----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:10:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.863917500042721 0.000000000000000 0.000000000000000 b 0.000000000000000 5.578305550000000 0.000000000000000 c -5.532649140726156 0.000000000000000 10.590094737388753 Atomic positions (fractional): *1 F 0.29190405291585 0.54580017706721 0.91739327822681 18.998 2 F 0.70809594708415 0.04580017706721 0.58260672177319 18.998 3 F 0.70809594708415 0.45419982293279 0.08260672177319 18.998 4 F 0.29190405291585 0.95419982293279 0.41739327822681 18.998 *5 F 0.72026337439039 0.55520250463221 0.54541841380895 18.998 6 F 0.27973662560961 0.05520250463221 0.95458158619105 18.998 7 F 0.27973662560961 0.44479749536779 0.45458158619105 18.998 8 F 0.72026337439039 0.94479749536779 0.04541841380895 18.998 *9 F 0.47773167628468 0.22762631608926 0.85921444463622 18.998 10 F 0.52226832371532 0.72762631608926 0.64078555536378 18.998 11 F 0.52226832371532 0.77237368391074 0.14078555536377 18.998 12 F 0.47773167628468 0.27237368391074 0.35921444463622 18.998 *13 F 0.97907586074337 0.24166099910004 0.05442184714850 18.998 14 F 0.02092413925663 0.74166099910004 0.44557815285150 18.998 15 F 0.02092413925663 0.75833900089996 0.94557815285150 18.998 16 F 0.97907586074337 0.25833900089996 0.55442184714850 18.998 *17 F 0.27134038057191 0.02419036685755 0.64441617796537 18.998 18 F 0.72865961942809 0.52419036685755 0.85558382203463 18.998 19 F 0.72865961942809 0.97580963314245 0.35558382203463 18.998 20 F 0.27134038057191 0.47580963314245 0.14441617796537 18.998 *21 F 0.25512343400507 0.95741658609992 0.17446722472633 18.998 22 F 0.74487656599493 0.45741658609992 0.32553277527367 18.998 23 F 0.74487656599493 0.04258341390008 0.82553277527367 18.998 24 F 0.25512343400507 0.54258341390008 0.67446722472633 18.998 *25 F 0.03061156131934 0.58007690696190 0.23440638169927 18.998 26 F 0.96938843868066 0.08007690696190 0.26559361830073 18.998 27 F 0.96938843868066 0.41992309303810 0.76559361830073 18.998 28 F 0.03061156131934 0.91992309303810 0.73440638169927 18.998 *29 Y 0.18617110179333 0.24212107958287 0.76564029211555 88.906 30 Y 0.81382889820667 0.74212107958287 0.73435970788445 88.906 31 Y 0.81382889820667 0.75787892041713 0.23435970788445 88.906 32 Y 0.18617110179333 0.25787892041713 0.26564029211555 88.906 *33 Sn 0.72814880512236 0.24340478962840 0.95698301782993 118.710 34 Sn 0.27185119487764 0.74340478962840 0.54301698217007 118.710 35 Sn 0.27185119487764 0.75659521037160 0.04301698217007 118.710 36 Sn 0.72814880512236 0.25659521037160 0.45698301782993 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.863917500042721 0.000000000000000 0.000000000000000 b 0.000000000000000 5.578305550000000 0.000000000000000 c -5.532649140726156 0.000000000000000 10.590094737388753 Atomic positions (fractional): *1 F 0.29190405291585 0.54580017706721 0.91739327822681 18.998 > 1 2 F 0.70809594708415 0.04580017706721 0.58260672177319 18.998 > 2 3 F 0.70809594708415 0.45419982293279 0.08260672177319 18.998 > 3 4 F 0.29190405291585 0.95419982293279 0.41739327822681 18.998 > 4 *5 F 0.72026337439039 0.55520250463221 0.54541841380895 18.998 > 5 6 F 0.27973662560961 0.05520250463221 0.95458158619105 18.998 > 6 7 F 0.27973662560961 0.44479749536779 0.45458158619105 18.998 > 7 8 F 0.72026337439039 0.94479749536779 0.04541841380895 18.998 > 8 *9 F 0.47773167628468 0.22762631608926 0.85921444463622 18.998 > 9 10 F 0.52226832371532 0.72762631608926 0.64078555536378 18.998 > 10 11 F 0.52226832371532 0.77237368391074 0.14078555536377 18.998 > 11 12 F 0.47773167628468 0.27237368391074 0.35921444463622 18.998 > 12 *13 F 0.97907586074337 0.24166099910004 0.05442184714850 18.998 > 13 14 F 0.02092413925663 0.74166099910004 0.44557815285150 18.998 > 14 15 F 0.02092413925663 0.75833900089996 0.94557815285150 18.998 > 15 16 F 0.97907586074337 0.25833900089996 0.55442184714850 18.998 > 16 *17 F 0.27134038057191 0.02419036685755 0.64441617796537 18.998 > 17 18 F 0.72865961942809 0.52419036685755 0.85558382203463 18.998 > 18 19 F 0.72865961942809 0.97580963314245 0.35558382203463 18.998 > 19 20 F 0.27134038057191 0.47580963314245 0.14441617796537 18.998 > 20 *21 F 0.25512343400507 0.95741658609992 0.17446722472633 18.998 > 21 22 F 0.74487656599493 0.45741658609992 0.32553277527367 18.998 > 22 23 F 0.74487656599493 0.04258341390008 0.82553277527367 18.998 > 23 24 F 0.25512343400507 0.54258341390008 0.67446722472633 18.998 > 24 *25 F 0.03061156131934 0.58007690696190 0.23440638169927 18.998 > 25 26 F 0.96938843868066 0.08007690696190 0.26559361830073 18.998 > 26 27 F 0.96938843868066 0.41992309303810 0.76559361830073 18.998 > 27 28 F 0.03061156131934 0.91992309303810 0.73440638169927 18.998 > 28 *29 Y 0.18617110179333 0.24212107958287 0.76564029211555 88.906 > 29 30 Y 0.81382889820667 0.74212107958287 0.73435970788445 88.906 > 30 31 Y 0.81382889820667 0.75787892041713 0.23435970788445 88.906 > 31 32 Y 0.18617110179333 0.25787892041713 0.26564029211555 88.906 > 32 *33 Sn 0.72814880512236 0.24340478962840 0.95698301782993 118.710 > 33 34 Sn 0.27185119487764 0.74340478962840 0.54301698217007 118.710 > 34 35 Sn 0.27185119487764 0.75659521037160 0.04301698217007 118.710 > 35 36 Sn 0.72814880512236 0.25659521037160 0.45698301782993 118.710 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.727835000085442 0.000000000000000 0.000000000000000 b 0.000000000000000 11.156611099999999 0.000000000000000 c -5.532649140726156 0.000000000000000 10.590094737388753 Atomic positions (fractional): *1 F 0.14595202645793 0.27290008853360 0.91739327822681 18.998 > 1 2 F 0.64595202645793 0.27290008853360 0.91739327822681 18.998 > 1 3 F 0.14595202645793 0.77290008853360 0.91739327822681 18.998 > 1 4 F 0.64595202645793 0.77290008853360 0.91739327822681 18.998 > 1 5 F 0.35404797354207 0.02290008853360 0.58260672177319 18.998 > 2 6 F 0.85404797354207 0.02290008853360 0.58260672177319 18.998 > 2 7 F 0.35404797354207 0.52290008853360 0.58260672177319 18.998 > 2 8 F 0.85404797354207 0.52290008853360 0.58260672177319 18.998 > 2 9 F 0.35404797354207 0.22709991146640 0.08260672177319 18.998 > 3 10 F 0.85404797354207 0.22709991146640 0.08260672177319 18.998 > 3 11 F 0.35404797354207 0.72709991146640 0.08260672177319 18.998 > 3 12 F 0.85404797354207 0.72709991146640 0.08260672177319 18.998 > 3 13 F 0.14595202645793 0.47709991146640 0.41739327822681 18.998 > 4 14 F 0.64595202645793 0.47709991146640 0.41739327822681 18.998 > 4 15 F 0.14595202645793 0.97709991146640 0.41739327822681 18.998 > 4 16 F 0.64595202645793 0.97709991146640 0.41739327822681 