----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:06:48]------------------------- Compiled with OpenMP support (max 48 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-4n2 (118) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.931606400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.931606400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.064217090000000 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 *3 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 4 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 *5 B 0.80593285990576 0.59874889920205 0.08327892889255 10.811 *6 B 0.07738573970309 0.75899137549581 0.91549877104030 10.811 *7 B 0.37127936761441 0.61530847372912 0.87625813266400 10.811 *8 B 0.73456743101507 0.75165487978713 0.91521438233466 10.811 9 B 0.76543256898493 0.25165487978714 0.41521438233466 10.811 10 B 0.19406714009424 0.40125110079795 0.08327892889255 10.811 11 B 0.75165487978713 0.26543256898493 0.08478561766534 10.811 *12 B 0.40669811001589 0.73034434886591 0.58759884581270 10.811 13 B 0.75899137549581 0.92261426029691 0.08450122895970 10.811 *14 B 0.92100429404197 0.32610540578366 0.59874002214418 10.811 15 B 0.92261426029691 0.24100862450419 0.91549877104030 10.811 16 B 0.23034434886591 0.90669811001589 0.91240115418730 10.811 17 B 0.24834512021287 0.73456743101507 0.08478561766534 10.811 18 B 0.62872063238559 0.38469152627088 0.87625813266400 10.811 19 B 0.24100862450419 0.07738573970309 0.08450122895970 10.811 20 B 0.74100862450419 0.42261426029691 0.58450122895970 10.811 21 B 0.30593285990576 0.90125110079795 0.58327892889255 10.811 22 B 0.25165487978714 0.23456743101507 0.58478561766534 10.811 23 B 0.12872063238559 0.11530847372912 0.37625813266400 10.811 24 B 0.40125110079795 0.80593285990576 0.91672107110745 10.811 25 B 0.61530847372912 0.62872063238559 0.12374186733600 10.811 26 B 0.90669811001589 0.76965565113409 0.08759884581270 10.811 27 B 0.23456743101507 0.74834512021287 0.41521438233466 10.811 28 B 0.57738573970309 0.74100862450419 0.41549877104030 10.811 29 B 0.76965565113409 0.09330188998411 0.91240115418730 10.811 30 B 0.42261426029691 0.25899137549581 0.41549877104030 10.811 31 B 0.26965565113409 0.40669811001589 0.41240115418730 10.811 32 B 0.26543256898493 0.24834512021287 0.91521438233466 10.811 33 B 0.87127936761441 0.88469152627088 0.37625813266400 10.811 34 B 0.17389459421634 0.57899570595803 0.90125997785582 10.811 35 B 0.82610540578366 0.42100429404197 0.90125997785582 10.811 36 B 0.90125110079795 0.69406714009424 0.41672107110745 10.811 37 B 0.25899137549581 0.57738573970309 0.58450122895970 10.811 38 B 0.11530847372912 0.87127936761441 0.62374186733600 10.811 39 B 0.09874889920205 0.30593285990576 0.41672107110745 10.811 40 B 0.73034434886591 0.59330188998411 0.41240115418730 10.811 41 B 0.32610540578366 0.07899570595803 0.40125997785582 10.811 42 B 0.38469152627088 0.37127936761441 0.12374186733600 10.811 43 B 0.67389459421634 0.92100429404197 0.40125997785582 10.811 44 B 0.59330188998411 0.26965565113409 0.58759884581270 10.811 45 B 0.69406714009424 0.09874889920205 0.58327892889255 10.811 46 B 0.59874889920205 0.19406714009424 0.91672107110745 10.811 47 B 0.74834512021287 0.76543256898493 0.58478561766534 10.811 48 B 0.09330188998411 0.23034434886591 0.08759884581270 10.811 49 B 0.42100429404197 0.17389459421634 0.09874002214418 10.811 50 B 0.88469152627088 0.12872063238559 0.62374186733600 10.811 51 B 0.57899570595803 0.82610540578366 0.09874002214418 10.811 52 B 0.07899570595803 0.67389459421634 0.59874002214418 10.811 *53 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 54 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.931606400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.931606400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.064217090000000 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 2 *3 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 3 4 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 4 *5 B 0.80593285990576 0.59874889920205 0.08327892889255 10.811 > 5 *6 B 0.07738573970309 0.75899137549581 0.91549877104030 10.811 > 6 *7 B 0.37127936761441 0.61530847372912 0.87625813266400 10.811 > 7 *8 B 0.73456743101507 0.75165487978713 0.91521438233466 10.811 > 8 9 B 0.76543256898493 0.25165487978714 0.41521438233466 10.811 > 9 10 B 0.19406714009424 0.40125110079795 0.08327892889255 10.811 > 10 11 B 0.75165487978713 0.26543256898493 0.08478561766534 10.811 > 11 *12 B 0.40669811001589 0.73034434886591 0.58759884581270 10.811 > 12 13 B 0.75899137549581 0.92261426029691 0.08450122895970 10.811 > 13 *14 B 0.92100429404197 0.32610540578366 0.59874002214418 10.811 > 14 15 B 0.92261426029691 0.24100862450419 0.91549877104030 10.811 > 15 16 B 0.23034434886591 0.90669811001589 0.91240115418730 10.811 > 16 17 B 0.24834512021287 0.73456743101507 0.08478561766534 10.811 > 17 18 B 0.62872063238559 0.38469152627088 0.87625813266400 10.811 > 18 19 B 0.24100862450419 0.07738573970309 0.08450122895970 10.811 > 19 20 B 0.74100862450419 0.42261426029691 0.58450122895970 10.811 > 20 21 B 0.30593285990576 0.90125110079795 0.58327892889255 10.811 > 21 22 B 0.25165487978714 0.23456743101507 0.58478561766534 10.811 > 22 23 B 0.12872063238559 0.11530847372912 0.37625813266400 10.811 > 23 24 B 0.40125110079795 0.80593285990576 0.91672107110745 10.811 > 24 25 B 0.61530847372912 0.62872063238559 0.12374186733600 10.811 > 25 26 B 0.90669811001589 0.76965565113409 0.08759884581270 10.811 > 26 27 B 0.23456743101507 0.74834512021287 0.41521438233466 10.811 > 27 28 B 0.57738573970309 0.74100862450419 0.41549877104030 10.811 > 28 29 B 0.76965565113409 0.09330188998411 0.91240115418730 10.811 > 29 30 B 0.42261426029691 0.25899137549581 0.41549877104030 10.811 > 30 31 B 0.26965565113409 0.40669811001589 0.41240115418730 10.811 > 31 32 B 0.26543256898493 0.24834512021287 0.91521438233466 10.811 > 32 33 B 0.87127936761441 0.88469152627088 0.37625813266400 10.811 > 33 34 B 0.17389459421634 0.57899570595803 0.90125997785582 10.811 > 34 35 B 0.82610540578366 0.42100429404197 0.90125997785582 10.811 > 35 36 B 0.90125110079795 0.69406714009424 0.41672107110745 10.811 > 36 37 B 0.25899137549581 0.57738573970309 0.58450122895970 10.811 > 37 38 B 0.11530847372912 0.87127936761441 0.62374186733600 10.811 > 38 39 B 0.09874889920205 0.30593285990576 0.41672107110745 10.811 > 39 40 B 0.73034434886591 0.59330188998411 0.41240115418730 10.811 > 40 41 B 0.32610540578366 0.07899570595803 0.40125997785582 10.811 > 41 42 B 0.38469152627088 0.37127936761441 0.12374186733600 10.811 > 42 43 B 0.67389459421634 0.92100429404197 0.40125997785582 10.811 > 43 44 B 0.59330188998411 0.26965565113409 0.58759884581270 10.811 > 44 45 B 0.69406714009424 0.09874889920205 0.58327892889255 10.811 > 45 46 B 0.59874889920205 0.19406714009424 0.91672107110745 10.811 > 46 47 B 0.74834512021287 0.76543256898493 0.58478561766534 10.811 > 47 48 B 0.09330188998411 0.23034434886591 0.08759884581270 10.811 > 48 49 B 0.42100429404197 0.17389459421634 0.09874002214418 10.811 > 49 50 B 0.88469152627088 0.12872063238559 0.62374186733600 10.811 > 50 51 B 0.57899570595803 0.82610540578366 0.09874002214418 10.811 > 51 52 B 0.07899570595803 0.67389459421634 0.59874002214418 10.811 > 52 *53 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 > 53 54 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 54 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.931606400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.931606400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.128434179999999 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 1 3 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 2 4 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 2 *5 Mg 0.50000000000000 0.00000000000000 0.37500000000000 24.305 > 3 6 Mg 0.50000000000000 0.00000000000000 0.87500000000000 24.305 > 3 7 Mg 0.00000000000000 0.50000000000000 0.12500000000000 24.305 > 4 8 Mg 0.00000000000000 0.50000000000000 0.62500000000000 24.305 > 4 *9 B 0.80593285990576 0.59874889920205 0.04163946444627 10.811 > 5 10 B 0.80593285990576 0.59874889920205 0.54163946444627 10.811 > 5 *11 B 0.07738573970309 0.75899137549581 0.45774938552015 10.811 > 6 12 B 0.07738573970309 0.75899137549581 0.95774938552015 10.811 > 6 *13 B 0.37127936761441 0.61530847372912 0.43812906633200 10.811 > 7 14 B 0.37127936761441 0.61530847372912 0.93812906633200 10.811 > 7 *15 B 0.73456743101507 0.75165487978713 0.45760719116733 10.811 > 8 16 B 0.73456743101507 0.75165487978713 0.95760719116733 10.811 > 8 17 B 0.76543256898493 0.25165487978714 0.20760719116733 10.811 > 9 18 B 0.76543256898493 0.25165487978714 0.70760719116733 10.811 > 9 19 B 0.19406714009424 0.40125110079795 0.04163946444627 10.811 > 10 20 B 0.19406714009424 0.40125110079795 0.54163946444627 10.811 > 10 21 B 0.75165487978713 0.26543256898493 0.04239280883267 10.811 > 11 22 B 0.75165487978713 0.26543256898493 0.54239280883267 10.811 > 11 *23 B 0.40669811001589 0.73034434886591 0.29379942290635 10.811 > 12 24 B 0.40669811001589 0.73034434886591 0.79379942290635 10.811 > 12 25 B 0.75899137549581 0.92261426029691 0.04225061447985 10.811 > 13 26 B 0.75899137549581 0.92261426029691 0.54225061447985 10.811 > 13 *27 B 0.92100429404197 0.32610540578366 0.29937001107209 10.811 > 14 28 B 0.92100429404197 0.32610540578366 0.79937001107209 10.811 > 14 29 B 0.92261426029691 0.24100862450419 0.45774938552015 10.811 > 15 30 B 0.92261426029691 0.24100862450419 0.95774938552015 10.811 > 15 31 B 0.23034434886591 0.90669811001589 0.45620057709365 10.811 > 16 32 B 0.23034434886591 0.90669811001589 0.95620057709365 10.811 > 16 33 B 0.24834512021287 0.73456743101507 0.04239280883267 10.811 > 17 34 B 0.24834512021287 0.73456743101507 0.54239280883267 10.811 > 17 35 B 0.62872063238559 0.38469152627088 0.43812906633200 10.811 > 18 36 B 0.62872063238559 0.38469152627088 0.93812906633200 10.811 > 18 37 B 0.24100862450419 0.07738573970309 0.04225061447985 10.811 > 19 38 B 0.24100862450419 0.07738573970309 0.54225061447985 10.811 > 19 39 B 0.74100862450419 0.42261426029691 0.29225061447985 10.811 > 20 40 B 0.74100862450419 0.42261426029691 0.79225061447985 10.811 > 20 41 B 0.30593285990576 0.90125110079795 0.29163946444627 10.811 > 21 42 B 0.30593285990576 0.90125110079795 0.79163946444627 10.811 > 21 43 B 0.25165487978714 0.23456743101507 0.29239280883267 10.811 > 22 44 B 0.25165487978714 0.23456743101507 0.79239280883267 10.811 > 22 45 B 0.12872063238559 0.11530847372912 0.18812906633200 10.811 > 23 46 B 0.12872063238559 0.11530847372912 0.68812906633200 10.811 > 23 47 B 0.40125110079795 0.80593285990576 0.45836053555373 10.811 > 24 48 B 0.40125110079795 0.80593285990576 0.95836053555373 10.811 > 24 49 B 0.61530847372912 0.62872063238559 0.06187093366800 10.811 > 25 50 B 0.61530847372912 0.62872063238559 0.56187093366800 10.811 > 25 51 B 0.90669811001589 0.76965565113409 0.04379942290635 10.811 > 26 52 B 0.90669811001589 0.76965565113409 0.54379942290635 10.811 > 26 53 B 0.23456743101507 0.74834512021287 0.20760719116733 10.811 > 27 54 B 0.23456743101507 0.74834512021287 0.70760719116733 10.811 > 27 55 B 0.57738573970309 0.74100862450419 0.20774938552015 10.811 > 28 56 B 0.57738573970309 0.74100862450419 0.70774938552015 10.811 > 28 57 B 0.76965565113409 0.09330188998411 0.45620057709365 10.811 > 29 58 B 0.76965565113409 0.09330188998411 0.95620057709365 10.811 > 29 59 B 0.42261426029691 0.25899137549581 0.20774938552015 10.811 > 30 60 B 0.42261426029691 0.25899137549581 0.70774938552015 10.811 > 30 61 B 0.26965565113409 0.40669811001589 0.20620057709365 10.811 > 31 62 B 0.26965565113409 0.40669811001589 0.70620057709365 10.811 > 31 63 B 0.26543256898493 0.24834512021287 0.45760719116733 10.811 > 32 64 B 0.26543256898493 0.24834512021287 0.95760719116733 10.811 > 32 65 B 0.87127936761441 0.88469152627088 0.18812906633200 10.811 > 33 66 B 0.87127936761441 0.88469152627088 0.68812906633200 10.811 > 33 67 B 0.17389459421634 0.57899570595803 0.45062998892791 10.811 > 34 68 B 0.17389459421634 0.57899570595803 0.95062998892791 10.811 > 34 69 B 0.82610540578366 0.42100429404197 0.45062998892791 10.811 > 35 70 B 0.82610540578366 0.42100429404197 0.95062998892791 10.811 > 35 71 B 0.90125110079795 0.69406714009424 0.20836053555373 10.811 > 36 72 B 0.90125110079795 0.69406714009424 0.70836053555373 10.811 > 36 73 B 0.25899137549581 0.57738573970309 0.29225061447985 10.811 > 37 74 B 0.25899137549581 0.57738573970309 0.79225061447985 10.811 > 37 75 B 0.11530847372912 0.87127936761441 0.31187093366800 10.811 > 38 76 B 0.11530847372912 0.87127936761441 0.81187093366800 10.811 > 38 77 B 0.09874889920205 0.30593285990576 0.20836053555373 10.811 > 39 78 B 0.09874889920205 0.30593285990576 0.70836053555373 10.811 > 39 79 B 0.73034434886591 0.59330188998411 0.20620057709365 10.811 > 40 80 B 0.73034434886591 0.59330188998411 0.70620057709365 10.811 > 40 81 B 0.32610540578366 0.07899570595803 0.20062998892791 10.811 > 41 82 B 0.32610540578366 0.07899570595803 0.70062998892791 10.811 > 41 83 B 0.38469152627088 0.37127936761441 0.06187093366800 10.811 > 42 84 B 0.38469152627088 0.37127936761441 0.56187093366800 10.811 > 42 85 B 0.67389459421634 0.92100429404197 0.20062998892791 10.811 > 43 86 B 0.67389459421634 0.92100429404197 0.70062998892791 10.811 > 43 87 B 0.59330188998411 0.26965565113409 0.29379942290635 10.811 > 44 88 B 0.59330188998411 0.26965565113409 0.79379942290635 10.811 > 44 89 B 0.69406714009424 0.09874889920205 0.29163946444627 10.811 > 45 90 B 0.69406714009424 0.09874889920205 0.79163946444627 10.811 > 45 91 B 0.59874889920205 0.19406714009424 0.45836053555373 10.811 > 46 92 B 0.59874889920205 0.19406714009424 0.95836053555373 10.811 > 46 93 B 0.74834512021287 0.76543256898493 0.29239280883267 10.811 > 47 94 B 0.74834512021287 0.76543256898493 0.79239280883267 10.811 > 47 95 B 0.09330188998411 0.23034434886591 0.04379942290635 10.811 > 48 96 B 0.09330188998411 0.23034434886591 0.54379942290635 10.811 > 48 97 B 0.42100429404197 0.17389459421634 0.04937001107209 10.811 > 49 98 B 0.42100429404197 0.17389459421634 0.54937001107209 10.811 > 49 99 B 0.88469152627088 0.12872063238559 0.31187093366800 10.811 > 50 100 B 0.88469152627088 0.12872063238559 0.81187093366800 10.811 > 50 101 B 0.57899570595803 0.82610540578366 0.04937001107209 10.811 > 51 102 B 0.57899570595803 0.82610540578366 0.54937001107209 10.811 > 51 103 B 0.07899570595803 0.67389459421634 0.29937001107209 10.811 > 52 104 B 0.07899570595803 0.67389459421634 0.79937001107209 10.811 > 52 *105 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 53 106 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 53 107 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 54 108 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 54 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3550101 0.0000000 0.0000000 0.0000000 8.3550101 0.0000000 0.0000000 0.0000000 8.0301468 -------------------------- Born effective charges -------------------------- 1 Mg 2.3947898 -0.0167356 -0.0000000 0.0167356 2.3947898 -0.0000000 0.0000000 -0.0000000 2.2480815 2 Mg 2.3947898 0.0167356 -0.0000000 -0.0167356 2.3947898 -0.0000000 0.0000000 -0.0000000 2.2480815 3 Mg 2.5652108 0.0674660 -0.0000000 0.0674660 2.5652108 -0.0000000 0.0000000 -0.0000000 2.0365945 4 Mg 2.5652108 -0.0674660 -0.0000000 -0.0674660 2.5652108 -0.0000000 0.0000000 -0.0000000 2.0365945 5 B -0.3411227 0.0665487 0.1575346 -0.0823254 0.2003335 0.1879636 0.0180439 0.2910284 -0.0709577 6 B 0.1314748 0.0738166 -0.1476758 0.0272887 -0.4140873 0.1217155 -0.2188999 0.0359374 -0.1053992 7 B 0.5087771 -0.5945795 0.3695788 -0.5422318 0.4894798 -0.3148775 0.3096209 -0.3807089 -0.0564371 8 B -0.3439303 -0.0346017 -0.0531351 -0.0605236 -0.4230833 -0.0357247 0.0415202 -0.1145084 0.0880714 9 B -0.3439303 0.0346017 0.0531351 0.0605236 -0.4230833 -0.0357247 -0.0415202 -0.1145084 0.0880714 10 B -0.3411227 0.0665487 -0.1575346 -0.0823254 0.2003335 -0.1879636 -0.0180439 -0.2910284 -0.0709577 11 B -0.4230833 0.0605236 0.0357247 0.0346017 -0.3439303 -0.0531351 0.1145084 0.0415202 0.0880714 12 B -0.2073825 0.0589517 -0.1560892 0.0387065 -0.7294977 0.0309320 -0.1526723 -0.0112614 -0.3244346 13 B -0.4140873 -0.0272887 -0.1217155 -0.0738166 0.1314748 -0.1476758 -0.0359374 -0.2188999 -0.1053992 14 B 0.1387709 0.1280923 -0.0703332 0.0070863 -0.4398172 0.1582169 -0.2805766 0.1218192 -0.2724220 15 B 0.1314748 0.0738166 0.1476758 0.0272887 -0.4140873 -0.1217155 0.2188999 -0.0359374 -0.1053992 16 B -0.7294977 0.0387065 -0.0309320 0.0589517 -0.2073825 0.1560892 0.0112614 0.1526723 -0.3244346 17 B -0.4230833 0.0605236 -0.0357247 0.0346017 -0.3439303 0.0531351 -0.1145084 -0.0415202 0.0880714 18 B 0.5087771 -0.5945795 -0.3695788 -0.5422318 0.4894798 0.3148775 -0.3096209 0.3807089 -0.0564371 19 B -0.4140873 -0.0272887 0.1217155 -0.0738166 0.1314748 0.1476758 0.0359374 0.2188999 -0.1053992 20 B -0.4140873 0.0272887 0.1217155 0.0738166 0.1314748 -0.1476758 0.0359374 -0.2188999 -0.1053992 21 B -0.3411227 -0.0665487 0.1575346 0.0823254 0.2003335 -0.1879636 0.0180439 -0.2910284 -0.0709577 22 B -0.4230833 -0.0605236 0.0357247 -0.0346017 -0.3439303 0.0531351 0.1145084 -0.0415202 0.0880714 23 B 0.5087771 0.5945795 -0.3695788 0.5422318 0.4894798 -0.3148775 -0.3096209 -0.3807089 -0.0564371 24 B 0.2003335 0.0823254 0.1879636 -0.0665487 -0.3411227 -0.1575346 0.2910284 -0.0180439 -0.0709577 25 B 0.4894798 0.5422318 0.3148775 0.5945795 0.5087771 0.3695788 0.3807089 0.3096209 -0.0564371 26 B -0.2073825 -0.0589517 -0.1560892 -0.0387065 -0.7294977 -0.0309320 -0.1526723 0.0112614 -0.3244346 27 B -0.3439303 0.0346017 -0.0531351 0.0605236 -0.4230833 0.0357247 0.0415202 0.1145084 0.0880714 28 B 0.1314748 -0.0738166 -0.1476758 -0.0272887 -0.4140873 -0.1217155 -0.2188999 -0.0359374 -0.1053992 29 B -0.7294977 0.0387065 0.0309320 0.0589517 -0.2073825 -0.1560892 -0.0112614 -0.1526723 -0.3244346 30 B 0.1314748 -0.0738166 0.1476758 -0.0272887 -0.4140873 0.1217155 0.2188999 0.0359374 -0.1053992 31 B -0.7294977 -0.0387065 0.0309320 -0.0589517 -0.2073825 0.1560892 -0.0112614 0.1526723 -0.3244346 32 B -0.3439303 -0.0346017 0.0531351 -0.0605236 -0.4230833 0.0357247 -0.0415202 0.1145084 0.0880714 33 B 0.5087771 0.5945795 0.3695788 0.5422318 0.4894798 0.3148775 0.3096209 0.3807089 -0.0564371 34 B -0.4398172 0.0070863 0.1582169 0.1280923 0.1387709 -0.0703332 0.1218192 -0.2805766 -0.2724220 35 B -0.4398172 0.0070863 -0.1582169 0.1280923 0.1387709 0.0703332 -0.1218192 0.2805766 -0.2724220 36 B 0.2003335 -0.0823254 0.1879636 0.0665487 -0.3411227 0.1575346 0.2910284 0.0180439 -0.0709577 37 B -0.4140873 0.0272887 -0.1217155 0.0738166 0.1314748 0.1476758 -0.0359374 0.2188999 -0.1053992 38 B 0.4894798 -0.5422318 0.3148775 -0.5945795 0.5087771 -0.3695788 0.3807089 -0.3096209 -0.0564371 39 B 0.2003335 -0.0823254 -0.1879636 0.0665487 -0.3411227 -0.1575346 -0.2910284 -0.0180439 -0.0709577 40 B -0.7294977 -0.0387065 -0.0309320 -0.0589517 -0.2073825 -0.1560892 0.0112614 -0.1526723 -0.3244346 41 B -0.4398172 -0.0070863 -0.1582169 -0.1280923 0.1387709 -0.0703332 -0.1218192 -0.2805766 -0.2724220 42 B 0.4894798 0.5422318 -0.3148775 0.5945795 0.5087771 -0.3695788 -0.3807089 -0.3096209 -0.0564371 43 B -0.4398172 -0.0070863 0.1582169 -0.1280923 0.1387709 0.0703332 0.1218192 0.2805766 -0.2724220 44 B -0.2073825 0.0589517 0.1560892 0.0387065 -0.7294977 -0.0309320 0.1526723 0.0112614 -0.3244346 45 B -0.3411227 -0.0665487 -0.1575346 0.0823254 0.2003335 0.1879636 -0.0180439 0.2910284 -0.0709577 46 B 0.2003335 0.0823254 -0.1879636 -0.0665487 -0.3411227 0.1575346 -0.2910284 0.0180439 -0.0709577 47 B -0.4230833 -0.0605236 -0.0357247 -0.0346017 -0.3439303 -0.0531351 -0.1145084 0.0415202 0.0880714 48 B -0.2073825 -0.0589517 0.1560892 -0.0387065 -0.7294977 0.0309320 0.1526723 -0.0112614 -0.3244346 49 B 0.1387709 -0.1280923 -0.0703332 -0.0070863 -0.4398172 -0.1582169 -0.2805766 -0.1218192 -0.2724220 50 B 0.4894798 -0.5422318 -0.3148775 -0.5945795 0.5087771 0.3695788 -0.3807089 0.3096209 -0.0564371 51 B 0.1387709 -0.1280923 0.0703332 -0.0070863 -0.4398172 0.1582169 0.2805766 0.1218192 -0.2724220 52 B 0.1387709 0.1280923 0.0703332 0.0070863 -0.4398172 -0.1582169 0.2805766 -0.1218192 -0.2724220 53 C -2.0998310 0.0191387 -0.0000000 -0.0191387 -2.0998310 -0.0000000 0.0000000 -0.0000000 -1.3183593 54 C -2.0998310 -0.0191387 -0.0000000 0.0191387 -2.0998310 -0.0000000 0.0000000 -0.0000000 -1.3183593 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 26406/26406 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3367 Number of blocks in projector: 3367 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 1440 Use submatrix version of eigh solver. (1) Block: 500 / 1440 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1440 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1440 / 1440 (1) 416 eigenvectors found. (1) Complementary block size: 72 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 765 Use submatrix version of eigh solver. (1) Block: 500 / 765 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 765 / 765 (1) 252 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 4 --- Block_size: 762 Use submatrix version of eigh solver. (1) Block: 500 / 762 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 762 / 762 (1) 249 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 4 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3367, 3304), data: False |-- (400, 391), data: True |-- (762, 747), data: False |-- (762, 13), data: (762, 28) @ (28, 13) |-- (262, 249), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (765, 750), data: False |-- (765, 13), data: (765, 28) @ (28, 13) |-- (265, 252), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1440, 1416), data: False |-- (1440, 48), data: (1440, 72) @ (72, 48) |-- (440, 416), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 880 - Time: 0.879 Solver_block: 200 / 880 - Time: 0.771 Solver_block: 300 / 880 - Time: 0.772 Solver_block: 400 / 880 - Time: 0.774 Solver_block: 500 / 880 - Time: 0.781 Solver_block: 600 / 880 - Time: 0.771 Solver_block: 700 / 880 - Time: 0.777 Solver_block: 800 / 880 - Time: 0.771 Solver_block: 880 / 880 - Time: 0.660 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.117 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 324/324 Permutation basis: 26406/26406 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3367 Number of blocks in projector: 3367 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 1440 Use submatrix version of eigh solver. (1) Block: 500 / 1440 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1440 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1440 / 1440 (1) 416 eigenvectors found. (1) Complementary block size: 72 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 765 Use submatrix version of eigh solver. (1) Block: 500 / 765 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 765 / 765 (1) 252 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 3 / 4 --- Block_size: 762 Use submatrix version of eigh solver. (1) Block: 500 / 762 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 762 / 762 (1) 249 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 4 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3367, 3304), data: False |-- (400, 391), data: True |-- (762, 747), data: False |-- (762, 13), data: (762, 28) @ (28, 13) |-- (262, 249), data: True |-- (500, 485), data: False |-- (500, 15), data: (500, 30) @ (30, 15) |-- (250, 235), data: True |-- (250, 235), data: True |-- (765, 750), data: False |-- (765, 13), data: (765, 28) @ (28, 13) |-- (265, 252), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1440, 1416), data: False |-- (1440, 48), data: (1440, 72) @ (72, 48) |-- (440, 416), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:07:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:07:26]------------------------- Compiled with OpenMP support (max 48 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-4n2 (118) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.931606400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.931606400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.064217090000000 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 3 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 4 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 5 B 0.80593285990576 0.59874889920205 0.08327892889255 10.811 6 B 0.07738573970309 0.75899137549581 0.91549877104030 10.811 7 B 0.37127936761441 0.61530847372912 0.87625813266400 10.811 8 B 0.73456743101507 0.75165487978713 0.91521438233466 10.811 9 B 0.76543256898493 0.25165487978714 0.41521438233466 10.811 10 B 0.19406714009424 0.40125110079795 0.08327892889255 10.811 11 B 0.75165487978713 0.26543256898493 0.08478561766534 10.811 12 B 0.40669811001589 0.73034434886591 0.58759884581270 10.811 13 B 0.75899137549581 0.92261426029691 0.08450122895970 10.811 14 B 0.92100429404197 0.32610540578366 0.59874002214418 10.811 15 B 0.92261426029691 0.24100862450419 0.91549877104030 10.811 16 B 0.23034434886591 0.90669811001589 0.91240115418730 10.811 17 B 0.24834512021287 0.73456743101507 0.08478561766534 10.811 18 B 0.62872063238559 0.38469152627088 0.87625813266400 10.811 19 B 0.24100862450419 0.07738573970309 0.08450122895970 10.811 20 B 0.74100862450419 0.42261426029691 0.58450122895970 10.811 21 B 0.30593285990576 0.90125110079795 0.58327892889255 10.811 22 B 0.25165487978714 0.23456743101507 0.58478561766534 10.811 23 B 0.12872063238559 0.11530847372912 0.37625813266400 10.811 24 B 0.40125110079795 0.80593285990576 0.91672107110745 10.811 25 B 0.61530847372912 0.62872063238559 0.12374186733600 10.811 26 B 0.90669811001589 0.76965565113409 0.08759884581270 10.811 27 B 0.23456743101507 0.74834512021287 0.41521438233466 10.811 28 B 0.57738573970309 0.74100862450419 0.41549877104030 10.811 29 B 0.76965565113409 0.09330188998411 0.91240115418730 10.811 30 B 0.42261426029691 0.25899137549581 0.41549877104030 10.811 31 B 0.26965565113409 0.40669811001589 0.41240115418730 10.811 32 B 0.26543256898493 0.24834512021287 0.91521438233466 10.811 33 B 0.87127936761441 0.88469152627088 0.37625813266400 10.811 34 B 0.17389459421634 0.57899570595803 0.90125997785582 10.811 35 B 0.82610540578366 0.42100429404197 0.90125997785582 10.811 36 B 0.90125110079795 0.69406714009424 0.41672107110745 10.811 37 B 0.25899137549581 0.57738573970309 0.58450122895970 10.811 38 B 0.11530847372912 0.87127936761441 0.62374186733600 10.811 39 B 0.09874889920205 0.30593285990576 0.41672107110745 10.811 40 B 0.73034434886591 0.59330188998411 0.41240115418730 10.811 41 B 0.32610540578366 0.07899570595803 0.40125997785582 10.811 42 B 0.38469152627088 0.37127936761441 0.12374186733600 10.811 43 B 0.67389459421634 0.92100429404197 0.40125997785582 10.811 44 B 0.59330188998411 0.26965565113409 0.58759884581270 10.811 45 B 0.69406714009424 0.09874889920205 0.58327892889255 10.811 46 B 0.59874889920205 0.19406714009424 0.91672107110745 10.811 47 B 0.74834512021287 0.76543256898493 0.58478561766534 10.811 48 B 0.09330188998411 0.23034434886591 0.08759884581270 10.811 49 B 0.42100429404197 0.17389459421634 0.09874002214418 10.811 50 B 0.88469152627088 0.12872063238559 0.62374186733600 10.811 51 B 0.57899570595803 0.82610540578366 0.09874002214418 10.811 52 B 0.07899570595803 0.67389459421634 0.59874002214418 10.811 53 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 54 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.931606400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.931606400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.128434179999999 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 1 3 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 3 4 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 3 5 Mg 0.50000000000000 0.00000000000000 0.37500000000000 24.305 > 5 6 Mg 0.50000000000000 0.00000000000000 0.87500000000000 24.305 > 5 7 Mg 0.00000000000000 0.50000000000000 0.12500000000000 24.305 > 7 8 Mg 0.00000000000000 0.50000000000000 0.62500000000000 24.305 > 7 9 B 0.80593285990576 0.59874889920205 0.04163946444627 10.811 > 9 10 B 0.80593285990576 0.59874889920205 0.54163946444627 10.811 > 9 11 B 0.07738573970309 0.75899137549581 0.45774938552015 10.811 > 11 12 B 0.07738573970309 0.75899137549581 0.95774938552015 10.811 > 11 13 B 0.37127936761441 0.61530847372912 0.43812906633200 10.811 > 13 14 B 0.37127936761441 0.61530847372912 0.93812906633200 10.811 > 13 15 B 0.73456743101507 0.75165487978713 0.45760719116733 10.811 > 15 16 B 0.73456743101507 0.75165487978713 0.95760719116733 10.811 > 15 17 B 0.76543256898493 0.25165487978714 0.20760719116733 10.811 > 17 18 B 0.76543256898493 0.25165487978714 0.70760719116733 10.811 > 17 19 B 0.19406714009424 0.40125110079795 0.04163946444627 10.811 > 19 20 B 0.19406714009424 0.40125110079795 0.54163946444627 10.811 > 19 21 B 0.75165487978713 0.26543256898493 0.04239280883267 10.811 > 21 22 B 0.75165487978713 0.26543256898493 0.54239280883267 10.811 > 21 23 B 0.40669811001589 0.73034434886591 0.29379942290635 10.811 > 23 24 B 0.40669811001589 0.73034434886591 0.79379942290635 10.811 > 23 25 B 0.75899137549581 0.92261426029691 0.04225061447985 10.811 > 25 26 B 0.75899137549581 0.92261426029691 0.54225061447985 10.811 > 25 27 B 0.92100429404197 0.32610540578366 0.29937001107209 10.811 > 27 28 B 0.92100429404197 0.32610540578366 0.79937001107209 10.811 > 27 29 B 0.92261426029691 0.24100862450419 0.45774938552015 10.811 > 29 30 B 0.92261426029691 0.24100862450419 0.95774938552015 10.811 > 29 31 B 0.23034434886591 0.90669811001589 0.45620057709365 10.811 > 31 32 B 0.23034434886591 0.90669811001589 0.95620057709365 10.811 > 31 33 B 0.24834512021287 0.73456743101507 0.04239280883267 10.811 > 33 34 B 0.24834512021287 0.73456743101507 0.54239280883267 10.811 > 33 35 B 0.62872063238559 0.38469152627088 0.43812906633200 10.811 > 35 36 B 0.62872063238559 0.38469152627088 0.93812906633200 10.811 > 35 37 B 0.24100862450419 0.07738573970309 0.04225061447985 10.811 > 37 38 B 0.24100862450419 0.07738573970309 0.54225061447985 10.811 > 37 39 B 0.74100862450419 0.42261426029691 0.29225061447985 10.811 > 39 40 B 0.74100862450419 0.42261426029691 0.79225061447985 10.811 > 39 41 B 0.30593285990576 0.90125110079795 0.29163946444627 10.811 > 41 42 B 0.30593285990576 0.90125110079795 0.79163946444627 10.811 > 41 43 B 0.25165487978714 0.23456743101507 0.29239280883267 10.811 > 43 44 B 0.25165487978714 0.23456743101507 0.79239280883267 10.811 > 43 45 B 0.12872063238559 0.11530847372912 0.18812906633200 10.811 > 45 46 B 0.12872063238559 0.11530847372912 0.68812906633200 10.811 > 45 47 B 0.40125110079795 0.80593285990576 0.45836053555373 10.811 > 47 48 B 0.40125110079795 0.80593285990576 0.95836053555373 10.811 > 47 49 B 0.61530847372912 0.62872063238559 0.06187093366800 10.811 > 49 50 B 0.61530847372912 0.62872063238559 0.56187093366800 10.811 > 49 51 B 0.90669811001589 0.76965565113409 0.04379942290635 10.811 > 51 52 B 0.90669811001589 0.76965565113409 0.54379942290635 10.811 > 51 53 B 0.23456743101507 0.74834512021287 0.20760719116733 10.811 > 53 54 B 0.23456743101507 0.74834512021287 0.70760719116733 10.811 > 53 55 B 0.57738573970309 0.74100862450419 0.20774938552015 10.811 > 55 56 B 0.57738573970309 0.74100862450419 0.70774938552015 10.811 > 55 57 B 0.76965565113409 0.09330188998411 0.45620057709365 10.811 > 57 58 B 0.76965565113409 0.09330188998411 0.95620057709365 10.811 > 57 59 B 0.42261426029691 0.25899137549581 0.20774938552015 10.811 > 59 60 B 0.42261426029691 0.25899137549581 0.70774938552015 10.811 > 59 61 B 0.26965565113409 0.40669811001589 0.20620057709365 10.811 > 61 62 B 0.26965565113409 0.40669811001589 0.70620057709365 10.811 > 61 63 B 0.26543256898493 0.24834512021287 0.45760719116733 10.811 > 63 64 B 0.26543256898493 0.24834512021287 0.95760719116733 10.811 > 63 65 B 0.87127936761441 0.88469152627088 0.18812906633200 10.811 > 65 66 B 0.87127936761441 0.88469152627088 0.68812906633200 10.811 > 65 67 B 0.17389459421634 0.57899570595803 0.45062998892791 10.811 > 67 68 B 0.17389459421634 0.57899570595803 0.95062998892791 10.811 > 67 69 B 0.82610540578366 0.42100429404197 0.45062998892791 10.811 > 69 70 B 0.82610540578366 0.42100429404197 0.95062998892791 10.811 > 69 71 B 0.90125110079795 0.69406714009424 0.20836053555373 10.811 > 71 72 B 0.90125110079795 0.69406714009424 0.70836053555373 10.811 > 71 73 B 0.25899137549581 0.57738573970309 0.29225061447985 10.811 > 73 74 B 0.25899137549581 0.57738573970309 0.79225061447985 10.811 > 73 75 B 0.11530847372912 0.87127936761441 0.31187093366800 10.811 > 75 76 B 0.11530847372912 0.87127936761441 0.81187093366800 10.811 > 75 77 B 0.09874889920205 0.30593285990576 0.20836053555373 10.811 > 77 78 B 0.09874889920205 0.30593285990576 0.70836053555373 10.811 > 77 79 B 0.73034434886591 0.59330188998411 0.20620057709365 10.811 > 79 80 B 0.73034434886591 0.59330188998411 0.70620057709365 10.811 > 79 81 B 0.32610540578366 0.07899570595803 0.20062998892791 10.811 > 81 82 B 0.32610540578366 0.07899570595803 0.70062998892791 10.811 > 81 83 B 0.38469152627088 0.37127936761441 0.06187093366800 10.811 > 83 84 B 0.38469152627088 0.37127936761441 0.56187093366800 10.811 > 83 85 B 0.67389459421634 0.92100429404197 0.20062998892791 10.811 > 85 86 B 0.67389459421634 0.92100429404197 0.70062998892791 10.811 > 85 87 B 0.59330188998411 0.26965565113409 0.29379942290635 10.811 > 87 88 B 0.59330188998411 0.26965565113409 0.79379942290635 10.811 > 87 89 B 0.69406714009424 0.09874889920205 0.29163946444627 10.811 > 89 90 B 0.69406714009424 0.09874889920205 0.79163946444627 10.811 > 89 91 B 0.59874889920205 0.19406714009424 0.45836053555373 10.811 > 91 92 B 0.59874889920205 0.19406714009424 0.95836053555373 10.811 > 91 93 B 0.74834512021287 0.76543256898493 0.29239280883267 10.811 > 93 94 B 0.74834512021287 0.76543256898493 0.79239280883267 10.811 > 93 95 B 0.09330188998411 0.23034434886591 0.04379942290635 10.811 > 95 96 B 0.09330188998411 0.23034434886591 0.54379942290635 10.811 > 95 97 B 0.42100429404197 0.17389459421634 0.04937001107209 10.811 > 97 98 B 0.42100429404197 0.17389459421634 0.54937001107209 10.811 > 97 99 B 0.88469152627088 0.12872063238559 0.31187093366800 10.811 > 99 100 B 0.88469152627088 0.12872063238559 0.81187093366800 10.811 > 99 101 B 0.57899570595803 0.82610540578366 0.04937001107209 10.811 > 101 102 B 0.57899570595803 0.82610540578366 0.54937001107209 10.811 > 101 103 B 0.07899570595803 0.67389459421634 0.29937001107209 10.811 > 103 104 B 0.07899570595803 0.67389459421634 0.79937001107209 10.811 > 103 105 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 105 106 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 105 107 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 107 108 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3550101 0.0000000 0.0000000 0.0000000 8.3550101 0.0000000 0.0000000 0.0000000 8.0301468 -------------------------- Born effective charges -------------------------- 1 Mg 2.3947898 -0.0167356 -0.0000000 0.0167356 2.3947898 -0.0000000 0.0000000 -0.0000000 2.2480815 2 Mg 2.3947898 0.0167356 -0.0000000 -0.0167356 2.3947898 -0.0000000 0.0000000 -0.0000000 2.2480815 3 Mg 2.5652108 0.0674660 -0.0000000 0.0674660 2.5652108 -0.0000000 0.0000000 -0.0000000 2.0365945 4 Mg 2.5652108 -0.0674660 -0.0000000 -0.0674660 2.5652108 -0.0000000 0.0000000 -0.0000000 2.0365945 5 B -0.3411227 0.0665487 0.1575346 -0.0823254 0.2003335 0.1879636 0.0180439 0.2910284 -0.0709577 6 B 0.1314748 0.0738166 -0.1476758 0.0272887 -0.4140873 0.1217155 -0.2188999 0.0359374 -0.1053992 7 B 0.5087771 -0.5945795 0.3695788 -0.5422318 0.4894798 -0.3148775 0.3096209 -0.3807089 -0.0564371 8 B -0.3439303 -0.0346017 -0.0531351 -0.0605236 -0.4230833 -0.0357247 0.0415202 -0.1145084 0.0880714 9 B -0.3439303 0.0346017 0.0531351 0.0605236 -0.4230833 -0.0357247 -0.0415202 -0.1145084 0.0880714 10 B -0.3411227 0.0665487 -0.1575346 -0.0823254 0.2003335 -0.1879636 -0.0180439 -0.2910284 -0.0709577 11 B -0.4230833 0.0605236 0.0357247 0.0346017 -0.3439303 -0.0531351 0.1145084 0.0415202 0.0880714 12 B -0.2073825 0.0589517 -0.1560892 0.0387065 -0.7294977 0.0309320 -0.1526723 -0.0112614 -0.3244346 13 B -0.4140873 -0.0272887 -0.1217155 -0.0738166 0.1314748 -0.1476758 -0.0359374 -0.2188999 -0.1053992 14 B 0.1387709 0.1280923 -0.0703332 0.0070863 -0.4398172 0.1582169 -0.2805766 0.1218192 -0.2724220 15 B 0.1314748 0.0738166 0.1476758 0.0272887 -0.4140873 -0.1217155 0.2188999 -0.0359374 -0.1053992 16 B -0.7294977 0.0387065 -0.0309320 0.0589517 -0.2073825 0.1560892 0.0112614 0.1526723 -0.3244346 17 B -0.4230833 0.0605236 -0.0357247 0.0346017 -0.3439303 0.0531351 -0.1145084 -0.0415202 0.0880714 18 B 0.5087771 -0.5945795 -0.3695788 -0.5422318 0.4894798 0.3148775 -0.3096209 0.3807089 -0.0564371 19 B -0.4140873 -0.0272887 0.1217155 -0.0738166 0.1314748 0.1476758 0.0359374 0.2188999 -0.1053992 20 B -0.4140873 0.0272887 0.1217155 0.0738166 0.1314748 -0.1476758 0.0359374 -0.2188999 -0.1053992 21 B -0.3411227 -0.0665487 0.1575346 0.0823254 0.2003335 -0.1879636 0.0180439 -0.2910284 -0.0709577 22 B -0.4230833 -0.0605236 0.0357247 -0.0346017 -0.3439303 0.0531351 0.1145084 -0.0415202 0.0880714 23 B 0.5087771 0.5945795 -0.3695788 0.5422318 0.4894798 -0.3148775 -0.3096209 -0.3807089 -0.0564371 24 B 0.2003335 0.0823254 0.1879636 -0.0665487 -0.3411227 -0.1575346 0.2910284 -0.0180439 -0.0709577 25 B 0.4894798 0.5422318 0.3148775 0.5945795 0.5087771 0.3695788 0.3807089 0.3096209 -0.0564371 26 B -0.2073825 -0.0589517 -0.1560892 -0.0387065 -0.7294977 -0.0309320 -0.1526723 0.0112614 -0.3244346 27 B -0.3439303 0.0346017 -0.0531351 0.0605236 -0.4230833 0.0357247 0.0415202 0.1145084 0.0880714 28 B 0.1314748 -0.0738166 -0.1476758 -0.0272887 -0.4140873 -0.1217155 -0.2188999 -0.0359374 -0.1053992 29 B -0.7294977 0.0387065 0.0309320 0.0589517 -0.2073825 -0.1560892 -0.0112614 -0.1526723 -0.3244346 30 B 0.1314748 -0.0738166 0.1476758 -0.0272887 -0.4140873 0.1217155 0.2188999 0.0359374 -0.1053992 31 B -0.7294977 -0.0387065 0.0309320 -0.0589517 -0.2073825 0.1560892 -0.0112614 0.1526723 -0.3244346 32 B -0.3439303 -0.0346017 0.0531351 -0.0605236 -0.4230833 0.0357247 -0.0415202 0.1145084 0.0880714 33 B 0.5087771 0.5945795 0.3695788 0.5422318 0.4894798 0.3148775 0.3096209 0.3807089 -0.0564371 34 B -0.4398172 0.0070863 0.1582169 0.1280923 0.1387709 -0.0703332 0.1218192 -0.2805766 -0.2724220 35 B -0.4398172 0.0070863 -0.1582169 0.1280923 0.1387709 0.0703332 -0.1218192 0.2805766 -0.2724220 36 B 0.2003335 -0.0823254 0.1879636 0.0665487 -0.3411227 0.1575346 0.2910284 0.0180439 -0.0709577 37 B -0.4140873 0.0272887 -0.1217155 0.0738166 0.1314748 0.1476758 -0.0359374 0.2188999 -0.1053992 38 B 0.4894798 -0.5422318 0.3148775 -0.5945795 0.5087771 -0.3695788 0.3807089 -0.3096209 -0.0564371 39 B 0.2003335 -0.0823254 -0.1879636 0.0665487 -0.3411227 -0.1575346 -0.2910284 -0.0180439 -0.0709577 40 B -0.7294977 -0.0387065 -0.0309320 -0.0589517 -0.2073825 -0.1560892 0.0112614 -0.1526723 -0.3244346 41 B -0.4398172 -0.0070863 -0.1582169 -0.1280923 0.1387709 -0.0703332 -0.1218192 -0.2805766 -0.2724220 42 B 0.4894798 0.5422318 -0.3148775 0.5945795 0.5087771 -0.3695788 -0.3807089 -0.3096209 -0.0564371 43 B -0.4398172 -0.0070863 0.1582169 -0.1280923 0.1387709 0.0703332 0.1218192 0.2805766 -0.2724220 44 B -0.2073825 0.0589517 0.1560892 0.0387065 -0.7294977 -0.0309320 0.1526723 0.0112614 -0.3244346 45 B -0.3411227 -0.0665487 -0.1575346 0.0823254 0.2003335 0.1879636 -0.0180439 0.2910284 -0.0709577 46 B 0.2003335 0.0823254 -0.1879636 -0.0665487 -0.3411227 0.1575346 -0.2910284 0.0180439 -0.0709577 47 B -0.4230833 -0.0605236 -0.0357247 -0.0346017 -0.3439303 -0.0531351 -0.1145084 0.0415202 0.0880714 48 B -0.2073825 -0.0589517 0.1560892 -0.0387065 -0.7294977 0.0309320 0.1526723 -0.0112614 -0.3244346 49 B 0.1387709 -0.1280923 -0.0703332 -0.0070863 -0.4398172 -0.1582169 -0.2805766 -0.1218192 -0.2724220 50 B 0.4894798 -0.5422318 -0.3148775 -0.5945795 0.5087771 0.3695788 -0.3807089 0.3096209 -0.0564371 51 B 0.1387709 -0.1280923 0.0703332 -0.0070863 -0.4398172 0.1582169 0.2805766 0.1218192 -0.2724220 52 B 0.1387709 0.1280923 0.0703332 0.0070863 -0.4398172 -0.1582169 0.2805766 -0.1218192 -0.2724220 53 C -2.0998310 0.0191387 -0.0000000 -0.0191387 -2.0998310 -0.0000000 0.0000000 -0.0000000 -1.3183593 54 C -2.0998310 -0.0191387 -0.0000000 0.0191387 -2.0998310 -0.0000000 0.0000000 -0.0000000 -1.3183593 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, 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[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 15, 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[ 23, 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[ 27, 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 0.0000 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: 0.00000017 (zzz) 0.00000017 (zzz) 0.00000017 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:07:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:07:57]------------------------- Compiled with OpenMP support (max 48 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-4n2 (118) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.931606400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.931606400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.064217090000000 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 3 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 4 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 5 B 0.80593285990576 0.59874889920205 0.08327892889255 10.811 6 B 0.07738573970309 0.75899137549581 0.91549877104030 10.811 7 B 0.37127936761441 0.61530847372912 0.87625813266400 10.811 8 B 0.73456743101507 0.75165487978713 0.91521438233466 10.811 9 B 0.76543256898493 0.25165487978714 0.41521438233466 10.811 10 B 0.19406714009424 0.40125110079795 0.08327892889255 10.811 11 B 0.75165487978713 0.26543256898493 0.08478561766534 10.811 12 B 0.40669811001589 0.73034434886591 0.58759884581270 10.811 13 B 0.75899137549581 0.92261426029691 0.08450122895970 10.811 14 B 0.92100429404197 0.32610540578366 0.59874002214418 10.811 15 B 0.92261426029691 0.24100862450419 0.91549877104030 10.811 16 B 0.23034434886591 0.90669811001589 0.91240115418730 10.811 17 B 0.24834512021287 0.73456743101507 0.08478561766534 10.811 18 B 0.62872063238559 0.38469152627088 0.87625813266400 10.811 19 B 0.24100862450419 0.07738573970309 0.08450122895970 10.811 20 B 0.74100862450419 0.42261426029691 0.58450122895970 10.811 21 B 0.30593285990576 0.90125110079795 0.58327892889255 10.811 22 B 0.25165487978714 0.23456743101507 0.58478561766534 10.811 23 B 0.12872063238559 0.11530847372912 0.37625813266400 10.811 24 B 0.40125110079795 0.80593285990576 0.91672107110745 10.811 25 B 0.61530847372912 0.62872063238559 0.12374186733600 10.811 26 B 0.90669811001589 0.76965565113409 0.08759884581270 10.811 27 B 0.23456743101507 0.74834512021287 0.41521438233466 10.811 28 B 0.57738573970309 0.74100862450419 0.41549877104030 10.811 29 B 0.76965565113409 0.09330188998411 0.91240115418730 10.811 30 B 0.42261426029691 0.25899137549581 0.41549877104030 10.811 31 B 0.26965565113409 0.40669811001589 0.41240115418730 10.811 32 B 0.26543256898493 0.24834512021287 0.91521438233466 10.811 33 B 0.87127936761441 0.88469152627088 0.37625813266400 10.811 34 B 0.17389459421634 0.57899570595803 0.90125997785582 10.811 35 B 0.82610540578366 0.42100429404197 0.90125997785582 10.811 36 B 0.90125110079795 0.69406714009424 0.41672107110745 10.811 37 B 0.25899137549581 0.57738573970309 0.58450122895970 10.811 38 B 0.11530847372912 0.87127936761441 0.62374186733600 10.811 39 B 0.09874889920205 0.30593285990576 0.41672107110745 10.811 40 B 0.73034434886591 0.59330188998411 0.41240115418730 10.811 41 B 0.32610540578366 0.07899570595803 0.40125997785582 10.811 42 B 0.38469152627088 0.37127936761441 0.12374186733600 10.811 43 B 0.67389459421634 0.92100429404197 0.40125997785582 10.811 44 B 0.59330188998411 0.26965565113409 0.58759884581270 10.811 45 B 0.69406714009424 0.09874889920205 0.58327892889255 10.811 46 B 0.59874889920205 0.19406714009424 0.91672107110745 10.811 47 B 0.74834512021287 0.76543256898493 0.58478561766534 10.811 48 B 0.09330188998411 0.23034434886591 0.08759884581270 10.811 49 B 0.42100429404197 0.17389459421634 0.09874002214418 10.811 50 B 0.88469152627088 0.12872063238559 0.62374186733600 10.811 51 B 0.57899570595803 0.82610540578366 0.09874002214418 10.811 52 B 0.07899570595803 0.67389459421634 0.59874002214418 10.811 53 C 0.00000000000000 0.00000000000000 0.50000000000000 12.011 54 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.931606400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.931606400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.128434179999999 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 1 3 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 3 4 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 3 5 Mg 0.50000000000000 0.00000000000000 0.37500000000000 24.305 > 5 6 Mg 0.50000000000000 0.00000000000000 0.87500000000000 24.305 > 5 7 Mg 0.00000000000000 0.50000000000000 0.12500000000000 24.305 > 7 8 Mg 0.00000000000000 0.50000000000000 0.62500000000000 24.305 > 7 9 B 0.80593285990576 0.59874889920205 0.04163946444627 10.811 > 9 10 B 0.80593285990576 0.59874889920205 0.54163946444627 10.811 > 9 11 B 0.07738573970309 0.75899137549581 0.45774938552015 10.811 > 11 12 B 0.07738573970309 0.75899137549581 0.95774938552015 10.811 > 11 13 B 0.37127936761441 0.61530847372912 0.43812906633200 10.811 > 13 14 B 0.37127936761441 0.61530847372912 0.93812906633200 10.811 > 13 15 B 0.73456743101507 0.75165487978713 0.45760719116733 10.811 > 15 16 B 0.73456743101507 0.75165487978713 0.95760719116733 10.811 > 15 17 B 0.76543256898493 0.25165487978714 0.20760719116733 10.811 > 17 18 B 0.76543256898493 0.25165487978714 0.70760719116733 10.811 > 17 19 B 0.19406714009424 0.40125110079795 0.04163946444627 10.811 > 19 20 B 0.19406714009424 0.40125110079795 0.54163946444627 10.811 > 19 21 B 0.75165487978713 0.26543256898493 0.04239280883267 10.811 > 21 22 B 0.75165487978713 0.26543256898493 0.54239280883267 10.811 > 21 23 B 0.40669811001589 0.73034434886591 0.29379942290635 10.811 > 23 24 B 0.40669811001589 0.73034434886591 0.79379942290635 10.811 > 23 25 B 0.75899137549581 0.92261426029691 0.04225061447985 10.811 > 25 26 B 0.75899137549581 0.92261426029691 0.54225061447985 10.811 > 25 27 B 0.92100429404197 0.32610540578366 0.29937001107209 10.811 > 27 28 B 0.92100429404197 0.32610540578366 0.79937001107209 10.811 > 27 29 B 0.92261426029691 0.24100862450419 0.45774938552015 10.811 > 29 30 B 0.92261426029691 0.24100862450419 0.95774938552015 10.811 > 29 31 B 0.23034434886591 0.90669811001589 0.45620057709365 10.811 > 31 32 B 0.23034434886591 0.90669811001589 0.95620057709365 10.811 > 31 33 B 0.24834512021287 0.73456743101507 0.04239280883267 10.811 > 33 34 B 0.24834512021287 0.73456743101507 0.54239280883267 10.811 > 33 35 B 0.62872063238559 0.38469152627088 0.43812906633200 10.811 > 35 36 B 0.62872063238559 0.38469152627088 0.93812906633200 10.811 > 35 37 B 0.24100862450419 0.07738573970309 0.04225061447985 10.811 > 37 38 B 0.24100862450419 0.07738573970309 0.54225061447985 10.811 > 37 39 B 0.74100862450419 0.42261426029691 0.29225061447985 10.811 > 39 40 B 0.74100862450419 0.42261426029691 0.79225061447985 10.811 > 39 41 B 0.30593285990576 0.90125110079795 0.29163946444627 10.811 > 41 42 B 0.30593285990576 0.90125110079795 0.79163946444627 10.811 > 41 43 B 0.25165487978714 0.23456743101507 0.29239280883267 10.811 > 43 44 B 0.25165487978714 0.23456743101507 0.79239280883267 10.811 > 43 45 B 0.12872063238559 0.11530847372912 0.18812906633200 10.811 > 45 46 B 0.12872063238559 0.11530847372912 0.68812906633200 10.811 > 45 47 B 0.40125110079795 0.80593285990576 0.45836053555373 10.811 > 47 48 B 0.40125110079795 0.80593285990576 0.95836053555373 10.811 > 47 49 B 0.61530847372912 0.62872063238559 0.06187093366800 10.811 > 49 50 B 0.61530847372912 0.62872063238559 0.56187093366800 10.811 > 49 51 B 0.90669811001589 0.76965565113409 0.04379942290635 10.811 > 51 52 B 0.90669811001589 0.76965565113409 0.54379942290635 10.811 > 51 53 B 0.23456743101507 0.74834512021287 0.20760719116733 10.811 > 53 54 B 0.23456743101507 0.74834512021287 0.70760719116733 10.811 > 53 55 B 0.57738573970309 0.74100862450419 0.20774938552015 10.811 > 55 56 B 0.57738573970309 0.74100862450419 0.70774938552015 10.811 > 55 57 B 0.76965565113409 0.09330188998411 0.45620057709365 10.811 > 57 58 B 0.76965565113409 0.09330188998411 0.95620057709365 10.811 > 57 59 B 0.42261426029691 0.25899137549581 0.20774938552015 10.811 > 59 60 B 0.42261426029691 0.25899137549581 0.70774938552015 10.811 > 59 61 B 0.26965565113409 0.40669811001589 0.20620057709365 10.811 > 61 62 B 0.26965565113409 0.40669811001589 0.70620057709365 10.811 > 61 63 B 0.26543256898493 0.24834512021287 0.45760719116733 10.811 > 63 64 B 0.26543256898493 0.24834512021287 0.95760719116733 10.811 > 63 65 B 0.87127936761441 0.88469152627088 0.18812906633200 10.811 > 65 66 B 0.87127936761441 0.88469152627088 0.68812906633200 10.811 > 65 67 B 0.17389459421634 0.57899570595803 0.45062998892791 10.811 > 67 68 B 0.17389459421634 0.57899570595803 0.95062998892791 10.811 > 67 69 B 0.82610540578366 0.42100429404197 0.45062998892791 10.811 > 69 70 B 0.82610540578366 0.42100429404197 0.95062998892791 10.811 > 69 71 B 0.90125110079795 0.69406714009424 0.20836053555373 10.811 > 71 72 B 0.90125110079795 0.69406714009424 0.70836053555373 10.811 > 71 73 B 0.25899137549581 0.57738573970309 0.29225061447985 10.811 > 73 74 B 0.25899137549581 0.57738573970309 0.79225061447985 10.811 > 73 75 B 0.11530847372912 0.87127936761441 0.31187093366800 10.811 > 75 76 B 0.11530847372912 0.87127936761441 0.81187093366800 10.811 > 75 77 B 0.09874889920205 0.30593285990576 0.20836053555373 10.811 > 77 78 B 0.09874889920205 0.30593285990576 0.70836053555373 10.811 > 77 79 B 0.73034434886591 0.59330188998411 0.20620057709365 10.811 > 79 80 B 0.73034434886591 0.59330188998411 0.70620057709365 10.811 > 79 81 B 0.32610540578366 0.07899570595803 0.20062998892791 10.811 > 81 82 B 0.32610540578366 0.07899570595803 0.70062998892791 10.811 > 81 83 B 0.38469152627088 0.37127936761441 0.06187093366800 10.811 > 83 84 B 0.38469152627088 0.37127936761441 0.56187093366800 10.811 > 83 85 B 0.67389459421634 0.92100429404197 0.20062998892791 10.811 > 85 86 B 0.67389459421634 0.92100429404197 0.70062998892791 10.811 > 85 87 B 0.59330188998411 0.26965565113409 0.29379942290635 10.811 > 87 88 B 0.59330188998411 0.26965565113409 0.79379942290635 10.811 > 87 89 B 0.69406714009424 0.09874889920205 0.29163946444627 10.811 > 89 90 B 0.69406714009424 0.09874889920205 0.79163946444627 10.811 > 89 91 B 0.59874889920205 0.19406714009424 0.45836053555373 10.811 > 91 92 B 0.59874889920205 0.19406714009424 0.95836053555373 10.811 > 91 93 B 0.74834512021287 0.76543256898493 0.29239280883267 10.811 > 93 94 B 0.74834512021287 0.76543256898493 0.79239280883267 10.811 > 93 95 B 0.09330188998411 0.23034434886591 0.04379942290635 10.811 > 95 96 B 0.09330188998411 0.23034434886591 0.54379942290635 10.811 > 95 97 B 0.42100429404197 0.17389459421634 0.04937001107209 10.811 > 97 98 B 0.42100429404197 0.17389459421634 0.54937001107209 10.811 > 97 99 B 0.88469152627088 0.12872063238559 0.31187093366800 10.811 > 99 100 B 0.88469152627088 0.12872063238559 0.81187093366800 10.811 > 99 101 B 0.57899570595803 