 -6.236) 16.568 7.297 ( 0.000 0.724 0.123) 0.734 7.363 ( 0.000 2.690 -4.197) 4.985 7.396 ( 0.000 -0.216 -1.134) 1.155 7.416 ( 0.000 -6.792 -3.921) 7.842 7.625 ( 0.000 -20.545 3.677) 20.871 7.734 ( 0.000 13.148 5.914) 14.417 7.739 ( 0.000 -16.271 -6.727) 17.606 7.854 ( 0.000 13.891 -4.656) 14.651 8.005 ( 0.000 11.522 6.233) 13.100 8.036 ( 0.000 -9.790 6.778) 11.907 8.055 ( 0.000 10.458 3.733) 11.105 8.139 ( 0.000 19.977 3.972) 20.368 8.173 ( 0.000 -8.083 -5.180) 9.601 8.231 ( 0.000 2.541 -2.750) 3.744 8.319 ( 0.000 13.596 -1.384) 13.667 8.354 ( 0.000 -9.161 4.618) 10.259 8.384 ( 0.000 -12.080 1.718) 12.202 8.405 ( 0.000 9.799 -8.177) 12.762 8.496 ( 0.000 -5.294 -4.620) 7.027 8.530 ( 0.000 -7.599 -3.558) 8.391 8.625 ( 0.000 13.525 4.021) 14.110 8.645 ( 0.000 1.125 6.855) 6.947 8.710 ( 0.000 5.732 -1.842) 6.021 8.731 ( 0.000 6.376 -1.109) 6.472 8.761 ( 0.000 -1.991 -0.535) 2.062 8.813 ( 0.000 11.278 -9.706) 14.879 8.821 ( 0.000 -7.968 -3.484) 8.697 8.903 ( 0.000 -5.482 -3.380) 6.440 8.997 ( 0.000 -4.335 0.300) 4.345 9.046 ( 0.000 -4.682 -5.014) 6.860 9.115 ( 0.000 6.080 9.049) 10.902 9.281 ( 0.000 6.451 -4.664) 7.960 9.539 ( 0.000 3.568 9.324) 9.984 9.548 ( 0.000 1.753 1.730) 2.463 9.568 ( 0.000 -4.296 0.717) 4.356 9.662 ( 0.000 7.229 -3.488) 8.026 9.827 ( 0.000 -6.404 4.043) 7.574 9.828 ( 0.000 0.679 15.048) 15.063 9.915 ( 0.000 -5.835 -3.504) 6.806 10.069 ( 0.000 1.208 -4.455) 4.616 10.189 ( 0.000 -17.544 1.932) 17.650 10.256 ( 0.000 -8.047 -2.399) 8.397 10.417 ( 0.000 8.958 4.116) 9.858 10.499 ( 0.000 12.168 -3.140) 12.566 10.610 ( 0.000 -8.040 15.176) 17.174 10.723 ( 0.000 6.514 5.022) 8.225 10.862 ( 0.000 2.504 -7.421) 7.832 10.932 ( 0.000 -5.806 -6.838) 8.970 11.211 ( 0.000 -4.660 12.585) 13.420 11.460 ( 0.000 -11.890 -6.447) 13.525 11.597 ( 0.000 -5.503 14.644) 15.644 11.688 ( 0.000 -1.088 11.934) 11.984 11.884 ( 0.000 -1.787 -3.046) 3.532 11.958 ( 0.000 0.206 -3.790) 3.796 11.963 ( 0.000 -2.899 -0.204) 2.906 12.155 ( 0.000 -1.382 -2.732) 3.062 12.156 ( 0.000 -2.830 -11.074) 11.430 12.223 ( 0.000 -13.070 -2.104) 13.239 12.397 ( 0.000 -8.333 9.251) 12.451 12.434 ( 0.000 -8.034 -2.786) 8.503 12.540 ( 0.000 4.922 -8.822) 10.103 12.562 ( 0.000 3.368 6.425) 7.254 12.681 ( 0.000 -6.167 -2.874) 6.804 12.723 ( 0.000 1.311 -8.464) 8.565 12.744 ( 0.000 -5.547 -11.337) 12.622 12.850 ( 0.000 -2.377 -20.116) 20.256 13.135 ( 0.000 9.259 10.317) 13.862 13.329 ( 0.000 -0.956 10.661) 10.704 13.380 ( 0.000 -0.889 18.855) 18.876 13.385 ( 0.000 11.961 -9.205) 15.093 13.412 ( 0.000 1.486 4.072) 4.334 13.533 ( 0.000 -1.618 4.959) 5.216 13.749 ( 0.000 -1.875 -7.977) 8.195 13.757 ( 0.000 -8.637 -8.057) 11.812 13.788 ( 0.000 13.289 8.218) 15.625 13.929 ( 0.000 11.939 -4.489) 12.755 14.663 ( 0.000 -2.182 14.071) 14.239 14.773 ( 0.000 -26.180 2.119) 26.265 14.775 ( 0.000 -3.966 13.298) 13.876 14.930 ( 0.000 -25.957 0.036) 25.957 15.097 ( 0.000 -4.254 -14.180) 14.804 15.177 ( 0.000 -7.303 -19.354) 20.686 15.611 ( 0.000 2.662 10.477) 10.810 15.771 ( 0.000 -5.539 9.945) 11.383 15.934 ( 0.000 6.024 -16.267) 17.346 16.061 ( 0.000 -2.235 -16.273) 16.426 16.313 ( 0.000 4.429 11.788) 12.593 16.544 ( 0.000 -5.594 15.730) 16.696 16.659 ( 0.000 6.617 -15.631) 16.974 16.781 ( 0.000 -0.486 3.840) 3.871 16.988 ( 0.000 -2.752 -2.493) 3.713 17.002 ( 0.000 -3.472 15.588) 15.970 17.144 ( 0.000 -0.111 -7.226) 7.227 17.233 ( 0.000 -3.447 -3.784) 5.119 17.609 ( 0.000 1.045 5.970) 6.060 17.625 ( 0.000 1.768 7.104) 7.321 17.766 ( 0.000 1.615 -7.457) 7.630 17.807 ( 0.000 0.879 -8.311) 8.357 18.109 ( 0.000 3.693 6.723) 7.670 18.240 ( 0.000 3.923 -4.937) 6.306 18.271 ( 0.000 -3.639 8.957) 9.668 18.503 ( 0.000 -8.059 -12.484) 14.859 19.084 ( 0.000 3.662 5.293) 6.436 19.197 ( 0.000 6.418 -4.250) 7.698 19.351 ( 0.000 -9.593 13.889) 16.880 19.610 ( 0.000 -13.519 -8.960) 16.219 20.099 ( 0.000 9.133 1.453) 9.248 20.131 ( 0.000 10.016 -1.189) 10.087 20.543 ( 0.000 -12.796 5.566) 13.955 20.669 ( 0.000 -17.092 -4.968) 17.800 23.366 ( 0.000 9.351 1.611) 9.489 23.405 ( 0.000 9.348 -1.594) 9.483 23.505 ( 0.000 0.034 0.805) 0.806 23.525 ( 0.000 0.007 -0.892) 0.893 23.525 ( 0.000 -0.619 0.630) 0.883 23.543 ( 0.000 -0.544 -0.884) 1.038 23.773 ( 0.000 -9.037 1.915) 9.237 23.814 ( 0.000 -9.150 -1.537) 9.278 24.721 ( 0.000 -0.060 11.303) 11.303 24.750 ( 0.000 -1.751 12.061) 12.188 25.035 ( 0.000 -0.121 -16.335) 16.335 25.087 ( 0.000 -3.365 -17.660) 17.978 25.805 ( 0.000 0.897 11.289) 11.325 25.823 ( 0.000 1.851 11.637) 11.783 25.969 ( 0.000 4.466 0.644) 4.512 25.991 ( 0.000 2.194 -5.827) 6.226 26.029 ( 0.000 0.676 -2.811) 2.891 26.064 ( 0.000 6.156 -3.602) 7.132 26.124 ( 0.000 5.704 1.227) 5.835 26.148 ( 0.000 5.448 -1.064) 5.551 26.249 ( 0.000 3.545 1.290) 3.773 26.252 ( 0.000 -3.537 3.456) 4.945 26.293 ( 0.000 3.957 -2.664) 4.770 26.348 ( 0.000 -0.562 -4.520) 4.555 27.349 ( 0.000 9.294 0.650) 9.317 27.357 ( 0.000 9.364 0.197) 9.366 27.586 ( 0.000 -0.524 1.898) 1.969 27.611 ( 0.000 -3.222 -0.238) 3.231 28.462 ( 0.000 8.254 3.607) 9.007 28.550 ( 0.000 10.296 -3.782) 10.968 28.573 ( 0.000 4.629 9.874) 10.905 28.834 ( 0.000 -2.270 -11.935) 12.149 ======================= Grid point 61 (26/30) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 7.042 20.367 8.827) 23.288 2.947 ( 5.081 13.104 6.891) 15.653 3.076 ( 2.765 5.132 1.655) 6.060 3.134 ( 2.648 8.036 -2.460) 8.811 3.173 ( 0.230 5.772 -6.479) 8.681 3.277 ( 7.659 17.423 -15.263) 24.396 3.491 ( 4.406 16.787 6.527) 18.542 3.667 ( 11.054 16.322 -6.116) 20.640 3.749 ( -2.319 -4.528 4.157) 6.570 3.913 ( -2.375 -2.509 -5.976) 6.902 3.922 ( 0.434 0.528 7.925) 7.955 3.961 ( 1.559 0.504 8.641) 8.795 4.025 ( -0.110 3.555 -1.768) 3.972 4.036 ( 4.039 6.723 4.429) 9.007 4.239 ( -2.944 1.750 2.126) 4.031 4.286 ( 2.706 4.936 3.802) 6.793 4.349 ( 3.214 3.005 -1.060) 4.526 4.376 ( -0.447 -0.534 -1.259) 1.439 4.431 ( 0.395 -2.216 -0.059) 2.252 4.480 ( 1.713 -1.570 -7.763) 8.103 4.565 ( -0.831 -7.571 