18.998 > 4 *17 F 0.36013168719519 0.27760125231611 0.54541841380895 18.998 > 5 18 F 0.86013168719519 0.27760125231611 0.54541841380895 18.998 > 5 19 F 0.36013168719519 0.77760125231611 0.54541841380895 18.998 > 5 20 F 0.86013168719519 0.77760125231611 0.54541841380895 18.998 > 5 21 F 0.13986831280481 0.02760125231611 0.95458158619105 18.998 > 6 22 F 0.63986831280481 0.02760125231611 0.95458158619105 18.998 > 6 23 F 0.13986831280481 0.52760125231611 0.95458158619105 18.998 > 6 24 F 0.63986831280481 0.52760125231611 0.95458158619105 18.998 > 6 25 F 0.13986831280481 0.22239874768389 0.45458158619105 18.998 > 7 26 F 0.63986831280481 0.22239874768389 0.45458158619105 18.998 > 7 27 F 0.13986831280481 0.72239874768389 0.45458158619105 18.998 > 7 28 F 0.63986831280481 0.72239874768389 0.45458158619105 18.998 > 7 29 F 0.36013168719519 0.47239874768389 0.04541841380895 18.998 > 8 30 F 0.86013168719519 0.47239874768389 0.04541841380895 18.998 > 8 31 F 0.36013168719519 0.97239874768389 0.04541841380895 18.998 > 8 32 F 0.86013168719519 0.97239874768389 0.04541841380895 18.998 > 8 *33 F 0.23886583814234 0.11381315804463 0.85921444463622 18.998 > 9 34 F 0.73886583814234 0.11381315804463 0.85921444463622 18.998 > 9 35 F 0.23886583814234 0.61381315804463 0.85921444463622 18.998 > 9 36 F 0.73886583814234 0.61381315804463 0.85921444463622 18.998 > 9 37 F 0.26113416185766 0.36381315804463 0.64078555536378 18.998 > 10 38 F 0.76113416185766 0.36381315804463 0.64078555536378 18.998 > 10 39 F 0.26113416185766 0.86381315804463 0.64078555536378 18.998 > 10 40 F 0.76113416185766 0.86381315804463 0.64078555536378 18.998 > 10 41 F 0.26113416185766 0.38618684195537 0.14078555536377 18.998 > 11 42 F 0.76113416185766 0.38618684195537 0.14078555536377 18.998 > 11 43 F 0.26113416185766 0.88618684195537 0.14078555536377 18.998 > 11 44 F 0.76113416185766 0.88618684195537 0.14078555536377 18.998 > 11 45 F 0.23886583814234 0.13618684195537 0.35921444463622 18.998 > 12 46 F 0.73886583814234 0.13618684195537 0.35921444463622 18.998 > 12 47 F 0.23886583814234 0.63618684195537 0.35921444463622 18.998 > 12 48 F 0.73886583814234 0.63618684195537 0.35921444463622 18.998 > 12 *49 F 0.48953793037168 0.12083049955002 0.05442184714850 18.998 > 13 50 F 0.98953793037168 0.12083049955002 0.05442184714850 18.998 > 13 51 F 0.48953793037168 0.62083049955002 0.05442184714850 18.998 > 13 52 F 0.98953793037168 0.62083049955002 0.05442184714850 18.998 > 13 53 F 0.01046206962832 0.37083049955002 0.44557815285150 18.998 > 14 54 F 0.51046206962832 0.37083049955002 0.44557815285150 18.998 > 14 55 F 0.01046206962832 0.87083049955002 0.44557815285150 18.998 > 14 56 F 0.51046206962832 0.87083049955002 0.44557815285150 18.998 > 14 57 F 0.01046206962832 0.37916950044998 0.94557815285150 18.998 > 15 58 F 0.51046206962832 0.37916950044998 0.94557815285150 18.998 > 15 59 F 0.01046206962832 0.87916950044998 0.94557815285150 18.998 > 15 60 F 0.51046206962832 0.87916950044998 0.94557815285150 18.998 > 15 61 F 0.48953793037168 0.12916950044998 0.55442184714850 18.998 > 16 62 F 0.98953793037168 0.12916950044998 0.55442184714850 18.998 > 16 63 F 0.48953793037168 0.62916950044998 0.55442184714850 18.998 > 16 64 F 0.98953793037168 0.62916950044998 0.55442184714850 18.998 > 16 *65 F 0.13567019028596 0.01209518342877 