0.82610540578366 0.04937001107209 10.811 > 101 102 B 0.57899570595803 0.82610540578366 0.54937001107209 10.811 > 101 103 B 0.07899570595803 0.67389459421634 0.29937001107209 10.811 > 103 104 B 0.07899570595803 0.67389459421634 0.79937001107209 10.811 > 103 105 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 105 106 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 105 107 C 0.50000000000000 0.50000000000000 0.00000000000000 12.011 > 107 108 C 0.50000000000000 0.50000000000000 0.50000000000000 12.011 > 107 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.3550101 0.0000000 0.0000000 0.0000000 8.3550101 0.0000000 0.0000000 0.0000000 8.0301468 -------------------------- Born effective charges -------------------------- 1 Mg 2.3947898 -0.0167356 -0.0000000 0.0167356 2.3947898 -0.0000000 0.0000000 -0.0000000 2.2480815 2 Mg 2.3947898 0.0167356 -0.0000000 -0.0167356 2.3947898 -0.0000000 0.0000000 -0.0000000 2.2480815 3 Mg 2.5652108 0.0674660 -0.0000000 0.0674660 2.5652108 -0.0000000 0.0000000 -0.0000000 2.0365945 4 Mg 2.5652108 -0.0674660 -0.0000000 -0.0674660 2.5652108 -0.0000000 0.0000000 -0.0000000 2.0365945 5 B -0.3411227 0.0665487 0.1575346 -0.0823254 0.2003335 0.1879636 0.0180439 0.2910284 -0.0709577 6 B 0.1314748 0.0738166 -0.1476758 0.0272887 -0.4140873 0.1217155 -0.2188999 0.0359374 -0.1053992 7 B 0.5087771 -0.5945795 0.3695788 -0.5422318 0.4894798 -0.3148775 0.3096209 -0.3807089 -0.0564371 8 B -0.3439303 -0.0346017 -0.0531351 -0.0605236 -0.4230833 -0.0357247 0.0415202 -0.1145084 0.0880714 9 B -0.3439303 0.0346017 0.0531351 0.0605236 -0.4230833 -0.0357247 -0.0415202 -0.1145084 0.0880714 10 B -0.3411227 0.0665487 -0.1575346 -0.0823254 0.2003335 -0.1879636 -0.0180439 -0.2910284 -0.0709577 11 B -0.4230833 0.0605236 0.0357247 0.0346017 -0.3439303 -0.0531351 0.1145084 0.0415202 0.0880714 12 B -0.2073825 0.0589517 -0.1560892 0.0387065 -0.7294977 0.0309320 -0.1526723 -0.0112614 -0.3244346 13 B -0.4140873 -0.0272887 -0.1217155 -0.0738166 0.1314748 -0.1476758 -0.0359374 -0.2188999 -0.1053992 14 B 0.1387709 0.1280923 -0.0703332 0.0070863 -0.4398172 0.1582169 -0.2805766 0.1218192 -0.2724220 15 B 0.1314748 0.0738166 0.1476758 0.0272887 -0.4140873 -0.1217155 0.2188999 -0.0359374 -0.1053992 16 B -0.7294977 0.0387065 -0.0309320 0.0589517 -0.2073825 0.1560892 0.0112614 0.1526723 -0.3244346 17 B -0.4230833 0.0605236 -0.0357247 0.0346017 -0.3439303 0.0531351 -0.1145084 -0.0415202 0.0880714 18 B 0.5087771 -0.5945795 -0.3695788 -0.5422318 0.4894798 0.3148775 -0.3096209 0.3807089 -0.0564371 19 B -0.4140873 -0.0272887 0.1217155 -0.0738166 0.1314748 0.1476758 0.0359374 0.2188999 -0.1053992 20 B -0.4140873 0.0272887 0.1217155 0.0738166 0.1314748 -0.1476758 0.0359374 -0.2188999 -0.1053992 21 B -0.3411227 -0.0665487 0.1575346 0.0823254 0.2003335 -0.1879636 0.0180439 -0.2910284 -0.0709577 22 B -0.4230833 -0.0605236 0.0357247 -0.0346017 -0.3439303 0.0531351 0.1145084 -0.0415202 0.0880714 23 B 0.5087771 0.5945795 -0.3695788 0.5422318 0.4894798 -0.3148775 -0.3096209 -0.3807089 -0.0564371 24 B 0.2003335 0.0823254 0.1879636 -0.0665487 -0.3411227 -0.1575346 0.2910284 -0.0180439 -0.0709577 25 B 0.4894798 0.5422318 0.3148775 0.5945795 0.5087771 0.3695788 0.3807089 0.3096209 -0.0564371 26 B -0.2073825 -0.0589517 -0.1560892 -0.0387065 -0.7294977 -0.0309320 -0.1526723 0.0112614 -0.3244346 27 B -0.3439303 0.0346017 -0.0531351 0.0605236 -0.4230833 0.0357247 0.0415202 0.1145084 0.0880714 28 B 0.1314748 -0.0738166 -0.1476758 -0.0272887 -0.4140873 -0.1217155 -0.2188999 -0.0359374 -0.1053992 29 B -0.7294977 0.0387065 0.0309320 0.0589517 -0.2073825 -0.1560892 -0.0112614 -0.1526723 -0.3244346 30 B 0.1314748 -0.0738166 0.1476758 -0.0272887 -0.4140873 0.1217155 0.2188999 0.0359374 -0.1053992 31 B -0.7294977 -0.0387065 0.0309320 -0.0589517 -0.2073825 0.1560892 -0.0112614 0.1526723 -0.3244346 32 B -0.3439303 -0.0346017 0.0531351 -0.0605236 -0.4230833 0.0357247 -0.0415202 0.1145084 0.0880714 33 B 0.5087771 0.5945795 0.3695788 0.5422318 0.4894798 0.3148775 0.3096209 0.3807089 -0.0564371 34 B -0.4398172 0.0070863 0.1582169 0.1280923 0.1387709 -0.0703332 0.1218192 -0.2805766 -0.2724220 35 B -0.4398172 0.0070863 -0.1582169 0.1280923 0.1387709 0.0703332 -0.1218192 0.2805766 -0.2724220 36 B 0.2003335 -0.0823254 0.1879636 0.0665487 -0.3411227 0.1575346 0.2910284 0.0180439 -0.0709577 37 B -0.4140873 0.0272887 -0.1217155 0.0738166 0.1314748 0.1476758 -0.0359374 0.2188999 -0.1053992 38 B 0.4894798 -0.5422318 0.3148775 -0.5945795 0.5087771 -0.3695788 0.3807089 -0.3096209 -0.0564371 39 B 0.2003335 -0.0823254 -0.1879636 0.0665487 -0.3411227 -0.1575346 -0.2910284 -0.0180439 -0.0709577 40 B -0.7294977 -0.0387065 -0.0309320 -0.0589517 -0.2073825 -0.1560892 0.0112614 -0.1526723 -0.3244346 41 B -0.4398172 -0.0070863 -0.1582169 -0.1280923 0.1387709 -0.0703332 -0.1218192 -0.2805766 -0.2724220 42 B 0.4894798 0.5422318 -0.3148775 0.5945795 0.5087771 -0.3695788 -0.3807089 -0.3096209 -0.0564371 43 B -0.4398172 -0.0070863 0.1582169 -0.1280923 0.1387709 0.0703332 0.1218192 0.2805766 -0.2724220 44 B -0.2073825 0.0589517 0.1560892 0.0387065 -0.7294977 -0.0309320 0.1526723 0.0112614 -0.3244346 45 B -0.3411227 -0.0665487 -0.1575346 0.0823254 0.2003335 0.1879636 -0.0180439 0.2910284 -0.0709577 46 B 0.2003335 0.0823254 -0.1879636 -0.0665487 -0.3411227 0.1575346 -0.2910284 0.0180439 -0.0709577 47 B -0.4230833 -0.0605236 -0.0357247 -0.0346017 -0.3439303 -0.0531351 -0.1145084 0.0415202 0.0880714 48 B -0.2073825 -0.0589517 0.1560892 -0.0387065 -0.7294977 0.0309320 0.1526723 -0.0112614 -0.3244346 49 B 0.1387709 -0.1280923 -0.0703332 -0.0070863 -0.4398172 -0.1582169 -0.2805766 -0.1218192 -0.2724220 50 B 0.4894798 -0.5422318 -0.3148775 -0.5945795 0.5087771 0.3695788 -0.3807089 0.3096209 -0.0564371 51 B 0.1387709 -0.1280923 0.0703332 -0.0070863 -0.4398172 0.1582169 0.2805766 0.1218192 -0.2724220 52 B 0.1387709 0.1280923 0.0703332 0.0070863 -0.4398172 -0.1582169 0.2805766 -0.1218192 -0.2724220 53 C -2.0998310 0.0191387 -0.0000000 -0.0191387 -2.0998310 -0.0000000 0.0000000 -0.0000000 -1.3183593 54 C -2.0998310 -0.0191387 -0.0000000 0.0191387 -2.0998310 -0.0000000 0.0000000 -0.0000000 -1.3183593 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000017 (zzz) 0.00000017 (zzz) 0.00000017 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 10 ] 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: 0.56, Number of G-points: 293, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 9.588 ( 0.000 -0.000 0.000) 0.000 9.588 ( -0.000 0.000 0.000) 0.000 10.053 ( 0.000 0.000 0.000) 0.000 10.053 ( 0.000 -0.000 0.000) 0.000 10.888 ( 0.000 0.000 0.000) 0.000 11.761 ( 0.000 -0.000 0.000) 0.000 11.761 ( 0.000 0.000 0.000) 0.000 11.851 ( 0.000 0.000 0.000) 0.000 11.886 ( 0.000 -0.000 0.000) 0.000 11.886 ( 0.000 0.000 0.000) 0.000 12.347 ( 0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 12.581 ( 0.000 0.000 0.000) 0.000 13.282 ( 0.000 0.000 0.000) 0.000 13.493 ( 0.000 0.000 0.000) 0.000 13.531 ( 0.000 0.000 0.000) 0.000 13.531 ( 0.000 0.000 0.000) 0.000 13.893 ( 0.000 0.000 0.000) 0.000 14.134 ( 0.000 -0.000 0.000) 0.000 14.134 ( 0.000 -0.000 0.000) 0.000 14.708 ( 0.000 0.000 0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 15.317 ( 0.000 0.000 0.000) 0.000 15.540 ( 0.000 0.000 0.000) 0.000 15.565 ( 0.000 0.000 0.000) 0.000 15.877 ( 0.000 0.000 0.000) 0.000 16.064 ( -0.000 0.000 0.000) 0.000 16.064 ( -0.000 0.000 0.000) 0.000 16.189 ( 0.000 0.000 0.000) 0.000 16.302 ( 0.000 0.000 0.000) 0.000 16.320 ( 0.000 0.000 0.000) 0.000 16.320 ( 0.000 0.000 0.000) 0.000 16.474 ( 0.000 0.000 0.000) 0.000 16.581 ( 0.000 0.000 0.000) 0.000 16.688 ( 0.000 0.000 0.000) 0.000 16.688 ( 0.000 -0.000 0.000) 0.000 16.793 ( 0.000 0.000 0.000) 0.000 17.251 ( 0.000 0.000 0.000) 0.000 17.308 ( 0.000 0.000 0.000) 0.000 17.308 ( 0.000 -0.000 0.000) 0.000 17.623 ( 0.000 0.000 0.000) 0.000 17.623 ( 0.000 0.000 0.000) 0.000 17.811 ( 0.000 0.000 0.000) 0.000 17.812 ( 0.000 0.000 0.000) 0.000 17.868 ( 0.000 0.000 0.000) 0.000 17.868 ( 0.000 0.000 0.000) 0.000 17.903 ( 0.000 0.000 0.000) 0.000 18.142 ( 0.000 -0.000 0.000) 0.000 18.142 ( 0.000 -0.000 0.000) 0.000 18.270 ( 0.000 0.000 0.000) 0.000 18.687 ( 0.000 0.000 0.000) 0.000 18.895 ( 0.000 0.000 0.000) 0.000 18.895 ( 0.000 -0.000 0.000) 0.000 18.941 ( 0.000 0.000 0.000) 0.000 19.483 ( 0.000 0.000 0.000) 0.000 19.640 ( 0.000 0.000 0.000) 0.000 19.640 ( 0.000 0.000 0.000) 0.000 19.952 ( 0.000 0.000 0.000) 0.000 20.040 ( 0.000 0.000 0.000) 0.000 20.071 ( 0.000 0.000 0.000) 0.000 20.071 ( 0.000 -0.000 0.000) 0.000 20.360 ( 0.000 0.000 0.000) 0.000 20.546 ( 0.000 0.000 0.000) 0.000 20.597 ( 0.000 0.000 0.000) 0.000 20.597 ( 0.000 0.000 0.000) 0.000 20.655 ( 0.000 0.000 0.000) 0.000 20.887 ( 0.000 0.000 0.000) 0.000 21.087 ( 0.000 0.000 0.000) 0.000 21.087 ( 0.000 -0.000 0.000) 0.000 21.684 ( 0.000 0.000 0.000) 0.000 21.735 ( 0.000 0.000 0.000) 0.000 21.735 ( 0.000 0.000 0.000) 0.000 21.839 ( 0.000 0.000 0.000) 0.000 21.868 ( 0.000 0.000 0.000) 0.000 21.927 ( 0.000 0.000 0.000) 0.000 22.305 ( -0.000 0.000 0.000) 0.000 22.305 ( -0.000 0.000 0.000) 0.000 22.651 ( 0.000 -0.000 0.000) 0.000 22.651 ( 0.000 -0.000 0.000) 0.000 22.680 ( 0.000 0.000 0.000) 0.000 22.850 ( 0.000 0.000 0.000) 0.000 22.861 ( 0.000 -0.000 0.000) 0.000 22.861 ( 0.000 0.000 0.000) 0.000 23.115 ( 0.000 0.000 0.000) 0.000 23.224 ( 0.000 0.000 0.000) 0.000 23.369 ( -0.000 0.000 0.000) 0.000 23.369 ( 0.000 -0.000 0.000) 0.000 23.376 ( 0.000 0.000 0.000) 0.000 23.496 ( 0.000 0.000 0.000) 0.000 23.669 ( 0.000 0.000 0.000) 0.000 23.674 ( 0.000 0.000 0.000) 0.000 23.756 ( 0.000 0.000 0.000) 0.000 23.757 ( 0.000 0.000 0.000) 0.000 23.757 ( 0.000 0.000 0.000) 0.000 23.947 ( 0.000 0.000 0.000) 0.000 23.947 ( 0.000 -0.000 0.000) 0.000 24.061 ( 0.000 0.000 0.000) 0.000 24.543 ( 0.000 0.000 0.000) 0.000 24.560 ( 0.000 0.000 0.000) 0.000 24.687 ( 0.000 0.000 0.000) 0.000 24.687 ( 0.000 0.000 0.000) 0.000 24.710 ( 0.000 0.000 0.000) 0.000 25.110 ( 0.000 0.000 0.000) 0.000 25.110 ( 0.000 0.000 0.000) 0.000 25.136 ( 0.000 0.000 0.000) 0.000 25.292 ( 0.000 0.000 0.000) 0.000 25.462 ( 0.000 0.000 0.000) 0.000 26.103 ( 0.000 0.000 0.000) 0.000 26.133 ( 0.000 0.000 0.000) 0.000 26.227 ( 0.000 0.000 0.000) 0.000 26.291 ( 0.000 0.000 0.000) 0.000 26.291 ( 0.000 0.000 0.000) 0.000 26.483 ( 0.000 0.000 0.000) 0.000 26.483 ( 0.000 -0.000 0.000) 0.000 26.612 ( 0.000 0.000 0.000) 0.000 26.721 ( 0.000 0.000 0.000) 0.000 26.872 ( -0.000 0.000 0.000) 0.000 26.872 ( -0.000 0.000 0.000) 0.000 27.357 ( 0.000 0.000 0.000) 0.000 27.442 ( 0.000 0.000 0.000) 0.000 27.456 ( 0.000 0.000 0.000) 0.000 27.456 ( 0.000 0.000 0.000) 0.000 27.624 ( 0.000 0.000 0.000) 0.000 27.973 ( 0.000 0.000 0.000) 0.000 28.102 ( 0.000 0.000 0.000) 0.000 28.445 ( 0.000 0.000 0.000) 0.000 28.445 ( 0.000 0.000 0.000) 0.000 28.683 ( 0.000 0.000 0.000) 0.000 28.683 ( 0.000 0.000 0.000) 0.000 28.723 ( 0.000 0.000 0.000) 0.000 28.833 ( 0.000 0.000 0.000) 0.000 29.680 ( 0.000 -0.000 0.000) 0.000 29.680 ( 0.000 0.000 0.000) 0.000 29.734 ( 0.000 0.000 0.000) 0.000 30.097 ( 0.000 0.000 0.000) 0.000 30.143 ( 0.000 0.000 0.000) 0.000 30.409 ( 0.000 0.000 0.000) 0.000 30.409 ( -0.000 0.000 0.000) 0.000 30.510 ( 0.000 0.000 0.000) 0.000 30.510 ( -0.000 0.000 0.000) 0.000 30.565 ( 0.000 0.000 0.000) 0.000 30.768 ( 0.000 0.000 0.000) 0.000 30.768 ( 0.000 -0.000 0.000) 0.000 30.864 ( 0.000 0.000 0.000) 0.000 31.049 ( 0.000 0.000 0.000) 0.000 33.280 ( 0.000 0.000 0.000) 0.000 33.419 ( 0.000 0.000 0.000) 0.000 33.419 ( 0.000 0.000 0.000) 0.000 33.529 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 82.390 0.000 0.000) 82.390 1.586 ( 82.722 0.000 0.000) 82.722 2.511 ( 130.410 0.000 0.000) 130.410 4.230 ( -0.065 0.000 0.000) 0.065 4.536 ( -1.563 0.000 0.000) 1.563 4.999 ( 4.838 0.000 0.000) 4.838 5.653 ( 3.385 0.000 0.000) 3.385 6.167 ( -10.411 0.000 0.000) 10.411 6.338 ( 5.944 0.000 0.000) 5.944 7.615 ( -14.146 0.000 0.000) 14.146 7.646 ( -29.570 0.000 0.000) 29.570 8.132 ( 14.798 0.000 0.000) 14.798 9.243 ( -10.441 0.000 0.000) 10.441 9.444 ( -13.255 0.000 0.000) 13.255 9.703 ( 10.322 0.000 0.000) 10.322 9.985 ( -8.842 0.000 0.000) 8.842 10.368 ( 21.366 0.000 0.000) 21.366 11.039 ( 7.784 0.000 0.000) 7.784 11.360 ( -27.890 0.000 0.000) 27.890 11.609 ( -13.462 0.000 0.000) 13.462 11.795 ( -0.210 0.000 0.000) 0.210 11.966 ( -7.768 0.000 0.000) 7.768 11.980 ( -28.733 0.000 0.000) 28.733 12.417 ( 6.927 0.000 0.000) 6.927 12.496 ( 9.852 0.000 0.000) 9.852 12.838 ( 14.538 0.000 0.000) 14.538 13.047 ( -0.821 0.000 0.000) 0.821 13.508 ( -14.877 0.000 0.000) 14.877 13.526 ( 3.339 0.000 0.000) 3.339 13.649 ( 10.622 0.000 0.000) 10.622 13.877 ( -7.566 0.000 0.000) 7.566 14.062 ( 6.131 0.000 0.000) 6.131 14.196 ( 6.147 0.000 0.000) 6.147 14.683 ( -2.761 0.000 0.000) 2.761 15.220 ( -14.442 0.000 0.000) 14.442 15.295 ( -3.788 0.000 0.000) 3.788 15.489 ( -5.934 0.000 0.000) 5.934 15.618 ( 6.141 0.000 0.000) 6.141 15.779 ( -11.435 0.000 0.000) 11.435 16.013 ( -0.318 0.000 0.000) 0.318 16.057 ( -9.889 0.000 0.000) 9.889 16.097 ( -8.156 0.000 0.000) 8.156 16.130 ( 1.541 0.000 0.000) 1.541 16.349 ( -2.755 0.000 0.000) 2.755 16.458 ( 8.691 0.000 0.000) 8.691 16.594 ( -1.610 0.000 0.000) 1.610 16.663 ( -0.333 0.000 0.000) 0.333 16.665 ( 15.769 0.000 0.000) 15.769 16.728 ( 3.681 0.000 0.000) 3.681 16.910 ( 11.974 0.000 0.000) 11.974 17.218 ( -1.760 0.000 0.000) 1.760 17.340 ( 1.728 0.000 0.000) 1.728 17.357 ( 2.435 0.000 0.000) 2.435 17.514 ( -4.591 0.000 0.000) 4.591 17.602 ( -3.431 0.000 0.000) 3.431 17.761 ( -7.965 0.000 0.000) 7.965 17.882 ( -1.067 0.000 0.000) 1.067 17.915 ( 11.056 0.000 0.000) 11.056 17.955 ( 7.290 0.000 0.000) 7.290 18.021 ( 6.421 0.000 0.000) 6.421 18.122 ( -1.671 0.000 0.000) 1.671 18.192 ( 5.592 0.000 0.000) 5.592 18.278 ( 2.665 0.000 0.000) 2.665 18.630 ( -7.789 0.000 0.000) 7.789 18.819 ( 10.122 0.000 0.000) 10.122 18.983 ( 6.712 0.000 0.000) 6.712 19.145 ( -7.986 0.000 0.000) 7.986 19.304 ( 5.330 0.000 0.000) 5.330 19.311 ( -29.721 0.000 0.000) 29.721 19.521 ( -29.222 0.000 0.000) 29.222 19.882 ( -19.724 0.000 0.000) 19.724 19.893 ( 14.293 0.000 0.000) 14.293 20.113 ( -2.357 0.000 0.000) 2.357 20.131 ( 9.023 0.000 0.000) 9.023 20.228 ( -16.689 0.000 0.000) 16.689 20.444 ( -5.367 0.000 0.000) 5.367 20.576 ( 1.049 0.000 0.000) 1.049 20.713 ( 19.921 0.000 0.000) 19.921 20.903 ( 14.582 0.000 0.000) 14.582 20.938 ( 5.537 0.000 0.000) 5.537 21.081 ( -0.475 0.000 0.000) 0.475 21.354 ( 3.515 0.000 0.000) 3.515 21.715 ( 14.583 0.000 0.000) 14.583 21.721 ( -0.141 0.000 0.000) 0.141 21.819 ( 8.569 0.000 0.000) 8.569 21.897 ( 4.615 0.000 0.000) 4.615 21.920 ( 5.833 0.000 0.000) 5.833 22.061 ( 10.144 0.000 0.000) 10.144 22.295 ( -0.122 0.000 0.000) 0.122 22.338 ( 2.833 0.000 0.000) 2.833 22.567 ( -7.614 0.000 0.000) 7.614 22.622 ( -2.545 0.000 0.000) 2.545 22.745 ( -3.897 0.000 0.000) 3.897 22.804 ( 7.134 0.000 0.000) 7.134 22.829 ( -2.508 0.000 0.000) 2.508 23.022 ( 7.649 0.000 0.000) 7.649 23.156 ( 2.770 0.000 0.000) 2.770 23.226 ( 0.216 0.000 0.000) 0.216 23.326 ( -3.398 0.000 0.000) 3.398 23.330 ( -1.735 0.000 0.000) 1.735 23.417 ( 1.907 0.000 0.000) 1.907 23.503 ( -1.816 0.000 0.000) 1.816 23.589 ( -4.935 0.000 0.000) 4.935 23.660 ( -1.328 0.000 0.000) 1.328 23.683 ( -5.344 0.000 0.000) 5.344 23.739 ( -3.770 0.000 0.000) 3.770 23.770 ( 0.048 0.000 0.000) 0.048 23.884 ( -4.606 0.000 0.000) 4.606 23.973 ( 1.905 0.000 0.000) 1.905 24.129 ( 5.059 0.000 0.000) 5.059 24.495 ( -4.234 0.000 0.000) 4.234 24.520 ( -1.821 0.000 0.000) 1.821 24.612 ( -6.831 0.000 0.000) 6.831 24.697 ( -2.169 0.000 0.000) 2.169 24.773 ( 5.414 0.000 0.000) 5.414 25.019 ( -6.609 0.000 0.000) 6.609 25.144 ( 3.399 0.000 0.000) 3.399 25.188 ( 3.495 0.000 0.000) 3.495 25.304 ( 1.520 0.000 0.000) 1.520 25.541 ( 7.245 0.000 0.000) 7.245 26.072 ( -11.485 0.000 0.000) 11.485 26.111 ( 0.277 0.000 0.000) 0.277 26.145 ( 1.130 0.000 0.000) 1.130 26.299 ( -2.925 0.000 0.000) 2.925 26.333 ( 3.496 0.000 0.000) 3.496 26.523 ( 2.787 0.000 0.000) 2.787 26.542 ( 5.945 0.000 0.000) 5.945 26.596 ( -0.710 0.000 0.000) 0.710 26.704 ( -2.412 0.000 0.000) 2.412 26.876 ( 0.098 0.000 0.000) 0.098 26.959 ( 6.565 0.000 0.000) 6.565 27.326 ( -6.102 0.000 0.000) 6.102 27.344 ( -1.651 0.000 0.000) 1.651 27.443 ( -1.400 0.000 0.000) 1.400 27.531 ( 1.846 0.000 0.000) 1.846 27.621 ( -0.104 0.000 0.000) 0.104 27.967 ( -0.918 0.000 0.000) 0.918 28.023 ( -7.591 0.000 0.000) 7.591 28.435 ( -3.301 0.000 0.000) 3.301 28.471 ( -8.911 0.000 0.000) 8.911 28.493 ( 3.174 0.000 0.000) 3.174 28.753 ( -3.174 0.000 0.000) 3.174 28.951 ( 7.465 0.000 0.000) 7.465 28.961 ( 13.085 0.000 0.000) 13.085 29.577 ( -6.541 0.000 0.000) 6.541 29.654 ( -2.819 0.000 0.000) 2.819 29.839 ( 6.711 0.000 0.000) 6.711 30.107 ( 0.710 0.000 0.000) 0.710 30.155 ( 1.534 0.000 0.000) 1.534 30.391 ( -1.809 0.000 0.000) 1.809 30.439 ( -0.561 0.000 0.000) 0.561 30.506 ( -0.568 0.000 0.000) 0.568 30.520 ( 0.763 0.000 0.000) 0.763 30.563 ( -0.189 0.000 0.000) 0.189 30.761 ( -0.613 0.000 0.000) 0.613 30.820 ( -2.264 0.000 0.000) 2.264 30.907 ( 2.217 0.000 0.000) 2.217 31.040 ( -0.879 0.000 0.000) 0.879 33.288 ( 0.865 0.000 0.000) 0.865 33.408 ( -1.087 0.000 0.000) 1.087 33.427 ( 0.888 0.000 0.000) 0.888 33.523 ( -0.660 0.000 0.000) 0.660 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 69.773 0.000 0.000) 69.773 3.022 ( 68.218 0.000 0.000) 68.218 4.206 ( -3.627 0.000 0.000) 3.627 4.434 ( 4.101 0.000 0.000) 4.101 4.651 ( 58.325 0.000 0.000) 58.325 5.238 ( 39.664 0.000 0.000) 39.664 5.697 ( -8.189 0.000 0.000) 8.189 5.902 ( -8.945 0.000 0.000) 8.945 6.480 ( 4.585 0.000 0.000) 4.585 6.984 ( -36.756 0.000 0.000) 36.756 7.229 ( -12.189 0.000 0.000) 12.189 8.473 ( 20.441 0.000 0.000) 20.441 9.145 ( -19.612 0.000 0.000) 19.612 9.370 ( 21.150 0.000 0.000) 21.150 9.492 ( -52.350 0.000 0.000) 52.350 10.033 ( 25.596 0.000 0.000) 25.596 10.614 ( -40.088 0.000 0.000) 40.088 10.729 ( 18.114 0.000 0.000) 18.114 10.976 ( -26.838 0.000 0.000) 26.838 11.396 ( -6.619 0.000 0.000) 6.619 11.492 ( -5.709 0.000 0.000) 5.709 11.669 ( -9.909 0.000 0.000) 9.909 11.963 ( 4.115 0.000 0.000) 4.115 12.459 ( -21.570 0.000 0.000) 21.570 12.667 ( 9.109 0.000 0.000) 9.109 12.908 ( 7.969 0.000 0.000) 7.969 13.198 ( -3.912 0.000 0.000) 3.912 13.403 ( 25.012 0.000 0.000) 25.012 13.561 ( -1.398 0.000 0.000) 1.398 13.891 ( 9.777 0.000 0.000) 9.777 13.897 ( 13.297 0.000 0.000) 13.297 14.252 ( 10.637 0.000 0.000) 10.637 14.286 ( -3.124 0.000 0.000) 3.124 14.604 ( -2.748 0.000 0.000) 2.748 14.838 ( -20.440 0.000 0.000) 20.440 15.104 ( -15.634 0.000 0.000) 15.634 15.362 ( -6.990 0.000 0.000) 6.990 15.492 ( -17.891 0.000 0.000) 17.891 15.779 ( 10.507 0.000 0.000) 10.507 15.929 ( -3.130 0.000 0.000) 3.130 15.959 ( -4.736 0.000 0.000) 4.736 16.077 ( 2.092 0.000 0.000) 2.092 16.158 ( 2.585 0.000 0.000) 2.585 16.307 ( 3.558 0.000 0.000) 3.558 16.471 ( -10.187 0.000 0.000) 10.187 16.602 ( 2.187 0.000 0.000) 2.187 16.718 ( 3.924 0.000 0.000) 3.924 16.816 ( 4.115 0.000 0.000) 4.115 17.031 ( 23.208 0.000 0.000) 23.208 17.107 ( 5.623 0.000 0.000) 5.623 17.209 ( 0.987 0.000 0.000) 0.987 17.371 ( -1.048 0.000 0.000) 1.048 17.428 ( 3.499 0.000 0.000) 3.499 17.482 ( -0.919 0.000 0.000) 0.919 17.493 ( 2.642 0.000 0.000) 2.642 17.654 ( -3.085 0.000 0.000) 3.085 17.814 ( -4.621 0.000 0.000) 4.621 18.013 ( -0.628 0.000 0.000) 0.628 18.066 ( -5.284 0.000 0.000) 5.284 18.077 ( 4.346 0.000 0.000) 4.346 18.141 ( 1.419 0.000 0.000) 1.419 18.323 ( 13.522 0.000 0.000) 13.522 18.403 ( 8.609 0.000 0.000) 8.609 18.558 ( -0.799 0.000 0.000) 0.799 18.679 ( -33.742 0.000 0.000) 33.742 18.924 ( -5.089 0.000 0.000) 5.089 18.961 ( -18.664 0.000 0.000) 18.664 19.096 ( 13.298 0.000 0.000) 13.298 19.169 ( -0.721 0.000 0.000) 0.721 19.406 ( 1.161 0.000 0.000) 1.161 19.479 ( -20.959 0.000 0.000) 20.959 19.721 ( -20.977 0.000 0.000) 20.977 20.135 ( 11.934 0.000 0.000) 11.934 20.252 ( 2.219 0.000 0.000) 2.219 20.373 ( 9.025 0.000 0.000) 9.025 20.461 ( 11.528 0.000 0.000) 11.528 20.605 ( 0.966 0.000 0.000) 0.966 20.924 ( -5.485 0.000 0.000) 5.485 20.966 ( 3.935 0.000 0.000) 3.935 21.070 ( -0.105 0.000 0.000) 0.105 21.150 ( 11.505 0.000 0.000) 11.505 21.340 ( 2.220 0.000 0.000) 2.220 21.752 ( 3.604 0.000 0.000) 3.604 21.908 ( 4.312 0.000 0.000) 4.312 21.965 ( 2.609 0.000 0.000) 2.609 22.052 ( 3.532 0.000 0.000) 3.532 22.103 ( 12.892 0.000 0.000) 12.892 22.237 ( 7.157 0.000 0.000) 7.157 22.339 ( 0.599 0.000 0.000) 0.599 22.362 ( -1.352 0.000 0.000) 1.352 22.497 ( 11.032 0.000 0.000) 11.032 22.594 ( 0.273 0.000 0.000) 0.273 22.685 ( -2.124 0.000 0.000) 2.124 22.783 ( -2.383 0.000 0.000) 2.383 22.863 ( -2.526 0.000 0.000) 2.526 23.139 ( 5.389 0.000 0.000) 5.389 23.155 ( -4.222 0.000 0.000) 4.222 23.240 ( 1.229 0.000 0.000) 1.229 23.301 ( -2.480 0.000 0.000) 2.480 23.343 ( 5.113 0.000 0.000) 5.113 23.393 ( -6.981 0.000 0.000) 6.981 23.428 ( -0.875 0.000 0.000) 0.875 23.565 ( 0.443 0.000 0.000) 0.443 23.590 ( -2.993 0.000 0.000) 2.993 23.620 ( -2.863 0.000 0.000) 2.863 23.644 ( -5.110 0.000 0.000) 5.110 23.761 ( -0.937 0.000 0.000) 0.937 23.805 ( -3.691 0.000 0.000) 3.691 24.021 ( 4.415 0.000 0.000) 4.415 24.208 ( 2.299 0.000 0.000) 2.299 24.429 ( -2.701 0.000 0.000) 2.701 24.462 ( -7.933 0.000 0.000) 7.933 24.508 ( 0.856 0.000 0.000) 0.856 24.634 ( -4.309 0.000 0.000) 4.309 24.831 ( 0.815 0.000 0.000) 0.815 24.902 ( -5.174 0.000 0.000) 5.174 25.237 ( 4.977 0.000 0.000) 4.977 25.253 ( 2.942 0.000 0.000) 2.942 25.370 ( 6.827 0.000 0.000) 6.827 25.704 ( 9.864 0.000 0.000) 9.864 25.831 ( -13.838 0.000 0.000) 13.838 26.068 ( -5.794 0.000 0.000) 5.794 26.173 ( 1.695 0.000 0.000) 1.695 26.237 ( -2.704 0.000 0.000) 2.704 26.411 ( 4.770 0.000 0.000) 4.770 26.583 ( 2.772 0.000 0.000) 2.772 26.621 ( -3.669 0.000 0.000) 3.669 26.642 ( 2.687 0.000 0.000) 2.687 26.642 ( 4.848 0.000 0.000) 4.848 26.859 ( -2.243 0.000 0.000) 2.243 27.086 ( 5.648 0.000 0.000) 5.648 27.279 ( 2.566 0.000 0.000) 2.566 27.280 ( -5.258 0.000 0.000) 5.258 27.417 ( -0.865 0.000 0.000) 0.865 27.528 ( -1.600 0.000 0.000) 1.600 27.606 ( -3.076 0.000 0.000) 3.076 27.877 ( -5.442 0.000 0.000) 5.442 27.931 ( -2.951 0.000 0.000) 2.951 28.351 ( -3.263 0.000 0.000) 3.263 28.372 ( -2.986 0.000 0.000) 2.986 28.573 ( 4.212 0.000 0.000) 4.212 28.699 ( -2.775 0.000 0.000) 2.775 29.095 ( 7.635 0.000 0.000) 7.635 29.173 ( 8.701 0.000 0.000) 8.701 29.465 ( -4.641 0.000 0.000) 4.641 29.577 ( -5.381 0.000 0.000) 5.381 29.961 ( 6.124 0.000 0.000) 6.124 30.106 ( -1.062 0.000 0.000) 1.062 30.203 ( 3.478 0.000 0.000) 3.478 30.344 ( -3.222 0.000 0.000) 3.222 30.432 ( 0.052 0.000 0.000) 0.052 30.484 ( -1.740 0.000 0.000) 1.740 30.537 ( 0.949 0.000 0.000) 0.949 30.559 ( -0.264 0.000 0.000) 0.264 30.752 ( -0.188 0.000 0.000) 0.188 30.782 ( -1.737 0.000 0.000) 1.737 30.947 ( 2.085 0.000 0.000) 2.085 31.017 ( -1.552 0.000 0.000) 1.552 33.311 ( 1.581 0.000 0.000) 1.581 33.381 ( -1.793 0.000 0.000) 1.793 33.450 ( 1.456 0.000 0.000) 1.456 33.505 ( -1.237 0.000 0.000) 1.237 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( -13.854 0.000 0.000) 13.854 3.923 ( 13.854 0.000 0.000) 13.854 4.112 ( -24.485 0.000 0.000) 24.485 4.112 ( 24.485 0.000 0.000) 24.485 5.196 ( -28.950 0.000 0.000) 28.950 5.196 ( 28.950 0.000 0.000) 28.950 6.028 ( -2.047 0.000 0.000) 2.047 6.028 ( 2.047 0.000 0.000) 2.047 6.409 ( -17.937 0.000 0.000) 17.937 6.409 ( 17.937 0.000 0.000) 17.937 8.009 ( -82.914 0.000 0.000) 82.914 8.009 ( 82.914 0.000 0.000) 82.914 8.851 ( -19.607 0.000 0.000) 19.607 8.851 ( 19.607 0.000 0.000) 19.607 9.899 ( -34.177 0.000 0.000) 34.177 9.899 ( 34.177 0.000 0.000) 34.177 10.551 ( -24.581 0.000 0.000) 24.581 10.551 ( 24.581 0.000 0.000) 24.581 11.111 ( -23.180 0.000 0.000) 23.180 11.111 ( 23.180 0.000 0.000) 23.180 11.508 ( -6.166 0.000 0.000) 6.166 11.508 ( 6.166 0.000 0.000) 6.166 12.082 ( -11.010 0.000 0.000) 11.010 12.082 ( 11.010 0.000 0.000) 11.010 12.848 ( -9.804 0.000 0.000) 9.804 12.848 ( 9.804 0.000 0.000) 9.804 13.413 ( -15.028 0.000 0.000) 15.028 13.413 ( 15.028 0.000 0.000) 15.028 13.887 ( -23.559 0.000 0.000) 23.559 13.887 ( 23.559 0.000 0.000) 23.559 14.073 ( -5.203 0.000 0.000) 5.203 14.073 ( 5.203 0.000 0.000) 5.203 14.479 ( -16.044 0.000 0.000) 16.044 14.479 ( 16.044 0.000 0.000) 16.044 14.787 ( -16.034 0.000 0.000) 16.034 14.787 ( 16.034 0.000 0.000) 16.034 15.290 ( -1.662 0.000 0.000) 1.662 15.290 ( 1.662 0.000 0.000) 1.662 15.904 ( -1.849 0.000 0.000) 1.849 15.904 ( 1.849 0.000 0.000) 1.849 15.992 ( -8.858 0.000 0.000) 8.858 15.992 ( 8.858 0.000 0.000) 8.858 16.266 ( -9.403 0.000 0.000) 9.403 16.266 ( 9.403 0.000 0.000) 9.403 16.505 ( -11.732 0.000 0.000) 11.732 16.505 ( 11.732 0.000 0.000) 11.732 16.789 ( -4.108 0.000 0.000) 4.108 16.789 ( 4.108 0.000 0.000) 4.108 17.207 ( -4.254 0.000 0.000) 4.254 17.207 ( 4.254 0.000 0.000) 4.254 17.324 ( -2.465 0.000 0.000) 2.465 17.324 ( 2.465 0.000 0.000) 2.465 17.442 ( -5.528 0.000 0.000) 5.528 17.442 ( 5.528 0.000 0.000) 5.528 17.676 ( -9.866 0.000 0.000) 9.866 17.676 ( 9.866 0.000 0.000) 9.866 17.820 ( -17.408 0.000 0.000) 17.408 17.820 ( 17.408 0.000 0.000) 17.408 18.073 ( -4.432 0.000 0.000) 4.432 18.073 ( 4.432 0.000 0.000) 4.432 18.194 ( -13.324 0.000 0.000) 13.324 18.194 ( 13.324 0.000 0.000) 13.324 18.522 ( -2.192 0.000 0.000) 2.192 18.522 ( 2.192 0.000 0.000) 2.192 18.635 ( -14.478 0.000 0.000) 14.478 18.635 ( 14.478 0.000 0.000) 14.478 19.018 ( -14.354 0.000 0.000) 14.354 19.018 ( 14.354 0.000 0.000) 14.354 19.267 ( -4.396 0.000 0.000) 4.396 19.267 ( 4.396 0.000 0.000) 4.396 19.449 ( -7.290 0.000 0.000) 7.290 19.449 ( 7.290 0.000 0.000) 7.290 20.256 ( -1.827 0.000 0.000) 1.827 20.256 ( 1.827 0.000 0.000) 1.827 20.549 ( -8.556 0.000 0.000) 8.556 20.549 ( 8.556 0.000 0.000) 8.556 20.703 ( -12.481 0.000 0.000) 12.481 20.703 ( 12.481 0.000 0.000) 12.481 21.045 ( -2.718 0.000 0.000) 2.718 21.045 ( 2.718 0.000 0.000) 2.718 21.336 ( -5.840 0.000 0.000) 5.840 21.336 ( 5.840 0.000 0.000) 5.840 21.868 ( -8.380 0.000 0.000) 8.380 21.868 ( 8.380 0.000 0.000) 8.380 21.999 ( -1.800 0.000 0.000) 1.800 21.999 ( 1.800 0.000 0.000) 1.800 22.277 ( -0.461 0.000 0.000) 0.461 22.277 ( 0.461 0.000 0.000) 0.461 22.350 ( -4.067 0.000 0.000) 4.067 22.350 ( 4.067 0.000 0.000) 4.067 22.604 ( -0.406 0.000 0.000) 0.406 22.604 ( 0.406 0.000 0.000) 0.406 22.758 ( -0.094 0.000 0.000) 0.094 22.758 ( 0.094 0.000 0.000) 0.094 22.938 ( -17.316 0.000 0.000) 17.316 22.938 ( 17.316 0.000 0.000) 17.316 23.228 ( -4.127 0.000 0.000) 4.127 23.228 ( 4.127 0.000 0.000) 4.127 23.285 ( -4.015 0.000 0.000) 4.015 23.285 ( 4.015 0.000 0.000) 4.015 23.421 ( -1.174 0.000 0.000) 1.174 23.421 ( 1.174 0.000 0.000) 1.174 23.573 ( -0.341 0.000 0.000) 0.341 23.573 ( 0.341 0.000 0.000) 0.341 23.587 ( -0.342 0.000 0.000) 0.342 23.587 ( 0.342 0.000 0.000) 0.342 23.755 ( -1.140 0.000 0.000) 1.140 23.755 ( 1.140 0.000 0.000) 1.140 24.150 ( -7.838 0.000 0.000) 7.838 24.150 ( 7.838 0.000 0.000) 7.838 24.394 ( -0.679 0.000 0.000) 0.679 24.394 ( 0.679 0.000 0.000) 0.679 24.553 ( -3.793 0.000 0.000) 3.793 24.553 ( 3.793 0.000 0.000) 3.793 24.841 ( -1.352 0.000 0.000) 1.352 24.841 ( 1.352 0.000 0.000) 1.352 25.281 ( -0.134 0.000 0.000) 0.134 25.281 ( 0.134 0.000 0.000) 0.134 25.570 ( -13.299 0.000 0.000) 13.299 25.570 ( 13.299 0.000 0.000) 13.299 25.904 ( -10.719 0.000 0.000) 10.719 25.904 ( 10.719 0.000 0.000) 10.719 26.202 ( -1.414 0.000 0.000) 1.414 26.202 ( 1.414 0.000 0.000) 1.414 26.513 ( -6.049 0.000 0.000) 6.049 26.513 ( 6.049 0.000 0.000) 6.049 26.637 ( -2.377 0.000 0.000) 2.377 26.637 ( 2.377 0.000 0.000) 2.377 26.779 ( -6.523 0.000 0.000) 6.523 26.779 ( 6.523 0.000 0.000) 6.523 27.174 ( -5.140 0.000 0.000) 5.140 27.174 ( 5.140 0.000 0.000) 5.140 27.387 ( -4.952 0.000 0.000) 4.952 27.387 ( 4.952 0.000 0.000) 4.952 27.514 ( -2.498 0.000 0.000) 2.498 27.514 ( 2.498 0.000 0.000) 2.498 27.869 ( -2.956 0.000 0.000) 2.956 27.869 ( 2.956 0.000 0.000) 2.956 28.333 ( -0.896 0.000 0.000) 0.896 28.333 ( 0.896 0.000 0.000) 0.896 28.644 ( -3.315 0.000 0.000) 3.315 28.644 ( 3.315 0.000 0.000) 3.315 29.217 ( -4.198 0.000 0.000) 4.198 29.217 ( 4.198 0.000 0.000) 4.198 29.468 ( -5.127 0.000 0.000) 5.127 29.468 ( 5.127 0.000 0.000) 5.127 30.058 ( -4.095 0.000 0.000) 4.095 30.058 ( 4.095 0.000 0.000) 4.095 30.275 ( -3.956 0.000 0.000) 3.956 30.275 ( 3.956 0.000 0.000) 3.956 30.449 ( -1.697 0.000 0.000) 1.697 30.449 ( 1.697 0.000 0.000) 1.697 30.552 ( -0.570 0.000 0.000) 0.570 30.552 ( 0.570 0.000 0.000) 0.570 30.758 ( -0.827 0.000 0.000) 0.827 30.758 ( 0.827 0.000 0.000) 0.827 30.984 ( -1.924 0.000 0.000) 1.924 30.984 ( 1.924 0.000 0.000) 1.924 33.345 ( -1.947 0.000 0.000) 1.947 33.345 ( 1.947 0.000 0.000) 1.947 33.479 ( -1.558 0.000 0.000) 1.558 33.479 ( 1.558 0.000 0.000) 1.558 ======================= Grid point 8 (5/60) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 55.021 55.021 0.000) 77.812 2.267 ( 56.939 56.939 0.000) 80.523 3.442 ( 83.918 83.918 0.000) 118.678 4.324 ( 5.764 5.764 0.000) 8.152 4.463 ( -4.025 -4.025 0.000) 5.693 5.050 ( 5.703 5.703 0.000) 8.066 5.726 ( 8.234 8.234 0.000) 11.645 6.081 ( -9.390 -9.390 0.000) 13.280 6.394 ( 5.969 5.969 0.000) 8.441 7.598 ( -8.045 -8.045 0.000) 11.377 7.724 ( -6.368 -6.368 0.000) 9.005 7.955 ( -2.895 -2.895 0.000) 4.094 8.800 ( -23.076 -23.076 0.000) 32.635 9.436 ( -9.571 -9.571 0.000) 13.536 9.702 ( 5.731 5.731 0.000) 8.105 10.244 ( 9.014 9.014 0.000) 12.748 10.412 ( 10.482 10.482 0.000) 14.823 11.005 ( -28.736 -28.736 0.000) 40.639 11.197 ( 6.918 6.918 0.000) 9.784 11.484 ( -9.382 -9.382 0.000) 13.268 11.820 ( -10.163 -10.163 0.000) 14.372 11.925 ( 5.993 5.993 0.000) 8.475 12.236 ( -11.389 -11.389 0.000) 16.106 12.274 ( 8.204 8.204 0.000) 11.603 12.485 ( -1.324 -1.324 0.000) 1.872 12.789 ( -8.536 -8.536 0.000) 12.072 13.051 ( 15.757 15.757 0.000) 22.284 13.445 ( -5.350 -5.350 0.000) 7.567 13.556 ( 3.052 3.052 0.000) 4.317 13.612 ( -4.319 -4.319 0.000) 6.108 13.945 ( 0.150 0.150 0.000) 0.212 14.050 ( 0.558 0.558 0.000) 0.789 14.114 ( 1.695 1.695 0.000) 2.398 14.677 ( -1.147 -1.147 0.000) 1.622 15.131 ( -8.793 -8.793 0.000) 12.435 15.238 ( -8.920 -8.920 0.000) 12.615 15.478 ( -7.136 -7.136 0.000) 10.091 15.567 ( -2.583 -2.583 0.000) 3.652 15.729 ( -8.150 -8.150 0.000) 11.526 15.891 ( -4.546 -4.546 0.000) 6.429 15.901 ( -6.510 -6.510 0.000) 9.207 16.116 ( -3.755 -3.755 0.000) 5.310 16.259 ( 5.228 5.228 0.000) 7.393 16.262 ( -0.071 -0.071 0.000) 0.101 16.527 ( -5.714 -5.714 0.000) 8.081 16.598 ( 2.446 2.446 0.000) 3.459 16.631 ( 3.615 3.615 0.000) 5.112 16.720 ( 6.311 6.311 0.000) 8.926 16.819 ( 7.866 7.866 0.000) 11.125 16.938 ( 4.693 4.693 0.000) 6.637 17.270 ( 4.979 4.979 0.000) 7.042 17.341 ( -4.093 -4.093 0.000) 5.789 17.404 ( 3.522 3.522 0.000) 4.981 17.420 ( -1.962 -1.962 0.000) 2.775 17.672 ( 1.518 1.518 0.000) 2.147 17.744 ( -1.764 -1.764 0.000) 2.495 17.947 ( 5.346 5.346 0.000) 7.560 17.963 ( -1.693 -1.693 0.000) 2.395 17.981 ( 5.402 5.402 0.000) 7.639 18.014 ( -2.790 -2.790 0.000) 3.945 18.058 ( 1.867 1.867 0.000) 2.641 18.257 ( 5.913 5.913 0.000) 8.362 18.349 ( 7.367 7.367 0.000) 10.419 18.661 ( -6.627 -6.627 0.000) 9.371 18.830 ( -15.780 -15.780 0.000) 22.317 18.833 ( 7.486 7.486 0.000) 10.586 19.030 ( 4.747 4.747 0.000) 6.713 19.325 ( -0.402 -0.402 0.000) 0.569 19.472 ( -6.748 -6.748 0.000) 9.544 19.587 ( -9.806 -9.806 0.000) 13.868 19.641 ( -2.454 -2.454 0.000) 3.470 19.788 ( -5.031 -5.031 0.000) 7.114 20.037 ( -14.357 -14.357 0.000) 20.304 20.052 ( -8.986 -8.986 0.000) 12.708 20.114 ( 5.929 5.929 0.000) 8.384 20.385 ( -2.849 -2.849 0.000) 4.030 20.673 ( 3.989 3.989 0.000) 5.641 20.742 ( 6.761 6.761 0.000) 9.561 20.959 ( 13.080 13.080 0.000) 18.497 21.125 ( 9.759 9.759 0.000) 13.802 21.171 ( -1.371 -1.371 0.000) 1.939 21.540 ( 10.713 10.713 0.000) 15.151 21.572 ( 0.875 0.875 0.000) 1.238 21.873 ( 5.304 5.304 0.000) 7.501 21.883 ( 9.356 9.356 0.000) 13.231 21.948 ( 5.091 5.091 0.000) 7.200 21.952 ( 4.637 4.637 0.000) 6.557 22.118 ( 5.549 5.549 0.000) 7.848 22.318 ( 1.476 1.476 0.000) 2.087 22.337 ( 1.859 1.859 0.000) 2.629 22.528 ( -5.557 -5.557 0.000) 7.858 22.563 ( -3.532 -3.532 0.000) 4.995 22.661 ( -6.056 -6.056 0.000) 8.565 22.874 ( 3.264 3.264 0.000) 4.616 22.903 ( 5.530 5.530 0.000) 7.821 23.033 ( 2.359 2.359 0.000) 3.336 23.180 ( 1.151 1.151 0.000) 1.628 23.214 ( -1.708 -1.708 0.000) 2.416 23.282 ( -0.369 -0.369 0.000) 0.521 23.371 ( 0.493 0.493 0.000) 0.697 23.416 ( 0.934 0.934 0.000) 1.320 23.482 ( -2.871 -2.871 0.000) 4.061 23.575 ( -4.717 -4.717 0.000) 6.671 23.576 ( -2.245 -2.245 0.000) 3.174 23.662 ( -3.299 -3.299 0.000) 4.666 23.714 ( -3.991 -3.991 0.000) 5.644 23.754 ( -0.254 -0.254 0.000) 0.359 23.905 ( -0.441 -0.441 0.000) 0.624 23.965 ( 1.457 1.457 0.000) 2.061 24.154 ( 2.001 2.001 0.000) 2.829 24.448 ( -3.815 -3.815 0.000) 5.395 24.499 ( -1.293 -1.293 0.000) 1.828 24.581 ( -4.098 -4.098 0.000) 5.795 24.682 ( -1.914 -1.914 0.000) 2.707 24.834 ( 5.402 5.402 0.000) 7.640 24.994 ( -3.232 -3.232 0.000) 4.571 25.130 ( 0.993 0.993 0.000) 1.405 25.222 ( 2.713 2.713 0.000) 3.837 25.299 ( -0.027 -0.027 0.000) 0.039 25.603 ( 5.925 5.925 0.000) 8.379 25.969 ( -8.938 -8.938 0.000) 12.640 26.130 ( 0.606 0.606 0.000) 0.857 26.133 ( -1.016 -1.016 0.000) 1.437 26.323 ( -1.356 -1.356 0.000) 1.918 26.367 ( 2.223 2.223 0.000) 3.144 26.445 ( 0.826 0.826 0.000) 1.168 26.566 ( -1.664 -1.664 0.000) 2.354 26.644 ( 5.738 5.738 0.000) 8.115 26.714 ( -0.693 -0.693 0.000) 0.980 26.906 ( 0.982 0.982 0.000) 1.389 26.982 ( 4.034 4.034 0.000) 5.704 27.275 ( -3.656 -3.656 0.000) 5.170 27.336 ( -1.108 -1.108 0.000) 1.568 27.418 ( -1.523 -1.523 0.000) 2.154 27.557 ( 0.832 0.832 0.000) 1.177 27.627 ( 0.722 0.722 0.000) 1.021 27.960 ( -0.809 -0.809 0.000) 1.144 27.989 ( -3.956 -3.956 0.000) 5.594 28.321 ( -7.272 -7.272 0.000) 10.284 28.430 ( -7.922 -7.922 0.000) 11.204 28.540 ( 3.209 3.209 0.000) 4.538 28.701 ( 0.715 0.715 0.000) 1.011 28.935 ( 5.253 5.253 0.000) 7.428 29.164 ( 9.577 9.577 0.000) 13.543 29.505 ( -5.430 -5.430 0.000) 7.679 29.674 ( -0.284 -0.284 0.000) 0.401 29.874 ( 3.811 3.811 0.000) 5.390 30.116 ( 0.661 0.661 0.000) 0.935 30.163 ( 1.103 1.103 0.000) 1.560 30.378 ( -1.565 -1.565 0.000) 2.214 30.428 ( -0.572 -0.572 0.000) 0.809 30.507 ( -0.330 -0.330 0.000) 0.467 30.519 ( 0.161 0.161 0.000) 0.228 30.568 ( -0.116 -0.116 0.000) 0.164 30.747 ( -0.573 -0.573 0.000) 0.810 30.833 ( -1.404 -1.404 0.000) 1.985 30.895 ( 1.218 1.218 0.000) 1.723 31.032 ( -0.914 -0.914 0.000) 1.293 33.296 ( 0.882 0.882 0.000) 1.247 33.414 ( -0.226 -0.226 0.000) 0.320 33.420 ( 0.059 0.059 0.000) 0.084 33.517 ( -0.700 -0.700 0.000) 0.990 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.269 ( 52.904 23.585 0.000) 57.923 3.379 ( 57.898 33.262 0.000) 66.772 4.268 ( -7.969 1.866 0.000) 8.185 4.473 ( 5.199 7.393 0.000) 9.038 4.905 ( 39.061 22.057 0.000) 44.859 5.282 ( 27.316 5.821 0.000) 27.930 5.794 ( -19.216 -3.188 0.000) 19.478 6.083 ( 30.324 33.102 0.000) 44.892 6.564 ( 10.239 9.888 0.000) 14.234 7.035 ( -33.565 6.929 0.000) 34.273 7.450 ( -14.638 20.893 0.000) 25.511 8.163 ( 18.428 -30.499 0.000) 35.634 8.789 ( 11.611 -28.395 0.000) 30.677 9.201 ( -9.963 -10.336 0.000) 14.356 9.685 ( -26.309 10.134 0.000) 28.193 10.223 ( -11.640 3.800 0.000) 12.245 10.354 ( -16.952 -9.938 0.000) 19.651 10.746 ( 9.334 0.449 0.000) 9.345 11.015 ( -18.785 -1.862 0.000) 18.877 11.335 ( -5.544 -6.404 0.000) 8.470 11.557 ( -10.609 6.658 0.000) 12.525 11.784 ( -14.671 10.768 0.000) 18.199 12.078 ( 5.656 10.354 0.000) 11.798 12.389 ( -11.525 -8.636 0.000) 14.401 12.641 ( 14.394 -4.877 0.000) 15.198 12.802 ( 2.990 -16.688 0.000) 16.954 13.250 ( 0.771 2.836 0.000) 2.939 13.430 ( 20.447 5.504 0.000) 21.175 13.551 ( -0.487 -0.112 0.000) 0.500 13.744 ( 10.707 -2.082 0.000) 10.908 13.906 ( 1.549 -4.426 0.000) 4.689 14.176 ( 6.774 -3.994 0.000) 7.864 14.252 ( 8.329 -3.645 0.000) 9.092 14.589 ( -9.293 0.382 0.000) 9.301 14.823 ( -18.338 -1.355 0.000) 18.388 15.026 ( -13.495 -9.150 0.000) 16.304 15.257 ( -10.775 -7.692 0.000) 13.239 15.413 ( -18.717 -10.721 0.000) 21.570 15.618 ( 2.782 -15.691 0.000) 15.936 15.844 ( 0.639 -12.132 0.000) 12.149 15.887 ( -1.183 -8.549 0.000) 8.630 16.075 ( 1.450 8.061 0.000) 8.190 16.225 ( -1.307 5.320 0.000) 5.478 16.325 ( -1.359 0.930 0.000) 1.647 16.423 ( -1.081 -3.311 0.000) 3.483 16.574 ( -6.019 -1.105 0.000) 6.120 16.739 ( 5.459 0.101 0.000) 5.460 16.864 ( 4.812 3.603 0.000) 6.011 17.040 ( 9.039 1.302 0.000) 9.132 17.056 ( 15.544 1.671 0.000) 15.633 17.275 ( -0.568 -5.513 0.000) 5.543 17.375 ( 1.422 8.918 0.000) 9.031 17.405 ( 1.590 1.069 0.000) 1.915 17.499 ( 7.172 3.887 0.000) 8.157 17.637 ( -5.331 0.687 0.000) 5.376 17.679 ( -2.302 5.520 0.000) 5.981 17.873 ( -5.219 -7.077 0.000) 8.793 17.963 ( -5.547 6.102 0.000) 8.246 18.000 ( 1.916 1.145 0.000) 2.232 18.104 ( 7.315 2.651 0.000) 7.781 18.229 ( 10.001 1.402 0.000) 10.099 18.308 ( -7.703 -5.731 0.000) 9.601 18.443 ( 4.045 -3.332 0.000) 5.241 18.488 ( 2.250 6.679 0.000) 7.048 18.688 ( -3.383 9.690 0.000) 10.264 18.941 ( -6.525 -0.646 0.000) 6.557 19.095 ( -9.931 1.821 0.000) 10.097 19.133 ( 0.330 1.096 0.000) 1.144 19.210 ( -16.189 2.297 0.000) 16.352 19.363 ( -9.091 0.285 0.000) 9.095 19.537 ( 0.630 1.065 0.000) 1.237 19.798 ( -10.249 5.882 0.000) 11.817 19.919 ( 1.954 -26.623 0.000) 26.695 19.958 ( 1.112 -7.198 0.000) 7.283 20.331 ( 9.121 -3.807 0.000) 9.883 20.417 ( 12.999 0.730 0.000) 13.020 20.664 ( -0.295 7.041 0.000) 7.048 20.914 ( -3.605 -0.050 0.000) 3.605 21.086 ( 3.864 3.263 0.000) 5.058 21.182 ( 5.408 0.437 0.000) 5.426 21.302 ( 10.869 14.176 0.000) 17.863 21.502 ( -0.476 18.560 0.000) 18.566 21.763 ( 6.177 2.376 0.000) 6.619 21.959 ( 2.768 5.078 0.000) 5.783 21.998 ( 1.584 3.910 0.000) 4.218 22.023 ( 5.220 1.071 0.000) 5.329 22.176 ( 6.475 3.236 0.000) 7.239 22.246 ( 7.360 0.977 0.000) 7.425 22.341 ( -1.922 -0.503 0.000) 1.987 22.361 ( -1.659 0.572 0.000) 1.755 22.491 ( 12.114 -0.802 0.000) 12.141 22.538 ( 1.169 -3.714 0.000) 3.894 22.563 ( -2.209 -7.548 0.000) 7.865 22.889 ( -1.055 6.934 0.000) 7.014 22.927 ( -4.551 4.695 0.000) 6.539 23.106 ( 5.386 -3.513 0.000) 6.431 23.143 ( -5.541 -1.553 0.000) 5.754 23.203 ( 1.319 -3.241 0.000) 3.499 23.307 ( 0.538 1.099 0.000) 1.223 23.372 ( -6.190 -1.080 0.000) 6.283 23.390 ( 1.387 2.573 0.000) 2.923 23.431 ( -1.618 -0.065 0.000) 1.620 23.514 ( -0.463 -5.789 0.000) 5.807 23.544 ( -1.403 -3.285 0.000) 3.572 23.582 ( -4.500 -4.021 0.000) 6.035 23.618 ( -4.648 -2.314 0.000) 5.192 23.764 ( 1.222 1.528 0.000) 1.957 23.865 ( -2.777 4.358 0.000) 5.168 24.037 ( 5.782 1.866 0.000) 6.075 24.192 ( 1.831 -1.689 0.000) 2.491 24.382 ( -3.226 -4.184 0.000) 5.283 24.440 ( -6.370 -2.082 0.000) 6.702 24.525 ( 0.417 1.006 0.000) 1.089 24.629 ( -3.504 -0.727 0.000) 3.579 24.898 ( 0.648 6.949 0.000) 6.979 24.923 ( -3.252 2.022 0.000) 3.830 25.201 ( 5.223 -2.366 0.000) 5.734 25.269 ( 1.346 0.611 0.000) 1.478 25.336 ( 5.790 -3.068 0.000) 6.553 25.742 ( 8.625 3.751 0.000) 9.406 25.766 ( -12.418 -6.638 0.000) 14.081 26.070 ( -6.039 -0.023 0.000) 6.039 26.149 ( 1.213 -2.120 0.000) 2.443 26.239 ( -4.214 0.126 0.000) 4.216 26.438 ( 4.123 -1.197 0.000) 4.293 26.525 ( 5.274 -1.288 0.000) 5.430 26.560 ( 0.723 -1.109 0.000) 1.324 26.657 ( -4.477 -0.947 0.000) 4.576 26.748 ( 4.728 5.766 0.000) 7.457 26.889 ( -2.523 3.640 0.000) 4.429 27.084 ( 5.724 0.265 0.000) 5.730 27.250 ( -0.132 -0.002 0.000) 0.132 27.313 ( 0.764 0.962 0.000) 1.229 27.400 ( -0.306 -1.177 0.000) 1.216 27.539 ( -2.284 0.487 0.000) 2.335 27.622 ( -2.874 1.194 0.000) 3.112 27.886 ( -4.504 1.050 0.000) 4.625 27.934 ( -2.414 0.053 0.000) 2.415 28.226 ( -2.373 -10.840 0.000) 11.097 28.293 ( -5.635 -7.586 0.000) 9.450 28.604 ( 3.429 1.601 0.000) 3.785 28.703 ( -1.141 0.510 0.000) 1.250 29.073 ( 8.282 1.671 0.000) 8.449 29.301 ( 2.345 7.981 0.000) 8.319 29.424 ( -0.278 -2.404 0.000) 2.420 29.627 ( -4.398 3.409 0.000) 5.564 29.966 ( 5.483 0.799 0.000) 5.541 30.112 ( -1.380 0.503 0.000) 1.469 30.204 ( 3.101 0.063 0.000) 3.102 30.334 ( -3.061 -1.099 0.000) 3.252 30.426 ( 0.457 -0.323 0.000) 0.560 30.486 ( -1.797 0.162 0.000) 1.804 30.528 ( 0.746 -0.909 0.000) 1.176 30.558 ( -0.724 -0.357 0.000) 0.808 30.745 ( 0.351 -0.249 0.000) 0.431 30.792 ( -2.172 0.308 0.000) 2.194 30.935 ( 2.294 -0.736 0.000) 2.409 31.008 ( -1.573 -0.946 0.000) 1.836 33.320 ( 1.595 0.911 0.000) 1.837 33.389 ( -1.764 0.869 0.000) 1.966 33.441 ( 1.477 -0.953 0.000) 1.758 33.498 ( -1.295 -0.796 0.000) 1.520 ======================= Grid point 10 (7/60) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.965 ( -12.785 3.802 0.000) 13.338 3.965 ( 12.785 3.802 0.000) 13.338 4.301 ( -26.936 17.317 0.000) 32.022 4.301 ( 26.936 17.317 0.000) 32.022 5.317 ( -15.581 8.853 0.000) 17.921 5.317 ( 15.581 8.853 0.000) 17.921 5.949 ( -35.323 2.139 0.000) 35.388 5.949 ( 35.323 2.139 0.000) 35.388 6.718 ( -16.768 25.127 0.000) 30.208 6.718 ( 16.768 25.127 0.000) 30.208 8.134 ( -57.951 9.145 0.000) 58.668 8.134 ( 57.951 9.145 0.000) 58.668 8.741 ( -3.352 -6.093 0.000) 6.954 8.741 ( 3.352 -6.093 0.000) 6.954 9.629 ( -27.470 -24.468 0.000) 36.787 9.629 ( 27.470 -24.468 0.000) 36.787 10.592 ( -16.889 3.429 0.000) 17.233 10.592 ( 16.889 3.429 0.000) 17.233 11.174 ( -15.846 1.753 0.000) 15.942 11.174 ( 15.846 1.753 0.000) 15.942 11.487 ( -6.862 0.880 0.000) 6.918 11.487 ( 6.862 0.880 0.000) 6.918 12.194 ( -1.225 8.820 0.000) 8.905 12.194 ( 1.225 8.820 0.000) 8.905 12.798 ( -0.864 -7.925 0.000) 7.972 12.798 ( 0.864 -7.925 0.000) 7.972 13.424 ( -4.033 -3.367 0.000) 5.254 13.424 ( 4.033 -3.367 0.000) 5.254 13.868 ( -7.778 -2.276 0.000) 8.104 13.868 ( 7.778 -2.276 0.000) 8.104 13.967 ( -15.135 -3.414 0.000) 15.515 13.967 ( 15.135 -3.414 0.000) 15.515 14.458 ( -10.082 -0.863 0.000) 10.119 14.458 ( 10.082 -0.863 0.000) 10.119 14.731 ( -12.129 -4.515 0.000) 12.943 14.731 ( 12.129 -4.515 0.000) 12.943 15.177 ( -0.953 -10.085 0.000) 10.130 15.177 ( 0.953 -10.085 0.000) 10.130 15.729 ( -1.285 -20.412 0.000) 20.452 15.729 ( 1.285 -20.412 0.000) 20.452 15.998 ( -7.928 2.992 0.000) 8.474 15.998 ( 7.928 2.992 0.000) 8.474 16.293 ( -4.090 1.240 0.000) 4.274 16.293 ( 4.090 1.240 0.000) 4.274 16.435 ( -1.054 -2.086 0.000) 2.337 16.435 ( 1.054 -2.086 0.000) 2.337 16.841 ( -1.497 3.608 0.000) 3.906 16.841 ( 1.497 3.608 0.000) 3.906 17.204 ( -4.018 -0.306 0.000) 4.030 17.204 ( 4.018 -0.306 0.000) 4.030 17.355 ( -5.613 2.992 0.000) 6.360 17.355 ( 5.613 2.992 0.000) 6.360 17.448 ( -9.640 -0.194 0.000) 9.642 17.448 ( 9.640 -0.194 0.000) 9.642 17.724 ( -5.439 -3.623 0.000) 6.535 17.724 ( 5.439 -3.623 0.000) 6.535 17.760 ( -1.125 2.183 0.000) 2.456 17.760 ( 1.125 2.183 0.000) 2.456 18.101 ( -7.019 2.525 0.000) 7.460 18.101 ( 7.019 2.525 0.000) 7.460 18.269 ( -5.231 5.889 0.000) 7.877 18.269 ( 5.231 5.889 0.000) 7.877 18.573 ( -1.293 4.981 0.000) 5.146 18.573 ( 1.293 4.981 0.000) 5.146 18.684 ( -8.013 4.572 0.000) 9.226 18.684 ( 8.013 4.572 0.000) 9.226 19.004 ( -3.055 -0.826 0.000) 3.165 19.004 ( 3.055 -0.826 0.000) 3.165 19.218 ( -2.065 -4.103 0.000) 4.593 19.218 ( 2.065 -4.103 0.000) 4.593 19.643 ( -5.777 13.795 0.000) 14.956 19.643 ( 5.777 13.795 0.000) 14.956 19.941 ( -0.166 -20.796 0.000) 20.796 19.941 ( 0.166 -20.796 0.000) 20.796 20.518 ( -5.149 -2.589 0.000) 5.764 20.518 ( 5.149 -2.589 0.000) 5.764 20.737 ( -10.222 3.788 0.000) 10.901 20.737 ( 10.222 3.788 0.000) 10.901 21.189 ( -0.809 3.506 0.000) 3.598 21.189 ( 0.809 3.506 0.000) 3.598 21.475 ( -4.701 16.341 0.000) 17.004 21.475 ( 4.701 16.341 0.000) 17.004 21.900 ( -4.794 3.814 0.000) 6.126 21.900 ( 4.794 3.814 0.000) 6.126 22.024 ( -0.301 2.217 0.000) 2.237 22.024 ( 0.301 2.217 0.000) 2.237 22.254 ( -0.264 -2.146 0.000) 2.162 22.254 ( 0.264 -2.146 0.000) 2.162 22.335 ( -0.633 -2.400 0.000) 2.482 22.335 ( 0.633 -2.400 0.000) 2.482 22.563 ( -0.295 -0.514 0.000) 0.592 22.563 ( 0.295 -0.514 0.000) 0.592 22.800 ( -7.132 1.354 0.000) 7.260 22.800 ( 7.132 1.354 0.000) 7.260 22.940 ( -7.232 0.815 0.000) 7.277 22.940 ( 7.232 0.815 0.000) 7.277 23.222 ( -3.605 -1.055 0.000) 3.756 23.222 ( 3.605 -1.055 0.000) 3.756 23.269 ( -0.749 -1.437 0.000) 1.620 23.269 ( 0.749 -1.437 0.000) 1.620 23.416 ( -1.355 -0.981 0.000) 1.673 23.416 ( 1.355 -0.981 0.000) 1.673 23.523 ( -0.032 -4.509 0.000) 4.509 23.523 ( 0.032 -4.509 0.000) 4.509 23.557 ( -0.435 -2.275 0.000) 2.317 23.557 ( 0.435 -2.275 0.000) 2.317 23.807 ( -1.507 4.478 0.000) 4.725 23.807 ( 1.507 4.478 0.000) 4.725 24.165 ( -2.397 1.145 0.000) 2.657 24.165 ( 2.397 1.145 0.000) 2.657 24.350 ( -1.123 -3.885 0.000) 4.044 24.350 ( 1.123 -3.885 0.000) 4.044 24.564 ( -2.953 0.785 0.000) 3.055 24.564 ( 2.953 0.785 0.000) 3.055 24.893 ( -0.002 5.413 0.000) 5.413 24.893 ( 0.002 5.413 0.000) 5.413 25.265 ( -0.259 -1.515 0.000) 1.537 25.265 ( 0.259 -1.515 0.000) 1.537 25.524 ( -12.519 -4.834 0.000) 13.420 25.524 ( 12.519 -4.834 0.000) 13.420 25.917 ( -6.942 1.450 0.000) 7.092 25.917 ( 6.942 1.450 0.000) 7.092 26.181 ( -0.687 -2.162 0.000) 2.269 26.181 ( 0.687 -2.162 0.000) 2.269 26.521 ( -2.894 0.250 0.000) 2.905 26.521 ( 2.894 0.250 0.000) 2.905 26.601 ( -2.150 -3.568 0.000) 4.166 26.601 ( 2.150 -3.568 0.000) 4.166 26.825 ( -2.323 5.146 0.000) 5.646 26.825 ( 2.323 5.146 0.000) 5.646 27.188 ( -5.048 1.550 0.000) 5.281 27.188 ( 5.048 1.550 0.000) 5.281 27.389 ( -2.666 0.346 0.000) 2.688 27.389 ( 2.666 0.346 0.000) 2.688 27.525 ( -3.600 0.771 0.000) 3.681 27.525 ( 3.600 0.771 0.000) 3.681 27.880 ( -2.396 1.190 0.000) 2.675 27.880 ( 2.396 1.190 0.000) 2.675 28.224 ( -0.536 -10.025 0.000) 10.039 28.224 ( 0.536 -10.025 0.000) 10.039 28.664 ( -2.136 1.064 0.000) 2.386 28.664 ( 2.136 1.064 0.000) 2.386 29.221 ( -6.732 0.904 0.000) 6.793 29.221 ( 6.732 0.904 0.000) 6.793 29.520 ( -6.480 4.586 0.000) 7.939 29.520 ( 6.480 4.586 0.000) 7.939 30.060 ( -3.505 0.185 0.000) 3.510 30.060 ( 3.505 0.185 0.000) 3.510 30.269 ( -3.680 -0.635 0.000) 3.734 30.269 ( 3.680 -0.635 0.000) 3.734 30.449 ( -1.782 0.071 0.000) 1.783 30.449 ( 1.782 0.071 0.000) 1.783 30.543 ( -0.553 -0.919 0.000) 1.073 30.543 ( 0.553 -0.919 0.000) 1.073 30.760 ( -0.318 0.195 0.000) 0.373 30.760 ( 0.318 0.195 0.000) 0.373 30.974 ( -1.976 -0.896 0.000) 2.169 30.974 ( 1.976 -0.896 0.000) 2.169 33.354 ( -1.899 0.916 0.000) 2.109 33.354 ( 1.899 0.916 0.000) 2.109 33.470 ( -1.522 -0.897 0.000) 1.767 33.470 ( 1.522 -0.897 0.000) 1.767 ======================= Grid point 16 (8/60) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( 21.566 21.566 0.000) 30.499 4.066 ( 36.606 36.606 0.000) 51.769 4.204 ( -6.491 -6.491 0.000) 9.180 4.692 ( 9.768 9.768 0.000) 13.814 5.212 ( 8.325 8.325 0.000) 11.773 5.547 ( 13.400 13.400 0.000) 18.950 5.633 ( 1.319 1.319 0.000) 1.865 6.743 ( 12.688 12.688 0.000) 17.943 7.032 ( 31.149 31.149 0.000) 44.052 7.224 ( 12.198 12.198 0.000) 17.251 7.463 ( -14.547 -14.547 0.000) 20.573 8.011 ( 28.903 28.903 0.000) 40.875 8.384 ( -9.871 -9.871 0.000) 13.960 8.914 ( -13.035 -13.035 0.000) 18.435 9.719 ( -34.293 -34.293 0.000) 48.498 9.896 ( -0.048 -0.048 0.000) 0.068 10.565 ( 6.289 6.289 0.000) 8.893 10.800 ( -13.096 -13.096 0.000) 18.521 10.809 ( 5.686 5.686 0.000) 8.041 11.228 ( -3.774 -3.774 0.000) 5.337 11.545 ( -13.199 -13.199 0.000) 18.666 11.896 ( -8.379 -8.379 0.000) 11.849 12.095 ( -8.579 -8.579 0.000) 12.133 12.232 ( -13.027 -13.027 0.000) 18.423 12.340 ( 12.250 12.250 0.000) 17.324 12.903 ( 12.650 12.650 0.000) 17.890 13.053 ( -16.092 -16.092 0.000) 22.758 13.552 ( -7.358 -7.358 0.000) 10.406 13.644 ( 15.558 15.558 0.000) 22.003 13.804 ( 13.470 13.470 0.000) 19.050 13.997 ( 6.931 6.931 0.000) 9.802 14.094 ( 0.942 0.942 0.000) 1.332 14.294 ( 7.129 7.129 0.000) 10.083 14.581 ( -7.154 -7.154 0.000) 10.117 14.747 ( -11.837 -11.837 0.000) 16.739 14.804 ( -4.457 -4.457 0.000) 6.303 15.078 ( -11.460 -11.460 0.000) 16.206 15.177 ( -14.560 -14.560 0.000) 20.592 15.340 ( -9.511 -9.511 0.000) 13.451 15.516 ( -15.419 -15.419 0.000) 21.806 15.832 ( 0.947 0.947 0.000) 1.339 16.173 ( -11.623 -11.623 0.000) 16.438 16.254 ( 5.406 5.406 0.000) 7.645 16.328 ( 6.379 6.379 0.000) 9.022 16.456 ( -2.727 -2.727 0.000) 3.857 16.505 ( -0.566 -0.566 0.000) 0.800 16.782 ( 6.016 6.016 0.000) 8.508 17.008 ( 8.468 8.468 0.000) 11.975 17.026 ( 0.371 0.371 0.000) 0.525 17.176 ( 8.979 8.979 0.000) 12.699 17.263 ( 3.297 3.297 0.000) 4.662 17.409 ( -1.621 -1.621 0.000) 2.292 17.448 ( -0.768 -0.768 0.000) 1.085 17.599 ( -4.476 -4.476 0.000) 6.330 17.601 ( 4.261 4.261 0.000) 6.026 17.656 ( -4.025 -4.025 0.000) 5.693 17.779 ( -3.342 -3.342 0.000) 4.726 17.923 ( -7.927 -7.927 0.000) 11.210 18.102 ( 3.660 3.660 0.000) 5.176 18.201 ( 8.022 8.022 0.000) 11.344 18.231 ( -0.181 -0.181 0.000) 0.255 18.296 ( 11.761 11.761 0.000) 16.633 18.504 ( 6.144 6.144 0.000) 8.690 18.618 ( 1.860 1.860 0.000) 2.630 18.840 ( 4.071 4.071 0.000) 5.758 18.889 ( -2.408 -2.408 0.000) 3.405 19.041 ( -10.882 -10.882 0.000) 15.389 19.110 ( -3.015 -3.015 0.000) 4.265 19.118 ( -8.583 -8.583 0.000) 12.139 19.362 ( -11.066 -11.066 0.000) 15.650 19.386 ( -2.564 -2.564 0.000) 3.626 19.481 ( -10.102 -10.102 0.000) 14.286 19.972 ( 7.882 7.882 0.000) 11.146 20.057 ( 6.386 6.386 0.000) 9.032 20.341 ( 5.515 5.515 0.000) 7.800 20.467 ( 5.728 5.728 0.000) 8.100 20.728 ( 0.325 0.325 0.000) 0.460 21.047 ( -1.366 -1.366 0.000) 1.932 21.060 ( 8.330 8.330 0.000) 11.780 21.188 ( 2.126 2.126 0.000) 3.007 21.491 ( 7.125 7.125 0.000) 10.076 21.717 ( 2.866 2.866 0.000) 4.053 21.894 ( 8.720 8.720 0.000) 12.332 22.023 ( 3.025 3.025 0.000) 4.278 22.078 ( 3.352 3.352 0.000) 4.741 22.120 ( 0.979 0.979 0.000) 1.384 22.230 ( -5.150 -5.150 0.000) 7.283 22.254 ( 3.559 3.559 0.000) 5.034 22.263 ( -2.934 -2.934 0.000) 4.150 22.379 ( -1.099 -1.099 0.000) 1.554 22.465 ( 7.241 7.241 0.000) 10.241 22.555 ( 6.268 6.268 0.000) 8.865 22.556 ( 4.862 4.862 0.000) 6.876 22.948 ( -4.274 -4.274 0.000) 6.044 22.992 ( -2.199 -2.199 0.000) 3.110 23.050 ( 4.102 4.102 0.000) 5.801 23.108 ( -3.163 -3.163 0.000) 4.473 23.137 ( -1.464 -1.464 0.000) 2.070 23.286 ( -4.125 -4.125 0.000) 5.833 23.365 ( -0.551 -0.551 0.000) 0.780 23.371 ( -6.298 -6.298 0.000) 8.907 23.415 ( -2.143 -2.143 0.000) 3.031 23.442 ( -0.159 -0.159 0.000) 0.224 23.485 ( -2.348 -2.348 0.000) 3.320 23.503 ( -1.474 -1.474 0.000) 2.085 23.573 ( -2.457 -2.457 0.000) 3.475 23.820 ( 4.023 4.023 0.000) 5.689 23.922 ( 0.873 0.873 0.000) 1.234 24.100 ( 4.793 4.793 0.000) 6.779 24.163 ( -0.671 -0.671 0.000) 0.949 24.302 ( -3.887 -3.887 0.000) 5.497 24.375 ( -4.756 -4.756 0.000) 6.725 24.546 ( 1.335 1.335 0.000) 1.888 24.606 ( -1.616 -1.616 0.000) 2.286 24.969 ( 2.952 2.952 0.000) 4.175 25.045 ( 5.587 5.587 0.000) 7.902 25.176 ( 1.306 1.306 0.000) 1.847 25.272 ( -1.266 -1.266 0.000) 1.791 25.288 ( 0.224 0.224 0.000) 0.317 25.603 ( -10.352 -10.352 0.000) 14.640 25.833 ( 5.889 5.889 0.000) 8.329 26.075 ( -0.794 -0.794 0.000) 1.122 26.086 ( -3.203 -3.203 0.000) 4.529 26.212 ( -3.969 -3.969 0.000) 5.613 26.382 ( 0.107 0.107 0.000) 0.152 26.570 ( -4.517 -4.517 0.000) 6.388 26.576 ( 2.241 2.241 0.000) 3.169 26.579 ( 0.917 0.917 0.000) 1.297 26.854 ( 5.055 5.055 0.000) 7.148 26.949 ( 0.972 0.972 0.000) 1.374 27.129 ( 5.235 5.235 0.000) 7.404 27.301 ( 3.841 3.841 0.000) 5.433 27.311 ( 0.148 0.148 0.000) 0.209 27.389 ( 0.393 0.393 0.000) 0.555 27.530 ( -1.712 -1.712 0.000) 2.421 27.617 ( -2.742 -2.742 0.000) 3.877 27.911 ( 0.482 0.482 0.000) 0.682 27.918 ( -1.228 -1.228 0.000) 1.736 28.042 ( -6.367 -6.367 0.000) 9.004 28.134 ( -8.113 -8.113 0.000) 11.474 28.631 ( 1.676 1.676 0.000) 2.370 28.701 ( -1.015 -1.015 0.000) 1.435 29.148 ( 5.422 5.422 0.000) 7.668 29.331 ( -3.387 -3.387 0.000) 4.790 29.484 ( 7.137 7.137 0.000) 10.094 29.659 ( -0.620 -0.620 0.000) 0.877 30.000 ( 2.980 2.980 0.000) 4.214 30.112 ( -1.089 -1.089 0.000) 1.540 30.213 ( 1.283 1.283 0.000) 1.814 30.301 ( -2.353 -2.353 0.000) 3.327 30.429 ( 0.787 0.787 0.000) 1.113 30.486 ( -0.694 -0.694 0.000) 0.981 30.508 ( -0.589 -0.589 0.000) 0.833 30.542 ( -1.267 -1.267 0.000) 1.792 30.749 ( 0.580 0.580 0.000) 0.820 30.784 ( -0.978 -0.978 0.000) 1.383 30.936 ( 0.851 0.851 0.000) 1.203 30.985 ( -1.394 -1.394 0.000) 1.971 33.344 ( 1.606 1.606 0.000) 2.271 33.405 ( -0.213 -0.213 0.000) 0.302 33.422 ( 0.059 0.059 0.000) 0.084 33.477 ( -1.424 -1.424 0.000) 2.013 ======================= Grid point 17 (9/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.032 ( -4.090 2.798 0.000) 4.956 4.032 ( 4.090 2.798 0.000) 4.956 4.629 ( -18.883 14.963 0.000) 24.093 4.629 ( 18.883 14.963 0.000) 24.093 5.350 ( -2.381 -3.904 0.000) 4.572 5.350 ( 2.381 -3.904 0.000) 4.572 6.308 ( -44.051 32.899 0.000) 54.980 6.308 ( 44.051 32.899 0.000) 54.980 7.166 ( -9.678 16.346 0.000) 18.996 7.166 ( 9.678 16.346 0.000) 18.996 7.998 ( -22.998 -18.893 0.000) 29.763 7.998 ( 22.998 -18.893 0.000) 29.763 9.004 ( -27.970 13.223 0.000) 30.938 9.004 ( 27.970 13.223 0.000) 30.938 9.184 ( -30.334 -0.821 0.000) 30.345 9.184 ( 30.334 -0.821 0.000) 30.345 10.658 ( -6.134 3.471 0.000) 7.049 10.658 ( 6.134 3.471 0.000) 7.049 11.124 ( -9.915 -5.337 0.000) 11.260 11.124 ( 9.915 -5.337 0.000) 11.260 11.463 ( -17.141 -12.044 0.000) 20.950 11.463 ( 17.141 -12.044 0.000) 20.950 12.124 ( -0.536 -20.922 0.000) 20.928 12.124 ( 0.536 -20.922 0.000) 20.928 12.646 ( -12.635 2.723 0.000) 12.925 12.646 ( 12.635 2.723 0.000) 12.925 13.291 ( -8.632 -4.101 0.000) 9.557 13.291 ( 8.632 -4.101 0.000) 9.557 13.952 ( -8.986 9.044 0.000) 12.749 13.952 ( 8.986 9.044 0.000) 12.749 14.070 ( -13.035 10.181 0.000) 16.540 14.070 ( 13.035 10.181 0.000) 16.540 14.417 ( -7.092 -2.136 0.000) 7.406 14.417 ( 7.092 -2.136 0.000) 7.406 14.685 ( -3.275 -0.315 0.000) 3.290 14.685 ( 3.275 -0.315 0.000) 3.290 14.963 ( -0.114 -13.695 0.000) 13.696 14.963 ( 0.114 -13.695 0.000) 13.696 15.324 ( -0.407 -18.360 0.000) 18.364 15.324 ( 0.407 -18.360 0.000) 18.364 15.942 ( -9.262 -7.530 0.000) 11.936 15.942 ( 9.262 -7.530 0.000) 11.936 16.327 ( -4.158 -1.042 0.000) 4.287 16.327 ( 4.158 -1.042 0.000) 4.287 16.482 ( -1.364 8.369 0.000) 8.480 16.482 ( 1.364 8.369 0.000) 8.480 16.929 ( -4.851 5.504 0.000) 7.337 16.929 ( 4.851 5.504 0.000) 7.337 17.218 ( -6.079 1.739 0.000) 6.323 17.218 ( 6.079 1.739 0.000) 6.323 17.375 ( -1.932 -1.412 0.000) 2.393 17.375 ( 1.932 -1.412 0.000) 2.393 17.438 ( -4.223 -1.464 0.000) 4.469 17.438 ( 4.223 -1.464 0.000) 4.469 17.641 ( -0.396 -2.248 0.000) 2.282 17.641 ( 0.396 -2.248 0.000) 2.282 17.777 ( -2.727 -2.201 0.000) 3.505 17.777 ( 2.727 -2.201 0.000) 3.505 18.190 ( -4.128 7.336 0.000) 8.417 18.190 ( 4.128 7.336 0.000) 8.417 18.397 ( -9.572 7.579 0.000) 12.209 18.397 ( 9.572 7.579 0.000) 12.209 18.628 ( -2.046 -0.117 0.000) 2.049 18.628 ( 2.046 -0.117 0.000) 2.049 18.768 ( -1.755 2.015 0.000) 2.673 18.768 ( 1.755 2.015 0.000) 2.673 18.991 ( -2.059 -1.141 0.000) 2.354 18.991 ( 2.059 -1.141 0.000) 2.354 19.134 ( -2.719 -3.240 0.000) 4.230 19.134 ( 2.719 -3.240 0.000) 4.230 19.424 ( -0.449 -18.367 0.000) 18.372 19.424 ( 0.449 -18.367 0.000) 18.372 20.064 ( -0.589 13.371 0.000) 13.384 20.064 ( 0.589 13.371 0.000) 13.384 20.472 ( -3.640 -1.647 0.000) 3.996 20.472 ( 3.640 -1.647 0.000) 3.996 20.871 ( -12.210 10.996 0.000) 16.432 20.871 ( 12.210 10.996 0.000) 16.432 21.209 ( -1.737 0.788 0.000) 1.907 21.209 ( 1.737 0.788 0.000) 1.907 21.664 ( -2.245 0.510 0.000) 2.302 21.664 ( 2.245 0.510 0.000) 2.302 22.007 ( -4.955 3.180 0.000) 5.888 22.007 ( 4.955 3.180 0.000) 5.888 22.082 ( -1.838 4.430 0.000) 4.797 22.082 ( 1.838 4.430 0.000) 4.797 22.200 ( -2.405 -3.691 0.000) 4.405 22.200 ( 2.405 -3.691 0.000) 4.405 22.329 ( -0.623 6.536 0.000) 6.566 22.329 ( 0.623 6.536 0.000) 6.566 22.629 ( -0.349 6.262 0.000) 6.272 22.629 ( 0.349 6.262 0.000) 6.272 22.763 ( -9.898 -5.006 0.000) 11.092 22.763 ( 9.898 -5.006 0.000) 11.092 22.976 ( -1.306 2.613 0.000) 2.921 22.976 ( 1.306 2.613 0.000) 2.921 23.179 ( -0.395 -4.045 0.000) 4.064 23.179 ( 0.395 -4.045 0.000) 4.064 23.219 ( -1.922 -3.961 0.000) 4.403 23.219 ( 1.922 -3.961 0.000) 4.403 23.372 ( -1.093 -3.169 0.000) 3.352 23.372 ( 1.093 -3.169 0.000) 3.352 23.456 ( -0.199 -1.933 0.000) 1.943 23.456 ( 0.199 -1.933 0.000) 1.943 23.527 ( -1.228 -0.466 0.000) 1.313 23.527 ( 1.228 -0.466 0.000) 1.313 23.894 ( -2.480 4.287 0.000) 4.953 23.894 ( 2.480 4.287 0.000) 4.953 24.166 ( -0.051 -1.296 0.000) 1.297 24.166 ( 0.051 -1.296 0.000) 1.297 24.283 ( -2.134 -2.634 0.000) 3.390 24.283 ( 2.134 -2.634 0.000) 3.390 24.574 ( -1.621 0.330 0.000) 1.655 24.574 ( 1.621 0.330 0.000) 1.655 25.034 ( -1.834 9.318 0.000) 9.497 25.034 ( 1.834 9.318 0.000) 9.497 25.237 ( -0.270 -1.268 0.000) 1.297 25.237 ( 0.270 -1.268 0.000) 1.297 25.399 ( -9.548 -8.276 0.000) 12.635 25.399 ( 9.548 -8.276 0.000) 12.635 25.958 ( -4.693 2.719 0.000) 5.423 25.958 ( 4.693 2.719 0.000) 5.423 26.129 ( -1.069 -3.072 0.000) 3.253 26.129 ( 1.069 -3.072 0.000) 3.253 26.447 ( -5.633 -5.807 0.000) 8.090 26.447 ( 5.633 -5.807 0.000) 8.090 26.607 ( -0.009 2.544 0.000) 2.544 26.607 ( 0.009 2.544 0.000) 2.544 26.926 ( -1.662 4.318 0.000) 4.627 26.926 ( 1.662 4.318 0.000) 4.627 27.243 ( -5.354 4.553 0.000) 7.029 27.243 ( 5.354 4.553 0.000) 7.029 27.402 ( -0.616 1.202 0.000) 1.350 27.402 ( 0.616 1.202 0.000) 1.350 27.522 ( -4.150 -1.715 0.000) 4.491 27.522 ( 4.150 -1.715 0.000) 4.491 27.905 ( -0.967 0.906 0.000) 1.325 27.905 ( 0.967 0.906 0.000) 1.325 28.024 ( -1.956 -9.458 0.000) 9.658 28.024 ( 1.956 -9.458 0.000) 9.658 28.669 ( -2.035 -0.307 0.000) 2.058 28.669 ( 2.035 -0.307 0.000) 2.058 29.250 ( -3.117 1.726 0.000) 3.563 29.250 ( 3.117 1.726 0.000) 3.563 29.603 ( -4.925 3.584 0.000) 6.091 29.603 ( 4.925 3.584 0.000) 6.091 30.066 ( -2.392 0.446 0.000) 2.433 30.066 ( 2.392 0.446 0.000) 2.433 30.252 ( -2.615 -1.052 0.000) 2.818 30.252 ( 2.615 -1.052 0.000) 2.818 30.455 ( -1.730 0.719 0.000) 1.873 30.455 ( 1.730 0.719 0.000) 1.873 30.518 ( -0.614 -1.683 0.000) 1.792 30.518 ( 0.614 -1.683 0.000) 1.792 30.764 ( -0.123 0.208 0.000) 0.242 30.764 ( 0.123 0.208 0.000) 0.242 30.959 ( -1.414 -0.665 0.000) 1.562 30.959 ( 1.414 -0.665 0.000) 1.562 33.377 ( -1.780 1.522 0.000) 2.341 33.377 ( 1.780 1.522 0.000) 2.341 33.447 ( -1.410 -1.504 0.000) 2.061 33.447 ( 1.410 -1.504 0.000) 2.061 ======================= Grid point 27 (10/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.059 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 6.960 ( -0.000 -0.000 0.000) 0.000 6.960 ( -0.000 -0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 6.985 ( 0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 9.674 ( 0.000 0.000 0.000) 0.000 9.674 ( 0.000 0.000 0.000) 0.000 10.770 ( -0.000 -0.000 0.000) 0.000 10.770 ( 0.000 0.000 0.000) 0.000 10.874 ( 0.000 0.000 0.000) 0.000 10.874 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.196 ( 0.000 0.000 0.000) 0.000 11.935 ( 0.000 0.000 0.000) 0.000 11.935 ( 0.000 0.000 0.000) 0.000 12.718 ( -0.000 -0.000 0.000) 0.000 12.718 ( 0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.184 ( 0.000 0.000 0.000) 0.000 14.184 ( 0.000 0.000 0.000) 0.000 14.517 ( -0.000 -0.000 0.000) 0.000 14.517 ( -0.000 -0.000 0.000) 0.000 14.594 ( 0.000 0.000 0.000) 0.000 14.594 ( 0.000 0.000 0.000) 0.000 14.774 ( 0.000 0.000 0.000) 0.000 14.774 ( 0.000 0.000 0.000) 0.000 15.159 ( 0.000 0.000 0.000) 0.000 15.159 ( 0.000 0.000 0.000) 0.000 15.846 ( 0.000 0.000 0.000) 0.000 15.846 ( 0.000 0.000 0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 16.594 ( 0.000 0.000 0.000) 0.000 16.594 ( 0.000 0.000 0.000) 0.000 16.990 ( 0.000 0.000 0.000) 0.000 16.990 ( 0.000 0.000 0.000) 0.000 17.289 ( -0.000 -0.000 0.000) 0.000 17.289 ( 0.000 0.000 0.000) 0.000 17.299 ( 0.000 0.000 0.000) 0.000 17.299 ( 0.000 0.000 0.000) 0.000 17.407 ( 0.000 0.000 0.000) 0.000 17.407 ( 0.000 0.000 0.000) 0.000 17.641 ( 0.000 0.000 0.000) 0.000 17.641 ( 0.000 0.000 0.000) 0.000 17.736 ( 0.000 0.000 0.000) 0.000 17.736 ( 0.000 0.000 0.000) 0.000 18.308 ( 0.000 0.000 0.000) 0.000 18.308 ( 0.000 0.000 0.000) 0.000 18.476 ( 0.000 0.000 0.000) 0.000 18.476 ( 0.000 0.000 0.000) 0.000 18.627 ( 0.000 0.000 0.000) 0.000 18.627 ( 0.000 0.000 0.000) 0.000 18.715 ( 0.000 0.000 0.000) 0.000 18.715 ( 0.000 0.000 0.000) 0.000 19.001 ( 0.000 0.000 0.000) 0.000 19.001 ( 0.000 0.000 0.000) 0.000 19.117 ( 0.000 0.000 0.000) 0.000 19.117 ( 0.000 0.000 0.000) 0.000 19.235 ( 0.000 0.000 0.000) 0.000 19.235 ( 0.000 0.000 0.000) 0.000 20.174 ( 0.000 0.000 0.000) 0.000 20.174 ( 0.000 0.000 0.000) 0.000 20.462 ( 0.000 0.000 0.000) 0.000 20.462 ( 0.000 0.000 0.000) 0.000 21.027 ( 0.000 0.000 0.000) 0.000 21.027 ( 0.000 0.000 0.000) 0.000 21.230 ( 0.000 0.000 0.000) 0.000 21.230 ( 0.000 0.000 0.000) 0.000 21.616 ( 0.000 0.000 0.000) 0.000 21.616 ( 0.000 0.000 0.000) 0.000 22.012 ( 0.000 0.000 0.000) 0.000 22.012 ( 0.000 0.000 0.000) 0.000 22.128 ( -0.000 -0.000 0.000) 0.000 22.128 ( 0.000 0.000 0.000) 0.000 22.154 ( 0.000 0.000 0.000) 0.000 22.154 ( 0.000 0.000 0.000) 0.000 22.487 ( 0.000 0.000 0.000) 0.000 22.487 ( 0.000 0.000 0.000) 0.000 22.654 ( -0.000 -0.000 0.000) 0.000 22.654 ( 0.000 0.000 0.000) 0.000 22.724 ( 0.000 0.000 0.000) 0.000 22.724 ( 0.000 0.000 0.000) 0.000 23.023 ( 0.000 0.000 0.000) 0.000 23.023 ( 0.000 0.000 0.000) 0.000 23.089 ( -0.000 -0.000 0.000) 0.000 23.089 ( -0.000 -0.000 0.000) 0.000 23.177 ( 0.000 0.000 0.000) 0.000 23.177 ( 0.000 0.000 0.000) 0.000 23.337 ( 0.000 0.000 0.000) 0.000 23.337 ( 0.000 0.000 0.000) 0.000 23.442 ( 0.000 0.000 0.000) 0.000 23.442 ( 0.000 0.000 0.000) 0.000 23.527 ( 0.000 0.000 0.000) 0.000 23.527 ( 0.000 0.000 0.000) 0.000 23.941 ( 0.000 0.000 0.000) 0.000 23.941 ( 0.000 0.000 0.000) 0.000 24.145 ( 0.000 0.000 0.000) 0.000 24.145 ( 0.000 0.000 0.000) 0.000 24.258 ( 0.000 0.000 0.000) 0.000 24.258 ( 0.000 0.000 0.000) 0.000 24.577 ( 0.000 0.000 0.000) 0.000 24.577 ( 0.000 0.000 0.000) 0.000 25.206 ( 0.000 0.000 0.000) 0.000 25.206 ( 0.000 0.000 0.000) 0.000 25.224 ( 0.000 0.000 0.000) 0.000 25.224 ( 0.000 0.000 0.000) 0.000 25.239 ( -0.000 -0.000 0.000) 0.000 25.239 ( -0.000 -0.000 0.000) 0.000 25.995 ( 0.000 0.000 0.000) 0.000 25.995 ( 0.000 0.000 0.000) 0.000 26.089 ( 0.000 0.000 0.000) 0.000 26.089 ( 0.000 0.000 0.000) 0.000 26.385 ( 0.000 0.000 0.000) 0.000 26.385 ( 0.000 0.000 0.000) 0.000 26.635 ( 0.000 0.000 0.000) 0.000 26.635 ( 0.000 0.000 0.000) 0.000 26.965 ( 0.000 0.000 0.000) 0.000 26.965 ( 0.000 0.000 0.000) 0.000 27.308 ( 0.000 0.000 0.000) 0.000 27.308 ( 0.000 0.000 0.000) 0.000 27.450 ( 0.000 0.000 0.000) 0.000 27.450 ( 0.000 0.000 0.000) 0.000 27.459 ( -0.000 -0.000 0.000) 0.000 27.459 ( 0.000 0.000 0.000) 0.000 27.890 ( -0.000 -0.000 0.000) 0.000 27.890 ( 0.000 0.000 0.000) 0.000 27.949 ( 0.000 0.000 0.000) 0.000 27.949 ( 0.000 0.000 0.000) 0.000 28.664 ( 0.000 0.000 0.000) 0.000 28.664 ( 0.000 0.000 0.000) 0.000 29.268 ( 0.000 0.000 0.000) 0.000 29.268 ( 0.000 0.000 0.000) 0.000 29.638 ( 0.000 0.000 0.000) 0.000 29.638 ( 0.000 0.000 0.000) 0.000 30.072 ( 0.000 0.000 0.000) 0.000 30.072 ( 0.000 0.000 0.000) 0.000 30.240 ( 0.000 0.000 0.000) 0.000 30.240 ( 0.000 0.000 0.000) 0.000 30.469 ( 0.000 0.000 0.000) 0.000 30.469 ( 0.000 0.000 0.000) 0.000 30.494 ( 0.000 0.000 0.000) 0.000 30.494 ( 0.000 0.000 0.000) 0.000 30.766 ( 0.000 0.000 0.000) 0.000 30.766 ( 0.000 0.000 0.000) 0.000 30.952 ( 0.000 0.000 0.000) 0.000 30.952 ( 0.000 0.000 0.000) 0.000 33.401 ( -0.000 -0.000 0.000) 0.000 33.401 ( 0.000 0.000 0.000) 0.000 33.424 ( 0.000 0.000 0.000) 0.000 33.424 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 49 (11/60) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.000 0.000 80.810) 80.810 1.660 ( 0.000 0.000 80.810) 80.810 2.644 ( 0.000 0.000 129.782) 129.782 4.237 ( 0.000 0.000 1.783) 1.783 4.237 ( 0.000 0.000 1.783) 1.783 5.182 ( 0.000 0.000 7.475) 7.475 5.583 ( 0.000 0.000 -3.422) 3.422 6.297 ( 0.000 0.000 3.323) 3.323 6.861 ( 0.000 0.000 8.145) 8.145 7.934 ( 0.000 0.000 21.193) 21.193 8.202 ( 0.000 0.000 24.563) 24.563 8.202 ( 0.000 0.000 24.563) 24.563 9.563 ( 0.000 0.000 -2.430) 2.430 9.563 ( 0.000 0.000 -2.430) 2.430 9.750 ( 0.000 0.000 12.872) 12.872 10.099 ( 0.000 0.000 4.904) 4.904 10.099 ( 0.000 0.000 4.904) 4.904 10.516 ( 0.000 0.000 -29.478) 29.478 11.566 ( 0.000 0.000 -15.036) 15.036 11.566 ( 0.000 0.000 -15.036) 15.036 11.733 ( 0.000 0.000 -13.524) 13.524 11.917 ( 0.000 0.000 -0.062) 0.062 11.917 ( 0.000 0.000 -0.062) 0.062 12.350 ( 0.000 0.000 -4.194) 4.194 12.479 ( 0.000 0.000 -2.336) 2.336 12.697 ( 0.000 0.000 8.823) 8.823 13.435 ( 0.000 0.000 9.018) 9.018 13.436 ( 0.000 0.000 -9.002) 9.002 13.436 ( 0.000 0.000 -9.002) 9.002 13.528 ( 0.000 0.000 2.574) 2.574 13.902 ( 0.000 0.000 1.184) 1.184 14.126 ( 0.000 0.000 -1.233) 1.233 14.126 ( 0.000 0.000 -1.233) 1.233 14.427 ( 0.000 0.000 -28.624) 28.624 15.182 ( 0.000 0.000 -17.073) 17.073 15.182 ( 0.000 0.000 -17.073) 17.073 15.388 ( 0.000 0.000 -26.226) 26.226 15.530 ( 0.000 0.000 0.044) 0.044 15.642 ( 0.000 0.000 6.965) 6.965 15.880 ( 0.000 0.000 -11.362) 11.362 15.880 ( 0.000 0.000 -11.362) 11.362 16.037 ( 0.000 0.000 -16.843) 16.843 16.285 ( 0.000 0.000 -8.709) 8.709 16.426 ( 0.000 0.000 9.705) 9.705 16.426 ( 0.000 0.000 9.705) 9.705 16.588 ( 0.000 0.000 9.686) 9.686 16.783 ( 0.000 0.000 6.799) 6.799 16.783 ( 0.000 0.000 6.799) 6.799 16.909 ( 0.000 0.000 27.504) 27.504 17.004 ( 0.000 0.000 15.160) 15.160 17.314 ( 0.000 0.000 4.012) 4.012 17.331 ( 0.000 0.000 3.511) 3.511 17.331 ( 0.000 0.000 3.511) 3.511 17.622 ( 0.000 0.000 -1.376) 1.376 17.622 ( 0.000 0.000 -1.376) 1.376 17.875 ( 0.000 0.000 6.346) 6.346 17.917 ( 0.000 0.000 4.676) 4.676 17.917 ( 0.000 0.000 4.676) 4.676 17.939 ( 0.000 0.000 10.461) 10.461 17.957 ( 0.000 0.000 6.656) 6.656 18.232 ( 0.000 0.000 8.232) 8.232 18.232 ( 0.000 0.000 8.232) 8.232 18.327 ( 0.000 0.000 4.271) 4.271 18.660 ( 0.000 0.000 1.230) 1.230 18.948 ( 0.000 0.000 4.772) 4.772 18.948 ( 0.000 0.000 4.772) 4.772 19.176 ( 0.000 0.000 17.025) 17.025 19.448 ( 0.000 0.000 -33.191) 33.191 19.465 ( 0.000 0.000 -13.574) 13.574 19.465 ( 0.000 0.000 -13.574) 13.574 19.506 ( 0.000 0.000 4.676) 4.676 20.141 ( 0.000 0.000 3.701) 3.701 20.141 ( 0.000 0.000 3.701) 3.701 20.253 ( 0.000 0.000 -4.916) 4.916 20.366 ( 0.000 0.000 3.295) 3.295 20.524 ( 0.000 0.000 -0.343) 0.343 20.590 ( 0.000 0.000 -2.424) 2.424 20.590 ( 0.000 0.000 -2.424) 2.424 20.620 ( 0.000 0.000 -3.440) 3.440 20.839 ( 0.000 0.000 -3.391) 3.391 21.012 ( 0.000 0.000 -3.374) 3.374 21.012 ( 0.000 0.000 -3.374) 3.374 21.469 ( 0.000 0.000 -31.631) 31.631 21.694 ( 0.000 0.000 -0.099) 0.099 21.832 ( 0.000 0.000 7.535) 7.535 21.832 ( 0.000 0.000 7.535) 7.535 21.912 ( 0.000 0.000 -0.589) 0.589 21.942 ( 0.000 0.000 4.289) 4.289 22.293 ( 0.000 0.000 -1.302) 1.302 22.293 ( 0.000 0.000 -1.302) 1.302 22.588 ( 0.000 0.000 -6.550) 6.550 22.588 ( 0.000 0.000 -6.550) 6.550 22.684 ( 0.000 0.000 -1.041) 1.041 22.914 ( 0.000 0.000 5.891) 5.891 22.914 ( 0.000 0.000 5.891) 5.891 22.992 ( 0.000 0.000 11.355) 11.355 23.051 ( 0.000 0.000 -4.649) 4.649 23.349 ( 0.000 0.000 -1.792) 1.792 23.349 ( 0.000 0.000 -1.792) 1.792 23.361 ( 0.000 0.000 9.035) 9.035 23.383 ( 0.000 0.000 1.263) 1.263 23.405 ( 0.000 0.000 -9.365) 9.365 23.561 ( 0.000 0.000 0.932) 0.932 23.646 ( 0.000 0.000 -9.170) 9.170 23.719 ( 0.000 0.000 -4.247) 4.247 23.719 ( 0.000 0.000 -4.247) 4.247 23.909 ( 0.000 0.000 11.707) 11.707 23.947 ( 0.000 0.000 0.141) 0.141 23.947 ( 0.000 0.000 0.141) 0.141 24.109 ( 0.000 0.000 3.353) 3.353 24.282 ( 0.000 0.000 -10.895) 10.895 24.660 ( 0.000 0.000 -2.213) 2.213 24.660 ( 0.000 0.000 -2.213) 2.213 24.708 ( 0.000 0.000 -0.209) 0.209 24.888 ( 0.000 0.000 17.674) 17.674 25.103 ( 0.000 0.000 -3.271) 3.271 25.162 ( 0.000 0.000 4.879) 4.879 25.162 ( 0.000 0.000 4.879) 4.879 25.311 ( 0.000 0.000 -2.700) 2.700 25.458 ( 0.000 0.000 -0.517) 0.517 25.946 ( 0.000 0.000 -9.377) 9.377 26.229 ( 0.000 0.000 0.241) 0.241 26.267 ( 0.000 0.000 6.013) 6.013 26.272 ( 0.000 0.000 -2.027) 2.027 26.272 ( 0.000 0.000 -2.027) 2.027 26.485 ( 0.000 0.000 0.351) 0.351 26.485 ( 0.000 0.000 0.351) 0.351 26.645 ( 0.000 0.000 3.725) 3.725 26.711 ( 0.000 0.000 -0.958) 0.958 26.890 ( 0.000 0.000 1.771) 1.771 26.890 ( 0.000 0.000 1.771) 1.771 27.359 ( 0.000 0.000 0.063) 0.063 27.437 ( 0.000 0.000 -0.782) 0.782 27.450 ( 0.000 0.000 -0.697) 0.697 27.450 ( 0.000 0.000 -0.697) 0.697 27.625 ( 0.000 0.000 0.091) 0.091 28.019 ( 0.000 0.000 4.273) 4.273 28.094 ( 0.000 0.000 -0.629) 0.629 28.463 ( 0.000 0.000 1.735) 1.735 28.463 ( 0.000 0.000 1.735) 1.735 28.684 ( 0.000 0.000 0.107) 0.107 28.684 ( 0.000 0.000 0.107) 0.107 28.785 ( 0.000 0.000 5.909) 5.909 28.848 ( 0.000 0.000 1.692) 1.692 29.686 ( 0.000 0.000 0.689) 0.689 29.686 ( 0.000 0.000 0.689) 0.689 29.741 ( 0.000 0.000 0.690) 0.690 30.059 ( 0.000 0.000 -3.000) 3.000 30.196 ( 0.000 0.000 1.276) 1.276 30.388 ( 0.000 0.000 -1.966) 1.966 30.388 ( 0.000 0.000 -1.966) 1.966 30.516 ( 0.000 0.000 0.552) 0.552 30.516 ( 0.000 0.000 0.552) 0.552 30.552 ( 0.000 0.000 -1.286) 1.286 30.746 ( 0.000 0.000 -2.208) 2.208 30.746 ( 0.000 0.000 -2.208) 2.208 30.836 ( 0.000 0.000 -3.121) 3.121 30.987 ( 0.000 0.000 -6.026) 6.026 33.328 ( 0.000 0.000 4.597) 4.597 33.448 ( 0.000 0.000 2.806) 2.806 33.448 ( 0.000 0.000 2.806) 2.806 33.555 ( 0.000 0.000 2.468) 2.468 ======================= Grid point 50 (12/60) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 54.015 0.000 55.842) 77.691 2.400 ( 56.878 0.000 60.653) 83.150 3.454 ( 74.520 0.000 74.696) 105.512 4.249 ( 1.224 0.000 3.072) 3.307 4.415 ( 16.583 0.000 6.222) 17.712 5.194 ( 3.149 0.000 12.463) 12.855 5.616 ( 3.440 0.000 -3.177) 4.683 6.215 ( -8.882 0.000 4.406) 9.914 6.647 ( -9.020 0.000 19.923) 21.870 7.755 ( -17.454 0.000 15.153) 23.114 7.909 ( -29.125 0.000 24.987) 38.374 8.419 ( 15.175 0.000 25.456) 29.636 9.385 ( -14.284 0.000 11.909) 18.597 9.412 ( -13.124 0.000 -3.158) 13.498 9.711 ( 13.554 0.000 1.494) 13.636 10.036 ( -7.649 0.000 5.092) 9.189 10.425 ( 20.578 0.000 6.036) 21.445 10.664 ( 7.447 0.000 -26.502) 27.528 11.291 ( -23.334 0.000 -8.105) 24.701 11.587 ( -10.184 0.000 -7.024) 12.371 11.597 ( 0.963 0.000 -16.101) 16.130 11.889 ( -3.947 0.000 -4.934) 6.318 11.965 ( -11.904 0.000 -1.985) 12.068 12.428 ( -1.421 0.000 0.817) 1.640 12.498 ( 13.026 0.000 -0.098) 13.026 12.811 ( 10.206 0.000 -1.795) 10.363 13.141 ( -8.038 0.000 4.768) 9.346 13.408 ( -0.092 0.000 -10.852) 10.852 13.507 ( -10.781 0.000 0.100) 10.782 13.668 ( 11.088 0.000 0.688) 11.109 13.846 ( -3.998 0.000 -1.270) 4.195 14.092 ( 1.788 0.000 0.606) 1.888 14.168 ( 3.469 0.000 -4.712) 5.851 14.441 ( 1.558 0.000 -23.824) 23.875 14.949 ( -19.962 0.000 -23.561) 30.881 15.167 ( -2.891 0.000 -14.798) 15.077 15.474 ( -6.695 0.000 -4.590) 8.117 15.503 ( 4.715 0.000 -23.122) 23.598 15.583 ( -2.981 0.000 -3.835) 4.858 15.806 ( -6.165 0.000 -2.891) 6.809 15.838 ( -0.230 0.000 -8.704) 8.707 16.174 ( 5.978 0.000 -0.533) 6.001 16.175 ( -7.150 0.000 -5.534) 9.042 16.376 ( 4.058 0.000 -0.046) 4.058 16.485 ( 2.616 0.000 4.345) 5.072 16.676 ( -8.992 0.000 7.238) 11.543 16.734 ( 10.619 0.000 5.989) 12.192 16.808 ( 3.889 0.000 5.601) 6.818 16.879 ( -3.302 0.000 23.397) 23.628 17.107 ( 7.769 0.000 13.795) 15.832 17.312 ( -0.738 0.000 5.592) 5.640 17.379 ( 3.260 0.000 4.580) 5.622 17.400 ( 5.631 0.000 5.818) 8.097 17.560 ( -3.417 0.000 3.251) 4.717 17.620 ( -1.813 0.000 2.342) 2.962 17.808 ( -4.003 0.000 -2.221) 4.578 17.820 ( -5.253 0.000 5.857) 7.867 17.960 ( 4.175 0.000 5.117) 6.604 18.007 ( 4.418 0.000 2.817) 5.240 18.076 ( 5.397 0.000 5.108) 7.431 18.213 ( -3.446 0.000 6.818) 7.640 18.315 ( 7.160 0.000 9.928) 12.241 18.358 ( 5.303 0.000 7.618) 9.282 18.633 ( -1.259 0.000 1.885) 2.267 18.881 ( -1.237 0.000 3.948) 4.137 18.987 ( -6.989 0.000 -5.396) 8.830 19.132 ( -11.746 0.000 -6.449) 13.400 19.199 ( -10.575 0.000 2.596) 10.889 19.364 ( 9.196 0.000 7.428) 11.822 19.502 ( -7.716 0.000 -18.901) 20.415 19.700 ( -25.355 0.000 1.394) 25.393 19.774 ( 14.259 0.000 -6.259) 15.572 20.139 ( -23.119 0.000 -5.744) 23.822 20.191 ( 6.648 0.000 3.013) 7.299 20.279 ( -11.306 0.000 4.514) 12.174 20.483 ( 0.216 0.000 3.317) 3.324 20.548 ( 5.793 0.000 -1.473) 5.977 20.667 ( 10.757 0.000 -4.821) 11.788 20.870 ( 13.363 0.000 -6.068) 14.677 20.898 ( 12.228 0.000 -3.085) 12.611 20.984 ( -0.904 0.000 -5.599) 5.672 21.352 ( 9.211 0.000 -0.958) 9.261 21.529 ( 5.269 0.000 -25.957) 26.486 21.652 ( 3.885 0.000 -2.106) 4.419 21.849 ( 2.312 0.000 5.446) 5.916 21.863 ( 7.881 0.000 0.096) 7.881 21.977 ( 3.793 0.000 3.524) 5.177 22.066 ( 9.221 0.000 0.845) 9.260 22.275 ( -0.139 0.000 -0.605) 0.621 22.321 ( 2.142 0.000 -1.467) 2.597 22.558 ( -2.567 0.000 -6.900) 7.362 22.569 ( -1.453 0.000 -3.648) 3.927 22.732 ( -2.227 0.000 1.306) 2.581 22.867 ( -3.392 0.000 4.225) 5.418 22.869 ( 2.610 0.000 5.492) 6.081 23.046 ( 1.785 0.000 2.391) 2.984 23.103 ( 3.542 0.000 -3.371) 4.890 23.298 ( -3.178 0.000 -0.232) 3.186 23.335 ( -0.218 0.000 -0.438) 0.489 23.375 ( 0.422 0.000 7.752) 7.763 23.397 ( -1.289 0.000 -6.329) 6.459 23.416 ( 1.582 0.000 -0.149) 1.589 23.563 ( 0.383 0.000 1.360) 1.413 23.602 ( -3.582 0.000 -7.289) 8.122 23.682 ( -3.736 0.000 -2.908) 4.735 23.706 ( -1.800 0.000 -3.015) 3.511 23.849 ( -2.412 0.000 5.470) 5.978 23.895 ( -4.501 0.000 0.913) 4.593 24.006 ( 2.723 0.000 4.136) 4.952 24.153 ( 3.716 0.000 1.874) 4.162 24.314 ( 3.002 0.000 -7.164) 7.768 24.611 ( -4.981 0.000 -0.889) 5.060 24.647 ( -2.109 0.000 -0.793) 2.253 24.687 ( -2.289 0.000 0.138) 2.293 24.854 ( -1.927 0.000 11.458) 11.619 25.024 ( -6.296 0.000 -0.397) 6.309 25.197 ( 2.842 0.000 1.626) 3.274 25.200 ( 2.832 0.000 4.911) 5.669 25.312 ( 2.037 0.000 0.319) 2.062 25.534 ( 7.026 0.000 -0.729) 7.063 25.974 ( 2.653 0.000 -8.664) 9.061 26.076 ( -10.906 0.000 0.315) 10.910 26.223 ( -1.891 0.000 2.424) 3.074 26.300 ( -2.062 0.000 -0.056) 2.063 26.348 ( 4.673 0.000 1.036) 4.786 26.522 ( 3.391 0.000 0.853) 3.496 26.528 ( 4.835 0.000 -1.244) 4.993 26.615 ( -1.523 0.000 2.182) 2.661 26.692 ( -2.383 0.000 -1.160) 2.650 26.894 ( 0.025 0.000 1.760) 1.760 26.968 ( 6.318 0.000 1.152) 6.422 27.326 ( -5.443 0.000 0.021) 5.443 27.332 ( -2.975 0.000 -1.177) 3.199 27.440 ( -1.012 0.000 -0.317) 1.060 27.523 ( 2.338 0.000 -0.736) 2.451 27.638 ( 1.401 0.000 1.403) 1.983 28.000 ( -1.925 0.000 3.253) 3.780 28.016 ( -7.569 0.000 -0.598) 7.592 28.445 ( -2.471 0.000 1.339) 2.811 28.499 ( -5.676 0.000 2.592) 6.240 28.514 ( 0.080 0.000 2.061) 2.062 28.714 ( 0.485 0.000 -1.682) 1.751 28.935 ( 8.024 0.000 0.205) 8.027 28.985 ( 12.223 0.000 2.541) 12.484 29.587 ( -6.328 0.000 1.091) 6.421 29.660 ( -2.802 0.000 0.636) 2.873 29.841 ( 6.423 0.000 0.218) 6.426 30.072 ( 1.107 0.000 -2.773) 2.986 30.186 ( 0.164 0.000 1.859) 1.867 30.373 ( -1.600 0.000 -1.778) 2.392 30.406 ( 0.819 0.000 -2.547) 2.676 30.511 ( -0.669 0.000 0.468) 0.816 30.522 ( 0.438 0.000 0.174) 0.471 30.550 ( -0.229 0.000 -1.321) 1.341 30.737 ( -0.795 0.000 -2.435) 2.562 30.764 ( -0.031 0.000 -4.059) 4.059 30.860 ( 2.480 0.000 -3.555) 4.335 30.983 ( -0.501 0.000 -5.619) 5.641 33.334 ( 0.707 0.000 4.452) 4.508 33.438 ( -0.968 0.000 2.911) 3.068 33.456 ( 0.865 0.000 2.787) 2.918 33.549 ( -0.646 0.000 2.481) 2.564 ======================= Grid point 51 (13/60) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( 53.216 0.000 25.803) 59.142 3.439 ( 48.842 0.000 35.316) 60.273 4.281 ( 2.366 0.000 9.765) 10.047 4.307 ( 12.212 0.000 -4.768) 13.110 5.014 ( 20.091 0.000 22.425) 30.109 5.635 ( 60.623 0.000 42.516) 74.046 5.680 ( -1.478 0.000 -0.140) 1.485 5.993 ( -9.786 0.000 7.810) 12.520 6.640 ( 4.099 0.000 17.381) 17.858 7.258 ( -36.147 0.000 26.195) 44.641 7.345 ( -13.101 0.000 11.646) 17.529 8.665 ( 13.070 0.000 17.538) 21.873 9.113 ( -20.824 0.000 -1.887) 20.909 9.434 ( 16.509 0.000 5.522) 17.408 9.625 ( -43.432 0.000 12.252) 45.127 10.122 ( 28.631 0.000 9.010) 30.016 10.465 ( -29.211 0.000 -12.412) 31.739 10.781 ( 19.004 0.000 5.716) 19.845 10.891 ( -18.367 0.000 -4.977) 19.030 11.354 ( -10.447 0.000 -8.426) 13.422 11.556 ( -4.577 0.000 -11.409) 12.293 11.624 ( -8.847 0.000 12.062) 14.959 11.863 ( 1.763 0.000 -6.216) 6.462 12.458 ( -19.374 0.000 2.105) 19.488 12.720 ( 10.417 0.000 3.834) 11.100 12.902 ( 10.461 0.000 -5.293) 11.724 13.085 ( -1.940 0.000 -8.956) 9.163 13.356 ( 6.913 0.000 -3.130) 7.589 13.423 ( -0.396 0.000 -13.332) 13.338 13.888 ( 9.965 0.000 -2.124) 10.189 13.922 ( 11.048 0.000 2.004) 11.228 14.146 ( -11.271 0.000 -16.980) 20.380 14.186 ( 6.114 0.000 -7.126) 9.389 14.454 ( -2.379 0.000 -16.920) 17.086 14.611 ( -7.181 0.000 -13.902) 15.647 15.007 ( -14.046 0.000 -9.906) 17.188 15.336 ( -6.578 0.000 -5.028) 8.280 15.403 ( -11.723 0.000 -13.236) 17.681 15.571 ( 1.539 0.000 -20.282) 20.340 15.736 ( -4.318 0.000 -9.137) 10.106 15.911 ( 7.090 0.000 4.621) 8.463 16.115 ( 1.107 0.000 0.862) 1.404 16.200 ( 2.287 0.000 6.204) 6.612 16.474 ( -4.531 0.000 6.367) 7.815 16.513 ( -5.854 0.000 4.749) 7.538 16.595 ( 10.452 0.000 -5.072) 11.617 16.840 ( 2.689 0.000 2.990) 4.021 16.847 ( 1.011 0.000 14.179) 14.215 17.030 ( 16.552 0.000 3.287) 16.875 17.196 ( 2.813 0.000 3.729) 4.671 17.274 ( -2.716 0.000 5.436) 6.077 17.412 ( 0.179 0.000 4.075) 4.079 17.508 ( -0.636 0.000 2.547) 2.625 17.540 ( -1.127 0.000 3.819) 3.982 17.570 ( 4.955 0.000 13.078) 13.985 17.716 ( -3.873 0.000 6.695) 7.735 17.731 ( -2.988 0.000 -2.704) 4.030 18.021 ( -4.998 0.000 -1.655) 5.265 18.090 ( 5.160 0.000 2.585) 5.771 18.142 ( -2.561 0.000 6.644) 7.121 18.174 ( 3.619 0.000 3.589) 5.097 18.422 ( 8.933 0.000 7.225) 11.490 18.477 ( -1.952 0.000 2.795) 3.409 18.558 ( -16.402 0.000 -2.853) 16.648 18.634 ( 0.545 0.000 6.033) 6.057 18.886 ( 1.379 0.000 -2.771) 3.095 19.073 ( -16.270 0.000 6.053) 17.359 19.149 ( 4.892 0.000 4.266) 6.490 19.227 ( -9.637 0.000 3.220) 10.160 19.400 ( -6.984 0.000 -7.890) 10.537 19.448 ( 0.580 0.000 3.490) 3.538 19.675 ( -22.916 0.000 -3.009) 23.112 19.992 ( 8.377 0.000 -10.006) 13.050 20.154 ( -3.984 0.000 -7.365) 8.373 20.384 ( 12.111 0.000 4.021) 12.761 20.612 ( 10.984 0.000 8.776) 14.059 20.619 ( 1.506 0.000 0.620) 1.628 20.808 ( 3.908 0.000 -7.613) 8.558 20.928 ( 0.676 0.000 -10.889) 10.910 21.055 ( -1.449 0.000 3.862) 4.125 21.170 ( 14.511 0.000 -1.123) 14.555 21.325 ( 1.657 0.000 -1.618) 2.316 21.606 ( 2.377 0.000 -17.314) 17.477 21.810 ( 3.215 0.000 -9.327) 9.865 21.926 ( 4.774 0.000 -0.462) 4.797 21.990 ( 0.881 0.000 -3.125) 3.247 22.100 ( 9.788 0.000 1.207) 9.862 22.233 ( 6.607 0.000 0.288) 6.613 22.328 ( -1.538 0.000 -2.249) 2.724 22.343 ( 8.000 0.000 -3.286) 8.649 22.533 ( 0.057 0.000 -6.729) 6.729 22.548 ( -2.610 0.000 -0.046) 2.610 22.628 ( -0.038 0.000 1.572) 1.572 22.811 ( -2.547 0.000 3.185) 4.079 22.910 ( -2.817 0.000 3.461) 4.462 23.111 ( 7.100 0.000 -2.654) 7.579 23.123 ( -3.365 0.000 -2.899) 4.441 23.244 ( -2.107 0.000 -1.347) 2.501 23.326 ( -2.243 0.000 -5.173) 5.639 23.355 ( -3.845 0.000 2.358) 4.510 23.397 ( 2.691 0.000 3.545) 4.451 23.416 ( -0.098 0.000 0.159) 0.187 23.557 ( -0.873 0.000 -1.246) 1.521 23.559 ( -1.788 0.000 -0.485) 1.853 23.622 ( -1.188 0.000 0.949) 1.520 23.665 ( -1.999 0.000 1.177) 2.320 23.811 ( -3.715 0.000 0.997) 3.846 23.819 ( -1.590 0.000 3.888) 4.201 24.069 ( 5.272 0.000 4.311) 6.810 24.219 ( 2.597 0.000 0.829) 2.726 24.368 ( 2.130 0.000 -2.156) 3.031 24.489 ( -7.438 0.000 1.171) 7.530 24.588 ( -2.982 0.000 2.421) 3.841 24.628 ( -3.628 0.000 0.947) 3.750 24.839 ( -0.039 0.000 3.062) 3.062 24.914 ( -4.880 0.000 0.753) 4.938 25.249 ( 2.438 0.000 1.127) 2.686 25.252 ( 2.570 0.000 0.388) 2.599 25.406 ( 7.751 0.000 3.528) 8.516 25.688 ( 8.390 0.000 -1.598) 8.541 25.853 ( -11.775 0.000 1.952) 11.936 26.009 ( -0.832 0.000 -5.540) 5.602 26.185 ( -1.715 0.000 1.284) 2.142 26.243 ( -3.070 0.000 0.510) 3.112 26.432 ( 4.203 0.000 0.746) 4.268 26.572 ( 2.260 0.000 -0.031) 2.260 26.595 ( -1.226 0.000 -2.483) 2.769 26.639 ( -0.819 0.000 -0.463) 0.941 26.663 ( 6.562 0.000 1.704) 6.780 26.873 ( -2.567 0.000 1.368) 2.909 27.069 ( 3.604 0.000 -1.458) 3.888 27.245 ( -6.028 0.000 -3.000) 6.733 27.299 ( 3.637 0.000 1.875) 4.092 27.421 ( -0.661 0.000 0.392) 0.769 27.536 ( -0.435 0.000 0.540) 0.694 27.654 ( -1.613 0.000 4.185) 4.485 27.866 ( -5.629 0.000 -0.963) 5.711 27.946 ( -3.821 0.000 1.510) 4.109 28.378 ( -3.643 0.000 2.648) 4.504 28.391 ( -2.752 0.000 1.908) 3.349 28.591 ( 4.112 0.000 1.732) 4.462 28.699 ( -1.636 0.000 0.334) 1.669 29.091 ( 8.012 0.000 -0.100) 8.013 29.181 ( 7.803 0.000 0.910) 7.856 29.480 ( -4.295 0.000 1.592) 4.581 29.585 ( -5.142 0.000 0.822) 5.208 29.957 ( 5.788 0.000 -0.348) 5.798 30.084 ( -0.338 0.000 -1.994) 2.023 30.212 ( 2.482 0.000 0.641) 2.563 30.330 ( -2.891 0.000 -1.312) 3.175 30.418 ( 0.759 0.000 -1.428) 1.617 30.486 ( -2.017 0.000 0.127) 2.021 30.532 ( 0.561 0.000 -0.492) 0.746 30.545 ( -0.202 0.000 -1.322) 1.337 30.725 ( -0.311 0.000 -2.727) 2.745 30.747 ( -1.229 0.000 -3.280) 3.502 30.906 ( 2.218 0.000 -3.807) 4.406 30.968 ( -1.098 0.000 -4.781) 4.905 33.354 ( 1.333 0.000 4.083) 4.295 33.414 ( -1.585 0.000 3.206) 3.577 33.478 ( 1.408 0.000 2.723) 3.066 33.531 ( -1.195 0.000 2.532) 2.800 ======================= Grid point 52 (14/60) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( -0.499 0.000 0.289) 0.577 3.926 ( 0.499 0.000 0.289) 0.577 4.370 ( -5.666 0.000 22.576) 23.276 4.370 ( 5.666 0.000 22.576) 23.276 5.329 ( -23.006 0.000 13.541) 26.696 5.329 ( 23.006 0.000 13.541) 26.696 6.139 ( -13.240 0.000 10.460) 16.873 6.139 ( 13.240 0.000 10.460) 16.873 6.699 ( -19.156 0.000 28.115) 34.021 6.699 ( 19.156 0.000 28.115) 34.021 8.144 ( -77.979 0.000 14.295) 79.279 8.144 ( 77.979 0.000 14.295) 79.279 8.955 ( -10.924 0.000 10.539) 15.179 8.955 ( 10.924 0.000 10.539) 15.179 9.874 ( -25.283 0.000 -1.763) 25.345 9.874 ( 25.283 0.000 -1.763) 25.345 10.593 ( -17.953 0.000 2.904) 18.187 10.593 ( 17.953 0.000 2.904) 18.187 11.176 ( -12.264 0.000 3.558) 12.770 11.176 ( 12.264 0.000 3.558) 12.770 11.503 ( -0.644 0.000 1.175) 1.340 11.503 ( 0.644 0.000 1.175) 1.340 11.989 ( -7.678 0.000 -4.568) 8.934 11.989 ( 7.678 0.000 -4.568) 8.934 12.903 ( -7.696 0.000 3.208) 8.338 12.903 ( 7.696 0.000 3.208) 8.338 13.298 ( -13.586 0.000 -11.022) 17.495 13.298 ( 13.586 0.000 -11.022) 17.495 13.670 ( -23.131 0.000 -20.772) 31.089 13.670 ( 23.131 0.000 -20.772) 31.089 14.072 ( -0.023 0.000 -1.014) 1.014 14.072 ( 0.023 0.000 -1.014) 1.014 14.330 ( -6.972 0.000 -13.726) 15.395 14.330 ( 6.972 0.000 -13.726) 15.395 14.721 ( -13.557 0.000 -6.761) 15.149 14.721 ( 13.557 0.000 -6.761) 15.149 15.266 ( -0.058 0.000 -4.774) 4.774 15.266 ( 0.058 0.000 -4.774) 4.774 15.633 ( -1.028 0.000 -19.257) 19.284 15.633 ( 1.028 0.000 -19.257) 19.284 16.067 ( -7.762 0.000 5.254) 9.373 16.067 ( 7.762 0.000 5.254) 9.373 16.305 ( -6.171 0.000 6.437) 8.917 16.305 ( 6.171 0.000 6.437) 8.917 16.588 ( -8.121 0.000 2.014) 8.367 16.588 ( 8.121 0.000 2.014) 8.367 16.874 ( -0.002 0.000 7.755) 7.755 16.874 ( 0.002 0.000 7.755) 7.755 17.214 ( -1.727 0.000 1.034) 2.013 17.214 ( 1.727 0.000 1.034) 2.013 17.354 ( -7.847 0.000 0.702) 7.878 17.354 ( 7.847 0.000 0.702) 7.878 17.489 ( -1.703 0.000 4.081) 4.422 17.489 ( 1.703 0.000 4.081) 4.422 17.689 ( -0.384 0.000 5.951) 5.964 17.689 ( 0.384 0.000 5.951) 5.964 17.803 ( -11.886 0.000 -2.376) 12.121 17.803 ( 11.886 0.000 -2.376) 12.121 18.141 ( -0.061 0.000 5.044) 5.045 18.141 ( 0.061 0.000 5.044) 5.045 18.191 ( -5.233 0.000 2.697) 5.887 18.191 ( 5.233 0.000 2.697) 5.887 18.608 ( -0.033 0.000 7.631) 7.631 18.608 ( 0.033 0.000 7.631) 7.631 18.726 ( -12.745 0.000 7.092) 14.586 18.726 ( 12.745 0.000 7.092) 14.586 19.009 ( -11.473 0.000 -3.003) 11.859 19.009 ( 11.473 0.000 -3.003) 11.859 19.289 ( -9.968 0.000 1.085) 10.027 19.289 ( 9.968 0.000 1.085) 10.027 19.442 ( -0.014 0.000 0.981) 0.981 19.442 ( 0.014 0.000 0.981) 0.981 20.093 ( -0.703 0.000 -11.612) 11.633 20.093 ( 0.703 0.000 -11.612) 11.633 20.581 ( -4.041 0.000 2.609) 4.810 20.581 ( 4.041 0.000 2.609) 4.810 20.773 ( -4.569 0.000 0.562) 4.603 20.773 ( 4.569 0.000 0.562) 4.603 20.973 ( -0.453 0.000 -2.823) 2.859 20.973 ( 0.453 0.000 -2.823) 2.859 21.378 ( -0.460 0.000 1.832) 1.889 21.378 ( 0.460 0.000 1.832) 1.889 21.697 ( -9.979 0.000 -14.221) 17.373 21.697 ( 9.979 0.000 -14.221) 17.373 21.983 ( -1.036 0.000 -3.024) 3.197 21.983 ( 1.036 0.000 -3.024) 3.197 22.237 ( -1.831 0.000 0.125) 1.836 22.237 ( 1.831 0.000 0.125) 1.836 22.378 ( -8.858 0.000 -0.665) 8.883 22.378 ( 8.858 0.000 -0.665) 8.883 22.509 ( -1.288 0.000 -7.833) 7.939 22.509 ( 1.288 0.000 -7.833) 7.939 22.770 ( -3.671 0.000 0.770) 3.751 22.770 ( 3.671 0.000 0.770) 3.751 22.943 ( -10.253 0.000 0.957) 10.297 22.943 ( 10.253 0.000 0.957) 10.297 23.214 ( -2.123 0.000 -2.247) 3.091 23.214 ( 2.123 0.000 -2.247) 3.091 23.295 ( -0.081 0.000 -0.791) 0.795 23.295 ( 0.081 0.000 -0.791) 0.795 23.437 ( -0.095 0.000 1.462) 1.465 23.437 ( 0.095 0.000 1.462) 1.465 23.536 ( -1.034 0.000 -0.524) 1.159 23.536 ( 1.034 0.000 -0.524) 1.159 23.631 ( -0.700 0.000 2.784) 2.870 23.631 ( 0.700 0.000 2.784) 2.870 23.787 ( -0.166 0.000 2.701) 2.706 23.787 ( 0.166 0.000 2.701) 2.706 24.195 ( -3.451 0.000 3.440) 4.873 24.195 ( 3.451 0.000 3.440) 4.873 24.392 ( -1.456 0.000 -0.204) 1.470 24.392 ( 1.456 0.000 -0.204) 1.470 24.573 ( -0.768 0.000 2.142) 2.276 24.573 ( 0.768 0.000 2.142) 2.276 24.852 ( -0.709 0.000 1.367) 1.540 24.852 ( 0.709 0.000 1.367) 1.540 25.277 ( -0.004 0.000 0.033) 0.034 25.277 ( 0.004 0.000 0.033) 0.034 25.593 ( -11.755 0.000 2.040) 11.930 25.593 ( 11.755 0.000 2.040) 11.930 25.898 ( -7.254 0.000 -0.927) 7.313 25.898 ( 7.254 0.000 -0.927) 7.313 26.194 ( -0.993 0.000 -0.284) 1.033 26.194 ( 0.993 0.000 -0.284) 1.033 26.514 ( -3.556 0.000 -0.418) 3.581 26.514 ( 3.556 0.000 -0.418) 3.581 26.625 ( -2.432 0.000 -0.933) 2.605 26.625 ( 2.432 0.000 -0.933) 2.605 26.793 ( -4.971 0.000 1.348) 5.151 26.793 ( 4.971 0.000 1.348) 5.151 27.136 ( -4.509 0.000 -3.266) 5.568 27.136 ( 4.509 0.000 -3.266) 5.568 27.398 ( -3.487 0.000 0.959) 3.617 27.398 ( 3.487 0.000 0.959) 3.617 27.557 ( -4.747 0.000 3.672) 6.002 27.557 ( 4.747 0.000 3.672) 6.002 27.869 ( -3.689 0.000 0.136) 3.692 27.869 ( 3.689 0.000 0.136) 3.692 28.355 ( -0.095 0.000 2.167) 2.169 28.355 ( 0.095 0.000 2.167) 2.169 28.657 ( -1.959 0.000 1.397) 2.406 28.657 ( 1.959 0.000 1.397) 2.406 29.215 ( -4.026 0.000 -0.041) 4.026 29.215 ( 4.026 0.000 -0.041) 4.026 29.483 ( -4.223 0.000 1.565) 4.504 29.483 ( 4.223 0.000 1.565) 4.504 30.047 ( -3.207 0.000 -1.045) 3.373 30.047 ( 3.207 0.000 -1.045) 3.373 30.270 ( -3.409 0.000 -0.571) 3.456 30.270 ( 3.409 0.000 -0.571) 3.456 30.444 ( -2.034 0.000 -0.524) 2.100 30.444 ( 2.034 0.000 -0.524) 2.100 30.541 ( -0.168 0.000 -1.047) 1.061 30.541 ( 0.168 0.000 -1.047) 1.061 30.728 ( -0.136 0.000 -2.892) 2.895 30.728 ( 0.136 0.000 -2.892) 2.895 30.942 ( -1.662 0.000 -4.084) 4.410 30.942 ( 1.662 0.000 -4.084) 4.410 33.382 ( -1.664 0.000 3.626) 3.990 33.382 ( 1.664 0.000 3.626) 3.990 33.506 ( -1.460 0.000 2.625) 3.003 33.506 ( 1.460 0.000 2.625) 3.003 ======================= Grid point 57 (15/60) ======================= q-point: ( 0.17 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 43.716 43.716 43.790) 75.761 2.828 ( 40.795 40.795 51.222) 77.149 3.877 ( 34.365 34.365 24.705) 54.518 4.352 ( 1.449 1.449 -2.710) 3.397 4.587 ( 29.446 29.446 36.399) 55.308 5.240 ( 6.351 6.351 15.909) 18.269 5.705 ( 11.450 11.450 0.095) 16.194 6.143 ( -7.589 -7.589 5.483) 12.052 6.606 ( -0.884 -0.884 17.935) 17.979 7.679 ( -8.865 -8.865 10.951) 16.647 7.937 ( -11.462 -11.462 21.926) 27.268 8.328 ( 0.007 0.007 30.190) 30.190 8.919 ( -23.275 -23.275 10.821) 34.649 9.389 ( -10.381 -10.381 -3.832) 15.172 9.759 ( 8.675 8.675 5.634) 13.500 10.257 ( 7.964 7.964 1.434) 11.354 10.504 ( 11.536 11.536 8.869) 18.569 10.743 ( -3.344 -3.344 -21.785) 22.292 11.039 ( -14.674 -14.674 -7.356) 22.017 11.534 ( -4.925 -4.925 -4.574) 8.333 11.705 ( 4.417 4.417 -15.639) 16.840 11.754 ( -9.552 -9.552 -5.117) 14.445 12.120 ( 2.230 2.230 -7.554) 8.186 12.347 ( -1.908 -1.908 3.363) 4.312 12.571 ( 3.101 3.101 5.430) 6.979 12.885 ( -0.882 -0.882 -0.032) 1.247 13.031 ( 3.633 3.633 2.038) 5.527 13.365 ( -3.597 -3.597 -9.058) 10.389 13.433 ( -4.211 -4.211 -2.441) 6.437 13.730 ( 2.127 2.127 2.221) 3.740 13.873 ( 0.965 0.965 -2.946) 3.247 14.090 ( -0.561 -0.561 -2.629) 2.746 14.097 ( -1.185 -1.185 -0.635) 1.792 14.458 ( 1.576 1.576 -21.587) 21.702 14.848 ( -12.760 -12.760 -24.026) 30.048 15.057 ( -8.366 -8.366 -17.609) 21.214 15.384 ( -7.777 -7.777 -16.059) 19.464 15.424 ( -5.465 -5.465 -2.873) 8.245 15.604 ( -4.481 -4.481 -13.999) 15.367 15.779 ( 4.502 4.502 -1.917) 6.649 15.897 ( -3.540 -3.540 -6.988) 8.596 16.030 ( -2.300 -2.300 1.944) 3.789 16.276 ( 1.606 1.606 -8.053) 8.367 16.358 ( -2.499 -2.499 13.049) 13.519 16.486 ( 4.344 4.344 -8.774) 10.711 16.656 ( -2.944 -2.944 9.149) 10.052 16.751 ( 1.437 1.437 8.749) 8.982 16.849 ( 3.325 3.325 13.075) 13.895 16.938 ( 5.137 5.137 9.647) 12.077 17.037 ( -1.313 -1.313 7.804) 8.021 17.334 ( -7.442 -7.442 4.532) 11.459 17.407 ( 1.998 1.998 5.663) 6.329 17.437 ( 2.666 2.666 1.988) 4.263 17.482 ( 6.325 6.325 8.817) 12.560 17.714 ( -2.469 -2.469 4.278) 5.522 17.757 ( 1.425 1.425 0.743) 2.148 17.898 ( -1.020 -1.020 0.986) 1.748 17.941 ( 2.885 2.885 2.377) 4.722 18.030 ( 2.055 2.055 3.295) 4.394 18.133 ( 3.479 3.479 5.969) 7.736 18.190 ( -0.887 -0.887 5.945) 6.076 18.283 ( 3.015 3.015 8.754) 9.738 18.464 ( 6.295 6.295 7.444) 11.605 18.594 ( -10.611 -10.611 -5.766) 16.076 18.818 ( -6.770 -6.770 -1.581) 9.704 18.863 ( -0.957 -0.957 2.045) 2.452 19.106 ( 4.953 4.953 6.989) 9.896 19.326 ( -7.772 -7.772 -17.177) 20.392 19.349 ( 0.458 0.458 0.412) 0.768 19.502 ( -1.619 -1.619 2.151) 3.141 19.641 ( -2.437 -2.437 -5.195) 6.234 19.827 ( -1.911 -1.911 -0.643) 2.778 19.952 ( -6.376 -6.376 4.115) 9.911 20.003 ( -8.856 -8.856 -0.326) 12.529 20.326 ( -1.714 -1.714 9.483) 9.788 20.433 ( -2.047 -2.047 3.758) 4.744 20.652 ( 4.316 4.316 -3.963) 7.277 20.730 ( 6.256 6.256 0.270) 8.851 20.876 ( 10.708 10.708 -12.549) 19.667 20.923 ( 6.302 6.302 -8.960) 12.638 21.199 ( 2.790 2.790 -1.583) 4.252 21.379 ( 2.886 2.886 -12.343) 13.000 21.611 ( 5.668 5.668 -12.844) 15.140 21.661 ( 5.321 5.321 -5.525) 9.336 21.842 ( 6.741 6.741 -0.175) 9.534 21.994 ( 2.550 2.550 2.647) 4.473 22.003 ( 6.888 6.888 1.958) 9.935 22.139 ( 7.111 7.111 0.911) 10.098 22.276 ( -0.066 -0.066 -2.287) 2.289 22.324 ( 1.230 1.230 -0.333) 1.771 22.521 ( -2.307 -2.307 -3.776) 4.990 22.555 ( -1.514 -1.514 -3.212) 3.860 22.699 ( -6.442 -6.442 5.562) 10.674 22.841 ( 0.894 0.894 -0.113) 1.269 22.940 ( 4.581 4.581 3.396) 7.314 23.038 ( -0.548 -0.548 -0.034) 0.775 23.122 ( 1.361 1.361 -3.973) 4.415 23.272 ( -2.184 -2.184 1.722) 3.536 23.301 ( -2.055 -2.055 -0.083) 2.907 23.362 ( -2.449 -2.449 -6.069) 6.987 23.399 ( 1.021 1.021 3.551) 3.833 23.463 ( 2.582 2.582 1.984) 4.156 23.551 ( -1.371 -1.371 0.789) 2.093 23.578 ( -2.034 -2.034 -4.033) 4.954 23.640 ( -3.007 -3.007 -3.315) 5.392 23.703 ( -1.536 -1.536 0.472) 2.223 23.796 ( -2.590 -2.590 2.851) 4.642 23.915 ( -0.482 -0.482 -0.200) 0.710 24.007 ( 1.055 1.055 5.694) 5.886 24.181 ( 2.396 2.396 2.021) 3.945 24.338 ( 2.170 2.170 -4.474) 5.425 24.558 ( -4.693 -4.693 -0.727) 6.677 24.644 ( -1.614 -1.614 1.892) 2.965 24.671 ( -1.594 -1.594 0.313) 2.276 24.842 ( -0.273 -0.273 5.141) 5.155 25.001 ( -3.172 -3.172 0.086) 4.487 25.164 ( 0.938 0.938 2.619) 2.936 25.273 ( 2.933 2.933 4.278) 5.959 25.305 ( 0.914 0.914 1.349) 1.869 25.589 ( 5.354 5.354 -1.432) 7.705 25.956 ( -4.667 -4.667 -2.894) 7.207 26.034 ( -1.274 -1.274 -3.709) 4.124 26.194 ( -2.245 -2.245 2.264) 3.900 26.306 ( -0.737 -0.737 -0.569) 1.187 26.415 ( 2.207 2.207 -2.644) 4.090 26.435 ( 0.144 0.144 4.546) 4.550 26.575 ( -1.915 -1.915 0.840) 2.836 26.627 ( 4.811 4.811 -1.303) 6.928 26.700 ( -0.027 -0.027 -1.002) 1.003 26.939 ( 1.053 1.053 2.841) 3.207 26.979 ( 3.320 3.320 -0.036) 4.695 27.272 ( -3.394 -3.394 -0.323) 4.810 27.318 ( -1.748 -1.748 -1.435) 2.859 27.432 ( -0.727 -0.727 1.295) 1.653 27.539 ( 0.683 0.683 -1.809) 2.050 27.655 ( 1.590 1.590 2.403) 3.291 27.969 ( -3.791 -3.791 -0.640) 5.400 27.998 ( -1.793 -1.793 2.344) 3.453 28.354 ( -6.465 -6.465 3.062) 9.642 28.446 ( -6.510 -6.510 2.383) 9.510 28.552 ( 2.882 2.882 1.175) 4.241 28.698 ( 0.635 0.635 -0.214) 0.924 28.958 ( 5.211 5.211 2.247) 7.704 29.143 ( 9.911 9.911 -0.887) 14.044 29.521 ( -4.958 -4.958 1.627) 7.198 29.674 ( -0.523 -0.523 0.150) 0.755 29.876 ( 3.733 3.733 0.218) 5.284 30.083 ( 1.031 1.031 -2.567) 2.952 30.187 ( 0.385 0.385 1.540) 1.633 30.362 ( -1.434 -1.434 -1.580) 2.571 30.405 ( 0.137 0.137 -2.122) 2.131 30.508 ( -0.461 -0.461 0.104) 0.660 30.520 ( -0.120 -0.120 0.135) 0.216 30.552 ( -0.109 -0.109 -1.464) 1.472 30.717 ( -1.044 -1.044 -3.098) 3.432 30.783 ( 0.140 0.140 -3.756) 3.761 30.864 ( 1.152 1.152 -3.055) 3.462 30.978 ( -0.566 -0.566 -5.255) 5.316 33.341 ( 0.731 0.731 4.313) 4.435 33.444 ( -0.168 -0.168 2.925) 2.935 33.449 ( 0.076 0.076 2.843) 2.845 33.542 ( -0.672 -0.672 2.504) 2.678 ======================= Grid point 58 (16/60) ======================= q-point: ( 0.33 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( 33.093 15.750 20.212) 41.853 3.686 ( 44.753 28.263 28.927) 60.320 4.287 ( 5.805 1.047 1.428) 6.069 4.414 ( 13.212 11.478 4.120) 17.980 5.110 ( 13.255 7.701 14.637) 21.195 5.514 ( 17.495 1.916 15.430) 23.406 5.889 ( -11.189 -3.334 10.718) 15.849 6.291 ( 34.246 39.720 22.942) 57.244 6.729 ( 18.742 12.861 20.554) 30.645 7.255 ( -26.194 3.342 18.852) 32.445 7.567 ( -17.708 17.417 14.398) 28.709 8.364 ( 7.377 -29.357 17.255) 34.842 8.905 ( 4.173 -18.421 10.602) 21.660 9.188 ( -1.356 -15.425 0.409) 15.490 9.819 ( -20.550 13.444 13.124) 27.844 10.236 ( -24.465 -11.618 -0.749) 27.094 10.359 ( 0.010 7.119 2.296) 7.480 10.749 ( -1.447 -0.325 -2.482) 2.891 10.921 ( 5.202 2.147 -0.862) 5.693 11.402 ( -8.834 -5.482 -5.040) 11.554 11.477 ( -9.062 -0.548 0.815) 9.115 11.753 ( -2.133 12.920 -11.258) 17.269 11.941 ( -7.071 5.707 0.169) 9.089 12.457 ( -11.605 -0.640 1.981) 11.790 12.636 ( 15.398 -5.265 0.544) 16.282 12.904 ( 2.782 -12.707 5.434) 14.098 13.153 ( 1.524 8.713 -10.886) 14.026 13.352 ( 10.600 -0.364 -4.065) 11.359 13.417 ( 2.803 0.347 -11.715) 12.051 13.766 ( 3.834 -2.172 -0.882) 4.494 13.918 ( 3.335 -5.169 0.819) 6.206 14.074 ( -2.800 -3.834 -12.327) 13.209 14.195 ( 4.446 -1.578 -6.862) 8.328 14.399 ( -8.965 -3.339 -19.016) 21.287 14.594 ( -4.495 -1.835 -15.957) 16.679 14.894 ( -11.135 -12.009 -11.841) 20.209 15.205 ( -9.607 -9.656 -11.448) 17.793 15.331 ( -5.366 -7.552 -4.490) 10.295 15.441 ( -9.016 -10.516 -10.407) 17.326 15.819 ( -0.634 0.828 -4.748) 4.861 15.917 ( 3.959 -1.403 -2.885) 5.096 16.001 ( 0.160 -2.120 1.066) 2.378 16.220 ( -1.463 -0.835 1.917) 2.552 16.407 ( 3.204 -5.484 1.199) 6.464 16.504 ( -6.095 1.585 6.618) 9.136 16.603 ( -1.867 -2.191 1.788) 3.389 16.817 ( 3.007 -0.113 7.120) 7.730 16.903 ( 5.160 3.655 6.537) 9.095 17.047 ( 5.532 -2.741 -0.068) 6.174 17.098 ( 8.615 3.739 3.428) 9.997 17.252 ( -0.920 -6.735 1.704) 7.008 17.412 ( -1.670 0.313 2.228) 2.801 17.496 ( 4.328 3.373 4.510) 7.103 17.597 ( 3.515 4.906 7.797) 9.860 17.648 ( -3.406 2.046 4.969) 6.362 17.732 ( -3.792 1.892 3.929) 5.779 17.829 ( -2.102 -0.533 -2.562) 3.356 18.003 ( -1.536 -0.916 6.129) 6.384 18.057 ( 0.065 3.660 1.903) 4.126 18.165 ( 3.778 2.299 5.343) 6.936 18.208 ( -6.081 -1.857 -1.120) 6.456 18.328 ( -3.466 -5.336 -0.905) 6.427 18.436 ( 10.168 -3.520 4.643) 11.719 18.533 ( -0.002 3.362 2.275) 4.059 18.733 ( -3.138 6.161 1.083) 6.999 18.886 ( -0.838 0.760 -1.038) 1.535 19.084 ( -9.291 -6.377 -6.584) 13.051 19.204 ( -0.773 4.998 4.498) 6.768 19.262 ( -10.050 4.892 8.568) 14.084 19.412 ( -7.847 -1.735 2.342) 8.370 19.510 ( -1.224 -0.321 -2.514) 2.815 19.741 ( -6.062 4.788 -1.950) 7.967 19.882 ( -1.632 -6.612 -0.230) 6.814 20.020 ( 2.767 -1.663 4.519) 5.554 20.387 ( 3.679 -0.748 4.044) 5.518 20.501 ( 13.235 -3.753 6.532) 15.229 20.692 ( 2.068 4.845 1.820) 5.573 20.820 ( 0.822 4.894 -11.189) 12.240 21.018 ( -2.020 3.930 -6.331) 7.720 21.121 ( 10.799 -3.094 -4.367) 12.052 21.229 ( 8.746 2.646 -2.114) 9.379 21.394 ( 1.686 12.418 -12.093) 17.415 21.641 ( 1.672 3.565 -14.885) 15.397 21.847 ( 4.159 5.331 -5.423) 8.667 21.968 ( 4.582 4.171 -3.350) 7.043 22.040 ( 0.973 4.898 0.571) 5.026 22.140 ( 7.459 2.588 -1.182) 7.983 22.267 ( 2.483 2.623 0.399) 3.634 22.314 ( 2.425 0.460 -2.940) 3.839 22.365 ( 6.776 2.190 -2.731) 7.627 22.470 ( -5.560 -4.193 -1.194) 7.066 22.561 ( 1.382 -2.181 -2.934) 3.908 22.593 ( 2.818 -1.172 6.352) 7.047 22.823 ( -2.305 0.910 -2.005) 3.188 22.933 ( -4.335 1.396 1.609) 4.830 23.093 ( 0.725 -0.966 -1.323) 1.792 23.136 ( 1.742 -0.298 -2.399) 2.980 23.225 ( -1.868 -1.022 -0.940) 2.327 23.289 ( 0.089 -3.470 0.600) 3.522 23.304 ( -3.331 -2.495 -3.490) 5.432 23.400 ( -1.508 -1.700 -1.208) 2.574 23.457 ( -0.966 2.348 -0.021) 2.539 23.522 ( -2.959 -4.342 -0.990) 5.347 23.547 ( 0.216 0.315 4.068) 4.086 23.616 ( -0.113 -0.491 2.413) 2.465 23.656 ( -2.460 -2.056 2.864) 4.299 23.767 ( -0.760 -0.169 0.145) 0.792 23.884 ( -2.080 3.673 1.563) 4.501 24.062 ( 4.660 -0.749 3.205) 5.705 24.233 ( 3.071 0.912 2.980) 4.375 24.365 ( 0.002 -1.064 -0.419) 1.144 24.462 ( -5.094 -1.695 1.503) 5.575 24.590 ( -2.903 -0.109 2.572) 3.880 24.632 ( -2.439 0.163 1.902) 3.097 24.846 ( -0.021 1.289 -1.501) 1.979 24.936 ( -2.754 1.861 0.320) 3.339 25.200 ( 1.897 -1.333 0.758) 2.439 25.302 ( 1.639 1.247 1.477) 2.534 25.386 ( 6.858 -1.278 5.354) 8.794 25.709 ( 5.309 1.707 -3.095) 6.377 25.799 ( -8.735 -4.706 2.878) 10.331 26.027 ( -1.901 1.081 -3.982) 4.543 26.159 ( -1.258 -2.096 1.410) 2.822 26.250 ( -3.354 0.606 0.571) 3.456 26.418 ( 1.414 -3.046 -1.299) 3.600 26.506 ( 1.841 -3.135 -2.303) 4.304 26.591 ( 3.509 0.449 2.734) 4.471 26.648 ( -1.655 0.290 -0.958) 1.934 26.742 ( 4.022 5.226 -0.571) 6.619 26.902 ( -3.538 2.602 1.118) 4.532 27.064 ( 4.122 0.318 -1.613) 4.437 27.235 ( -3.064 0.354 -1.850) 3.596 27.309 ( 3.892 0.072 0.266) 3.902 27.419 ( -0.427 0.002 1.763) 1.814 27.534 ( -0.878 -0.350 -0.690) 1.170 27.664 ( -2.503 0.519 3.805) 4.584 27.875 ( -3.709 0.899 -1.039) 3.956 27.953 ( -3.096 0.488 1.859) 3.644 28.256 ( -3.476 -9.274 3.154) 10.394 28.336 ( -4.273 -6.850 4.067) 9.040 28.610 ( 3.112 1.116 0.673) 3.374 28.702 ( -0.692 0.284 0.029) 0.748 29.088 ( 7.742 2.158 1.589) 8.193 29.285 ( 3.192 6.889 -1.191) 7.686 29.449 ( -0.660 -1.526 2.372) 2.897 29.628 ( -4.201 2.847 0.119) 5.076 29.964 ( 5.091 0.971 -0.215) 5.188 30.094 ( -0.428 0.966 -1.637) 1.948 30.209 ( 2.121 -0.276 0.418) 2.180 30.321 ( -2.853 -1.121 -1.288) 3.325 30.414 ( 0.933 -0.127 -1.277) 1.587 30.486 ( -1.965 -0.007 -0.093) 1.967 30.521 ( 0.296 -1.005 -0.631) 1.223 30.545 ( -0.488 -0.361 -1.245) 1.385 30.703 ( -0.448 -1.273 -4.006) 4.228 30.769 ( -0.978 1.204 -2.203) 2.695 30.899 ( 2.106 -0.358 -3.412) 4.025 30.962 ( -1.145 -0.655 -4.491) 4.681 33.361 ( 1.357 0.780 3.961) 4.259 33.422 ( -1.570 0.827 3.169) 3.632 33.469 ( 1.411 -0.888 2.785) 3.246 33.524 ( -1.230 -0.736 2.586) 2.956 ======================= Grid point 59 (17/60) ======================= q-point: (-0.50 0.17 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( 0.000 -0.270 -2.236) 2.253 4.106 ( 0.000 11.024 3.707) 11.630 4.482 ( -0.000 11.566 17.937) 21.343 4.512 ( 0.000 13.755 19.249) 23.659 5.284 ( 0.000 -2.678 6.109) 6.670 5.510 ( 0.000 11.451 12.824) 17.193 6.092 ( -0.000 6.256 12.917) 14.352 6.142 ( 0.000 2.149 17.673) 17.803 6.906 ( 0.000 20.082 18.697) 27.439 6.997 ( -0.000 23.244 26.268) 35.076 8.172 ( 0.000 5.917 11.282) 12.740 8.423 ( 0.000 15.587 20.019) 25.371 8.592 ( 0.000 -16.693 1.419) 16.753 9.110 ( 0.000 7.058 23.094) 24.149 9.556 ( -0.000 -21.879 -0.901) 21.898 9.752 ( 0.000 -19.849 6.588) 20.914 10.579 ( -0.000 -1.205 -1.576) 1.983 10.601 ( 0.000 3.325 0.313) 3.340 11.168 ( -0.000 7.323 0.621) 7.349 11.279 ( 0.000 -11.624 4.899) 12.614 11.534 ( 0.000 0.369 5.931) 5.943 11.539 ( -0.000 14.690 5.338) 15.629 11.853 ( 0.000 -0.273 -14.869) 14.872 12.282 ( 0.000 15.343 -2.718) 15.582 12.809 ( 0.000 -9.837 5.446) 11.244 12.928 ( 0.000 -2.329 3.494) 4.199 13.226 ( 0.000 -8.711 -11.686) 14.575 13.431 ( 0.000 9.347 -6.235) 11.236 13.645 ( 0.000 0.262 -22.626) 22.627 13.735 ( -0.000 4.302 -17.147) 17.679 13.890 ( 0.000 -18.623 -3.294) 18.912 13.949 ( 0.000 -3.242 -2.276) 3.961 14.209 ( 0.000 -7.654 -16.819) 18.479 14.463 ( -0.000 8.692 -5.712) 10.401 14.598 ( -0.000 -10.685 -8.511) 13.661 14.675 ( 0.000 -6.918 -9.028) 11.374 15.105 ( 0.000 -10.144 -6.980) 12.314 15.256 ( 0.000 -6.165 1.381) 6.317 15.360 ( 0.000 -16.769 -14.538) 22.194 15.808 ( 0.000 5.799 -11.313) 12.713 15.977 ( -0.000 -6.648 0.242) 6.653 15.988 ( 0.000 -5.117 5.052) 7.190 16.250 ( 0.000 -4.231 -3.584) 5.545 16.415 ( -0.000 6.564 10.287) 12.203 16.472 ( 0.000 -9.292 -2.831) 9.713 16.499 ( 0.000 -5.118 9.836) 11.087 16.857 ( 0.000 2.058 6.188) 6.522 16.981 ( 0.000 5.773 4.375) 7.244 17.117 ( 0.000 -3.730 -1.064) 3.879 17.197 ( 0.000 -1.557 -2.100) 2.615 17.305 ( 0.000 -3.260 -0.171) 3.264 17.359 ( 0.000 3.736 -1.773) 4.136 17.545 ( 0.000 2.105 7.178) 7.480 17.580 ( 0.000 0.758 5.676) 5.726 17.680 ( 0.000 3.151 2.520) 4.035 17.697 ( -0.000 -3.389 0.700) 3.461 17.764 ( 0.000 0.640 1.050) 1.229 17.953 ( 0.000 1.014 8.914) 8.971 18.044 ( 0.000 2.006 -1.373) 2.431 18.101 ( 0.000 -2.494 -0.053) 2.494 18.256 ( 0.000 4.287 2.071) 4.761 18.288 ( -0.000 6.472 0.257) 6.477 18.490 ( 0.000 -4.517 -1.264) 4.691 18.695 ( -0.000 0.397 4.277) 4.295 18.705 ( 0.000 7.653 8.271) 11.268 18.798 ( -0.000 -4.063 0.821) 4.145 18.976 ( 0.000 -4.602 -6.376) 7.863 19.074 ( 0.000 10.845 7.445) 13.154 19.243 ( 0.000 -5.063 6.599) 8.318 19.321 ( 0.000 3.210 5.262) 6.164 19.544 ( 0.000 -3.335 -5.071) 6.069 19.658 ( -0.000 17.315 1.621) 17.391 19.873 ( 0.000 -2.502 -0.410) 2.536 20.032 ( 0.000 -6.538 2.865) 7.138 20.486 ( -0.000 -4.052 -0.049) 4.052 20.587 ( 0.000 -1.656 -0.199) 1.667 20.779 ( 0.000 4.727 4.713) 6.676 20.800 ( -0.000 0.959 4.054) 4.166 20.947 ( 0.000 3.639 -13.633) 14.110 21.230 ( 0.000 -2.302 -0.706) 2.408 21.369 ( -0.000 19.487 -12.215) 22.999 21.423 ( 0.000 -4.459 -5.249) 6.887 21.722 ( 0.000 0.854 -10.267) 10.302 21.779 ( -0.000 11.622 -10.851) 15.900 22.028 ( -0.000 3.779 -3.694) 5.284 22.038 ( 0.000 4.902 0.641) 4.944 22.227 ( 0.000 -2.681 -2.496) 3.663 22.249 ( 0.000 0.574 3.350) 3.399 22.340 ( -0.000 -2.629 -4.033) 4.814 22.379 ( 0.000 0.036 0.815) 0.816 22.481 ( 0.000 3.478 -3.916) 5.237 22.545 ( 0.000 0.389 -4.432) 4.449 22.758 ( -0.000 -2.317 -2.703) 3.560 22.797 ( 0.000 2.488 -2.269) 3.367 22.890 ( 0.000 -1.790 3.964) 4.350 22.985 ( 0.000 0.953 0.323) 1.006 23.171 ( 0.000 -3.495 -3.253) 4.775 23.222 ( 0.000 -0.623 -2.645) 2.718 23.258 ( 0.000 -2.404 1.530) 2.850 23.286 ( 0.000 -1.595 -1.056) 1.913 23.389 ( 0.000 -2.922 -1.917) 3.495 23.462 ( 0.000 0.716 0.624) 0.949 23.496 ( 0.000 -4.194 0.213) 4.200 23.542 ( 0.000 0.534 5.503) 5.529 23.596 ( 0.000 -2.350 1.916) 3.032 23.644 ( 0.000 -0.807 5.203) 5.265 23.765 ( 0.000 2.448 -2.155) 3.262 23.858 ( 0.000 4.052 3.079) 5.089 24.130 ( 0.000 -2.865 1.003) 3.035 24.271 ( 0.000 1.387 4.010) 4.243 24.362 ( -0.000 -2.309 1.490) 2.748 24.386 ( 0.000 -0.035 3.255) 3.255 24.569 ( 0.000 1.283 0.261) 1.309 24.600 ( 0.000 1.137 3.692) 3.863 24.841 ( 0.000 1.115 -1.608) 1.957 24.911 ( 0.000 4.354 -0.086) 4.354 25.219 ( 0.000 -2.733 -0.521) 2.782 25.321 ( 0.000 1.387 1.874) 2.332 25.554 ( 0.000 -3.716 3.461) 5.078 25.568 ( -0.000 -3.106 3.306) 4.536 25.843 ( -0.000 -1.111 -4.509) 4.644 25.965 ( 0.000 2.946 1.924) 3.519 26.150 ( 0.000 -3.053 -0.280) 3.066 26.219 ( 0.000 0.327 1.078) 1.126 26.457 ( 0.000 -1.883 -3.047) 3.582 26.489 ( 0.000 -3.668 -3.669) 5.188 26.623 ( 0.000 -3.300 1.059) 3.466 26.658 ( 0.000 1.280 3.681) 3.897 26.785 ( 0.000 3.425 -2.156) 4.047 26.852 ( 0.000 