5.515) 9.404 4.665 ( -0.787 -4.211 -0.744) 4.348 4.793 ( 5.926 -3.329 2.324) 7.183 4.810 ( 4.111 -1.615 0.181) 4.420 4.894 ( 0.616 13.225 7.563) 15.248 5.000 ( -1.940 6.777 1.590) 7.226 5.126 ( -2.451 10.000 -5.006) 11.448 5.162 ( -2.180 6.914 7.813) 10.658 5.213 ( -4.982 10.663 -6.157) 13.283 5.317 ( -1.334 4.186 -4.803) 6.510 5.350 ( -6.307 1.583 3.639) 7.452 5.446 ( -5.803 5.568 -1.392) 8.162 5.472 ( -2.216 3.580 6.811) 8.007 5.588 ( -0.490 3.436 1.036) 3.622 5.709 ( 5.089 8.387 -4.061) 10.617 5.723 ( 3.939 5.314 -0.144) 6.616 5.794 ( 0.494 -1.110 7.017) 7.122 5.843 ( -1.345 -1.431 2.017) 2.815 5.879 ( -0.591 -2.353 -2.239) 3.301 5.926 ( 5.642 9.693 3.382) 11.714 5.976 ( 3.007 11.037 -0.334) 11.444 6.061 ( -2.544 1.790 -2.699) 4.118 6.123 ( 4.404 12.106 3.598) 13.375 6.146 ( 2.148 8.676 -2.857) 9.383 6.178 ( -1.107 6.116 2.559) 6.721 6.269 ( 0.322 1.433 3.582) 3.872 6.309 ( 0.885 7.636 3.066) 8.276 6.379 ( -2.883 5.314 2.590) 6.577 6.396 ( -3.234 1.811 2.420) 4.427 6.454 ( -0.944 3.141 -0.904) 3.403 6.519 ( 6.696 12.577 -11.017) 18.011 6.619 ( 5.224 8.320 -7.970) 12.650 6.667 ( 0.615 -0.881 0.719) 1.293 6.729 ( -2.391 -6.856 6.918) 10.029 6.757 ( 1.655 -2.356 -4.724) 5.532 6.900 ( 1.237 -6.657 -8.301) 10.712 6.928 ( 6.565 -4.597 -1.009) 8.078 6.942 ( 2.432 3.734 -7.744) 8.935 6.971 ( 3.019 -4.641 -4.186) 6.941 7.071 ( 5.092 -3.481 -7.560) 9.757 7.173 ( 6.453 -10.302 5.564) 13.369 7.275 ( 1.090 -6.845 3.058) 7.575 7.297 ( 2.760 -2.601 -2.603) 4.600 7.355 ( 1.690 0.847 -3.206) 3.722 7.408 ( 0.133 -3.016 -2.050) 3.649 7.426 ( 1.003 -2.062 -3.255) 3.982 7.582 ( -4.715 -1.451 0.179) 4.936 7.649 ( -3.407 -2.050 -5.338) 6.656 7.828 ( 0.145 2.435 5.560) 6.071 7.894 ( -10.778 5.098 -1.290) 11.992 7.910 ( -6.192 -0.967 3.378) 7.119 7.989 ( -1.652 2.946 1.764) 3.811 8.011 ( -8.240 8.739 1.059) 12.057 8.114 ( 0.857 3.074 3.169) 4.498 8.139 ( 7.024 8.065 -0.354) 10.701 8.216 ( -4.019 1.838 -7.707) 8.885 8.239 ( -1.289 1.323 -1.249) 2.230 8.291 ( -2.305 2.666 -1.853) 3.982 8.346 ( -3.341 1.519 -0.424) 3.694 8.439 ( -1.426 -3.242 -5.420) 6.475 8.450 ( -1.589 -0.779 2.982) 3.468 8.516 ( -4.093 3.143 0.423) 5.178 8.528 ( -6.092 6.672 5.311) 10.480 8.565 ( -5.148 -0.161 -4.535) 6.862 8.631 ( -5.941 2.863 4.433) 7.947 8.688 ( -5.630 6.351 -0.394) 8.496 8.716 ( -5.498 0.497 -4.874) 7.365 8.787 ( -2.056 -2.641 -7.543) 8.253 8.812 ( -1.723 -6.028 1.884) 6.547 8.913 ( -2.136 -0.475 -0.186) 2.196 8.931 ( 4.564 -5.838 2.887) 7.953 9.005 ( 5.706 -0.970 -6.399) 8.628 9.168 ( 6.940 -2.661 4.225) 8.549 9.255 ( -0.520 3.952 -2.293) 4.599 9.522 ( -4.473 9.000 9.601) 13.899 9.580 ( -7.293 10.787 2.275) 13.219 9.749 ( 7.778 -3.129 2.089) 8.640 9.775 ( -3.633 -7.409 1.894) 8.466 9.804 ( 13.085 -0.647 4.055) 13.714 9.927 ( 3.080 -2.930 -4.993) 6.558 9.959 ( 10.215 -1.319 3.680) 10.937 10.103 ( 4.983 -2.385 -4.708) 7.259 10.221 ( -0.544 -11.859 1.310) 11.944 10.259 ( 3.961 -9.266 -1.071) 10.134 10.424 ( 0.848 9.242 7.555) 11.967 10.527 ( -5.340 6.189 7.599) 11.161 10.542 ( 2.079 -1.131 1.639) 2.879 10.713 ( 0.196 3.490 -0.437) 3.523 10.878 ( -0.868 -1.438 -2.116) 2.701 10.929 ( -1.056 -6.122 2.919) 6.864 11.178 ( -3.117 -2.277 4.366) 5.828 11.392 ( -5.881 -6.408 -5.869) 10.493 11.466 ( -10.226 -5.744 14.214) 18.428 11.628 ( -8.731 -2.171 8.192) 12.168 11.747 ( -12.315 -7.378 -3.975) 14.896 11.849 ( -7.109 -10.728 -7.326) 14.809 11.954 ( -7.567 -4.025 2.851) 9.033 12.021 ( -10.713 -0.120 4.149) 11.489 12.070 ( -0.073 -1.659 -1.184) 2.039 12.188 ( 1.310 2.996 -3.337) 4.672 12.318 ( -2.595 1.243 -2.562) 3.853 12.473 ( 3.216 -5.112 7.647) 9.745 12.532 ( 2.625 -0.944 -13.800) 14.079 12.611 ( 3.314 -6.737 3.317) 8.208 12.686 ( 1.224 -1.669 -5.581) 5.952 12.789 ( 2.292 -5.754 -5.759) 8.457 12.821 ( 2.438 -5.047 -19.722) 20.503 12.848 ( 0.914 -6.452 -8.274) 10.532 13.110 ( 0.623 -1.365 6.214) 6.393 13.245 ( -3.873 -0.987 -3.831) 5.536 13.339 ( -3.291 -1.042 13.970) 14.390 13.427 ( 2.088 -0.163 10.893) 11.092 13.473 ( 5.376 1.872 3.779) 6.832 13.555 ( -0.087 0.746 2.259) 2.381 13.612 ( -6.784 -5.550 -5.738) 10.476 13.666 ( -5.741 -7.699 -5.501) 11.068 14.089 ( 17.924 11.352 5.926) 22.029 14.226 ( 19.841 12.816 -0.768) 23.633 14.485 ( -7.791 -7.904 13.029) 17.115 14.750 ( 7.390 3.207 3.832) 8.921 14.893 ( 1.944 -8.005 -11.287) 13.974 15.077 ( 7.114 -4.338 2.354) 8.658 15.211 ( 3.274 -7.834 -5.561) 10.150 15.426 ( 20.469 -15.558 -5.813) 26.359 15.669 ( 6.183 -1.684 5.192) 8.248 15.788 ( 1.658 -4.591 9.875) 11.015 15.881 ( -4.864 7.930 -13.112) 16.077 16.057 ( -0.547 -1.760 -14.255) 14.374 16.282 ( -1.576 2.918 7.163) 7.894 16.503 ( -4.128 -2.348 8.867) 10.059 16.570 ( -6.047 3.001 -6.083) 9.087 16.761 ( -2.818 -2.255 -1.690) 3.985 16.904 ( -2.100 -2.972 14.816) 15.257 17.041 ( -1.573 -2.562 1.896) 3.554 17.131 ( -1.160 -0.862 -4.320) 4.555 17.189 ( -3.175 -2.641 -4.860) 6.378 17.593 ( -0.546 0.978 3.914) 4.071 17.613 ( -1.057 1.639 5.706) 6.030 17.721 ( -3.071 1.267 -6.725) 7.501 17.771 ( -3.599 0.618 -7.375) 8.230 18.153 ( 3.197 2.148 7.219) 8.182 18.252 ( -0.226 -1.827 6.929) 7.170 18.312 ( 4.159 0.297 -4.216) 5.930 18.492 ( -1.001 -7.035 -12.292) 14.198 19.112 ( 2.491 2.686 6.837) 7.757 19.256 ( 5.043 4.913 -5.447) 8.902 19.330 ( -1.871 -7.852 13.600) 15.815 19.586 ( -2.224 -10.453 -8.938) 13.931 20.151 ( 4.400 5.500 1.837) 7.279 20.186 ( 4.762 5.751 -1.057) 7.541 20.504 ( -3.418 -11.307 4.774) 12.741 20.614 ( -4.731 -14.930 -4.386) 16.264 23.412 ( 3.614 7.173 1.917) 8.258 23.459 ( 3.784 6.031 -1.960) 7.385 23.519 ( 0.681 -0.235 0.584) 0.928 23.531 ( 1.174 -0.231 1.076) 1.609 23.540 ( 0.600 -0.408 -1.179) 1.385 23.553 ( 1.998 0.103 -0.792) 2.152 23.754 ( -1.777 -7.819 2.139) 8.299 23.802 ( -1.225 -8.035 -1.877) 8.342 24.723 ( 0.192 -0.198 11.275) 11.278 24.746 ( -0.312 -1.525 11.848) 11.950 25.037 ( 0.170 -0.396 -16.351) 16.357 25.077 ( -0.831 -2.879 -17.308) 17.566 25.784 ( -1.159 2.042 10.386) 10.649 