0.64441617796537 18.998 > 17 66 F 0.63567019028595 0.01209518342877 0.64441617796537 18.998 > 17 67 F 0.13567019028596 0.51209518342877 0.64441617796537 18.998 > 17 68 F 0.63567019028595 0.51209518342877 0.64441617796537 18.998 > 17 69 F 0.36432980971404 0.26209518342877 0.85558382203463 18.998 > 18 70 F 0.86432980971405 0.26209518342877 0.85558382203463 18.998 > 18 71 F 0.36432980971404 0.76209518342877 0.85558382203463 18.998 > 18 72 F 0.86432980971405 0.76209518342877 0.85558382203463 18.998 > 18 73 F 0.36432980971404 0.48790481657123 0.35558382203463 18.998 > 19 74 F 0.86432980971405 0.48790481657123 0.35558382203463 18.998 > 19 75 F 0.36432980971404 0.98790481657123 0.35558382203463 18.998 > 19 76 F 0.86432980971405 0.98790481657123 0.35558382203463 18.998 > 19 77 F 0.13567019028596 0.23790481657123 0.14441617796537 18.998 > 20 78 F 0.63567019028595 0.23790481657123 0.14441617796537 18.998 > 20 79 F 0.13567019028596 0.73790481657123 0.14441617796537 18.998 > 20 80 F 0.63567019028595 0.73790481657123 0.14441617796537 18.998 > 20 *81 F 0.12756171700253 0.47870829304996 0.17446722472633 18.998 > 21 82 F 0.62756171700253 0.47870829304996 0.17446722472633 18.998 > 21 83 F 0.12756171700253 0.97870829304996 0.17446722472633 18.998 > 21 84 F 0.62756171700253 0.97870829304996 0.17446722472633 18.998 > 21 85 F 0.37243828299747 0.22870829304996 0.32553277527367 18.998 > 22 86 F 0.87243828299747 0.22870829304996 0.32553277527367 18.998 > 22 87 F 0.37243828299747 0.72870829304996 0.32553277527367 18.998 > 22 88 F 0.87243828299747 0.72870829304996 0.32553277527367 18.998 > 22 89 F 0.37243828299747 0.02129170695004 0.82553277527367 18.998 > 23 90 F 0.87243828299747 0.02129170695004 0.82553277527367 18.998 > 23 91 F 0.37243828299747 0.52129170695004 0.82553277527367 18.998 > 23 92 F 0.87243828299747 0.52129170695004 0.82553277527367 18.998 > 23 93 F 0.12756171700253 0.27129170695004 0.67446722472633 18.998 > 24 94 F 0.62756171700253 0.27129170695004 0.67446722472633 18.998 > 24 95 F 0.12756171700253 0.77129170695004 0.67446722472633 18.998 > 24 96 F 0.62756171700253 0.77129170695004 0.67446722472633 18.998 > 24 *97 F 0.01530578065967 0.29003845348095 0.23440638169927 18.998 > 25 98 F 0.51530578065967 0.29003845348095 0.23440638169927 18.998 > 25 99 F 0.01530578065967 0.79003845348095 0.23440638169927 18.998 > 25 100 F 0.51530578065967 0.79003845348095 0.23440638169927 18.998 > 25 101 F 0.48469421934033 0.04003845348095 0.26559361830073 18.998 > 26 102 F 0.98469421934033 0.04003845348095 0.26559361830073 18.998 > 26 103 F 0.48469421934033 0.54003845348095 0.26559361830073 18.998 > 26 104 F 0.98469421934033 0.54003845348095 0.26559361830073 18.998 > 26 105 F 0.48469421934033 0.20996154651905 0.76559361830073 18.998 > 27 106 F 0.98469421934033 0.20996154651905 0.76559361830073 18.998 > 27 107 F 0.48469421934033 0.70996154651905 0.76559361830073 18.998 > 27 108 F 0.98469421934033 0.70996154651905 0.76559361830073 18.998 > 27 109 F 0.01530578065967 0.45996154651905 0.73440638169927 18.998 > 28 110 F 0.51530578065967 0.45996154651905 0.73440638169927 18.998 > 28 111 F 0.01530578065967 0.95996154651905 0.73440638169927 18.998 > 28 112 F 0.51530578065967 0.95996154651905 0.73440638169927 18.998 > 28 *113 Y 0.09308555089667 0.12106053979144 