4.995 1.119) 5.119 27.138 ( 0.000 1.423 -3.962) 4.210 27.160 ( -0.000 1.526 -2.521) 2.947 27.396 ( 0.000 0.011 0.498) 0.499 27.411 ( 0.000 1.120 1.406) 1.797 27.554 ( -0.000 -0.582 2.482) 2.550 27.559 ( 0.000 0.058 3.165) 3.166 27.882 ( 0.000 1.595 0.709) 1.746 27.893 ( -0.000 2.049 0.829) 2.210 28.224 ( 0.000 -9.433 2.204) 9.687 28.296 ( 0.000 -8.309 5.005) 9.700 28.653 ( 0.000 0.715 -0.099) 0.722 28.682 ( 0.000 0.297 0.984) 1.028 29.210 ( 0.000 0.260 -0.002) 0.260 29.245 ( -0.000 2.670 1.358) 2.996 29.513 ( -0.000 3.662 -0.085) 3.663 29.540 ( 0.000 4.084 1.540) 4.365 30.036 ( -0.000 -0.094 -1.391) 1.394 30.068 ( 0.000 1.249 -0.067) 1.251 30.260 ( -0.000 -0.925 -0.704) 1.163 30.264 ( 0.000 -0.785 -0.739) 1.078 30.439 ( -0.000 -0.197 -0.933) 0.953 30.449 ( 0.000 0.268 -0.262) 0.375 30.527 ( 0.000 -1.191 -1.259) 1.733 30.538 ( 0.000 -0.688 -0.817) 1.068 30.699 ( 0.000 -1.352 -4.455) 4.655 30.759 ( 0.000 1.562 -1.531) 2.187 30.934 ( 0.000 -0.639 -3.830) 3.882 30.936 ( -0.000 -0.622 -3.815) 3.866 33.388 ( 0.000 0.717 3.439) 3.513 33.393 ( -0.000 0.937 3.651) 3.770 33.494 ( -0.000 -1.002 2.544) 2.734 33.501 ( 0.000 -0.661 2.825) 2.901 ======================= Grid point 65 (18/60) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.800 ( 8.814 8.814 3.621) 12.980 4.280 ( 0.119 0.119 5.519) 5.522 4.299 ( 31.448 31.448 21.426) 49.366 4.716 ( 15.418 15.418 6.021) 22.621 5.194 ( 0.473 0.473 3.977) 4.033 5.706 ( -1.163 -1.163 7.741) 7.913 5.801 ( 16.857 16.857 18.696) 30.296 6.799 ( 11.362 11.362 7.715) 17.825 7.292 ( -9.668 -9.668 11.322) 17.752 7.420 ( 40.800 40.800 31.728) 65.848 7.662 ( -4.019 -4.019 20.365) 21.143 8.036 ( 10.564 10.564 5.194) 15.818 8.691 ( 1.503 1.503 25.750) 25.838 8.881 ( -11.012 -11.012 -1.464) 15.642 9.748 ( -29.790 -29.790 3.737) 42.295 10.109 ( 6.255 6.255 19.220) 21.158 10.565 ( 6.216 6.216 0.007) 8.791 10.720 ( -10.030 -10.030 -5.744) 15.304 10.949 ( 7.837 7.837 13.152) 17.199 11.200 ( -10.999 -10.999 -3.716) 15.992 11.490 ( -1.375 -1.375 -3.536) 4.036 11.865 ( -1.396 -1.396 -9.308) 9.515 11.983 ( -7.997 -7.997 1.330) 11.388 12.349 ( -8.375 -8.375 11.027) 16.183 12.538 ( 0.500 0.500 9.986) 10.011 12.776 ( 5.368 5.368 -9.759) 12.364 13.101 ( -13.908 -13.908 0.531) 19.677 13.389 ( 5.653 5.653 -12.705) 15.011 13.534 ( 7.841 7.841 -11.376) 15.886 13.766 ( 5.184 5.184 -2.597) 7.778 13.889 ( -1.256 -1.256 -11.970) 12.101 14.077 ( 0.325 0.325 -5.656) 5.675 14.182 ( 8.525 8.525 -6.056) 13.492 14.334 ( -14.057 -14.057 -22.023) 29.668 14.463 ( -5.248 -5.248 -31.488) 32.351 14.703 ( -5.344 -5.344 -1.519) 7.709 15.045 ( -8.121 -8.121 -6.202) 13.052 15.180 ( -8.723 -8.723 2.700) 12.628 15.215 ( -9.774 -9.774 -2.714) 14.087 15.779 ( 0.183 0.183 -2.058) 2.074 15.879 ( -5.121 -5.121 13.820) 15.602 15.994 ( -1.717 -1.717 -6.099) 6.564 16.162 ( -2.755 -2.755 -9.308) 10.091 16.335 ( -5.541 -5.541 -8.651) 11.672 16.490 ( -3.719 -3.719 9.535) 10.889 16.582 ( 4.971 4.971 6.576) 9.626 16.861 ( 4.167 4.167 5.065) 7.770 17.017 ( 1.127 1.127 1.588) 2.251 17.039 ( 7.204 7.204 0.354) 10.194 17.162 ( 4.232 4.232 -1.569) 6.187 17.223 ( 1.332 1.332 0.648) 1.992 17.473 ( 6.119 6.119 0.297) 8.659 17.518 ( -1.240 -1.240 3.212) 3.659 17.630 ( -3.252 -3.252 5.660) 7.293 17.659 ( -1.782 -1.782 7.152) 7.583 17.712 ( -3.009 -3.009 5.115) 6.654 17.729 ( -2.931 -2.931 -4.846) 6.377 17.970 ( -7.692 -7.692 5.144) 12.033 18.077 ( -0.185 -0.185 -1.242) 1.269 18.142 ( 2.448 2.448 -6.145) 7.054 18.254 ( 1.817 1.817 3.957) 4.718 18.390 ( 8.549 8.549 3.522) 12.593 18.451 ( 3.764 3.764 -4.400) 6.906 18.547 ( -0.747 -0.747 -0.809) 1.331 18.776 ( -0.297 -0.297 -8.707) 8.718 18.930 ( -4.722 -4.722 -5.893) 8.906 18.960 ( 0.325 0.325 5.085) 5.105 19.182 ( -4.478 -4.478 5.285) 8.249 19.234 ( -11.721 -11.721 1.992) 16.696 19.364 ( -0.181 -0.181 9.903) 9.907 19.448 ( -2.278 -2.278 5.018) 5.963 19.602 ( -6.255 -6.255 9.069) 12.669 19.977 ( 6.563 6.563 1.609) 9.420 20.226 ( 10.823 10.823 13.330) 20.297 20.402 ( 3.707 3.707 6.188) 8.110 20.505 ( 4.155 4.155 3.199) 6.690 20.738 ( 1.888 1.888 -1.647) 3.137 20.985 ( 6.649 6.649 -9.809) 13.589 21.063 ( -0.520 -0.520 -1.119) 1.338 21.127 ( 3.683 3.683 -13.909) 14.852 21.166 ( 1.450 1.450 -6.027) 6.367 21.616 ( 4.809 4.809 -16.368) 17.725 21.690 ( 3.745 3.745 -14.735) 15.658 21.971 ( 4.245 4.245 -3.994) 7.211 22.067 ( 3.430 3.430 -5.412) 7.267 22.121 ( 3.748 3.748 -0.463) 5.320 22.162 ( -0.158 -0.158 -1.364) 1.383 22.273 ( -4.215 -4.215 1.263) 6.094 22.338 ( -1.205 -1.205 2.744) 3.230 22.425 ( 6.452 6.452 -1.966) 9.334 22.434 ( 2.311 2.311 -4.056) 5.209 22.553 ( 5.261 5.261 0.363) 7.449 22.623 ( 3.911 3.911 4.211) 6.952 22.819 ( -1.900 -1.900 -7.337) 7.814 22.927 ( -2.154 -2.154 1.680) 3.479 23.063 ( -3.716 -3.716 2.790) 5.950 23.095 ( -2.319 -2.319 -3.735) 4.970 23.214 ( -1.628 -1.628 0.271) 2.318 23.244 ( -3.232 -3.232 -0.582) 4.607 23.260 ( 0.034 0.034 -3.366) 3.366 23.358 ( -1.746 -1.746 -2.572) 3.565 23.418 ( -4.523 -4.523 -2.396) 6.830 23.480 ( 0.470 0.470 2.522) 2.608 23.566 ( -0.702 -0.702 5.902) 5.985 23.592 ( -1.885 -1.885 2.476) 3.638 23.608 ( -1.138 -1.138 7.225) 7.402 23.806 ( 3.473 3.473 -2.359) 5.449 23.944 ( 1.653 1.653 1.252) 2.652 24.050 ( 0.303 0.303 0.438) 0.612 24.242 ( -0.358 -0.358 3.540) 3.576 24.319 ( -2.221 -2.221 1.799) 3.619 24.436 ( -2.080 -2.080 4.951) 5.759 24.590 ( 0.503 0.503 3.089) 3.170 24.627 ( -0.692 -0.692 3.061) 3.213 24.883 ( 1.858 1.858 -7.564) 8.008 24.976 ( 2.646 2.646 -1.899) 4.196 25.213 ( 1.341 1.341 1.689) 2.540 25.283 ( -0.944 -0.944 1.556) 2.050 25.396 ( 2.056 2.056 7.988) 8.501 25.643 ( -8.269 -8.269 2.908) 12.050 25.799 ( 4.266 4.266 -2.826) 6.662 26.032 ( -0.627 -0.627 -2.309) 2.473 26.110 ( -3.068 -3.068 2.219) 4.873 26.249 ( -2.188 -2.188 2.021) 3.696 26.346 ( -0.447 -0.447 -2.808) 2.879 26.487 ( -1.320 -1.320 -4.633) 4.995 26.582 ( -2.407 -2.407 0.437) 3.432 26.653 ( 2.013 2.013 3.221) 4.299 26.842 ( 4.817 4.817 -1.154) 6.910 26.931 ( 0.269 0.269 -2.080) 2.115 27.109 ( 4.039 4.039 -1.461) 5.896 27.269 ( -0.660 -0.660 -3.153) 3.288 27.309 ( 3.760 3.760 0.258) 5.323 27.429 ( 1.014 1.014 3.154) 3.465 27.516 ( -1.554 -1.554 -1.385) 2.598 27.645 ( -3.373 -3.373 2.659) 5.461 27.895 ( 1.159 1.159 -0.198) 1.652 27.954 ( -0.438 -0.438 2.453) 2.530 28.102 ( -5.760 -5.760 5.655) 9.916 28.188 ( -7.456 -7.456 5.238) 11.773 28.631 ( 1.405 1.405 -0.012) 1.988 28.697 ( -1.050 -1.050 -0.354) 1.527 29.161 ( 4.739 4.739 1.419) 6.850 29.337 ( -1.421 -1.421 0.504) 2.071 29.491 ( 5.765 5.765 0.913) 8.204 29.651 ( -0.813 -0.813 -0.697) 1.344 30.001 ( 2.945 2.945 0.052) 4.165 30.108 ( -0.064 -0.064 -0.466) 0.475 30.208 ( 0.564 0.564 -0.420) 0.901 30.287 ( -2.393 -2.393 -1.315) 3.630 30.421 ( 0.890 0.890 -1.115) 1.681 30.484 ( -0.739 -0.739 -0.703) 1.259 30.498 ( -0.910 -0.910 -0.484) 1.376 30.529 ( -1.107 -1.107 -1.198) 1.971 30.686 ( -0.574 -0.574 -5.154) 5.217 30.782 ( 0.262 0.262 -1.078) 1.140 30.904 ( 0.818 0.818 -3.192) 3.395 30.945 ( -1.051 -1.051 -3.890) 4.164 33.382 ( 1.401 1.401 3.656) 4.159 33.437 ( -0.165 -0.165 3.135) 3.143 33.452 ( 0.045 0.045 2.881) 2.881 33.505 ( -1.299 -1.299 2.744) 3.302 ======================= Grid point 66 (19/60) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.882 ( 0.000 0.356 -4.782) 4.795 4.266 ( 0.000 5.671 9.814) 11.335 4.744 ( 0.000 14.260 9.395) 17.076 4.795 ( 0.000 13.848 15.745) 20.968 5.173 ( -0.000 -8.432 -0.476) 8.445 5.592 ( 0.000 -2.267 11.426) 11.648 6.443 ( 0.000 28.617 16.665) 33.116 6.453 ( -0.000 30.435 11.354) 32.484 7.219 ( 0.000 7.552 8.779) 11.580 7.454 ( 0.000 21.467 23.893) 32.120 7.941 ( -0.000 -33.671 1.171) 33.691 8.204 ( 0.000 -1.724 14.571) 14.672 8.927 ( -0.000 0.168 3.668) 3.671 9.056 ( 0.000 -24.358 2.735) 24.511 9.530 ( 0.000 34.354 32.482) 47.279 9.532 ( -0.000 20.320 26.879) 33.696 10.602 ( 0.000 4.475 -5.277) 6.919 10.670 ( 0.000 3.402 0.065) 3.403 11.020 ( 0.000 -12.992 -3.874) 13.557 11.303 ( 0.000 -1.210 12.809) 12.866 11.514 ( -0.000 0.455 2.631) 2.670 11.622 ( 0.000 -14.508 16.340) 21.851 11.864 ( 0.000 -2.416 -12.809) 13.035 12.294 ( 0.000 -33.243 4.873) 33.598 12.604 ( 0.000 9.390 1.345) 9.486 12.791 ( 0.000 -5.882 4.392) 7.341 13.012 ( 0.000 -9.721 -14.198) 17.207 13.418 ( 0.000 -4.269 1.415) 4.497 13.711 ( 0.000 6.683 -22.849) 23.806 13.817 ( 0.000 7.969 -12.918) 15.178 13.902 ( 0.000 13.455 -16.960) 21.649 13.989 ( 0.000 -1.083 -9.951) 10.010 14.100 ( -0.000 0.031 -18.507) 18.507 14.410 ( -0.000 -18.713 -19.795) 27.240 14.436 ( 0.000 -3.267 -9.247) 9.807 14.593 ( 0.000 1.931 -7.532) 7.775 14.953 ( 0.000 -5.285 1.292) 5.441 15.092 ( -0.000 -9.527 2.949) 9.973 15.109 ( 0.000 -7.992 4.564) 9.203 15.805 ( 0.000 -6.428 15.870) 17.122 15.867 ( -0.000 -4.934 -2.792) 5.669 15.892 ( 0.000 -5.554 -1.221) 5.686 16.160 ( 0.000 -2.205 -14.680) 14.845 16.236 ( 0.000 -11.649 -6.248) 13.219 16.486 ( 0.000 2.453 4.874) 5.456 16.626 ( 0.000 12.596 7.053) 14.436 16.927 ( -0.000 5.221 2.199) 5.665 17.022 ( 0.000 -2.734 3.303) 4.288 17.138 ( 0.000 6.198 -2.491) 6.680 17.186 ( 0.000 -1.051 -3.748) 3.893 17.306 ( 0.000 3.883 -1.364) 4.115 17.434 ( 0.000 -1.102 0.820) 1.373 17.548 ( 0.000 -0.249 8.235) 8.239 17.588 ( 0.000 -1.253 8.957) 9.045 17.618 ( 0.000 0.204 -0.231) 0.309 17.667 ( 0.000 -0.177 -0.107) 0.207 17.752 ( 0.000 -3.548 1.945) 4.047 17.866 ( -0.000 -6.656 5.637) 8.722 18.107 ( -0.000 1.786 -5.970) 6.232 18.119 ( 0.000 3.392 -4.547) 5.672 18.306 ( 0.000 -7.043 -8.893) 11.345 18.389 ( 0.000 8.540 -1.887) 8.746 18.515 ( 0.000 8.631 -0.831) 8.671 18.664 ( 0.000 -6.576 -4.198) 7.802 18.717 ( -0.000 1.259 -0.891) 1.543 18.885 ( -0.000 7.774 9.192) 12.039 18.914 ( 0.000 -0.260 -6.894) 6.899 19.110 ( 0.000 -12.876 2.645) 13.144 19.139 ( -0.000 -6.335 7.020) 9.456 19.349 ( 0.000 -1.001 14.037) 14.072 19.401 ( 0.000 3.394 8.070) 8.755 19.591 ( 0.000 -12.842 9.267) 15.836 20.032 ( 0.000 7.196 1.126) 7.284 20.284 ( 0.000 18.949 13.902) 23.502 20.457 ( -0.000 0.125 1.830) 1.834 20.559 ( 0.000 -0.588 4.594) 4.631 20.886 ( 0.000 10.320 1.570) 10.438 20.895 ( -0.000 8.247 -1.381) 8.362 21.049 ( 0.000 6.541 -17.877) 19.037 21.175 ( 0.000 -1.461 -3.214) 3.530 21.288 ( 0.000 -8.310 -12.860) 15.311 21.636 ( 0.000 0.742 -9.748) 9.776 21.754 ( 0.000 5.371 -20.501) 21.193 21.975 ( 0.000 5.927 -3.144) 6.709 22.081 ( 0.000 1.647 -4.024) 4.348 22.139 ( 0.000 3.585 2.537) 4.392 22.161 ( 0.000 -1.947 -3.409) 3.926 22.199 ( 0.000 -5.296 1.087) 5.406 22.375 ( 0.000 6.095 4.553) 7.608 22.412 ( 0.000 6.217 -2.059) 6.549 22.569 ( 0.000 2.868 -9.823) 10.234 22.609 ( 0.000 5.752 -3.059) 6.515 22.713 ( 0.000 0.355 -1.386) 1.431 22.815 ( 0.000 -1.201 -3.243) 3.458 22.872 ( 0.000 -1.042 6.206) 6.293 22.969 ( 0.000 -2.811 1.428) 3.153 23.081 ( 0.000 -5.851 -3.711) 6.928 23.184 ( 0.000 -2.482 0.198) 2.490 23.220 ( 0.000 -1.804 0.338) 1.835 23.242 ( -0.000 -3.135 -3.589) 4.765 23.358 ( 0.000 -0.064 -0.018) 0.066 23.378 ( 0.000 -4.991 -1.098) 5.111 23.494 ( -0.000 0.613 1.116) 1.273 23.526 ( 0.000 -2.561 4.236) 4.950 23.575 ( 0.000 0.718 5.269) 5.318 23.607 ( 0.000 -2.200 8.083) 8.377 23.858 ( 0.000 6.363 -4.530) 7.810 23.938 ( 0.000 4.179 3.001) 5.145 24.070 ( 0.000 -3.863 -0.930) 3.973 24.220 ( 0.000 -4.672 0.918) 4.761 24.318 ( 0.000 -2.140 3.718) 4.290 24.399 ( 0.000 0.133 6.757) 6.758 24.603 ( 0.000 1.480 2.959) 3.309 24.613 ( -0.000 0.321 4.194) 4.206 24.900 ( 0.000 4.367 -8.774) 9.801 25.013 ( 0.000 6.304 -2.965) 6.967 25.199 ( 0.000 1.312 1.814) 2.239 25.310 ( 0.000 -3.048 1.034) 3.219 25.479 ( 0.000 -6.127 5.765) 8.413 25.482 ( -0.000 -2.862 8.199) 8.685 25.862 ( 0.000 2.829 -6.761) 7.329 26.006 ( 0.000 1.412 2.585) 2.946 26.079 ( 0.000 -4.341 0.227) 4.347 26.211 ( 0.000 -0.408 2.877) 2.906 26.404 ( 0.000 -4.559 -3.576) 5.794 26.414 ( -0.000 -4.194 -3.297) 5.335 26.568 ( 0.000 -0.390 -0.645) 0.754 26.679 ( 0.000 1.439 3.361) 3.656 26.887 ( -0.000 5.769 -2.734) 6.384 26.933 ( 0.000 2.349 -0.697) 2.450 27.195 ( 0.000 2.446 -3.600) 4.352 27.202 ( -0.000 5.181 -3.517) 6.263 27.398 ( 0.000 0.364 -0.015) 0.364 27.432 ( 0.000 0.533 0.167) 0.559 27.516 ( -0.000 -3.809 0.040) 3.809 27.563 ( 0.000 0.824 4.638) 4.711 27.920 ( 0.000 2.186 1.987) 2.954 27.936 ( -0.000 2.211 2.265) 3.165 28.057 ( 0.000 -7.312 4.690) 8.687 28.107 ( -0.000 -10.409 6.440) 12.240 28.660 ( 0.000 -0.029 -0.519) 0.520 28.670 ( -0.000 -1.052 -0.113) 1.058 29.224 ( 0.000 0.941 -0.272) 0.980 29.304 ( 0.000 3.054 3.170) 4.402 29.589 ( -0.000 3.639 -1.007) 3.776 29.605 ( 0.000 2.380 -0.036) 2.380 30.047 ( -0.000 1.199 -0.594) 1.338 30.091 ( 0.000 1.069 1.101) 1.535 30.237 ( -0.000 -1.372 -1.240) 1.849 30.241 ( 0.000 -1.529 -1.204) 1.946 30.441 ( 0.000 0.491 -1.635) 1.708 30.458 ( 0.000 0.780 -0.156) 0.795 30.498 ( 0.000 -1.731 -1.032) 2.015 30.515 ( 0.000 -1.684 -0.874) 1.897 30.681 ( 0.000 -0.600 -5.521) 5.553 30.784 ( 0.000 0.996 -0.614) 1.170 30.923 ( 0.000 -0.440 -3.404) 3.432 30.924 ( -0.000 -0.504 -3.394) 3.431 33.408 ( 0.000 1.394 3.173) 3.466 33.415 ( -0.000 1.363 3.493) 3.749 33.470 ( -0.000 -1.559 2.588) 3.021 33.483 ( 0.000 -1.208 3.120) 3.346 ======================= Grid point 76 (20/60) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.886 ( 0.000 0.000 -5.854) 5.854 4.319 ( 0.000 0.000 11.935) 11.935 4.941 ( 0.000 0.000 15.222) 15.222 4.941 ( 0.000 0.000 15.222) 15.222 5.028 ( 0.000 0.000 -10.730) 10.730 5.549 ( 0.000 0.000 11.665) 11.665 6.963 ( 0.000 0.000 10.600) 10.600 7.064 ( -0.000 -0.000 8.553) 8.553 7.064 ( 0.000 0.000 8.553) 8.553 7.201 ( 0.000 0.000 9.914) 9.914 7.837 ( 0.000 0.000 15.299) 15.299 8.247 ( 0.000 0.000 22.716) 22.716 8.728 ( 0.000 0.000 -2.769) 2.769 8.728 ( 0.000 0.000 -2.769) 2.769 10.086 ( 0.000 0.000 35.442) 35.442 10.086 ( 0.000 0.000 35.442) 35.442 10.767 ( -0.000 -0.000 0.613) 0.613 10.767 ( 0.000 0.000 0.613) 0.613 10.824 ( 0.000 0.000 -15.463) 15.463 10.973 ( 0.000 0.000 13.950) 13.950 11.160 ( -0.000 -0.000 21.925) 21.925 11.625 ( 0.000 0.000 22.563) 22.563 11.848 ( 0.000 0.000 -7.286) 7.286 11.848 ( 0.000 0.000 -7.286) 7.286 12.792 ( 0.000 0.000 5.104) 5.104 12.792 ( 0.000 0.000 5.104) 5.104 12.859 ( -0.000 -0.000 -25.564) 25.564 13.420 ( 0.000 0.000 -0.767) 0.767 13.825 ( 0.000 0.000 -23.244) 23.244 13.907 ( 0.000 0.000 -17.679) 17.679 13.907 ( 0.000 0.000 -17.679) 17.679 14.120 ( -0.000 -0.000 -20.168) 20.168 14.120 ( 0.000 0.000 -20.168) 20.168 14.127 ( 0.000 0.000 -25.610) 25.610 14.456 ( 0.000 0.000 -6.421) 6.421 14.577 ( 0.000 0.000 -4.201) 4.201 14.907 ( 0.000 0.000 7.543) 7.543 15.013 ( 0.000 0.000 8.986) 8.986 15.013 ( 0.000 0.000 8.986) 8.986 15.717 ( 0.000 0.000 24.732) 24.732 15.817 ( 0.000 0.000 -1.762) 1.762 15.817 ( 0.000 0.000 -1.762) 1.762 16.111 ( 0.000 0.000 -9.109) 9.109 16.154 ( 0.000 0.000 -18.495) 18.495 16.522 ( 0.000 0.000 2.483) 2.483 16.778 ( 0.000 0.000 6.504) 6.504 16.993 ( 0.000 0.000 -0.067) 0.067 16.993 ( 0.000 0.000 -0.067) 0.067 17.197 ( 0.000 0.000 -5.231) 5.231 17.197 ( 0.000 0.000 -5.231) 5.231 17.326 ( 0.000 0.000 1.026) 1.026 17.388 ( 0.000 0.000 6.848) 6.848 17.540 ( 0.000 0.000 8.530) 8.530 17.540 ( 0.000 0.000 8.530) 8.530 17.667 ( 0.000 0.000 1.603) 1.603 17.733 ( 0.000 0.000 -0.066) 0.066 17.733 ( 0.000 0.000 -0.066) 0.066 17.737 ( -0.000 -0.000 8.234) 8.234 18.151 ( -0.000 -0.000 -13.148) 13.148 18.166 ( 0.000 0.000 -11.182) 11.182 18.166 ( 0.000 0.000 -11.182) 11.182 18.461 ( 0.000 0.000 -9.475) 9.475 18.639 ( 0.000 0.000 -1.869) 1.869 18.639 ( 0.000 0.000 -1.869) 1.869 18.726 ( 0.000 0.000 -0.945) 0.945 18.849 ( 0.000 0.000 8.138) 8.138 18.965 ( -0.000 -0.000 -8.451) 8.451 19.020 ( 0.000 0.000 8.758) 8.758 19.020 ( 0.000 0.000 8.758) 8.758 19.346 ( 0.000 0.000 15.752) 15.752 19.453 ( 0.000 0.000 14.507) 14.507 19.453 ( 0.000 0.000 14.507) 14.507 20.079 ( 0.000 0.000 -2.801) 2.801 20.434 ( 0.000 0.000 14.515) 14.515 20.453 ( 0.000 0.000 3.418) 3.418 20.579 ( 0.000 0.000 8.101) 8.101 21.051 ( 0.000 0.000 2.264) 2.264 21.051 ( 0.000 0.000 2.264) 2.264 21.106 ( -0.000 -0.000 -33.965) 33.965 21.181 ( 0.000 0.000 -4.800) 4.800 21.181 ( 0.000 0.000 -4.800) 4.800 21.562 ( 0.000 0.000 -6.527) 6.527 21.812 ( 0.000 0.000 -24.454) 24.454 21.999 ( 0.000 0.000 4.918) 4.918 22.112 ( -0.000 -0.000 -1.503) 1.503 22.112 ( 0.000 0.000 -1.503) 1.503 22.137 ( 0.000 0.000 -6.915) 6.915 22.191 ( 0.000 0.000 0.423) 0.423 22.494 ( 0.000 0.000 8.023) 8.023 22.543 ( 0.000 0.000 -13.042) 13.042 22.543 ( 0.000 0.000 -13.042) 13.042 22.648 ( 0.000 0.000 1.587) 1.587 22.805 ( -0.000 -0.000 -9.719) 9.719 22.805 ( 0.000 0.000 -9.719) 9.719 22.809 ( 0.000 0.000 14.683) 14.683 22.912 ( 0.000 0.000 11.124) 11.124 23.007 ( 0.000 0.000 -3.717) 3.717 23.161 ( 0.000 0.000 5.206) 5.206 23.200 ( 0.000 0.000 -4.597) 4.597 23.200 ( 0.000 0.000 -4.597) 4.597 23.333 ( 0.000 0.000 -0.478) 0.478 23.365 ( 0.000 0.000 2.583) 2.583 23.495 ( 0.000 0.000 1.810) 1.810 23.495 ( 0.000 0.000 1.810) 1.810 23.587 ( 0.000 0.000 7.219) 7.219 23.587 ( 0.000 0.000 7.219) 7.219 23.968 ( -0.000 -0.000 -10.049) 10.049 23.987 ( 0.000 0.000 3.807) 3.807 23.987 ( 0.000 0.000 3.807) 3.807 24.163 ( 0.000 0.000 -0.126) 0.126 24.296 ( 0.000 0.000 4.708) 4.708 24.395 ( 0.000 0.000 6.040) 6.040 24.615 ( 0.000 0.000 4.218) 4.218 24.615 ( 0.000 0.000 4.218) 4.218 24.948 ( 0.000 0.000 -12.039) 12.039 25.102 ( 0.000 0.000 -6.629) 6.629 25.247 ( 0.000 0.000 2.255) 2.255 25.247 ( 0.000 0.000 2.255) 2.255 25.387 ( 0.000 0.000 8.673) 8.673 25.459 ( 0.000 0.000 10.785) 10.785 25.910 ( 0.000 0.000 -9.296) 9.296 26.018 ( 0.000 0.000 2.347) 2.347 26.018 ( 0.000 0.000 2.347) 2.347 26.213 ( 0.000 0.000 4.308) 4.308 26.356 ( 0.000 0.000 -2.906) 2.906 26.356 ( 0.000 0.000 -2.906) 2.906 26.575 ( 0.000 0.000 -2.462) 2.462 26.697 ( 0.000 0.000 2.557) 2.557 26.949 ( 0.000 0.000 -1.726) 1.726 26.949 ( 0.000 0.000 -1.726) 1.726 27.232 ( 0.000 0.000 -5.720) 5.720 27.270 ( 0.000 0.000 -3.435) 3.435 27.428 ( 0.000 0.000 -2.538) 2.538 27.428 ( 0.000 0.000 -2.538) 2.538 27.434 ( -0.000 -0.000 1.313) 1.313 27.584 ( 0.000 0.000 8.073) 8.073 27.965 ( -0.000 -0.000 2.134) 2.134 27.966 ( -0.000 -0.000 7.052) 7.052 27.966 ( 0.000 0.000 7.052) 7.052 27.978 ( -0.000 -0.000 2.362) 2.362 28.658 ( 0.000 0.000 -0.543) 0.543 28.658 ( 0.000 0.000 -0.543) 0.543 29.234 ( 0.000 0.000 -0.540) 0.540 29.336 ( 0.000 0.000 4.018) 4.018 29.626 ( 0.000 0.000 -1.139) 1.139 29.626 ( 0.000 0.000 -1.139) 1.139 30.064 ( 0.000 0.000 0.367) 0.367 30.102 ( 0.000 0.000 1.795) 1.795 30.221 ( 0.000 0.000 -1.723) 1.723 30.221 ( 0.000 0.000 -1.723) 1.723 30.452 ( 0.000 0.000 -3.217) 3.217 30.474 ( 0.000 0.000 0.376) 0.376 30.474 ( 0.000 0.000 0.376) 0.376 30.488 ( 0.000 0.000 -1.547) 1.547 30.676 ( 0.000 0.000 -5.806) 5.806 30.793 ( 0.000 0.000 -0.276) 0.276 30.919 ( 0.000 0.000 -3.234) 3.234 30.919 ( 0.000 0.000 -3.234) 3.234 33.434 ( -0.000 -0.000 3.225) 3.225 33.434 ( 0.000 0.000 3.225) 3.225 33.442 ( 0.000 0.000 2.449) 2.449 33.465 ( 0.000 0.000 3.433) 3.433 ======================= Grid point 98 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( 0.000 0.000 51.062) 51.062 3.040 ( 0.000 0.000 51.062) 51.062 4.425 ( 0.000 0.000 24.815) 24.815 4.425 ( 0.000 0.000 24.815) 24.815 4.882 ( 0.000 0.000 75.075) 75.075 5.487 ( 0.000 0.000 37.166) 37.166 5.508 ( 0.000 0.000 -3.563) 3.563 6.380 ( 0.000 0.000 4.861) 4.861 7.181 ( 0.000 0.000 29.693) 29.693 8.517 ( 0.000 0.000 36.603) 36.603 8.770 ( 0.000 0.000 26.872) 26.872 8.770 ( 0.000 0.000 26.872) 26.872 9.507 ( 0.000 0.000 -1.903) 1.903 9.507 ( 0.000 0.000 -1.903) 1.903 9.965 ( 0.000 0.000 -22.977) 22.977 10.127 ( 0.000 0.000 25.012) 25.012 10.274 ( 0.000 0.000 13.904) 13.904 10.274 ( 0.000 0.000 13.904) 13.904 11.268 ( 0.000 0.000 -13.093) 13.093 11.268 ( 0.000 0.000 -13.093) 13.093 11.422 ( 0.000 0.000 -15.179) 15.179 11.868 ( 0.000 0.000 -4.515) 4.515 11.868 ( 0.000 0.000 -4.515) 4.515 12.217 ( 0.000 0.000 -9.907) 9.907 12.421 ( 0.000 0.000 -4.224) 4.224 12.795 ( 0.000 0.000 -0.578) 0.578 13.221 ( 0.000 0.000 -11.289) 11.289 13.221 ( 0.000 0.000 -11.289) 11.289 13.470 ( 0.000 0.000 -5.791) 5.791 13.483 ( 0.000 0.000 -18.144) 18.144 13.726 ( 0.000 0.000 -28.866) 28.866 13.902 ( 0.000 0.000 -2.312) 2.312 14.059 ( 0.000 0.000 -6.955) 6.955 14.059 ( 0.000 0.000 -6.955) 6.955 14.645 ( 0.000 0.000 -32.552) 32.552 14.645 ( 0.000 0.000 -32.552) 32.552 15.025 ( 0.000 0.000 -10.970) 10.970 15.354 ( 0.000 0.000 -19.410) 19.410 15.714 ( 0.000 0.000 -6.715) 6.715 15.714 ( 0.000 0.000 -6.715) 6.715 15.904 ( 0.000 0.000 10.291) 10.291 15.943 ( 0.000 0.000 17.838) 17.838 15.981 ( 0.000 0.000 -17.923) 17.923 16.670 ( 0.000 0.000 11.596) 11.596 16.670 ( 0.000 0.000 11.596) 11.596 16.827 ( 0.000 0.000 13.888) 13.888 16.907 ( 0.000 0.000 7.100) 7.100 16.907 ( 0.000 0.000 7.100) 7.100 17.320 ( 0.000 0.000 17.229) 17.229 17.367 ( 0.000 0.000 16.346) 16.346 17.421 ( 0.000 0.000 1.504) 1.504 17.421 ( 0.000 0.000 1.504) 1.504 17.480 ( 0.000 0.000 10.814) 10.814 17.592 ( 0.000 0.000 1.971) 1.971 17.592 ( 0.000 0.000 1.971) 1.971 18.012 ( 0.000 0.000 3.540) 3.540 18.012 ( 0.000 0.000 3.540) 3.540 18.068 ( 0.000 0.000 6.488) 6.488 18.087 ( 0.000 0.000 15.332) 15.332 18.238 ( 0.000 0.000 15.299) 15.299 18.364 ( 0.000 0.000 -3.557) 3.557 18.415 ( 0.000 0.000 9.087) 9.087 18.415 ( 0.000 0.000 9.087) 9.087 18.739 ( 0.000 0.000 -34.288) 34.288 18.779 ( 0.000 0.000 10.237) 10.237 19.029 ( 0.000 0.000 1.854) 1.854 19.029 ( 0.000 0.000 1.854) 1.854 19.258 ( 0.000 0.000 -3.675) 3.675 19.258 ( 0.000 0.000 -3.675) 3.675 19.337 ( 0.000 0.000 0.837) 0.837 19.841 ( 0.000 0.000 24.729) 24.729 20.037 ( 0.000 0.000 -14.485) 14.485 20.128 ( 0.000 0.000 -6.300) 6.300 20.128 ( 0.000 0.000 -6.300) 6.300 20.315 ( 0.000 0.000 -6.608) 6.608 20.432 ( 0.000 0.000 -11.212) 11.212 20.496 ( 0.000 0.000 -4.143) 4.143 20.496 ( 0.000 0.000 -4.143) 4.143 20.517 ( 0.000 0.000 -9.859) 9.859 20.720 ( 0.000 0.000 -36.293) 36.293 20.903 ( 0.000 0.000 9.119) 9.119 21.047 ( 0.000 0.000 5.496) 5.496 21.047 ( 0.000 0.000 5.496) 5.496 21.629 ( 0.000 0.000 -6.678) 6.678 21.965 ( 0.000 0.000 4.436) 4.436 21.965 ( 0.000 0.000 4.436) 4.436 21.976 ( 0.000 0.000 7.051) 7.051 22.047 ( 0.000 0.000 6.168) 6.168 22.228 ( 0.000 0.000 -5.892) 5.892 22.228 ( 0.000 0.000 -5.892) 5.892 22.454 ( 0.000 0.000 -4.471) 4.471 22.454 ( 0.000 0.000 -4.471) 4.471 22.643 ( 0.000 0.000 -2.509) 2.509 22.939 ( 0.000 0.000 -6.730) 6.730 23.059 ( 0.000 0.000 6.780) 6.780 23.059 ( 0.000 0.000 6.780) 6.780 23.125 ( 0.000 0.000 -4.950) 4.950 23.299 ( 0.000 0.000 3.756) 3.756 23.318 ( 0.000 0.000 -0.466) 0.466 23.318 ( 0.000 0.000 -0.466) 0.466 23.370 ( 0.000 0.000 -9.360) 9.360 23.403 ( 0.000 0.000 -1.378) 1.378 23.579 ( 0.000 0.000 -9.337) 9.337 23.579 ( 0.000 0.000 -9.337) 9.337 23.599 ( 0.000 0.000 7.669) 7.669 23.637 ( 0.000 0.000 6.635) 6.635 23.957 ( 0.000 0.000 0.860) 0.860 23.957 ( 0.000 0.000 0.860) 0.860 24.024 ( 0.000 0.000 -3.025) 3.025 24.162 ( 0.000 0.000 1.852) 1.852 24.226 ( 0.000 0.000 7.919) 7.919 24.612 ( 0.000 0.000 -2.740) 2.740 24.612 ( 0.000 0.000 -2.740) 2.740 24.701 ( 0.000 0.000 -0.557) 0.557 25.011 ( 0.000 0.000 -5.789) 5.789 25.199 ( 0.000 0.000 7.440) 7.440 25.280 ( 0.000 0.000 5.621) 5.621 25.288 ( 0.000 0.000 7.660) 7.660 25.288 ( 0.000 0.000 7.660) 7.660 25.441 ( 0.000 0.000 -1.206) 1.206 25.747 ( 0.000 0.000 -10.470) 10.470 26.210 ( 0.000 0.000 -4.175) 4.175 26.210 ( 0.000 0.000 -4.175) 4.175 26.231 ( 0.000 0.000 -0.268) 0.268 26.350 ( 0.000 0.000 2.588) 2.588 26.496 ( 0.000 0.000 0.678) 0.678 26.496 ( 0.000 0.000 0.678) 0.678 26.684 ( 0.000 0.000 -1.831) 1.831 26.770 ( 0.000 0.000 8.784) 8.784 26.940 ( 0.000 0.000 3.262) 3.262 26.940 ( 0.000 0.000 3.262) 3.262 27.356 ( 0.000 0.000 -0.339) 0.339 27.417 ( 0.000 0.000 -1.107) 1.107 27.428 ( 0.000 0.000 -1.547) 1.547 27.428 ( 0.000 0.000 -1.547) 1.547 27.626 ( 0.000 0.000 -0.159) 0.159 28.084 ( 0.000 0.000 -0.220) 0.220 28.118 ( 0.000 0.000 5.028) 5.028 28.503 ( 0.000 0.000 2.004) 2.004 28.503 ( 0.000 0.000 2.004) 2.004 28.694 ( 0.000 0.000 1.076) 1.076 28.694 ( 0.000 0.000 1.076) 1.076 28.908 ( 0.000 0.000 4.644) 4.644 28.937 ( 0.000 0.000 8.983) 8.983 29.711 ( 0.000 0.000 1.993) 1.993 29.711 ( 0.000 0.000 1.993) 1.993 29.763 ( 0.000 0.000 1.578) 1.578 29.996 ( 0.000 0.000 -3.197) 3.197 30.212 ( 0.000 0.000 0.199) 0.199 30.335 ( 0.000 0.000 -3.374) 3.374 30.335 ( 0.000 0.000 -3.374) 3.374 30.517 ( 0.000 0.000 -2.202) 2.202 30.528 ( 0.000 0.000 0.549) 0.549 30.528 ( 0.000 0.000 0.549) 0.549 30.686 ( 0.000 0.000 -3.678) 3.678 30.686 ( 0.000 0.000 -3.678) 3.678 30.751 ( 0.000 0.000 -5.265) 5.265 30.824 ( 0.000 0.000 -10.115) 10.115 33.446 ( 0.000 0.000 6.919) 6.919 33.521 ( 0.000 0.000 4.397) 4.397 33.521 ( 0.000 0.000 4.397) 4.397 33.619 ( 0.000 0.000 3.810) 3.810 ======================= Grid point 99 (22/60) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 22.582 0.000 35.857) 42.376 3.446 ( 34.355 0.000 32.072) 46.999 4.328 ( -0.629 0.000 35.264) 35.269 4.502 ( 8.524 0.000 29.965) 31.153 5.180 ( 15.701 0.000 28.321) 32.382 5.561 ( 6.186 0.000 -1.191) 6.300 5.773 ( 36.223 0.000 61.524) 71.395 6.320 ( -6.382 0.000 5.842) 8.652 7.141 ( -0.528 0.000 38.775) 38.779 8.208 ( -25.289 0.000 29.585) 38.920 8.513 ( -26.559 0.000 32.057) 41.630 8.939 ( 9.146 0.000 20.058) 22.045 9.320 ( -11.512 0.000 -6.159) 13.056 9.670 ( -9.254 0.000 17.052) 19.401 9.830 ( 15.908 0.000 13.573) 20.912 10.102 ( 2.565 0.000 -8.585) 8.960 10.307 ( 3.822 0.000 3.231) 5.005 10.623 ( 18.554 0.000 14.352) 23.457 11.121 ( -13.480 0.000 -7.173) 15.269 11.287 ( 0.871 0.000 -12.951) 12.980 11.378 ( -6.223 0.000 -10.552) 12.250 11.797 ( -2.919 0.000 -4.312) 5.208 11.882 ( 0.026 0.000 -7.076) 7.076 12.363 ( -5.130 0.000 -7.147) 8.797 12.448 ( 18.664 0.000 -6.333) 19.709 12.768 ( -2.247 0.000 -4.004) 4.592 13.147 ( -4.705 0.000 -2.959) 5.558 13.148 ( -5.249 0.000 -13.899) 14.857 13.486 ( -5.026 0.000 -3.773) 6.285 13.557 ( 4.404 0.000 -26.267) 26.633 13.738 ( 2.596 0.000 -19.794) 19.964 13.832 ( -2.028 0.000 -1.629) 2.601 14.023 ( -3.795 0.000 -8.678) 9.471 14.120 ( 3.176 0.000 -13.147) 13.526 14.460 ( -13.319 0.000 -22.693) 26.313 14.693 ( 3.935 0.000 -28.891) 29.158 15.092 ( 3.059 0.000 -15.961) 16.252 15.168 ( -14.445 0.000 -18.726) 23.649 15.656 ( -12.038 0.000 6.906) 13.878 15.712 ( -3.256 0.000 -8.874) 9.452 15.912 ( 6.252 0.000 10.865) 12.535 15.965 ( 1.774 0.000 -10.785) 10.930 16.043 ( 11.609 0.000 -6.861) 13.484 16.567 ( -6.882 0.000 14.159) 15.743 16.647 ( -2.380 0.000 9.153) 9.458 16.847 ( -6.427 0.000 9.495) 11.465 16.881 ( -0.012 0.000 7.488) 7.488 16.924 ( 6.422 0.000 7.163) 9.620 17.245 ( -7.837 0.000 11.513) 13.927 17.299 ( 1.872 0.000 6.034) 6.318 17.396 ( -4.144 0.000 3.748) 5.587 17.520 ( 0.531 0.000 3.210) 3.253 17.566 ( 0.650 0.000 7.752) 7.780 17.629 ( 3.068 0.000 6.381) 7.081 17.711 ( 14.987 0.000 8.026) 17.001 17.898 ( -8.958 0.000 11.124) 14.282 17.969 ( -1.064 0.000 7.944) 8.015 18.071 ( -0.883 0.000 3.865) 3.965 18.079 ( 0.124 0.000 5.225) 5.227 18.224 ( -0.020 0.000 9.778) 9.778 18.292 ( -3.782 0.000 -0.681) 3.842 18.479 ( 3.499 0.000 5.771) 6.749 18.538 ( 7.301 0.000 8.549) 11.242 18.638 ( -9.444 0.000 -23.784) 25.590 18.714 ( -6.608 0.000 5.007) 8.290 18.973 ( -1.799 0.000 7.740) 7.946 19.054 ( -2.884 0.000 -8.784) 9.246 19.219 ( -0.211 0.000 0.304) 0.370 19.252 ( 4.438 0.000 3.795) 5.840 19.465 ( 5.022 0.000 0.910) 5.104 19.728 ( -23.732 0.000 -2.141) 23.829 19.810 ( -0.664 0.000 6.014) 6.050 19.983 ( -13.557 0.000 -9.315) 16.449 20.231 ( -13.739 0.000 -8.019) 15.908 20.267 ( 14.056 0.000 7.350) 15.862 20.477 ( -0.259 0.000 -6.922) 6.927 20.524 ( 4.523 0.000 -6.096) 7.590 20.600 ( 10.881 0.000 -3.131) 11.323 20.653 ( 1.267 0.000 -21.817) 21.854 20.713 ( 11.133 0.000 -12.180) 16.501 20.867 ( 9.824 0.000 2.045) 10.034 21.169 ( 10.464 0.000 -1.565) 10.580 21.295 ( 7.710 0.000 -5.070) 9.227 21.662 ( 0.867 0.000 1.688) 1.898 21.837 ( 1.396 0.000 -0.337) 1.437 21.959 ( -0.609 0.000 3.586) 3.637 22.059 ( 1.649 0.000 4.452) 4.747 22.078 ( 2.449 0.000 -0.902) 2.610 22.252 ( 1.782 0.000 -6.486) 6.726 22.277 ( 4.468 0.000 0.452) 4.491 22.421 ( -2.634 0.000 -3.787) 4.613 22.451 ( -0.159 0.000 -4.756) 4.759 22.757 ( 9.273 0.000 -0.609) 9.293 22.913 ( -2.419 0.000 -2.651) 3.589 23.000 ( -5.416 0.000 4.984) 7.360 23.052 ( -6.101 0.000 -1.832) 6.370 23.081 ( 1.686 0.000 2.501) 3.016 23.248 ( -1.461 0.000 -3.049) 3.381 23.262 ( -3.845 0.000 -2.727) 4.714 23.343 ( -3.978 0.000 -9.028) 9.866 23.403 ( 3.914 0.000 2.672) 4.739 23.441 ( 2.025 0.000 -1.562) 2.558 23.547 ( 0.237 0.000 0.408) 0.472 23.563 ( -1.388 0.000 -7.181) 7.314 23.649 ( 0.830 0.000 5.964) 6.022 23.652 ( 2.694 0.000 1.455) 3.062 23.907 ( -1.948 0.000 1.205) 2.291 23.924 ( -3.090 0.000 2.063) 3.715 24.068 ( 2.111 0.000 -0.759) 2.244 24.182 ( 1.888 0.000 0.801) 2.051 24.294 ( 6.460 0.000 6.413) 9.103 24.572 ( -3.991 0.000 -2.666) 4.799 24.588 ( -2.217 0.000 -3.597) 4.225 24.709 ( 0.304 0.000 1.344) 1.378 24.978 ( -3.244 0.000 -3.988) 5.141 25.097 ( -7.543 0.000 9.459) 12.098 25.270 ( 0.498 0.000 3.231) 3.269 25.272 ( -0.221 0.000 5.646) 5.651 25.385 ( 5.955 0.000 7.593) 9.650 25.515 ( 6.399 0.000 -1.020) 6.480 25.789 ( 4.236 0.000 -9.743) 10.624 26.076 ( -9.147 0.000 -0.728) 9.176 26.235 ( 1.434 0.000 -1.172) 1.853 26.286 ( 0.258 0.000 -1.471) 1.494 26.346 ( 0.806 0.000 -0.606) 1.009 26.506 ( 1.786 0.000 -0.751) 1.937 26.545 ( 4.165 0.000 0.653) 4.216 26.662 ( -2.225 0.000 -1.832) 2.882 26.710 ( -3.867 0.000 7.324) 8.283 26.940 ( -0.454 0.000 2.784) 2.821 27.007 ( 4.250 0.000 2.712) 5.042 27.299 ( -5.244 0.000 -2.068) 5.637 27.328 ( -3.354 0.000 0.149) 3.358 27.432 ( 0.045 0.000 -0.392) 0.395 27.502 ( 2.959 0.000 -1.375) 3.263 27.663 ( 3.650 0.000 0.790) 3.735 28.007 ( -7.399 0.000 -0.066) 7.399 28.077 ( -3.997 0.000 3.875) 5.567 28.487 ( -1.797 0.000 2.745) 3.281 28.548 ( 2.453 0.000 2.008) 3.170 28.579 ( -6.535 0.000 4.240) 7.790 28.710 ( 1.259 0.000 0.950) 1.577 28.971 ( 6.140 0.000 3.495) 7.065 29.062 ( 9.240 0.000 5.199) 10.602 29.623 ( -5.642 0.000 2.685) 6.249 29.683 ( -2.879 0.000 1.799) 3.395 29.850 ( 5.634 0.000 0.842) 5.697 30.014 ( 1.636 0.000 -2.850) 3.286 30.209 ( -0.040 0.000 0.385) 0.387 30.324 ( -1.135 0.000 -3.100) 3.301 30.347 ( 1.133 0.000 -3.519) 3.697 30.509 ( -0.747 0.000 -2.091) 2.220 30.525 ( -0.559 0.000 0.184) 0.589 30.526 ( -0.235 0.000 0.183) 0.298 30.668 ( -1.446 0.000 -4.532) 4.757 30.681 ( -0.540 0.000 -4.324) 4.358 30.772 ( 1.953 0.000 -5.242) 5.594 30.834 ( 0.794 0.000 -8.866) 8.901 33.449 ( 0.337 0.000 6.706) 6.715 33.515 ( -0.683 0.000 4.555) 4.606 33.529 ( 0.817 0.000 4.385) 4.460 33.614 ( -0.595 0.000 3.844) 3.890 ======================= Grid point 100 (23/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( 17.387 0.000 6.962) 18.729 3.887 ( 8.224 0.000 0.944) 8.278 4.578 ( 24.205 0.000 36.534) 43.825 4.732 ( 13.763 0.000 34.213) 36.877 5.392 ( 11.587 0.000 17.664) 21.125 5.762 ( 13.859 0.000 11.125) 17.772 6.169 ( -6.295 0.000 9.650) 11.522 6.554 ( 28.236 0.000 35.887) 45.664 7.365 ( 18.653 0.000 60.326) 63.144 7.705 ( -8.354 0.000 26.748) 28.022 7.907 ( -34.494 0.000 36.100) 49.930 9.052 ( 4.998 0.000 17.778) 18.467 9.100 ( -14.178 0.000 0.440) 14.185 9.575 ( 7.261 0.000 10.424) 12.703 9.915 ( -25.912 0.000 13.060) 29.017 10.249 ( -13.872 0.000 -5.201) 14.815 10.347 ( 25.410 0.000 11.925) 28.069 10.851 ( -15.365 0.000 2.487) 15.565 10.953 ( 16.560 0.000 8.886) 18.794 11.157 ( -9.978 0.000 -8.894) 13.366 11.327 ( 7.698 0.000 -5.820) 9.650 11.801 ( 3.193 0.000 -0.004) 3.193 11.809 ( -6.938 0.000 4.479) 8.258 12.425 ( 9.067 0.000 -12.383) 15.348 12.714 ( -8.812 0.000 -7.175) 11.364 12.768 ( 13.088 0.000 -0.600) 13.102 12.944 ( -9.425 0.000 -3.487) 10.049 13.081 ( -1.503 0.000 -19.297) 19.355 13.319 ( -8.613 0.000 -1.438) 8.733 13.503 ( -13.697 0.000 -36.410) 38.901 13.837 ( 5.575 0.000 -13.246) 14.372 13.924 ( 7.391 0.000 -5.930) 9.476 13.960 ( -0.422 0.000 -12.500) 12.507 14.042 ( -3.679 0.000 -20.123) 20.457 14.405 ( 4.805 0.000 -9.097) 10.288 14.705 ( -6.424 0.000 -20.589) 21.568 14.967 ( -2.826 0.000 -20.345) 20.540 15.084 ( -3.222 0.000 -15.207) 15.544 15.454 ( -7.640 0.000 1.750) 7.838 15.557 ( -10.678 0.000 -10.307) 14.841 16.044 ( 5.866 0.000 6.538) 8.784 16.081 ( 7.108 0.000 -2.586) 7.564 16.261 ( 9.289 0.000 -3.768) 10.024 16.550 ( 7.693 0.000 4.237) 8.783 16.569 ( -6.522 0.000 1.344) 6.659 16.717 ( -5.009 0.000 15.349) 16.146 16.917 ( 3.552 0.000 5.582) 6.616 17.102 ( 12.027 0.000 3.135) 12.429 17.112 ( -5.595 0.000 11.146) 12.472 17.263 ( -5.524 0.000 4.327) 7.016 17.288 ( -7.277 0.000 -3.682) 8.156 17.483 ( -4.797 0.000 -1.757) 5.108 17.554 ( -0.389 0.000 3.027) 3.052 17.626 ( -2.664 0.000 5.678) 6.272 17.831 ( 1.854 0.000 11.751) 11.896 17.851 ( -1.876 0.000 9.198) 9.387 17.951 ( -0.348 0.000 18.210) 18.213 17.992 ( -8.260 0.000 0.561) 8.279 18.175 ( 7.013 0.000 4.222) 8.186 18.252 ( -0.110 0.000 4.116) 4.118 18.272 ( 5.196 0.000 5.295) 7.418 18.427 ( -9.867 0.000 -1.601) 9.996 18.544 ( 5.794 0.000 2.194) 6.195 18.603 ( -1.466 0.000 -4.447) 4.683 18.673 ( 5.199 0.000 1.134) 5.321 18.948 ( -5.849 0.000 -10.948) 12.412 18.979 ( 0.054 0.000 11.249) 11.249 19.230 ( 2.047 0.000 4.046) 4.534 19.235 ( -22.597 0.000 2.732) 22.761 19.411 ( 4.035 0.000 5.172) 6.560 19.510 ( 1.686 0.000 2.650) 3.141 19.672 ( -16.830 0.000 2.943) 17.085 19.844 ( 2.984 0.000 -5.504) 6.260 20.014 ( -8.588 0.000 -7.953) 11.705 20.455 ( -1.753 0.000 -16.215) 16.309 20.460 ( -0.781 0.000 -12.013) 12.039 20.586 ( 10.929 0.000 -2.795) 11.281 20.761 ( 5.899 0.000 0.897) 5.967 20.805 ( 9.793 0.000 -2.591) 10.130 21.048 ( 23.907 0.000 -3.312) 24.136 21.072 ( 5.413 0.000 -1.414) 5.595 21.257 ( -5.212 0.000 -6.526) 8.352 21.345 ( 6.748 0.000 -3.895) 7.792 21.658 ( 0.802 0.000 -3.109) 3.211 21.945 ( 0.373 0.000 -2.547) 2.574 21.946 ( -0.978 0.000 0.646) 1.172 22.127 ( 6.154 0.000 -0.195) 6.157 22.174 ( 9.608 0.000 -4.820) 10.749 22.255 ( -1.171 0.000 -5.377) 5.503 22.331 ( 0.611 0.000 1.926) 2.020 22.404 ( 0.933 0.000 -3.296) 3.426 22.443 ( -1.560 0.000 -4.327) 4.600 22.759 ( -6.655 0.000 4.547) 8.060 22.852 ( -4.237 0.000 -0.931) 4.338 22.959 ( -2.567 0.000 1.215) 2.840 23.044 ( 8.638 0.000 -3.181) 9.205 23.087 ( -2.510 0.000 -0.460) 2.552 23.186 ( -3.937 0.000 -3.626) 5.353 23.232 ( -0.464 0.000 -3.652) 3.682 23.262 ( -3.005 0.000 -7.297) 7.892 23.451 ( -0.066 0.000 -1.030) 1.033 23.453 ( 1.855 0.000 2.015) 2.739 23.528 ( -1.608 0.000 -3.479) 3.832 23.581 ( 1.638 0.000 3.068) 3.478 23.660 ( 0.332 0.000 3.596) 3.611 23.678 ( -0.278 0.000 0.662) 0.718 23.871 ( -1.512 0.000 5.099) 5.319 23.899 ( -0.135 0.000 3.905) 3.908 24.122 ( 4.629 0.000 -0.192) 4.632 24.222 ( 1.996 0.000 -1.049) 2.255 24.395 ( 2.109 0.000 4.301) 4.790 24.475 ( -5.920 0.000 -1.699) 6.159 24.568 ( 1.734 0.000 -1.829) 2.520 24.696 ( -1.903 0.000 4.576) 4.956 24.917 ( -2.540 0.000 -0.462) 2.582 24.967 ( -5.672 0.000 7.425) 9.343 25.289 ( 1.312 0.000 3.584) 3.816 25.290 ( 1.546 0.000 3.792) 4.095 25.499 ( 6.474 0.000 5.354) 8.401 25.648 ( 6.860 0.000 -2.183) 7.199 25.877 ( 3.769 0.000 -7.101) 8.039 25.892 ( -9.302 0.000 1.500) 9.423 26.217 ( -2.673 0.000 1.741) 3.190 26.253 ( -2.864 0.000 0.340) 2.884 26.407 ( 4.645 0.000 -2.835) 5.441 26.536 ( -0.542 0.000 -3.102) 3.149 26.586 ( 0.050 0.000 0.441) 0.444 26.620 ( -1.203 0.000 -1.410) 1.854 26.718 ( 5.298 0.000 4.206) 6.765 26.910 ( -2.912 0.000 2.213) 3.658 27.040 ( 0.017 0.000 -1.193) 1.193 27.180 ( -7.047 0.000 -3.422) 7.834 27.346 ( 4.644 0.000 2.614) 5.329 27.429 ( -0.221 0.000 0.341) 0.406 27.542 ( 2.113 0.000 0.085) 2.115 27.737 ( 2.235 0.000 3.129) 3.845 27.849 ( -7.137 0.000 -0.124) 7.138 27.985 ( -5.556 0.000 2.134) 5.952 28.445 ( -2.331 0.000 3.473) 4.182 28.449 ( -4.236 0.000 4.347) 6.069 28.637 ( 4.124 0.000 2.785) 4.976 28.722 ( -0.206 0.000 1.920) 1.931 29.105 ( 7.451 0.000 1.839) 7.675 29.210 ( 5.373 0.000 1.975) 5.725 29.531 ( -3.404 0.000 3.686) 5.017 29.612 ( -4.473 0.000 2.069) 4.928 29.951 ( 4.914 0.000 -0.128) 4.915 30.040 ( 0.667 0.000 -2.179) 2.279 30.219 ( 1.119 0.000 -0.184) 1.134 30.293 ( -2.122 0.000 -2.414) 3.215 30.374 ( 1.820 0.000 -3.118) 3.610 30.478 ( -2.786 0.000 -1.818) 3.327 30.515 ( -0.185 0.000 -1.141) 1.156 30.521 ( -0.283 0.000 -0.550) 0.618 30.650 ( -0.307 0.000 -4.609) 4.619 30.667 ( -0.841 0.000 -4.434) 4.513 30.810 ( 1.838 0.000 -5.650) 5.941 30.844 ( 0.110 0.000 -7.269) 7.269 33.459 ( 0.762 0.000 6.197) 6.243 33.498 ( -1.087 0.000 4.984) 5.101 33.550 ( 1.285 0.000 4.293) 4.481 33.598 ( -1.079 0.000 3.950) 4.095 ======================= Grid point 101 (24/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.896 ( -1.931 0.000 -3.706) 4.179 3.896 ( 1.931 0.000 -3.706) 4.179 4.866 ( -1.704 0.000 24.621) 24.680 4.866 ( 1.704 0.000 24.621) 24.680 5.692 ( -14.899 0.000 20.638) 25.454 5.692 ( 14.899 0.000 20.638) 25.454 6.466 ( -27.180 0.000 24.422) 36.541 6.466 ( 27.180 0.000 24.422) 36.541 7.368 ( -13.354 0.000 35.248) 37.693 7.368 ( 13.354 0.000 35.248) 37.693 8.581 ( -49.115 0.000 27.672) 56.374 8.581 ( 49.115 0.000 27.672) 56.374 9.276 ( -13.899 0.000 22.347) 26.317 9.276 ( 13.899 0.000 22.347) 26.317 9.865 ( -14.914 0.000 2.090) 15.060 9.865 ( 14.914 0.000 2.090) 15.060 10.643 ( -8.852 0.000 2.952) 9.331 10.643 ( 8.852 0.000 2.952) 9.331 11.101 ( -0.059 0.000 -8.626) 8.626 11.101 ( 0.059 0.000 -8.626) 8.626 11.636 ( -9.487 0.000 9.116) 13.156 11.636 ( 9.487 0.000 9.116) 13.156 12.047 ( -21.079 0.000 10.320) 23.470 12.047 ( 21.079 0.000 10.320) 23.470 12.856 ( -4.519 0.000 -14.086) 14.793 12.856 ( 4.519 0.000 -14.086) 14.793 13.015 ( -12.003 0.000 -15.565) 19.656 13.015 ( 12.003 0.000 -15.565) 19.656 13.213 ( -0.419 0.000 -17.591) 17.596 13.213 ( 0.419 0.000 -17.591) 17.596 13.900 ( -1.460 0.000 -22.446) 22.494 13.900 ( 1.460 0.000 -22.446) 22.494 14.068 ( -0.048 0.000 -6.698) 6.698 14.068 ( 0.048 0.000 -6.698) 6.698 14.520 ( -6.729 0.000 -13.211) 14.826 14.520 ( 6.729 0.000 -13.211) 14.826 15.012 ( -0.709 0.000 -17.100) 17.114 15.012 ( 0.709 0.000 -17.100) 17.114 15.407 ( -0.585 0.000 -4.236) 4.276 15.407 ( 0.585 0.000 -4.236) 4.276 16.121 ( -1.159 0.000 0.460) 1.247 16.121 ( 1.159 0.000 0.460) 1.247 16.425 ( -5.955 0.000 0.512) 5.977 16.425 ( 5.955 0.000 0.512) 5.977 16.680 ( -1.236 0.000 9.165) 9.248 16.680 ( 1.236 0.000 9.165) 9.248 17.017 ( -4.772 0.000 6.784) 8.294 17.017 ( 4.772 0.000 6.784) 8.294 17.181 ( -0.037 0.000 -2.089) 2.089 17.181 ( 0.037 0.000 -2.089) 2.089 17.336 ( -7.008 0.000 -3.036) 7.637 17.336 ( 7.008 0.000 -3.036) 7.637 17.576 ( -1.997 0.000 3.097) 3.685 17.576 ( 1.997 0.000 3.097) 3.685 17.834 ( -0.537 0.000 5.169) 5.196 17.834 ( 0.537 0.000 5.169) 5.196 17.912 ( -1.967 0.000 15.639) 15.763 17.912 ( 1.967 0.000 15.639) 15.763 18.248 ( -1.898 0.000 6.860) 7.117 18.248 ( 1.898 0.000 6.860) 7.117 18.320 ( -0.225 0.000 7.998) 8.001 18.320 ( 0.225 0.000 7.998) 8.001 18.674 ( -3.707 0.000 -13.069) 13.585 18.674 ( 3.707 0.000 -13.069) 13.585 18.774 ( -8.731 0.000 -0.539) 8.748 18.774 ( 8.731 0.000 -0.539) 8.748 18.960 ( -0.033 0.000 8.613) 8.613 18.960 ( 0.033 0.000 8.613) 8.613 19.348 ( -5.762 0.000 5.973) 8.299 19.348 ( 5.762 0.000 5.973) 8.299 19.525 ( -0.013 0.000 6.468) 6.468 19.525 ( 0.013 0.000 6.468) 6.468 19.903 ( -0.888 0.000 -8.306) 8.354 19.903 ( 0.888 0.000 -8.306) 8.354 20.434 ( -0.001 0.000 -20.408) 20.408 20.434 ( 0.001 0.000 -20.408) 20.408 20.776 ( -3.008 0.000 3.275) 4.447 20.776 ( 3.008 0.000 3.275) 4.447 20.963 ( -5.937 0.000 -2.209) 6.334 20.963 ( 5.937 0.000 -2.209) 6.334 21.291 ( -0.589 0.000 -8.035) 8.056 21.291 ( 0.589 0.000 -8.035) 8.056 21.556 ( -14.761 0.000 2.433) 14.960 21.556 ( 14.761 0.000 2.433) 14.960 21.917 ( -0.090 0.000 -3.005) 3.006 21.917 ( 0.090 0.000 -3.005) 3.006 22.249 ( -0.331 0.000 -6.310) 6.319 22.249 ( 0.331 0.000 -6.310) 6.319 22.284 ( -4.084 0.000 -1.273) 4.278 22.284 ( 4.084 0.000 -1.273) 4.278 22.411 ( -0.190 0.000 -1.552) 1.564 22.411 ( 0.190 0.000 -1.552) 1.564 22.754 ( -4.952 0.000 -2.414) 5.509 22.754 ( 4.952 0.000 -2.414) 5.509 22.984 ( -5.289 0.000 2.165) 5.715 22.984 ( 5.289 0.000 2.165) 5.715 23.146 ( -1.152 0.000 -3.419) 3.608 23.146 ( 1.152 0.000 -3.419) 3.608 23.234 ( -0.379 0.000 -4.530) 4.545 23.234 ( 0.379 0.000 -4.530) 4.545 23.458 ( -0.092 0.000 -0.223) 0.242 23.458 ( 0.092 0.000 -0.223) 0.242 23.559 ( -1.703 0.000 1.310) 2.148 23.559 ( 1.703 0.000 1.310) 2.148 23.664 ( -0.298 0.000 1.547) 1.576 23.664 ( 0.298 0.000 1.547) 1.576 23.879 ( -0.357 0.000 6.103) 6.114 23.879 ( 0.357 0.000 6.103) 6.114 24.219 ( -1.209 0.000 -1.912) 2.262 24.219 ( 1.209 0.000 -1.912) 2.262 24.395 ( -0.626 0.000 0.572) 0.848 24.395 ( 0.626 0.000 0.572) 0.848 24.639 ( -2.115 0.000 4.371) 4.856 24.639 ( 2.115 0.000 4.371) 4.856 24.902 ( -0.854 0.000 3.425) 3.530 24.902 ( 0.854 0.000 3.425) 3.530 25.306 ( -0.003 0.000 3.378) 3.378 25.306 ( 0.003 0.000 3.378) 3.378 25.635 ( -7.474 0.000 1.831) 7.695 25.635 ( 7.474 0.000 1.831) 7.695 25.864 ( -1.543 0.000 -2.172) 2.665 25.864 ( 1.543 0.000 -2.172) 2.665 26.202 ( -1.007 0.000 0.913) 1.359 26.202 ( 1.007 0.000 0.913) 1.359 26.484 ( -3.609 0.000 -2.334) 4.298 26.484 ( 3.609 0.000 -2.334) 4.298 26.604 ( -0.346 0.000 -1.355) 1.399 26.604 ( 0.346 0.000 -1.355) 1.399 26.831 ( -3.205 0.000 2.438) 4.027 26.831 ( 3.205 0.000 2.438) 4.027 27.068 ( -2.463 0.000 -3.268) 4.092 27.068 ( 2.463 0.000 -3.268) 4.092 27.418 ( -0.809 0.000 0.904) 1.213 27.418 ( 0.809 0.000 0.904) 1.213 27.630 ( -7.842 0.000 3.158) 8.454 27.630 ( 7.842 0.000 3.158) 8.454 27.879 ( -5.482 0.000 0.991) 5.571 27.879 ( 5.482 0.000 0.991) 5.571 28.416 ( -0.014 0.000 3.862) 3.862 28.416 ( 0.014 0.000 3.862) 3.862 28.699 ( -1.379 0.000 2.690) 3.022 28.699 ( 1.379 0.000 2.690) 3.022 29.221 ( -3.544 0.000 0.854) 3.645 29.221 ( 3.544 0.000 0.854) 3.645 29.532 ( -1.886 0.000 3.389) 3.879 29.532 ( 1.886 0.000 3.389) 3.879 30.023 ( -1.663 0.000 -1.173) 2.035 30.023 ( 1.663 0.000 -1.173) 2.035 30.251 ( -2.206 0.000 -1.422) 2.624 30.251 ( 2.206 0.000 -1.422) 2.624 30.419 ( -2.821 0.000 -2.412) 3.712 30.419 ( 2.821 0.000 -2.412) 3.712 30.516 ( -0.042 0.000 -1.217) 1.218 30.516 ( 0.042 0.000 -1.217) 1.218 30.653 ( -0.052 0.000 -4.316) 4.316 30.653 ( 0.052 0.000 -4.316) 4.316 30.836 ( -0.931 0.000 -6.245) 6.314 30.836 ( 0.931 0.000 -6.245) 6.314 33.477 ( -0.999 0.000 5.575) 5.664 33.477 ( 0.999 0.000 5.575) 5.664 33.575 ( -1.239 0.000 4.120) 4.302 33.575 ( 1.239 0.000 4.120) 4.302 ======================= Grid point 106 (25/60) ======================= q-point: ( 0.17 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.534 ( 17.353 17.353 20.723) 32.120 3.670 ( 23.265 23.265 17.576) 37.301 4.323 ( 4.439 4.439 40.822) 41.302 4.600 ( 10.212 10.212 34.226) 37.149 5.261 ( 6.216 6.216 16.659) 18.836 5.579 ( 5.289 5.289 7.603) 10.666 6.166 ( 27.920 27.920 42.589) 58.077 6.287 ( 4.293 4.293 14.983) 16.166 7.163 ( 6.021 6.021 48.389) 49.132 8.062 ( -14.337 -14.337 26.606) 33.451 8.471 ( -12.903 -12.903 28.676) 33.990 8.918 ( -4.525 -4.525 23.007) 23.880 9.147 ( -9.554 -9.554 7.025) 15.228 9.372 ( -17.372 -17.372 8.305) 25.933 9.946 ( 15.139 15.139 14.208) 25.695 10.282 ( 6.777 6.777 -3.843) 10.326 10.395 ( 6.166 6.166 -3.249) 9.306 10.752 ( 5.485 5.485 12.581) 14.780 10.934 ( -8.314 -8.314 -1.462) 11.848 11.358 ( -4.177 -4.177 -10.113) 11.712 11.399 ( 6.815 6.815 -10.607) 14.331 11.699 ( -5.892 -5.892 -2.212) 8.621 11.959 ( 4.180 4.180 -9.094) 10.846 12.304 ( -2.809 -2.809 -8.066) 8.991 12.627 ( 10.478 10.478 -0.796) 14.839 12.730 ( -1.677 -1.677 -13.169) 13.380 12.996 ( -2.662 -2.662 -5.058) 6.305 13.289 ( -0.911 -0.911 -8.313) 8.412 13.334 ( -7.760 -7.760 -4.374) 11.815 13.608 ( 1.810 1.810 -24.466) 24.599 13.743 ( 1.555 1.555 -13.395) 13.574 13.853 ( 0.214 0.214 -3.237) 3.251 14.010 ( -3.925 -3.925 -11.698) 12.948 14.105 ( 0.169 0.169 -14.750) 14.752 14.367 ( -10.886 -10.886 -22.516) 27.276 14.649 ( 0.739 0.739 -18.330) 18.360 15.046 ( -8.243 -8.243 -16.530) 20.228 15.148 ( 0.392 0.392 -18.217) 18.225 15.589 ( -9.303 -9.303 9.436) 16.190 15.770 ( -1.472 -1.472 -10.419) 10.625 15.812 ( 2.479 2.479 2.715) 4.434 15.899 ( -3.745 -3.745 -6.090) 8.071 16.181 ( 11.413 11.413 -6.093) 17.252 16.435 ( -6.228 -6.228 7.243) 11.403 16.656 ( -3.781 -3.781 12.116) 13.243 16.794 ( -2.882 -2.882 5.215) 6.618 16.938 ( -0.901 -0.901 9.925) 10.006 16.987 ( 6.311 6.311 6.424) 10.996 17.179 ( -6.398 -6.398 6.736) 11.280 17.204 ( -4.567 -4.567 10.200) 12.073 17.389 ( -6.134 -6.134 2.160) 8.940 17.472 ( 2.461 2.461 3.015) 4.605 17.568 ( 0.087 0.087 5.419) 5.421 17.639 ( 0.523 0.523 4.013) 4.081 17.853 ( 1.140 1.140 10.416) 10.540 17.894 ( -0.502 -0.502 12.289) 12.309 17.936 ( 2.694 2.694 -0.116) 3.812 17.994 ( -1.956 -1.956 4.993) 5.708 18.141 ( 0.496 0.496 4.235) 4.292 18.236 ( 3.474 3.474 6.224) 7.930 18.302 ( -0.922 -0.922 5.075) 5.240 18.424 ( -2.145 -2.145 1.946) 3.603 18.485 ( -9.988 -9.988 -3.437) 14.538 18.609 ( 1.140 1.140 3.247) 3.626 18.677 ( -3.732 -3.732 -8.181) 9.736 18.927 ( -6.983 -6.983 -8.188) 12.828 19.004 ( 0.612 0.612 5.139) 5.211 19.253 ( 6.461 6.461 5.815) 10.830 19.396 ( 6.536 6.536 2.951) 9.702 19.512 ( -2.216 -2.216 -0.859) 3.250 19.556 ( -5.371 -5.371 -1.337) 7.712 19.837 ( -3.424 -3.424 -1.567) 5.089 19.940 ( -6.166 -6.166 -5.551) 10.336 20.204 ( 5.864 5.864 19.174) 20.890 20.371 ( -2.713 -2.713 -11.803) 12.411 20.486 ( 1.362 1.362 -0.055) 1.927 20.524 ( 1.394 1.394 -5.902) 6.222 20.618 ( 5.188 5.188 -9.606) 12.087 20.693 ( 6.508 6.508 -16.901) 19.245 20.795 ( 9.034 9.034 -0.612) 12.790 20.900 ( 5.775 5.775 -10.062) 12.959 21.194 ( 3.189 3.189 -6.813) 8.171 21.414 ( 5.143 5.143 -4.977) 8.813 21.675 ( -0.210 -0.210 4.853) 4.862 21.829 ( 4.784 4.784 -3.196) 7.482 22.008 ( 3.218 3.218 0.558) 4.585 22.057 ( 1.615 1.615 1.827) 2.925 22.106 ( 0.594 0.594 -3.254) 3.361 22.227 ( 2.102 2.102 -2.288) 3.751 22.360 ( 1.742 1.742 2.705) 3.658 22.394 ( 0.375 0.375 -8.615) 8.631 22.465 ( 0.665 0.665 -1.306) 1.610 22.823 ( 2.117 2.117 3.435) 4.557 22.854 ( -2.582 -2.582 -1.314) 3.881 22.989 ( -2.230 -2.230 -2.334) 3.924 23.022 ( -1.564 -1.564 1.473) 2.657 23.069 ( -0.808 -0.808 -0.039) 1.144 23.198 ( -2.173 -2.173 -4.121) 5.140 23.257 ( -2.496 -2.496 -6.005) 6.965 23.350 ( -0.821 -0.821 -1.866) 2.198 23.393 ( 0.441 0.441 -2.573) 2.648 23.459 ( -0.254 -0.254 1.325) 1.373 23.534 ( -0.230 -0.230 -1.274) 1.315 23.568 ( 1.364 1.364 -2.094) 2.847 23.641 ( 0.270 0.270 5.369) 5.383 23.682 ( 0.768 0.768 -0.329) 1.135 23.869 ( -2.861 -2.861 4.178) 5.817 23.915 ( 0.202 0.202 0.748) 0.801 24.106 ( 1.059 1.059 1.626) 2.211 24.190 ( 2.293 2.293 -0.987) 3.389 24.348 ( 4.850 4.850 6.126) 9.196 24.512 ( -3.636 -3.636 -2.922) 5.914 24.600 ( -1.097 -1.097 -3.569) 3.892 24.711 ( 0.272 0.272 2.759) 2.786 24.948 ( -2.848 -2.848 -2.086) 4.536 25.049 ( -4.694 -4.694 8.682) 10.929 25.223 ( -0.253 -0.253 3.174) 3.195 25.329 ( 1.267 1.267 4.519) 4.861 25.421 ( 3.926 3.926 7.818) 9.588 25.548 ( 3.461 3.461 -2.582) 5.534 25.827 ( 3.838 3.838 -8.053) 9.712 26.023 ( -5.428 -5.428 0.793) 7.717 26.228 ( -1.187 -1.187 0.896) 1.903 26.296 ( 0.321 0.321 -0.660) 0.801 26.339 ( -0.037 -0.037 -4.293) 4.293 26.496 ( 0.336 0.336 0.712) 0.856 26.583 ( -0.846 -0.846 -0.561) 1.322 26.631 ( 1.861 1.861 1.330) 2.949 26.698 ( -1.171 -1.171 2.255) 2.798 26.972 ( -0.001 -0.001 0.459) 0.459 27.018 ( 2.045 2.045 3.916) 4.869 27.254 ( -2.791 -2.791 -1.534) 4.235 27.299 ( -2.190 -2.190 -0.231) 3.105 27.462 ( 0.451 0.451 1.250) 1.403 27.490 ( 0.657 0.657 -2.548) 2.712 27.701 ( 3.431 3.431 1.849) 5.193 27.949 ( -5.376 -5.376 -0.828) 7.648 28.065 ( -2.013 -2.013 3.667) 4.642 28.429 ( -4.431 -4.431 4.146) 7.513 28.526 ( -4.794 -4.794 5.155) 8.517 28.586 ( 1.967 1.967 2.296) 3.607 28.697 ( 0.352 0.352 0.258) 0.560 29.021 ( 5.151 5.151 4.121) 8.369 29.156 ( 7.458 7.458 2.288) 10.792 29.571 ( -3.934 -3.934 3.437) 6.540 29.685 ( -1.139 -1.139 1.061) 1.929 29.884 ( 3.465 3.465 0.744) 4.956 30.031 ( 1.564 1.564 -2.536) 3.365 30.207 ( -0.110 -0.110 0.273) 0.315 30.317 ( -1.089 -1.089 -3.064) 3.429 30.351 ( 0.705 0.705 -3.212) 3.363 30.498 ( -0.972 -0.972 -1.879) 2.328 30.521 ( -0.413 -0.413 -0.495) 0.765 30.526 ( -0.297 -0.297 0.065) 0.425 30.631 ( -2.030 -2.030 -5.331) 6.054 30.707 ( 0.784 0.784 -3.986) 4.137 30.779 ( 1.044 1.044 -5.436) 5.633 30.840 ( 0.488 0.488 -8.005) 8.035 33.452 ( 0.380 0.380 6.507) 6.529 33.521 ( -0.022 -0.022 4.589) 4.589 33.524 ( 0.123 0.123 4.471) 4.475 33.608 ( -0.597 -0.597 3.889) 3.980 ======================= Grid point 107 (26/60) ======================= q-point: ( 0.33 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( 7.510 4.194 1.538) 8.738 4.002 ( 8.335 11.945 -4.441) 15.227 4.624 ( 23.359 6.473 36.825) 44.087 4.851 ( 13.276 11.335 32.907) 37.251 5.393 ( 9.126 -0.838 13.854) 16.611 5.804 ( 16.535 7.940 19.037) 26.436 6.117 ( -4.417 -4.167 11.320) 12.846 6.789 ( 14.103 17.851 23.873) 32.977 7.548 ( -3.641 15.548 45.312) 48.043 7.747 ( 24.607 11.744 43.647) 51.464 8.035 ( -27.377 10.175 29.615) 41.594 8.729 ( -5.228 -28.629 17.102) 33.755 9.100 ( -7.181 -5.666 9.606) 13.265 9.322 ( 13.719 -12.846 12.773) 22.724 10.141 ( -9.635 5.269 8.780) 14.060 10.222 ( -17.288 1.395 7.992) 19.097 10.437 ( 9.204 8.341 5.074) 13.417 10.685 ( -8.903 -4.065 1.861) 9.962 11.039 ( 8.344 4.937 6.129) 11.470 11.208 ( -0.791 1.827 -7.955) 8.200 11.506 ( 4.005 11.249 -5.985) 13.356 11.598 ( -3.871 -5.068 7.639) 9.951 11.968 ( -1.858 6.069 -2.717) 6.904 12.383 ( 8.197 -4.112 -12.397) 15.420 12.616 ( -2.563 -5.554 -3.341) 6.970 12.843 ( 1.532 0.649 -8.227) 8.393 12.986 ( 3.938 7.494 -7.622) 11.391 13.170 ( -6.587 1.920 -8.661) 11.050 13.287 ( 0.392 -4.335 -8.085) 9.182 13.539 ( -12.017 3.836 -25.459) 28.412 13.706 ( -4.816 -2.557 -15.449) 16.383 13.855 ( -4.007 -9.438 -12.455) 16.133 13.951 ( -3.048 -3.177 -12.593) 13.341 14.066 ( 6.926 -0.997 -13.853) 15.520 14.300 ( 3.417 -12.905 -13.331) 18.866 14.665 ( -3.989 0.426 -9.162) 10.002 14.894 ( -4.193 -2.426 -14.817) 15.589 15.133 ( -1.185 -0.492 -14.821) 14.877 15.384 ( -10.263 -6.332 3.000) 12.427 15.674 ( -5.847 8.234 -10.029) 14.232 15.908 ( 5.769 -9.829 0.824) 11.427 15.970 ( 7.544 -8.437 0.542) 11.331 16.285 ( -2.197 0.180 0.139) 2.209 16.427 ( 1.115 -8.453 1.462) 8.651 16.594 ( 3.176 1.722 3.070) 4.741 16.727 ( -4.394 0.155 9.827) 10.766 16.924 ( 2.106 0.106 4.473) 4.945 17.053 ( -5.139 -8.453 5.709) 11.421 17.089 ( -1.470 -1.635 4.327) 4.853 17.157 ( 3.657 1.066 4.320) 5.759 17.293 ( -3.341 -6.799 -0.491) 7.591 17.447 ( -6.430 2.108 0.013) 6.767 17.562 ( 1.605 0.500 2.481) 2.997 17.643 ( -2.310 -2.528 1.031) 3.576 17.807 ( -1.268 -0.937 4.714) 4.971 17.860 ( -3.518 -1.191 6.565) 7.543 17.942 ( -2.003 -0.803 12.062) 12.254 18.015 ( 0.809 -4.861 -0.579) 4.962 18.129 ( -4.199 2.336 5.921) 7.626 18.266 ( 0.171 -0.674 4.570) 4.623 18.284 ( -2.900 -5.933 5.246) 8.434 18.346 ( 3.092 0.767 6.319) 7.077 18.497 ( 3.159 -4.022 -0.280) 5.122 18.552 ( -1.138 -2.476 -8.789) 9.202 18.663 ( 1.537 -1.407 -3.056) 3.699 18.800 ( -4.786 -8.465 -9.193) 13.382 19.018 ( -2.778 5.900 7.635) 10.041 19.309 ( -5.464 7.027 2.628) 9.281 19.376 ( 1.498 -2.091 5.030) 5.650 19.463 ( -3.339 4.599 4.704) 7.378 19.553 ( 0.845 -0.495 3.485) 3.620 19.748 ( 0.089 11.541 2.634) 11.838 19.912 ( -1.299 0.937 0.043) 1.602 20.104 ( -7.843 16.061 1.839) 17.968 20.377 ( -4.508 0.858 -16.663) 17.283 20.461 ( -0.319 1.289 -1.186) 1.781 20.657 ( 9.047 -0.521 -3.729) 9.799 20.744 ( 11.187 0.139 -0.941) 11.227 20.879 ( 5.718 1.238 -8.027) 9.933 20.978 ( 10.133 4.410 -6.690) 12.918 21.109 ( 9.786 -1.077 -4.603) 10.867 21.262 ( 6.263 -1.610 -1.738) 6.697 21.376 ( -1.185 5.016 -6.757) 8.499 21.752 ( 3.400 7.766 -3.278) 9.089 21.897 ( 0.361 -0.204 -4.250) 4.270 22.054 ( -1.208 6.069 -0.698) 6.228 22.091 ( 4.879 -1.928 -4.959) 7.219 22.181 ( 5.669 1.871 -0.956) 6.046 22.279 ( 2.254 2.444 -4.313) 5.446 22.358 ( 1.651 0.209 0.682) 1.798 22.419 ( 0.176 1.833 -4.606) 4.961 22.471 ( -1.015 1.821 -0.400) 