25.817 ( -1.179 2.583 10.884) 11.248 25.916 ( -2.664 2.508 -0.183) 3.664 25.959 ( -2.759 2.132 -3.603) 5.014 26.025 ( 0.935 0.008 -0.090) 0.939 26.097 ( 2.766 2.561 -3.071) 4.862 26.141 ( -0.687 -1.138 1.163) 1.766 26.254 ( 3.951 3.708 -4.712) 7.181 26.259 ( 6.387 7.226 1.174) 9.715 26.294 ( 6.194 6.354 -2.803) 9.306 26.418 ( 7.755 1.736 0.520) 7.964 26.435 ( 5.911 2.248 -0.731) 6.366 27.309 ( -3.330 8.771 1.234) 9.463 27.327 ( -2.293 8.292 0.034) 8.603 27.506 ( -6.838 0.766 2.508) 7.324 27.552 ( -5.324 -2.272 -1.287) 5.930 28.419 ( -3.530 7.683 3.554) 9.172 28.491 ( -6.069 6.153 6.291) 10.690 28.507 ( -3.836 8.615 -2.360) 9.721 28.694 ( -10.835 1.449 -9.234) 14.309 ======================= Grid point 62 (27/30) ======================= q-point: ( 0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 4.413 9.912 2.848) 11.218 3.055 ( 3.675 9.436 3.396) 10.680 3.123 ( 0.913 7.010 -2.738) 7.580 3.151 ( 0.207 2.994 -1.518) 3.364 3.271 ( 6.949 9.237 4.113) 12.269 3.417 ( -1.937 16.757 7.683) 18.536 3.533 ( 4.600 7.558 -10.547) 13.767 3.694 ( -5.755 4.277 -9.757) 12.108 3.805 ( 5.013 11.855 8.507) 15.429 3.915 ( 0.497 0.110 3.958) 3.991 3.930 ( 0.675 3.755 2.120) 4.365 3.974 ( -2.770 3.896 4.871) 6.825 4.084 ( 5.011 3.110 1.810) 6.169 4.112 ( 3.276 3.957 -0.540) 5.166 4.240 ( 2.007 7.619 2.590) 8.294 4.285 ( -2.468 5.267 0.800) 5.871 4.375 ( 0.575 0.389 1.784) 1.914 4.398 ( -0.063 -0.661 4.151) 4.204 4.464 ( 3.178 5.033 -3.468) 6.889 4.505 ( -0.132 -0.625 -3.416) 3.476 4.630 ( 5.899 -12.103 -0.317) 13.468 4.661 ( 3.389 -4.858 -1.818) 6.196 4.752 ( -6.992 -3.058 2.551) 8.046 4.859 ( -8.276 -5.166 -5.425) 11.163 4.947 ( 4.939 -0.699 5.176) 7.189 4.984 ( 2.231 1.577 5.105) 5.790 5.107 ( 2.443 6.701 -2.368) 7.515 5.167 ( -1.121 5.852 -7.025) 9.211 5.197 ( 2.626 3.992 6.439) 8.018 5.296 ( -1.912 0.400 0.747) 2.091 5.326 ( 7.474 0.815 2.550) 7.939 5.364 ( -0.518 1.114 -2.705) 2.971 5.440 ( -0.778 2.891 -0.483) 3.033 5.521 ( -4.419 2.280 -2.660) 5.639 5.624 ( -7.040 -4.857 -1.985) 8.781 5.678 ( -8.805 0.334 -4.066) 9.704 5.847 ( 2.791 0.566 2.240) 3.623 5.853 ( 3.023 3.632 1.577) 4.981 5.929 ( 2.025 6.067 5.503) 8.437 5.969 ( 0.065 3.714 -3.113) 4.846 5.981 ( -3.007 2.556 -3.552) 5.310 6.007 ( 1.090 9.411 3.655) 10.154 6.087 ( -3.952 2.300 1.256) 4.742 6.134 ( -4.246 3.436 -2.035) 5.829 6.195 ( 1.615 6.451 7.034) 9.680 6.248 ( -2.661 -0.081 5.333) 5.961 6.298 ( 1.826 5.422 0.284) 5.728 6.350 ( -0.736 12.697 0.799) 12.743 6.488 ( 6.479 9.377 11.237) 16.005 6.567 ( 8.531 9.602 2.731) 13.132 6.601 ( 2.854 10.995 2.524) 11.637 6.718 ( 4.235 0.694 0.042) 4.291 6.737 ( 2.337 2.857 -5.582) 6.692 6.831 ( 1.633 -0.186 1.864) 2.485 6.847 ( 7.589 3.810 -0.549) 8.509 6.913 ( -2.159 -0.801 -8.083) 8.404 7.000 ( 5.694 4.549 -7.406) 10.390 7.069 ( 4.706 -5.784 -4.444) 8.680 7.126 ( 3.292 -1.072 -1.250) 3.681 7.167 ( 4.541 7.591 3.257) 9.426 7.201 ( -3.870 -2.688 -3.221) 5.708 7.256 ( 4.234 -3.666 -1.760) 5.871 7.316 ( 0.517 1.824 -1.360) 2.333 7.363 ( -2.830 6.304 -1.520) 7.075 7.387 ( -0.731 0.217 -5.896) 5.945 7.437 ( -4.929 2.273 -5.377) 7.640 7.485 ( -11.948 3.262 -1.683) 12.499 7.560 ( 6.829 4.632 3.360) 8.910 7.601 ( -19.469 14.565 -13.433) 27.778 7.689 ( 5.883 2.572 -5.065) 8.178 7.737 ( -6.402 1.346 0.038) 6.542 7.864 ( -6.036 4.027 -6.262) 9.584 8.081 ( 1.546 1.665 1.927) 2.979 8.102 ( 3.905 0.678 0.815) 4.046 8.181 ( -3.833 6.094 0.700) 7.233 8.194 ( -3.493 7.959 -0.047) 8.692 8.221 ( 0.481 -5.024 0.431) 5.065 8.245 ( 1.408 -3.580 -1.522) 4.137 8.290 ( 0.109 -5.009 3.770) 6.270 8.363 ( -7.231 3.834 -0.120) 8.186 8.398 ( -2.268 2.386 2.163) 3.939 8.441 ( 0.337 -0.826 -4.231) 4.324 8.450 ( -7.466 0.275 -2.187) 7.785 8.499 ( 0.301 -3.413 -0.709) 3.499 8.556 ( 1.892 1.635 2.910) 3.837 8.617 ( 3.129 2.259 -0.332) 3.874 8.677 ( -4.606 -7.999 -0.595) 9.249 8.716 ( -4.373 -4.572 -3.615) 7.287 8.819 ( 6.350 3.022 5.361) 8.843 8.910 ( 8.892 11.586 -3.858) 15.106 9.028 ( -5.209 -0.235 8.956) 10.363 9.136 ( -1.764 -1.264 -1.305) 2.532 9.265 ( -1.389 2.245 -1.424) 2.999 9.293 ( 6.011 0.779 -2.277) 6.475 9.379 ( -2.477 1.800 6.385) 7.081 9.536 ( -4.259 2.836 -5.191) 7.289 9.696 ( 10.577 -5.490 8.825) 14.829 9.842 ( 5.488 0.249 -4.133) 6.875 9.962 ( -4.693 -0.062 4.788) 6.705 10.045 ( -0.447 1.617 -1.689) 2.381 10.127 ( 2.767 -6.119 1.512) 6.884 10.147 ( 1.211 -3.443 -1.016) 3.788 10.230 ( 1.586 -2.800 -2.873) 4.314 10.298 ( -3.476 0.999 -3.274) 4.878 10.451 ( 6.338 7.241 13.092) 16.248 10.508 ( 5.684 5.251 11.592) 13.938 10.652 ( 0.300 -1.519 2.769) 3.173 10.737 ( 0.249 -0.881 -4.594) 4.684 10.767 ( -1.113 -8.744 9.277) 12.797 10.909 ( 0.103 -6.080 3.968) 7.261 11.010 ( -9.995 2.450 -7.660) 12.828 11.136 ( -16.960 -1.709 -8.873) 19.217 11.329 ( -1.955 -7.051 11.362) 13.514 11.357 ( -6.022 -9.205 12.065) 16.327 11.598 ( -2.563 -20.111 -5.203) 20.931 11.639 ( -7.230 -18.085 -6.436) 20.512 11.866 ( 0.663 0.466 7.495) 7.539 11.907 ( -3.023 0.585 6.363) 7.069 12.107 ( 2.483 3.304 -8.467) 9.422 12.169 ( -2.713 2.544 -10.889) 11.506 12.389 ( 5.818 -0.310 6.423) 8.672 12.484 ( -2.265 -5.010 8.590) 10.199 12.607 ( 3.448 -7.034 -7.597) 10.913 12.658 ( -0.169 -7.429 0.212) 7.434 12.724 ( 2.277 -6.172 -5.240) 8.410 12.781 ( -2.375 -7.119 -4.769) 8.892 12.827 ( 1.080 -5.428 -13.662) 14.740 12.867 ( -1.282 -5.389 -12.268) 13.461 13.174 ( 3.778 -5.244 1.823) 6.715 13.233 ( 1.630 -6.048 -0.386) 6.276 13.259 ( -1.449 -5.034 2.067) 5.631 13.377 ( -7.381 -4.266 -4.098) 9.459 13.516 ( 2.142 -1.259 7.677) 8.068 13.541 ( 0.741 1.979 7.688) 7.973 13.610 ( 2.819 -0.691 1.719) 3.373 13.642 ( -0.391 -3.120 -1.795) 3.620 14.315 ( 4.737 -0.078 13.487) 14.295 14.383 ( -2.451 -1.922 15.443) 15.754 14.652 ( 15.146 10.323 -7.648) 19.861 14.826 ( -1.841 0.605 -21.982) 22.067 15.044 ( 7.719 4.711 2.753) 9.452 15.175 ( -2.096 6.157 18.739) 19.836 15.296 ( 11.789 7.945 -9.338) 17.009 15.594 ( -8.893 8.136 -8.819) 14.935 15.792 ( 0.695 -0.733 3.361) 3.509 15.824 ( -0.148 -1.877 7.336) 7.573 15.913 ( 11.784 -9.949 -8.582) 17.650 16.038 ( -1.401 -3.501 -12.807) 13.351 16.304 ( 3.765 -1.616 4.647) 6.195 16.420 ( -4.280 -5.312 9.953) 12.066 16.476 ( 1.776 -2.822 -5.422) 6.365 16.643 ( -8.187 -6.349 -4.597) 11.335 16.896 ( 0.944 -1.958 13.971) 14.139 16.954 ( -4.511 -1.938 8.187) 9.546 17.107 ( -0.410 -1.278 -3.778) 4.009 17.128 ( -2.192 -2.065 -5.518) 6.286 17.597 ( 0.762 1.240 0.944) 1.735 17.602 ( 0.398 1.568 0.908) 1.855 17.660 ( -2.009 0.851 -4.740) 5.218 17.680 ( -3.695 0.777 -4.905) 6.190 18.213 ( 2.011 0.018 7.883) 8.135 18.241 ( -0.760 -1.346 8.315) 8.457 18.401 ( 3.509 -2.414 -8.600) 9.597 18.460 ( -1.980 -4.912 -11.111) 12.308 19.186 ( 3.990 -0.189 10.037) 10.803 19.270 ( -3.483 -4.125 12.500) 13.616 19.389 ( 6.349 0.871 -7.497) 9.862 19.511 ( -4.643 -4.616 -8.633) 10.834 20.267 ( 5.711 -1.626 3.127) 6.711 20.312 ( 5.520 -2.825 0.484) 6.220 20.412 ( -3.986 -6.886 1.474) 8.092 20.484 ( -6.676 -9.447 -3.509) 12.088 23.483 ( 2.257 2.802 1.531) 3.910 23.510 ( 0.097 0.771 0.507) 0.928 23.523 ( 0.749 1.022 -1.130) 1.698 23.540 ( -0.422 0.013 -1.313) 1.379 23.596 ( 4.317 -1.378 2.260) 5.064 23.646 ( 4.969 -1.343 -1.474) 5.354 23.695 ( -3.240 -4.403 1.856) 5.773 23.753 ( -3.489 -4.987 -2.507) 6.583 24.729 ( 0.341 -0.556 11.269) 11.288 24.738 ( -0.419 -1.038 11.464) 11.518 25.043 ( 0.436 -1.053 -16.415) 16.455 25.057 ( -0.847 -1.922 -16.718) 16.849 25.769 ( -0.085 2.834 9.662) 10.070 25.784 ( -1.376 2.968 9.682) 10.220 25.884 ( -0.200 1.405 -1.356) 1.963 25.904 ( -1.960 1.197 -2.652) 3.508 26.066 ( 2.034 -1.701 3.365) 4.284 26.097 ( -0.818 -1.713 4.908) 5.263 26.207 ( 3.585 2.682 -7.626) 8.843 26.256 ( -0.894 2.632 -7.856) 8.334 26.442 ( 7.481 6.355 2.048) 10.027 26.491 ( 7.832 7.626 -1.560) 11.042 26.521 ( 1.599 4.673 1.518) 5.167 26.560 ( 2.792 5.098 -1.485) 5.999 27.246 ( -0.975 6.533 2.845) 7.192 27.284 ( -1.446 5.422 1.476) 5.802 27.342 ( -5.477 4.318 0.403) 6.986 27.399 ( -7.419 1.668 -2.742) 8.084 28.345 ( -2.167 6.799 3.793) 8.082 28.363 ( -4.129 6.601 4.656) 9.072 28.436 ( -1.640 7.114 -3.792) 8.227 28.482 ( -6.530 5.682 -5.192) 10.094 ======================= Grid point 65 (28/30) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 0.000 -0.265 8.463) 8.467 2.963 ( 0.000 0.265 8.463) 8.467 3.165 ( 0.000 -1.959 -8.521) 8.744 3.165 ( 0.000 1.959 -8.521) 8.744 3.464 ( 0.000 -18.122 3.483) 18.453 3.464 ( 0.000 18.122 3.483) 18.453 3.623 ( 0.000 -18.530 -9.930) 21.023 3.623 ( 0.000 18.530 -9.930) 21.023 3.863 ( 0.000 -10.943 4.570) 11.859 3.863 ( 0.000 10.943 4.570) 11.859 3.888 ( 0.000 -21.704 1.072) 21.731 3.888 ( 0.000 21.704 1.072) 21.731 4.075 ( 0.000 -2.586 5.653) 6.216 4.075 ( 0.000 2.586 5.653) 6.216 4.151 ( 0.000 -9.164 0.433) 9.174 4.151 ( 0.000 9.164 0.433) 9.174 4.349 ( 0.000 -1.460 1.245) 1.919 4.349 ( 0.000 1.460 1.245) 1.919 4.401 ( 0.000 -0.705 -2.782) 2.870 4.401 ( 0.000 0.705 -2.782) 2.870 4.663 ( 0.000 -0.362 -0.592) 0.694 4.663 ( 0.000 0.362 -0.592) 0.694 4.706 ( 0.000 -5.182 -2.804) 5.892 4.706 ( 0.000 5.182 -2.804) 5.892 5.179 ( 0.000 -0.082 6.704) 6.705 5.179 ( 0.000 0.082 6.704) 6.705 5.271 ( 0.000 -7.760 1.124) 7.841 5.271 ( 0.000 7.760 1.124) 7.841 5.401 ( 0.000 -7.439 5.912) 9.502 5.401 ( 0.000 7.439 5.912) 9.502 5.532 ( 0.000 -1.176 -2.357) 2.634 5.532 ( 0.000 1.176 -2.357) 2.634 5.658 ( 0.000 -0.026 11.390) 11.390 5.658 ( 0.000 0.026 11.390) 11.390 5.733 ( 0.000 -3.743 4.129) 5.573 5.733 ( 0.000 3.743 4.129) 5.573 5.778 ( 0.000 -4.045 -5.214) 6.599 5.778 ( 0.000 4.045 -5.214) 6.599 5.944 ( 0.000 -1.819 -1.781) 2.546 5.944 ( 0.000 1.819 -1.781) 2.546 6.003 ( 0.000 -5.195 1.547) 5.421 6.003 ( 0.000 5.196 1.547) 5.421 6.217 ( 0.000 -8.547 5.215) 10.012 6.217 ( 0.000 8.547 5.215) 10.012 6.275 ( 0.000 -6.870 -7.521) 10.186 6.275 ( 0.000 6.870 -7.521) 10.186 6.452 ( 0.000 -0.260 -6.416) 6.421 6.452 ( 0.000 0.260 -6.416) 6.421 6.576 ( 0.000 -12.364 2.865) 12.692 6.576 ( 0.000 12.364 2.865) 12.692 6.599 ( 0.000 -7.766 -0.467) 7.780 6.599 ( 0.000 7.766 -0.467) 7.780 6.688 ( 0.000 -2.816 -1.873) 3.382 6.688 ( 0.000 2.816 -1.873) 3.382 6.744 ( 0.000 -9.654 -3.722) 10.346 6.744 ( 0.000 9.654 -3.722) 10.346 6.802 ( 0.000 -9.388 -0.673) 9.412 6.802 ( 0.000 9.388 -0.673) 9.412 6.820 ( 0.000 -1.994 -0.856) 2.170 6.820 ( 0.000 1.994 -0.856) 2.170 7.087 ( 0.000 -20.232 3.727) 20.572 7.087 ( 0.000 20.232 3.727) 20.572 7.308 ( 0.000 -14.158 -15.354) 20.885 7.308 ( 0.000 14.158 -15.354) 20.885 7.351 ( 0.000 -0.816 -0.047) 0.817 7.351 ( 0.000 0.816 -0.047) 0.817 7.430 ( 0.000 -5.077 -4.109) 6.532 7.430 ( 0.000 5.077 -4.109) 6.532 7.916 ( 0.000 -4.297 6.641) 7.910 7.916 ( 0.000 4.297 6.641) 7.910 8.014 ( 0.000 -7.364 -1.886) 7.602 8.014 ( 0.000 7.364 -1.886) 7.602 8.094 ( 0.000 -7.750 4.593) 9.009 8.094 ( 0.000 7.750 4.593) 9.009 8.213 ( 0.000 -5.051 -3.870) 6.363 8.213 ( 0.000 5.051 -3.870) 6.363 8.293 ( 0.000 -6.784 -0.327) 6.792 8.293 ( 0.000 6.784 -0.327) 6.792 8.407 ( 0.000 -8.590 -7.840) 11.630 8.407 ( 0.000 8.590 -7.840) 11.630 8.561 ( 0.000 -7.325 4.565) 8.631 8.561 ( 0.000 7.325 4.565) 8.631 8.695 ( 0.000 -3.882 -8.346) 9.205 8.695 ( 0.000 3.882 -8.346) 9.205 8.741 ( 0.000 -2.165 8.213) 8.493 8.741 ( 0.000 2.165 8.213) 8.493 8.890 ( 0.000 -8.303 -2.323) 8.621 8.890 ( 0.000 8.303 -2.323) 8.621 8.933 ( 0.000 -1.979 -0.286) 2.000 8.933 ( 0.000 1.979 -0.286) 2.000 9.032 ( 0.000 -8.914 -4.926) 10.185 9.032 ( 0.000 8.914 -4.926) 10.185 9.279 ( 0.000 -16.855 9.515) 19.355 9.279 ( 0.000 16.855 9.515) 19.355 9.467 ( 0.000 -12.531 -7.069) 14.387 9.467 ( 0.000 12.531 -7.069) 14.387 9.626 ( 0.000 -7.488 7.548) 10.632 9.626 ( 0.000 7.488 7.548) 10.632 9.769 ( 0.000 -4.688 -6.735) 8.206 9.769 ( 0.000 4.688 -6.735) 8.206 9.907 ( 0.000 -7.207 14.990) 16.632 9.907 ( 0.000 7.207 14.990) 16.632 10.138 ( 0.000 -4.121 -3.366) 5.321 10.138 ( 0.000 4.121 -3.366) 5.321 10.534 ( 0.000 -1.287 12.260) 12.327 