2.123 22.725 ( -5.375 -4.000 3.850) 7.728 22.803 ( -5.255 -3.096 -1.340) 6.244 22.967 ( -1.363 0.052 -0.192) 1.377 23.058 ( 0.911 -2.362 -2.205) 3.357 23.078 ( 2.826 2.157 -2.856) 4.560 23.150 ( -2.782 -1.598 -4.234) 5.312 23.227 ( 0.349 -1.250 -5.308) 5.464 23.288 ( -3.210 2.393 -2.688) 4.822 23.420 ( -0.264 -2.537 1.545) 2.982 23.439 ( 0.383 -2.058 3.345) 3.946 23.540 ( 0.231 0.247 -0.459) 0.571 23.604 ( 2.032 1.179 -0.367) 2.378 23.646 ( -1.213 -0.482 2.486) 2.808 23.669 ( -0.606 -0.428 0.999) 1.244 23.829 ( -1.527 -2.464 4.986) 5.768 23.925 ( 0.427 1.923 2.675) 3.322 24.117 ( 1.449 -1.059 1.182) 2.149 24.257 ( 3.961 2.778 -1.362) 5.026 24.385 ( -1.847 -2.205 0.983) 3.039 24.491 ( -0.804 3.332 2.022) 3.979 24.564 ( 0.288 -0.501 -1.727) 1.821 24.714 ( -0.257 1.452 5.251) 5.454 24.894 ( -2.270 -2.165 1.382) 3.428 24.957 ( -4.349 -0.953 4.854) 6.586 25.240 ( 1.218 -0.818 3.321) 3.631 25.347 ( 1.041 1.340 3.697) 4.068 25.509 ( 5.404 1.212 6.256) 8.355 25.629 ( 4.292 -1.313 -4.475) 6.338 25.857 ( -6.206 -0.703 1.751) 6.487 25.944 ( 2.505 3.161 -3.155) 5.121 26.198 ( -1.692 -1.550 2.188) 3.171 26.254 ( -3.164 -0.332 -0.112) 3.183 26.379 ( 2.196 -1.400 -3.180) 4.111 26.458 ( -3.164 -6.943 -1.908) 7.865 26.611 ( 3.543 3.967 -1.259) 5.466 26.658 ( -0.179 -2.107 2.479) 3.258 26.721 ( 3.602 3.651 -1.534) 5.354 26.921 ( -4.111 -1.293 0.467) 4.335 27.041 ( 0.409 1.856 -0.349) 1.932 27.187 ( -5.137 0.998 -2.539) 5.817 27.326 ( 5.142 -1.780 1.035) 5.539 27.442 ( -1.038 0.575 -0.421) 1.259 27.532 ( 2.851 -0.278 1.509) 3.238 27.745 ( -2.161 -0.357 3.833) 4.414 27.852 ( -1.485 1.212 -1.097) 2.209 28.001 ( -4.420 1.240 2.772) 5.363 28.348 ( -3.880 -6.342 5.828) 9.447 28.437 ( -3.418 -4.279 5.677) 7.888 28.633 ( 2.654 -0.590 1.731) 3.223 28.707 ( 0.092 -0.846 0.527) 1.001 29.137 ( 6.498 3.390 3.355) 8.061 29.272 ( 3.532 5.026 0.096) 6.144 29.512 ( -1.405 -0.776 3.952) 4.266 29.638 ( -3.430 1.417 1.192) 3.898 29.961 ( 4.128 1.359 0.015) 4.346 30.058 ( 0.907 1.696 -1.792) 2.629 30.212 ( 0.805 -0.711 -0.395) 1.144 30.284 ( -2.244 -1.050 -2.458) 3.491 30.373 ( 1.597 0.031 -2.890) 3.302 30.470 ( -2.333 -0.798 -2.156) 3.275 30.506 ( -0.690 -0.586 -0.810) 1.215 30.519 ( -0.383 -0.608 -1.035) 1.260 30.605 ( -0.716 -2.448 -5.303) 5.885 30.709 ( -0.211 2.226 -3.703) 4.326 30.808 ( 1.733 0.007 -5.573) 5.836 30.845 ( -0.094 0.075 -6.780) 6.781 33.463 ( 0.809 0.474 6.023) 6.095 33.505 ( -1.104 0.736 4.943) 5.118 33.543 ( 1.250 -0.717 4.394) 4.625 33.592 ( -1.067 -0.594 4.027) 4.208 ======================= Grid point 108 (27/60) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.834 ( 0.000 -1.487 -2.739) 3.117 4.066 ( 0.000 11.294 -7.023) 13.300 4.888 ( 0.000 3.402 20.608) 20.887 4.972 ( 0.000 9.660 24.499) 26.335 5.571 ( 0.000 -7.638 20.102) 21.504 5.804 ( -0.000 4.443 15.399) 16.027 6.445 ( -0.000 7.341 23.915) 25.017 6.630 ( 0.000 11.419 32.395) 34.349 7.364 ( 0.000 6.593 26.038) 26.860 7.628 ( -0.000 17.856 33.484) 37.948 8.538 ( 0.000 0.538 22.802) 22.808 8.635 ( 0.000 -18.501 9.179) 20.653 9.106 ( 0.000 14.357 41.906) 44.297 9.508 ( 0.000 -5.521 6.721) 8.698 9.747 ( 0.000 12.911 28.960) 31.708 9.910 ( 0.000 -5.861 9.938) 11.537 10.553 ( -0.000 -8.026 1.102) 8.102 10.584 ( 0.000 0.309 -1.745) 1.772 11.123 ( -0.000 10.971 -4.041) 11.691 11.275 ( 0.000 -5.998 -7.384) 9.513 11.510 ( 0.000 4.615 0.577) 4.651 11.745 ( 0.000 3.928 10.970) 11.652 11.913 ( -0.000 2.311 12.426) 12.639 12.236 ( 0.000 3.548 0.434) 3.575 12.789 ( 0.000 -2.170 -13.703) 13.874 12.862 ( 0.000 -4.019 -9.561) 10.372 13.051 ( 0.000 -1.949 -5.847) 6.164 13.145 ( -0.000 10.309 -27.997) 29.835 13.152 ( 0.000 -0.261 -18.038) 18.040 13.360 ( 0.000 10.742 -9.523) 14.356 13.721 ( 0.000 -11.636 -21.305) 24.276 13.754 ( -0.000 -15.658 -16.280) 22.588 13.946 ( 0.000 -2.845 -8.417) 8.885 14.187 ( 0.000 -7.081 -17.419) 18.803 14.394 ( -0.000 -9.041 -12.317) 15.279 14.526 ( 0.000 2.241 -4.073) 4.649 14.880 ( 0.000 -0.502 -11.833) 11.843 15.142 ( 0.000 0.317 -12.394) 12.398 15.256 ( 0.000 -6.980 -0.037) 6.980 15.613 ( 0.000 11.016 -6.372) 12.726 15.997 ( 0.000 -8.628 0.792) 8.664 16.026 ( 0.000 -11.494 1.157) 11.552 16.283 ( 0.000 -7.235 3.815) 8.179 16.377 ( 0.000 -9.723 -4.398) 10.671 16.671 ( 0.000 -0.806 6.953) 7.000 16.680 ( -0.000 -0.225 12.876) 12.878 16.977 ( -0.000 0.073 4.981) 4.981 17.005 ( 0.000 -4.548 -1.486) 4.784 17.074 ( -0.000 -0.596 -0.316) 0.675 17.171 ( 0.000 -5.159 -1.602) 5.402 17.292 ( 0.000 5.218 -2.313) 5.708 17.352 ( 0.000 -3.312 -1.254) 3.541 17.576 ( 0.000 -1.565 -0.654) 1.696 17.622 ( -0.000 0.209 0.105) 0.234 17.780 ( 0.000 1.098 3.905) 4.057 17.811 ( -0.000 -5.566 9.595) 11.093 17.931 ( 0.000 -0.775 14.362) 14.383 17.976 ( 0.000 1.160 0.790) 1.404 18.141 ( 0.000 -8.434 4.523) 9.570 18.186 ( -0.000 -5.729 8.356) 10.131 18.317 ( 0.000 0.603 2.003) 2.092 18.358 ( 0.000 2.034 7.599) 7.866 18.489 ( 0.000 -6.304 -0.131) 6.305 18.621 ( 0.000 -6.418 -15.927) 17.172 18.678 ( 0.000 -2.023 -13.539) 13.690 18.849 ( 0.000 -7.226 3.382) 7.978 18.881 ( -0.000 8.112 7.369) 10.959 19.224 ( 0.000 13.233 8.153) 15.543 19.411 ( 0.000 5.400 4.777) 7.210 19.412 ( -0.000 -4.145 8.466) 9.426 19.578 ( 0.000 -0.355 5.663) 5.674 19.773 ( -0.000 16.372 9.344) 18.851 19.882 ( 0.000 11.407 0.346) 11.412 20.026 ( 0.000 12.920 -5.197) 13.926 20.326 ( 0.000 -0.138 -19.453) 19.454 20.455 ( 0.000 -2.607 -7.136) 7.597 20.786 ( 0.000 2.552 -7.988) 8.386 20.824 ( 0.000 -5.379 -3.195) 6.257 20.912 ( 0.000 4.592 5.902) 7.478 21.073 ( 0.000 7.882 -11.055) 13.577 21.219 ( 0.000 -3.492 -0.297) 3.505 21.253 ( -0.000 -5.541 -7.981) 9.716 21.603 ( 0.000 0.313 0.073) 0.321 21.658 ( -0.000 11.720 -0.870) 11.752 21.908 ( 0.000 1.645 -7.486) 7.664 22.022 ( 0.000 6.069 -1.416) 6.232 22.140 ( 0.000 -3.416 -6.808) 7.617 22.263 ( 0.000 2.214 -0.842) 2.369 22.279 ( 0.000 -0.177 -4.416) 4.419 22.380 ( 0.000 2.659 1.893) 3.264 22.415 ( 0.000 0.010 -2.414) 2.414 22.459 ( 0.000 3.743 -2.193) 4.338 22.691 ( 0.000 -4.622 -3.550) 5.828 22.742 ( 0.000 -1.241 -3.419) 3.637 22.991 ( -0.000 0.369 1.698) 1.738 22.991 ( 0.000 0.152 0.194) 0.247 23.091 ( 0.000 -3.436 -4.108) 5.356 23.131 ( 0.000 -2.155 -4.307) 4.816 23.259 ( 0.000 1.420 -2.299) 2.703 23.261 ( -0.000 3.092 -2.882) 4.227 23.404 ( 0.000 -2.087 3.057) 3.702 23.463 ( -0.000 -4.147 2.954) 5.092 23.540 ( -0.000 0.979 0.548) 1.122 23.599 ( 0.000 -0.952 0.004) 0.952 23.644 ( 0.000 -0.562 -2.059) 2.134 23.666 ( 0.000 1.742 4.746) 5.055 23.813 ( -0.000 -2.794 5.696) 6.344 23.927 ( 0.000 2.447 3.728) 4.459 24.144 ( 0.000 -3.130 -0.734) 3.214 24.292 ( 0.000 -0.237 -1.430) 1.450 24.404 ( -0.000 0.161 2.330) 2.336 24.411 ( 0.000 3.132 -2.657) 4.108 24.602 ( 0.000 0.538 4.650) 4.681 24.704 ( 0.000 3.167 5.964) 6.753 24.876 ( 0.000 -2.230 4.508) 5.029 24.910 ( 0.000 0.881 0.868) 1.237 25.252 ( 0.000 -1.489 3.878) 4.154 25.360 ( 0.000 1.382 2.599) 2.943 25.608 ( 0.000 -2.522 0.296) 2.539 25.643 ( 0.000 -0.226 4.021) 4.027 25.766 ( -0.000 -2.105 -1.768) 2.749 25.988 ( 0.000 5.565 0.370) 5.578 26.171 ( 0.000 -2.075 2.038) 2.908 26.226 ( 0.000 0.832 -0.125) 0.842 26.408 ( -0.000 -4.601 -2.134) 5.072 26.411 ( 0.000 -5.294 -3.764) 6.496 26.632 ( 0.000 0.756 -0.269) 0.803 26.697 ( 0.000 3.677 -0.235) 3.685 26.748 ( -0.000 -2.082 -1.171) 2.389 26.872 ( 0.000 1.172 0.802) 1.420 27.058 ( 0.000 2.013 -3.639) 4.159 27.112 ( -0.000 1.683 -2.035) 2.641 27.388 ( 0.000 -1.367 -1.597) 2.102 27.439 ( 0.000 0.239 1.353) 1.374 27.615 ( -0.000 -2.342 3.607) 4.301 27.627 ( 0.000 0.889 3.195) 3.316 27.910 ( 0.000 3.257 0.791) 3.352 27.913 ( -0.000 3.070 2.519) 3.971 28.307 ( 0.000 -6.816 5.826) 8.967 28.407 ( 0.000 -5.101 5.752) 7.688 28.667 ( 0.000 -1.217 1.607) 2.016 28.701 ( 0.000 -1.359 0.891) 1.626 29.226 ( 0.000 1.010 1.656) 1.940 29.275 ( -0.000 4.552 1.829) 4.906 29.522 ( 0.000 1.424 1.144) 1.827 29.587 ( 0.000 2.672 3.250) 4.208 30.011 ( -0.000 0.437 -1.028) 1.117 30.059 ( 0.000 2.198 -0.696) 2.306 30.240 ( -0.000 -1.177 -1.605) 1.990 30.241 ( 0.000 -1.040 -1.475) 1.804 30.405 ( 0.000 -0.960 -2.615) 2.785 30.427 ( 0.000 0.272 -2.496) 2.510 30.502 ( 0.000 -0.970 -1.087) 1.456 30.515 ( 0.000 -0.738 -1.454) 1.631 30.599 ( 0.000 -2.524 -5.013) 5.612 30.707 ( 0.000 2.582 -3.510) 4.358 30.834 ( 0.000 -0.126 -5.964) 5.966 30.835 ( 0.000 -0.099 -5.963) 5.964 33.479 ( 0.000 0.438 5.415) 5.433 33.487 ( -0.000 0.806 5.515) 5.574 33.563 ( -0.000 -0.935 4.157) 4.261 33.574 ( 0.000 -0.404 4.264) 4.283 ======================= Grid point 114 (28/60) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( 0.822 0.822 -1.645) 2.014 4.203 ( 7.022 7.022 -11.028) 14.840 4.828 ( 12.841 12.841 26.867) 32.429 5.087 ( 11.589 11.589 28.483) 32.862 5.372 ( 0.088 0.088 12.018) 12.018 5.920 ( -5.720 -5.720 12.224) 14.658 6.226 ( 25.609 25.609 26.119) 44.653 7.092 ( 13.129 13.129 22.316) 29.030 7.587 ( -11.179 -11.179 20.654) 26.010 8.078 ( -8.411 -8.411 19.910) 23.192 8.186 ( -0.071 -0.071 29.247) 29.247 8.405 ( 19.390 19.390 38.147) 46.980 8.907 ( -4.261 -4.261 8.557) 10.465 9.284 ( 7.364 7.364 31.307) 32.994 9.897 ( -14.001 -14.001 11.781) 23.040 10.376 ( 5.368 5.368 -0.168) 7.594 10.567 ( 3.377 3.377 0.363) 4.790 10.829 ( 6.683 6.683 19.961) 22.086 11.060 ( -6.198 -6.198 -0.971) 8.819 11.260 ( 11.102 11.102 9.385) 18.291 11.506 ( 0.397 0.397 0.302) 0.637 11.696 ( 2.117 2.117 6.064) 6.763 12.041 ( -0.860 -0.860 -6.404) 6.519 12.329 ( -0.124 -0.124 -11.615) 11.616 12.566 ( 2.104 2.104 -6.414) 7.070 12.765 ( -6.571 -6.571 -2.596) 9.649 12.928 ( -11.244 -11.244 -2.107) 16.041 13.220 ( 1.993 1.993 -15.514) 15.768 13.296 ( 6.527 6.527 -11.210) 14.521 13.508 ( -13.052 -13.052 -20.028) 27.236 13.650 ( -2.693 -2.693 -16.191) 16.633 13.770 ( -6.178 -6.178 -25.307) 26.773 13.843 ( -2.858 -2.858 -13.364) 13.962 13.946 ( -9.551 -9.551 -13.525) 19.114 14.147 ( 5.674 5.674 -3.129) 8.612 14.714 ( -1.405 -1.405 1.527) 2.506 14.882 ( 2.675 2.675 -8.954) 9.720 15.071 ( -3.717 -3.717 -11.173) 12.348 15.233 ( -7.716 -7.716 2.449) 11.183 15.782 ( 0.492 0.492 -1.923) 2.045 15.793 ( 0.774 0.774 -5.038) 5.155 15.909 ( 0.452 0.452 -5.264) 5.302 16.194 ( -8.785 -8.785 -3.934) 13.031 16.281 ( -6.339 -6.339 10.753) 14.000 16.631 ( -3.235 -3.235 3.394) 5.696 16.700 ( 2.511 2.511 5.250) 6.339 16.933 ( 1.209 1.209 1.912) 2.565 17.001 ( 5.238 5.238 -2.893) 7.952 17.057 ( -3.285 -3.285 1.889) 5.015 17.160 ( -2.344 -2.344 0.984) 3.457 17.259 ( 3.869 3.869 1.167) 5.595 17.478 ( -1.622 -1.622 -1.276) 2.625 17.519 ( -1.692 -1.692 0.689) 2.490 17.611 ( 0.104 0.104 -3.168) 3.171 17.748 ( -4.341 -4.341 1.659) 6.359 17.820 ( -3.839 -3.839 1.227) 5.567 17.870 ( -4.416 -4.416 7.669) 9.890 17.937 ( -2.559 -2.559 -1.273) 3.836 18.100 ( -4.834 -4.834 8.585) 10.974 18.159 ( -4.351 -4.351 -0.272) 6.159 18.291 ( -5.070 -5.070 0.882) 7.225 18.343 ( 0.889 0.889 0.564) 1.378 18.495 ( 5.160 5.160 3.351) 8.030 18.526 ( 0.090 0.090 -4.670) 4.671 18.650 ( 0.313 0.313 -11.068) 11.077 18.727 ( 0.837 0.837 1.034) 1.572 19.117 ( -0.913 -0.913 4.182) 4.377 19.245 ( -2.814 -2.814 5.934) 7.145 19.332 ( -3.283 -3.283 7.045) 8.438 19.571 ( 2.910 2.910 5.213) 6.641 19.599 ( 3.694 3.694 8.800) 10.234 19.726 ( -3.092 -3.092 2.017) 4.815 20.013 ( 3.454 3.454 1.054) 4.997 20.316 ( 0.452 0.452 -23.542) 23.550 20.535 ( 5.944 5.944 9.550) 12.722 20.574 ( 3.287 3.287 8.530) 9.715 20.603 ( 6.914 6.914 2.956) 10.215 20.776 ( 7.116 7.116 -10.359) 14.442 20.927 ( 2.184 2.184 -8.948) 9.466 21.084 ( 5.109 5.109 0.937) 7.285 21.143 ( 4.527 4.527 -9.793) 11.700 21.228 ( -0.362 -0.362 -3.044) 3.087 21.461 ( 4.828 4.828 -8.449) 10.863 21.879 ( 4.256 4.256 -4.315) 7.405 21.925 ( 1.314 1.314 -8.291) 8.496 22.087 ( 2.849 2.849 -2.064) 4.527 22.139 ( 1.004 1.004 -1.819) 2.308 22.256 ( 3.355 3.355 -2.273) 5.262 22.290 ( 0.407 0.407 -5.759) 5.787 22.375 ( -0.673 -0.673 -0.994) 1.376 22.400 ( -2.583 -2.583 0.240) 3.661 22.499 ( 2.380 2.380 -1.348) 3.625 22.662 ( -0.945 -0.945 -1.597) 2.083 22.748 ( -3.072 -3.072 -1.625) 4.639 22.967 ( -0.001 -0.001 -1.391) 1.391 23.005 ( -1.918 -1.918 -4.105) 4.920 23.103 ( -2.339 -2.339 -6.803) 7.564 23.110 ( -1.437 -1.437 -1.610) 2.593 23.257 ( 4.203 4.203 -3.353) 6.824 23.310 ( -0.952 -0.952 2.696) 3.013 23.368 ( -1.666 -1.666 6.014) 6.459 23.392 ( -1.811 -1.811 6.528) 7.012 23.522 ( -1.551 -1.551 1.024) 2.420 23.585 ( -3.081 -3.081 -2.292) 4.923 23.662 ( 2.427 2.427 -2.829) 4.448 23.694 ( 2.004 2.004 5.556) 6.237 23.795 ( -1.413 -1.413 3.342) 3.893 23.970 ( 2.384 2.384 1.502) 3.691 24.090 ( -1.189 -1.189 1.738) 2.418 24.273 ( -2.248 -2.248 -0.223) 3.188 24.354 ( 1.174 1.174 0.318) 1.691 24.500 ( -3.351 -3.351 -0.839) 4.813 24.617 ( 5.429 5.429 2.324) 8.022 24.737 ( 0.951 0.951 7.552) 7.670 24.849 ( -2.286 -2.286 3.187) 4.540 24.943 ( -0.189 -0.189 -0.036) 0.270 25.258 ( 1.661 1.661 2.975) 3.790 25.340 ( -0.888 -0.888 4.088) 4.277 25.537 ( 1.559 1.559 3.932) 4.508 25.620 ( 0.235 0.235 -2.773) 2.793 25.825 ( -2.980 -2.980 5.601) 7.009 26.005 ( 3.627 3.627 -0.996) 5.226 26.165 ( -2.101 -2.101 2.786) 4.072 26.246 ( -0.616 -0.616 -1.935) 2.122 26.317 ( -4.257 -4.257 -0.033) 6.021 26.387 ( -0.980 -0.980 -5.110) 5.295 26.596 ( -3.159 -3.159 1.066) 4.593 26.685 ( 3.474 3.474 -0.052) 4.913 26.805 ( 4.047 4.047 -2.944) 6.436 26.873 ( -1.826 -1.826 -3.105) 4.038 27.086 ( 1.780 1.780 -0.922) 2.680 27.198 ( -1.997 -1.997 -3.827) 4.757 27.318 ( 2.767 2.767 0.541) 3.951 27.430 ( -1.386 -1.386 -3.043) 3.620 27.548 ( 0.923 0.923 4.628) 4.808 27.706 ( -2.738 -2.738 3.303) 5.090 27.908 ( 4.143 4.143 1.256) 5.991 28.012 ( -0.439 -0.439 3.280) 3.339 28.243 ( -4.469 -4.469 8.026) 10.216 28.323 ( -6.310 -6.310 7.934) 11.940 28.630 ( 0.654 0.654 -0.059) 0.927 28.691 ( -1.281 -1.281 -0.229) 1.826 29.209 ( 3.553 3.553 3.550) 6.153 29.348 ( 2.606 2.606 0.730) 3.757 29.527 ( 2.365 2.365 2.694) 4.295 29.639 ( -1.320 -1.320 -0.185) 1.876 30.005 ( 3.014 3.014 0.420) 4.283 30.092 ( 1.491 1.491 -1.095) 2.376 30.197 ( -0.532 -0.532 -0.925) 1.193 30.253 ( -2.223 -2.223 -2.220) 3.848 30.378 ( 0.459 0.459 -3.044) 3.113 30.449 ( -1.408 -1.408 -2.981) 3.585 30.495 ( -0.799 -0.799 -0.228) 1.153 30.497 ( -1.017 -1.017 -1.974) 2.442 30.574 ( -0.831 -0.831 -5.166) 5.298 30.739 ( 0.916 0.916 -3.098) 3.358 30.816 ( 0.813 0.813 -5.452) 5.571 30.844 ( -0.305 -0.305 -5.983) 5.999 33.477 ( 0.923 0.923 5.600) 5.751 33.520 ( -0.050 -0.050 4.899) 4.900 33.528 ( 0.046 0.046 4.565) 4.566 33.577 ( -1.020 -1.020 4.247) 4.485 ======================= Grid point 115 (29/60) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 0.000 -0.605 -2.399) 2.474 4.263 ( 0.000 8.403 -10.001) 13.063 4.969 ( 0.000 4.623 14.794) 15.500 5.191 ( 0.000 12.022 22.258) 25.297 5.416 ( 0.000 -7.835 20.587) 22.027 5.811 ( 0.000 -3.372 10.697) 11.216 6.765 ( 0.000 25.927 20.844) 33.267 6.949 ( 0.000 22.063 33.382) 40.014 7.497 ( 0.000 3.300 19.480) 19.758 7.918 ( 0.000 -5.347 16.899) 17.725 8.173 ( 0.000 -6.607 25.299) 26.148 8.530 ( 0.000 1.193 17.062) 17.104 9.139 ( -0.000 -20.896 18.283) 27.766 9.204 ( 0.000 -23.290 11.870) 26.141 10.184 ( -0.000 39.721 34.407) 52.551 10.253 ( 0.000 34.158 31.595) 46.530 10.475 ( 0.000 2.276 -3.604) 4.262 10.671 ( 0.000 8.470 2.830) 8.930 11.035 ( 0.000 -10.710 9.338) 14.210 11.415 ( -0.000 17.993 -2.639) 18.186 11.649 ( 0.000 4.914 -7.883) 9.289 11.737 ( 0.000 -7.200 18.457) 19.812 12.027 ( 0.000 -1.307 19.392) 19.436 12.181 ( -0.000 -9.558 -15.634) 18.324 12.701 ( -0.000 -18.892 3.652) 19.242 12.705 ( 0.000 -7.803 -11.490) 13.889 12.795 ( -0.000 -8.964 -7.621) 11.765 13.236 ( 0.000 6.189 -19.537) 20.494 13.258 ( 0.000 0.477 -30.672) 30.676 13.428 ( 0.000 -8.409 -11.632) 14.353 13.563 ( 0.000 -6.183 -21.364) 22.240 13.645 ( 0.000 9.383 -13.665) 16.576 13.843 ( 0.000 -19.365 -20.892) 28.486 13.909 ( -0.000 -3.465 -8.567) 9.241 14.277 ( 0.000 -0.003 -7.858) 7.858 14.630 ( 0.000 3.793 4.204) 5.662 14.930 ( 0.000 5.023 -5.387) 7.366 15.061 ( 0.000 -5.202 -9.067) 10.453 15.141 ( 0.000 -5.010 3.213) 5.952 15.766 ( 0.000 4.724 -3.182) 5.696 15.869 ( -0.000 -4.425 -9.963) 10.901 15.871 ( 0.000 -4.340 2.185) 4.859 16.138 ( 0.000 -12.754 -3.002) 13.102 16.165 ( -0.000 -6.315 9.543) 11.443 16.585 ( 0.000 -4.759 4.991) 6.896 16.751 ( 0.000 8.194 5.090) 9.646 16.972 ( -0.000 -0.235 1.511) 1.530 17.009 ( 0.000 -0.683 -3.846) 3.906 17.084 ( 0.000 1.568 -3.922) 4.224 17.129 ( 0.000 -1.571 -2.124) 2.642 17.316 ( 0.000 5.148 0.439) 5.166 17.393 ( 0.000 -0.287 -3.794) 3.805 17.569 ( 0.000 0.453 -5.127) 5.147 17.595 ( 0.000 3.397 -0.150) 3.400 17.711 ( 0.000 -4.710 3.880) 6.102 17.735 ( -0.000 -4.910 1.974) 5.292 17.860 ( -0.000 -7.305 2.881) 7.853 17.918 ( 0.000 -4.568 0.723) 4.625 18.039 ( 0.000 -3.766 2.513) 4.528 18.090 ( 0.000 -5.007 0.702) 5.056 18.225 ( 0.000 -6.958 4.201) 8.128 18.344 ( 0.000 -5.046 -2.781) 5.761 18.533 ( 0.000 6.564 0.885) 6.624 18.567 ( 0.000 2.813 -1.527) 3.200 18.657 ( 0.000 -1.037 -10.319) 10.371 18.782 ( 0.000 1.357 0.197) 1.372 19.042 ( 0.000 1.784 4.536) 4.875 19.212 ( 0.000 -1.743 9.129) 9.294 19.332 ( 0.000 -4.853 10.434) 11.508 19.574 ( 0.000 9.312 7.086) 11.701 19.616 ( 0.000 2.597 9.282) 9.639 19.743 ( 0.000 -6.163 3.679) 7.178 20.045 ( 0.000 0.147 0.063) 0.160 20.290 ( 0.000 0.835 -29.764) 29.776 20.529 ( 0.000 7.670 3.306) 8.352 20.544 ( 0.000 17.667 9.762) 20.185 20.789 ( 0.000 7.092 5.755) 9.133 20.848 ( -0.000 7.150 -9.428) 11.833 20.966 ( 0.000 0.155 -5.950) 5.952 21.147 ( 0.000 -0.754 1.989) 2.128 21.187 ( 0.000 -0.513 4.698) 4.726 21.231 ( -0.000 5.165 -21.097) 21.720 21.565 ( 0.000 -4.616 -0.931) 4.709 21.887 ( 0.000 11.388 -4.913) 12.403 21.937 ( 0.000 3.583 -8.976) 9.665 22.122 ( 0.000 4.229 -2.056) 4.702 22.134 ( -0.000 -0.228 -0.678) 0.715 22.252 ( 0.000 -2.479 -5.365) 5.910 22.307 ( 0.000 -8.501 2.616) 8.894 22.328 ( 0.000 -4.368 -6.332) 7.692 22.406 ( 0.000 7.130 -3.103) 7.776 22.562 ( 0.000 5.735 -1.877) 6.035 22.648 ( -0.000 0.978 -3.991) 4.109 22.721 ( 0.000 -1.733 -5.056) 5.344 22.955 ( 0.000 -4.699 -3.599) 5.919 22.998 ( 0.000 1.169 -0.689) 1.357 23.059 ( -0.000 0.034 -4.312) 4.313 23.091 ( 0.000 -2.031 -4.947) 5.347 23.270 ( 0.000 -0.778 5.757) 5.809 23.329 ( 0.000 3.415 1.776) 3.849 23.366 ( 0.000 -4.978 6.155) 7.916 23.378 ( 0.000 -0.213 6.127) 6.130 23.501 ( -0.000 -2.515 -0.931) 2.682 23.544 ( 0.000 -4.078 -0.842) 4.164 23.699 ( 0.000 3.970 -2.996) 4.974 23.709 ( 0.000 2.028 5.994) 6.327 23.780 ( -0.000 -0.798 2.058) 2.208 23.990 ( 0.000 4.286 2.078) 4.763 24.087 ( -0.000 -2.916 0.859) 3.040 24.232 ( 0.000 -4.718 0.315) 4.728 24.401 ( 0.000 -0.362 3.906) 3.923 24.435 ( 0.000 -0.801 -4.088) 4.165 24.676 ( 0.000 5.672 3.257) 6.541 24.745 ( 0.000 1.187 8.602) 8.683 24.825 ( 0.000 -2.989 3.399) 4.526 24.946 ( 0.000 2.666 -2.865) 3.913 25.265 ( 0.000 2.660 4.419) 5.158 25.343 ( 0.000 -2.700 2.482) 3.668 25.560 ( 0.000 -1.715 -3.384) 3.793 25.619 ( 0.000 -2.275 8.221) 8.530 25.784 ( 0.000 2.708 2.046) 3.394 26.063 ( 0.000 2.449 2.995) 3.869 26.121 ( -0.000 -3.098 3.344) 4.558 26.226 ( 0.000 0.138 -1.684) 1.689 26.316 ( -0.000 -4.233 -4.909) 6.482 26.349 ( 0.000 -3.230 -2.388) 4.017 26.568 ( 0.000 -3.571 0.443) 3.599 26.724 ( 0.000 0.364 1.066) 1.126 26.818 ( -0.000 6.237 -4.204) 7.521 26.891 ( 0.000 0.559 -3.593) 3.636 27.124 ( 0.000 -0.335 -3.557) 3.573 27.131 ( -0.000 4.806 -3.407) 5.891 27.373 ( 0.000 -0.076 -2.363) 2.364 27.416 ( 0.000 -2.434 -1.230) 2.727 27.540 ( 0.000 -5.171 2.381) 5.693 27.684 ( 0.000 4.811 6.869) 8.386 27.977 ( 0.000 3.435 3.527) 4.923 27.983 ( -0.000 4.052 2.356) 4.687 28.192 ( 0.000 -4.994 8.366) 9.743 28.259 ( -0.000 -9.280 8.431) 12.538 28.651 ( 0.000 -0.660 -0.349) 0.747 28.664 ( -0.000 -1.983 -0.462) 2.036 29.246 ( 0.000 0.920 2.628) 2.784 29.371 ( -0.000 4.927 3.493) 6.039 29.569 ( -0.000 2.844 -0.810) 2.957 29.610 ( 0.000 -0.208 0.819) 0.845 30.044 ( -0.000 2.838 0.231) 2.848 30.101 ( 0.000 2.149 -0.217) 2.160 30.208 ( -0.000 -2.013 -1.837) 2.725 30.212 ( 0.000 -2.075 -1.584) 2.611 30.386 ( 0.000 -0.944 -3.405) 3.534 30.428 ( 0.000 -0.224 -3.741) 3.748 30.485 ( 0.000 -0.705 -0.548) 0.893 30.491 ( 0.000 -1.360 -1.317) 1.893 30.568 ( 0.000 -0.885 -5.006) 5.084 30.746 ( 0.000 1.583 -2.923) 3.324 30.832 ( -0.000 -0.060 -5.515) 5.516 30.833 ( 0.000 -0.115 -5.491) 5.492 33.493 ( 0.000 1.020 5.066) 5.168 33.505 ( -0.000 1.054 5.270) 5.375 33.541 ( 0.000 -1.325 4.390) 4.585 33.561 ( 0.000 -0.843 4.548) 4.626 ======================= Grid point 125 (30/60) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.810 ( 0.000 0.000 -2.283) 2.283 4.345 ( 0.000 0.000 -10.742) 10.742 5.024 ( 0.000 0.000 10.957) 10.957 5.329 ( 0.000 0.000 22.432) 22.432 5.329 ( 0.000 0.000 22.432) 22.432 5.753 ( 0.000 0.000 8.942) 8.942 7.340 ( -0.000 -0.000 19.385) 19.385 7.340 ( 0.000 0.000 19.385) 19.385 7.363 ( 0.000 0.000 10.357) 10.357 7.370 ( -0.000 -0.000 29.720) 29.720 8.441 ( -0.000 -0.000 40.930) 40.930 8.733 ( 0.000 0.000 25.982) 25.982 8.753 ( -0.000 -0.000 5.307) 5.307 8.753 ( 0.000 0.000 5.307) 5.307 10.556 ( 0.000 0.000 -11.503) 11.503 10.588 ( -0.000 -0.000 2.712) 2.712 10.588 ( 0.000 0.000 2.712) 2.712 11.108 ( 0.000 0.000 43.463) 43.463 11.108 ( 0.000 0.000 43.463) 43.463 11.384 ( 0.000 0.000 26.099) 26.099 11.702 ( -0.000 -0.000 -6.801) 6.801 11.702 ( 0.000 0.000 -6.801) 6.801 11.720 ( -0.000 -0.000 32.620) 32.620 11.927 ( 0.000 0.000 -6.064) 6.064 12.448 ( 0.000 0.000 -1.631) 1.631 12.754 ( 0.000 0.000 -14.181) 14.181 12.754 ( 0.000 0.000 -14.181) 14.181 13.219 ( 0.000 0.000 -23.196) 23.196 13.315 ( 0.000 0.000 -27.077) 27.077 13.391 ( 0.000 0.000 -37.807) 37.807 13.484 ( -0.000 -0.000 -13.871) 13.871 13.484 ( 0.000 0.000 -13.871) 13.871 13.863 ( 0.000 0.000 -9.983) 9.983 13.863 ( 0.000 0.000 -9.983) 9.983 14.312 ( 0.000 0.000 -8.631) 8.631 14.644 ( 0.000 0.000 7.011) 7.011 15.017 ( 0.000 0.000 -7.684) 7.684 15.017 ( 0.000 0.000 -7.684) 7.684 15.076 ( 0.000 0.000 8.150) 8.150 15.798 ( 0.000 0.000 -14.875) 14.875 15.831 ( 0.000 0.000 3.275) 3.275 15.831 ( 0.000 0.000 3.275) 3.275 16.001 ( 0.000 0.000 -2.145) 2.145 16.089 ( 0.000 0.000 10.266) 10.266 16.555 ( 0.000 0.000 1.568) 1.568 16.888 ( 0.000 0.000 5.204) 5.204 16.973 ( 0.000 0.000 -2.061) 2.061 16.973 ( 0.000 0.000 -2.061) 2.061 17.097 ( 0.000 0.000 -6.080) 6.080 17.097 ( 0.000 0.000 -6.080) 6.080 17.314 ( 0.000 0.000 -2.171) 2.171 17.484 ( 0.000 0.000 0.702) 0.702 17.580 ( 0.000 0.000 -7.968) 7.968 17.634 ( 0.000 0.000 -0.769) 0.769 17.634 ( 0.000 0.000 -0.769) 0.769 17.740 ( -0.000 -0.000 -0.832) 0.832 17.740 ( 0.000 0.000 -0.832) 0.832 17.879 ( -0.000 -0.000 3.750) 3.750 17.996 ( 0.000 0.000 -1.216) 1.216 17.996 ( 0.000 0.000 -1.216) 1.216 18.156 ( 0.000 0.000 12.664) 12.664 18.276 ( 0.000 0.000 -6.542) 6.542 18.620 ( 0.000 0.000 -11.337) 11.337 18.626 ( 0.000 0.000 1.578) 1.578 18.626 ( 0.000 0.000 1.578) 1.578 18.832 ( 0.000 0.000 -3.272) 3.272 18.977 ( -0.000 -0.000 4.807) 4.807 19.263 ( 0.000 0.000 12.714) 12.714 19.263 ( 0.000 0.000 12.714) 12.714 19.628 ( 0.000 0.000 9.259) 9.259 19.683 ( 0.000 0.000 7.599) 7.599 19.683 ( 0.000 0.000 7.599) 7.599 20.017 ( 0.000 0.000 -2.248) 2.248 20.279 ( 0.000 0.000 -35.824) 35.824 20.575 ( 0.000 0.000 5.742) 5.742 20.649 ( 0.000 0.000 8.041) 8.041 20.954 ( -0.000 -0.000 -14.095) 14.095 20.954 ( 0.000 0.000 -14.095) 14.095 20.963 ( 0.000 0.000 16.167) 16.167 21.201 ( -0.000 -0.000 8.949) 8.949 21.201 ( 0.000 0.000 8.949) 8.949 21.268 ( 0.000 0.000 -26.155) 26.155 21.479 ( 0.000 0.000 0.041) 0.041 22.048 ( 0.000 0.000 -2.723) 2.723 22.071 ( -0.000 -0.000 -2.988) 2.988 22.071 ( 0.000 0.000 -2.988) 2.988 22.077 ( 0.000 0.000 0.223) 0.223 22.204 ( -0.000 -0.000 3.547) 3.547 22.239 ( 0.000 0.000 -13.039) 13.039 22.239 ( 0.000 0.000 -13.039) 13.039 22.525 ( 0.000 0.000 -1.259) 1.259 22.626 ( 0.000 0.000 -3.161) 3.161 22.688 ( 0.000 0.000 -4.005) 4.005 22.688 ( 0.000 0.000 -4.005) 4.005 22.872 ( 0.000 0.000 -5.683) 5.683 23.026 ( 0.000 0.000 1.865) 1.865 23.061 ( -0.000 -0.000 -8.130) 8.130 23.061 ( 0.000 0.000 -8.130) 8.130 23.244 ( 0.000 0.000 16.542) 16.542 23.328 ( 0.000 0.000 3.574) 3.574 23.346 ( 0.000 0.000 11.667) 11.667 23.418 ( 0.000 0.000 2.239) 2.239 23.478 ( 0.000 0.000 -2.970) 2.970 23.478 ( 0.000 0.000 -2.970) 2.970 23.730 ( 0.000 0.000 5.808) 5.808 23.730 ( 0.000 0.000 5.808) 5.808 23.787 ( 0.000 0.000 -7.891) 7.891 24.053 ( 0.000 0.000 2.350) 2.350 24.053 ( 0.000 0.000 2.350) 2.350 24.166 ( 0.000 0.000 0.408) 0.408 24.396 ( 0.000 0.000 4.490) 4.490 24.421 ( 0.000 0.000 -3.588) 3.588 24.755 ( -0.000 -0.000 9.797) 9.797 24.755 ( 0.000 0.000 9.797) 9.797 24.774 ( 0.000 0.000 -5.137) 5.137 24.979 ( 0.000 0.000 -5.365) 5.365 25.307 ( 0.000 0.000 3.592) 3.592 25.307 ( 0.000 0.000 3.592) 3.592 25.547 ( 0.000 0.000 -4.786) 4.786 25.586 ( 0.000 0.000 11.363) 11.363 25.819 ( 0.000 0.000 3.233) 3.233 26.083 ( 0.000 0.000 3.833) 3.833 26.083 ( 0.000 0.000 3.833) 3.833 26.262 ( -0.000 -0.000 0.963) 0.963 26.274 ( -0.000 -0.000 -5.068) 5.068 26.274 ( 0.000 0.000 -5.068) 5.068 26.541 ( 0.000 0.000 -1.018) 1.018 26.728 ( 0.000 0.000 0.528) 0.528 26.894 ( 0.000 0.000 -3.764) 3.764 26.894 ( 0.000 0.000 -3.764) 3.764 27.113 ( 0.000 0.000 -6.200) 6.200 27.189 ( 0.000 0.000 -4.671) 4.671 27.381 ( 0.000 0.000 -1.879) 1.879 27.381 ( 0.000 0.000 -1.879) 1.879 27.472 ( 0.000 0.000 2.335) 2.335 27.748 ( 0.000 0.000 8.375) 8.375 28.026 ( 0.000 0.000 3.748) 3.748 28.033 ( 0.000 0.000 2.960) 2.960 28.137 ( 0.000 0.000 9.517) 9.517 28.137 ( 0.000 0.000 9.517) 9.517 28.644 ( 0.000 0.000 -0.888) 0.888 28.644 ( 0.000 0.000 -0.888) 0.888 29.255 ( 0.000 0.000 2.808) 2.808 29.426 ( -0.000 -0.000 5.062) 5.062 29.600 ( 0.000 0.000 -1.318) 1.318 29.600 ( 0.000 0.000 -1.318) 1.318 30.084 ( 0.000 0.000 1.489) 1.489 30.128 ( -0.000 -0.000 0.162) 0.162 30.181 ( 0.000 0.000 -2.055) 2.055 30.181 ( 0.000 0.000 -2.055) 2.055 30.376 ( 0.000 0.000 -4.004) 4.004 30.423 ( 0.000 0.000 -5.430) 5.430 30.478 ( 0.000 0.000 -0.155) 0.155 30.478 ( 0.000 0.000 -0.155) 0.155 30.560 ( 0.000 0.000 -5.073) 5.073 30.762 ( 0.000 0.000 -2.667) 2.667 30.832 ( 0.000 0.000 -5.330) 5.330 30.832 ( 0.000 0.000 -5.330) 5.330 33.513 ( 0.000 0.000 4.384) 4.384 33.518 ( -0.000 -0.000 5.024) 5.024 33.518 ( 0.000 0.000 5.024) 5.024 33.550 ( 0.000 0.000 4.804) 4.804 ======================= Grid point 147 (31/60) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( 0.000 0.000 4.882) 4.882 3.511 ( 0.000 0.000 4.882) 4.882 5.374 ( 0.000 0.000 62.923) 62.923 5.374 ( 0.000 0.000 62.923) 62.923 5.398 ( 0.000 0.000 9.288) 9.288 5.465 ( 0.000 0.000 -0.454) 0.454 6.419 ( 0.000 0.000 26.376) 26.376 6.484 ( 0.000 0.000 5.662) 5.662 8.366 ( 0.000 0.000 85.916) 85.916 8.962 ( 0.000 0.000 -9.514) 9.514 8.962 ( 0.000 0.000 -9.514) 9.514 9.328 ( 0.000 0.000 44.223) 44.223 9.598 ( 0.000 0.000 10.536) 10.536 9.598 ( 0.000 0.000 10.536) 10.536 9.687 ( 0.000 0.000 -4.174) 4.174 10.632 ( 0.000 0.000 18.284) 18.284 10.632 ( 0.000 0.000 18.284) 18.284 10.719 ( 0.000 0.000 33.988) 33.988 11.116 ( 0.000 0.000 -1.672) 1.672 11.116 ( 0.000 0.000 -1.672) 1.672 11.196 ( 0.000 0.000 -6.864) 6.864 11.794 ( 0.000 0.000 0.243) 0.243 11.794 ( 0.000 0.000 0.243) 0.243 11.909 ( 0.000 0.000 -22.831) 22.831 12.247 ( 0.000 0.000 -15.511) 15.511 12.681 ( 0.000 0.000 -11.206) 11.206 12.716 ( 0.000 0.000 -40.382) 40.382 13.045 ( 0.000 0.000 -5.500) 5.500 13.045 ( 0.000 0.000 -5.500) 5.500 13.243 ( 0.000 0.000 -14.332) 14.332 13.540 ( 0.000 0.000 -3.448) 3.448 13.694 ( 0.000 0.000 -30.783) 30.783 13.694 ( 0.000 0.000 -30.783) 30.783 13.847 ( 0.000 0.000 -2.510) 2.510 14.184 ( 0.000 0.000 -10.470) 10.470 14.184 ( 0.000 0.000 -10.470) 10.470 14.873 ( 0.000 0.000 -7.245) 7.245 14.941 ( 0.000 0.000 -19.852) 19.852 15.584 ( 0.000 0.000 -6.479) 6.479 15.584 ( 0.000 0.000 -6.479) 6.479 15.717 ( 0.000 0.000 -6.282) 6.282 15.998 ( 0.000 0.000 2.725) 2.725 16.485 ( 0.000 0.000 26.889) 26.889 16.722 ( 0.000 0.000 -6.149) 6.149 16.722 ( 0.000 0.000 -6.149) 6.149 17.123 ( 0.000 0.000 16.052) 16.052 17.124 ( 0.000 0.000 11.632) 11.632 17.124 ( 0.000 0.000 11.632) 11.632 17.340 ( 0.000 0.000 -5.248) 5.248 17.340 ( 0.000 0.000 -5.248) 5.248 17.560 ( 0.000 0.000 -6.168) 6.168 17.592 ( 0.000 0.000 0.703) 0.703 17.698 ( 0.000 0.000 21.177) 21.177 17.739 ( 0.000 0.000 9.270) 9.270 17.739 ( 0.000 0.000 9.270) 9.270 17.965 ( 0.000 0.000 -14.813) 14.813 18.017 ( 0.000 0.000 -2.550) 2.550 18.017 ( 0.000 0.000 -2.550) 2.550 18.186 ( 0.000 0.000 4.737) 4.737 18.358 ( 0.000 0.000 0.827) 0.827 18.465 ( 0.000 0.000 4.980) 4.980 18.547 ( 0.000 0.000 13.691) 13.691 18.577 ( 0.000 0.000 8.059) 8.059 18.577 ( 0.000 0.000 8.059) 8.059 18.953 ( 0.000 0.000 2.196) 2.196 19.098 ( 0.000 0.000 7.118) 7.118 19.098 ( 0.000 0.000 7.118) 7.118 19.295 ( 0.000 0.000 4.423) 4.423 19.295 ( 0.000 0.000 4.423) 4.423 19.343 ( 0.000 0.000 -2.869) 2.869 19.704 ( 0.000 0.000 -19.270) 19.270 19.763 ( 0.000 0.000 -19.628) 19.628 19.918 ( 0.000 0.000 -13.035) 13.035 19.918 ( 0.000 0.000 -13.035) 13.035 20.024 ( 0.000 0.000 -20.225) 20.225 20.294 ( 0.000 0.000 -3.743) 3.743 20.433 ( 0.000 0.000 3.423) 3.423 20.470 ( 0.000 0.000 0.295) 0.295 20.470 ( 0.000 0.000 0.295) 0.295 20.602 ( 0.000 0.000 20.567) 20.567 21.058 ( 0.000 0.000 4.069) 4.069 21.165 ( 0.000 0.000 5.720) 5.720 21.165 ( 0.000 0.000 5.720) 5.720 21.463 ( 0.000 0.000 -8.350) 8.350 21.886 ( 0.000 0.000 -12.079) 12.079 21.886 ( 0.000 0.000 -12.079) 12.079 22.150 ( 0.000 0.000 9.552) 9.552 22.176 ( 0.000 0.000 6.668) 6.668 22.198 ( 0.000 0.000 4.447) 4.447 22.198 ( 0.000 0.000 4.447) 4.447 22.424 ( 0.000 0.000 0.096) 0.096 22.424 ( 0.000 0.000 0.096) 0.096 22.601 ( 0.000 0.000 -1.403) 1.403 22.788 ( 0.000 0.000 -8.331) 8.331 22.944 ( 0.000 0.000 -10.562) 10.562 23.114 ( 0.000 0.000 -0.705) 0.705 23.114 ( 0.000 0.000 -0.705) 0.705 23.118 ( 0.000 0.000 -13.101) 13.101 23.294 ( 0.000 0.000 -7.176) 7.176 23.294 ( 0.000 0.000 -7.176) 7.176 23.385 ( 0.000 0.000 3.027) 3.027 23.419 ( 0.000 0.000 1.100) 1.100 23.465 ( 0.000 0.000 2.958) 2.958 23.465 ( 0.000 0.000 2.958) 2.958 23.739 ( 0.000 0.000 5.627) 5.627 23.790 ( 0.000 0.000 6.798) 6.798 23.967 ( 0.000 0.000 -0.147) 0.147 23.981 ( 0.000 0.000 1.690) 1.690 23.981 ( 0.000 0.000 1.690) 1.690 24.187 ( 0.000 0.000 0.830) 0.830 24.407 ( 0.000 0.000 8.241) 8.241 24.543 ( 0.000 0.000 -4.405) 4.405 24.543 ( 0.000 0.000 -4.405) 4.405 24.689 ( 0.000 0.000 -0.478) 0.478 24.889 ( 0.000 0.000 -6.115) 6.115 25.203 ( 0.000 0.000 -0.091) 0.091 25.397 ( 0.000 0.000 -6.577) 6.577 25.412 ( 0.000 0.000 -1.667) 1.667 25.452 ( 0.000 0.000 8.487) 8.487 25.452 ( 0.000 0.000 8.487) 8.487 25.648 ( 0.000 0.000 6.438) 6.438 26.116 ( 0.000 0.000 -5.137) 5.137 26.116 ( 0.000 0.000 -5.137) 5.137 26.206 ( 0.000 0.000 -2.669) 2.669 26.393 ( 0.000 0.000 2.402) 2.402 26.508 ( 0.000 0.000 0.465) 0.465 26.508 ( 0.000 0.000 0.465) 0.465 26.641 ( 0.000 0.000 -2.348) 2.348 26.973 ( 0.000 0.000 11.197) 11.197 27.013 ( 0.000 0.000 3.853) 3.853 27.013 ( 0.000 0.000 3.853) 3.853 27.349 ( 0.000 0.000 -0.207) 0.207 27.389 ( 0.000 0.000 -2.318) 2.318 27.389 ( 0.000 0.000 -2.318) 2.318 27.395 ( 0.000 0.000 -1.153) 1.153 27.607 ( 0.000 0.000 -2.028) 2.028 28.090 ( 0.000 0.000 0.893) 0.893 28.192 ( 0.000 0.000 2.103) 2.103 28.533 ( 0.000 0.000 0.988) 0.988 28.533 ( 0.000 0.000 0.988) 0.988 28.727 ( 0.000 0.000 2.087) 2.087 28.727 ( 0.000 0.000 2.087) 2.087 29.036 ( 0.000 0.000 8.047) 8.047 29.116 ( 0.000 0.000 8.593) 8.593 29.770 ( 0.000 0.000 4.073) 4.073 29.770 ( 0.000 0.000 4.073) 4.073 29.805 ( 0.000 0.000 2.798) 2.798 29.942 ( 0.000 0.000 -2.063) 2.063 30.201 ( 0.000 0.000 -1.335) 1.335 30.255 ( 0.000 0.000 -4.683) 4.683 30.255 ( 0.000 0.000 -4.683) 4.683 30.464 ( 0.000 0.000 -3.587) 3.587 30.535 ( 0.000 0.000 0.044) 0.044 30.535 ( 0.000 0.000 0.044) 0.044 30.610 ( 0.000 0.000 -10.528) 10.528 30.611 ( 0.000 0.000 -3.549) 3.549 30.611 ( 0.000 0.000 -3.549) 3.549 30.639 ( 0.000 0.000 -5.689) 5.689 33.583 ( 0.000 0.000 6.579) 6.579 33.610 ( 0.000 0.000 4.241) 4.241 33.610 ( 0.000 0.000 4.241) 4.241 33.694 ( 0.000 0.000 3.477) 3.477 ======================= Grid point 148 (32/60) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.577 ( 6.255 0.000 1.752) 6.495 3.636 ( 10.487 0.000 -1.697) 10.623 5.272 ( -3.437 0.000 37.576) 37.733 5.303 ( -2.453 0.000 26.336) 26.450 5.549 ( 10.281 0.000 28.789) 30.569 5.742 ( 23.743 0.000 35.466) 42.679 6.439 ( -4.447 0.000 6.325) 7.731 6.653 ( 22.471 0.000 24.949) 33.577 8.463 ( 11.038 0.000 82.611) 83.345 8.855 ( -30.239 0.000 33.926) 45.446 8.970 ( -3.379 0.000 3.776) 5.067 9.033 ( 5.946 0.000 -7.419) 9.508 9.229 ( -20.250 0.000 5.732) 21.045 9.914 ( 7.793 0.000 -5.105) 9.316 10.016 ( 14.829 0.000 16.938) 22.512 10.316 ( -6.705 0.000 31.895) 32.592 10.564 ( -7.031 0.000 13.810) 15.497 10.929 ( 10.348 0.000 12.692) 16.376 11.041 ( -6.466 0.000 -1.697) 6.685 11.176 ( 4.376 0.000 3.403) 5.543 11.265 ( 6.303 0.000 -0.999) 6.382 11.722 ( 1.142 0.000 -5.579) 5.695 11.724 ( -8.369 0.000 -4.713) 9.605 12.180 ( -4.153 0.000 -11.367) 12.102 12.214 ( 21.204 0.000 -14.197) 25.518 12.624 ( -4.229 0.000 -11.227) 11.997 12.729 ( 1.597 0.000 -33.166) 33.205 13.020 ( -2.836 0.000 -8.112) 8.594 13.052 ( 0.871 0.000 -6.692) 6.749 13.357 ( 3.697 0.000 -7.204) 8.097 13.532 ( -4.055 0.000 -14.030) 14.605 13.625 ( -6.231 0.000 -27.727) 28.419 13.671 ( 0.772 0.000 -22.160) 22.173 13.797 ( -0.657 0.000 -3.771) 3.828 14.185 ( 0.926 0.000 -8.089) 8.142 14.285 ( 7.033 0.000 -10.888) 12.962 14.820 ( -9.634 0.000 -15.680) 18.403 14.871 ( -0.395 0.000 -8.599) 8.608 15.519 ( -5.917 0.000 -7.403) 9.477 15.678 ( 2.185 0.000 -5.158) 5.602 15.831 ( 10.357 0.000 -3.468) 10.922 15.970 ( -1.958 0.000 1.162) 2.277 16.210 ( -13.018 0.000 13.683) 18.886 16.675 ( -5.339 0.000 -6.499) 8.411 16.793 ( 0.584 0.000 5.721) 5.750 17.005 ( -8.214 0.000 7.571) 11.170 17.077 ( -4.744 0.000 11.128) 12.097 17.116 ( -0.370 0.000 10.275) 10.282 17.305 ( -3.128 0.000 -2.255) 3.857 17.396 ( 3.020 0.000 4.248) 5.212 17.429 ( -13.216 0.000 -9.551) 16.306 17.536 ( -4.159 0.000 3.727) 5.585 17.661 ( 2.681 0.000 2.986) 4.013 17.755 ( -0.204 0.000 2.461) 2.470 17.851 ( -0.116 0.000 2.501) 2.504 17.935 ( -1.477 0.000 -7.048) 7.201 18.075 ( 6.788 0.000 5.075) 8.475 18.092 ( 4.998 0.000 -7.734) 9.208 18.201 ( 2.776 0.000 7.830) 8.308 18.280 ( -7.261 0.000 13.320) 15.171 18.366 ( -4.925 0.000 -1.860) 5.265 18.414 ( -3.207 0.000 6.657) 7.389 18.573 ( -2.038 0.000 5.272) 5.652 18.732 ( 3.761 0.000 10.835) 11.469 18.862 ( -6.674 0.000 8.004) 10.421 19.074 ( -4.032 0.000 7.661) 8.657 19.116 ( 0.727 0.000 3.225) 3.306 19.242 ( 0.749 0.000 2.348) 2.464 19.331 ( 5.121 0.000 1.324) 5.290 19.451 ( 5.429 0.000 -4.026) 6.759 19.602 ( -12.132 0.000 -8.975) 15.091 19.738 ( -4.703 0.000 -10.586) 11.584 19.758 ( -4.781 0.000 -13.685) 14.496 19.952 ( 5.350 0.000 -17.072) 17.890 20.051 ( -9.026 0.000 -9.403) 13.034 20.336 ( -4.639 0.000 -6.684) 8.136 20.477 ( 5.992 0.000 -3.535) 6.957 20.493 ( 12.367 0.000 -5.609) 13.579 20.645 ( 9.005 0.000 17.430) 19.618 20.750 ( 20.575 0.000 10.722) 23.202 20.969 ( -0.982 0.000 6.071) 6.150 21.145 ( -4.181 0.000 -9.255) 10.156 21.215 ( 4.947 0.000 3.389) 5.997 21.662 ( 14.429 0.000 -1.377) 14.494 21.866 ( -1.808 0.000 -12.365) 12.497 21.889 ( -6.969 0.000 1.388) 7.106 22.000 ( 0.126 0.000 -3.149) 3.152 22.147 ( -1.874 0.000 4.437) 4.816 22.214 ( 0.297 0.000 3.909) 3.920 22.319 ( 4.308 0.000 3.963) 5.854 22.399 ( -1.792 0.000 -0.081) 1.794 22.431 ( 1.017 0.000 1.623) 1.916 22.714 ( 9.943 0.000 -3.210) 10.448 22.805 ( 0.989 0.000 -6.667) 6.740 22.885 ( -4.954 0.000 -9.119) 10.378 23.062 ( -4.108 0.000 -9.754) 10.584 23.105 ( -2.404 0.000 0.335) 2.427 23.122 ( 0.005 0.000 -3.924) 3.924 23.232 ( -4.058 0.000 -1.434) 4.304 23.292 ( -2.531 0.000 -1.156) 2.782 23.345 ( -1.222 0.000 -4.104) 4.282 23.407 ( 1.168 0.000 -2.749) 2.987 23.487 ( 1.768 0.000 3.059) 3.533 23.571 ( 6.268 0.000 3.628) 7.242 23.733 ( -0.961 0.000 3.735) 3.857 23.770 ( -2.086 0.000 4.312) 4.790 23.929 ( 0.046 0.000 2.402) 2.403 23.975 ( -0.316 0.000 3.053) 3.069 24.054 ( 3.636 0.000 0.800) 3.722 24.187 ( -0.064 0.000 -0.113) 0.129 24.434 ( 1.339 0.000 3.194) 3.463 24.507 ( -3.355 0.000 -4.062) 5.268 24.531 ( 0.604 0.000 -0.041) 0.605 24.729 ( 3.334 0.000 0.811) 3.431 24.889 ( 0.232 0.000 -4.297) 4.304 25.174 ( -3.513 0.000 1.329) 3.756 25.381 ( -0.813 0.000 3.651) 3.741 25.407 ( -0.658 0.000 6.903) 6.935 25.477 ( 4.523 0.000 -2.891) 5.368 25.518 ( 4.769 0.000 2.575) 5.420 25.673 ( 3.199 0.000 3.023) 4.402 26.033 ( -6.783 0.000 -3.775) 7.762 26.182 ( 6.062 0.000 -3.652) 7.077 26.247 ( 1.982 0.000 -2.456) 3.156 26.355 ( -3.113 0.000 1.761) 3.576 26.499 ( -0.611 0.000 -0.079) 0.616 26.548 ( 3.005 0.000 -0.186) 3.011 26.622 ( -1.877 0.000 -2.103) 2.819 26.867 ( -5.700 0.000 7.738) 9.611 26.999 ( -1.541 0.000 3.059) 3.425 27.074 ( 0.235 0.000 4.000) 4.006 27.252 ( -7.076 0.000 -2.665) 7.561 27.333 ( 0.338 0.000 0.454) 0.566 27.425 ( 1.129 0.000 -0.289) 1.166 27.473 ( 3.682 0.000 -1.382) 3.932 27.656 ( 4.641 0.000 -1.652) 4.926 28.019 ( -6.610 0.000 1.287) 6.734 28.132 ( -5.465 0.000 1.495) 5.666 28.542 ( -0.086 0.000 2.491) 2.493 28.578 ( 2.840 0.000 1.063) 3.032 28.665 ( -4.104 0.000 4.154) 5.840 28.738 ( 1.308 0.000 1.562) 2.038 29.076 ( 3.997 0.000 6.909) 7.982 29.178 ( 5.089 0.000 6.001) 7.868 29.697 ( -4.483 0.000 4.818) 6.581 29.735 ( -3.166 0.000 3.562) 4.766 29.878 ( 4.500 0.000 2.067) 4.952 29.969 ( 2.325 0.000 -1.406) 2.717 30.199 ( -0.147 0.000 -1.466) 1.474 30.251 ( -0.488 0.000 -4.299) 4.327 30.265 ( 0.936 0.000 -4.863) 4.952 30.445 ( -1.993 0.000 -4.872) 5.264 30.527 ( -0.740 0.000 -0.175) 0.760 30.530 ( -1.338 0.000 -0.382) 1.391 30.560 ( -0.909 0.000 -5.403) 5.479 30.599 ( -0.773 0.000 -3.653) 3.733 30.663 ( 1.824 0.000 -5.505) 5.799 30.668 ( 2.622 0.000 -6.811) 7.298 33.581 ( -0.108 0.000 6.256) 6.257 33.606 ( -0.356 0.000 4.393) 4.407 33.618 ( 0.808 0.000 4.354) 4.428 33.689 ( -0.502 0.000 3.531) 3.566 ======================= Grid point 149 (33/60) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.704 ( 6.420 0.000 -3.126) 7.140 3.787 ( 4.139 0.000 -7.021) 8.150 5.257 ( 0.956 0.000 24.266) 24.285 5.282 ( -0.297 0.000 16.877) 16.879 5.786 ( 14.495 0.000 23.650) 27.739 6.183 ( 5.968 0.000 21.058) 21.887 6.457 ( 23.032 0.000 29.812) 37.673 7.134 ( 25.005 0.000 28.611) 37.998 8.213 ( -34.332 0.000 32.338) 47.164 8.586 ( -30.525 0.000 31.842) 44.110 8.787 ( 18.438 0.000 56.286) 59.229 9.093 ( -1.854 0.000 -2.655) 3.238 9.238 ( 17.074 0.000 5.991) 18.095 9.918 ( -7.594 0.000 -6.878) 10.246 9.934 ( -2.303 0.000 23.695) 23.806 10.392 ( -11.384 0.000 10.938) 15.787 10.597 ( 16.320 0.000 17.009) 23.573 10.944 ( -3.253 0.000 -0.146) 3.256 10.987 ( -1.574 0.000 -0.210) 1.588 11.191 ( -17.790 0.000 19.619) 26.483 11.465 ( 23.350 0.000 11.983) 26.245 11.675 ( 7.569 0.000 -18.538) 20.024 11.813 ( 9.890 0.000 -4.285) 10.778 12.176 ( 2.863 0.000 -7.114) 7.668 12.535 ( 8.000 0.000 -17.438) 19.186 12.544 ( -4.408 0.000 -11.166) 12.004 12.784 ( 4.234 0.000 -19.096) 19.560 12.935 ( -4.901 0.000 -9.264) 10.480 12.942 ( -13.773 0.000 -0.062) 13.773 13.273 ( -9.684 0.000 -3.652) 10.350 13.386 ( -5.965 0.000 -24.116) 24.843 13.514 ( -6.562 0.000 -24.644) 25.503 13.792 ( 9.703 0.000 -9.049) 13.268 13.875 ( 6.928 0.000 -3.355) 7.698 14.217 ( 1.765 0.000 -9.418) 9.581 14.347 ( -2.142 0.000 -12.894) 13.071 14.694 ( -1.500 0.000 -8.605) 8.734 14.844 ( -3.060 0.000 -9.448) 9.931 15.405 ( -5.040 0.000 -3.835) 6.334 15.495 ( -11.933 0.000 1.939) 12.089 16.025 ( 8.185 0.000 -3.221) 8.796 16.074 ( 5.854 0.000 -5.414) 7.973 16.172 ( 6.342 0.000 -1.189) 6.452 16.523 ( -10.145 0.000 -6.317) 11.951 16.668 ( -5.007 0.000 5.282) 7.278 16.971 ( -7.120 0.000 5.804) 9.185 17.032 ( 7.180 0.000 4.029) 8.233 17.157 ( -10.411 0.000 -6.830) 12.451 17.166 ( 3.848 0.000 3.153) 4.975 17.261 ( -3.374 0.000 0.451) 3.404 17.373 ( -4.603 0.000 6.640) 8.079 17.429 ( -6.615 0.000 1.970) 6.902 17.638 ( -4.124 0.000 5.094) 6.554 17.713 ( -4.038 0.000 0.641) 4.088 17.888 ( 3.727 0.000 -9.770) 10.457 17.916 ( -0.524 0.000 -0.386) 0.651 18.112 ( -1.153 0.000 -3.511) 3.695 18.114 ( -1.921 0.000 -7.873) 8.104 18.262 ( 3.702 0.000 7.886) 8.712 18.285 ( 1.821 0.000 13.626) 13.747 18.320 ( 0.244 0.000 -0.049) 0.248 18.390 ( 1.376 0.000 6.985) 7.120 18.541 ( 0.966 0.000 3.674) 3.799 18.696 ( -5.727 0.000 8.317) 10.098 18.769 ( -2.732 0.000 13.049) 13.332 19.025 ( -2.100 0.000 7.802) 8.079 19.149 ( 1.233 0.000 3.884) 4.075 19.251 ( -15.342 0.000 -1.437) 15.410 19.284 ( 5.144 0.000 -2.353) 5.657 19.482 ( 1.724 0.000 0.689) 1.856 19.544 ( 5.495 0.000 -0.300) 5.503 19.708 ( -1.520 0.000 -8.226) 8.365 19.711 ( 1.521 0.000 -5.432) 5.641 19.851 ( -9.593 0.000 0.801) 9.626 19.993 ( -0.792 0.000 -16.234) 16.253 20.152 ( -11.158 0.000 -11.250) 15.845 20.614 ( 8.381 0.000 -4.629) 9.574 20.733 ( 7.620 0.000 -3.492) 8.382 20.816 ( 8.701 0.000 10.102) 13.333 21.040 ( 3.929 0.000 -5.121) 6.455 21.078 ( 0.209 0.000 -6.408) 6.412 21.184 ( 14.570 0.000 7.806) 16.530 21.342 ( 13.643 0.000 3.336) 14.045 21.694 ( -6.832 0.000 4.442) 8.149 21.850 ( 0.751 0.000 -10.347) 10.374 21.853 ( 3.177 0.000 -5.944) 6.739 22.093 ( -3.418 0.000 -0.251) 3.428 22.109 ( 6.270 0.000 -2.843) 6.884 22.227 ( 1.916 0.000 1.380) 2.362 22.346 ( -1.128 0.000 1.088) 1.567 22.387 ( 0.582 0.000 0.170) 0.606 22.461 ( 1.473 0.000 4.494) 4.730 22.733 ( -7.421 0.000 -5.345) 9.145 22.788 ( -3.577 0.000 -4.120) 5.456 22.930 ( 6.663 0.000 -5.001) 8.331 22.993 ( -2.468 0.000 -8.149) 8.515 23.038 ( -0.803 0.000 1.734) 1.911 23.127 ( 0.566 0.000 -4.194) 4.232 23.183 ( -1.705 0.000 -1.427) 2.223 23.212 ( -4.495 0.000 2.868) 5.332 23.370 ( 2.239 0.000 -5.635) 6.064 23.429 ( 0.835 0.000 -4.110) 4.194 23.506 ( 0.759 0.000 2.204) 2.331 23.646 ( -0.715 0.000 2.431) 2.534 23.706 ( 0.092 0.000 2.454) 2.455 23.738 ( -0.841 0.000 3.231) 3.339 23.959 ( 2.272 0.000 2.526) 3.398 23.980 ( 0.701 0.000 5.110) 5.158 24.109 ( 2.606 0.000 0.362) 2.631 24.181 ( -0.667 0.000 -2.561) 2.647 24.410 ( -2.426 0.000 -3.215) 4.027 24.434 ( -3.922 0.000 -2.718) 4.771 24.616 ( 6.738 0.000 5.493) 8.694 24.770 ( 0.157 0.000 2.323) 2.328 24.911 ( 2.412 0.000 0.790) 2.539 25.080 ( -5.849 0.000 4.439) 7.343 25.392 ( 1.465 0.000 5.751) 5.935 25.399 ( 0.251 0.000 6.557) 6.562 25.570 ( 4.473 0.000 -0.259) 4.480 25.615 ( 5.182 0.000 -0.840) 5.250 25.773 ( 6.330 0.000 -1.404) 6.484 25.895 ( -6.980 0.000 -1.443) 7.127 26.252 ( -1.290 0.000 -0.314) 1.328 26.252 ( -1.989 0.000 1.632) 2.573 26.343 ( 4.714 0.000 -3.129) 5.658 26.486 ( -1.375 0.000 -1.779) 2.248 26.579 ( -0.142 0.000 -0.790) 0.803 26.586 ( -1.463 0.000 -1.881) 2.383 26.815 ( 1.009 0.000 5.045) 5.145 26.953 ( -3.359 0.000 1.937) 3.878 27.026 ( -3.122 0.000 -0.321) 3.138 27.114 ( -7.206 0.000 -3.224) 7.895 27.392 ( 3.693 0.000 1.832) 4.123 27.433 ( 0.004 0.000 0.001) 0.005 27.545 ( 5.012 0.000 0.576) 5.045 27.743 ( 2.793 0.000 -1.924) 3.392 27.889 ( -5.452 0.000 3.467) 6.461 28.019 ( -6.257 0.000 1.110) 6.355 28.520 ( -1.780 0.000 3.772) 4.171 28.536 ( -3.879 0.000 3.985) 5.561 28.695 ( 4.075 0.000 2.912) 5.009 28.763 ( 0.817 0.000 1.880) 2.050 29.168 ( 5.335 0.000 4.406) 6.919 29.257 ( 2.518 0.000 2.718) 3.706 29.627 ( -2.468 0.000 5.991) 6.480 29.670 ( -3.460 0.000 3.929) 5.235 29.957 ( 3.747 0.000 0.858) 3.844 30.008 ( 1.383 0.000 -0.885) 1.642 30.199 ( 0.214 0.000 -1.898) 1.911 30.235 ( -1.233 0.000 -3.469) 3.681 30.290 ( 1.852 0.000 -5.365) 5.676 30.394 ( -3.226 0.000 -6.622) 7.366 30.503 ( -0.898 0.000 -0.801) 1.203 30.512 ( -0.833 0.000 -0.337) 0.899 30.565 ( 0.601 0.000 -3.139) 3.196 30.586 ( -0.644 0.000 -3.549) 3.607 30.695 ( 1.458 0.000 -5.619) 5.805 30.704 ( 1.178 0.000 -6.316) 6.425 33.582 ( 0.177 0.000 5.809) 5.812 33.597 ( -0.536 0.000 4.793) 4.823 33.636 ( 1.094 0.000 4.227) 4.367 33.676 ( -0.891 0.000 3.693) 3.799 ======================= Grid point 150 (34/60) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( -1.230 0.000 -5.983) 6.108 3.794 ( 1.230 0.000 -5.983) 6.108 5.276 ( -0.058 0.000 16.379) 16.379 5.276 ( 0.058 0.000 16.379) 16.379 6.045 ( -10.426 0.000 14.335) 17.726 6.045 ( 10.426 0.000 14.335) 17.726 7.122 ( -28.238 0.000 40.071) 49.021 7.122 ( 28.238 0.000 40.071) 49.021 8.030 ( -17.541 0.000 32.449) 36.886 8.030 ( 17.541 0.000 32.449) 36.886 9.020 ( -6.221 0.000 13.089) 14.492 9.020 ( 6.221 0.000 13.089) 14.492 9.646 ( -15.702 0.000 6.097) 16.844 9.646 ( 15.702 0.000 6.097) 16.844 10.099 ( -17.849 0.000 21.133) 27.662 10.099 ( 17.849 0.000 21.133) 27.662 10.819 ( -4.770 0.000 19.393) 19.971 10.819 ( 4.770 0.000 19.393) 19.971 10.983 ( -0.654 0.000 -0.696) 0.955 10.983 ( 0.654 0.000 -0.696) 0.955 11.723 ( -3.996 0.000 -5.237) 6.587 11.723 ( 3.996 0.000 -5.237) 6.587 12.171 ( -9.207 0.000 -4.255) 10.142 12.171 ( 9.207 0.000 -4.255) 10.142 12.472 ( -3.252 0.000 -10.826) 11.304 12.472 ( 3.252 0.000 -10.826) 11.304 12.756 ( -0.000 0.000 -9.837) 9.837 12.756 ( 0.000 0.000 -9.837) 9.837 13.059 ( -10.802 0.000 -3.973) 11.509 13.059 ( 10.802 0.000 -3.973) 11.509 13.393 ( -3.569 0.000 -23.106) 23.380 13.393 ( 3.569 0.000 -23.106) 23.380 13.938 ( -0.516 0.000 -6.771) 6.791 13.938 ( 0.516 0.000 -6.771) 6.791 14.258 ( -0.921 0.000 -11.276) 11.313 14.258 ( 0.921 0.000 -11.276) 11.313 14.754 ( -1.768 0.000 -8.382) 8.566 14.754 ( 1.768 0.000 -8.382) 8.566 15.370 ( -0.284 0.000 -0.362) 0.460 15.370 ( 0.284 0.000 -0.362) 0.460 16.099 ( -0.100 0.000 -2.664) 2.666 16.099 ( 0.100 0.000 -2.664) 2.666 16.340 ( -8.643 0.000 -7.175) 11.233 16.340 ( 8.643 0.000 -7.175) 11.233 16.756 ( -9.068 0.000 -4.711) 10.218 16.756 ( 9.068 0.000 -4.711) 10.218 17.130 ( -0.596 0.000 4.850) 4.886 17.130 ( 0.596 0.000 4.850) 4.886 17.200 ( -0.270 0.000 1.381) 1.407 17.200 ( 0.270 0.000 1.381) 1.407 17.322 ( -1.345 0.000 4.254) 4.462 17.322 ( 1.345 0.000 4.254) 4.462 17.630 ( -3.245 0.000 1.921) 3.771 17.630 ( 3.245 0.000 1.921) 3.771 17.917 ( -0.004 0.000 0.372) 0.372 17.917 ( 0.004 0.000 0.372) 0.372 18.091 ( -0.000 0.000 -11.281) 11.281 18.091 ( 0.000 0.000 -11.281) 11.281 18.289 ( -0.036 0.000 8.061) 8.061 18.289 ( 0.036 0.000 8.061) 8.061 18.385 ( -1.005 0.000 4.417) 4.530 18.385 ( 1.005 0.000 4.417) 4.530 18.599 ( -1.670 0.000 8.107) 8.277 18.599 ( 1.670 0.000 8.107) 8.277 18.845 ( -3.936 0.000 6.304) 7.431 18.845 ( 3.936 0.000 6.304) 7.431 19.135 ( -0.036 0.000 6.517) 6.517 19.135 ( 0.036 0.000 6.517) 6.517 19.437 ( -2.674 0.000 -4.173) 4.956 19.437 ( 2.674 0.000 -4.173) 4.956 19.649 ( -4.471 0.000 -1.675) 4.774 19.649 ( 4.471 0.000 -1.675) 4.774 19.748 ( -0.849 0.000 4.523) 4.602 19.748 ( 0.849 0.000 4.523) 4.602 19.998 ( -2.793 0.000 -17.166) 17.392 19.998 ( 2.793 0.000 -17.166) 17.392 20.749 ( -4.584 0.000 -4.544) 6.455 20.749 ( 4.584 0.000 -4.544) 6.455 20.967 ( -6.845 0.000 2.682) 7.351 20.967 ( 6.845 0.000 2.682) 7.351 21.190 ( -5.361 0.000 -3.667) 6.496 21.190 ( 5.361 0.000 -3.667) 6.496 21.624 ( -5.732 0.000 0.080) 5.733 21.624 ( 5.732 0.000 0.080) 5.733 21.855 ( -0.011 0.000 -2.751) 2.751 21.855 ( 0.011 0.000 -2.751) 2.751 22.121 ( -2.064 0.000 -2.631) 3.344 22.121 ( 2.064 0.000 -2.631) 3.344 22.287 ( -2.316 0.000 0.341) 2.341 22.287 ( 2.316 0.000 0.341) 2.341 22.423 ( -3.354 0.000 2.001) 3.905 22.423 ( 3.354 0.000 2.001) 3.905 22.694 ( -3.815 0.000 -3.184) 4.969 22.694 ( 3.815 0.000 -3.184) 4.969 22.967 ( -0.213 0.000 -3.600) 3.606 22.967 ( 0.213 0.000 -3.600) 3.606 23.115 ( -2.945 0.000 -2.342) 3.763 23.115 ( 2.945 0.000 -2.342) 3.763 23.157 ( -0.056 0.000 -0.841) 0.843 23.157 ( 0.056 0.000 -0.841) 0.843 23.413 ( -1.945 0.000 -3.578) 4.073 23.413 ( 1.945 0.000 -3.578) 4.073 23.564 ( -2.810 0.000 -0.226) 2.819 23.564 ( 2.810 0.000 -0.226) 2.819 23.729 ( -0.630 0.000 4.186) 4.233 23.729 ( 0.630 0.000 4.186) 4.233 23.987 ( -0.065 0.000 4.289) 4.289 23.987 ( 0.065 0.000 4.289) 4.289 24.156 ( -0.506 0.000 -3.035) 3.076 24.156 ( 0.506 0.000 -3.035) 3.076 24.387 ( -0.076 0.000 -1.837) 1.839 24.387 ( 0.076 0.000 -1.837) 1.839 24.728 ( -2.388 0.000 3.788) 4.478 24.728 ( 2.388 0.000 3.788) 4.478 24.979 ( -4.217 0.000 4.567) 6.216 24.979 ( 4.217 0.000 4.567) 6.216 25.407 ( -0.004 0.000 6.200) 6.200 25.407 ( 0.004 0.000 6.200) 6.200 25.646 ( -1.495 0.000 -1.159) 1.891 25.646 ( 1.495 0.000 -1.159) 1.891 25.833 ( -0.000 0.000 -0.512) 0.512 25.833 ( 0.000 0.000 -0.512) 0.512 26.222 ( -0.420 0.000 1.123) 1.199 26.222 ( 0.420 0.000 1.123) 1.199 26.435 ( -3.994 0.000 -2.570) 4.750 26.435 ( 3.994 0.000 -2.570) 4.750 26.572 ( -0.006 0.000 -1.638) 1.638 26.572 ( 0.006 0.000 -1.638) 1.638 26.879 ( -1.675 0.000 2.162) 2.735 26.879 ( 1.675 0.000 2.162) 2.735 27.013 ( -0.666 0.000 -2.182) 2.282 27.013 ( 0.666 0.000 -2.182) 2.282 27.429 ( -0.035 0.000 0.194) 0.197 27.429 ( 0.035 0.000 0.194) 0.197 27.671 ( -5.705 0.000 1.117) 5.813 27.671 ( 5.705 0.000 1.117) 5.813 27.909 ( -3.703 0.000 1.933) 4.177 27.909 ( 3.703 0.000 1.933) 4.177 28.498 ( -0.001 0.000 4.149) 4.149 28.498 ( 0.001 0.000 4.149) 4.149 28.754 ( -1.860 0.000 2.617) 3.211 28.754 ( 1.860 0.000 2.617) 3.211 29.252 ( -2.291 0.000 2.215) 3.187 29.252 ( 2.291 0.000 2.215) 3.187 29.619 ( -0.339 0.000 5.496) 5.506 29.619 ( 0.339 0.000 5.496) 5.506 30.008 ( -0.601 0.000 -0.193) 0.631 30.008 ( 0.601 0.000 -0.193) 0.631 30.211 ( -0.745 0.000 -2.707) 2.807 30.211 ( 0.745 0.000 -2.707) 2.807 30.335 ( -2.826 0.000 -6.113) 6.734 30.335 ( 2.826 0.000 -6.113) 6.734 30.499 ( -0.300 0.000 -0.532) 0.610 30.499 ( 0.300 0.000 -0.532) 0.610 30.575 ( -0.046 0.000 -3.248) 3.249 30.575 ( 0.046 0.000 -3.248) 3.249 30.712 ( -0.288 0.000 -5.882) 5.889 30.712 ( 0.288 0.000 -5.882) 5.889 33.588 ( -0.299 0.000 5.309) 5.318 33.588 ( 0.299 0.000 5.309) 5.318 33.657 ( -0.961 0.000 3.949) 4.064 33.657 ( 0.961 0.000 3.949) 4.064 ======================= Grid point 155 (35/60) ======================= q-point: ( 0.17 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 5.301 5.301 -1.261) 7.602 3.702 ( 7.478 7.478 -4.954) 11.678 5.210 ( -1.036 -1.036 28.948) 28.985 5.445 ( 2.939 2.939 20.557) 20.973 5.500 ( 4.628 4.628 33.113) 33.754 5.951 ( 19.765 19.765 39.659) 48.520 6.389 ( -4.495 -4.495 6.536) 9.118 6.872 ( 20.523 20.523 24.443) 37.946 8.568 ( 10.791 10.791 74.584) 76.130 8.645 ( -17.566 -17.566 28.362) 37.703 8.943 ( -3.707 -3.707 8.985) 10.403 9.050 ( -12.374 -12.374 6.335) 18.610 9.227 ( 10.248 10.248 3.578) 14.928 9.690 ( -15.900 -15.900 15.003) 27.032 10.217 ( 4.381 4.381 5.628) 8.371 10.285 ( 10.601 10.601 18.390) 23.726 10.600 ( -0.531 -0.531 15.222) 15.240 10.895 ( -9.062 -9.062 4.776) 13.676 10.999 ( 4.659 4.659 3.602) 7.509 11.274 ( 8.059 8.059 -0.592) 11.412 11.326 ( 5.416 5.416 4.155) 8.713 11.633 ( -3.190 -3.190 -7.689) 8.915 11.799 ( 0.581 0.581 -5.095) 5.161 12.141 ( -0.546 -0.546 -3.647) 3.728 12.347 ( 8.732 8.732 -20.582) 24.003 12.569 ( -1.243 -1.243 -8.157) 8.345 12.720 ( -0.365 -0.365 -29.470) 29.475 12.957 ( -0.058 -0.058 -5.604) 5.605 13.234 ( -0.324 -0.324 -8.108) 8.121 13.281 ( 1.866 1.866 -5.678) 6.261 13.512 ( -6.513 -6.513 -26.815) 28.353 13.588 ( -5.945 -5.945 -24.035) 25.463 13.667 ( 4.140 4.140 -8.079) 9.978 13.828 ( 2.389 2.389 -6.342) 7.186 14.096 ( -4.161 -4.161 -8.236) 10.123 14.413 ( 8.538 8.538 -8.269) 14.635 14.754 ( -5.278 -5.278 -12.337) 14.419 14.884 ( 0.557 0.557 -9.184) 9.217 15.495 ( -0.541 -0.541 -9.859) 9.889 15.755 ( -4.161 -4.161 0.151) 5.886 15.857 ( 3.606 3.606 -1.255) 5.252 15.921 ( -3.883 -3.883 5.137) 7.519 16.117 ( -0.238 -0.238 5.261) 5.271 16.602 ( -6.631 -6.631 3.974) 10.184 16.728 ( -4.817 -4.817 -1.623) 7.003 16.897 ( -4.603 -4.603 4.013) 7.647 17.084 ( -3.086 -3.086 4.474) 6.250 17.130 ( -1.832 -1.832 6.333) 6.842 17.280 ( -6.142 -6.142 4.654) 9.854 17.346 ( -4.901 -4.901 -1.821) 7.166 17.395 ( -4.489 -4.489 -1.654) 6.560 17.511 ( 0.367 0.367 2.741) 2.790 17.609 ( -1.070 -1.070 -6.983) 7.145 17.689 ( -4.534 -4.534 6.223) 8.936 17.847 ( -5.941 -5.941 -0.981) 8.459 17.960 ( 2.578 2.578 -0.335) 3.661 18.076 ( -0.850 -0.850 -8.877) 8.958 18.122 ( -0.240 -0.240 4.118) 4.132 18.181 ( 0.563 0.563 3.115) 3.215 18.273 ( 0.511 0.511 11.770) 11.792 18.316 ( -0.882 -0.882 -2.720) 2.993 18.435 ( 0.039 0.039 4.983) 4.983 18.553 ( -1.124 -1.124 8.630) 8.775 18.690 ( -5.743 -5.743 7.755) 11.230 18.762 ( -14.241 -14.241 12.086) 23.488 18.904 ( -2.166 -2.166 1.588) 3.450 19.147 ( 3.253 3.253 5.568) 7.223 19.325 ( 3.164 3.164 -0.257) 4.482 19.396 ( 0.248 0.248 -5.563) 5.574 19.482 ( 3.255 3.255 -2.506) 5.241 19.543 ( -4.339 -4.339 0.749) 6.182 19.718 ( -3.708 -3.708 -13.126) 14.135 19.786 ( 5.790 5.790 -7.112) 10.845 19.932 ( 2.524 2.524 -18.209) 18.556 20.255 ( 5.110 5.110 -11.980) 13.991 20.360 ( 1.973 1.973 -5.918) 6.542 20.494 ( 5.530 5.530 -1.918) 8.052 20.613 ( 6.802 6.802 7.202) 12.017 20.697 ( 5.631 5.631 12.917) 15.174 20.778 ( 8.167 8.167 1.501) 11.647 20.934 ( -0.462 -0.462 4.731) 4.776 21.046 ( 0.513 0.513 -4.131) 4.194 21.382 ( 6.644 6.644 1.296) 9.485 21.712 ( 4.376 4.376 -5.242) 8.110 21.820 ( -6.752 -6.752 5.661) 11.101 21.944 ( 2.282 2.282 -8.419) 9.016 21.989 ( 5.915 5.915 -5.408) 9.961 22.122 ( -1.557 -1.557 3.474) 4.113 22.249 ( 2.385 2.385 3.546) 4.894 22.293 ( -2.448 -2.448 -0.365) 3.481 22.404 ( 1.128 1.128 1.817) 2.418 22.478 ( 2.279 2.279 1.284) 3.469 22.763 ( 0.038 0.038 -5.695) 5.695 22.811 ( 4.813 4.813 -3.922) 7.856 22.852 ( -2.680 -2.680 -8.786) 9.568 23.011 ( -3.694 -3.694 -6.680) 8.481 23.080 ( -2.199 -2.199 -4.324) 5.326 23.143 ( -0.872 -0.872 -0.412) 1.301 23.186 ( -3.489 -3.489 1.637) 5.199 23.253 ( -3.481 -3.481 -2.418) 5.484 23.335 ( 1.904 1.904 -6.060) 6.631 23.451 ( 1.867 1.867 -3.196) 4.145 23.520 ( 2.071 2.071 2.685) 3.973 23.603 ( 3.489 3.489 4.595) 6.742 23.695 ( -3.081 -3.081 1.316) 4.551 23.772 ( -0.271 -0.271 6.204) 6.215 23.918 ( -0.654 -0.654 1.762) 1.989 23.975 ( 0.254 0.254 4.303) 4.318 24.101 ( 3.245 3.245 -0.085) 4.590 24.177 ( -0.433 -0.433 -0.568) 0.835 24.433 ( -3.551 -3.551 -2.485) 5.604 24.473 ( 1.355 1.355 -0.961) 2.144 24.558 ( 1.450 1.450 1.729) 2.683 24.765 ( 3.338 3.338 2.695) 5.435 24.883 ( -0.409 -0.409 -3.087) 3.141 25.157 ( -2.443 -2.443 2.560) 4.300 25.330 ( -2.017 -2.017 6.658) 7.243 25.448 ( 1.298 1.298 5.502) 5.800 25.484 ( 1.280 1.280 -3.788) 4.198 25.559 ( 3.540 3.540 4.569) 6.778 25.706 ( 4.456 4.456 -1.722) 6.533 26.032 ( -2.610 -2.610 -0.092) 3.692 26.181 ( 2.752 2.752 -5.565) 6.790 26.273 ( 0.582 0.582 -1.581) 1.782 26.314 ( -2.652 -2.652 2.036) 4.267 26.493 ( -1.599 -1.599 -0.433) 2.302 26.565 ( 0.991 0.991 -0.986) 1.714 26.621 ( 1.034 1.034 -1.602) 2.169 26.798 ( -4.933 -4.933 6.074) 9.250 26.987 ( -2.593 -2.593 1.038) 3.811 27.093 ( -0.289 -0.289 3.029) 3.057 27.227 ( -1.761 -1.761 -0.612) 2.565 27.300 ( -1.565 -1.565 0.014) 2.213 27.415 ( -1.321 -1.321 -3.382) 3.863 27.509 ( 3.974 3.974 2.041) 5.979 27.713 ( 4.984 4.984 -0.821) 7.097 27.947 ( -6.133 -6.133 0.689) 8.700 28.124 ( -2.054 -2.054 2.150) 3.614 28.500 ( -2.038 -2.038 2.678) 3.934 28.621 ( -0.146 -0.146 3.815) 3.820 28.644 ( -1.232 -1.232 3.457) 3.872 28.713 ( -0.419 -0.419 1.334) 1.460 29.121 ( 4.469 4.469 5.970) 8.694 29.225 ( 4.039 4.039 4.285) 7.140 29.656 ( -3.086 -3.086 5.125) 6.731 29.724 ( -1.768 -1.768 3.099) 3.982 29.909 ( 2.995 2.995 1.861) 4.626 29.993 ( 2.121 2.121 -1.046) 3.176 30.193 ( -0.532 -0.532 -1.753) 1.907 30.237 ( -1.001 -1.001 -5.034) 5.229 30.281 ( 1.147 1.147 -3.996) 4.313 30.430 ( -1.628 -1.628 -5.370) 5.843 30.513 ( -2.066 -2.066 -3.847) 4.831 30.518 ( -0.891 -0.891 -0.056) 1.261 30.538 ( -0.496 -0.496 -1.130) 1.330 30.626 ( 0.936 0.936 -4.095) 4.304 30.660 ( 1.164 1.164 -5.726) 5.957 30.694 ( 1.526 1.526 -6.301) 6.660 33.580 ( -0.023 -0.023 6.007) 6.007 33.612 ( 0.131 0.131 4.328) 4.332 33.616 ( 0.222 0.222 4.600) 4.610 33.685 ( -0.485 -0.485 3.592) 3.657 ======================= Grid point 156 (36/60) ======================= q-point: ( 0.33 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.739 ( 3.478 2.404 -2.968) 5.166 3.836 ( 5.008 5.285 -9.654) 12.091 5.226 ( 1.818 -0.058 19.591) 19.675 5.407 ( -1.821 9.682 17.996) 20.516 5.736 ( 14.590 -4.331 23.840) 28.284 6.218 ( -5.819 0.203 12.477) 13.769 6.510 ( 31.153 9.544 37.473) 49.657 7.311 ( 23.215 16.714 30.362) 41.715 8.181 ( -30.439 -2.654 30.294) 43.027 8.613 ( -21.640 1.699 29.652) 36.748 8.827 ( 4.008 -2.898 33.194) 33.561 8.909 ( -0.680 -8.752 6.685) 11.034 9.457 ( 9.195 5.096 16.248) 19.352 9.614 ( 16.049 0.516 23.525) 28.483 10.174 ( -7.967 4.368 5.649) 10.699 10.389 ( -3.486 -3.056 4.650) 6.566 10.607 ( 0.910 0.293 12.018) 12.056 10.861 ( 4.696 -1.095 6.189) 7.846 11.043 ( -3.885 6.698 0.405) 7.754 11.282 ( -6.201 7.837 16.300) 19.119 11.484 ( 13.090 1.321 -0.764) 13.178 11.682 ( 5.634 3.327 -8.947) 11.084 11.838 ( 7.066 0.587 -7.706) 10.472 12.154 ( 2.958 0.199 -2.243) 3.718 12.445 ( 3.052 -5.820 -11.067) 12.871 12.592 ( -2.545 0.975 -22.251) 22.417 12.778 ( 5.114 -0.403 -8.784) 10.173 12.923 ( -1.417 3.761 -10.142) 10.910 13.125 ( -7.941 5.975 -4.309) 10.832 13.226 ( -9.443 -6.961 -15.957) 19.805 13.386 ( -10.031 0.392 -17.521) 20.193 13.448 ( -2.264 0.298 -12.690) 12.893 13.776 ( 4.142 -0.136 -6.581) 7.777 13.884 ( 4.174 -3.553 -6.548) 8.539 14.081 ( 2.146 -8.185 -9.842) 12.979 14.513 ( 0.247 12.379 -6.937) 14.192 14.675 ( -1.297 0.963 -6.972) 7.157 14.893 ( 0.411 1.701 -8.954) 9.123 15.421 ( -10.775 0.075 -0.832) 10.807 15.544 ( -4.139 4.351 -0.615) 6.037 15.898 ( 4.650 -7.390 -1.416) 8.845 16.030 ( 6.053 -11.555 2.003) 13.197 16.203 ( 3.534 4.322 -4.792) 7.357 16.490 ( -6.998 -4.113 0.692) 8.147 16.590 ( -3.398 -4.147 -0.825) 5.425 16.889 ( 1.182 -4.744 3.936) 6.277 17.003 ( -0.542 -6.663 2.950) 7.307 17.072 ( -7.255 -3.143 -7.144) 10.656 17.161 ( -4.508 -6.096 2.934) 8.130 17.244 ( -4.999 -5.211 -0.370) 7.231 17.293 ( -4.105 -3.831 6.522) 8.606 17.422 ( -7.523 3.073 -0.974) 8.185 17.595 ( -2.216 -4.855 1.817) 5.637 17.695 ( -1.457 -6.268 -3.309) 7.236 17.730 ( 0.603 -4.123 -1.887) 4.574 17.939 ( -5.089 -6.230 -1.686) 8.219 18.044 ( -0.148 -2.849 -4.044) 4.949 18.102 ( -3.017 -3.194 0.251) 4.401 18.205 ( 1.039 -3.705 -0.402) 3.869 18.295 ( 0.660 -3.512 0.243) 3.581 18.315 ( -0.099 -0.469 -0.139) 0.499 18.442 ( 0.530 0.471 7.834) 7.866 18.481 ( -3.038 -5.611 8.646) 10.746 18.582 ( -4.008 -7.417 9.221) 12.494 18.630 ( -1.653 -5.037 7.869) 9.488 18.882 ( 0.292 -2.736 6.386) 6.953 19.125 ( -7.106 1.468 1.006) 7.325 19.343 ( 0.679 0.639 0.060) 0.935 19.399 ( 2.605 3.511 -6.111) 7.514 19.517 ( 1.588 1.404 2.148) 3.018 19.577 ( 2.789 1.031 -5.114) 5.915 19.689 ( 0.396 -2.043 -8.580) 8.829 19.846 ( 1.673 13.901 -5.210) 14.939 19.929 ( -1.734 4.800 -11.094) 12.211 20.229 ( -4.703 14.862 -5.196) 16.431 20.306 ( -5.001 20.321 0.113) 20.928 20.631 ( 2.894 -0.230 1.193) 3.139 20.686 ( 3.895 0.586 -4.699) 6.132 20.831 ( 8.363 -2.077 1.345) 8.722 20.942 ( 5.909 -3.897 -2.710) 7.579 21.043 ( 8.398 2.841 -0.662) 8.890 21.289 ( 16.932 4.083 7.133) 18.822 21.398 ( 1.372 2.524 5.136) 5.885 21.733 ( -0.273 4.863 1.102) 4.993 21.783 ( 1.597 -0.941 -5.965) 6.247 21.962 ( 0.979 4.830 -6.021) 7.781 22.073 ( -0.985 1.549 -0.283) 1.857 22.179 ( 5.323 3.762 -1.150) 6.618 22.214 ( -0.371 -0.981 -0.380) 1.115 22.334 ( 3.814 -0.736 -0.057) 3.885 22.402 ( -1.169 2.380 0.946) 2.815 22.497 ( -0.188 1.768 1.382) 2.252 22.700 ( -5.364 -5.010 -3.590) 8.171 22.753 ( -6.285 -2.017 -4.442) 7.957 22.939 ( 0.935 0.395 -4.693) 4.801 22.960 ( -1.249 -2.751 -5.658) 6.414 23.047 ( 2.222 1.249 -2.228) 3.385 23.106 ( -1.083 -3.314 -1.375) 3.748 23.127 ( -1.826 -3.317 -1.164) 3.961 23.230 ( -0.514 1.412 -2.045) 2.538 23.376 ( 2.603 1.588 -5.394) 6.196 23.472 ( 0.472 2.860 -3.690) 4.692 23.526 ( -1.606 1.492 1.560) 2.691 23.639 ( -1.431 -2.097 1.595) 2.998 23.682 ( 3.030 -0.469 5.516) 6.311 23.759 ( -0.952 1.545 4.819) 5.149 23.918 ( 0.660 -2.646 4.045) 4.879 23.983 ( 0.476 0.066 3.118) 3.155 24.120 ( -0.690 0.063 -0.084) 0.698 24.206 ( 2.951 2.580 -2.667) 4.741 24.363 ( -2.832 -3.496 -2.656) 5.225 24.463 ( -2.765 1.264 -3.544) 4.670 24.623 ( 4.898 1.173 3.893) 6.366 24.812 ( 0.408 3.794 3.535) 5.202 24.901 ( 3.091 -0.763 2.044) 3.783 25.078 ( -5.243 -0.531 5.699) 7.763 25.332 ( 1.686 -2.190 5.692) 6.327 25.443 ( -1.140 0.635 4.982) 5.150 25.531 ( 3.100 -3.577 -3.313) 5.777 25.632 ( 4.318 2.173 4.228) 6.422 25.817 ( 3.674 5.597 -3.771) 7.684 25.951 ( -2.360 3.463 1.873) 4.590 26.230 ( -1.550 -3.222 -1.459) 3.862 26.242 ( -0.527 -0.417 0.737) 0.998 26.321 ( 2.551 -0.604 -1.241) 2.901 26.431 ( -4.348 -5.510 -0.896) 7.076 26.584 ( 1.745 2.877 -1.298) 3.607 26.655 ( 0.883 3.818 -2.826) 4.832 26.738 ( -0.523 -5.817 3.423) 6.769 26.916 ( -4.040 -5.145 -0.785) 6.589 27.045 ( -3.251 2.737 0.235) 4.256 27.147 ( -5.663 1.295 -1.400) 5.976 27.324 ( 1.542 -3.157 -1.897) 3.993 27.422 ( 2.566 -3.326 -0.372) 4.217 27.589 ( 4.472 4.717 3.461) 7.364 27.792 ( -1.679 1.923 0.544) 2.610 27.847 ( 0.663 -0.866 1.020) 1.493 28.053 ( -4.946 2.366 2.346) 5.963 28.465 ( -2.143 -4.062 5.430) 7.112 28.540 ( -4.021 -0.744 4.436) 6.033 28.677 ( 2.340 -2.967 2.449) 4.502 28.724 ( 0.509 -2.396 1.287) 2.767 29.217 ( 5.023 4.697 4.554) 8.248 29.294 ( 2.764 3.310 2.129) 4.809 29.600 ( -2.830 -1.350 4.781) 5.717 29.686 ( -1.750 -0.102 3.829) 4.211 29.969 ( 2.941 1.815 0.963) 3.588 30.032 ( 1.692 2.077 -0.680) 2.764 30.184 ( -0.278 -1.475 -2.712) 3.100 30.218 ( -1.008 -1.440 -4.224) 4.575 30.303 ( 1.280 0.931 -4.274) 4.558 30.387 ( -2.806 -0.833 -6.024) 6.697 30.483 ( -0.746 -1.896 -2.037) 2.881 30.501 ( -0.959 -1.081 -0.627) 1.575 30.532 ( -0.305 -1.383 -1.772) 2.269 30.632 ( 0.114 2.690 -3.737) 4.606 30.693 ( 1.735 0.148 -5.483) 5.753 30.716 ( 0.672 0.802 -5.947) 6.038 33.582 ( 0.246 0.128 5.606) 5.613 33.604 ( -0.577 0.648 4.795) 4.873 33.631 ( 1.020 -0.494 4.337) 4.482 33.672 ( -0.842 -0.429 3.774) 3.890 ======================= Grid point 157 (37/60) ======================= q-point: (-0.50 0.17 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.773 ( 0.000 0.082 -3.079) 3.080 3.880 ( 0.000 6.142 -10.532) 12.192 5.247 ( 0.000 0.225 15.266) 15.268 5.390 ( 0.000 8.708 16.644) 18.784 5.947 ( 0.000 -6.456 16.225) 17.462 6.080 ( -0.000 -0.529 12.305) 12.316 7.052 ( 0.000 3.950 36.241) 36.456 7.396 ( 0.000 17.085 43.228) 46.482 7.921 ( 0.000 -0.990 30.291) 30.307 8.256 ( -0.000 13.135 30.756) 33.444 8.820 ( 0.000 -18.229 7.299) 19.636 8.948 ( 0.000 -6.677 17.042) 18.304 9.569 ( 0.000 -1.090 0.876) 1.399 9.940 ( -0.000 10.363 24.942) 27.010 10.156 ( -0.000 7.859 21.769) 23.144 10.196 ( 0.000 8.213 8.139) 11.563 10.594 ( 0.000 -1.539 4.942) 5.176 10.788 ( 0.000 -8.947 16.238) 18.540 11.122 ( -0.000 13.776 7.344) 15.611 11.184 ( 0.000 13.942 8.078) 16.113 11.632 ( 0.000 -5.273 5.655) 7.732 11.710 ( -0.000 -2.445 -14.419) 14.625 11.974 ( 0.000 -3.977 -5.497) 6.785 12.253 ( 0.000 -1.583 -11.885) 11.990 12.487 ( -0.000 -3.553 2.853) 4.557 12.496 ( 0.000 4.091 -24.322) 24.663 12.785 ( 0.000 1.628 -6.279) 6.487 12.896 ( -0.000 9.072 -7.581) 11.823 13.062 ( 0.000 0.588 -3.537) 3.585 13.121 ( -0.000 -3.398 -20.019) 20.305 13.282 ( 0.000 -3.630 -16.796) 17.184 13.412 ( 0.000 4.858 -5.362) 7.235 13.813 ( 0.000 -3.070 -4.081) 5.107 13.921 ( 0.000 -11.359 -11.512) 16.172 14.132 ( 0.000 -5.027 -13.107) 14.038 14.483 ( 0.000 14.701 -1.040) 14.738 14.681 ( 0.000 1.874 -7.523) 7.753 14.898 ( 0.000 3.509 -10.076) 10.670 15.298 ( 0.000 -1.729 3.690) 4.075 15.525 ( 0.000 9.050 -3.148) 9.581 15.994 ( 0.000 -6.633 -1.061) 6.717 16.033 ( -0.000 -10.223 -1.969) 10.411 16.269 ( 0.000 -7.085 -7.184) 10.090 16.336 ( -0.000 -4.595 1.620) 4.872 16.679 ( 0.000 0.969 -7.743) 7.803 16.814 ( -0.000 -0.403 -1.987) 2.027 17.027 ( 0.000 -13.266 6.270) 14.673 17.046 ( -0.000 -6.823 1.818) 7.061 17.122 ( 0.000 -7.511 2.172) 7.819 17.135 ( -0.000 -1.699 0.604) 1.804 17.278 ( -0.000 -0.435 -3.310) 3.338 17.328 ( 0.000 0.773 4.804) 4.866 17.599 ( 0.000 -6.100 1.768) 6.352 17.615 ( -0.000 -3.238 -2.274) 3.957 17.800 ( 0.000 -2.683 -1.786) 3.223 17.856 ( 0.000 -8.504 -6.752) 10.858 18.042 ( 0.000 -5.183 -8.392) 9.863 18.059 ( -0.000 -5.164 3.966) 6.511 18.207 ( 0.000 -10.425 -2.200) 10.655 18.278 ( 0.000 -4.889 3.949) 6.285 18.353 ( 0.000 -1.776 0.376) 1.815 18.426 ( 0.000 -3.378 4.556) 5.671 18.472 ( 0.000 -1.887 12.531) 12.672 18.564 ( 0.000 -1.602 10.102) 10.228 18.599 ( 0.000 -3.981 2.689) 4.804 18.956 ( 0.000 -9.188 5.731) 10.829 18.973 ( -0.000 9.062 1.540) 9.192 19.347 ( 0.000 0.275 -0.098) 0.292 19.450 ( 0.000 9.054 -0.562) 9.071 19.525 ( 0.000 -1.350 -2.979) 3.271 19.614 ( -0.000 -4.801 -18.015) 18.644 19.673 ( 0.000 1.939 2.631) 3.268 19.864 ( 0.000 15.047 -3.671) 15.488 19.937 ( 0.000 4.802 -4.380) 6.499 20.154 ( 0.000 14.705 -12.618) 19.377 20.251 ( 0.000 30.265 11.802) 32.485 20.682 ( -0.000 -5.936 -2.172) 6.321 20.691 ( 0.000 -4.134 -7.582) 8.636 20.949 ( 0.000 0.197 -3.681) 3.687 20.970 ( -0.000 0.121 1.819) 1.823 21.182 ( 0.000 0.106 -4.192) 4.193 21.246 ( -0.000 5.106 4.389) 6.733 21.677 ( 0.000 5.581 0.981) 5.667 21.690 ( -0.000 1.911 2.430) 3.092 21.800 ( 0.000 0.325 1.019) 1.069 21.972 ( 0.000 6.064 -4.854) 7.767 22.043 ( 0.000 0.359 -2.014) 2.046 22.186 ( 0.000 0.241 -2.152) 2.165 22.259 ( 0.000 0.829 0.410) 0.925 22.377 ( 0.000 5.448 -1.414) 5.629 22.405 ( 0.000 -2.217 1.294) 2.567 22.472 ( 0.000 3.916 1.154) 4.083 22.625 ( 0.000 -5.106 -3.034) 5.940 22.674 ( 0.000 -2.924 -2.488) 3.839 22.923 ( 0.000 -2.720 -5.866) 6.466 22.960 ( 0.000 -2.003 -3.216) 3.789 23.049 ( 0.000 -4.899 -1.360) 5.084 23.097 ( 0.000 -2.832 0.214) 2.840 23.170 ( 0.000 3.479 -5.676) 6.657 23.209 ( -0.000 2.666 -2.068) 3.374 23.435 ( 0.000 2.413 -1.011) 2.617 23.445 ( -0.000 1.705 -5.930) 6.170 23.505 ( -0.000 -1.658 -2.271) 2.812 23.622 ( 0.000 0.445 3.531) 3.559 23.717 ( 0.000 -1.000 6.659) 6.734 23.747 ( 0.000 2.598 3.364) 4.250 23.927 ( 0.000 -4.152 5.941) 7.248 23.989 ( 0.000 0.191 2.264) 2.272 24.110 ( -0.000 -1.203 -1.888) 2.239 24.239 ( 0.000 3.230 -2.929) 4.360 24.344 ( 0.000 -2.356 -3.169) 3.949 24.420 ( 0.000 1.318 -1.312) 1.860 24.683 ( 0.000 -0.916 1.840) 2.056 24.803 ( 0.000 3.978 4.004) 5.644 24.967 ( 0.000 0.183 4.180) 4.184 24.996 ( -0.000 0.454 7.653) 7.666 25.358 ( 0.000 -1.792 6.039) 6.299 25.426 ( 0.000 -0.792 3.785) 3.867 25.568 ( 0.000 -6.680 -2.488) 7.128 25.706 ( -0.000 3.945 1.537) 4.234 25.774 ( 0.000 2.468 0.922) 2.635 25.991 ( 0.000 7.900 0.367) 7.909 26.207 ( 0.000 -1.383 1.052) 1.738 26.223 ( -0.000 -1.180 0.042) 1.181 26.363 ( 0.000 -5.719 -0.445) 5.736 26.368 ( -0.000 -4.011 -1.986) 4.475 26.612 ( 0.000 4.027 -1.511) 4.301 26.654 ( 0.000 4.932 -3.599) 6.106 26.750 ( 0.000 -7.724 1.257) 7.826 26.871 ( -0.000 -4.913 -1.002) 5.014 27.010 ( 0.000 3.687 -1.237) 3.889 27.081 ( 0.000 1.272 -1.173) 1.731 27.333 ( 0.000 -3.540 -3.781) 5.179 27.462 ( 0.000 -2.599 0.872) 2.741 27.677 ( 0.000 5.342 1.876) 5.662 27.693 ( -0.000 -2.678 4.222) 5.000 27.919 ( 0.000 4.195 0.011) 4.195 27.974 ( -0.000 3.922 3.311) 5.132 28.435 ( 0.000 -4.020 6.539) 7.676 28.507 ( 0.000 -1.923 4.041) 4.475 28.714 ( 0.000 -3.312 0.382) 3.334 28.716 ( -0.000 -3.771 3.223) 4.961 29.273 ( 0.000 2.865 2.914) 4.086 29.319 ( -0.000 5.508 2.639) 6.107 29.567 ( 0.000 -1.596 3.652) 3.985 29.669 ( 0.000 1.023 5.061) 5.163 30.001 ( -0.000 1.307 0.156) 1.316 30.047 ( 0.000 2.194 -0.421) 2.234 30.184 ( -0.000 -2.001 -4.227) 4.677 30.205 ( 0.000 -1.158 -2.355) 2.624 30.331 ( 0.000 -0.314 -6.956) 6.963 30.341 ( -0.000 0.151 -3.659) 3.662 30.484 ( -0.000 -1.767 -1.611) 2.391 30.484 ( 0.000 -1.138 -0.703) 1.338 30.528 ( 0.000 -1.702 -2.213) 2.792 30.633 ( 0.000 2.917 -3.500) 4.557 30.715 ( -0.000 0.325 -5.621) 5.631 30.717 ( 0.000 0.409 -5.606) 5.621 33.587 ( 0.000 0.178 5.190) 5.193 33.596 ( -0.000 0.624 5.228) 5.266 33.647 ( -0.000 -0.746 4.058) 4.126 33.658 ( 0.000 -0.200 4.027) 4.032 ======================= Grid point 163 (38/60) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.771 ( 1.039 1.039 -1.914) 2.413 3.945 ( 5.015 5.015 -13.636) 15.370 5.249 ( 1.892 1.892 15.910) 16.133 5.589 ( 4.835 4.835 10.910) 12.876 5.690 ( 4.052 4.052 26.801) 27.407 6.138 ( -7.505 -7.505 9.616) 14.322 6.859 ( 25.714 25.714 36.629) 51.615 7.672 ( 19.329 19.329 35.343) 44.680 8.078 ( -12.552 -12.552 27.232) 32.506 8.420 ( -17.337 -17.337 16.733) 29.684 8.736 ( -1.141 -1.141 25.107) 25.158 8.858 ( -2.504 -2.504 11.712) 12.236 9.399 ( 1.103 1.103 28.927) 28.969 9.893 ( -3.635 -3.635 29.795) 30.235 10.100 ( 9.556 9.556 1.877) 13.644 10.351 ( 1.619 1.619 -0.575) 2.360 10.650 ( -1.516 -1.516 6.419) 6.767 10.908 ( 10.246 10.246 4.017) 15.036 11.277 ( 10.831 10.831 3.772) 15.775 11.369 ( 3.219 3.219 3.027) 5.467 11.618 ( 10.852 10.852 10.272) 18.467 11.709 ( -2.611 -2.611 -14.400) 14.866 11.912 ( 11.162 11.162 -10.382) 18.894 12.208 ( 0.860 0.860 16.191) 16.237 12.335 ( -2.180 -2.180 -9.155) 9.660 12.575 ( -3.213 -3.213 -30.565) 30.901 12.794 ( -1.078 -1.078 1.907) 2.442 12.850 ( -5.234 -5.234 -14.756) 16.508 13.054 ( -11.986 -11.986 -31.182) 35.491 13.153 ( -4.830 -4.830 -1.586) 7.013 13.345 ( 1.061 1.061 -1.231) 1.941 13.581 ( 5.078 5.078 -4.636) 8.547 13.702 ( -5.557 -5.557 -2.469) 8.238 13.798 ( -5.219 -5.219 -2.622) 7.833 14.033 ( 3.778 3.778 -8.357) 9.919 14.711 ( 3.495 3.495 -4.629) 6.771 14.720 ( 5.188 5.188 -5.311) 9.058 14.871 ( -2.747 -2.747 -5.945) 7.102 15.323 ( -7.448 -7.448 6.810) 12.543 15.634 ( 3.039 3.039 -5.849) 7.258 15.807 ( -1.035 -1.035 -0.131) 1.470 15.898 ( -0.066 -0.066 1.855) 1.857 16.144 ( -8.063 -8.063 -0.822) 11.432 16.399 ( -8.423 -8.423 0.684) 11.932 16.596 ( 4.943 4.943 -5.735) 9.042 16.792 ( -6.134 -6.134 3.177) 9.239 16.922 ( -3.296 -3.296 -4.545) 6.510 16.961 ( 1.015 1.015 -1.391) 1.999 17.061 ( -4.312 -4.312 -2.419) 6.561 17.169 ( -5.480 -5.480 0.099) 7.751 17.264 ( -0.506 -0.506 -1.079) 1.294 17.387 ( -6.430 -6.430 -3.865) 9.881 17.508 ( -3.953 -3.953 -4.873) 7.416 17.628 ( -2.550 -2.550 -4.357) 5.656 17.646 ( 0.190 0.190 2.110) 2.127 17.838 ( -5.745 -5.745 0.304) 8.130 17.899 ( -9.333 -9.333 -1.430) 13.277 18.024 ( -4.069 -4.069 2.999) 6.488 18.138 ( -3.160 -3.160 0.275) 4.477 18.192 ( -3.073 -3.073 -4.114) 5.984 18.322 ( -1.095 -1.095 -6.647) 6.825 18.378 ( -3.109 -3.109 4.282) 6.138 18.467 ( 1.084 1.084 13.657) 13.742 18.548 ( 2.281 2.281 5.507) 6.382 18.627 ( 1.657 1.657 3.867) 4.522 18.840 ( -1.749 -1.749 5.893) 6.391 19.117 ( -4.069 -4.069 -3.048) 6.512 19.356 ( 1.462 1.462 -0.294) 2.089 19.439 ( -0.038 -0.038 2.501) 2.502 19.502 ( 3.731 3.731 -11.546) 12.694 19.649 ( 0.818 0.818 -6.743) 6.841 19.710 ( 3.774 3.774 0.921) 5.416 19.875 ( -2.154 -2.154 -9.317) 9.802 20.031 ( 1.047 1.047 -5.641) 5.832 20.450 ( 5.401 5.401 -9.828) 12.447 20.553 ( 1.844 1.844 -3.764) 4.579 20.649 ( 1.814 1.814 -11.461) 11.744 20.699 ( 2.057 2.057 -1.886) 3.467 20.925 ( 8.105 8.105 12.259) 16.784 20.965 ( 6.147 6.147 1.479) 8.819 21.163 ( 8.976 8.976 3.870) 13.271 21.356 ( -2.249 -2.249 8.002) 8.610 21.443 ( 12.927 12.927 7.531) 19.773 21.794 ( 2.233 2.233 -3.057) 4.396 21.844 ( 2.672 2.672 0.252) 3.787 22.033 ( 3.394 3.394 -4.891) 6.852 22.104 ( 0.540 0.540 -0.433) 0.878 22.168 ( -2.684 -2.684 -2.610) 4.607 22.274 ( 4.906 4.906 0.032) 6.938 22.330 ( -0.376 -0.376 -1.171) 1.287 22.445 ( 0.814 0.814 1.841) 2.171 22.501 ( -0.971 -0.971 0.452) 1.445 22.591 ( -3.504 -3.504 -3.801) 6.245 22.700 ( -4.364 -4.364 -3.399) 7.046 22.903 ( -3.505 -3.505 -3.424) 6.025 22.920 ( -1.127 -1.127 -5.890) 6.102 23.010 ( -4.813 -4.813 -2.678) 7.314 23.069 ( -1.262 -1.262 -0.574) 1.875 23.155 ( 6.544 6.544 -6.534) 11.329 23.262 ( 1.510 1.510 -2.694) 3.438 23.402 ( 0.665 0.665 -5.568) 5.646 23.499 ( -0.038 -0.038 -3.636) 3.637 23.540 ( -1.777 -1.777 -3.536) 4.338 23.591 ( -0.448 -0.448 8.271) 8.295 23.696 ( 1.517 1.517 9.242) 9.488 23.789 ( 1.338 1.338 4.512) 4.893 23.877 ( -1.683 -1.683 4.764) 5.326 23.998 ( 1.543 1.543 1.346) 2.564 24.106 ( -1.264 -1.264 0.130) 1.792 24.252 ( 0.974 0.974 -1.406) 1.968 24.304 ( -1.337 -1.337 -3.723) 4.175 24.459 ( -1.566 -1.566 -2.882) 3.635 24.662 ( 2.454 2.454 0.410) 3.495 24.868 ( 0.784 0.784 0.719) 1.322 24.916 ( 3.457 3.457 9.149) 10.373 25.046 ( -2.801 -2.801 7.941) 8.874 25.330 ( 1.616 1.616 4.290) 4.861 25.425 ( -2.125 -2.125 2.595) 3.971 25.467 ( -2.431 -2.431 -3.101) 4.630 25.701 ( 4.816 4.816 5.037) 8.472 25.936 ( -0.231 -0.231 2.499) 2.521 25.977 ( 5.345 5.345 0.083) 7.560 26.173 ( -1.455 -1.455 -2.203) 3.015 26.224 ( -2.560 -2.560 -1.263) 3.834 26.307 ( -2.745 -2.745 1.051) 4.021 26.346 ( -1.465 -1.465 1.061) 2.328 26.627 ( -4.464 -4.464 1.923) 6.599 26.654 ( 4.131 4.131 -2.782) 6.471 26.728 ( 2.655 2.655 -4.226) 5.653 26.823 ( -3.661 -3.661 -2.072) 5.576 27.065 ( -0.615 -0.615 -1.298) 1.562 27.117 ( -3.848 -3.848 -4.437) 7.022 27.325 ( 1.502 1.502 0.049) 2.125 27.366 ( -0.826 -0.826 -2.865) 3.094 27.641 ( -1.615 -1.615 4.364) 4.926 27.776 ( 1.885 1.885 3.780) 4.626 27.933 ( 6.178 6.178 0.990) 8.793 28.076 ( -0.347 -0.347 2.971) 3.012 28.397 ( -2.950 -2.950 6.972) 8.124 28.480 ( -5.443 -5.443 7.396) 10.674 28.629 ( -0.262 -0.262 0.094) 0.383 28.691 ( -1.880 -1.880 0.272) 2.672 29.302 ( 3.080 3.080 5.585) 7.083 29.370 ( 4.944 4.944 1.499) 7.150 29.587 ( -0.646 -0.646 3.032) 3.166 29.660 ( -1.787 -1.787 2.801) 3.772 30.020 ( 2.943 2.943 1.080) 4.300 30.069 ( 1.504 1.504 -1.287) 2.485 30.155 ( -1.179 -1.179 -3.698) 4.056 30.192 ( -1.227 -1.227 -3.887) 4.257 30.313 ( 0.067 0.067 -4.082) 4.083 30.360 ( -1.888 -1.888 -4.354) 5.108 30.454 ( -0.571 -0.571 -2.292) 2.430 30.481 ( -0.971 -0.971 -1.106) 1.764 30.512 ( -0.857 -0.857 -1.839) 2.203 30.670 ( 1.177 1.177 -3.553) 3.924 30.704 ( 1.014 1.014 -5.236) 5.429 30.727 ( 0.267 0.267 -5.470) 5.483 33.587 ( 0.418 0.418 5.243) 5.276 33.617 ( 0.098 0.098 4.611) 4.613 33.621 ( 0.054 0.054 4.635) 4.636 33.661 ( -0.716 -0.716 3.999) 4.126 ======================= Grid point 164 (39/60) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.780 ( 0.000 0.364 -1.329) 1.378 3.994 ( 0.000 5.174 -14.864) 15.739 5.271 ( 0.000 1.886 14.154) 14.279 5.589 ( 0.000 11.860 16.210) 20.086 5.824 ( 0.000 -5.823 18.766) 19.649 6.015 ( -0.000 -6.335 10.232) 12.034 7.273 ( 0.000 19.024 29.566) 35.157 7.681 ( 0.000 11.442 37.313) 39.028 8.001 ( 0.000 7.993 32.312) 33.286 8.249 ( 0.000 -23.085 17.652) 29.060 8.676 ( 0.000 13.530 22.628) 26.365 8.850 ( 0.000 -0.880 15.606) 15.631 9.489 ( -0.000 -11.404 15.481) 19.228 9.668 ( 0.000 -24.553 33.786) 41.765 10.292 ( 0.000 3.025 -5.619) 6.382 10.427 ( 0.000 10.319 -4.714) 11.345 10.623 ( 0.000 -6.357 -0.246) 6.361 10.996 ( 0.000 35.323 8.235) 36.270 11.440 ( -0.000 18.699 9.799) 21.111 11.480 ( 0.000 11.255 0.256) 11.257 11.642 ( 0.000 13.524 28.830) 31.845 11.655 ( -0.000 -2.042 -10.801) 10.992 12.051 ( 0.000 10.854 -12.704) 16.709 12.191 ( 0.000 -4.455 -7.970) 9.131 12.404 ( 0.000 -4.374 6.051) 7.466 12.524 ( 0.000 -3.687 -29.390) 29.620 12.743 ( 0.000 -11.862 5.178) 12.942 12.795 ( 0.000 -14.821 -19.499) 24.492 12.933 ( 0.000 -7.017 -25.290) 26.245 13.049 ( 0.000 -1.755 5.618) 5.885 13.376 ( 0.000 5.979 2.883) 6.638 13.576 ( -0.000 -1.961 -2.375) 3.080 13.639 ( 0.000 -4.921 -0.999) 5.021 13.765 ( -0.000 -4.085 -4.411) 6.012 14.102 ( 0.000 1.449 -9.712) 9.819 14.700 ( 0.000 7.455 -0.199) 7.458 14.780 ( 0.000 6.058 -4.896) 7.790 14.849 ( -0.000 -5.869 -9.687) 11.326 15.265 ( 0.000 -2.030 9.013) 9.239 15.635 ( 0.000 -1.391 -7.570) 7.696 15.836 ( -0.000 -2.327 2.350) 3.307 15.909 ( 0.000 -1.519 1.062) 1.853 16.093 ( 0.000 -9.890 -2.791) 10.276 16.232 ( -0.000 -5.455 -0.800) 5.514 16.681 ( 0.000 -8.454 3.494) 9.147 16.783 ( 0.000 0.741 -3.654) 3.729 16.827 ( -0.000 0.361 -12.377) 12.382 16.972 ( 0.000 -1.898 -1.257) 2.277 17.056 ( 0.000 -2.855 -0.226) 2.864 17.110 ( 0.000 -2.343 1.293) 2.676 17.238 ( 0.000 -0.094 -8.356) 8.356 17.313 ( 0.000 -5.588 -3.583) 6.638 17.505 ( -0.000 -2.366 -2.342) 3.329 17.552 ( 0.000 -1.128 -7.895) 7.975 17.691 ( 0.000 -4.692 -0.755) 4.752 17.717 ( -0.000 -7.089 -0.351) 7.098 17.873 ( -0.000 -8.658 0.673) 8.684 17.961 ( 0.000 -6.279 1.072) 6.370 18.122 ( -0.000 -2.478 2.013) 3.193 18.132 ( 0.000 -5.404 5.663) 7.827 18.310 ( 0.000 -0.277 -12.514) 12.517 18.351 ( 0.000 -4.335 5.361) 6.895 18.479 ( 0.000 -0.290 14.459) 14.462 18.614 ( -0.000 4.312 -0.068) 4.313 18.619 ( 0.000 4.837 4.253) 6.440 18.827 ( 0.000 -4.912 2.653) 5.582 19.062 ( 0.000 -3.923 -2.992) 4.934 19.342 ( -0.000 5.848 1.633) 6.072 19.469 ( 0.000 -3.997 -1.018) 4.125 19.586 ( 0.000 2.961 -15.222) 15.508 19.634 ( -0.000 6.438 -3.817) 7.484 19.698 ( -0.000 3.068 2.387) 3.888 19.904 ( 0.000 -6.781 -5.086) 8.476 20.013 ( -0.000 0.979 -4.426) 4.533 20.470 ( 0.000 10.930 -8.599) 13.907 20.599 ( 0.000 -1.326 -9.018) 9.115 20.603 ( 0.000 1.836 -11.804) 11.946 20.738 ( 0.000 7.642 2.758) 8.125 20.969 ( 0.000 0.530 -5.573) 5.598 21.083 ( 0.000 14.095 14.177) 19.991 21.244 ( 0.000 9.469 4.361) 10.425 21.351 ( -0.000 5.546 8.485) 10.137 21.681 ( 0.000 -2.731 10.795) 11.135 21.809 ( 0.000 8.688 -2.903) 9.160 21.826 ( 0.000 4.194 0.150) 4.197 22.060 ( 0.000 3.009 -5.860) 6.588 22.105 ( 0.000 2.360 -2.058) 3.131 22.149 ( 0.000 -3.370 -0.817) 3.468 22.271 ( 0.000 -12.481 -0.022) 12.481 22.364 ( 0.000 10.389 -1.507) 10.497 22.410 ( -0.000 -4.499 4.250) 6.189 22.527 ( 0.000 2.490 -1.350) 2.833 22.572 ( -0.000 0.429 -3.328) 3.355 22.635 ( -0.000 -0.358 -2.553) 2.578 22.859 ( -0.000 -5.099 -5.298) 7.353 22.920 ( 0.000 -1.608 -5.354) 5.590 22.949 ( 0.000 -4.701 -4.978) 6.847 23.054 ( 0.000 -1.503 -0.095) 1.506 23.254 ( 0.000 2.138 -2.328) 3.161 23.261 ( -0.000 6.196 -6.310) 8.844 23.419 ( 0.000 -3.292 -5.722) 6.602 23.463 ( -0.000 -0.985 -3.486) 3.622 23.521 ( 0.000 1.704 -3.062) 3.504 23.600 ( 0.000 -0.965 9.682) 9.730 23.718 ( -0.000 1.747 9.695) 9.851 23.800 ( 0.000 1.926 3.330) 3.847 23.859 ( 0.000 -3.202 5.147) 6.062 24.021 ( 0.000 3.359 1.159) 3.553 24.089 ( -0.000 -1.076 -0.425) 1.157 24.238 ( 0.000 -3.203 0.517) 3.245 24.319 ( 0.000 -0.107 -5.708) 5.709 24.433 ( 0.000 0.136 -1.242) 1.249 24.689 ( 0.000 1.083 -1.575) 1.912 24.871 ( 0.000 3.481 2.694) 4.402 24.982 ( 0.000 0.693 7.275) 7.308 24.990 ( -0.000 -0.896 10.848) 10.885 25.359 ( 0.000 1.634 4.831) 5.100 25.391 ( 0.000 -2.186 0.474) 2.237 25.447 ( 0.000 -5.239 -3.371) 6.230 25.780 ( 0.000 3.584 6.880) 7.757 25.865 ( -0.000 5.776 3.281) 6.643 26.104 ( 0.000 2.924 -0.273) 2.937 26.155 ( 0.000 -4.352 -2.080) 4.824 26.170 ( -0.000 -1.503 -1.416) 2.065 26.267 ( -0.000 -3.636 2.563) 4.449 26.332 ( 0.000 -1.723 0.387) 1.765 26.585 ( 0.000 -6.043 1.370) 6.196 26.720 ( 0.000 1.449 -1.671) 2.212 26.728 ( -0.000 5.523 -4.676) 7.237 26.804 ( 0.000 -1.284 -4.523) 4.701 27.047 ( -0.000 -4.069 -4.463) 6.040 27.069 ( 0.000 2.367 -2.878) 3.727 27.322 ( 0.000 1.800 -2.421) 3.017 27.392 ( 0.000 -3.590 -1.067) 3.746 27.598 ( 0.000 -6.120 3.208) 6.910 27.816 ( 0.000 7.950 6.190) 10.075 28.023 ( 0.000 5.639 1.600) 5.862 28.046 ( -0.000 3.745 3.222) 4.941 28.360 ( 0.000 -3.679 8.040) 8.841 28.418 ( -0.000 -7.105 7.039) 10.002 28.650 ( 0.000 -2.522 0.466) 2.565 28.654 ( -0.000 -2.656 -0.553) 2.713 29.327 ( 0.000 2.248 5.358) 5.810 29.437 ( -0.000 6.642 3.138) 7.346 29.564 ( 0.000 1.000 0.611) 1.172 29.647 ( 0.000 -3.155 3.096) 4.420 30.055 ( 0.000 3.815 0.762) 3.890 30.077 ( 0.000 0.532 -3.010) 3.057 30.152 ( -0.000 -0.861 -3.205) 3.319 30.176 ( 0.000 -1.734 -2.536) 3.072 30.312 ( 0.000 -1.749 -6.588) 6.816 30.336 ( 0.000 -0.681 -1.414) 1.569 30.458 ( 0.000 -0.443 -2.078) 2.124 30.466 ( -0.000 -0.677 -1.516) 1.660 30.503 ( 0.000 -1.249 -2.148) 2.485 30.679 ( 0.000 1.893 -3.517) 3.994 30.722 ( -0.000 0.305 -5.200) 5.209 30.724 ( 0.000 0.210 -5.141) 5.145 33.594 ( 0.000 0.552 4.863) 4.894 33.610 ( -0.000 0.748 5.003) 5.058 33.631 ( 0.000 -0.910 4.368) 4.462 33.651 ( 0.000 -0.534 4.243) 4.277 ======================= Grid point 174 (40/60) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.783 ( 0.000 0.000 -0.658) 0.658 4.046 ( 0.000 0.000 -16.525) 16.525 5.294 ( 0.000 0.000 13.523) 13.523 5.763 ( 0.000 0.000 20.105) 20.105 5.763 ( 0.000 0.000 20.105) 20.105 5.895 ( 0.000 0.000 5.319) 5.319 7.666 ( -0.000 -0.000 19.871) 19.871 7.793 ( -0.000 -0.000 24.678) 24.678 7.793 ( 0.000 0.000 24.678) 24.678 8.090 ( 0.000 0.000 41.787) 41.787 8.930 ( -0.000 -0.000 12.726) 12.726 8.930 ( 0.000 0.000 12.726) 12.726 9.254 ( 0.000 0.000 26.101) 26.101 9.324 ( 0.000 0.000 46.276) 46.276 10.370 ( 0.000 0.000 -7.317) 7.317 10.525 ( -0.000 -0.000 -6.451) 6.451 10.525 ( 0.000 0.000 -6.451) 6.451 11.402 ( -0.000 -0.000 -33.395) 33.395 11.545 ( -0.000 -0.000 -11.364) 11.364 11.545 ( 0.000 0.000 -11.364) 11.364 11.938 ( 0.000 0.000 27.532) 27.532 11.975 ( -0.000 -0.000 28.978) 28.978 11.975 ( 0.000 0.000 28.978) 28.978 12.276 ( -0.000 -0.000 1.089) 1.089 12.383 ( -0.000 -0.000 -5.905) 5.905 12.383 ( 0.000 0.000 -5.905) 5.905 12.441 ( 0.000 0.000 -28.721) 28.721 12.574 ( 0.000 0.000 -15.390) 15.390 12.930 ( 0.000 0.000 -12.304) 12.304 13.017 ( 0.000 0.000 14.785) 14.785 13.387 ( 0.000 0.000 -1.637) 1.637 13.387 ( 0.000 0.000 -1.637) 1.637 13.732 ( 0.000 0.000 -0.990) 0.990 13.732 ( 0.000 0.000 -0.990) 0.990 14.115 ( 0.000 0.000 -10.829) 10.829 14.799 ( -0.000 -0.000 -11.988) 11.988 14.799 ( 0.000 0.000 -11.988) 11.988 14.802 ( -0.000 -0.000 8.383) 8.383 15.248 ( 0.000 0.000 9.934) 9.934 15.566 ( 0.000 0.000 -9.082) 9.082 15.912 ( 0.000 0.000 4.171) 4.171 15.912 ( 0.000 0.000 4.171) 4.171 15.980 ( 0.000 0.000 -1.571) 1.571 16.120 ( -0.000 -0.000 -4.956) 4.956 16.601 ( 0.000 0.000 2.225) 2.225 16.842 ( -0.000 -0.000 -13.862) 13.862 16.842 ( 0.000 0.000 -13.862) 13.862 16.987 ( -0.000 -0.000 4.404) 4.404 16.996 ( -0.000 -0.000 -1.122) 1.122 16.996 ( 0.000 0.000 -1.122) 1.122 17.251 ( 0.000 0.000 -3.086) 3.086 17.297 ( 0.000 0.000 -12.861) 12.861 17.494 ( 0.000 0.000 -10.059) 10.059 17.494 ( 0.000 0.000 -10.059) 10.059 17.617 ( -0.000 -0.000 6.199) 6.199 17.776 ( 0.000 0.000 4.673) 4.673 17.776 ( 0.000 0.000 4.673) 4.673 17.825 ( -0.000 -0.000 -8.105) 8.105 18.092 ( 0.000 0.000 6.942) 6.942 18.092 ( -0.000 -0.000 6.942) 6.942 18.299 ( 0.000 0.000 8.580) 8.580 18.315 ( 0.000 0.000 -17.278) 17.278 18.477 ( 0.000 0.000 16.349) 16.349 18.683 ( 0.000 0.000 3.304) 3.304 18.683 ( 0.000 0.000 3.304) 3.304 18.763 ( 0.000 0.000 -6.830) 6.830 18.986 ( -0.000 -0.000 -5.004) 5.004 19.424 ( 0.000 0.000 1.219) 1.219 19.424 ( 0.000 0.000 1.219) 1.219 19.663 ( -0.000 -0.000 -4.587) 4.587 19.670 ( 0.000 0.000 -21.406) 21.406 19.778 ( -0.000 -0.000 4.288) 4.288 19.778 ( 0.000 0.000 4.288) 4.288 19.996 ( -0.000 -0.000 -3.281) 3.281 20.521 ( 0.000 0.000 -7.487) 7.487 20.616 ( 0.000 0.000 -17.474) 17.474 20.616 ( 0.000 0.000 -17.474) 17.474 20.782 ( 0.000 0.000 5.309) 5.309 20.964 ( 0.000 0.000 -5.403) 5.403 21.252 ( 0.000 0.000 11.224) 11.224 21.424 ( -0.000 -0.000 11.360) 11.360 21.424 ( -0.000 -0.000 11.360) 11.360 21.614 ( 0.000 0.000 13.339) 13.339 21.976 ( -0.000 -0.000 -4.308) 4.308 21.976 ( 0.000 0.000 -4.308) 4.308 22.023 ( -0.000 -0.000 0.141) 0.141 22.023 ( 0.000 0.000 -4.042) 4.042 22.122 ( 0.000 0.000 -0.826) 0.826 22.122 ( 0.000 0.000 -0.826) 0.826 22.318 ( 0.000 0.000 6.166) 6.166 22.495 ( 0.000 0.000 -1.572) 1.572 22.560 ( -0.000 -0.000 -2.169) 2.169 22.631 ( 0.000 0.000 -1.460) 1.460 22.631 ( 0.000 0.000 -1.460) 1.460 22.747 ( -0.000 -0.000 -6.776) 6.776 22.907 ( 0.000 0.000 -6.981) 6.981 22.907 ( 0.000 0.000 -6.981) 6.981 23.041 ( 0.000 0.000 0.100) 0.100 23.279 ( 0.000 0.000 -1.003) 1.003 23.377 ( -0.000 -0.000 -7.259) 7.259 23.377 ( 0.000 0.000 -7.259) 7.259 23.392 ( -0.000 -0.000 -3.668) 3.668 23.537 ( 0.000 0.000 -0.294) 0.294 23.600 ( -0.000 -0.000 11.947) 11.947 23.756 ( 0.000 0.000 10.180) 10.180 23.814 ( 0.000 0.000 3.121) 3.121 23.814 ( 0.000 0.000 3.121) 3.121 24.077 ( 0.000 0.000 0.310) 0.310 24.077 ( 0.000 0.000 0.310) 0.310 24.182 ( -0.000 -0.000 1.311) 1.311 24.320 ( 0.000 0.000 -4.729) 4.729 24.432 ( 0.000 0.000 -1.347) 1.347 24.703 ( 0.000 0.000 -3.282) 3.282 24.918 ( 0.000 0.000 -0.294) 0.294 24.978 ( 0.000 0.000 11.918) 11.918 24.978 ( 0.000 0.000 11.918) 11.918 25.380 ( 0.000 0.000 -9.326) 9.326 25.383 ( -0.000 -0.000 4.112) 4.112 25.383 ( 0.000 0.000 4.112) 4.112 25.819 ( 0.000 0.000 11.646) 11.646 25.939 ( 0.000 0.000 6.430) 6.430 26.090 ( -0.000 -0.000 -6.075) 6.075 26.090 ( 0.000 0.000 -6.075) 6.075 26.235 ( -0.000 -0.000 4.073) 4.073 26.235 ( 0.000 0.000 4.073) 4.073 26.262 ( 0.000 0.000 -0.775) 0.775 26.530 ( 0.000 0.000 -0.172) 0.172 26.723 ( 0.000 0.000 -0.819) 0.819 26.805 ( 0.000 0.000 -5.186) 5.186 26.805 ( 0.000 0.000 -5.186) 5.186 26.987 ( 0.000 0.000 -6.527) 6.527 27.093 ( 0.000 0.000 -4.810) 4.810 27.354 ( 0.000 0.000 -0.937) 0.937 27.354 ( 0.000 0.000 -0.937) 0.937 27.523 ( 0.000 0.000 2.716) 2.716 27.906 ( 0.000 0.000 7.431) 7.431 28.087 ( 0.000 0.000 2.316) 2.316 28.098 ( 0.000 0.000 3.130) 3.130 28.318 ( 0.000 0.000 8.210) 8.210 28.318 ( 0.000 0.000 8.210) 8.210 28.628 ( 0.000 0.000 -0.565) 0.565 28.628 ( 0.000 0.000 -0.565) 0.565 29.348 ( 0.000 0.000 6.535) 6.535 29.537 ( -0.000 -0.000 6.316) 6.316 29.579 ( 0.000 0.000 -0.673) 0.673 29.579 ( 0.000 0.000 -0.673) 0.673 30.075 ( -0.000 -0.000 -5.945) 5.945 30.107 ( -0.000 -0.000 -0.158) 0.158 30.150 ( 0.000 0.000 -0.920) 0.920 30.150 ( 0.000 0.000 -0.920) 0.920 30.288 ( 0.000 0.000 -6.876) 6.876 30.326 ( 0.000 0.000 -0.579) 0.579 30.460 ( 0.000 0.000 -1.897) 1.897 30.460 ( 0.000 0.000 -1.897) 1.897 30.487 ( 0.000 0.000 -2.669) 2.669 30.699 ( 0.000 0.000 -3.425) 3.425 30.725 ( 0.000 0.000 -5.023) 5.023 30.725 ( 0.000 0.000 -5.023) 5.023 33.603 ( 0.000 0.000 4.408) 4.408 33.619 ( 0.000 0.000 4.815) 4.815 33.619 ( 0.000 0.000 4.815) 4.815 33.643 ( 0.000 0.000 4.426) 4.426 ======================= Grid point 196 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 0.000 0.000 -1.749) 1.749 3.513 ( 0.000 0.000 -1.749) 1.749 5.488 ( 0.000 0.000 2.364) 2.364 5.517 ( 0.000 0.000 3.138) 3.138 6.599 ( 0.000 0.000 5.670) 5.670 6.626 ( 0.000 0.000 60.724) 60.724 6.626 ( 0.000 0.000 60.724) 60.724 6.676 ( 0.000 0.000 4.807) 4.807 8.536 ( 0.000 0.000 -31.694) 31.694 8.536 ( 0.000 0.000 -31.694) 31.694 9.780 ( 0.000 0.000 6.687) 6.687 9.780 ( 0.000 0.000 6.687) 6.687 9.811 ( 0.000 0.000 16.364) 16.364 9.996 ( 0.000 0.000 66.235) 66.235 10.224 ( 0.000 0.000 46.488) 46.488 10.864 ( 0.000 0.000 6.609) 6.609 10.864 ( 0.000 0.000 6.609) 6.609 11.099 ( 0.000 0.000 -2.193) 2.193 11.099 ( 0.000 0.000 -2.193) 2.193 11.166 ( 0.000 0.000 3.734) 3.734 11.199 ( 0.000 0.000 -12.280) 12.280 11.474 ( 0.000 0.000 2.054) 2.054 11.789 ( 0.000 0.000 -29.934) 29.934 11.964 ( 0.000 0.000 12.434) 12.434 11.964 ( 0.000 0.000 12.434) 12.434 12.204 ( 0.000 0.000 -2.410) 2.410 12.258 ( 0.000 0.000 -32.059) 32.059 12.961 ( 0.000 0.000 -11.011) 11.011 12.961 ( 0.000 0.000 -11.011) 11.011 13.018 ( 0.000 0.000 -10.486) 10.486 13.183 ( 0.000 0.000 -8.311) 8.311 13.183 ( 0.000 0.000 -8.311) 8.311 13.538 ( 0.000 0.000 3.447) 3.447 13.783 ( 0.000 0.000 -4.743) 4.743 14.070 ( 0.000 0.000 -3.120) 3.120 14.070 ( 0.000 0.000 -3.120) 3.120 14.633 ( 0.000 0.000 -10.101) 10.101 14.698 ( 0.000 0.000 -9.343) 9.343 15.461 ( 0.000 0.000 -5.754) 5.754 15.461 ( 0.000 0.000 -5.754) 5.754 15.735 ( 0.000 0.000 5.936) 5.936 15.996 ( 0.000 0.000 -3.113) 3.113 16.496 ( 0.000 0.000 -13.673) 13.673 16.496 ( 0.000 0.000 -13.673) 13.673 16.820 ( 0.000 0.000 4.567) 4.567 17.067 ( 0.000 0.000 -24.354) 24.354 17.216 ( 0.000 0.000 -0.402) 0.402 17.216 ( 0.000 0.000 -0.402) 0.402 17.351 ( 0.000 0.000 3.949) 3.949 17.351 ( 0.000 0.000 3.949) 3.949 17.446 ( 0.000 0.000 15.206) 15.206 17.685 ( 0.000 0.000 3.102) 3.102 17.882 ( 0.000 0.000 4.292) 4.292 17.882 ( 0.000 0.000 4.292) 4.292 17.960 ( 0.000 0.000 3.225) 3.225 17.983 ( 0.000 0.000 0.469) 0.469 17.983 ( 0.000 0.000 0.469) 0.469 18.154 ( 0.000 0.000 22.884) 22.884 18.174 ( 0.000 0.000 -8.402) 8.402 18.297 ( 0.000 0.000 -3.380) 3.380 18.348 ( 0.000 0.000 -7.314) 7.314 18.751 ( 0.000 0.000 8.994) 8.994 18.751 ( 0.000 0.000 8.994) 8.994 18.843 ( 0.000 0.000 10.335) 10.335 18.945 ( 0.000 0.000 5.758) 5.758 19.223 ( 0.000 0.000 3.261) 3.261 19.223 ( 0.000 0.000 3.261) 3.261 19.225 ( 0.000 0.000 -2.513) 2.513 19.291 ( 0.000 0.000 -20.596) 20.596 19.407 ( 0.000 0.000 5.796) 5.796 19.407 ( 0.000 0.000 5.796) 5.796 19.607 ( 0.000 0.000 -21.231) 21.231 19.677 ( 0.000 0.000 -9.541) 9.541 19.677 ( 0.000 0.000 -9.541) 9.541 19.876 ( 0.000 0.000 16.066) 16.066 20.226 ( 0.000 0.000 -3.690) 3.690 20.460 ( 0.000 0.000 4.229) 4.229 20.471 ( 0.000 0.000 -0.432) 0.432 20.471 ( 0.000 0.000 -0.432) 0.432 20.963 ( 0.000 0.000 -13.106) 13.106 21.080 ( 0.000 0.000 20.904) 20.904 21.274 ( 0.000 0.000 5.835) 5.835 21.274 ( 0.000 0.000 5.835) 5.835 21.392 ( 0.000 0.000 0.344) 0.344 21.628 ( 0.000 0.000 -12.489) 12.489 21.628 ( 0.000 0.000 -12.489) 12.489 22.306 ( 0.000 0.000 5.237) 5.237 22.306 ( 0.000 0.000 5.237) 5.237 22.313 ( 0.000 0.000 7.532) 7.532 22.325 ( 0.000 0.000 7.794) 7.794 22.427 ( 0.000 0.000 -0.151) 0.151 22.427 ( 0.000 0.000 -0.151) 0.151 22.596 ( 0.000 0.000 0.481) 0.481 22.618 ( 0.000 0.000 -8.544) 8.544 22.735 ( 0.000 0.000 -9.735) 9.735 22.882 ( 0.000 0.000 -10.395) 10.395 23.085 ( 0.000 0.000 -1.578) 1.578 23.085 ( 0.000 0.000 -1.578) 1.578 23.125 ( 0.000 0.000 -7.118) 7.118 23.125 ( 0.000 0.000 -7.118) 7.118 23.427 ( 0.000 0.000 1.430) 1.430 23.439 ( 0.000 0.000 0.746) 0.746 23.569 ( 0.000 0.000 4.605) 4.605 23.569 ( 0.000 0.000 4.605) 4.605 23.816 ( 0.000 0.000 2.313) 2.313 23.847 ( 0.000 0.000 0.252) 0.252 24.028 ( 0.000 0.000 2.943) 2.943 24.028 ( 0.000 0.000 2.943) 2.943 24.048 ( 0.000 0.000 6.381) 6.381 24.194 ( 0.000 0.000 -0.376) 0.376 24.446 ( 0.000 0.000 -4.912) 4.912 24.446 ( 0.000 0.000 -4.912) 4.912 24.529 ( 0.000 0.000 4.355) 4.355 24.673 ( 0.000 0.000 -2.276) 2.276 24.811 ( 0.000 0.000 0.241) 0.241 25.143 ( 0.000 0.000 -11.638) 11.638 25.258 ( 0.000 0.000 1.599) 1.599 25.374 ( 0.000 0.000 -2.239) 2.239 25.606 ( 0.000 0.000 6.591) 6.591 25.606 ( 0.000 0.000 6.591) 6.591 25.828 ( 0.000 0.000 8.896) 8.896 26.017 ( 0.000 0.000 -4.538) 4.538 26.017 ( 0.000 0.000 -4.538) 4.538 26.121 ( 0.000 0.000 -5.806) 5.806 26.456 ( 0.000 0.000 3.832) 3.832 26.515 ( 0.000 0.000 0.217) 0.217 26.515 ( 0.000 0.000 0.217) 0.217 26.593 ( 0.000 0.000 -2.640) 2.640 27.084 ( 0.000 0.000 3.044) 3.044 27.084 ( 0.000 0.000 3.044) 3.044 27.195 ( 0.000 0.000 10.973) 10.973 27.341 ( 0.000 0.000 -2.250) 2.250 27.341 ( 0.000 0.000 -2.250) 2.250 27.349 ( 0.000 0.000 0.207) 0.207 27.374 ( 0.000 0.000 -0.928) 0.928 27.536 ( 0.000 0.000 -5.360) 5.360 28.120 ( 0.000 0.000 2.032) 2.032 28.201 ( 0.000 0.000 -1.002) 1.002 28.545 ( 0.000 0.000 0.338) 0.338 28.545 ( 0.000 0.000 0.338) 0.338 28.765 ( 0.000 0.000 1.469) 1.469 28.765 ( 0.000 0.000 1.469) 1.469 29.199 ( 0.000 0.000 7.513) 7.513 29.255 ( 0.000 0.000 4.940) 4.940 29.871 ( 0.000 0.000 5.991) 5.991 29.871 ( 0.000 0.000 5.991) 5.991 29.872 ( 0.000 0.000 3.759) 3.759 29.923 ( 0.000 0.000 0.342) 0.342 30.150 ( 0.000 0.000 -5.966) 5.966 30.150 ( 0.000 0.000 -5.966) 5.966 30.163 ( 0.000 0.000 -2.128) 2.128 30.322 ( 0.000 0.000 -10.019) 10.019 30.487 ( 0.000 0.000 -1.903) 1.903 30.519 ( 0.000 0.000 -1.589) 1.589 30.519 ( 0.000 0.000 -1.589) 1.589 30.540 ( 0.000 0.000 -4.086) 4.086 30.567 ( 0.000 0.000 -0.705) 0.705 30.567 ( 0.000 0.000 -0.705) 0.705 33.679 ( 0.000 0.000 2.551) 2.551 33.679 ( 0.000 0.000 2.551) 2.551 33.693 ( 0.000 0.000 4.363) 4.363 33.746 ( 0.000 0.000 1.581) 1.581 ======================= Grid point 197 (42/60) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.554 ( 3.910 0.000 -2.080) 4.429 3.572 ( 5.313 0.000 -3.306) 6.257 5.486 ( -0.063 0.000 4.174) 4.175 5.525 ( 0.663 0.000 3.937) 3.992 6.331 ( -11.521 0.000 27.720) 30.019 6.514 ( -6.242 0.000 7.908) 10.075 6.839 ( 19.832 0.000 53.731) 57.274 7.155 ( 30.914 0.000 33.857) 45.847 8.622 ( 8.910 0.000 -29.388) 30.709 8.656 ( 11.680 0.000 -27.358) 29.747 9.411 ( -27.356 0.000 23.643) 36.157 9.568 ( -14.735 0.000 20.581) 25.312 9.891 ( -0.982 0.000 2.360) 2.556 9.994 ( -3.970 0.000 54.527) 54.672 10.361 ( 0.627 0.000 18.421) 18.432 10.747 ( -10.737 0.000 4.504) 11.644 10.833 ( 0.180 0.000 13.353) 13.354 10.999 ( -7.878 0.000 -4.626) 9.136 11.090 ( 5.059 0.000 -0.220) 5.064 11.208 ( 4.042 0.000 -1.343) 4.259 11.315 ( 7.854 0.000 -8.192) 11.349 11.461 ( 6.509 0.000 12.694) 14.265 11.743 ( -4.204 0.000 -7.836) 8.893 11.985 ( 2.753 0.000 -1.641) 3.205 12.122 ( 10.140 0.000 -5.648) 11.607 12.287 ( 0.596 0.000 -20.997) 21.006 12.342 ( 12.998 0.000 3.404) 13.436 12.896 ( 0.684 0.000 -11.063) 11.084 12.908 ( -5.935 0.000 -12.271) 13.631 13.054 ( -0.156 0.000 -20.196) 20.196 13.195 ( 0.791 0.000 -0.562) 0.970 13.328 ( 6.507 0.000 0.507) 6.527 13.549 ( 3.077 0.000 1.481) 3.415 13.742 ( 0.806 0.000 -3.204) 3.304 14.065 ( -0.288 0.000 -4.101) 4.111 14.123 ( 3.036 0.000 -7.137) 7.756 14.597 ( -2.062 0.000 -5.922) 6.270 14.701 ( 0.169 0.000 -8.244) 8.246 15.443 ( -2.078 0.000 -1.639) 2.647 15.542 ( 5.832 0.000 -7.150) 9.226 15.813 ( 7.518 0.000 1.519) 7.670 15.972 ( -2.667 0.000 -2.197) 3.455 16.324 ( -15.380 0.000 -2.539) 15.588 16.456 ( -4.142 0.000 -12.979) 13.624 16.823 ( 1.633 0.000 -1.076) 1.956 17.000 ( -7.521 0.000 -20.222) 21.575 17.165 ( -11.240 0.000 6.027) 12.754 17.203 ( -2.106 0.000 -0.588) 2.187 17.264 ( -5.145 0.000 4.857) 7.076 17.332 ( -2.411 0.000 3.476) 4.230 17.477 ( 3.862 0.000 3.000) 4.891 17.603 ( -9.217 0.000 0.451) 9.228 17.672 ( -10.441 0.000 0.020) 10.441 17.714 ( -9.391 0.000 -1.852) 9.572 17.897 ( -6.299 0.000 2.724) 6.862 17.929 ( 0.634 0.000 1.043) 1.220 18.079 ( 1.037 0.000 3.152) 3.318 18.143 ( -3.213 0.000 -0.819) 3.316 18.280 ( -1.597 0.000 -3.157) 3.538 18.345 ( 2.629 0.000 -8.569) 8.963 18.379 ( 10.096 0.000 9.789) 14.062 18.559 ( -6.982 0.000 9.620) 11.887 18.723 ( -5.194 0.000 9.431) 10.766 18.905 ( -0.644 0.000 5.820) 5.856 18.948 ( -2.011 0.000 7.976) 8.226 19.145 ( -4.808 0.000 -4.974) 6.918 19.189 ( -0.381 0.000 1.767) 1.808 19.270 ( -0.106 0.000 -2.194) 2.197 19.363 ( 4.025 0.000 -0.602) 4.070 19.404 ( 2.916 0.000 11.427) 11.793 19.448 ( -3.025 0.000 -13.576) 13.909 19.530 ( 2.337 0.000 -1.362) 2.705 19.662 ( -0.130 0.000 -3.258) 3.261 19.836 ( -0.416 0.000 4.030) 4.052 19.862 ( 8.403 0.000 -8.952) 12.278 20.225 ( -4.624 0.000 -6.091) 7.647 20.397 ( 2.725 0.000 -3.931) 4.784 20.413 ( 4.952 0.000 -2.314) 5.466 20.862 ( 22.793 0.000 6.585) 23.725 20.944 ( -2.410 0.000 -5.524) 6.027 21.097 ( 3.663 0.000 16.966) 17.357 21.125 ( -6.820 0.000 6.010) 9.091 21.287 ( 1.150 0.000 4.560) 4.703 21.614 ( 9.642 0.000 -4.193) 10.514 21.623 ( 0.687 0.000 -9.474) 9.499 21.747 ( 13.444 0.000 -10.155) 16.848 22.092 ( -12.979 0.000 6.895) 14.696 22.214 ( -6.393 0.000 1.845) 6.654 22.314 ( -3.137 0.000 4.651) 5.610 22.384 ( 0.049 0.000 1.390) 1.390 22.401 ( -0.645 0.000 1.138) 1.308 22.480 ( 3.493 0.000 2.666) 4.394 22.652 ( 4.880 0.000 -3.308) 5.895 22.678 ( 4.332 0.000 -5.776) 7.220 22.715 ( -0.943 0.000 -6.016) 6.089 22.858 ( -1.863 0.000 -8.787) 8.982 23.075 ( -0.887 0.000 -1.756) 1.968 23.079 ( -1.547 0.000 -2.046) 2.565 23.139 ( 2.003 0.000 -4.967) 5.356 23.160 ( 3.275 0.000 -6.534) 7.309 23.381 ( -4.148 0.000 2.619) 4.906 23.415 ( -1.606 0.000 1.155) 1.978 23.574 ( 0.241 0.000 4.635) 4.641 23.642 ( 5.075 0.000 2.334) 5.586 23.784 ( -3.074 0.000 1.703) 3.514 23.806 ( -3.155 0.000 0.456) 3.187 24.013 ( -0.184 0.000 4.733) 4.737 24.038 ( 1.062 0.000 3.126) 3.301 24.100 ( 3.188 0.000 3.452) 4.699 24.180 ( -1.541 0.000 -0.638) 1.668 24.384 ( -4.144 0.000 -4.355) 6.011 24.414 ( -2.680 0.000 -5.002) 5.675 24.597 ( 5.219 0.000 3.493) 6.280 24.720 ( 3.554 0.000 -2.647) 4.432 24.862 ( 5.315 0.000 3.042) 6.123 25.168 ( 0.686 0.000 -5.334) 5.378 25.324 ( 7.802 0.000 -2.662) 8.243 25.395 ( 2.675 0.000 -1.128) 2.903 25.574 ( -3.239 0.000 6.555) 7.311 25.614 ( 0.627 0.000 5.299) 5.336 25.790 ( -1.294 0.000 5.116) 5.277 25.937 ( -5.795 0.000 -5.390) 7.914 26.117 ( 7.861 0.000 -2.162) 8.152 26.187 ( 4.264 0.000 -3.518) 5.528 26.412 ( -3.659 0.000 3.683) 5.191 26.499 ( -1.597 0.000 -0.100) 1.600 26.544 ( 1.910 0.000 -0.135) 1.915 26.581 ( -1.235 0.000 -2.083) 2.422 26.991 ( -6.446 0.000 4.664) 7.957 27.052 ( -3.204 0.000 1.855) 3.702 27.151 ( -6.561 0.000 2.984) 7.208 27.201 ( -8.254 0.000 -2.182) 8.538 27.355 ( 4.065 0.000 2.156) 4.601 27.419 ( 1.512 0.000 -0.454) 1.578 27.458 ( 5.553 0.000 0.252) 5.559 27.596 ( 5.559 0.000 -4.292) 7.023 28.055 ( -5.661 0.000 2.290) 6.107 28.136 ( -5.705 0.000 -0.975) 5.787 28.579 ( 1.958 0.000 1.246) 2.321 28.592 ( 3.275 0.000 0.370) 3.296 28.733 ( -2.189 0.000 2.580) 3.383 28.763 ( 0.382 0.000 0.828) 0.912 29.219 ( 1.969 0.000 6.687) 6.971 29.279 ( 1.997 0.000 3.696) 4.201 29.808 ( -3.187 0.000 6.017) 6.809 29.821 ( -3.372 0.000 4.835) 5.895 29.934 ( 3.094 0.000 3.511) 4.680 29.970 ( 2.939 0.000 1.728) 3.409 30.144 ( -0.346 0.000 -4.960) 4.972 30.155 ( 0.437 0.000 -5.369) 5.387 30.166 ( 0.249 0.000 -3.696) 3.705 30.290 ( -2.960 0.000 -9.568) 10.016 30.478 ( -0.305 0.000 -1.621) 1.649 30.507 ( -0.491 0.000 -1.897) 1.960 30.536 ( 0.511 0.000 -0.484) 0.704 30.549 ( -0.488 0.000 -1.737) 1.804 30.575 ( 1.499 0.000 -2.496) 2.911 30.579 ( 1.439 0.000 -2.421) 2.816 33.677 ( -0.149 0.000 3.013) 3.017 33.678 ( -0.086 0.000 2.659) 2.661 33.698 ( 0.443 0.000 3.718) 3.745 33.743 ( -0.362 0.000 1.662) 1.701 ======================= Grid point 198 (43/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 4.146 0.000 -2.955) 5.091 3.664 ( 3.552 0.000 -4.806) 5.976 5.492 ( 0.767 0.000 6.709) 6.752 5.529 ( -0.448 0.000 6.354) 6.370 6.217 ( -1.117 0.000 16.300) 16.338 6.382 ( -7.329 0.000 4.695) 8.703 7.337 ( 32.119 0.000 48.703) 58.341 7.765 ( 31.891 0.000 34.664) 47.102 8.791 ( -8.357 0.000 4.017) 9.272 8.891 ( 9.993 0.000 -14.652) 17.735 8.920 ( -7.511 0.000 4.379) 8.694 9.213 ( -22.599 0.000 26.892) 35.127 9.774 ( -9.562 0.000 -7.383) 12.080 9.803 ( -14.068 0.000 23.462) 27.356 10.300 ( -1.001 0.000 12.951) 12.990 10.514 ( -12.568 0.000 0.328) 12.573 10.905 ( -1.362 0.000 -3.394) 3.657 10.962 ( 3.350 0.000 -3.963) 5.189 11.140 ( 9.489 0.000 16.749) 19.250 11.312 ( 6.321 0.000 -10.765) 12.483 11.405 ( 2.517 0.000 -3.013) 3.926 11.647 ( -6.735 0.000 16.275) 17.614 11.887 ( 30.113 0.000 21.866) 37.214 12.072 ( 6.549 0.000 -5.331) 8.444 12.239 ( 1.904 0.000 -16.883) 16.990 12.263 ( -2.116 0.000 -13.746) 13.908 12.554 ( 6.137 0.000 -0.516) 6.158 12.778 ( -3.916 0.000 -13.524) 14.080 12.888 ( -4.749 0.000 -13.703) 14.502 13.014 ( -6.039 0.000 -8.914) 10.767 13.199 ( 0.677 0.000 7.640) 7.670 13.319 ( -3.306 0.000 0.926) 3.433 13.698 ( 11.163 0.000 0.898) 11.199 13.840 ( 5.162 0.000 -0.785) 5.222 14.072 ( 1.241 0.000 -4.498) 4.666 14.149 ( -0.476 0.000 -7.924) 7.939 14.601 ( 2.629 0.000 -1.572) 3.063 14.692 ( -1.317 0.000 -6.074) 6.215 15.396 ( -2.343 0.000 2.030) 3.100 15.510 ( -9.980 0.000 -1.199) 10.052 15.952 ( 5.843 0.000 -3.835) 6.989 15.965 ( 4.891 0.000 -3.943) 6.283 16.136 ( -3.279 0.000 -2.374) 4.048 16.345 ( -7.677 0.000 -10.548) 13.046 16.709 ( -14.759 0.000 -2.905) 15.042 16.775 ( -14.951 0.000 -15.234) 21.345 17.041 ( 4.533 0.000 -0.026) 4.533 17.145 ( -1.587 0.000 -0.200) 1.599 17.222 ( -0.073 0.000 1.583) 1.585 17.266 ( -3.890 0.000 0.066) 3.891 17.480 ( -2.759 0.000 -1.215) 3.014 17.502 ( -4.585 0.000 5.159) 6.902 17.595 ( -4.686 0.000 -4.582) 6.554 17.597 ( 1.328 0.000 -10.919) 10.999 17.764 ( -4.844 0.000 4.740) 6.777 17.910 ( -4.310 0.000 -0.324) 4.322 18.032 ( -2.193 0.000 1.056) 2.434 18.090 ( -2.356 0.000 -1.501) 2.793 18.297 ( 3.719 0.000 -1.922) 4.187 18.406 ( 2.348 0.000 -7.212) 7.585 18.498 ( 2.996 0.000 4.343) 5.276 18.518 ( 0.490 0.000 10.128) 10.139 18.619 ( -3.174 0.000 8.041) 8.644 18.810 ( -8.980 0.000 0.057) 8.980 18.909 ( 0.731 0.000 5.221) 5.271 19.091 ( -5.975 0.000 0.453) 5.993 19.186 ( 0.668 0.000 2.525) 2.612 19.216 ( -1.630 0.000 -1.183) 2.014 19.312 ( -4.857 0.000 7.295) 8.764 19.347 ( -6.128 0.000 -9.071) 10.947 19.531 ( 7.645 0.000 -1.035) 7.714 19.622 ( 4.649 0.000 0.872) 4.730 19.711 ( 3.870 0.000 1.229) 4.060 19.884 ( -4.958 0.000 -3.437) 6.033 19.906 ( 5.914 0.000 5.162) 7.850 20.083 ( -5.818 0.000 2.722) 6.424 20.546 ( 8.361 0.000 -1.679) 8.528 20.647 ( 16.021 0.000 -5.106) 16.815 20.878 ( -3.113 0.000 -3.526) 4.703 21.045 ( 1.706 0.000 9.934) 10.080 21.077 ( 1.308 0.000 1.923) 2.326 21.219 ( -1.820 0.000 -0.448) 1.875 21.350 ( 7.228 0.000 -8.516) 11.170 21.640 ( -6.604 0.000 -9.585) 11.640 21.769 ( 15.328 0.000 6.285) 16.566 21.869 ( -3.861 0.000 6.330) 7.415 22.039 ( 9.176 0.000 -3.970) 9.998 22.074 ( -6.702 0.000 -2.402) 7.119 22.271 ( -0.176 0.000 2.755) 2.760 22.370 ( -1.612 0.000 -0.272) 1.635 22.404 ( 0.945 0.000 2.232) 2.423 22.544 ( 4.154 0.000 1.627) 4.461 22.647 ( -4.624 0.000 -0.814) 4.695 22.715 ( -1.217 0.000 -3.170) 3.396 22.795 ( 6.804 0.000 -7.151) 9.870 22.849 ( 1.372 0.000 -5.894) 6.052 23.050 ( -0.795 0.000 -0.421) 0.899 23.063 ( -0.223 0.000 -2.049) 2.061 23.158 ( -0.705 0.000 -1.390) 1.559 23.207 ( -0.047 0.000 -4.088) 4.089 23.325 ( -0.483 0.000 1.958) 2.017 23.381 ( -1.117 0.000 -0.811) 1.380 23.554 ( -2.222 0.000 2.523) 3.362 23.652 ( -5.145 0.000 -1.404) 5.333 23.770 ( 2.557 0.000 2.933) 3.891 23.780 ( 0.793 0.000 1.526) 1.720 24.019 ( 0.775 0.000 3.350) 3.439 24.061 ( 0.961 0.000 3.116) 3.261 24.139 ( -2.359 0.000 -1.363) 2.725 24.139 ( 0.719 0.000 2.095) 2.215 24.329 ( -1.316 0.000 -4.062) 4.270 24.366 ( -2.248 0.000 -3.955) 4.549 24.697 ( 4.981 0.000 2.431) 5.542 24.770 ( 1.441 0.000 -1.766) 2.279 24.980 ( 6.404 0.000 5.827) 8.658 25.153 ( -2.133 0.000 1.877) 2.842 25.479 ( 5.216 0.000 2.283) 5.693 25.482 ( 4.798 0.000 -1.015) 4.904 25.530 ( 1.721 0.000 1.949) 2.600 25.617 ( -0.562 0.000 0.394) 0.686 25.810 ( 2.876 0.000 2.473) 3.793 25.845 ( -3.001 0.000 -2.634) 3.993 26.241 ( 1.236 0.000 -0.673) 1.407 26.250 ( 4.928 0.000 -1.840) 5.260 26.337 ( -3.081 0.000 2.937) 4.256 26.457 ( -3.056 0.000 -1.664) 3.480 26.555 ( -1.101 0.000 -0.976) 1.471 26.563 ( -0.072 0.000 -0.735) 0.738 26.902 ( -2.329 0.000 3.537) 4.235 26.977 ( -4.340 0.000 0.210) 4.345 27.026 ( -5.352 0.000 0.305) 5.361 27.058 ( -6.446 0.000 -2.121) 6.786 27.413 ( 1.644 0.000 0.417) 1.696 27.429 ( 0.020 0.000 -0.400) 0.401 27.575 ( 6.641 0.000 2.361) 7.048 27.691 ( 3.311 0.000 -3.006) 4.472 27.956 ( -3.858 0.000 3.053) 4.920 28.026 ( -5.498 0.000 -0.375) 5.510 28.582 ( -1.171 0.000 2.364) 2.638 28.595 ( -2.298 0.000 1.871) 2.964 28.747 ( 3.166 0.000 2.295) 3.910 28.787 ( 1.566 0.000 0.454) 1.631 29.263 ( 2.405 0.000 4.511) 5.112 29.308 ( 0.711 0.000 2.019) 2.140 29.760 ( -1.780 0.000 7.004) 7.226 29.768 ( -2.146 0.000 5.731) 6.120 29.986 ( 2.496 0.000 2.015) 3.207 30.013 ( 1.494 0.000 1.444) 2.078 30.136 ( -0.532 0.000 -4.875) 4.904 30.156 ( -0.624 0.000 -4.463) 4.507 30.178 ( 1.120 0.000 -4.899) 5.025 30.234 ( -2.448 0.000 -8.497) 8.843 30.479 ( 0.330 0.000 -1.030) 1.082 30.503 ( -0.285 0.000 -0.932) 0.974 30.532 ( -0.829 0.000 -1.690) 1.882 30.534 ( -0.338 0.000 -0.628) 0.714 30.606 ( 1.363 0.000 -3.017) 3.310 30.608 ( 1.300 0.000 -3.231) 3.483 33.675 ( -0.072 0.000 3.305) 3.305 33.676 ( -0.108 0.000 2.929) 2.931 33.708 ( 0.638 0.000 2.923) 2.992 33.733 ( -0.611 0.000 1.907) 2.003 ======================= Grid point 199 (44/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( -0.485 0.000 -4.174) 4.202 3.688 ( 0.485 0.000 -4.174) 4.202 5.512 ( -0.191 0.000 7.693) 7.696 5.512 ( 0.191 0.000 7.693) 7.696 6.261 ( -3.422 0.000 7.560) 8.298 6.261 ( 3.422 0.000 7.560) 8.298 7.938 ( -17.176 0.000 39.988) 43.520 7.938 ( 17.176 0.000 39.988) 43.520 8.659 ( -15.774 0.000 29.850) 33.761 8.659 ( 15.774 0.000 29.850) 33.761 9.064 ( -0.461 0.000 -8.714) 8.726 9.064 ( 0.461 0.000 -8.714) 8.726 9.640 ( -0.003 0.000 -3.612) 3.612 9.640 ( 0.003 0.000 -3.612) 3.612 10.343 ( -1.664 0.000 4.548) 4.842 10.343 ( 1.664 0.000 4.548) 4.842 10.925 ( -2.587 0.000 -3.894) 4.675 10.925 ( 2.587 0.000 -3.894) 4.675 11.386 ( -0.501 0.000 -14.698) 14.706 11.386 ( 0.501 