10.534 ( 0.000 1.287 12.260) 12.327 10.782 ( 0.000 -9.796 -6.319) 11.657 10.782 ( 0.000 9.796 -6.319) 11.657 11.039 ( 0.000 -11.682 -0.111) 11.682 11.039 ( 0.000 11.682 -0.111) 11.682 11.077 ( 0.000 -25.022 -0.123) 25.023 11.077 ( 0.000 25.022 -0.123) 25.023 11.675 ( 0.000 -14.631 4.185) 15.217 11.675 ( 0.000 14.631 4.185) 15.217 11.772 ( 0.000 -6.837 -2.167) 7.173 11.772 ( 0.000 6.838 -2.167) 7.173 11.975 ( 0.000 -4.717 7.204) 8.611 11.975 ( 0.000 4.717 7.204) 8.611 12.182 ( 0.000 -2.951 -9.252) 9.711 12.182 ( 0.000 2.951 -9.252) 9.711 12.308 ( 0.000 -0.011 7.080) 7.080 12.308 ( 0.000 0.011 7.080) 7.080 12.566 ( 0.000 -0.414 8.635) 8.645 12.566 ( 0.000 0.414 8.635) 8.645 12.695 ( 0.000 -1.858 -24.436) 24.507 12.695 ( 0.000 1.858 -24.436) 24.507 12.757 ( 0.000 -5.896 -9.685) 11.338 12.757 ( 0.000 5.896 -9.685) 11.338 13.302 ( 0.000 -2.060 11.601) 11.783 13.302 ( 0.000 2.060 11.601) 11.783 13.390 ( 0.000 -2.238 11.815) 12.025 13.390 ( 0.000 2.238 11.815) 12.025 13.525 ( 0.000 -0.571 -4.764) 4.798 13.525 ( 0.000 0.571 -4.764) 4.798 13.690 ( 0.000 -0.403 -6.643) 6.655 13.690 ( 0.000 0.403 -6.643) 6.655 14.215 ( 0.000 -25.864 5.408) 26.423 14.215 ( 0.000 25.864 5.408) 26.423 14.331 ( 0.000 -24.241 -4.532) 24.661 14.331 ( 0.000 24.241 -4.532) 24.661 14.721 ( 0.000 -0.495 14.462) 14.470 14.721 ( 0.000 0.495 14.462) 14.470 15.084 ( 0.000 -2.258 -17.289) 17.436 15.084 ( 0.000 2.258 -17.289) 17.436 15.675 ( 0.000 -3.745 11.486) 12.081 15.675 ( 0.000 3.745 11.486) 12.081 16.016 ( 0.000 -2.452 -18.944) 19.102 16.016 ( 0.000 2.452 -18.944) 19.102 16.425 ( 0.000 -5.932 16.189) 17.241 16.425 ( 0.000 5.932 16.189) 17.241 16.756 ( 0.000 -2.638 -8.198) 8.612 16.756 ( 0.000 2.638 -8.198) 8.612 16.957 ( 0.000 -0.049 8.462) 8.462 16.957 ( 0.000 0.049 8.462) 8.462 17.169 ( 0.000 -2.443 -5.215) 5.759 17.169 ( 0.000 2.443 -5.215) 5.759 17.631 ( 0.000 -0.686 6.454) 6.490 17.631 ( 0.000 0.686 6.454) 6.490 17.798 ( 0.000 -1.174 -7.710) 7.799 17.798 ( 0.000 1.174 -7.710) 7.799 18.191 ( 0.000 -4.112 6.731) 7.888 18.191 ( 0.000 4.112 6.731) 7.888 18.348 ( 0.000 -6.683 -7.434) 9.996 18.348 ( 0.000 6.683 -7.434) 9.996 19.186 ( 0.000 -6.458 8.970) 11.052 19.186 ( 0.000 6.458 8.970) 11.052 19.365 ( 0.000 -10.178 -6.471) 12.060 19.365 ( 0.000 10.178 -6.471) 12.060 20.303 ( 0.000 -10.828 2.677) 11.154 20.303 ( 0.000 10.828 2.677) 11.154 20.364 ( 0.000 -12.994 -2.443) 13.222 20.364 ( 0.000 12.994 -2.443) 13.222 23.508 ( 0.000 -0.141 0.630) 0.646 23.508 ( 0.000 0.141 0.630) 0.646 23.528 ( 0.000 -0.120 -1.060) 1.067 23.528 ( 0.000 0.120 -1.060) 1.067 23.575 ( 0.000 -9.632 1.857) 9.810 23.575 ( 0.000 9.632 1.857) 9.810 23.613 ( 0.000 -10.018 -1.374) 10.112 23.613 ( 0.000 10.018 -1.374) 10.112 24.727 ( 0.000 -0.636 11.176) 11.194 24.727 ( 0.000 0.636 11.176) 11.194 25.044 ( 0.000 -1.105 -16.850) 16.886 25.044 ( 0.000 1.105 -16.850) 16.886 25.826 ( 0.000 -0.767 11.993) 12.017 25.826 ( 0.000 0.767 11.993) 12.017 26.018 ( 0.000 -0.135 -5.689) 5.691 26.018 ( 0.000 0.135 -5.689) 5.691 26.099 ( 0.000 -5.700 3.133) 6.505 26.099 ( 0.000 5.700 3.133) 6.505 26.162 ( 0.000 -1.577 -1.700) 2.318 26.162 ( 0.000 1.577 -1.700) 2.318 26.272 ( 0.000 -1.063 1.327) 1.700 26.272 ( 0.000 1.063 1.327) 1.700 26.337 ( 0.000 -0.216 -4.444) 4.449 26.337 ( 0.000 0.216 -4.444) 4.449 27.509 ( 0.000 -6.322 1.020) 6.403 27.509 ( 0.000 6.322 1.020) 6.403 27.520 ( 0.000 -6.093 0.263) 6.098 27.520 ( 0.000 6.093 0.263) 6.098 28.583 ( 0.000 -3.156 5.966) 6.750 28.583 ( 0.000 3.156 5.966) 6.750 28.732 ( 0.000 -7.253 -6.504) 9.742 28.732 ( 0.000 7.253 -6.504) 9.742 ======================= Grid point 67 (29/30) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 4.010 0.000 6.285) 7.455 3.071 ( 6.640 0.000 7.497) 10.015 3.161 ( 0.955 0.000 -7.440) 7.501 3.202 ( 0.541 0.000 -3.928) 3.965 3.462 ( 1.006 0.000 2.454) 2.652 3.502 ( 3.492 -0.000 1.976) 4.012 3.591 ( 0.441 -0.000 -9.029) 9.040 3.691 ( 3.310 0.000 -14.367) 14.743 3.824 ( -1.374 0.000 11.409) 11.492 3.918 ( 2.599 0.000 12.055) 12.332 3.950 ( 4.178 -0.000 -0.621) 4.224 4.039 ( -0.124 0.000 1.809) 1.813 4.083 ( 8.102 -0.000 3.369) 8.774 4.137 ( 5.126 0.000 4.632) 6.909 4.202 ( 6.109 -0.000 -1.868) 6.388 4.209 ( 2.623 0.000 -3.920) 4.716 4.307 ( -1.617 -0.000 9.676) 9.810 4.329 ( 1.739 0.000 0.226) 1.754 4.389 ( 2.864 0.000 -5.215) 5.949 4.496 ( 3.899 0.000 -3.490) 5.232 4.553 ( -4.341 0.000 -3.791) 5.763 4.620 ( -5.154 -0.000 -6.101) 7.987 4.720 ( -0.302 0.000 2.145) 2.166 4.749 ( 2.518 0.000 -0.170) 2.523 4.998 ( -7.847 0.000 6.095) 9.936 5.141 ( -6.452 0.000 8.333) 10.539 5.193 ( -5.207 -0.000 -7.860) 9.428 5.316 ( -6.020 0.000 11.150) 12.671 5.332 ( -1.189 0.000 -6.267) 6.379 5.343 ( -3.367 -0.000 7.987) 8.668 5.446 ( -6.389 -0.000 3.149) 7.123 5.460 ( -0.768 0.000 2.267) 2.393 5.500 ( -6.826 -0.000 -4.837) 8.367 5.594 ( -5.150 0.000 14.865) 15.732 5.661 ( -5.277 0.000 -5.563) 7.667 5.753 ( 0.413 0.000 0.858) 0.952 5.853 ( 6.845 0.000 0.206) 6.848 5.867 ( 3.711 0.000 -3.939) 5.412 5.912 ( 4.890 -0.000 -4.548) 6.678 5.985 ( -8.099 0.000 1.355) 8.211 6.083 ( -2.195 0.000 -0.613) 2.279 6.134 ( 2.450 0.000 7.042) 7.456 6.193 ( 7.092 0.000 4.953) 8.651 6.204 ( -0.120 -0.000 1.161) 1.167 6.266 ( -9.283 -0.000 -5.474) 10.777 6.345 ( 0.425 -0.000 6.333) 6.347 6.372 ( 10.192 0.000 -9.264) 13.773 6.472 ( -4.158 0.000 4.926) 6.446 6.503 ( -0.146 -0.000 4.422) 4.424 6.594 ( 2.425 -0.000 3.627) 4.363 6.603 ( 4.810 0.000 -4.057) 6.292 6.669 ( 3.028 -0.000 -1.409) 3.340 6.718 ( 1.871 -0.000 -0.986) 2.115 6.746 ( 6.386 -0.000 -5.392) 8.358 6.747 ( 3.214 -0.000 -7.533) 8.190 6.750 ( 3.180 0.000 -4.572) 5.570 6.894 ( 7.813 -0.000 3.113) 8.410 6.899 ( 4.091 0.000 1.517) 4.363 6.939 ( 6.814 0.000 -0.576) 6.838 6.968 ( 6.309 -0.000 -0.135) 6.310 7.191 ( 10.000 0.000 -2.679) 10.353 7.199 ( 3.563 -0.000 -1.679) 3.939 7.306 ( -0.930 0.000 -12.603) 12.637 7.322 ( -0.294 -0.000 -4.216) 4.226 7.358 ( 7.231 0.000 -1.016) 7.302 7.412 ( 3.617 0.000 -1.867) 4.071 7.455 ( 2.334 0.000 -2.887) 3.713 7.473 ( 4.261 -0.000 -9.377) 10.300 7.814 ( -1.313 0.000 7.052) 7.173 7.888 ( -8.090 0.000 4.190) 9.111 7.948 ( -3.859 0.000 -2.717) 4.720 8.050 ( -7.557 0.000 -4.637) 8.866 8.069 ( 2.663 -0.000 4.485) 5.216 8.112 ( -3.912 0.000 2.982) 4.919 8.161 ( -4.164 0.000 -3.382) 5.365 8.205 ( 5.220 0.000 0.326) 5.230 8.279 ( -2.230 0.000 -3.417) 4.080 8.342 ( -5.098 0.000 -2.800) 5.816 8.349 ( -1.353 -0.000 -6.095) 6.244 8.401 ( -0.662 -0.000 -5.579) 5.618 8.463 ( -3.431 -0.000 0.895) 3.546 8.489 ( -3.103 0.000 4.418) 5.399 8.580 ( -7.756 -0.000 -8.287) 11.350 8.635 ( -5.156 0.000 -6.882) 8.599 8.691 ( -2.506 -0.000 2.984) 3.896 8.692 ( -2.861 0.000 8.297) 8.777 8.762 ( -10.284 0.000 -2.885) 10.681 8.766 ( -6.205 -0.000 -0.265) 6.211 8.807 ( -6.192 0.000 9.270) 11.148 8.906 ( 0.236 0.000 7.881) 7.885 9.007 ( -1.737 0.000 -5.721) 5.979 9.078 ( 1.784 0.000 -7.742) 7.945 9.287 ( 5.850 0.000 2.254) 6.269 9.385 ( 0.399 0.000 -5.855) 5.869 9.510 ( 8.893 0.000 9.140) 12.753 9.629 ( -1.651 -0.000 7.087) 7.276 9.683 ( 5.309 -0.000 11.770) 12.912 9.699 ( 2.614 0.000 -4.430) 5.144 9.723 ( -5.163 0.000 4.225) 6.671 9.870 ( 3.614 0.000 -6.996) 7.874 9.909 ( 12.885 0.000 1.358) 12.957 9.968 ( 3.768 -0.000 10.715) 11.358 10.119 ( 0.890 0.000 -11.066) 11.102 10.205 ( 4.299 0.000 -5.361) 6.872 10.460 ( -1.152 0.000 16.560) 16.600 10.597 ( 2.158 0.000 13.537) 13.708 10.730 ( -1.922 -0.000 -2.453) 3.116 10.810 ( -0.972 0.000 0.422) 1.059 11.033 ( -2.061 -0.000 -1.597) 2.608 11.037 ( 0.455 -0.000 -1.646) 1.708 11.074 ( 0.682 -0.000 -1.405) 1.562 11.076 ( -0.390 0.000 0.081) 0.399 11.437 ( -17.413 -0.000 3.025) 17.674 11.514 ( -16.006 0.000 6.382) 17.232 11.585 ( -13.756 0.000 -9.711) 16.838 11.701 ( -10.503 0.000 -9.279) 14.015 11.903 ( -4.357 0.000 15.171) 15.784 12.024 ( 0.154 0.000 4.973) 4.976 12.053 ( -4.421 0.000 3.746) 5.795 12.224 ( -0.141 0.000 -6.056) 6.058 12.340 ( 5.965 0.000 4.002) 7.183 12.393 ( 3.007 -0.000 6.069) 6.773 12.533 ( -0.362 0.000 7.015) 7.024 12.592 ( -0.808 0.000 7.544) 7.588 12.688 ( -2.928 0.000 -12.939) 13.267 12.720 ( 1.792 -0.000 -25.054) 25.118 12.750 ( -2.147 0.000 -7.585) 7.883 12.760 ( 4.048 0.000 -19.014) 19.440 13.103 ( -4.629 0.000 3.967) 6.096 13.251 ( -10.250 0.000 -7.572) 12.743 13.315 ( -6.762 -0.000 9.808) 11.913 13.426 ( 3.024 0.000 10.140) 10.581 13.459 ( 1.518 0.000 4.934) 5.162 13.557 ( -6.466 -0.000 -3.648) 7.424 13.571 ( -0.207 0.000 3.292) 3.299 13.593 ( -1.085 0.000 -4.015) 4.159 14.220 ( 4.445 0.000 9.283) 10.292 14.383 ( 1.283 -0.000 12.411) 12.477 14.483 ( 16.535 0.000 -7.209) 18.038 14.669 ( 15.664 -0.000 -7.203) 17.240 14.901 ( 14.203 0.000 9.141) 16.890 14.981 ( 14.628 0.000 3.763) 15.104 15.171 ( 9.611 0.000 -9.723) 13.671 15.185 ( 13.402 -0.000 -11.221) 17.479 15.667 ( 1.083 -0.000 9.086) 9.150 15.733 ( 3.657 0.000 10.637) 11.248 15.972 ( -2.810 -0.000 -18.494) 18.706 16.031 ( -0.279 0.000 -15.832) 15.834 16.356 ( -3.960 -0.000 12.621) 13.228 16.415 ( -2.504 0.000 15.346) 15.549 16.682 ( -8.495 -0.000 -14.924) 17.172 16.687 ( -5.146 0.000 -4.466) 6.814 16.872 ( -1.069 0.000 16.822) 16.856 17.012 ( -1.128 0.000 4.923) 5.051 17.132 ( -2.587 0.000 -2.029) 3.288 17.149 ( -1.853 -0.000 -7.146) 7.383 17.607 ( -0.677 0.000 3.992) 4.049 17.624 ( -0.986 0.000 5.407) 5.496 17.738 ( -3.585 0.000 -6.907) 7.782 17.770 ( -3.444 0.000 -6.619) 7.461 18.198 ( 1.038 0.000 6.972) 7.049 18.210 ( 0.844 -0.000 6.406) 6.462 18.365 ( 1.295 -0.000 -7.768) 7.875 18.365 ( 1.256 0.000 -7.650) 7.752 19.181 ( 0.355 -0.000 9.537) 9.543 19.206 ( 0.804 0.000 9.963) 9.995 19.379 ( 1.780 -0.000 -7.565) 7.771 19.402 ( 2.159 0.000 -6.920) 7.249 20.291 ( -0.877 0.000 2.994) 3.120 20.294 ( -0.786 -0.000 3.164) 3.260 20.358 ( -0.330 0.000 -2.641) 2.662 20.363 ( -0.250 -0.000 -2.628) 2.640 23.511 ( 0.400 0.000 0.752) 0.852 23.515 ( 0.460 -0.000 0.434) 0.632 23.532 ( 0.335 -0.000 -1.009) 1.063 23.534 ( 0.390 0.000 -1.073) 1.142 23.586 ( 0.860 0.000 2.585) 2.725 23.586 ( 0.831 -0.000 2.089) 2.248 23.632 ( 1.656 -0.000 -1.869) 2.497 23.639 ( 1.780 0.000 -1.891) 2.597 24.726 ( -0.043 0.000 11.071) 11.071 24.728 ( -0.005 -0.000 11.078) 11.079 25.041 ( -0.250 0.000 -16.624) 16.626 25.041 ( -0.252 -0.000 -16.809) 16.811 25.809 ( -0.546 0.000 10.679) 10.693 25.838 ( -0.170 -0.000 12.503) 12.504 25.954 ( -3.258 0.000 -3.283) 4.625 25.982 ( -4.603 -0.000 -0.841) 4.679 26.029 ( -0.812 0.000 0.934) 1.238 26.088 ( -1.231 0.000 5.773) 5.903 26.152 ( 3.414 0.000 -7.950) 8.652 26.272 ( 0.991 0.000 -9.001) 9.055 26.342 ( 7.637 0.000 2.091) 7.918 26.386 ( 8.924 0.000 -2.176) 9.186 26.431 ( 9.044 0.000 1.411) 9.153 26.460 ( 7.022 0.000 -1.044) 7.100 27.433 ( -5.383 0.000 2.263) 5.839 27.457 ( -4.845 0.000 2.232) 5.334 27.479 ( -3.810 -0.000 -1.391) 4.056 27.487 ( -3.080 -0.000 -0.476) 3.117 28.523 ( -4.783 0.000 5.161) 7.037 28.526 ( -4.709 0.000 5.090) 6.934 28.652 ( -6.319 0.000 -5.643) 8.472 28.653 ( -6.379 -0.000 -5.524) 8.439 ======================= Grid point 69 (30/30) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 4.442 0.000 3.017) 5.370 3.172 ( -2.207 -0.000 0.301) 2.227 3.179 ( 1.805 0.000 1.354) 2.256 3.186 ( 0.946 0.000 -3.682) 3.801 3.518 ( 3.958 0.000 3.668) 5.396 3.587 ( 0.731 -0.000 2.169) 2.289 3.638 ( 3.221 -0.000 -7.517) 8.178 3.687 ( -1.854 0.000 -0.727) 1.992 3.851 ( 2.480 0.000 1.434) 2.864 3.919 ( -2.969 0.000 7.978) 8.512 3.977 ( 1.476 0.000 -2.835) 3.196 4.015 ( -0.510 0.000 3.000) 3.043 4.176 ( -1.491 -0.000 2.156) 2.621 4.183 ( -0.935 -0.000 11.215) 11.253 4.282 ( 8.025 0.000 1.941) 8.256 4.351 ( 3.836 -0.000 7.125) 8.092 4.419 ( 1.301 0.000 -0.657) 1.458 4.434 ( 7.475 0.000 7.934) 10.901 4.456 ( 1.815 0.000 -4.758) 5.092 4.469 ( -2.117 -0.000 -12.494) 12.672 4.499 ( -1.078 -0.000 -4.796) 4.915 4.646 ( 8.799 0.000 -10.080) 13.380 4.658 ( -6.673 -0.000 4.005) 7.783 4.787 ( -1.304 -0.000 -4.964) 5.133 4.926 ( 2.722 0.000 6.512) 7.058 4.998 ( -4.584 0.000 9.987) 10.989 5.154 ( 1.456 0.000 -12.294) 12.380 5.164 ( -4.880 0.000 1.991) 5.271 5.259 ( -6.495 0.000 12.555) 14.135 5.321 ( -2.985 0.000 1.068) 3.170 5.354 ( 1.956 -0.000 0.743) 2.093 5.381 ( 0.752 -0.000 0.095) 0.758 5.482 ( 2.911 0.000 -3.309) 4.407 5.531 ( -2.644 0.000 1.030) 2.837 5.562 ( -4.819 0.000 -4.567) 6.639 5.653 ( -9.947 0.000 -7.446) 12.426 5.866 ( 1.904 0.000 6.731) 6.996 5.896 ( 0.055 -0.000 3.229) 3.229 5.990 ( 1.313 0.000 -4.455) 4.644 5.995 ( 3.206 0.000 2.444) 4.031 6.023 ( -2.032 0.000 -0.991) 2.260 6.087 ( -3.765 0.000 4.455) 5.833 6.141 ( -1.574 0.000 -3.249) 3.610 6.163 ( -3.508 0.000 -2.496) 4.305 6.320 ( 1.887 0.000 3.548) 4.019 6.353 ( -3.473 0.000 7.747) 8.490 6.366 ( -0.607 -0.000 1.954) 2.046 6.379 ( 0.324 -0.000 8.217) 8.224 6.675 ( 7.463 -0.000 3.760) 8.356 6.690 ( 4.065 0.000 4.648) 6.175 6.729 ( 3.688 -0.000 -2.451) 4.428 6.742 ( 4.124 0.000 -3.522) 5.423 6.789 ( 4.068 -0.000 -4.368) 5.969 6.829 ( 2.998 0.000 -6.134) 6.828 6.837 ( 2.491 -0.000 -7.708) 8.101 6.877 ( -0.202 0.000 -5.718) 5.721 7.005 ( 4.835 -0.000 0.381) 4.850 7.022 ( 1.655 0.000 3.793) 4.138 7.027 ( 3.925 -0.000 -0.210) 3.930 7.046 ( 2.199 -0.000 2.147) 3.073 7.280 ( 0.212 0.000 2.522) 2.531 7.292 ( 4.609 -0.000 0.499) 4.636 7.352 ( 3.478 0.000 -2.717) 4.414 7.383 ( 7.372 -0.000 -8.139) 10.981 7.435 ( -1.204 0.000 0.791) 1.441 7.493 ( 1.220 0.000 -3.523) 3.728 7.510 ( 0.464 -0.000 -2.613) 2.653 7.582 ( -0.997 0.000 -4.918) 5.018 7.713 ( -2.428 -0.000 -1.171) 2.696 7.799 ( -1.678 0.000 -5.048) 5.320 7.848 ( -3.694 0.000 -6.709) 7.658 7.865 ( -5.796 -0.000 -7.511) 9.487 8.022 ( -4.220 0.000 0.949) 4.326 8.059 ( -0.918 0.000 3.529) 3.646 8.116 ( -6.377 0.000 -0.460) 6.394 8.126 ( -4.269 -0.000 -3.769) 5.695 8.212 ( 3.476 0.000 1.451) 3.766 8.284 ( -1.400 0.000 5.508) 5.683 8.294 ( -0.005 -0.000 -2.869) 2.869 8.391 ( -2.809 0.000 -3.569) 4.542 8.408 ( -1.482 0.000 -4.156) 4.412 8.446 ( -1.854 0.000 -3.789) 4.219 8.457 ( -7.608 0.000 0.041) 7.608 8.485 ( -2.926 0.000 0.758) 3.022 8.605 ( -0.818 0.000 -1.100) 1.370 8.645 ( -1.772 0.000 4.457) 4.796 8.671 ( 1.543 -0.000 -4.720) 4.966 8.722 ( -1.645 -0.000 -2.244) 2.783 8.900 ( 10.178 0.000 8.386) 13.187 8.983 ( 6.089 0.000 8.564) 10.509 9.060 ( 7.087 0.000 -6.145) 9.380 9.094 ( -0.289 -0.000 -2.540) 2.557 9.288 ( -4.215 0.000 7.236) 8.375 9.400 ( -0.083 0.000 -3.954) 3.955 9.419 ( -13.491 0.000 5.192) 14.456 9.470 ( -8.366 -0.000 -0.050) 8.366 9.754 ( 9.268 0.000 7.039) 11.638 9.809 ( 4.509 -0.000 8.793) 9.882 9.881 ( 7.413 -0.000 -4.895) 8.883 9.928 ( 2.426 0.000 -3.063) 3.907 10.061 ( 3.003 0.000 5.388) 6.168 10.099 ( -0.091 0.000 0.570) 0.577 10.210 ( 7.450 0.000 -8.652) 11.418 10.283 ( 0.919 0.000 -11.399) 11.436 10.537 ( 8.113 0.000 14.876) 16.944 10.655 ( 2.032 -0.000 13.001) 13.159 10.697 ( -0.109 0.000 5.555) 5.556 10.744 ( -4.436 0.000 13.854) 14.547 10.984 ( -3.294 -0.000 -3.903) 5.107 11.006 ( -6.738 -0.000 -5.924) 8.972 11.014 ( -9.437 0.000 1.367) 9.535 11.067 ( -6.166 0.000 3.414) 7.048 11.101 ( 2.329 0.000 -1.466) 2.752 11.172 ( -7.326 -0.000 6.706) 9.932 11.264 ( -10.770 0.000 -14.224) 17.842 11.350 ( -15.492 -0.000 -10.879) 18.930 11.881 ( 1.496 0.000 15.032) 15.106 11.929 ( -2.980 0.000 12.017) 12.381 12.122 ( 3.876 0.000 -0.133) 3.878 12.190 ( -2.350 0.000 -1.640) 2.866 12.437 ( 1.758 0.000 6.154) 6.400 12.440 ( 0.730 -0.000 5.571) 5.619 12.536 ( 0.649 -0.000 0.418) 0.773 12.551 ( -1.328 0.000 2.080) 2.468 12.654 ( -0.220 -0.000 -7.982) 7.985 12.684 ( -2.843 0.000 -7.422) 7.948 12.772 ( 2.396 0.000 -21.846) 21.977 12.806 ( -0.158 0.000 -19.132) 19.133 13.111 ( 2.557 0.000 -1.641) 3.039 13.186 ( -4.449 0.000 3.073) 5.408 13.186 ( 3.956 -0.000 -6.796) 7.864 13.319 ( -7.185 0.000 -7.669) 10.508 13.508 ( 3.838 0.000 10.545) 11.222 13.564 ( -0.839 0.000 9.697) 9.733 13.606 ( 2.348 0.000 3.616) 4.311 13.613 ( 1.371 0.000 0.248) 1.393 14.310 ( 3.393 0.000 14.433) 14.826 14.367 ( -1.860 0.000 15.269) 15.382 14.755 ( 7.102 0.000 -21.063) 22.228 14.821 ( 0.480 0.000 -24.949) 24.953 15.161 ( 7.247 0.000 22.679) 23.809 15.171 ( 4.805 -0.000 14.913) 15.668 15.521 ( 15.803 0.000 -9.256) 18.314 15.563 ( 13.570 -0.000 -5.399) 14.605 15.763 ( 9.234 0.000 0.832) 9.271 15.804 ( 1.442 0.000 7.332) 7.472 15.878 ( -5.996 0.000 -12.820) 14.153 15.972 ( -6.145 0.000 -8.142) 10.201 16.304 ( -0.219 -0.000 4.846) 4.851 16.337 ( -3.614 0.000 10.066) 10.695 16.487 ( -5.782 -0.000 -8.144) 9.987 16.539 ( -7.509 0.000 -5.326) 9.206 16.877 ( 1.160 0.000 13.177) 13.228 16.934 ( -4.154 0.000 9.898) 10.735 17.092 ( -0.753 0.000 -3.673) 3.749 17.104 ( -1.730 0.000 -5.806) 6.058 17.613 ( 0.954 -0.000 0.439) 1.050 17.614 ( 0.339 0.000 1.327) 1.370 17.668 ( -2.244 0.000 -4.276) 4.829 17.686 ( -3.433 0.000 -4.272) 5.481 18.219 ( 0.652 0.000 6.724) 6.755 18.223 ( 0.297 -0.000 6.504) 6.510 18.388 ( 0.638 -0.000 -8.174) 8.199 18.389 ( 0.648 0.000 -8.134) 8.160 19.198 ( 0.978 -0.000 10.848) 10.892 19.213 ( -0.246 0.000 11.079) 11.082 19.423 ( 1.687 -0.000 -8.586) 8.750 19.436 ( 0.617 0.000 -8.209) 8.232 20.275 ( -0.412 0.000 3.677) 3.700 20.277 ( -0.561 -0.000 3.757) 3.799 20.353 ( -0.044 0.000 -2.939) 2.939 20.356 ( -0.295 -0.000 -2.911) 2.926 23.521 ( 0.378 0.000 0.583) 0.695 23.523 ( 0.207 -0.000 0.369) 0.423 23.540 ( 0.293 -0.000 -0.977) 1.020 23.541 ( 0.169 0.000 -1.026) 1.039 23.603 ( 0.509 -0.000 2.908) 2.952 23.603 ( 0.509 0.000 3.207) 3.247 23.667 ( 1.172 -0.000 -2.587) 2.840 23.671 ( 0.820 0.000 -2.582) 2.710 24.725 ( 0.029 0.000 10.904) 10.904 24.727 ( -0.069 -0.000 10.909) 10.909 25.036 ( -0.165 -0.290 -16.504) 16.507 25.036 ( -0.164 0.290 -16.475) 16.478 25.805 ( 0.224 0.000 9.767) 9.770 25.820 ( -1.056 0.000 10.406) 10.459 25.900 ( -1.275 0.000 -0.855) 1.535 25.907 ( -2.000 -0.000 -0.214) 2.012 26.046 ( 1.664 0.000 3.772) 4.122 26.074 ( -0.673 0.000 5.340) 5.382 26.236 ( 3.418 0.000 -10.426) 10.972 26.279 ( -0.496 0.000 -10.829) 10.840 26.515 ( 6.635 0.000 3.241) 7.384 26.567 ( 2.494 0.000 2.750) 3.713 26.581 ( 7.094 0.000 -2.730) 7.601 26.614 ( 4.602 0.000 -1.474) 4.832 27.321 ( -3.258 0.000 3.276) 4.621 27.341 ( -4.569 0.000 3.490) 5.749 27.390 ( -2.910 0.000 -2.474) 3.820 27.403 ( -3.577 -0.000 -1.806) 4.007 28.423 ( -3.096 0.000 4.140) 5.170 28.425 ( -3.283 -0.000 4.046) 5.211 28.524 ( -3.850 0.000 -4.221) 5.714 28.524 ( -3.877 -0.000 -4.306) 5.794 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/24480 10.0 2316.866 1602.274 1794.472 0.000 0.000 0.000 3/24480 20.0 910.095 1072.949 1135.075 0.000 0.000 0.000 3/24480 30.0 238.636 295.772 309.048 0.000 0.000 0.000 3/24480 40.0 96.599 121.190 126.227 0.000 0.000 0.000 3/24480 50.0 51.472 65.230 66.864 0.000 0.000 0.000 3/24480 60.0 32.534 41.551 41.850 0.000 0.000 0.000 3/24480 70.0 22.964 29.482 29.222 0.000 0.000 0.000 3/24480 80.0 17.465 22.494 21.989 0.000 0.000 0.000 3/24480 90.0 13.999 18.060 17.453 0.000 0.000 0.000 3/24480 100.0 11.658 15.049 14.408 0.000 0.000 -0.000 3/24480 110.0 9.988 12.893 12.254 0.000 0.000 -0.000 3/24480 120.0 8.746 11.284 10.665 0.000 0.000 -0.000 3/24480 130.0 7.789 10.042 9.454 0.000 0.000 -0.000 3/24480 140.0 7.031 9.057 8.503 0.000 0.000 -0.000 3/24480 150.0 6.416 8.257 7.738 0.000 0.000 -0.000 3/24480 160.0 5.907 7.594 7.111 0.000 0.000 -0.000 3/24480 170.0 5.479 7.037 6.587 0.000 0.000 -0.000 3/24480 180.0 5.114 6.561 6.143 0.000 0.000 -0.000 3/24480 190.0 4.798 6.150 5.761 0.000 0.000 -0.000 3/24480 200.0 4.522 5.791 5.428 0.000 0.000 -0.000 3/24480 210.0 4.278 5.474 5.136 0.000 0.000 -0.000 3/24480 220.0 4.061 5.193 4.877 0.000 0.000 -0.000 3/24480 230.0 3.867 4.942 4.646 0.000 0.000 -0.000 3/24480 240.0 3.692 4.715 4.438 0.000 0.000 -0.000 3/24480 250.0 3.534 4.510 4.249 0.000 0.000 -0.000 3/24480 260.0 3.389 4.323 4.077 0.000 0.000 -0.000 3/24480 270.0 3.256 4.152 3.920 0.000 0.000 -0.000 3/24480 280.0 3.134 3.995 3.775 0.000 0.000 -0.000 3/24480 290.0 3.022 3.850 3.641 0.000 0.000 -0.000 3/24480 300.0 2.917 3.716 3.517 0.000 0.000 -0.000 3/24480 310.0 2.820 3.592 3.402 0.000 0.000 -0.000 3/24480 320.0 2.730 3.476 3.294 0.000 0.000 -0.000 3/24480 330.0 2.645 3.367 3.194 0.000 0.000 -0.000 3/24480 340.0 2.566 3.266 3.099 0.000 0.000 -0.000 3/24480 350.0 2.492 3.171 3.011 0.000 0.000 -0.000 3/24480 360.0 2.421 3.081 2.927 0.000 0.000 -0.000 3/24480 370.0 2.355 2.997 2.848 0.000 0.000 -0.000 3/24480 380.0 2.293 2.917 2.774 0.000 0.000 -0.000 3/24480 390.0 2.234 2.842 2.703 0.000 0.000 -0.000 3/24480 400.0 2.178 2.770 2.636 0.000 0.000 -0.000 3/24480 410.0 2.124 2.702 2.573 0.000 0.000 -0.000 3/24480 420.0 2.074 2.638 2.512 0.000 0.000 -0.000 3/24480 430.0 2.025 2.576 2.454 0.000 0.000 -0.000 3/24480 440.0 1.979 2.518 2.399 0.000 0.000 -0.000 3/24480 450.0 1.936 2.462 2.347 0.000 0.000 -0.000 3/24480 460.0 1.894 2.409 2.296 0.000 0.000 -0.000 3/24480 470.0 1.853 2.357 2.248 0.000 0.000 -0.000 3/24480 480.0 1.815 2.309 2.202 0.000 0.000 -0.000 3/24480 490.0 1.778 2.262 2.158 0.000 0.000 -0.000 3/24480 500.0 1.743 2.217 2.115 0.000 0.000 -0.000 3/24480 510.0 1.709 2.174 2.074 0.000 0.000 -0.000 3/24480 520.0 1.676 2.132 2.035 0.000 0.000 -0.000 3/24480 530.0 1.645 2.092 1.997 0.000 0.000 -0.000 3/24480 540.0 1.614 2.054 1.961 0.000 0.000 -0.000 3/24480 550.0 1.585 2.017 1.926 0.000 0.000 -0.000 3/24480 560.0 1.557 1.981 1.892 0.000 0.000 -0.000 3/24480 570.0 1.530 1.947 1.859 0.000 0.000 -0.000 3/24480 580.0 1.504 1.913 1.828 0.000 0.000 -0.000 3/24480 590.0 1.479 1.881 1.797 0.000 0.000 -0.000 3/24480 600.0 1.454 1.850 1.768 0.000 0.000 -0.000 3/24480 610.0 1.430 1.820 1.739 0.000 0.000 -0.000 3/24480 620.0 1.408 1.791 1.711 0.000 0.000 -0.000 3/24480 630.0 1.385 1.763 1.685 0.000 0.000 -0.000 3/24480 640.0 1.364 1.736 1.659 0.000 0.000 -0.000 3/24480 650.0 1.343 1.709 1.633 0.000 0.000 -0.000 3/24480 660.0 1.323 1.684 1.609 0.000 0.000 -0.000 3/24480 670.0 1.303 1.659 1.585 0.000 0.000 -0.000 3/24480 680.0 1.284 1.635 1.562 0.000 0.000 -0.000 3/24480 690.0 1.266 1.611 1.540 0.000 0.000 -0.000 3/24480 700.0 1.248 1.588 1.518 0.000 0.000 -0.000 3/24480 710.0 1.230 1.566 1.497 0.000 0.000 -0.000 3/24480 720.0 1.213 1.545 1.477 0.000 0.000 -0.000 3/24480 730.0 1.197 1.524 1.457 0.000 0.000 -0.000 3/24480 740.0 1.181 1.503 1.437 0.000 0.000 -0.000 3/24480 750.0 1.165 1.483 1.418 0.000 0.000 -0.000 3/24480 760.0 1.150 1.464 1.400 0.000 0.000 -0.000 3/24480 770.0 1.135 1.445 1.382 0.000 0.000 -0.000 3/24480 780.0 1.121 1.427 1.364 0.000 0.000 -0.000 3/24480 790.0 1.107 1.409 1.347 0.000 0.000 -0.000 3/24480 800.0 1.093 1.392 1.331 0.000 0.000 -0.000 3/24480 810.0 1.080 1.375 1.315 0.000 0.000 -0.000 3/24480 820.0 1.067 1.358 1.299 0.000 0.000 -0.000 3/24480 830.0 1.054 1.342 1.283 0.000 0.000 -0.000 3/24480 840.0 1.041 1.326 1.268 0.000 0.000 -0.000 3/24480 850.0 1.029 1.311 1.253 0.000 0.000 -0.000 3/24480 860.0 1.017 1.295 1.239 0.000 0.000 -0.000 3/24480 870.0 1.006 1.281 1.225 0.000 0.000 -0.000 3/24480 880.0 0.994 1.266 1.211 0.000 0.000 -0.000 3/24480 890.0 0.983 1.252 1.198 0.000 0.000 -0.000 3/24480 900.0 0.972 1.238 1.184 0.000 0.000 -0.000 3/24480 910.0 0.962 1.225 1.172 0.000 0.000 -0.000 3/24480 920.0 0.951 1.212 1.159 0.000 0.000 -0.000 3/24480 930.0 0.941 1.199 1.147 0.000 0.000 -0.000 3/24480 940.0 0.931 1.186 1.135 0.000 0.000 -0.000 3/24480 950.0 0.922 1.174 1.123 0.000 0.000 -0.000 3/24480 960.0 0.912 1.162 1.111 0.000 0.000 -0.000 3/24480 970.0 0.903 1.150 1.100 0.000 0.000 -0.000 3/24480 980.0 0.894 1.138 1.089 0.000 0.000 -0.000 3/24480 990.0 0.885 1.127 1.078 0.000 0.000 -0.000 3/24480 1000.0 0.876 1.116 1.067 0.000 0.000 -0.000 3/24480 Thermal conductivity related properties were written into "kappa-m583.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:34:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|