0.000 -14.698) 14.706 11.459 ( -4.235 0.000 27.870) 28.190 11.459 ( 4.235 0.000 27.870) 28.190 12.186 ( -2.239 0.000 -3.301) 3.989 12.186 ( 2.239 0.000 -3.301) 3.989 12.252 ( -0.016 0.000 -7.761) 7.761 12.252 ( 0.016 0.000 -7.761) 7.761 12.675 ( -10.011 0.000 1.447) 10.115 12.675 ( 10.011 0.000 1.447) 10.115 12.858 ( -3.320 0.000 -10.978) 11.469 12.858 ( 3.320 0.000 -10.978) 11.469 13.247 ( -1.683 0.000 4.023) 4.361 13.247 ( 1.683 0.000 4.023) 4.361 13.858 ( -3.350 0.000 -1.265) 3.580 13.858 ( 3.350 0.000 -1.265) 3.580 14.111 ( -0.222 0.000 -3.477) 3.484 14.111 ( 0.222 0.000 -3.477) 3.484 14.658 ( -0.516 0.000 -2.115) 2.177 14.658 ( 0.516 0.000 -2.115) 2.177 15.379 ( -0.432 0.000 1.060) 1.144 15.379 ( 0.432 0.000 1.060) 1.144 16.021 ( -1.496 0.000 -4.778) 5.006 16.021 ( 1.496 0.000 -4.778) 5.006 16.187 ( -4.571 0.000 -7.490) 8.774 16.187 ( 4.571 0.000 -7.490) 8.774 16.573 ( -0.948 0.000 -10.892) 10.933 16.573 ( 0.948 0.000 -10.892) 10.933 17.135 ( -1.690 0.000 -4.770) 5.061 17.135 ( 1.690 0.000 -4.770) 5.061 17.233 ( -0.396 0.000 3.086) 3.111 17.233 ( 0.396 0.000 3.086) 3.111 17.429 ( -0.232 0.000 2.823) 2.833 17.429 ( 0.232 0.000 2.823) 2.833 17.574 ( -0.885 0.000 -6.222) 6.285 17.574 ( 0.885 0.000 -6.222) 6.285 17.796 ( -5.768 0.000 -1.538) 5.969 17.796 ( 5.768 0.000 -1.538) 5.969 18.044 ( -0.281 0.000 1.254) 1.285 18.044 ( 0.281 0.000 1.254) 1.285 18.382 ( -1.111 0.000 -3.104) 3.297 18.382 ( 1.111 0.000 -3.104) 3.297 18.531 ( -0.000 0.000 6.198) 6.198 18.531 ( 0.000 0.000 6.198) 6.198 18.650 ( -2.193 0.000 0.855) 2.354 18.650 ( 2.193 0.000 0.855) 2.354 18.964 ( -1.455 0.000 3.686) 3.963 18.964 ( 1.455 0.000 3.686) 3.963 19.204 ( -0.025 0.000 -2.434) 2.434 19.204 ( 0.025 0.000 -2.434) 2.434 19.271 ( -0.485 0.000 2.630) 2.675 19.271 ( 0.485 0.000 2.630) 2.675 19.649 ( -1.867 0.000 -0.517) 1.937 19.649 ( 1.867 0.000 -0.517) 1.937 19.773 ( -1.753 0.000 -4.903) 5.207 19.773 ( 1.753 0.000 -4.903) 5.207 20.002 ( -0.421 0.000 12.076) 12.083 20.002 ( 0.421 0.000 12.076) 12.083 20.700 ( -6.177 0.000 0.708) 6.218 20.700 ( 6.177 0.000 0.708) 6.218 20.988 ( -8.408 0.000 -0.859) 8.452 20.988 ( 8.408 0.000 -0.859) 8.452 21.137 ( -0.732 0.000 -1.778) 1.923 21.137 ( 0.732 0.000 -1.778) 1.923 21.474 ( -5.500 0.000 -11.756) 12.979 21.474 ( 5.500 0.000 -11.756) 12.979 21.864 ( -0.995 0.000 2.169) 2.387 21.864 ( 0.995 0.000 2.169) 2.387 22.109 ( -1.276 0.000 -0.140) 1.283 22.109 ( 1.276 0.000 -0.140) 1.283 22.321 ( -3.029 0.000 1.528) 3.393 22.321 ( 3.029 0.000 1.528) 3.393 22.476 ( -8.512 0.000 4.139) 9.465 22.476 ( 8.512 0.000 4.139) 9.465 22.654 ( -3.420 0.000 -0.211) 3.426 22.654 ( 3.420 0.000 -0.211) 3.426 22.871 ( -0.048 0.000 -6.093) 6.093 22.871 ( 0.048 0.000 -6.093) 6.093 23.060 ( -0.325 0.000 -1.665) 1.697 23.060 ( 0.325 0.000 -1.665) 1.697 23.157 ( -1.324 0.000 -0.808) 1.551 23.157 ( 1.324 0.000 -0.808) 1.551 23.360 ( -0.733 0.000 -1.195) 1.402 23.360 ( 0.733 0.000 -1.195) 1.402 23.552 ( -0.781 0.000 -0.941) 1.223 23.552 ( 0.781 0.000 -0.941) 1.223 23.799 ( -0.018 0.000 2.570) 2.570 23.799 ( 0.018 0.000 2.570) 2.570 24.046 ( -1.188 0.000 1.853) 2.201 24.046 ( 1.188 0.000 1.853) 2.201 24.130 ( -0.156 0.000 0.408) 0.437 24.130 ( 0.156 0.000 0.408) 0.437 24.332 ( -0.354 0.000 -3.132) 3.152 24.332 ( 0.354 0.000 -3.132) 3.152 24.765 ( -0.360 0.000 0.260) 0.444 24.765 ( 0.360 0.000 0.260) 0.444 25.086 ( -2.571 0.000 5.722) 6.273 25.086 ( 2.571 0.000 5.722) 6.273 25.513 ( -0.577 0.000 3.561) 3.607 25.513 ( 0.577 0.000 3.561) 3.607 25.598 ( -0.714 0.000 -2.826) 2.914 25.598 ( 0.714 0.000 -2.826) 2.914 25.841 ( -0.033 0.000 0.957) 0.958 25.841 ( 0.033 0.000 0.957) 0.958 26.249 ( -0.492 0.000 1.532) 1.609 26.249 ( 0.492 0.000 1.532) 1.609 26.382 ( -3.057 0.000 -2.669) 4.058 26.382 ( 3.057 0.000 -2.669) 4.058 26.551 ( -0.203 0.000 -0.453) 0.497 26.551 ( 0.203 0.000 -0.453) 0.497 26.909 ( -0.574 0.000 0.825) 1.005 26.909 ( 0.574 0.000 0.825) 1.005 26.983 ( -0.085 0.000 -0.955) 0.959 26.983 ( 0.085 0.000 -0.955) 0.959 27.427 ( -0.003 0.000 -0.284) 0.284 27.427 ( 0.003 0.000 -0.284) 0.284 27.682 ( -1.059 0.000 0.216) 1.081 27.682 ( 1.059 0.000 0.216) 1.081 27.946 ( -0.669 0.000 1.504) 1.646 27.946 ( 0.669 0.000 1.504) 1.646 28.567 ( -0.028 0.000 2.516) 2.516 28.567 ( 0.028 0.000 2.516) 2.516 28.794 ( -0.270 0.000 1.358) 1.385 28.794 ( 0.270 0.000 1.358) 1.385 29.300 ( -0.559 0.000 2.279) 2.347 29.300 ( 0.559 0.000 2.279) 2.347 29.745 ( -0.006 0.000 6.941) 6.941 29.745 ( 0.006 0.000 6.941) 6.941 30.020 ( -0.252 0.000 1.351) 1.374 30.020 ( 0.252 0.000 1.351) 1.374 30.136 ( -0.123 0.000 -5.208) 5.209 30.136 ( 0.123 0.000 -5.208) 5.209 30.202 ( -0.268 0.000 -6.068) 6.074 30.202 ( 0.268 0.000 -6.068) 6.074 30.490 ( -0.647 0.000 -0.469) 0.799 30.490 ( 0.647 0.000 -0.469) 0.799 30.528 ( -0.012 0.000 -1.591) 1.591 30.528 ( 0.012 0.000 -1.591) 1.591 30.620 ( -0.023 0.000 -3.146) 3.146 30.620 ( 0.023 0.000 -3.146) 3.146 33.674 ( -0.003 0.000 3.211) 3.211 33.674 ( 0.003 0.000 3.211) 3.211 33.721 ( -0.543 0.000 2.324) 2.387 33.721 ( 0.543 0.000 2.324) 2.387 ======================= Grid point 204 (45/60) ======================= q-point: ( 0.17 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.586 ( 3.327 3.327 -4.493) 6.506 3.621 ( 4.313 4.313 -2.305) 6.521 5.473 ( -0.526 -0.526 6.052) 6.097 5.561 ( 2.801 2.801 3.252) 5.125 6.238 ( -6.233 -6.233 23.857) 25.434 6.495 ( -4.794 -4.794 4.824) 8.321 6.946 ( 15.288 15.288 52.178) 56.481 7.443 ( 25.539 25.539 36.126) 51.084 8.592 ( 1.359 1.359 -24.930) 25.004 8.842 ( 13.682 13.682 -23.734) 30.622 9.269 ( -15.324 -15.324 22.685) 31.373 9.451 ( -10.326 -10.326 25.767) 29.617 9.864 ( -1.550 -1.550 8.641) 8.915 9.951 ( -7.714 -7.714 37.212) 38.778 10.317 ( -4.948 -4.948 2.572) 7.455 10.749 ( -0.837 -0.837 16.599) 16.642 10.895 ( 1.603 1.603 14.690) 14.864 10.934 ( -1.814 -1.814 -11.406) 11.691 11.036 ( -6.068 -6.068 5.296) 10.085 11.198 ( -0.452 -0.452 -14.595) 14.609 11.397 ( 3.551 3.551 8.075) 9.509 11.412 ( 10.805 10.805 -0.414) 15.286 11.847 ( -3.092 -3.092 8.238) 9.326 11.939 ( 5.244 5.244 -6.751) 10.029 12.186 ( 4.124 4.124 -15.269) 16.345 12.352 ( 4.428 4.428 -7.744) 9.959 12.415 ( 7.414 7.414 1.313) 10.567 12.859 ( -0.183 -0.183 -12.943) 12.945 12.961 ( -2.274 -2.274 -10.202) 10.697 13.011 ( 1.161 1.161 -16.786) 16.866 13.278 ( 2.042 2.042 6.000) 6.658 13.354 ( 3.283 3.283 1.218) 4.800 13.564 ( 3.570 3.570 -4.458) 6.735 13.731 ( 0.907 0.907 -4.074) 4.271 13.971 ( -4.719 -4.719 -4.677) 8.150 14.262 ( 8.695 8.695 -6.135) 13.742 14.585 ( -0.383 -0.383 -5.144) 5.172 14.743 ( 3.095 3.095 -5.019) 6.659 15.373 ( -1.031 -1.031 -3.571) 3.857 15.731 ( 7.908 7.908 -6.221) 12.798 15.760 ( -1.657 -1.657 -0.417) 2.379 15.967 ( -1.533 -1.533 -0.910) 2.351 16.243 ( -6.419 -6.419 0.855) 9.119 16.492 ( 0.164 0.164 -10.435) 10.438 16.725 ( -6.250 -6.250 1.446) 8.956 16.910 ( -9.185 -9.185 -11.694) 17.478 17.031 ( -10.432 -10.432 -2.635) 14.986 17.194 ( -3.757 -3.757 2.213) 5.756 17.224 ( -3.096 -3.096 3.613) 5.677 17.384 ( -1.293 -1.293 -1.234) 2.207 17.396 ( -3.656 -3.656 1.338) 5.340 17.524 ( -5.129 -5.129 0.820) 7.300 17.603 ( -6.506 -6.506 3.300) 9.774 17.684 ( -4.321 -4.321 -6.761) 9.114 17.843 ( -3.772 -3.772 -1.033) 5.433 17.894 ( -4.560 -4.560 0.953) 6.519 17.993 ( -3.407 -3.407 -5.780) 7.525 18.164 ( -1.586 -1.586 0.959) 2.439 18.236 ( -3.049 -3.049 -0.630) 4.358 18.295 ( -2.643 -2.643 -2.142) 4.308 18.365 ( 0.092 0.092 -0.508) 0.524 18.561 ( -0.488 -0.488 12.869) 12.888 18.755 ( -0.770 -0.770 10.292) 10.349 18.822 ( -6.244 -6.244 8.051) 11.950 18.983 ( 0.662 0.662 9.903) 9.947 19.059 ( -8.662 -8.662 8.646) 14.994 19.131 ( -2.470 -2.470 -7.987) 8.718 19.240 ( -1.718 -1.718 0.863) 2.578 19.331 ( 0.164 0.164 -3.531) 3.539 19.440 ( 3.772 3.772 -2.865) 6.055 19.524 ( -2.907 -2.907 -3.756) 5.568 19.545 ( 2.237 2.237 -5.705) 6.524 19.658 ( 0.617 0.617 -0.681) 1.107 19.765 ( 4.514 4.514 -3.379) 7.223 20.084 ( 10.751 10.751 -4.334) 15.809 20.246 ( 5.931 5.931 -6.159) 10.407 20.396 ( 1.984 1.984 -12.322) 12.637 20.613 ( 3.728 3.728 4.109) 6.684 20.761 ( 4.412 4.412 -1.135) 6.342 21.014 ( -4.563 -4.563 3.983) 7.583 21.048 ( 5.649 5.649 15.271) 17.234 21.185 ( 8.677 8.677 12.171) 17.283 21.432 ( 7.145 7.145 3.192) 10.597 21.601 ( 3.143 3.143 -4.947) 6.651 21.751 ( 5.381 5.381 -8.401) 11.335 21.830 ( 11.382 11.382 -8.086) 18.014 21.963 ( -10.191 -10.191 4.755) 15.176 22.196 ( -2.951 -2.951 3.392) 5.378 22.291 ( -4.086 -4.086 -0.333) 5.788 22.348 ( 0.678 0.678 4.169) 4.278 22.438 ( 0.740 0.740 1.937) 2.201 22.490 ( 0.324 0.324 -0.096) 0.468 22.661 ( 0.192 0.192 -6.862) 6.867 22.702 ( -0.152 -0.152 -3.027) 3.035 22.704 ( 2.960 2.960 -5.608) 6.998 22.846 ( -1.119 -1.119 -7.021) 7.197 23.029 ( -1.509 -1.509 -1.588) 2.660 23.095 ( -1.587 -1.587 -4.579) 5.099 23.155 ( 2.233 2.233 -0.744) 3.244 23.207 ( 3.428 3.428 -5.522) 7.348 23.283 ( -5.217 -5.217 1.208) 7.476 23.463 ( -1.582 -1.582 3.256) 3.950 23.547 ( 0.104 0.104 0.063) 0.160 23.693 ( 2.282 2.282 3.738) 4.938 23.725 ( -1.138 -1.138 1.747) 2.376 23.842 ( 0.271 0.271 1.038) 1.107 23.987 ( -0.656 -0.656 4.441) 4.536 24.052 ( 0.218 0.218 3.539) 3.553 24.126 ( 2.502 2.502 2.360) 4.253 24.163 ( -1.730 -1.730 -0.814) 2.579 24.358 ( -3.040 -3.040 -3.923) 5.820 24.399 ( -0.598 -0.598 -4.547) 4.625 24.604 ( 1.448 1.448 0.788) 2.194 24.785 ( 4.716 4.716 -0.999) 6.744 24.887 ( 3.268 3.268 4.202) 6.246 25.181 ( 0.714 0.714 -1.820) 2.081 25.361 ( 3.388 3.388 -3.191) 5.756 25.429 ( 3.315 3.315 1.517) 4.928 25.556 ( -0.895 -0.895 4.822) 4.985 25.633 ( 1.231 1.231 4.071) 4.427 25.731 ( -2.151 -2.151 0.463) 3.077 26.026 ( 0.850 0.850 -0.061) 1.203 26.069 ( 2.383 2.383 -4.850) 5.906 26.242 ( 3.215 3.215 -1.580) 4.813 26.373 ( -3.305 -3.305 3.329) 5.739 26.487 ( -2.040 -2.040 0.140) 2.889 26.553 ( 1.083 1.083 -0.288) 1.558 26.582 ( 0.277 0.277 -2.172) 2.207 26.903 ( -6.252 -6.252 4.096) 9.744 27.008 ( -5.705 -5.705 0.967) 8.126 27.113 ( -2.245 -2.245 -0.664) 3.244 27.241 ( -3.839 -3.839 0.800) 5.488 27.299 ( -0.047 -0.047 0.755) 0.758 27.365 ( -1.351 -1.351 -1.557) 2.465 27.547 ( 6.174 6.174 1.764) 8.908 27.676 ( 6.433 6.433 -2.515) 9.439 27.969 ( -6.363 -6.363 1.197) 9.078 28.149 ( -1.182 -1.182 0.488) 1.741 28.533 ( -0.610 -0.610 0.886) 1.237 28.674 ( 3.111 3.111 1.666) 4.704 28.704 ( -2.209 -2.209 2.287) 3.872 28.741 ( -1.485 -1.485 1.245) 2.442 29.242 ( 2.524 2.524 5.495) 6.553 29.305 ( 2.264 2.264 3.323) 4.615 29.764 ( -3.065 -3.065 5.602) 7.083 29.809 ( -1.705 -1.705 5.183) 5.717 29.961 ( 2.421 2.421 3.410) 4.833 29.997 ( 2.130 2.130 1.438) 3.337 30.125 ( -1.315 -1.315 -5.693) 5.989 30.140 ( -1.215 -1.215 -3.688) 4.068 30.186 ( 1.221 1.221 -5.709) 5.964 30.283 ( -0.728 -0.728 -7.949) 8.015 30.454 ( -1.258 -1.258 -1.604) 2.396 30.506 ( -0.615 -0.615 -1.560) 1.786 30.530 ( -1.114 -1.114 -0.076) 1.578 30.561 ( 1.287 1.287 -1.948) 2.666 30.587 ( 1.080 1.080 -1.873) 2.417 30.594 ( 1.535 1.535 -3.598) 4.202 33.673 ( -0.163 -0.163 3.096) 3.105 33.683 ( 0.195 0.195 2.591) 2.606 33.699 ( 0.147 0.147 3.621) 3.626 33.740 ( -0.333 -0.333 1.750) 1.812 ======================= Grid point 205 (46/60) ======================= q-point: ( 0.33 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.657 ( 3.537 2.343 -6.024) 7.368 3.696 ( 3.012 2.767 -2.593) 4.843 5.473 ( 0.344 -0.373 7.561) 7.578 5.606 ( 1.670 6.314 5.105) 8.290 6.170 ( -0.484 -3.889 15.855) 16.332 6.372 ( -7.101 -2.057 4.912) 8.876 7.370 ( 27.887 6.099 44.395) 52.781 7.986 ( 30.052 20.355 36.497) 51.474 8.618 ( -4.332 -10.024 -3.586) 11.494 8.884 ( -16.718 -1.358 13.898) 21.783 9.088 ( 4.944 5.752 -5.212) 9.203 9.226 ( -12.404 0.578 26.221) 29.013 9.648 ( -13.522 -0.655 8.399) 15.932 9.917 ( 0.975 5.134 4.747) 7.060 10.272 ( -0.014 -3.899 -0.889) 3.999 10.629 ( -9.084 6.772 11.404) 16.076 10.799 ( -5.080 -9.560 -0.159) 10.827 10.873 ( -3.804 -8.810 -5.318) 10.972 11.143 ( 8.860 1.074 -0.942) 8.975 11.225 ( 2.996 -7.059 -12.399) 14.579 11.456 ( 4.176 11.351 4.527) 12.915 11.646 ( 2.062 -2.807 5.751) 6.723 11.886 ( 14.812 1.111 14.795) 20.965 12.093 ( 8.998 1.238 5.727) 10.738 12.245 ( 3.626 3.181 -20.844) 21.394 12.376 ( -0.582 5.471 0.075) 5.503 12.571 ( 6.143 -0.178 -5.967) 8.566 12.732 ( -9.599 -0.074 -16.077) 18.724 12.977 ( -0.218 1.287 -0.693) 1.478 13.005 ( -2.996 4.419 -6.694) 8.562 13.275 ( 0.230 7.258 6.190) 9.542 13.419 ( 3.030 7.672 4.311) 9.308 13.657 ( 5.919 -1.317 -4.673) 7.655 13.802 ( 3.212 -1.780 -1.725) 4.058 13.918 ( -0.511 -7.665 -6.160) 9.846 14.405 ( 6.099 16.443 -3.208) 17.828 14.591 ( 0.892 0.094 -2.680) 2.827 14.775 ( -0.175 6.065 -3.235) 6.876 15.393 ( 1.548 1.807 -1.024) 2.590 15.579 ( -11.225 3.658 1.937) 11.964 15.858 ( 1.615 -6.630 -3.332) 7.594 15.976 ( 4.046 -3.029 -4.601) 6.835 16.162 ( -3.158 4.002 -0.318) 5.108 16.382 ( -6.641 3.590 -8.933) 11.695 16.617 ( -13.795 -9.331 -0.817) 16.674 16.796 ( -8.016 -2.158 -12.658) 15.137 16.870 ( 4.838 -14.000 -4.732) 15.550 17.030 ( -3.576 -5.190 -0.297) 6.310 17.235 ( -4.406 -5.370 1.734) 7.160 17.273 ( -0.118 -3.102 3.019) 4.330 17.355 ( -7.019 -6.746 1.206) 9.810 17.462 ( -4.230 -5.881 2.808) 7.770 17.506 ( -1.168 -5.483 -5.689) 7.987 17.596 ( -4.074 -3.641 -10.087) 11.472 17.735 ( -3.510 -4.264 2.550) 6.083 17.840 ( -4.029 -5.419 -2.555) 7.219 17.933 ( -4.031 -1.639 -4.459) 6.230 18.114 ( -2.385 -2.857 0.253) 3.731 18.178 ( -2.172 -9.582 -2.050) 10.036 18.306 ( 3.942 -9.085 -2.234) 10.153 18.406 ( 3.798 -1.689 3.365) 5.348 18.535 ( -3.333 -0.801 5.147) 6.184 18.655 ( -7.340 -2.464 4.956) 9.193 18.748 ( -0.758 -7.716 11.749) 14.077 18.903 ( -6.442 -8.258 12.555) 16.350 18.963 ( -2.536 4.658 3.030) 6.108 19.083 ( -3.980 -5.552 -2.835) 7.396 19.239 ( 1.271 -4.529 -3.531) 5.882 19.291 ( -3.278 1.019 -5.518) 6.499 19.405 ( -2.997 4.520 -4.562) 7.086 19.535 ( 3.323 -5.683 -3.548) 7.479 19.657 ( 3.882 -2.343 -0.571) 4.570 19.705 ( 5.449 4.387 -4.369) 8.248 19.837 ( 1.493 12.969 -0.149) 13.056 20.131 ( -3.464 12.432 -4.968) 13.829 20.349 ( 6.461 10.127 -0.938) 12.049 20.542 ( 7.855 0.498 -6.306) 10.085 20.680 ( 3.924 -0.523 3.868) 5.535 20.842 ( 6.068 2.698 -1.090) 6.729 20.952 ( -1.465 3.959 2.409) 4.860 21.138 ( 2.872 6.098 10.220) 12.242 21.396 ( -0.989 8.328 3.431) 9.061 21.494 ( 8.258 11.634 0.197) 14.268 21.715 ( 0.107 5.776 -2.201) 6.182 21.787 ( 5.303 0.029 4.344) 6.855 21.851 ( 3.261 2.488 -2.028) 4.575 22.056 ( 3.169 3.622 -1.903) 5.176 22.128 ( 0.293 3.924 -2.916) 4.898 22.234 ( 0.433 -3.769 1.314) 4.014 22.367 ( 0.680 -0.980 2.105) 2.420 22.416 ( -0.967 2.118 0.103) 2.331 22.514 ( 1.337 -3.038 0.802) 3.414 22.641 ( -4.176 -0.371 -1.951) 4.624 22.680 ( -0.295 -4.541 -2.422) 5.155 22.792 ( 3.820 1.693 -7.802) 8.850 22.850 ( 2.223 -1.200 -4.815) 5.438 23.010 ( -0.123 -1.086 -1.444) 1.811 23.063 ( -1.507 -2.820 -1.512) 3.537 23.148 ( -3.054 -1.442 0.175) 3.382 23.220 ( -1.932 -1.234 -0.023) 2.293 23.270 ( 3.083 0.459 -3.530) 4.709 23.414 ( -1.546 -0.076 -1.344) 2.050 23.506 ( -4.785 -2.807 -2.601) 6.127 23.702 ( 0.469 2.564 3.239) 4.158 23.776 ( 3.034 2.233 3.792) 5.345 23.818 ( -1.383 2.630 1.195) 3.203 24.000 ( 1.399 -1.162 3.735) 4.155 24.054 ( 0.034 -1.198 3.922) 4.101 24.116 ( -2.637 -0.663 -0.831) 2.843 24.178 ( 2.227 2.093 0.093) 3.057 24.306 ( -1.930 -1.812 -2.578) 3.695 24.382 ( -1.246 0.931 -4.102) 4.387 24.647 ( 2.560 -2.368 -0.924) 3.608 24.846 ( 1.940 4.734 0.853) 5.187 24.979 ( 5.257 0.847 4.238) 6.806 25.180 ( -0.953 2.154 4.011) 4.652 25.429 ( 2.819 -2.313 1.599) 3.981 25.469 ( 2.173 -2.425 2.097) 3.873 25.548 ( -0.927 -0.235 2.973) 3.123 25.677 ( 2.530 4.736 -0.329) 5.379 25.747 ( 2.737 1.151 -2.982) 4.208 25.977 ( -0.533 7.400 0.803) 7.463 26.176 ( 4.103 -4.488 -2.172) 6.457 26.273 ( -0.619 -0.314 1.462) 1.619 26.322 ( -0.877 -0.779 0.426) 1.248 26.432 ( -3.305 -1.774 1.280) 3.963 26.563 ( 0.229 0.838 -0.733) 1.137 26.593 ( 0.276 2.515 -3.120) 4.017 26.809 ( -3.118 -6.758 3.221) 8.110 26.899 ( -5.063 -6.739 -0.817) 8.469 27.039 ( -4.331 2.180 -0.776) 4.910 27.132 ( -6.122 -0.830 -0.227) 6.182 27.267 ( -1.413 -3.117 -2.992) 4.545 27.429 ( 4.160 -6.307 0.544) 7.575 27.649 ( 4.581 8.951 2.313) 10.317 27.790 ( 3.526 6.170 -0.188) 7.109 27.871 ( -1.980 -4.814 0.894) 5.282 28.089 ( -4.280 3.461 1.251) 5.644 28.541 ( 0.662 -2.788 2.171) 3.595 28.613 ( -4.724 0.685 2.946) 5.610 28.710 ( 0.165 -3.376 0.747) 3.462 28.759 ( 2.025 -3.274 1.866) 4.278 29.299 ( 2.863 4.209 3.236) 6.032 29.348 ( 2.124 3.381 2.862) 4.912 29.703 ( -3.160 -2.813 5.817) 7.193 29.787 ( -0.480 -1.099 5.984) 6.103 29.997 ( 1.290 1.544 0.975) 2.236 30.028 ( 0.584 0.468 -0.254) 0.791 30.104 ( -0.457 -1.130 -3.392) 3.604 30.130 ( 0.239 -2.736 -5.072) 5.768 30.200 ( 0.054 1.905 -5.632) 5.946 30.267 ( -0.758 2.235 -5.424) 5.915 30.445 ( 0.271 -2.479 -1.354) 2.838 30.493 ( -0.869 -1.062 -0.845) 1.611 30.503 ( -1.443 -1.745 -0.995) 2.473 30.577 ( 0.476 2.416 -1.628) 2.952 30.613 ( 1.342 0.760 -2.621) 3.041 30.621 ( 1.100 1.085 -3.253) 3.602 33.671 ( -0.008 -0.090 3.162) 3.163 33.683 ( -0.111 0.486 2.927) 2.969 33.705 ( 0.508 -0.299 2.968) 3.026 33.731 ( -0.543 -0.251 2.008) 2.095 ======================= Grid point 206 (47/60) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( 0.000 1.729 -7.247) 7.451 3.723 ( 0.000 2.398 -1.840) 3.022 5.478 ( 0.000 -0.188 7.922) 7.925 5.620 ( 0.000 8.008 7.084) 10.691 6.193 ( 0.000 -4.199 8.619) 9.588 6.279 ( -0.000 -1.312 7.359) 7.475 7.787 ( 0.000 -2.012 35.906) 35.962 8.246 ( 0.000 15.458 40.376) 43.234 8.511 ( 0.000 -2.776 26.513) 26.658 8.789 ( 0.000 -7.832 3.345) 8.517 8.915 ( -0.000 6.742 20.052) 21.154 9.207 ( 0.000 0.517 8.645) 8.660 9.515 ( 0.000 6.692 -5.468) 8.642 9.959 ( 0.000 15.455 -9.711) 18.253 10.240 ( 0.000 -3.155 -1.972) 3.721 10.555 ( 0.000 12.697 6.494) 14.261 10.764 ( -0.000 -15.695 6.972) 17.174 10.809 ( 0.000 -13.408 -6.366) 14.842 11.227 ( 0.000 -5.748 -3.335) 6.645 11.266 ( 0.000 -5.047 -17.484) 18.198 11.578 ( -2.622 -1.639 3.876) 4.958 11.578 ( 2.622 11.438 7.133) 13.732 12.114 ( 0.000 1.806 10.715) 10.867 12.140 ( 0.000 -0.282 6.251) 6.257 12.233 ( -0.000 1.184 -16.709) 16.751 12.555 ( 0.000 -1.700 6.978) 7.182 12.565 ( -0.000 6.234 -12.796) 14.234 12.598 ( 0.000 -6.477 -5.922) 8.776 12.915 ( -0.000 11.087 -4.772) 12.071 12.973 ( -0.000 2.964 -0.586) 3.022 13.298 ( 0.000 10.334 9.313) 13.911 13.439 ( 0.000 12.888 4.781) 13.746 13.741 ( 0.000 -8.207 -5.667) 9.974 13.806 ( -0.000 -4.292 2.008) 4.739 13.926 ( 0.000 -4.817 -6.544) 8.125 14.465 ( 0.000 20.633 -0.559) 20.641 14.602 ( 0.000 -1.010 -1.036) 1.447 14.766 ( 0.000 4.143 -3.596) 5.486 15.385 ( 0.000 4.116 4.844) 6.357 15.482 ( 0.000 5.806 -1.364) 5.964 15.953 ( 0.000 -6.565 -4.666) 8.054 15.954 ( -0.000 -5.241 -3.319) 6.203 16.101 ( 0.000 -4.508 -8.411) 9.543 16.334 ( 0.000 6.966 -3.417) 7.759 16.467 ( 0.000 -5.232 -9.820) 11.127 16.647 ( 0.000 1.627 -11.752) 11.864 17.026 ( 0.000 -7.310 -3.136) 7.954 17.041 ( 0.000 -11.951 -6.352) 13.534 17.171 ( 0.000 -10.539 4.279) 11.375 17.201 ( -0.000 -2.199 3.074) 3.780 17.303 ( 0.000 -9.578 3.819) 10.312 17.417 ( 0.000 -1.781 2.742) 3.270 17.487 ( 0.000 -7.850 -5.351) 9.500 17.552 ( 0.000 -6.546 -7.733) 10.132 17.738 ( -0.000 -4.686 -3.577) 5.896 17.763 ( 0.000 -1.844 1.114) 2.154 17.886 ( 0.000 -2.946 -3.795) 4.804 18.096 ( 0.000 -3.337 0.708) 3.411 18.154 ( 0.000 -14.404 -2.262) 14.581 18.406 ( 0.000 -5.576 -0.691) 5.618 18.413 ( 0.000 -7.665 3.913) 8.606 18.523 ( -0.000 -0.268 7.626) 7.631 18.534 ( 0.000 -3.780 -5.234) 6.456 18.769 ( 0.000 -5.411 9.070) 10.561 18.821 ( -0.000 -4.878 13.317) 14.182 18.947 ( 0.000 3.206 0.249) 3.215 19.018 ( -0.000 -7.921 -2.036) 8.178 19.251 ( 0.000 -0.911 -5.401) 5.478 19.266 ( -0.000 0.786 -0.577) 0.975 19.381 ( 0.000 2.951 -6.381) 7.030 19.591 ( 0.000 -7.287 -1.573) 7.455 19.646 ( 0.000 -3.826 -3.242) 5.015 19.809 ( 0.000 6.585 -5.426) 8.533 19.825 ( -0.000 14.609 1.419) 14.678 20.088 ( 0.000 14.775 -1.133) 14.819 20.428 ( 0.000 8.055 0.402) 8.065 20.638 ( -0.000 5.426 4.106) 6.804 20.666 ( 0.000 -4.082 1.434) 4.327 20.899 ( 0.000 -4.842 -2.311) 5.365 21.064 ( 0.000 12.210 7.749) 14.461 21.098 ( -0.000 3.795 -2.477) 4.532 21.328 ( 0.000 9.155 3.619) 9.845 21.605 ( 0.000 14.471 -6.512) 15.869 21.653 ( -0.000 8.980 -3.893) 9.788 21.851 ( 0.000 2.462 -5.444) 5.975 21.925 ( 0.000 4.325 5.947) 7.353 22.059 ( 0.000 -1.903 2.160) 2.879 22.158 ( 0.000 1.643 -2.201) 2.746 22.291 ( 0.000 -1.116 2.224) 2.489 22.370 ( 0.000 4.072 -0.236) 4.078 22.451 ( -0.000 -3.301 3.318) 4.680 22.483 ( 0.000 0.793 1.689) 1.866 22.579 ( 0.000 -5.508 -1.583) 5.731 22.668 ( -0.000 -0.366 1.692) 1.731 22.819 ( 0.000 -1.994 -4.102) 4.561 22.884 ( -0.000 -1.690 -4.786) 5.076 23.028 ( 0.000 -5.365 -0.439) 5.383 23.053 ( -0.000 0.502 -3.953) 3.984 23.113 ( 0.000 -2.176 -0.099) 2.178 23.177 ( -0.000 0.330 -1.660) 1.692 23.322 ( 0.000 -0.402 -5.274) 5.289 23.397 ( 0.000 0.292 -1.791) 1.814 23.443 ( -0.000 -3.839 -3.354) 5.098 23.697 ( 0.000 6.951 2.501) 7.388 23.809 ( -0.000 1.443 3.292) 3.594 23.810 ( 0.000 1.057 2.631) 2.835 24.023 ( 0.000 -0.539 1.468) 1.564 24.048 ( -0.000 -1.801 5.439) 5.729 24.085 ( -0.000 -0.630 -0.507) 0.809 24.200 ( 0.000 3.315 -1.199) 3.525 24.290 ( 0.000 -2.236 -2.056) 3.037 24.366 ( 0.000 1.325 -3.218) 3.480 24.675 ( 0.000 -3.704 -1.691) 4.072 24.864 ( 0.000 4.519 1.952) 4.923 25.039 ( 0.000 -0.410 2.795) 2.824 25.159 ( 0.000 3.320 7.904) 8.573 25.460 ( 0.000 -2.440 3.822) 4.535 25.489 ( 0.000 -3.366 2.083) 3.958 25.552 ( 0.000 -4.980 0.859) 5.054 25.686 ( -0.000 6.375 -3.095) 7.087 25.771 ( 0.000 2.205 -1.105) 2.467 26.011 ( -0.000 8.358 1.463) 8.485 26.214 ( 0.000 -3.618 0.066) 3.619 26.235 ( -0.000 -2.632 1.057) 2.836 26.331 ( 0.000 -0.943 -1.610) 1.866 26.393 ( 0.000 -1.159 2.726) 2.963 26.573 ( 0.000 3.195 -4.155) 5.241 26.584 ( -0.000 2.307 -1.058) 2.538 26.786 ( 0.000 -7.595 2.052) 7.867 26.846 ( 0.000 -6.648 -1.132) 6.743 26.995 ( 0.000 2.908 -0.469) 2.945 27.063 ( 0.000 -0.921 -0.672) 1.140 27.254 ( 0.000 -4.502 -3.646) 5.793 27.472 ( 0.000 -5.688 0.200) 5.691 27.704 ( 0.000 10.441 0.931) 10.483 27.774 ( 0.000 -3.004 3.732) 4.791 27.908 ( 0.000 5.196 -1.135) 5.319 28.032 ( -0.000 4.081 2.255) 4.663 28.545 ( 0.000 -1.918 4.267) 4.679 28.563 ( 0.000 -1.027 1.735) 2.016 28.715 ( 0.000 -4.876 -0.263) 4.883 28.778 ( 0.000 -4.271 2.542) 4.970 29.328 ( 0.000 4.294 2.256) 4.851 29.373 ( -0.000 5.559 2.403) 6.056 29.668 ( 0.000 -3.770 6.363) 7.396 29.784 ( 0.000 -0.457 6.513) 6.529 30.016 ( -0.000 1.386 0.823) 1.612 30.019 ( 0.000 -2.537 -4.411) 5.089 30.107 ( -0.000 0.655 -1.015) 1.208 30.134 ( 0.000 -2.786 -5.012) 5.735 30.196 ( 0.000 2.261 -5.339) 5.799 30.260 ( 0.000 2.882 -4.418) 5.275 30.455 ( -0.000 -2.703 -1.144) 2.936 30.474 ( 0.000 -1.849 -0.384) 1.889 30.492 ( 0.000 -1.469 -1.660) 2.216 30.581 ( 0.000 2.681 -1.626) 3.135 30.627 ( 0.000 0.847 -3.293) 3.400 30.631 ( 0.000 0.833 -2.608) 2.738 33.671 ( 0.000 -0.028 3.129) 3.129 33.681 ( -0.000 0.471 3.154) 3.189 33.713 ( -0.000 -0.531 2.428) 2.485 33.723 ( 0.000 -0.065 2.359) 2.360 ======================= Grid point 212 (48/60) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( 2.722 2.722 -8.753) 9.562 3.744 ( 1.974 1.974 -1.144) 3.017 5.481 ( 0.915 0.915 7.878) 7.984 5.734 ( 6.420 6.420 4.495) 10.131 6.111 ( -1.615 -1.615 14.498) 14.677 6.292 ( -5.973 -5.973 5.648) 10.161 7.598 ( 17.377 17.377 36.331) 43.862 8.368 ( 9.101 9.101 24.306) 27.503 8.516 ( 6.693 6.693 14.180) 17.049 8.703 ( -16.091 -16.091 17.133) 28.485 9.138 ( 1.860 1.860 14.937) 15.166 9.217 ( -1.511 -1.511 25.249) 25.340 9.755 ( 3.987 3.987 9.576) 11.113 10.019 ( 6.122 6.122 -5.060) 10.028 10.210 ( 1.272 1.272 -13.959) 14.074 10.471 ( -12.742 -12.742 23.070) 29.274 10.646 ( -9.544 -9.544 -3.929) 14.058 10.825 ( -0.937 -0.937 -12.310) 12.381 11.173 ( 0.875 0.875 -13.828) 13.883 11.203 ( 3.259 3.259 -19.430) 19.969 11.537 ( -3.301 -3.301 -9.864) 10.913 11.725 ( 9.304 9.304 4.256) 13.830 11.966 ( 9.214 9.214 10.578) 16.784 12.155 ( 3.577 3.577 5.420) 7.415 12.292 ( 3.056 3.056 -14.473) 15.104 12.394 ( -3.579 -3.579 -6.789) 8.468 12.585 ( 1.221 1.221 2.951) 3.419 12.713 ( -0.873 -0.873 3.304) 3.527 12.994 ( 0.719 0.719 2.076) 2.311 13.101 ( 4.965 4.965 5.594) 8.978 13.436 ( 3.070 3.070 7.488) 8.656 13.492 ( 5.522 5.522 -2.179) 8.107 13.713 ( 6.063 6.063 0.476) 8.587 13.763 ( -4.580 -4.580 -2.717) 7.024 13.899 ( 5.757 5.757 -0.939) 8.196 14.603 ( 0.787 0.787 -4.604) 4.737 14.651 ( 7.865 7.865 -1.229) 11.190 14.849 ( 0.691 0.691 1.338) 1.656 15.431 ( 0.522 0.522 1.225) 1.430 15.580 ( -2.495 -2.495 1.923) 4.019 15.778 ( -0.221 -0.221 -3.188) 3.203 15.894 ( -2.768 -2.768 -2.848) 4.841 16.178 ( -8.026 -8.026 4.068) 12.058 16.361 ( -8.357 -8.357 -1.970) 11.981 16.449 ( 0.445 0.445 -8.773) 8.795 16.707 ( -7.596 -7.596 -13.811) 17.497 16.757 ( 2.732 2.732 -8.111) 8.984 16.918 ( -6.876 -6.876 0.071) 9.724 17.039 ( -4.991 -4.991 0.278) 7.063 17.202 ( -6.335 -6.335 2.719) 9.363 17.267 ( -5.400 -5.400 3.028) 8.215 17.360 ( -8.345 -8.345 -2.797) 12.128 17.379 ( -2.658 -2.658 -4.337) 5.739 17.495 ( -5.828 -5.828 -10.471) 13.325 17.641 ( -1.570 -1.570 -2.534) 3.369 17.812 ( -2.177 -2.177 -3.521) 4.678 17.903 ( -4.116 -4.116 1.616) 6.041 17.981 ( -2.789 -2.789 -5.670) 6.907 18.070 ( -5.862 -5.862 1.523) 8.429 18.204 ( 0.275 0.275 2.662) 2.690 18.384 ( -4.753 -4.753 6.298) 9.211 18.476 ( -0.707 -0.707 -2.425) 2.623 18.600 ( -3.426 -3.426 6.161) 7.838 18.663 ( -0.038 -0.038 8.433) 8.433 18.775 ( -4.039 -4.039 9.184) 10.815 18.934 ( -6.160 -6.160 2.663) 9.109 19.012 ( -4.564 -4.564 -7.566) 9.945 19.229 ( 3.292 3.292 -0.535) 4.686 19.319 ( 0.433 0.433 -11.085) 11.102 19.435 ( -1.453 -1.453 -8.365) 8.614 19.468 ( 0.265 0.265 -4.274) 4.290 19.700 ( 4.482 4.482 -2.837) 6.944 19.787 ( 4.082 4.082 -0.447) 5.790 19.986 ( 2.339 2.339 0.824) 3.409 20.274 ( 2.904 2.904 -7.099) 8.201 20.368 ( -0.527 -0.527 -10.125) 10.153 20.595 ( -0.775 -0.775 4.817) 4.940 20.723 ( 6.784 6.784 0.967) 9.643 20.872 ( 2.426 2.426 -5.451) 6.441 21.189 ( 11.702 11.702 6.251) 17.691 21.272 ( 6.137 6.137 7.381) 11.394 21.518 ( -1.945 -1.945 7.500) 7.989 21.618 ( 11.317 11.317 8.173) 17.970 21.796 ( 5.363 5.363 0.184) 7.586 21.897 ( 7.626 7.626 3.253) 11.265 21.925 ( 3.103 3.103 -1.417) 4.611 22.120 ( -1.060 -1.060 1.090) 1.854 22.147 ( -2.536 -2.536 -0.224) 3.594 22.240 ( 8.126 8.126 -3.572) 12.035 22.318 ( -3.832 -3.832 -0.736) 5.469 22.461 ( 1.333 1.333 0.151) 1.891 22.499 ( 1.981 1.981 0.158) 2.805 22.563 ( -4.688 -4.688 0.592) 6.656 22.643 ( -0.963 -0.963 -1.517) 2.038 22.810 ( -0.327 -0.327 -4.112) 4.138 22.837 ( -0.441 -0.441 -5.339) 5.375 22.955 ( -5.751 -5.751 -2.181) 8.421 23.037 ( 1.782 1.782 -3.145) 4.030 23.088 ( -2.256 -2.256 0.841) 3.300 23.227 ( 0.478 0.478 -0.888) 1.116 23.277 ( -0.578 -0.578 -4.968) 5.035 23.414 ( 1.066 1.066 -4.062) 4.333 23.437 ( -4.869 -4.869 -5.613) 8.883 23.748 ( 2.590 2.590 5.795) 6.855 23.820 ( 1.806 1.806 4.011) 4.755 23.853 ( 0.417 0.417 1.419) 1.537 23.997 ( 0.756 0.756 5.267) 5.375 24.034 ( -0.404 -0.404 2.897) 2.953 24.099 ( -1.312 -1.312 -0.944) 2.082 24.215 ( 1.674 1.674 -1.891) 3.030 24.273 ( -1.329 -1.329 0.532) 1.953 24.387 ( -0.420 -0.420 -3.596) 3.645 24.629 ( 0.127 0.127 -2.896) 2.902 24.906 ( 1.986 1.986 2.498) 3.759 25.032 ( 4.041 4.041 1.860) 6.010 25.205 ( 0.015 0.015 7.495) 7.495 25.395 ( -2.467 -2.467 -0.780) 3.575 25.430 ( 0.137 0.137 5.673) 5.676 25.520 ( -2.020 -2.020 3.456) 4.483 25.748 ( 4.022 4.022 -0.255) 5.694 25.852 ( 5.451 5.451 -6.989) 10.406 26.054 ( 0.005 0.005 3.533) 3.533 26.120 ( 0.572 0.572 -1.743) 1.922 26.224 ( -3.616 -3.616 1.105) 5.232 26.335 ( 1.317 1.317 0.883) 2.062 26.411 ( -1.140 -1.140 4.996) 5.250 26.582 ( 1.311 1.311 -3.352) 3.830 26.639 ( 1.787 1.787 -3.902) 4.649 26.691 ( -4.766 -4.766 2.935) 7.351 26.790 ( -4.404 -4.404 -1.155) 6.334 27.013 ( -6.113 -6.113 -4.600) 9.793 27.047 ( -2.055 -2.055 -1.557) 3.297 27.312 ( 0.418 0.418 -1.150) 1.293 27.333 ( 0.104 0.104 -0.501) 0.522 27.712 ( -4.362 -4.362 2.647) 6.713 27.846 ( 6.377 6.377 2.968) 9.494 27.942 ( 7.277 7.277 -0.032) 10.292 28.122 ( -0.166 -0.166 1.653) 1.670 28.499 ( -1.409 -1.409 3.145) 3.723 28.592 ( -5.156 -5.156 3.373) 8.034 28.643 ( -0.945 -0.945 1.487) 2.000 28.700 ( -2.414 -2.414 0.556) 3.459 29.403 ( 4.867 4.867 1.716) 7.094 29.409 ( 4.005 4.005 4.397) 7.171 29.657 ( -2.718 -2.718 4.781) 6.135 29.749 ( -1.776 -1.776 5.623) 6.159 29.982 ( -2.454 -2.454 -6.730) 7.572 30.045 ( -0.043 -0.043 -2.370) 2.371 30.099 ( 0.800 0.800 -2.160) 2.438 30.115 ( 1.344 1.344 0.282) 1.921 30.224 ( 0.546 0.546 -3.934) 4.009 30.299 ( 1.100 1.100 -3.025) 3.402 30.410 ( -0.854 -0.854 -1.877) 2.232 30.462 ( -2.144 -2.144 -0.803) 3.136 30.474 ( -1.058 -1.058 -1.751) 2.303 30.613 ( 1.188 1.188 -1.987) 2.602 30.630 ( 1.035 1.035 -2.198) 2.641 30.640 ( 0.757 0.757 -3.028) 3.211 33.671 ( 0.093 0.093 3.035) 3.038 33.691 ( 0.238 0.238 2.723) 2.744 33.700 ( -0.072 -0.072 3.051) 3.053 33.725 ( -0.412 -0.412 2.259) 2.333 ======================= Grid point 213 (49/60) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.738 ( 0.000 2.354 -9.876) 10.153 3.763 ( 0.000 1.620 -0.463) 1.684 5.492 ( 0.000 1.303 7.810) 7.918 5.802 ( 0.000 10.885 5.908) 12.385 6.118 ( 0.000 -3.494 10.393) 10.964 6.204 ( -0.000 -6.583 7.877) 10.266 7.866 ( 0.000 10.122 28.436) 30.183 8.273 ( 0.000 -4.965 20.914) 21.495 8.511 ( 0.000 -17.891 5.667) 18.767 8.757 ( 0.000 19.672 40.198) 44.753 9.136 ( -0.000 11.978 25.588) 28.253 9.192 ( 0.000 1.419 20.756) 20.804 9.722 ( 0.000 7.921 5.277) 9.518 10.178 ( -0.000 7.346 -6.628) 9.894 10.190 ( 0.000 -2.024 -7.051) 7.336 10.401 ( 0.000 -15.224 21.390) 26.254 10.509 ( 0.000 -14.442 -9.353) 17.206 10.784 ( 0.000 5.063 -15.830) 16.620 11.196 ( -0.000 0.708 -15.256) 15.273 11.220 ( 0.000 -0.958 -18.320) 18.345 11.517 ( 0.000 -1.903 -21.427) 21.511 11.807 ( 0.000 12.729 -3.125) 13.107 12.109 ( 0.000 -2.892 3.494) 4.535 12.213 ( -0.000 -3.579 -22.976) 23.253 12.234 ( 0.000 5.591 3.938) 6.839 12.382 ( -0.000 -6.370 2.081) 6.701 12.636 ( 0.000 7.405 16.352) 17.950 12.695 ( 0.000 2.554 6.370) 6.863 13.028 ( -0.000 4.966 11.644) 12.659 13.110 ( -0.000 11.562 1.867) 11.712 13.486 ( 0.000 -8.198 -2.864) 8.684 13.547 ( 0.000 7.736 12.181) 14.430 13.719 ( 0.000 0.399 -3.327) 3.351 13.774 ( 0.000 10.743 10.974) 15.357 13.966 ( 0.000 5.936 -1.598) 6.147 14.591 ( -0.000 0.866 -4.943) 5.018 14.730 ( 0.000 -8.418 -2.505) 8.783 14.823 ( 0.000 14.331 3.835) 14.835 15.464 ( 0.000 1.832 10.438) 10.597 15.510 ( -0.000 -5.012 -5.086) 7.141 15.852 ( 0.000 -0.633 -0.908) 1.107 15.876 ( -0.000 -1.077 -6.042) 6.137 16.022 ( 0.000 -3.498 -2.840) 4.506 16.236 ( 0.000 -11.113 2.004) 11.293 16.501 ( 0.000 2.796 -14.503) 14.770 16.596 ( -0.000 -6.273 -12.798) 14.253 16.787 ( 0.000 -16.067 2.053) 16.198 16.949 ( -0.000 0.232 -0.907) 0.936 16.965 ( 0.000 -0.481 -8.044) 8.058 17.136 ( -0.000 -9.390 0.035) 9.390 17.166 ( -0.000 -2.717 1.854) 3.289 17.276 ( 0.000 -9.710 -0.008) 9.710 17.393 ( -0.000 -3.476 -3.465) 4.908 17.394 ( 0.000 -7.805 -9.187) 12.055 17.647 ( 0.000 -3.604 -5.321) 6.426 17.749 ( -0.000 -0.640 1.944) 2.046 17.893 ( -0.000 0.507 -2.278) 2.333 17.975 ( 0.000 -8.115 0.980) 8.174 17.983 ( -0.000 -2.719 -4.028) 4.860 18.261 ( 0.000 -6.302 4.480) 7.732 18.278 ( 0.000 -6.327 3.474) 7.219 18.516 ( 0.000 1.175 -8.653) 8.732 18.536 ( -0.000 1.541 11.339) 11.443 18.700 ( -0.000 -2.194 5.957) 6.349 18.722 ( 0.000 -0.660 6.162) 6.197 18.860 ( 0.000 -8.171 2.013) 8.415 18.955 ( 0.000 -7.827 -5.871) 9.784 19.266 ( 0.000 5.200 -7.946) 9.496 19.318 ( 0.000 3.068 -2.052) 3.691 19.418 ( 0.000 -0.317 -15.248) 15.251 19.488 ( 0.000 -2.906 -3.369) 4.449 19.716 ( 0.000 8.962 -0.367) 8.969 19.875 ( 0.000 0.171 -0.253) 0.306 19.973 ( -0.000 1.199 0.861) 1.476 20.290 ( 0.000 6.651 -7.358) 9.919 20.383 ( 0.000 -2.870 -7.525) 8.054 20.579 ( -0.000 -4.588 4.873) 6.693 20.805 ( 0.000 5.614 2.487) 6.140 20.881 ( 0.000 -0.807 -5.060) 5.124 21.304 ( 0.000 18.491 1.920) 18.591 21.321 ( 0.000 9.504 7.722) 12.246 21.504 ( -0.000 7.883 6.911) 10.483 21.778 ( 0.000 9.267 0.468) 9.279 21.836 ( -0.000 8.404 4.674) 9.616 21.934 ( 0.000 3.858 -6.013) 7.145 21.981 ( 0.000 -0.160 11.203) 11.204 22.080 ( 0.000 2.705 0.212) 2.713 22.152 ( 0.000 -1.755 -0.368) 1.794 22.277 ( 0.000 -9.572 -0.155) 9.574 22.343 ( 0.000 4.082 -1.239) 4.266 22.446 ( -0.000 0.508 0.085) 0.515 22.525 ( 0.000 4.549 1.257) 4.720 22.526 ( -0.000 0.360 -1.405) 1.450 22.651 ( 0.000 -0.933 3.285) 3.415 22.787 ( 0.000 -2.844 -0.758) 2.943 22.832 ( -0.000 -2.665 -3.596) 4.475 22.877 ( 0.000 -8.730 -2.321) 9.033 23.047 ( 0.000 -1.657 -1.095) 1.986 23.124 ( -0.000 4.003 -5.897) 7.128 23.190 ( 0.000 0.882 -5.541) 5.611 23.294 ( 0.000 -2.499 -4.524) 5.168 23.363 ( -0.000 -3.986 -5.321) 6.649 23.433 ( 0.000 1.771 -4.049) 4.419 23.779 ( -0.000 2.319 6.724) 7.113 23.837 ( 0.000 1.755 2.449) 3.013 23.849 ( 0.000 1.763 2.119) 2.756 24.004 ( 0.000 -2.458 7.124) 7.536 24.041 ( 0.000 2.318 0.841) 2.466 24.078 ( -0.000 -0.398 -0.533) 0.665 24.228 ( 0.000 -1.263 -2.867) 3.133 24.265 ( 0.000 0.566 1.624) 1.720 24.379 ( 0.000 0.095 -2.853) 2.855 24.634 ( 0.000 -0.868 -3.424) 3.533 24.926 ( 0.000 2.461 3.005) 3.884 25.083 ( 0.000 4.700 1.066) 4.819 25.192 ( 0.000 0.159 8.394) 8.395 25.364 ( 0.000 -8.883 0.873) 8.926 25.452 ( 0.000 1.376 4.692) 4.889 25.489 ( 0.000 -1.605 4.086) 4.390 25.819 ( -0.000 7.473 -3.539) 8.269 25.856 ( 0.000 5.305 -4.159) 6.740 26.093 ( 0.000 -1.998 1.474) 2.483 26.118 ( -0.000 -5.916 -0.251) 5.921 26.188 ( 0.000 1.209 1.365) 1.823 26.358 ( 0.000 1.974 2.005) 2.814 26.367 ( -0.000 -1.233 5.994) 6.120 26.609 ( 0.000 -4.525 -0.962) 4.626 26.646 ( -0.000 3.964 -5.277) 6.600 26.658 ( 0.000 -0.359 -0.201) 0.412 26.747 ( 0.000 -3.754 -1.297) 3.972 26.949 ( 0.000 -7.351 -5.146) 8.973 27.018 ( 0.000 -0.264 -2.133) 2.149 27.285 ( -0.000 4.309 -1.262) 4.490 27.375 ( 0.000 -3.686 -0.630) 3.740 27.655 ( 0.000 -7.096 2.304) 7.461 27.916 ( 0.000 10.739 3.652) 11.343 28.045 ( 0.000 6.973 0.607) 6.999 28.097 ( -0.000 3.008 1.807) 3.509 28.489 ( 0.000 -3.921 4.548) 6.005 28.516 ( -0.000 -4.507 2.780) 5.295 28.646 ( 0.000 -2.144 -0.196) 2.153 28.673 ( -0.000 -5.080 1.663) 5.345 29.431 ( 0.000 5.888 4.150) 7.204 29.489 ( 0.000 6.389 1.912) 6.669 29.610 ( 0.000 -2.628 4.562) 5.264 29.736 ( 0.000 -3.939 5.978) 7.159 29.953 ( 0.000 -3.521 -8.345) 9.057 30.035 ( 0.000 -0.729 -5.737) 5.784 30.117 ( 0.000 1.821 -0.017) 1.822 30.134 ( -0.000 1.492 0.966) 1.777 30.225 ( 0.000 0.552 -2.495) 2.555 30.308 ( 0.000 2.190 -2.039) 2.992 30.413 ( 0.000 -1.512 -2.316) 2.765 30.431 ( -0.000 -2.416 -1.493) 2.840 30.464 ( 0.000 -1.441 -1.666) 2.203 30.623 ( 0.000 1.620 -1.999) 2.573 30.644 ( -0.000 0.765 -2.757) 2.861 30.645 ( 0.000 0.596 -2.331) 2.406 33.673 ( 0.000 0.157 2.901) 2.905 33.691 ( -0.000 0.514 3.004) 3.048 33.703 ( 0.000 -0.513 2.671) 2.720 33.719 ( 0.000 -0.312 2.495) 2.514 ======================= Grid point 223 (50/60) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.763 ( 0.000 0.000 -10.867) 10.867 3.778 ( 0.000 0.000 0.011) 0.011 5.508 ( 0.000 0.000 7.620) 7.620 5.966 ( 0.000 0.000 2.113) 2.113 6.081 ( 0.000 0.000 11.376) 11.376 6.081 ( 0.000 0.000 11.376) 11.376 8.084 ( 0.000 0.000 19.836) 19.836 8.220 ( 0.000 0.000 16.095) 16.095 8.220 ( 0.000 0.000 16.095) 16.095 8.960 ( 0.000 0.000 44.543) 44.543 9.270 ( -0.000 -0.000 21.816) 21.816 9.270 ( 0.000 0.000 21.816) 21.816 9.703 ( 0.000 0.000 16.641) 16.641 10.168 ( 0.000 0.000 34.769) 34.769 10.254 ( 0.000 0.000 -5.751) 5.751 10.323 ( -0.000 -0.000 -15.228) 15.228 10.323 ( 0.000 0.000 -15.228) 15.228 10.803 ( -0.000 -0.000 -22.569) 22.569 11.207 ( 0.000 0.000 -18.047) 18.047 11.207 ( 0.000 0.000 -18.047) 18.047 11.515 ( 0.000 0.000 -37.473) 37.473 12.062 ( -0.000 -0.000 1.861) 1.861 12.062 ( 0.000 0.000 1.861) 1.861 12.079 ( 0.000 0.000 -24.694) 24.694 12.166 ( 0.000 0.000 -21.678) 21.678 12.435 ( 0.000 0.000 19.520) 19.520 12.710 ( 0.000 0.000 11.821) 11.821 12.710 ( 0.000 0.000 11.821) 11.821 13.140 ( 0.000 0.000 19.288) 19.288 13.348 ( 0.000 0.000 -1.351) 1.351 13.348 ( 0.000 0.000 -1.351) 1.351 13.449 ( -0.000 -0.000 15.637) 15.637 13.898 ( -0.000 -0.000 16.695) 16.695 13.898 ( 0.000 0.000 16.695) 16.695 13.949 ( 0.000 0.000 -2.134) 2.134 14.607 ( -0.000 -0.000 -6.706) 6.706 14.607 ( 0.000 0.000 -6.706) 6.706 14.953 ( 0.000 0.000 6.302) 6.302 15.407 ( 0.000 0.000 -7.295) 7.295 15.464 ( 0.000 0.000 11.052) 11.052 15.897 ( 0.000 0.000 -6.851) 6.851 15.982 ( -0.000 -0.000 2.784) 2.784 15.982 ( 0.000 0.000 2.784) 2.784 16.009 ( -0.000 -0.000 -4.286) 4.286 16.518 ( -0.000 -0.000 -16.282) 16.282 16.518 ( 0.000 0.000 -16.282) 16.282 16.627 ( 0.000 0.000 0.954) 0.954 17.013 ( -0.000 -0.000 2.170) 2.170 17.013 ( -0.000 -0.000 2.170) 2.170 17.031 ( 0.000 0.000 -13.796) 13.796 17.032 ( 0.000 0.000 0.126) 0.126 17.262 ( 0.000 0.000 5.080) 5.080 17.304 ( -0.000 -0.000 -8.731) 8.731 17.304 ( 0.000 0.000 -8.731) 8.731 17.631 ( 0.000 0.000 -10.680) 10.680 17.741 ( -0.000 -0.000 4.494) 4.494 17.875 ( -0.000 -0.000 4.409) 4.409 17.875 ( 0.000 0.000 4.409) 4.409 17.993 ( -0.000 -0.000 -11.778) 11.778 18.209 ( 0.000 0.000 4.356) 4.356 18.209 ( -0.000 -0.000 4.356) 4.356 18.540 ( 0.000 0.000 -12.193) 12.193 18.552 ( 0.000 0.000 16.011) 16.011 18.723 ( 0.000 0.000 0.197) 0.197 18.723 ( 0.000 0.000 0.197) 0.197 18.764 ( -0.000 -0.000 11.018) 11.018 18.823 ( -0.000 -0.000 -8.881) 8.881 19.339 ( 0.000 0.000 -6.151) 6.151 19.339 ( 0.000 0.000 -6.151) 6.151 19.397 ( 0.000 0.000 -21.174) 21.174 19.478 ( -0.000 -0.000 -1.430) 1.430 19.861 ( 0.000 0.000 2.324) 2.324 19.861 ( 0.000 0.000 2.324) 2.324 19.928 ( -0.000 -0.000 -0.952) 0.952 20.363 ( 0.000 0.000 -6.832) 6.832 20.363 ( 0.000 0.000 -6.832) 6.832 20.522 ( -0.000 -0.000 6.224) 6.224 20.853 ( 0.000 0.000 1.947) 1.947 20.864 ( 0.000 0.000 -6.452) 6.452 21.400 ( 0.000 0.000 4.528) 4.528 21.562 ( 0.000 0.000 2.087) 2.087 21.562 ( 0.000 0.000 2.087) 2.087 21.930 ( -0.000 -0.000 -5.158) 5.158 21.931 ( 0.000 0.000 15.886) 15.886 21.970 ( 0.000 0.000 2.998) 2.998 21.970 ( 0.000 0.000 2.998) 2.998 22.048 ( -0.000 -0.000 2.664) 2.664 22.129 ( -0.000 -0.000 0.873) 0.873 22.129 ( 0.000 0.000 0.873) 0.873 22.416 ( -0.000 -0.000 3.574) 3.574 22.454 ( 0.000 0.000 -3.718) 3.718 22.580 ( -0.000 -0.000 3.900) 3.900 22.615 ( 0.000 0.000 -5.692) 5.692 22.641 ( -0.000 -0.000 1.936) 1.936 22.641 ( 0.000 0.000 1.936) 1.936 22.811 ( 0.000 0.000 -1.660) 1.660 22.811 ( 0.000 0.000 -1.660) 1.660 23.028 ( 0.000 0.000 -1.631) 1.631 23.201 ( 0.000 0.000 -9.947) 9.947 23.201 ( 0.000 0.000 -9.947) 9.947 23.265 ( -0.000 -0.000 -0.413) 0.413 23.286 ( 0.000 0.000 -5.613) 5.613 23.455 ( 0.000 0.000 -4.335) 4.335 23.802 ( -0.000 -0.000 7.742) 7.742 23.861 ( 0.000 0.000 1.663) 1.663 23.861 ( 0.000 0.000 1.663) 1.663 23.973 ( 0.000 0.000 7.749) 7.749 24.074 ( 0.000 0.000 -0.432) 0.432 24.074 ( 0.000 0.000 -0.432) 0.432 24.204 ( 0.000 0.000 0.117) 0.117 24.277 ( 0.000 0.000 0.899) 0.899 24.378 ( 0.000 0.000 -2.494) 2.494 24.629 ( 0.000 0.000 -3.959) 3.959 24.953 ( 0.000 0.000 3.014) 3.014 25.188 ( -0.000 -0.000 8.237) 8.237 25.188 ( 0.000 0.000 8.237) 8.237 25.216 ( -0.000 -0.000 -6.932) 6.932 25.474 ( 0.000 0.000 5.342) 5.342 25.474 ( 0.000 0.000 5.342) 5.342 25.925 ( 0.000 0.000 -9.098) 9.098 25.925 ( 0.000 0.000 -9.098) 9.098 26.023 ( -0.000 -0.000 8.447) 8.447 26.041 ( -0.000 -0.000 3.591) 3.591 26.237 ( 0.000 0.000 -1.783) 1.783 26.354 ( 0.000 0.000 6.576) 6.576 26.354 ( 0.000 0.000 6.576) 6.576 26.536 ( 0.000 0.000 0.829) 0.829 26.695 ( -0.000 -0.000 -5.627) 5.627 26.695 ( 0.000 0.000 -5.627) 5.627 26.706 ( 0.000 0.000 -0.654) 0.654 26.864 ( 0.000 0.000 -5.518) 5.518 27.009 ( 0.000 0.000 -3.371) 3.371 27.341 ( 0.000 0.000 -0.431) 0.431 27.341 ( 0.000 0.000 -0.431) 0.431 27.571 ( 0.000 0.000 1.942) 1.942 28.033 ( 0.000 0.000 5.086) 5.086 28.121 ( 0.000 0.000 1.115) 1.115 28.140 ( 0.000 0.000 1.015) 1.015 28.439 ( 0.000 0.000 3.746) 3.746 28.439 ( 0.000 0.000 3.746) 3.746 28.628 ( 0.000 0.000 0.665) 0.665 28.628 ( 0.000 0.000 0.665) 0.665 29.505 ( -0.000 -0.000 9.126) 9.126 29.573 ( 0.000 0.000 -0.045) 0.045 29.573 ( 0.000 0.000 -0.045) 0.045 29.676 ( 0.000 0.000 7.689) 7.689 29.915 ( 0.000 0.000 -9.445) 9.445 30.020 ( -0.000 -0.000 -8.051) 8.051 30.150 ( 0.000 0.000 0.836) 0.836 30.150 ( 0.000 0.000 0.836) 0.836 30.222 ( 0.000 0.000 -0.143) 0.143 30.334 ( 0.000 0.000 0.743) 0.743 30.401 ( -0.000 -0.000 -3.657) 3.657 30.401 ( 0.000 0.000 -3.657) 3.657 30.447 ( 0.000 0.000 -1.367) 1.367 30.638 ( 0.000 0.000 -2.402) 2.402 30.651 ( 0.000 0.000 -2.254) 2.254 30.651 ( 0.000 0.000 -2.254) 2.254 33.675 ( 0.000 0.000 2.694) 2.694 33.697 ( 0.000 0.000 2.884) 2.884 33.697 ( 0.000 0.000 2.884) 2.884 33.715 ( 0.000 0.000 2.610) 2.610 ======================= Grid point 245 (51/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 5.531 ( 0.000 0.000 -1.290) 1.290 5.531 ( 0.000 0.000 1.290) 1.290 6.688 ( 0.000 0.000 -2.678) 2.678 6.688 ( 0.000 0.000 2.678) 2.678 7.617 ( 0.000 0.000 0.000) 0.000 7.617 ( 0.000 0.000 0.000) 0.000 7.835 ( 0.000 0.000 -0.000) 0.000 7.835 ( 0.000 0.000 -0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 -25.916) 25.916 10.272 ( 0.000 0.000 25.916) 25.916 10.922 ( 0.000 0.000 0.000) 0.000 10.922 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 -36.373) 36.373 11.067 ( 0.000 0.000 36.373) 36.373 11.083 ( 0.000 0.000 0.000) 0.000 11.083 ( 0.000 0.000 0.000) 0.000 11.362 ( 0.000 0.000 -7.154) 7.154 11.362 ( 0.000 0.000 7.154) 7.154 11.485 ( 0.000 0.000 -41.647) 41.647 11.485 ( 0.000 0.000 41.647) 41.647 12.086 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.647 ( 0.000 0.000 -28.810) 28.810 12.647 ( 0.000 0.000 28.810) 28.810 12.769 ( 0.000 0.000 0.000) 0.000 12.769 ( 0.000 0.000 0.000) 0.000 13.214 ( 0.000 0.000 0.000) 0.000 13.214 ( 0.000 0.000 0.000) 0.000 13.655 ( 0.000 0.000 -7.380) 7.380 13.655 ( 0.000 0.000 7.380) 7.380 14.041 ( 0.000 0.000 0.000) 0.000 14.041 ( 0.000 0.000 0.000) 0.000 14.565 ( 0.000 0.000 -2.748) 2.748 14.565 ( 0.000 0.000 2.748) 2.748 15.391 ( 0.000 0.000 0.000) 0.000 15.391 ( 0.000 0.000 0.000) 0.000 15.881 ( 0.000 0.000 -7.750) 7.750 15.881 ( 0.000 0.000 7.750) 7.750 16.333 ( 0.000 0.000 0.000) 0.000 16.333 ( 0.000 0.000 0.000) 0.000 16.803 ( 0.000 0.000 -1.855) 1.855 16.803 ( 0.000 0.000 1.855) 1.855 17.212 ( 0.000 0.000 0.000) 0.000 17.212 ( 0.000 0.000 0.000) 0.000 17.388 ( 0.000 0.000 0.000) 0.000 17.388 ( 0.000 0.000 0.000) 0.000 17.663 ( 0.000 0.000 -6.144) 6.144 17.663 ( 0.000 0.000 6.144) 6.144 17.918 ( 0.000 0.000 0.000) 0.000 17.918 ( 0.000 0.000 0.000) 0.000 18.002 ( 0.000 0.000 0.000) 0.000 18.002 ( 0.000 0.000 0.000) 0.000 18.012 ( 0.000 0.000 -3.479) 3.479 18.012 ( 0.000 0.000 3.479) 3.479 18.275 ( 0.000 0.000 -1.274) 1.274 18.275 ( 0.000 0.000 1.274) 1.274 18.668 ( 0.000 0.000 -24.290) 24.290 18.668 ( 0.000 0.000 24.290) 24.290 18.865 ( 0.000 0.000 0.000) 0.000 18.865 ( 0.000 0.000 0.000) 0.000 19.134 ( 0.000 0.000 -2.274) 2.274 19.134 ( 0.000 0.000 2.274) 2.274 19.233 ( 0.000 0.000 -11.876) 11.876 19.233 ( 0.000 0.000 11.876) 11.876 19.243 ( 0.000 0.000 0.000) 0.000 19.243 ( 0.000 0.000 0.000) 0.000 19.436 ( 0.000 0.000 0.000) 0.000 19.436 ( 0.000 0.000 0.000) 0.000 19.610 ( 0.000 0.000 0.000) 0.000 19.610 ( 0.000 0.000 0.000) 0.000 20.122 ( 0.000 0.000 -7.842) 7.842 20.122 ( 0.000 0.000 7.842) 7.842 20.462 ( 0.000 0.000 0.000) 0.000 20.462 ( 0.000 0.000 0.000) 0.000 20.658 ( 0.000 0.000 -15.111) 15.111 20.658 ( 0.000 0.000 15.111) 15.111 21.353 ( 0.000 0.000 -6.672) 6.672 21.353 ( 0.000 0.000 6.672) 6.672 21.410 ( 0.000 0.000 0.000) 0.000 21.410 ( 0.000 0.000 0.000) 0.000 21.421 ( 0.000 0.000 -0.000) 0.000 21.421 ( 0.000 0.000 -0.000) 0.000 22.370 ( 0.000 0.000 -0.000) 0.000 22.370 ( 0.000 0.000 -0.000) 0.000 22.418 ( 0.000 0.000 0.000) 0.000 22.418 ( 0.000 0.000 0.000) 0.000 22.464 ( 0.000 0.000 -6.449) 6.449 22.464 ( 0.000 0.000 6.449) 6.449 22.486 ( 0.000 0.000 -9.218) 9.218 22.486 ( 0.000 0.000 9.218) 9.218 22.715 ( 0.000 0.000 -6.159) 6.159 22.715 ( 0.000 0.000 6.159) 6.159 23.043 ( 0.000 0.000 0.000) 0.000 23.043 ( 0.000 0.000 0.000) 0.000 23.075 ( 0.000 0.000 0.000) 0.000 23.075 ( 0.000 0.000 0.000) 0.000 23.444 ( 0.000 0.000 -0.290) 0.290 23.444 ( 0.000 0.000 0.290) 0.290 23.615 ( 0.000 0.000 0.000) 0.000 23.615 ( 0.000 0.000 0.000) 0.000 23.842 ( 0.000 0.000 -0.639) 0.639 23.842 ( 0.000 0.000 0.639) 0.639 24.069 ( 0.000 0.000 0.000) 0.000 24.069 ( 0.000 0.000 0.000) 0.000 24.155 ( 0.000 0.000 -3.818) 3.818 24.155 ( 0.000 0.000 3.818) 3.818 24.386 ( 0.000 0.000 0.000) 0.000 24.386 ( 0.000 0.000 0.000) 0.000 24.603 ( 0.000 0.000 -3.708) 3.708 24.603 ( 0.000 0.000 3.708) 3.708 24.918 ( 0.000 0.000 -9.433) 9.433 24.918 ( 0.000 0.000 9.433) 9.433 25.320 ( 0.000 0.000 -3.291) 3.291 25.320 ( 0.000 0.000 3.291) 3.291 25.681 ( 0.000 0.000 0.000) 0.000 25.681 ( 0.000 0.000 0.000) 0.000 25.963 ( 0.000 0.000 0.000) 0.000 25.963 ( 0.000 0.000 0.000) 0.000 25.987 ( 0.000 0.000 -7.422) 7.422 25.987 ( 0.000 0.000 7.422) 7.422 26.517 ( 0.000 0.000 0.000) 0.000 26.517 ( 0.000 0.000 0.000) 0.000 26.532 ( 0.000 0.000 -3.602) 3.602 26.532 ( 0.000 0.000 3.602) 3.602 27.118 ( 0.000 0.000 0.000) 0.000 27.118 ( 0.000 0.000 0.000) 0.000 27.315 ( 0.000 0.000 0.000) 0.000 27.315 ( 0.000 0.000 0.000) 0.000 27.356 ( 0.000 0.000 -0.116) 0.116 27.356 ( 0.000 0.000 0.116) 0.116 27.396 ( 0.000 0.000 -8.330) 8.330 27.396 ( 0.000 0.000 8.330) 8.330 28.165 ( 0.000 0.000 -2.318) 2.318 28.165 ( 0.000 0.000 2.318) 2.318 28.549 ( 0.000 0.000 0.000) 0.000 28.549 ( 0.000 0.000 0.000) 0.000 28.779 ( 0.000 0.000 0.000) 0.000 28.779 ( 0.000 0.000 0.000) 0.000 29.293 ( 0.000 0.000 -1.425) 1.425 29.293 ( 0.000 0.000 1.425) 1.425 29.930 ( 0.000 0.000 -1.145) 1.145 29.930 ( 0.000 0.000 1.145) 1.145 29.972 ( 0.000 0.000 0.000) 0.000 29.972 ( 0.000 0.000 0.000) 0.000 30.050 ( 0.000 0.000 0.000) 0.000 30.050 ( 0.000 0.000 0.000) 0.000 30.165 ( 0.000 0.000 -4.074) 4.074 30.165 ( 0.000 0.000 4.074) 4.074 30.485 ( 0.000 0.000 -1.387) 1.387 30.485 ( 0.000 0.000 1.387) 1.387 30.500 ( 0.000 0.000 0.000) 0.000 30.500 ( 0.000 0.000 0.000) 0.000 30.563 ( 0.000 0.000 0.000) 0.000 30.563 ( 0.000 0.000 0.000) 0.000 33.705 ( 0.000 0.000 0.000) 0.000 33.705 ( 0.000 0.000 0.000) 0.000 33.750 ( 0.000 0.000 -1.312) 1.312 33.750 ( 0.000 0.000 1.312) 1.312 ======================= Grid point 247 (52/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( 3.919 0.000 -0.118) 3.921 3.533 ( 3.919 0.000 0.118) 3.921 5.545 ( 1.316 0.000 -1.257) 1.820 5.545 ( 1.316 0.000 1.257) 1.820 6.568 ( -9.923 0.000 -1.092) 9.983 6.568 ( -9.923 0.000 1.092) 9.983 7.822 ( 18.397 0.000 -25.711) 31.615 7.822 ( 18.397 0.000 25.711) 31.615 8.002 ( 17.770 0.000 -21.279) 27.723 8.002 ( 17.770 0.000 21.279) 27.723 9.716 ( -13.627 0.000 -5.834) 14.823 9.716 ( -13.627 0.000 5.834) 14.823 10.193 ( -10.862 0.000 -23.321) 25.727 10.193 ( -10.862 0.000 23.321) 25.727 10.731 ( -9.092 0.000 -0.579) 9.110 10.731 ( -9.092 0.000 0.579) 9.110 10.824 ( -16.215 0.000 -13.776) 21.277 10.824 ( -16.215 0.000 13.776) 21.277 11.233 ( 3.437 0.000 -4.572) 5.720 11.233 ( 3.437 0.000 4.572) 5.720 11.469 ( 11.441 0.000 -5.509) 12.698 11.469 ( 11.441 0.000 5.509) 12.698 11.682 ( 15.228 0.000 -19.985) 25.125 11.682 ( 15.228 0.000 19.985) 25.125 12.161 ( 7.541 0.000 -0.049) 7.542 12.161 ( 7.541 0.000 0.049) 7.542 12.597 ( -2.616 0.000 -17.656) 17.849 12.597 ( -2.616 0.000 17.656) 17.849 12.784 ( -0.537 0.000 -4.499) 4.531 12.784 ( -0.537 0.000 4.499) 4.531 13.330 ( 7.365 0.000 -4.286) 8.521 13.330 ( 7.365 0.000 4.286) 8.521 13.640 ( 2.131 0.000 -5.672) 6.059 13.640 ( 2.131 0.000 5.672) 6.059 14.033 ( -0.591 0.000 -0.284) 0.656 14.033 ( -0.591 0.000 0.284) 0.656 14.579 ( 1.415 0.000 -2.308) 2.707 14.579 ( 1.415 0.000 2.308) 2.707 15.439 ( 3.450 0.000 -0.726) 3.526 15.439 ( 3.450 0.000 0.726) 3.526 15.886 ( 0.781 0.000 -4.630) 4.696 15.886 ( 0.781 0.000 4.630) 4.696 16.282 ( -5.389 0.000 -1.601) 5.622 16.282 ( -5.389 0.000 1.601) 5.622 16.777 ( -3.283 0.000 -0.704) 3.358 16.777 ( -3.283 0.000 0.704) 3.358 17.197 ( -2.459 0.000 -0.002) 2.459 17.197 ( -2.459 0.000 0.002) 2.459 17.353 ( -5.615 0.000 -1.754) 5.883 17.353 ( -5.615 0.000 1.754) 5.883 17.537 ( -13.429 0.000 -3.283) 13.825 17.537 ( -13.429 0.000 3.283) 13.825 17.704 ( -8.999 0.000 -0.477) 9.012 17.704 ( -8.999 0.000 0.477) 9.012 17.924 ( -0.614 0.000 -0.418) 0.742 17.924 ( -0.614 0.000 0.418) 0.742 18.126 ( -2.206 0.000 -0.056) 2.207 18.126 ( -2.206 0.000 0.056) 2.207 18.253 ( -0.667 0.000 -1.224) 1.393 18.253 ( -0.667 0.000 1.224) 1.393 18.582 ( -2.125 0.000 -4.162) 4.673 18.582 ( -2.125 0.000 4.162) 4.673 18.904 ( -5.839 0.000 -7.136) 9.220 18.904 ( -5.839 0.000 7.136) 9.220 19.114 ( -0.671 0.000 -12.687) 12.704 19.114 ( -0.671 0.000 12.687) 12.704 19.167 ( 2.116 0.000 -2.611) 3.361 19.167 ( 2.116 0.000 2.611) 3.361 19.305 ( -1.030 0.000 -0.153) 1.041 19.305 ( -1.030 0.000 0.153) 1.041 19.537 ( 6.092 0.000 -0.044) 6.092 19.537 ( 6.092 0.000 0.044) 6.092 19.709 ( 11.249 0.000 -4.536) 12.129 19.709 ( 11.249 0.000 4.536) 12.129 20.023 ( -8.798 0.000 -10.216) 13.482 20.023 ( -8.798 0.000 10.216) 13.482 20.377 ( 3.576 0.000 -0.135) 3.578 20.377 ( 3.576 0.000 0.135) 3.578 20.909 ( 11.033 0.000 -0.018) 11.033 20.909 ( 11.033 0.000 0.018) 11.033 21.232 ( -6.571 0.000 -1.564) 6.754 21.232 ( -6.571 0.000 1.564) 6.754 21.451 ( 1.464 0.000 -10.749) 10.848 21.451 ( 1.464 0.000 10.749) 10.848 21.588 ( 15.467 0.000 -4.689) 16.162 21.588 ( 15.467 0.000 4.689) 16.162 22.199 ( -11.927 0.000 -2.103) 12.111 22.199 ( -11.927 0.000 2.103) 12.111 22.371 ( -3.201 0.000 -1.198) 3.417 22.371 ( -3.201 0.000 1.198) 3.417 22.474 ( -0.335 0.000 -3.919) 3.933 22.474 ( -0.335 0.000 3.919) 3.933 22.596 ( 6.313 0.000 -1.093) 6.407 22.596 ( 6.313 0.000 1.093) 6.407 22.726 ( 1.118 0.000 -4.417) 4.556 22.726 ( 1.118 0.000 4.417) 4.556 23.052 ( -0.518 0.000 -0.018) 0.518 23.052 ( -0.518 0.000 0.018) 0.518 23.092 ( 3.125 0.000 -0.018) 3.125 23.092 ( 3.125 0.000 0.018) 3.125 23.417 ( -2.590 0.000 -0.182) 2.596 23.417 ( -2.590 0.000 0.182) 2.596 23.643 ( 1.626 0.000 -0.916) 1.866 23.643 ( 1.626 0.000 0.916) 1.866 23.806 ( -2.795 0.000 -0.094) 2.797 23.806 ( -2.795 0.000 0.094) 2.797 24.074 ( 0.379 0.000 -0.227) 0.442 24.074 ( 0.379 0.000 0.227) 0.442 24.158 ( 0.077 0.000 -1.485) 1.487 24.158 ( 0.077 0.000 1.485) 1.487 24.339 ( -3.372 0.000 -1.006) 3.519 24.339 ( -3.372 0.000 1.006) 3.519 24.656 ( 4.360 0.000 -1.942) 4.773 24.656 ( 4.360 0.000 1.942) 4.773 24.992 ( 6.641 0.000 -8.752) 10.987 24.992 ( 6.641 0.000 8.752) 10.987 25.355 ( 4.332 0.000 -2.412) 4.959 25.355 ( 4.332 0.000 2.412) 4.959 25.664 ( -2.338 0.000 -1.057) 2.566 25.664 ( -2.338 0.000 1.057) 2.566 25.852 ( -4.357 0.000 -0.993) 4.469 25.852 ( -4.357 0.000 0.993) 4.469 26.121 ( 7.228 0.000 -1.373) 7.358 26.121 ( 7.228 0.000 1.373) 7.358 26.479 ( -3.053 0.000 -1.913) 3.603 26.479 ( -3.053 0.000 1.913) 3.603 26.548 ( 0.630 0.000 -0.611) 0.877 26.548 ( 0.630 0.000 0.611) 0.877 27.055 ( -5.520 0.000 -0.798) 5.578 27.055 ( -5.520 0.000 0.798) 5.578 27.177 ( -8.435 0.000 -0.030) 8.435 27.177 ( -8.435 0.000 0.030) 8.435 27.402 ( 1.461 0.000 -0.500) 1.544 27.402 ( 1.461 0.000 0.500) 1.544 27.503 ( 7.786 0.000 -3.111) 8.384 27.503 ( 7.786 0.000 3.111) 8.384 28.102 ( -5.447 0.000 -1.185) 5.574 28.102 ( -5.447 0.000 1.185) 5.574 28.593 ( 3.092 0.000 -0.026) 3.092 28.593 ( 3.092 0.000 0.026) 3.092 28.765 ( -0.809 0.000 -0.513) 0.958 28.765 ( -0.809 0.000 0.513) 0.958 29.305 ( 0.991 0.000 -1.248) 1.594 29.305 ( 0.991 0.000 1.248) 1.594 29.889 ( -2.528 0.000 -0.008) 2.528 29.889 ( -2.528 0.000 0.008) 2.528 30.006 ( 1.546 0.000 -1.836) 2.400 30.006 ( 1.546 0.000 1.836) 2.400 30.062 ( 1.451 0.000 -1.330) 1.968 30.062 ( 1.451 0.000 1.330) 1.968 30.146 ( -1.742 0.000 -2.494) 3.042 30.146 ( -1.742 0.000 2.494) 3.042 30.474 ( -0.264 0.000 -0.674) 0.724 30.474 ( -0.264 0.000 0.674) 0.724 30.526 ( 1.231 0.000 -0.041) 1.232 30.526 ( 1.231 0.000 0.041) 1.232 30.560 ( 0.075 0.000 -0.008) 0.076 30.560 ( 0.075 0.000 0.008) 0.076 33.705 ( 0.057 0.000 -0.005) 0.057 33.705 ( 0.057 0.000 0.005) 0.057 33.749 ( -0.131 0.000 -1.156) 1.164 33.749 ( -0.131 0.000 1.156) 1.164 ======================= Grid point 249 (53/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( 3.499 0.000 -0.227) 3.507 3.609 ( 3.499 0.000 0.227) 3.507 5.572 ( 1.367 0.000 -0.770) 1.569 5.572 ( 1.367 0.000 0.770) 1.569 6.402 ( -6.728 0.000 -2.767) 7.275 6.402 ( -6.728 0.000 2.767) 7.275 8.221 ( 23.453 0.000 -37.865) 44.540 8.221 ( 23.453 0.000 37.865) 44.540 8.434 ( 25.134 0.000 -28.909) 38.307 8.434 ( 25.134 0.000 28.909) 38.307 9.369 ( -21.868 0.000 -16.402) 27.335 9.369 ( -21.868 0.000 16.402) 27.335 9.865 ( -22.585 0.000 -15.032) 27.130 9.865 ( -22.585 0.000 15.032) 27.130 10.452 ( -11.459 0.000 -0.697) 11.481 10.452 ( -11.459 0.000 0.697) 11.481 10.802 ( 4.113 0.000 -2.211) 4.669 10.802 ( 4.113 0.000 2.211) 4.669 11.257 ( 0.662 0.000 -0.038) 0.663 11.257 ( 0.662 0.000 0.038) 0.663 11.677 ( 9.663 0.000 -9.364) 13.456 11.677 ( 9.663 0.000 9.364) 13.456 11.910 ( 7.514 0.000 -0.132) 7.515 11.910 ( 7.514 0.000 0.132) 7.515 12.305 ( 4.499 0.000 -6.882) 8.223 12.305 ( 4.499 0.000 6.882) 8.223 12.562 ( -2.139 0.000 -12.981) 13.156 12.562 ( -2.139 0.000 12.981) 13.156 12.810 ( 6.400 0.000 -14.142) 15.523 12.810 ( 6.400 0.000 14.142) 15.523 13.339 ( -3.237 0.000 -0.948) 3.373 13.339 ( -3.237 0.000 0.948) 3.373 13.787 ( 7.671 0.000 -4.240) 8.765 13.787 ( 7.671 0.000 4.240) 8.765 14.051 ( 3.185 0.000 -0.391) 3.209 14.051 ( 3.185 0.000 0.391) 3.209 14.609 ( 1.876 0.000 -1.261) 2.261 14.609 ( 1.876 0.000 1.261) 2.261 15.454 ( -2.712 0.000 -1.939) 3.334 15.454 ( -2.712 0.000 1.939) 3.334 15.916 ( 2.450 0.000 -0.333) 2.473 15.916 ( 2.450 0.000 0.333) 2.473 16.160 ( -6.180 0.000 -6.195) 8.751 16.160 ( -6.180 0.000 6.195) 8.751 16.617 ( -13.901 0.000 -0.348) 13.905 16.617 ( -13.901 0.000 0.348) 13.905 17.104 ( -4.304 0.000 -2.912) 5.197 17.104 ( -4.304 0.000 2.912) 5.197 17.224 ( -1.297 0.000 -0.205) 1.313 17.224 ( -1.297 0.000 0.205) 1.313 17.458 ( 0.117 0.000 -1.375) 1.380 17.458 ( 0.117 0.000 1.375) 1.380 17.584 ( -5.484 0.000 -0.723) 5.532 17.584 ( -5.484 0.000 0.723) 5.532 17.863 ( -5.536 0.000 -4.305) 7.013 17.863 ( -5.536 0.000 4.305) 7.013 18.056 ( -1.671 0.000 -0.232) 1.687 18.056 ( -1.671 0.000 0.232) 1.687 18.283 ( 2.741 0.000 -1.083) 2.947 18.283 ( 2.741 0.000 1.083) 2.947 18.560 ( -2.344 0.000 -1.105) 2.592 18.560 ( -2.344 0.000 1.105) 2.592 18.782 ( -4.258 0.000 -3.440) 5.473 18.782 ( -4.258 0.000 3.440) 5.473 19.054 ( -3.793 0.000 -6.021) 7.116 19.054 ( -3.793 0.000 6.021) 7.116 19.185 ( -2.582 0.000 -0.008) 2.582 19.185 ( -2.582 0.000 0.008) 2.582 19.309 ( 2.456 0.000 -3.893) 4.603 19.309 ( 2.456 0.000 3.893) 4.603 19.602 ( 0.907 0.000 -2.838) 2.980 19.602 ( 0.907 0.000 2.838) 2.980 19.783 ( -1.719 0.000 -3.429) 3.835 19.783 ( -1.719 0.000 3.429) 3.835 20.050 ( 7.625 0.000 -2.311) 7.968 20.050 ( 7.625 0.000 2.311) 7.968 20.554 ( 13.769 0.000 -1.064) 13.810 20.554 ( 13.769 0.000 1.064) 13.810 20.987 ( -0.074 0.000 -8.177) 8.177 20.987 ( -0.074 0.000 8.177) 8.177 21.144 ( -3.268 0.000 -2.423) 4.068 21.144 ( -3.268 0.000 2.423) 4.068 21.411 ( -5.471 0.000 -12.085) 13.265 21.411 ( -5.471 0.000 12.085) 13.265 21.921 ( 11.504 0.000 -5.288) 12.661 21.921 ( 11.504 0.000 5.288) 12.661 22.006 ( -3.603 0.000 -2.572) 4.427 22.006 ( -3.603 0.000 2.572) 4.427 22.327 ( -0.994 0.000 -2.279) 2.486 22.327 ( -0.994 0.000 2.279) 2.486 22.488 ( 2.541 0.000 -4.784) 5.417 22.488 ( 2.541 0.000 4.784) 5.417 22.671 ( 1.963 0.000 -0.623) 2.059 22.671 ( 1.963 0.000 0.623) 2.059 22.754 ( 1.455 0.000 -2.635) 3.010 22.754 ( 1.455 0.000 2.635) 3.010 23.044 ( -0.057 0.000 -0.014) 0.058 23.044 ( -0.057 0.000 0.014) 0.058 23.148 ( 1.426 0.000 -0.566) 1.534 23.148 ( 1.426 0.000 0.566) 1.534 23.365 ( -2.167 0.000 -0.452) 2.214 23.365 ( -2.167 0.000 0.452) 2.214 23.607 ( -5.109 0.000 -1.246) 5.259 23.607 ( -5.109 0.000 1.246) 5.259 23.799 ( 1.937 0.000 -0.000) 1.937 23.799 ( 1.937 0.000 0.000) 1.937 24.074 ( -0.568 0.000 -1.643) 1.739 24.074 ( -0.568 0.000 1.643) 1.739 24.151 ( -0.656 0.000 -1.183) 1.353 24.151 ( -0.656 0.000 1.183) 1.353 24.298 ( -0.925 0.000 -1.604) 1.852 24.298 ( -0.925 0.000 1.604) 1.852 24.732 ( 3.202 0.000 -0.601) 3.258 24.732 ( 3.202 0.000 0.601) 3.258 25.106 ( 4.771 0.000 -4.955) 6.879 25.106 ( 4.771 0.000 4.955) 6.879 25.484 ( 7.968 0.000 -0.483) 7.982 25.484 ( 7.968 0.000 0.483) 7.982 25.589 ( -4.618 0.000 -2.904) 5.456 25.589 ( -4.618 0.000 2.904) 5.456 25.827 ( 1.195 0.000 -0.016) 1.195 25.827 ( 1.195 0.000 0.016) 1.195 26.230 ( 4.129 0.000 -0.002) 4.129 26.230 ( 4.129 0.000 0.002) 4.129 26.407 ( -4.493 0.000 -2.771) 5.279 26.407 ( -4.493 0.000 2.771) 5.279 26.551 ( -0.175 0.000 -0.251) 0.306 26.551 ( -0.175 0.000 0.251) 0.306 26.956 ( -4.196 0.000 -1.032) 4.321 26.956 ( -4.196 0.000 1.032) 4.321 27.035 ( -6.124 0.000 -0.061) 6.124 27.035 ( -6.124 0.000 0.061) 6.124 27.420 ( 0.481 0.000 -0.024) 0.481 27.420 ( 0.481 0.000 0.024) 0.481 27.630 ( 5.373 0.000 -1.495) 5.577 27.630 ( 5.373 0.000 1.495) 5.577 28.004 ( -4.278 0.000 -0.713) 4.337 28.004 ( -4.278 0.000 0.713) 4.337 28.609 ( -1.142 0.000 -0.076) 1.145 28.609 ( -1.142 0.000 0.076) 1.145 28.781 ( 2.178 0.000 -0.553) 2.248 28.781 ( 2.178 0.000 0.553) 2.248 29.321 ( 0.576 0.000 -0.681) 0.892 29.321 ( 0.576 0.000 0.681) 0.892 29.854 ( -1.095 0.000 -0.016) 1.095 29.854 ( -1.095 0.000 0.016) 1.095 30.021 ( 0.447 0.000 -1.061) 1.151 30.021 ( 0.447 0.000 1.061) 1.151 30.082 ( -0.575 0.000 -1.927) 2.011 30.082 ( -0.575 0.000 1.927) 2.011 30.123 ( 0.319 0.000 -0.180) 0.366 30.123 ( 0.319 0.000 0.180) 0.366 30.477 ( 0.464 0.000 -0.665) 0.811 30.477 ( 0.464 0.000 0.665) 0.811 30.524 ( -0.871 0.000 -0.140) 0.882 30.524 ( -0.871 0.000 0.140) 0.882 30.578 ( 1.212 0.000 -0.001) 1.212 30.578 ( 1.212 0.000 0.001) 1.212 33.706 ( 0.065 0.000 -0.014) 0.067 33.706 ( 0.065 0.000 0.014) 0.067 33.746 ( -0.138 0.000 -0.687) 0.700 33.746 ( -0.138 0.000 0.687) 0.700 ======================= Grid point 251 (54/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.644 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 6.338 ( 0.000 0.000 0.000) 0.000 8.560 ( -0.000 0.000 0.000) 0.000 8.560 ( -0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.079 ( 0.000 0.000 0.000) 0.000 9.555 ( 0.000 0.000 -0.000) 0.000 9.555 ( 0.000 0.000 -0.000) 0.000 10.354 ( 0.000 0.000 -0.000) 0.000 10.354 ( 0.000 0.000 -0.000) 0.000 10.849 ( 0.000 0.000 0.000) 0.000 10.849 ( 0.000 0.000 0.000) 0.000 11.265 ( -0.000 0.000 0.000) 0.000 11.265 ( -0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.785 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 12.319 ( 0.000 0.000 0.000) 0.000 12.319 ( 0.000 0.000 0.000) 0.000 12.534 ( -0.000 0.000 -0.000) 0.000 12.534 ( -0.000 0.000 -0.000) 0.000 12.924 ( 0.000 0.000 0.000) 0.000 12.924 ( 0.000 0.000 0.000) 0.000 13.302 ( 0.000 0.000 0.000) 0.000 13.302 ( 0.000 0.000 0.000) 0.000 13.845 ( 0.000 0.000 0.000) 0.000 13.845 ( 0.000 0.000 0.000) 0.000 14.092 ( 0.000 0.000 0.000) 0.000 14.092 ( 0.000 0.000 0.000) 0.000 14.643 ( 0.000 0.000 0.000) 0.000 14.643 ( 0.000 0.000 0.000) 0.000 15.396 ( 0.000 0.000 0.000) 0.000 15.396 ( 0.000 0.000 0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 15.957 ( 0.000 0.000 0.000) 0.000 16.097 ( 0.000 0.000 0.000) 0.000 16.097 ( 0.000 0.000 0.000) 0.000 16.441 ( 0.000 0.000 0.000) 0.000 16.441 ( 0.000 0.000 0.000) 0.000 17.069 ( 0.000 0.000 0.000) 0.000 17.069 ( 0.000 0.000 0.000) 0.000 17.264 ( 0.000 0.000 0.000) 0.000 17.264 ( 0.000 0.000 0.000) 0.000 17.414 ( -0.000 0.000 0.000) 0.000 17.414 ( -0.000 0.000 0.000) 0.000 17.547 ( 0.000 0.000 0.000) 0.000 17.547 ( 0.000 0.000 0.000) 0.000 17.800 ( 0.000 0.000 0.000) 0.000 17.800 ( 0.000 0.000 0.000) 0.000 18.048 ( 0.000 0.000 0.000) 0.000 18.048 ( 0.000 0.000 0.000) 0.000 18.319 ( 0.000 0.000 0.000) 0.000 18.319 ( 0.000 0.000 0.000) 0.000 18.515 ( 0.000 0.000 0.000) 0.000 18.515 ( 0.000 0.000 0.000) 0.000 18.754 ( 0.000 0.000 0.000) 0.000 18.754 ( 0.000 0.000 0.000) 0.000 19.011 ( 0.000 0.000 0.000) 0.000 19.011 ( 0.000 0.000 0.000) 0.000 19.151 ( 0.000 0.000 0.000) 0.000 19.151 ( 0.000 0.000 0.000) 0.000 19.335 ( 0.000 0.000 0.000) 0.000 19.335 ( 0.000 0.000 0.000) 0.000 19.605 ( 0.000 0.000 0.000) 0.000 19.605 ( 0.000 0.000 0.000) 0.000 19.770 ( 0.000 0.000 0.000) 0.000 19.770 ( 0.000 0.000 0.000) 0.000 20.121 ( 0.000 0.000 0.000) 0.000 20.121 ( 0.000 0.000 0.000) 0.000 20.752 ( 0.000 0.000 0.000) 0.000 20.752 ( 0.000 0.000 0.000) 0.000 20.962 ( 0.000 0.000 0.000) 0.000 20.962 ( 0.000 0.000 0.000) 0.000 21.108 ( 0.000 0.000 0.000) 0.000 21.108 ( 0.000 0.000 0.000) 0.000 21.328 ( 0.000 0.000 -0.000) 0.000 21.328 ( 0.000 0.000 -0.000) 0.000 21.891 ( 0.000 0.000 0.000) 0.000 21.891 ( 0.000 0.000 0.000) 0.000 22.106 ( 0.000 0.000 0.000) 0.000 22.106 ( 0.000 0.000 0.000) 0.000 22.325 ( -0.000 0.000 0.000) 0.000 22.325 ( -0.000 0.000 0.000) 0.000 22.542 ( 0.000 0.000 0.000) 0.000 22.542 ( 0.000 0.000 0.000) 0.000 22.686 ( 0.000 0.000 0.000) 0.000 22.686 ( 0.000 0.000 0.000) 0.000 22.766 ( 0.000 0.000 -0.000) 0.000 22.766 ( 0.000 0.000 -0.000) 0.000 23.047 ( 0.000 0.000 0.000) 0.000 23.047 ( 0.000 0.000 0.000) 0.000 23.142 ( 0.000 0.000 0.000) 0.000 23.142 ( 0.000 0.000 0.000) 0.000 23.354 ( 0.000 0.000 0.000) 0.000 23.354 ( 0.000 0.000 0.000) 0.000 23.540 ( 0.000 0.000 0.000) 0.000 23.540 ( 0.000 0.000 0.000) 0.000 23.825 ( 0.000 0.000 0.000) 0.000 23.825 ( 0.000 0.000 0.000) 0.000 24.064 ( -0.000 0.000 0.000) 0.000 24.064 ( -0.000 0.000 0.000) 0.000 24.145 ( 0.000 0.000 0.000) 0.000 24.145 ( 0.000 0.000 0.000) 0.000 24.292 ( 0.000 0.000 0.000) 0.000 24.292 ( 0.000 0.000 0.000) 0.000 24.763 ( 0.000 0.000 0.000) 0.000 24.763 ( 0.000 0.000 0.000) 0.000 25.156 ( 0.000 0.000 0.000) 0.000 25.156 ( 0.000 0.000 0.000) 0.000 25.530 ( 0.000 0.000 0.000) 0.000 25.530 ( 0.000 0.000 0.000) 0.000 25.578 ( 0.000 0.000 0.000) 0.000 25.578 ( 0.000 0.000 0.000) 0.000 25.854 ( 0.000 0.000 0.000) 0.000 25.854 ( 0.000 0.000 0.000) 0.000 26.270 ( -0.000 0.000 0.000) 0.000 26.270 ( -0.000 0.000 0.000) 0.000 26.348 ( 0.000 0.000 0.000) 0.000 26.348 ( 0.000 0.000 0.000) 0.000 26.548 ( 0.000 0.000 0.000) 0.000 26.548 ( 0.000 0.000 0.000) 0.000 26.916 ( 0.000 0.000 0.000) 0.000 26.916 ( 0.000 0.000 0.000) 0.000 26.974 ( 0.000 0.000 0.000) 0.000 26.974 ( 0.000 0.000 0.000) 0.000 27.423 ( 0.000 0.000 0.000) 0.000 27.423 ( 0.000 0.000 0.000) 0.000 27.684 ( 0.000 0.000 0.000) 0.000 27.684 ( 0.000 0.000 0.000) 0.000 27.962 ( 0.000 0.000 0.000) 0.000 27.962 ( 0.000 0.000 0.000) 0.000 28.592 ( 0.000 0.000 0.000) 0.000 28.592 ( 0.000 0.000 0.000) 0.000 28.807 ( 0.000 0.000 0.000) 0.000 28.807 ( 0.000 0.000 0.000) 0.000 29.326 ( 0.000 0.000 0.000) 0.000 29.326 ( 0.000 0.000 0.000) 0.000 29.845 ( 0.000 0.000 -0.000) 0.000 29.845 ( 0.000 0.000 -0.000) 0.000 30.027 ( 0.000 0.000 0.000) 0.000 30.027 ( 0.000 0.000 0.000) 0.000 30.066 ( -0.000 0.000 -0.000) 0.000 30.066 ( -0.000 0.000 -0.000) 0.000 30.134 ( 0.000 0.000 0.000) 0.000 30.134 ( 0.000 0.000 0.000) 0.000 30.484 ( 0.000 0.000 0.000) 0.000 30.484 ( 0.000 0.000 0.000) 0.000 30.512 ( 0.000 0.000 0.000) 0.000 30.512 ( 0.000 0.000 0.000) 0.000 30.590 ( 0.000 0.000 0.000) 0.000 30.590 ( 0.000 0.000 0.000) 0.000 33.707 ( 0.000 0.000 0.000) 0.000 33.707 ( 0.000 0.000 0.000) 0.000 33.744 ( 0.000 0.000 0.000) 0.000 33.744 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 261 (55/60) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( 2.130 2.130 0.000) 3.013 3.598 ( 4.435 4.435 0.000) 6.272 5.537 ( 0.300 0.300 0.000) 0.425 5.587 ( 3.176 3.176 0.000) 4.491 6.449 ( -7.525 -7.525 0.000) 10.642 6.547 ( -5.566 -5.566 0.000) 7.871 7.813 ( 9.451 9.451 0.000) 13.366 8.000 ( 7.560 7.560 0.000) 10.692 8.196 ( 24.720 24.720 0.000) 34.959 8.232 ( 18.326 18.326 -0.000) 25.917 9.524 ( -13.705 -13.705 0.000) 19.382 9.749 ( -4.996 -4.996 0.000) 7.065 10.100 ( -6.449 -6.449 0.000) 9.120 10.258 ( -6.073 -6.073 -0.000) 8.589 10.328 ( -15.118 -15.118 0.000) 21.380 10.530 ( -11.512 -11.512 0.000) 16.280 10.868 ( -5.435 -5.435 -0.000) 7.686 10.966 ( -4.335 -4.335 0.000) 6.131 11.163 ( -2.565 -2.565 0.000) 3.628 11.243 ( -4.370 -4.370 0.000) 6.181 11.388 ( 10.047 10.047 0.000) 14.209 11.514 ( 3.223 3.223 0.000) 4.559 11.790 ( 11.458 11.458 0.000) 16.204 11.932 ( 12.414 12.414 0.000) 17.557 12.173 ( 2.764 2.764 0.000) 3.909 12.296 ( 11.473 11.473 0.000) 16.226 12.475 ( -1.981 -1.981 0.000) 2.802 12.622 ( -3.842 -3.842 0.000) 5.434 12.694 ( 1.284 1.284 -0.000) 1.815 13.025 ( 9.105 9.105 0.000) 12.876 13.396 ( 5.431 5.431 0.000) 7.681 13.428 ( 8.080 8.080 0.000) 11.427 13.478 ( -6.800 -6.800 -0.000) 9.617 13.678 ( 1.648 1.648 0.000) 2.330 13.921 ( -5.152 -5.152 0.000) 7.287 14.205 ( 9.913 9.913 0.000) 14.019 14.533 ( 0.157 0.157 0.000) 0.223 14.695 ( 5.751 5.751 0.000) 8.133 15.334 ( -0.661 -0.661 0.000) 0.935 15.639 ( 7.734 7.734 0.000) 10.938 15.782 ( -4.646 -4.646 0.000) 6.570 15.934 ( 0.521 0.521 0.000) 0.737 16.211 ( -2.533 -2.533 0.000) 3.583 16.364 ( 2.347 2.347 0.000) 3.319 16.704 ( -5.330 -5.330 0.000) 7.538 16.753 ( -4.472 -4.472 0.000) 6.325 17.047 ( -15.253 -15.253 0.000) 21.572 17.234 ( 0.008 0.008 0.000) 0.012 17.308 ( -5.158 -5.158 0.000) 7.295 17.322 ( -9.398 -9.398 0.000) 13.291 17.369 ( -0.091 -0.091 -0.000) 0.129 17.551 ( -5.826 -5.826 0.000) 8.239 17.569 ( -9.355 -9.355 0.000) 13.230 17.703 ( -7.675 -7.675 0.000) 10.854 17.815 ( -6.548 -6.548 0.000) 9.260 17.898 ( -0.444 -0.444 0.000) 0.628 17.930 ( -6.459 -6.459 0.000) 9.135 18.169 ( -4.048 -4.048 0.000) 5.724 18.207 ( -0.819 -0.819 0.000) 1.158 18.261 ( -2.775 -2.775 0.000) 3.924 18.393 ( -1.178 -1.178 0.000) 1.666 18.811 ( -1.957 -1.957 0.000) 2.768 18.812 ( -5.790 -5.790 -0.000) 8.189 18.934 ( 1.596 1.596 0.000) 2.258 19.036 ( -3.621 -3.621 0.000) 5.121 19.099 ( -0.468 -0.468 0.000) 0.661 19.143 ( -3.106 -3.106 0.000) 4.393 19.198 ( 0.134 0.134 0.000) 0.190 19.288 ( -0.153 -0.153 0.000) 0.216 19.353 ( -4.729 -4.729 0.000) 6.687 19.501 ( 0.079 0.079 0.000) 0.112 19.516 ( 8.318 8.318 0.000) 11.763 19.695 ( -15.362 -15.362 0.000) 21.725 19.740 ( 9.232 9.232 0.000) 13.055 20.056 ( 19.164 19.164 0.000) 27.102 20.163 ( 0.225 0.225 0.000) 0.318 20.214 ( 1.736 1.736 0.000) 2.455 20.685 ( 2.569 2.569 0.000) 3.633 20.747 ( 7.870 7.870 0.000) 11.130 21.052 ( -6.737 -6.737 0.000) 9.528 21.269 ( 14.471 14.471 0.000) 20.464 21.286 ( -0.204 -0.204 -0.000) 0.288 21.518 ( 7.310 7.310 0.000) 10.338 21.520 ( 5.525 5.525 -0.000) 7.814 21.645 ( 8.108 8.108 0.000) 11.467 21.717 ( 11.890 11.890 0.000) 16.814 22.018 ( -11.754 -11.754 0.000) 16.623 22.254 ( -3.759 -3.759 -0.000) 5.316 22.254 ( -4.150 -4.150 0.000) 5.870 22.392 ( 0.389 0.389 0.000) 0.550 22.467 ( -2.475 -2.475 0.000) 3.500 22.514 ( -0.113 -0.113 -0.000) 0.160 22.536 ( 0.816 0.816 0.000) 1.154 22.641 ( 3.403 3.403 0.000) 4.812 22.709 ( -0.933 -0.933 0.000) 1.319 22.759 ( 1.387 1.387 -0.000) 1.961 23.013 ( -1.217 -1.217 0.000) 1.720 23.042 ( -0.493 -0.493 0.000) 0.697 23.147 ( 4.222 4.222 0.000) 5.970 23.150 ( 2.980 2.980 -0.000) 4.214 23.293 ( -5.496 -5.496 0.000) 7.772 23.514 ( 0.143 0.143 0.000) 0.202 23.533 ( -4.375 -4.375 -0.000) 6.188 23.734 ( -2.101 -2.101 0.000) 2.972 23.746 ( 4.569 4.569 0.000) 6.461 23.848 ( 0.059 0.059 0.000) 0.083 24.041 ( -0.529 -0.529 0.000) 0.748 24.101 ( 0.330 0.330 0.000) 0.467 24.125 ( -1.960 -1.960 0.000) 2.771 24.184 ( 1.111 1.111 0.000) 1.571 24.305 ( -1.998 -1.998 -0.000) 2.826 24.344 ( -0.596 -0.596 0.000) 0.843 24.604 ( -0.098 -0.098 0.000) 0.139 24.772 ( 5.820 5.820 0.000) 8.231 24.970 ( 1.840 1.840 0.000) 2.602 25.105 ( 6.779 6.779 0.000) 9.587 25.351 ( 1.866 1.866 0.000) 2.638 25.443 ( 7.443 7.443 0.000) 10.525 25.630 ( -1.971 -1.971 0.000) 2.787 25.683 ( -7.142 -7.142 0.000) 10.101 25.704 ( 0.895 0.895 0.000) 1.266 26.015 ( 2.538 2.538 0.000) 3.590 26.032 ( 1.770 1.770 0.000) 2.503 26.221 ( 4.760 4.760 0.000) 6.732 26.413 ( -4.290 -4.290 0.000) 6.067 26.502 ( -1.312 -1.312 0.000) 1.856 26.533 ( 0.844 0.844 -0.000) 1.193 26.563 ( 0.239 0.239 0.000) 0.338 26.946 ( -6.160 -6.160 0.000) 8.711 27.019 ( -8.159 -8.159 0.000) 11.539 27.101 ( -0.940 -0.940 0.000) 1.329 27.238 ( -5.850 -5.850 0.000) 8.273 27.334 ( -0.806 -0.806 -0.000) 1.140 27.339 ( -1.260 -1.260 0.000) 1.782 27.570 ( 7.014 7.014 0.000) 9.920 27.641 ( 7.910 7.910 0.000) 11.186 27.983 ( -6.609 -6.609 0.000) 9.346 28.152 ( -0.542 -0.542 0.000) 0.766 28.541 ( -0.296 -0.296 0.000) 0.419 28.690 ( 3.905 3.905 0.000) 5.522 28.728 ( -2.046 -2.046 0.000) 2.894 28.754 ( -1.796 -1.796 0.000) 2.540 29.303 ( 1.074 1.074 0.000) 1.519 29.340 ( 2.239 2.239 0.000) 3.166 29.850 ( -2.255 -2.255 0.000) 3.190 29.872 ( -2.149 -2.149 0.000) 3.039 30.018 ( -1.777 -1.777 -0.000) 2.513 30.025 ( 2.601 2.601 0.000) 3.678 30.060 ( 1.068 1.068 0.000) 1.511 30.082 ( -2.176 -2.176 -0.000) 3.078 30.088 ( 1.320 1.320 0.000) 1.867 30.189 ( 1.292 1.292 0.000) 1.827 30.440 ( -1.303 -1.303 0.000) 1.843 30.483 ( -0.351 -0.351 0.000) 0.497 30.534 ( -1.527 -1.527 0.000) 2.160 30.542 ( 1.579 1.579 0.000) 2.233 30.554 ( 1.773 1.773 0.000) 2.508 30.574 ( 0.704 0.704 0.000) 0.995 33.703 ( -0.059 -0.059 0.000) 0.083 33.709 ( 0.218 0.218 0.000) 0.308 33.744 ( -0.285 -0.285 0.000) 0.402 33.750 ( -0.023 -0.023 0.000) 0.032 ======================= Grid point 263 (56/60) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( 2.800 0.543 0.000) 2.852 3.674 ( 3.175 3.840 0.000) 4.982 5.549 ( 0.728 -0.078 0.000) 0.732 5.652 ( 3.294 5.827 0.000) 6.694 6.327 ( -4.878 -4.364 0.000) 6.546 6.420 ( -6.401 -1.630 0.000) 6.605 8.109 ( 18.764 -1.386 0.000) 18.815 8.222 ( 16.384 -1.253 0.000) 16.432 8.627 ( 21.889 16.448 0.000) 27.380 8.704 ( 26.750 21.812 -0.000) 34.516 9.186 ( -22.011 -10.262 0.000) 24.286 9.543 ( -14.777 7.579 0.000) 16.607 9.824 ( -23.695 2.727 0.000) 23.851 9.939 ( -11.520 2.026 0.000) 11.697 10.224 ( -7.320 -12.422 0.000) 14.418 10.541 ( 8.421 -13.073 -0.000) 15.551 10.658 ( -11.460 4.782 0.000) 12.417 10.867 ( -4.563 -2.751 0.000) 5.328 11.126 ( -1.379 -4.031 0.000) 4.260 11.240 ( 3.051 -14.576 0.000) 14.892 11.480 ( 4.829 4.023 0.000) 6.285 11.721 ( 6.202 -8.339 0.000) 10.392 11.902 ( 1.961 2.929 0.000) 3.525 12.093 ( 6.499 7.160 0.000) 9.669 12.221 ( 3.117 -4.730 0.000) 5.665 12.464 ( -1.092 3.509 0.000) 3.675 12.546 ( 6.136 13.440 -0.000) 14.774 12.624 ( 6.662 6.540 0.000) 9.336 12.733 ( 4.516 -0.179 0.000) 4.520 13.114 ( 0.437 15.390 -0.000) 15.396 13.319 ( 0.046 5.262 0.000) 5.263 13.509 ( 2.893 9.758 0.000) 10.178 13.610 ( 6.536 -9.752 0.000) 11.740 13.810 ( 8.889 0.931 0.000) 8.937 13.844 ( -2.315 -7.904 0.000) 8.236 14.383 ( 8.606 18.220 0.000) 20.150 14.560 ( 2.073 -1.006 0.000) 2.304 14.748 ( -0.211 8.694 0.000) 8.697 15.381 ( 3.961 0.012 0.000) 3.961 15.598 ( -6.734 6.303 0.000) 9.223 15.801 ( 1.742 -8.165 0.000) 8.348 15.928 ( 0.048 -2.055 0.000) 2.055 16.191 ( -4.485 4.018 0.000) 6.022 16.232 ( -9.432 6.851 -0.000) 11.657 16.560 ( -13.828 -2.808 0.000) 14.110 16.642 ( -8.348 -1.498 0.000) 8.481 16.866 ( 1.801 -24.840 0.000) 24.905 17.016 ( -7.136 -4.118 0.000) 8.239 17.212 ( -2.872 4.280 0.000) 5.154 17.333 ( -4.836 0.179 0.000) 4.840 17.359 ( -2.033 -8.811 0.000) 9.043 17.423 ( 0.932 -8.105 0.000) 8.159 17.473 ( -2.221 -7.784 0.000) 8.094 17.543 ( -8.042 -6.085 0.000) 10.085 17.720 ( -2.962 -14.853 0.000) 15.146 17.832 ( -3.818 -1.422 0.000) 4.075 17.896 ( -3.305 -2.993 0.000) 4.459 18.104 ( -1.738 -6.243 0.000) 6.480 18.166 ( -2.732 -3.462 0.000) 4.411 18.274 ( 5.242 -4.424 0.000) 6.859 18.408 ( 1.064 -3.432 0.000) 3.593 18.649 ( -10.767 -4.486 0.000) 11.664 18.703 ( -8.091 -1.163 -0.000) 8.174 18.851 ( -3.472 -0.434 0.000) 3.499 18.980 ( -5.423 -4.133 0.000) 6.818 19.032 ( -3.573 -3.254 0.000) 4.833 19.148 ( 0.289 -10.178 -0.000) 10.182 19.155 ( -2.242 4.373 0.000) 4.914 19.259 ( -0.260 -3.633 0.000) 3.642 19.341 ( 0.761 -1.872 0.000) 2.021 19.515 ( -1.126 -8.823 -0.000) 8.895 19.578 ( 3.109 -5.246 0.000) 6.098 19.707 ( 7.362 1.898 0.000) 7.602 19.849 ( 1.932 13.076 0.000) 13.218 20.059 ( -2.538 12.733 0.000) 12.983 20.332 ( 6.818 -2.481 0.000) 7.255 20.465 ( 18.402 9.572 -0.000) 20.743 20.731 ( 1.130 1.176 0.000) 1.630 20.826 ( 4.188 -5.702 0.000) 7.074 21.002 ( 0.121 10.614 0.000) 10.615 21.270 ( -1.998 5.993 0.000) 6.317 21.445 ( 4.885 20.103 0.000) 20.688 21.468 ( -4.811 13.009 0.000) 13.870 21.637 ( -3.278 13.822 -0.000) 14.205 21.837 ( -4.890 -8.072 0.000) 9.438 21.894 ( 15.531 0.579 0.000) 15.542 22.020 ( 15.034 5.854 0.000) 16.134 22.098 ( -7.342 3.520 0.000) 8.142 22.247 ( 0.613 -4.751 0.000) 4.791 22.385 ( -2.534 -0.386 0.000) 2.563 22.417 ( 2.563 -0.043 0.000) 2.563 22.535 ( 0.222 -1.869 0.000) 1.883 22.610 ( 6.676 -1.416 0.000) 6.824 22.652 ( -3.707 -3.061 0.000) 4.807 22.709 ( 2.878 0.084 0.000) 2.879 22.799 ( 2.237 -0.796 0.000) 2.374 22.997 ( -0.156 -0.588 0.000) 0.608 23.045 ( -0.109 -2.922 0.000) 2.924 23.143 ( -2.894 -0.424 0.000) 2.925 23.206 ( -0.183 1.826 0.000) 1.836 23.252 ( 0.936 -2.297 0.000) 2.480 23.417 ( -4.821 -1.613 0.000) 5.084 23.464 ( -5.495 -6.465 -0.000) 8.485 23.734 ( -0.182 4.576 0.000) 4.579 23.815 ( 2.031 3.896 0.000) 4.393 23.831 ( 0.537 1.509 0.000) 1.602 24.049 ( 0.118 -0.821 0.000) 0.830 24.085 ( -1.007 -0.619 0.000) 1.183 24.107 ( 0.056 -1.856 -0.000) 1.857 24.191 ( -0.301 1.487 0.000) 1.517 24.278 ( -0.867 -0.237 0.000) 0.899 24.331 ( -0.517 1.550 -0.000) 1.634 24.630 ( 2.020 -3.960 0.000) 4.445 24.853 ( 2.931 5.929 0.000) 6.613 25.030 ( 3.445 -2.103 0.000) 4.037 25.212 ( 4.323 5.417 0.000) 6.931 25.426 ( 5.561 -2.042 0.000) 5.924 25.561 ( -4.152 -3.458 -0.000) 5.403 25.574 ( -1.118 1.628 0.000) 1.974 25.611 ( 4.872 5.807 -0.000) 7.580 25.731 ( 1.307 -1.674 0.000) 2.123 25.985 ( 1.048 8.132 0.000) 8.199 26.156 ( 5.105 -4.137 0.000) 6.571 26.288 ( 2.041 2.716 0.000) 3.398 26.326 ( -4.508 -4.874 0.000) 6.639 26.461 ( -2.323 2.211 0.000) 3.207 26.544 ( -1.323 0.262 0.000) 1.349 26.562 ( 0.759 0.253 0.000) 0.800 26.846 ( -4.004 -6.163 0.000) 7.349 26.889 ( -5.321 -7.213 0.000) 8.963 27.027 ( -4.418 1.761 0.000) 4.756 27.131 ( -6.145 -3.848 0.000) 7.251 27.233 ( -2.539 -1.599 0.000) 3.001 27.435 ( 3.951 -7.580 0.000) 8.548 27.672 ( 3.986 10.912 0.000) 11.618 27.789 ( 6.872 7.817 0.000) 10.409 27.879 ( -3.745 -6.505 0.000) 7.507 28.102 ( -3.730 3.890 0.000) 5.390 28.561 ( 1.425 -2.552 0.000) 2.923 28.645 ( -4.411 1.250 0.000) 4.584 28.715 ( -0.864 -3.856 0.000) 3.952 28.780 ( 2.649 -2.977 0.000) 3.985 29.333 ( 1.694 3.279 0.000) 3.690 29.381 ( 1.846 3.991 0.000) 4.398 29.794 ( -2.760 -2.404 0.000) 3.660 29.870 ( 1.319 -2.771 0.000) 3.069 29.964 ( -2.917 -1.932 0.000) 3.499 30.010 ( -2.946 -4.760 0.000) 5.597 30.089 ( 2.949 1.891 0.000) 3.503 30.095 ( 0.769 2.682 -0.000) 2.790 30.120 ( 1.425 1.477 0.000) 2.052 30.197 ( -0.079 3.768 0.000) 3.769 30.432 ( 0.382 -2.745 0.000) 2.771 30.474 ( -0.484 -0.986 0.000) 1.099 30.499 ( -1.952 -1.844 0.000) 2.686 30.563 ( 0.525 2.166 0.000) 2.229 30.582 ( 1.080 1.204 0.000) 1.618 30.595 ( 1.273 0.968 0.000) 1.599 33.703 ( 0.033 -0.113 0.000) 0.118 33.712 ( 0.132 0.364 0.000) 0.387 33.739 ( -0.186 -0.406 0.000) 0.447 33.748 ( -0.126 0.005 0.000) 0.126 ======================= Grid point 265 (57/60) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( 0.000 0.019 0.000) 0.019 3.704 ( 0.000 3.439 0.000) 3.439 5.557 ( 0.000 -0.106 0.000) 0.106 5.688 ( 0.000 7.469 0.000) 7.469 6.280 ( 0.000 -3.375 0.000) 3.375 6.354 ( 0.000 -1.157 0.000) 1.157 8.307 ( 0.000 -8.840 0.000) 8.840 8.585 ( 0.000 -4.828 0.000) 4.828 8.737 ( 0.000 -15.498 0.000) 15.498 8.901 ( 0.000 18.465 0.000) 18.465 9.094 ( -0.000 23.862 0.000) 23.862 9.328 ( 0.000 11.852 0.000) 11.852 9.563 ( 0.000 5.671 0.000) 5.671 9.746 ( 0.000 12.292 -0.000) 12.292 10.151 ( 0.000 -9.116 -0.000) 9.116 10.553 ( 0.000 4.877 0.000) 4.877 10.666 ( 0.000 -17.507 0.000) 17.507 10.788 ( -0.000 -2.520 0.000) 2.520 11.121 ( 0.000 -5.863 0.000) 5.863 11.279 ( 0.000 -8.852 0.000) 8.852 11.603 ( -0.000 -13.472 0.000) 13.472 11.653 ( 0.000 -2.189 0.000) 2.189 11.949 ( 0.000 -3.935 0.000) 3.935 12.152 ( 0.000 0.355 0.000) 0.355 12.282 ( 0.000 -0.071 0.000) 0.071 12.422 ( 0.000 11.049 0.000) 11.049 12.605 ( 0.000 8.992 0.000) 8.992 12.637 ( -0.000 5.736 0.000) 5.736 12.881 ( 0.000 5.152 0.000) 5.152 13.041 ( 0.000 7.211 0.000) 7.211 13.418 ( 0.000 12.886 0.000) 12.886 13.533 ( 0.000 19.419 -0.000) 19.419 13.672 ( 0.000 -10.891 0.000) 10.891 13.821 ( 0.000 -7.739 0.000) 7.739 13.884 ( 0.000 -2.990 -0.000) 2.990 14.464 ( 0.000 19.714 0.000) 19.714 14.598 ( -0.000 0.144 0.000) 0.144 14.736 ( 0.000 4.294 0.000) 4.294 15.453 ( 0.000 7.847 0.000) 7.847 15.468 ( 0.000 3.973 0.000) 3.973 15.887 ( -0.000 -7.076 0.000) 7.076 15.900 ( 0.000 -5.230 0.000) 5.230 16.014 ( 0.000 -2.581 0.000) 2.581 16.241 ( 0.000 7.231 0.000) 7.231 16.388 ( 0.000 -1.455 0.000) 1.455 16.495 ( 0.000 0.873 0.000) 0.873 16.968 ( 0.000 -15.442 0.000) 15.442 16.979 ( -0.000 -5.334 0.000) 5.334 17.203 ( 0.000 -4.592 0.000) 4.592 17.219 ( -0.000 -3.478 0.000) 3.478 17.328 ( 0.000 -6.995 0.000) 6.995 17.442 ( 0.000 -2.473 0.000) 2.473 17.469 ( 0.000 -3.986 0.000) 3.986 17.472 ( -0.000 -14.145 0.000) 14.145 17.693 ( 0.000 -7.992 0.000) 7.992 17.789 ( 0.000 -2.246 0.000) 2.246 17.850 ( 0.000 -6.875 0.000) 6.875 18.095 ( -0.000 -3.560 0.000) 3.560 18.138 ( 0.000 -9.921 0.000) 9.921 18.360 ( 0.000 -1.930 0.000) 1.930 18.419 ( 0.000 -3.889 0.000) 3.889 18.506 ( -0.000 -12.193 0.000) 12.193 18.609 ( 0.000 3.679 0.000) 3.679 18.825 ( 0.000 -7.895 0.000) 7.895 18.926 ( 0.000 4.076 -0.000) 4.076 18.995 ( 0.000 -4.716 0.000) 4.716 19.103 ( 0.000 4.075 -0.000) 4.075 19.166 ( 0.000 -9.269 0.000) 9.269 19.260 ( 0.000 -10.499 0.000) 10.499 19.347 ( 0.000 1.050 0.000) 1.050 19.526 ( 0.000 -8.498 0.000) 8.498 19.614 ( 0.000 -6.809 0.000) 6.809 19.767 ( -0.000 7.430 0.000) 7.430 19.851 ( 0.000 13.981 0.000) 13.981 20.049 ( 0.000 10.810 0.000) 10.810 20.398 ( 0.000 -3.075 0.000) 3.075 20.703 ( -0.000 6.552 0.000) 6.552 20.713 ( 0.000 -0.357 0.000) 0.357 20.854 ( 0.000 -7.493 0.000) 7.493 21.090 ( 0.000 5.496 0.000) 5.496 21.173 ( -0.000 17.552 0.000) 17.552 21.386 ( 0.000 12.432 0.000) 12.432 21.522 ( 0.000 21.246 0.000) 21.246 21.571 ( -0.000 18.482 -0.000) 18.482 21.798 ( 0.000 -3.871 0.000) 3.871 21.987 ( 0.000 5.472 0.000) 5.472 22.083 ( 0.000 -0.967 0.000) 0.967 22.124 ( 0.000 0.985 0.000) 0.985 22.311 ( 0.000 -1.236 0.000) 1.236 22.360 ( -0.000 3.435 0.000) 3.435 22.516 ( 0.000 -1.372 0.000) 1.372 22.524 ( 0.000 -1.703 0.000) 1.703 22.540 ( -0.000 -10.437 -0.000) 10.437 22.721 ( 0.000 0.091 0.000) 0.091 22.780 ( 0.000 1.875 0.000) 1.875 22.794 ( -0.000 0.396 0.000) 0.396 23.016 ( -0.000 -0.819 0.000) 0.819 23.027 ( 0.000 -5.154 0.000) 5.154 23.111 ( 0.000 -1.753 0.000) 1.753 23.147 ( -0.000 -2.251 0.000) 2.251 23.271 ( 0.000 -1.960 -0.000) 1.960 23.379 ( 0.000 -1.874 0.000) 1.874 23.404 ( 0.000 -4.345 0.000) 4.345 23.716 ( 0.000 8.626 0.000) 8.626 23.834 ( 0.000 1.073 0.000) 1.073 23.852 ( 0.000 2.195 0.000) 2.195 24.042 ( 0.000 -0.666 0.000) 0.666 24.077 ( -0.000 0.089 0.000) 0.089 24.114 ( 0.000 -1.534 0.000) 1.534 24.186 ( 0.000 1.702 0.000) 1.702 24.270 ( 0.000 -0.026 0.000) 0.026 24.327 ( 0.000 1.679 0.000) 1.679 24.652 ( 0.000 -4.943 0.000) 4.943 24.881 ( 0.000 5.724 0.000) 5.724 25.069 ( 0.000 -2.764 0.000) 2.764 25.253 ( 0.000 3.838 0.000) 3.838 25.499 ( 0.000 -1.240 0.000) 1.240 25.508 ( -0.000 -2.443 0.000) 2.443 25.568 ( 0.000 -2.898 0.000) 2.898 25.638 ( 0.000 5.413 0.000) 5.413 25.754 ( 0.000 -0.397 0.000) 0.397 26.030 ( -0.000 8.348 0.000) 8.348 26.215 ( 0.000 -4.472 0.000) 4.472 26.249 ( 0.000 -3.387 0.000) 3.387 26.313 ( 0.000 1.489 0.000) 1.489 26.435 ( 0.000 4.142 0.000) 4.142 26.517 ( 0.000 -0.769 0.000) 0.769 26.574 ( 0.000 0.868 0.000) 0.868 26.811 ( 0.000 -6.114 0.000) 6.114 26.835 ( 0.000 -6.693 0.000) 6.693 26.990 ( 0.000 2.195 0.000) 2.195 27.056 ( 0.000 -3.431 0.000) 3.431 27.213 ( 0.000 -4.087 0.000) 4.087 27.473 ( 0.000 -6.891 0.000) 6.891 27.714 ( 0.000 12.422 0.000) 12.422 27.821 ( 0.000 -5.292 0.000) 5.292 27.887 ( 0.000 7.729 0.000) 7.729 28.055 ( 0.000 4.119 0.000) 4.119 28.579 ( 0.000 -1.131 0.000) 1.131 28.590 ( -0.000 -0.850 0.000) 0.850 28.710 ( 0.000 -5.718 0.000) 5.718 28.804 ( 0.000 -3.951 0.000) 3.951 29.351 ( 0.000 4.544 0.000) 4.544 29.399 ( -0.000 5.434 0.000) 5.434 29.767 ( 0.000 -3.754 0.000) 3.754 29.894 ( -0.000 0.364 -0.000) 0.364 29.929 ( 0.000 -5.772 0.000) 5.772 29.976 ( 0.000 -4.825 0.000) 4.825 30.103 ( 0.000 2.777 0.000) 2.777 30.126 ( 0.000 2.218 0.000) 2.218 30.126 ( -0.000 2.164 0.000) 2.164 30.196 ( 0.000 4.049 0.000) 4.049 30.443 ( 0.000 -3.181 0.000) 3.181 30.470 ( 0.000 -1.977 0.000) 1.977 30.473 ( -0.000 -1.480 0.000) 1.480 30.567 ( 0.000 2.569 0.000) 2.569 30.593 ( 0.000 0.956 0.000) 0.956 30.608 ( 0.000 1.044 0.000) 1.044 33.703 ( 0.000 -0.122 0.000) 0.122 33.714 ( -0.000 0.406 0.000) 0.406 33.738 ( 0.000 -0.424 0.000) 0.424 33.747 ( 0.000 -0.011 0.000) 0.011 ======================= Grid point 277 (58/60) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.617 ( 1.743 1.743 0.000) 2.466 3.735 ( 2.453 2.453 0.000) 3.470 5.560 ( 0.926 0.926 0.000) 1.310 5.777 ( 6.758 6.758 0.000) 9.558 6.255 ( -3.135 -3.135 0.000) 4.433 6.349 ( -5.046 -5.046 0.000) 7.137 8.196 ( 9.127 9.127 -0.000) 12.907 8.233 ( 3.156 3.156 0.000) 4.464 8.784 ( -9.530 -9.530 0.000) 13.478 9.126 ( 12.550 12.550 -0.000) 17.748 9.135 ( 21.796 21.796 0.000) 30.824 9.641 ( 3.478 3.478 0.000) 4.919 9.912 ( -7.470 -7.470 0.000) 10.564 9.947 ( -0.495 -0.495 -0.000) 0.701 9.963 ( -3.782 -3.782 0.000) 5.348 10.380 ( -5.222 -5.222 -0.000) 7.386 10.580 ( -8.310 -8.310 0.000) 11.752 10.830 ( -2.381 -2.381 0.000) 3.367 11.047 ( -4.026 -4.026 -0.000) 5.693 11.050 ( -2.334 -2.334 0.000) 3.301 11.465 ( -9.343 -9.343 0.000) 13.213 11.683 ( 4.574 4.574 -0.000) 6.469 11.946 ( -1.054 -1.054 0.000) 1.490 12.109 ( 0.771 0.771 0.000) 1.091 12.125 ( -1.966 -1.966 -0.000) 2.780 12.635 ( 7.195 7.195 0.000) 10.175 12.659 ( 0.667 0.667 -0.000) 0.944 12.719 ( 1.971 1.971 -0.000) 2.787 12.902 ( 15.912 15.912 0.000) 22.502 13.309 ( 1.654 1.654 -0.000) 2.339 13.423 ( -1.841 -1.841 0.000) 2.603 13.561 ( 18.189 18.189 -0.000) 25.723 13.679 ( 2.635 2.635 0.000) 3.727 13.728 ( -0.813 -0.813 0.000) 1.149 13.953 ( 10.250 10.250 0.000) 14.495 14.553 ( -0.018 -0.018 0.000) 0.026 14.650 ( 8.478 8.478 0.000) 11.990 14.870 ( 2.601 2.601 0.000) 3.679 15.414 ( 2.388 2.388 0.000) 3.378 15.660 ( 0.618 0.618 -0.000) 0.874 15.698 ( -0.596 -0.596 0.000) 0.843 15.846 ( -5.314 -5.314 0.000) 7.515 16.254 ( -15.101 -15.101 0.000) 21.356 16.283 ( 3.189 3.189 -0.000) 4.510 16.384 ( -8.658 -8.658 0.000) 12.244 16.533 ( -7.912 -7.912 0.000) 11.190 16.653 ( 7.095 7.095 0.000) 10.034 16.930 ( -10.728 -10.728 -0.000) 15.171 17.044 ( -6.481 -6.481 0.000) 9.166 17.252 ( -6.947 -6.947 0.000) 9.825 17.268 ( -2.249 -2.249 0.000) 3.181 17.287 ( -9.105 -9.105 -0.000) 12.876 17.342 ( -5.980 -5.980 0.000) 8.456 17.460 ( -2.283 -2.283 -0.000) 3.229 17.526 ( -2.659 -2.659 0.000) 3.760 17.781 ( -2.953 -2.953 -0.000) 4.177 17.923 ( 0.246 0.246 -0.000) 0.349 17.942 ( -5.314 -5.314 0.000) 7.515 18.103 ( -5.381 -5.381 0.000) 7.610 18.225 ( 0.919 0.919 -0.000) 1.300 18.388 ( 0.325 0.325 0.000) 0.459 18.485 ( -10.799 -10.799 0.000) 15.272 18.708 ( -0.223 -0.223 -0.000) 0.316 18.757 ( -5.957 -5.957 0.000) 8.424 18.871 ( -5.615 -5.615 0.000) 7.940 18.951 ( -4.652 -4.652 0.000) 6.579 19.041 ( -4.636 -4.636 0.000) 6.557 19.064 ( -2.815 -2.815 -0.000) 3.980 19.292 ( -0.448 -0.448 -0.000) 0.634 19.293 ( -0.991 -0.991 0.000) 1.401 19.419 ( 0.813 0.813 -0.000) 1.150 19.656 ( 6.610 6.610 0.000) 9.349 19.802 ( 5.222 5.222 0.000) 7.385 19.993 ( 1.697 1.697 0.000) 2.399 20.211 ( 2.284 2.284 -0.000) 3.230 20.265 ( 2.196 2.196 0.000) 3.106 20.696 ( -2.590 -2.590 -0.000) 3.662 20.717 ( 11.451 11.451 0.000) 16.194 20.778 ( 0.764 0.764 0.000) 1.081 21.248 ( 10.979 10.979 0.000) 15.527 21.351 ( 3.430 3.430 0.000) 4.850 21.595 ( -5.452 -5.452 0.000) 7.710 21.741 ( 10.682 10.682 0.000) 15.107 21.784 ( 5.282 5.282 0.000) 7.469 21.839 ( 7.317 7.317 0.000) 10.348 22.031 ( 11.404 11.404 0.000) 16.128 22.132 ( -2.360 -2.360 0.000) 3.337 22.143 ( -0.128 -0.128 0.000) 0.181 22.176 ( 6.519 6.519 0.000) 9.220 22.303 ( -4.625 -4.625 0.000) 6.541 22.462 ( 0.380 0.380 0.000) 0.538 22.514 ( 2.274 2.274 -0.000) 3.216 22.570 ( -3.226 -3.226 0.000) 4.563 22.663 ( 4.475 4.475 0.000) 6.329 22.718 ( 0.553 0.553 -0.000) 0.782 22.770 ( 0.254 0.254 0.000) 0.359 22.939 ( -6.549 -6.549 0.000) 9.262 23.020 ( 0.664 0.664 0.000) 0.939 23.083 ( -3.017 -3.017 0.000) 4.267 23.234 ( -5.270 -5.270 0.000) 7.453 23.235 ( 1.331 1.331 -0.000) 1.882 23.357 ( -5.268 -5.268 -0.000) 7.450 23.372 ( 0.307 0.307 0.000) 0.434 23.803 ( 3.152 3.152 0.000) 4.458 23.848 ( 0.428 0.428 0.000) 0.605 23.883 ( 1.712 1.712 0.000) 2.421 24.055 ( 0.799 0.799 0.000) 1.130 24.060 ( -0.508 -0.508 -0.000) 0.718 24.084 ( -1.067 -1.067 -0.000) 1.509 24.201 ( -0.178 -0.178 0.000) 0.252 24.285 ( 0.579 0.579 0.000) 0.819 24.349 ( 0.395 0.395 0.000) 0.559 24.591 ( -0.522 -0.522 0.000) 0.739 24.938 ( 2.991 2.991 0.000) 4.229 25.036 ( 2.242 2.242 0.000) 3.171 25.289 ( 1.818 1.818 0.000) 2.571 25.393 ( -1.579 -1.579 0.000) 2.234 25.504 ( -0.691 -0.691 0.000) 0.977 25.573 ( -0.856 -0.856 0.000) 1.210 25.734 ( 1.352 1.352 0.000) 1.912 25.743 ( 5.045 5.045 0.000) 7.135 26.090 ( 1.027 1.027 0.000) 1.453 26.106 ( 1.501 1.501 0.000) 2.123 26.240 ( -3.595 -3.595 0.000) 5.085 26.344 ( 3.116 3.116 0.000) 4.407 26.497 ( 1.761 1.761 -0.000) 2.490 26.532 ( -2.239 -2.239 0.000) 3.167 26.577 ( 1.409 1.409 0.000) 1.992 26.736 ( -5.106 -5.106 0.000) 7.220 26.779 ( -4.354 -4.354 0.000) 6.158 26.952 ( -7.463 -7.463 0.000) 10.555 27.032 ( -2.575 -2.575 0.000) 3.642 27.300 ( 0.193 0.193 0.000) 0.273 27.329 ( 0.253 0.253 0.000) 0.358 27.739 ( -5.283 -5.283 0.000) 7.472 27.879 ( 7.825 7.825 0.000) 11.066 27.938 ( 7.754 7.754 0.000) 10.966 28.139 ( -0.081 -0.081 0.000) 0.115 28.527 ( -0.793 -0.793 0.000) 1.122 28.620 ( -4.967 -4.967 0.000) 7.025 28.665 ( -1.328 -1.328 0.000) 1.879 28.707 ( -2.528 -2.528 0.000) 3.575 29.422 ( 5.070 5.070 -0.000) 7.170 29.455 ( 3.767 3.767 0.000) 5.328 29.762 ( -2.763 -2.763 0.000) 3.907 29.802 ( -1.523 -1.523 0.000) 2.154 29.915 ( -3.596 -3.596 -0.000) 5.085 29.930 ( -3.191 -3.191 0.000) 4.512 30.131 ( 2.064 2.064 0.000) 2.918 30.137 ( 1.257 1.257 -0.000) 1.777 30.159 ( 2.562 2.562 0.000) 3.624 30.255 ( 2.159 2.159 0.000) 3.053 30.391 ( -1.367 -1.367 0.000) 1.933 30.449 ( -1.989 -1.989 -0.000) 2.813 30.460 ( -1.601 -1.601 0.000) 2.264 30.592 ( 1.038 1.038 0.000) 1.468 30.610 ( 0.981 0.981 0.000) 1.387 30.611 ( 1.073 1.073 0.000) 1.518 33.702 ( 0.011 0.011 0.000) 0.016 33.719 ( 0.289 0.289 0.000) 0.409 33.732 ( -0.286 -0.286 0.000) 0.405 33.747 ( -0.164 -0.164 0.000) 0.232 ======================= Grid point 279 (59/60) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.636 ( 0.000 1.297 0.000) 1.297 3.759 ( 0.000 2.137 0.000) 2.137 5.570 ( 0.000 1.188 0.000) 1.188 5.855 ( 0.000 9.802 0.000) 9.802 6.222 ( 0.000 -2.571 0.000) 2.571 6.287 ( 0.000 -5.752 0.000) 5.752 8.243 ( 0.000 1.631 0.000) 1.631 8.478 ( 0.000 -10.286 0.000) 10.286 8.489 ( -0.000 -6.218 0.000) 6.218 9.299 ( 0.000 22.239 0.000) 22.239 9.531 ( -0.000 19.368 0.000) 19.368 9.537 ( 0.000 9.944 0.000) 9.944 9.729 ( 0.000 10.761 -0.000) 10.761 9.939 ( 0.000 7.589 -0.000) 7.589 9.997 ( 0.000 -7.913 -0.000) 7.913 10.331 ( 0.000 -16.141 0.000) 16.141 10.479 ( 0.000 -7.938 0.000) 7.938 10.802 ( 0.000 -0.839 0.000) 0.839 11.025 ( 0.000 -3.915 0.000) 3.915 11.067 ( -0.000 -7.943 0.000) 7.943 11.319 ( 0.000 -15.377 0.000) 15.377 11.730 ( 0.000 4.649 0.000) 4.649 11.909 ( 0.000 -1.043 0.000) 1.043 12.080 ( 0.000 -0.743 0.000) 0.743 12.184 ( 0.000 -7.310 0.000) 7.310 12.648 ( 0.000 1.854 0.000) 1.854 12.698 ( 0.000 8.416 -0.000) 8.416 12.743 ( 0.000 3.989 0.000) 3.989 13.127 ( -0.000 16.489 0.000) 16.489 13.199 ( 0.000 8.860 0.000) 8.860 13.480 ( 0.000 -8.333 0.000) 8.333 13.645 ( -0.000 -8.223 0.000) 8.223 13.749 ( -0.000 18.949 -0.000) 18.949 13.927 ( 0.000 19.173 0.000) 19.173 13.967 ( -0.000 11.359 0.000) 11.359 14.544 ( -0.000 -0.579 0.000) 0.579 14.714 ( 0.000 -8.365 0.000) 8.365 14.869 ( 0.000 16.209 0.000) 16.209 15.453 ( 0.000 -7.139 0.000) 7.139 15.645 ( 0.000 10.378 0.000) 10.378 15.717 ( -0.000 -8.724 0.000) 8.724 15.839 ( 0.000 0.850 0.000) 0.850 16.001 ( 0.000 0.654 0.000) 0.654 16.253 ( 0.000 -8.812 0.000) 8.812 16.343 ( 0.000 -2.884 0.000) 2.884 16.432 ( -0.000 -7.394 0.000) 7.394 16.761 ( 0.000 -1.559 0.000) 1.559 16.923 ( -0.000 -21.713 -0.000) 21.713 16.939 ( 0.000 2.061 -0.000) 2.061 17.153 ( -0.000 -8.390 0.000) 8.390 17.158 ( 0.000 -3.126 0.000) 3.126 17.251 ( -0.000 -5.851 0.000) 5.851 17.284 ( -0.000 -10.268 -0.000) 10.268 17.439 ( 0.000 -1.954 -0.000) 1.954 17.530 ( 0.000 -8.569 0.000) 8.569 17.748 ( 0.000 -0.645 0.000) 0.645 17.853 ( -0.000 3.363 0.000) 3.363 17.987 ( -0.000 -6.022 0.000) 6.022 18.001 ( 0.000 -5.131 0.000) 5.131 18.292 ( 0.000 -3.956 0.000) 3.956 18.325 ( -0.000 -6.750 0.000) 6.750 18.396 ( 0.000 -0.198 0.000) 0.198 18.662 ( 0.000 2.909 0.000) 2.909 18.740 ( -0.000 -2.715 0.000) 2.715 18.825 ( 0.000 -11.762 0.000) 11.762 18.908 ( 0.000 -3.375 0.000) 3.375 18.977 ( 0.000 -6.476 -0.000) 6.476 19.050 ( 0.000 -5.238 0.000) 5.238 19.228 ( 0.000 4.480 0.000) 4.480 19.335 ( 0.000 -5.006 0.000) 5.006 19.443 ( 0.000 2.199 -0.000) 2.199 19.718 ( 0.000 10.542 0.000) 10.542 19.868 ( 0.000 1.882 0.000) 1.882 19.979 ( 0.000 0.039 0.000) 0.039 20.224 ( 0.000 7.995 0.000) 7.995 20.313 ( 0.000 -1.677 0.000) 1.677 20.677 ( 0.000 -2.489 0.000) 2.489 20.788 ( 0.000 -3.384 0.000) 3.384 20.830 ( 0.000 4.531 0.000) 4.531 21.323 ( 0.000 18.613 0.000) 18.613 21.391 ( 0.000 6.263 0.000) 6.263 21.571 ( 0.000 2.099 0.000) 2.099 21.815 ( 0.000 6.401 0.000) 6.401 21.858 ( 0.000 12.284 0.000) 12.284 21.884 ( -0.000 12.750 0.000) 12.750 22.066 ( 0.000 0.922 0.000) 0.922 22.139 ( -0.000 0.201 0.000) 0.201 22.152 ( 0.000 11.587 0.000) 11.587 22.263 ( 0.000 -4.313 0.000) 4.313 22.313 ( 0.000 -12.350 0.000) 12.350 22.446 ( -0.000 2.495 0.000) 2.495 22.511 ( 0.000 0.768 0.000) 0.768 22.544 ( 0.000 6.558 0.000) 6.558 22.720 ( -0.000 -1.267 0.000) 1.267 22.764 ( -0.000 -0.409 0.000) 0.409 22.812 ( 0.000 -0.459 0.000) 0.459 22.855 ( 0.000 -9.860 0.000) 9.860 23.033 ( -0.000 1.980 0.000) 1.980 23.065 ( 0.000 -3.473 -0.000) 3.473 23.091 ( 0.000 -2.970 -0.000) 2.970 23.260 ( 0.000 -0.031 0.000) 0.031 23.300 ( 0.000 -5.799 0.000) 5.799 23.389 ( 0.000 1.441 0.000) 1.441 23.832 ( -0.000 3.878 0.000) 3.878 23.859 ( 0.000 1.489 0.000) 1.489 23.887 ( 0.000 0.928 0.000) 0.928 24.050 ( 0.000 1.398 0.000) 1.398 24.070 ( -0.000 -1.206 -0.000) 1.206 24.077 ( 0.000 -1.790 0.000) 1.790 24.197 ( 0.000 0.096 0.000) 0.096 24.291 ( 0.000 1.432 0.000) 1.432 24.351 ( 0.000 0.869 0.000) 0.869 24.590 ( 0.000 -1.682 0.000) 1.682 24.966 ( 0.000 3.262 0.000) 3.262 25.071 ( 0.000 2.946 0.000) 2.946 25.280 ( 0.000 -0.434 0.000) 0.434 25.388 ( 0.000 -8.562 0.000) 8.562 25.521 ( 0.000 3.036 0.000) 3.036 25.553 ( -0.000 0.535 0.000) 0.535 25.746 ( -0.000 5.234 0.000) 5.234 25.783 ( 0.000 1.827 0.000) 1.827 26.118 ( -0.000 1.259 0.000) 1.259 26.122 ( 0.000 -4.519 0.000) 4.519 26.204 ( 0.000 -0.901 0.000) 0.901 26.387 ( 0.000 5.540 0.000) 5.540 26.455 ( 0.000 -0.991 0.000) 0.991 26.565 ( 0.000 4.499 0.000) 4.499 26.574 ( 0.000 -1.155 0.000) 1.155 26.687 ( 0.000 -6.755 0.000) 6.755 26.736 ( 0.000 -3.677 0.000) 3.677 26.882 ( 0.000 -8.652 0.000) 8.652 26.995 ( 0.000 -1.344 0.000) 1.344 27.273 ( -0.000 5.227 0.000) 5.227 27.369 ( 0.000 -3.605 0.000) 3.605 27.680 ( 0.000 -7.558 0.000) 7.558 27.953 ( 0.000 12.074 0.000) 12.074 28.050 ( 0.000 7.554 0.000) 7.554 28.115 ( -0.000 2.356 0.000) 2.356 28.533 ( 0.000 -4.929 0.000) 4.929 28.540 ( -0.000 -3.644 0.000) 3.644 28.645 ( -0.000 -1.015 0.000) 1.015 28.694 ( 0.000 -5.934 0.000) 5.934 29.470 ( 0.000 7.319 0.000) 7.319 29.508 ( -0.000 5.671 0.000) 5.671 29.710 ( 0.000 -2.570 0.000) 2.570 29.817 ( 0.000 -5.762 0.000) 5.762 29.861 ( 0.000 -3.155 -0.000) 3.155 29.898 ( 0.000 -3.127 0.000) 3.127 30.145 ( 0.000 1.994 0.000) 1.994 30.156 ( 0.000 1.052 0.000) 1.052 30.188 ( -0.000 3.351 0.000) 3.351 30.273 ( 0.000 4.084 0.000) 4.084 30.385 ( 0.000 -2.759 0.000) 2.759 30.418 ( 0.000 -3.392 0.000) 3.392 30.447 ( 0.000 -1.246 0.000) 1.246 30.602 ( 0.000 1.196 0.000) 1.196 30.618 ( 0.000 1.289 0.000) 1.289 30.624 ( 0.000 0.661 0.000) 0.661 33.702 ( 0.000 0.001 0.000) 0.001 33.722 ( -0.000 0.415 0.000) 0.415 33.730 ( 0.000 -0.349 0.000) 0.349 33.744 ( 0.000 -0.219 0.000) 0.219 ======================= Grid point 299 (60/60) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 6.195 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.380 ( -0.000 -0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 9.645 ( -0.000 -0.000 -0.000) 0.000 9.645 ( 0.000 0.000 0.000) 0.000 9.678 ( 0.000 0.000 0.000) 0.000 9.757 ( 0.000 0.000 -0.000) 0.000 10.017 ( 0.000 0.000 -0.000) 0.000 10.017 ( 0.000 0.000 0.000) 0.000 10.102 ( -0.000 -0.000 -0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 0.000) 0.000 11.017 ( 0.000 0.000 0.000) 0.000 11.017 ( 0.000 0.000 0.000) 0.000 11.117 ( -0.000 -0.000 0.000) 0.000 11.756 ( 0.000 0.000 0.000) 0.000 11.897 ( 0.000 0.000 0.000) 0.000 12.106 ( 0.000 0.000 -0.000) 0.000 12.106 ( 0.000 0.000 0.000) 0.000 12.657 ( 0.000 0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 13.337 ( 0.000 0.000 0.000) 0.000 13.337 ( 0.000 0.000 0.000) 0.000 13.353 ( -0.000 -0.000 0.000) 0.000 13.526 ( -0.000 -0.000 0.000) 0.000 14.014 ( 0.000 0.000 0.000) 0.000 14.135 ( -0.000 -0.000 0.000) 0.000 14.135 ( 0.000 0.000 -0.000) 0.000 14.542 ( -0.000 -0.000 0.000) 0.000 14.542 ( 0.000 0.000 0.000) 0.000 15.022 ( 0.000 0.000 0.000) 0.000 15.320 ( 0.000 0.000 0.000) 0.000 15.616 ( 0.000 0.000 -0.000) 0.000 15.780 ( 0.000 0.000 0.000) 0.000 15.970 ( 0.000 0.000 0.000) 0.000 16.012 ( -0.000 -0.000 0.000) 0.000 16.012 ( 0.000 0.000 0.000) 0.000 16.325 ( -0.000 -0.000 0.000) 0.000 16.325 ( 0.000 0.000 0.000) 0.000 16.653 ( -0.000 -0.000 0.000) 0.000 16.847 ( 0.000 0.000 0.000) 0.000 17.029 ( 0.000 0.000 0.000) 0.000 17.052 ( -0.000 -0.000 0.000) 0.000 17.052 ( 0.000 0.000 0.000) 0.000 17.194 ( 0.000 0.000 -0.000) 0.000 17.194 ( 0.000 0.000 0.000) 0.000 17.411 ( 0.000 0.000 -0.000) 0.000 17.432 ( -0.000 -0.000 0.000) 0.000 17.748 ( 0.000 0.000 0.000) 0.000 17.922 ( -0.000 -0.000 0.000) 0.000 17.922 ( 0.000 0.000 0.000) 0.000 17.922 ( 0.000 0.000 0.000) 0.000 18.253 ( -0.000 -0.000 -0.000) 0.000 18.253 ( 0.000 0.000 0.000) 0.000 18.399 ( 0.000 0.000 0.000) 0.000 18.708 ( -0.000 -0.000 0.000) 0.000 18.713 ( -0.000 -0.000 -0.000) 0.000 18.713 ( 0.000 0.000 0.000) 0.000 18.873 ( 0.000 0.000 -0.000) 0.000 18.880 ( 0.000 0.000 0.000) 0.000 19.022 ( -0.000 -0.000 0.000) 0.000 19.275 ( 0.000 0.000 0.000) 0.000 19.275 ( 0.000 0.000 0.000) 0.000 19.480 ( 0.000 0.000 0.000) 0.000 19.870 ( 0.000 0.000 0.000) 0.000 19.870 ( 0.000 0.000 0.000) 0.000 19.926 ( -0.000 -0.000 0.000) 0.000 20.314 ( 0.000 0.000 0.000) 0.000 20.314 ( 0.000 0.000 0.000) 0.000 20.653 ( 0.000 0.000 0.000) 0.000 20.738 ( 0.000 0.000 0.000) 0.000 20.869 ( 0.000 0.000 0.000) 0.000 21.448 ( 0.000 0.000 0.000) 0.000 21.568 ( -0.000 -0.000 0.000) 0.000 21.568 ( 0.000 0.000 0.000) 0.000 21.865 ( 0.000 0.000 0.000) 0.000 22.013 ( 0.000 0.000 0.000) 0.000 22.013 ( 0.000 0.000 0.000) 0.000 22.041 ( -0.000 -0.000 0.000) 0.000 22.140 ( -0.000 -0.000 0.000) 0.000 22.140 ( -0.000 -0.000 0.000) 0.000 22.214 ( 0.000 0.000 0.000) 0.000 22.331 ( 0.000 0.000 -0.000) 0.000 22.453 ( -0.000 -0.000 0.000) 0.000 22.564 ( 0.000 0.000 0.000) 0.000 22.643 ( -0.000 -0.000 -0.000) 0.000 22.659 ( -0.000 -0.000 0.000) 0.000 22.659 ( 0.000 0.000 0.000) 0.000 22.838 ( 0.000 0.000 0.000) 0.000 22.838 ( 0.000 0.000 0.000) 0.000 22.996 ( 0.000 0.000 0.000) 0.000 23.059 ( 0.000 0.000 -0.000) 0.000 23.059 ( 0.000 0.000 0.000) 0.000 23.225 ( 0.000 0.000 0.000) 0.000 23.261 ( 0.000 0.000 0.000) 0.000 23.409 ( 0.000 0.000 0.000) 0.000 23.878 ( 0.000 0.000 0.000) 0.000 23.878 ( 0.000 0.000 0.000) 0.000 23.881 ( -0.000 -0.000 0.000) 0.000 24.041 ( 0.000 0.000 0.000) 0.000 24.068 ( 0.000 0.000 0.000) 0.000 24.068 ( 0.000 0.000 0.000) 0.000 24.199 ( 0.000 0.000 0.000) 0.000 24.305 ( 0.000 0.000 -0.000) 0.000 24.359 ( 0.000 0.000 0.000) 0.000 24.578 ( 0.000 0.000 0.000) 0.000 24.998 ( 0.000 0.000 0.000) 0.000 25.133 ( 0.000 0.000 0.000) 0.000 25.271 ( -0.000 -0.000 0.000) 0.000 25.271 ( 0.000 0.000 0.000) 0.000 25.560 ( 0.000 0.000 0.000) 0.000 25.560 ( 0.000 0.000 0.000) 0.000 25.800 ( 0.000 0.000 0.000) 0.000 25.800 ( 0.000 0.000 0.000) 0.000 26.077 ( -0.000 -0.000 0.000) 0.000 26.124 ( 0.000 0.000 0.000) 0.000 26.204 ( 0.000 0.000 0.000) 0.000 26.443 ( -0.000 -0.000 -0.000) 0.000 26.443 ( 0.000 0.000 0.000) 0.000 26.550 ( 0.000 0.000 0.000) 0.000 26.618 ( 0.000 0.000 0.000) 0.000 26.618 ( 0.000 0.000 0.000) 0.000 26.700 ( 0.000 0.000 0.000) 0.000 26.800 ( 0.000 0.000 0.000) 0.000 26.973 ( 0.000 0.000 0.000) 0.000 27.337 ( 0.000 0.000 0.000) 0.000 27.337 ( 0.000 0.000 0.000) 0.000 27.591 ( 0.000 0.000 0.000) 0.000 28.091 ( 0.000 0.000 0.000) 0.000 28.132 ( 0.000 0.000 0.000) 0.000 28.144 ( 0.000 0.000 0.000) 0.000 28.472 ( 0.000 0.000 0.000) 0.000 28.472 ( 0.000 0.000 0.000) 0.000 28.640 ( 0.000 0.000 -0.000) 0.000 28.640 ( 0.000 0.000 0.000) 0.000 29.574 ( -0.000 -0.000 0.000) 0.000 29.574 ( 0.000 0.000 0.000) 0.000 29.664 ( 0.000 0.000 0.000) 0.000 29.754 ( 0.000 0.000 0.000) 0.000 29.819 ( 0.000 0.000 -0.000) 0.000 29.869 ( 0.000 0.000 0.000) 0.000 30.165 ( 0.000 0.000 0.000) 0.000 30.165 ( 0.000 0.000 0.000) 0.000 30.226 ( 0.000 0.000 0.000) 0.000 30.343 ( 0.000 0.000 0.000) 0.000 30.354 ( -0.000 -0.000 -0.000) 0.000 30.354 ( 0.000 0.000 0.000) 0.000 30.433 ( 0.000 0.000 0.000) 0.000 30.613 ( 0.000 0.000 0.000) 0.000 30.631 ( 0.000 0.000 0.000) 0.000 30.631 ( 0.000 0.000 0.000) 0.000 33.703 ( 0.000 0.000 0.000) 0.000 33.726 ( 0.000 0.000 0.000) 0.000 33.726 ( 0.000 0.000 0.000) 0.000 33.741 ( 0.000 0.000 0.000) 0.000 =================== 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 3/58320 10.0 269.324 269.324 116.091 0.000 0.000 0.000 3/58320 20.0 1827.535 1827.535 1096.112 0.000 0.000 0.000 3/58320 30.0 795.167 795.167 608.063 0.000 0.000 0.000 3/58320 40.0 400.892 400.892 327.637 0.000 0.000 0.000 3/58320 50.0 243.248 243.248 200.042 0.000 0.000 0.000 3/58320 60.0 164.565 164.565 137.231 0.000 0.000 0.000 3/58320 70.0 119.810 119.810 102.696 0.000 0.000 0.000 3/58320 80.0 91.975 91.975 81.656 0.000 0.000 0.000 3/58320 90.0 73.474 73.474 67.715 0.000 0.000 0.000 3/58320 100.0 60.509 60.509 57.838 0.000 0.000 0.000 3/58320 110.0 51.021 51.021 50.463 0.000 0.000 0.000 3/58320 120.0 43.827 43.827 44.729 0.000 0.000 0.000 3/58320 130.0 38.212 38.212 40.127 0.000 0.000 0.000 3/58320 140.0 33.724 33.724 36.345 0.000 0.000 0.000 3/58320 150.0 30.066 30.066 33.175 0.000 0.000 0.000 3/58320 160.0 27.036 27.036 30.480 0.000 0.000 0.000 3/58320 170.0 24.494 24.494 28.160 0.000 0.000 0.000 3/58320 180.0 22.336 22.336 26.144 0.000 0.000 0.000 3/58320 190.0 20.488 20.488 24.376 0.000 0.000 0.000 3/58320 200.0 18.890 18.890 22.816 0.000 0.000 0.000 3/58320 210.0 17.500 17.500 21.431 0.000 0.000 0.000 3/58320 220.0 16.283 16.283 20.193 0.000 0.000 0.000 3/58320 230.0 15.209 15.209 19.084 0.000 0.000 0.000 3/58320 240.0 14.259 14.259 18.083 0.000 0.000 0.000 3/58320 250.0 13.412 13.412 17.178 0.000 0.000 0.000 3/58320 260.0 12.654 12.654 16.356 0.000 0.000 0.000 3/58320 270.0 11.973 11.973 15.606 0.000 0.000 0.000 3/58320 280.0 11.359 11.359 14.921 0.000 0.000 0.000 3/58320 290.0 10.802 10.802 14.292 0.000 0.000 0.000 3/58320 300.0 10.296 10.296 13.713 0.000 0.000 0.000 3/58320 310.0 9.835 9.835 13.179 0.000 0.000 0.000 3/58320 320.0 9.412 9.412 12.685 0.000 0.000 0.000 3/58320 330.0 9.024 9.024 12.227 0.000 0.000 0.000 3/58320 340.0 8.667 8.667 11.800 0.000 0.000 0.000 3/58320 350.0 8.337 8.337 11.403 0.000 0.000 0.000 3/58320 360.0 8.032 8.032 11.032 0.000 0.000 0.000 3/58320 370.0 7.748 7.748 10.685 0.000 0.000 0.000 3/58320 380.0 7.484 7.484 10.360 0.000 0.000 0.000 3/58320 390.0 7.238 7.238 10.054 0.000 0.000 0.000 3/58320 400.0 7.008 7.008 9.766 0.000 0.000 0.000 3/58320 410.0 6.793 6.793 9.495 0.000 0.000 0.000 3/58320 420.0 6.590 6.590 9.239 0.000 0.000 0.000 3/58320 430.0 6.400 6.400 8.996 0.000 0.000 0.000 3/58320 440.0 6.221 6.221 8.767 0.000 0.000 0.000 3/58320 450.0 6.052 6.052 8.549 0.000 0.000 0.000 3/58320 460.0 5.893 5.893 8.342 0.000 0.000 0.000 3/58320 470.0 5.742 5.742 8.146 0.000 0.000 0.000 3/58320 480.0 5.599 5.599 7.959 0.000 0.000 0.000 3/58320 490.0 5.463 5.463 7.780 0.000 0.000 0.000 3/58320 500.0 5.334 5.334 7.610 0.000 0.000 0.000 3/58320 510.0 5.211 5.211 7.447 0.000 0.000 0.000 3/58320 520.0 5.094 5.094 7.291 0.000 0.000 0.000 3/58320 530.0 4.982 4.982 7.142 0.000 0.000 0.000 3/58320 540.0 4.875 4.875 6.999 0.000 0.000 0.000 3/58320 550.0 4.774 4.774 6.862 0.000 0.000 0.000 3/58320 560.0 4.676 4.676 6.731 0.000 0.000 0.000 3/58320 570.0 4.582 4.582 6.604 0.000 0.000 0.000 3/58320 580.0 4.493 4.493 6.483 0.000 0.000 0.000 3/58320 590.0 4.407 4.407 6.366 0.000 0.000 0.000 3/58320 600.0 4.324 4.324 6.253 0.000 0.000 0.000 3/58320 610.0 4.245 4.245 6.145 0.000 0.000 0.000 3/58320 620.0 4.168 4.168 6.040 0.000 0.000 0.000 3/58320 630.0 4.095 4.095 5.939 0.000 0.000 0.000 3/58320 640.0 4.024 4.024 5.841 0.000 0.000 0.000 3/58320 650.0 3.955 3.955 5.747 0.000 0.000 0.000 3/58320 660.0 3.889 3.889 5.655 0.000 0.000 0.000 3/58320 670.0 3.826 3.826 5.567 0.000 0.000 0.000 3/58320 680.0 3.764 3.764 5.482 0.000 0.000 0.000 3/58320 690.0 3.705 3.705 5.399 0.000 0.000 0.000 3/58320 700.0 3.647 3.647 5.319 0.000 0.000 0.000 3/58320 710.0 3.591 3.591 5.241 0.000 0.000 0.000 3/58320 720.0 3.537 3.537 5.165 0.000 0.000 0.000 3/58320 730.0 3.485 3.485 5.092 0.000 0.000 0.000 3/58320 740.0 3.434 3.434 5.021 0.000 0.000 0.000 3/58320 750.0 3.385 3.385 4.952 0.000 0.000 0.000 3/58320 760.0 3.337 3.337 4.885 0.000 0.000 0.000 3/58320 770.0 3.291 3.291 4.819 0.000 0.000 0.000 3/58320 780.0 3.246 3.246 4.756 0.000 0.000 0.000 3/58320 790.0 3.202 3.202 4.694 0.000 0.000 0.000 3/58320 800.0 3.160 3.160 4.634 0.000 0.000 0.000 3/58320 810.0 3.118 3.118 4.575 0.000 0.000 0.000 3/58320 820.0 3.078 3.078 4.518 0.000 0.000 0.000 3/58320 830.0 3.039 3.039 4.462 0.000 0.000 0.000 3/58320 840.0 3.001 3.001 4.408 0.000 0.000 0.000 3/58320 850.0 2.963 2.963 4.355 0.000 0.000 0.000 3/58320 860.0 2.927 2.927 4.304 0.000 0.000 0.000 3/58320 870.0 2.892 2.892 4.253 0.000 0.000 0.000 3/58320 880.0 2.857 2.857 4.204 0.000 0.000 0.000 3/58320 890.0 2.824 2.824 4.156 0.000 0.000 0.000 3/58320 900.0 2.791 2.791 4.109 0.000 0.000 0.000 3/58320 910.0 2.759 2.759 4.063 0.000 0.000 0.000 3/58320 920.0 2.727 2.727 4.018 0.000 0.000 0.000 3/58320 930.0 2.697 2.697 3.975 0.000 0.000 0.000 3/58320 940.0 2.667 2.667 3.932 0.000 0.000 0.000 3/58320 950.0 2.638 2.638 3.890 0.000 0.000 0.000 3/58320 960.0 2.609 2.609 3.849 0.000 0.000 0.000 3/58320 970.0 2.581 2.581 3.809 0.000 0.000 0.000 3/58320 980.0 2.554 2.554 3.769 0.000 0.000 0.000 3/58320 990.0 2.527 2.527 3.731 0.000 0.000 0.000 3/58320 1000.0 2.501 2.501 3.693 0.000 0.000 0.000 3/58320 Thermal conductivity related properties were written into "kappa-m6610.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:41:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|