0.76564029211555 88.906 > 29 114 Y 0.59308555089667 0.12106053979144 0.76564029211555 88.906 > 29 115 Y 0.09308555089667 0.62106053979144 0.76564029211555 88.906 > 29 116 Y 0.59308555089667 0.62106053979144 0.76564029211555 88.906 > 29 117 Y 0.40691444910333 0.37106053979144 0.73435970788445 88.906 > 30 118 Y 0.90691444910333 0.37106053979144 0.73435970788445 88.906 > 30 119 Y 0.40691444910333 0.87106053979144 0.73435970788445 88.906 > 30 120 Y 0.90691444910333 0.87106053979144 0.73435970788445 88.906 > 30 121 Y 0.40691444910333 0.37893946020856 0.23435970788445 88.906 > 31 122 Y 0.90691444910333 0.37893946020856 0.23435970788445 88.906 > 31 123 Y 0.40691444910333 0.87893946020856 0.23435970788445 88.906 > 31 124 Y 0.90691444910333 0.87893946020856 0.23435970788445 88.906 > 31 125 Y 0.09308555089667 0.12893946020856 0.26564029211555 88.906 > 32 126 Y 0.59308555089667 0.12893946020856 0.26564029211555 88.906 > 32 127 Y 0.09308555089667 0.62893946020856 0.26564029211555 88.906 > 32 128 Y 0.59308555089667 0.62893946020856 0.26564029211555 88.906 > 32 *129 Sn 0.36407440256118 0.12170239481420 0.95698301782993 118.710 > 33 130 Sn 0.86407440256118 0.12170239481420 0.95698301782993 118.710 > 33 131 Sn 0.36407440256118 0.62170239481420 0.95698301782993 118.710 > 33 132 Sn 0.86407440256118 0.62170239481420 0.95698301782993 118.710 > 33 133 Sn 0.13592559743882 0.37170239481420 0.54301698217007 118.710 > 34 134 Sn 0.63592559743882 0.37170239481420 0.54301698217007 118.710 > 34 135 Sn 0.13592559743882 0.87170239481420 0.54301698217007 118.710 > 34 136 Sn 0.63592559743882 0.87170239481420 0.54301698217007 118.710 > 34 137 Sn 0.13592559743882 0.37829760518580 0.04301698217007 118.710 > 35 138 Sn 0.63592559743882 0.37829760518580 0.04301698217007 118.710 > 35 139 Sn 0.13592559743882 0.87829760518580 0.04301698217007 118.710 > 35 140 Sn 0.63592559743882 0.87829760518580 0.04301698217007 118.710 > 35 141 Sn 0.36407440256118 0.12829760518580 0.45698301782993 118.710 > 36 142 Sn 0.86407440256118 0.12829760518580 0.45698301782993 118.710 > 36 143 Sn 0.36407440256118 0.62829760518580 0.45698301782993 118.710 > 36 144 Sn 0.86407440256118 0.62829760518580 0.45698301782993 118.710 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3083770 0.0000000 0.0103239 0.0000000 2.3034876 0.0000000 0.0103175 0.0000000 2.3037741 -------------------------- Born effective charges -------------------------- 1 F -0.7424055 0.1671857 0.1558004 0.1706211 -1.2189696 -0.5557010 0.1338889 -0.5476565 -1.2337925 2 F -0.7424055 -0.1671857 0.1558004 -0.1706211 -1.2189696 0.5557010 0.1338889 0.5476565 -1.2337925 3 F -0.7424055 0.1671857 0.1558004 0.1706211 -1.2189696 -0.5557010 0.1338889 -0.5476565 -1.2337925 4 F -0.7424055 -0.1671857 0.1558004 -0.1706211 -1.2189696 0.5557010 0.1338889 0.5476565 -1.2337925 5 F -0.7082968 0.1773941 0.1385782 0.1736754 -1.2421991 -0.5766453 0.1215986 -0.5483553 -1.2941712 6 F -0.7082968 -0.1773941 0.1385782 -0.1736754 -1.2421991 0.5766453 0.1215986 0.5483553 -1.2941712 7 F -0.7082968 0.1773941 0.1385782 0.1736754 -1.2421991 -0.5766453 0.1215986 -0.5483553 -1.2941712 8 F -0.7082968 -0.1773941 0.1385782 -0.1736754 -1.2421991 0.5766453 0.1215986 0.5483553 -1.2941712 9 F -1.7961027 -0.0125218 -0.6089349 -0.0003542 -0.6551959 -0.0140752 -0.5999784 -0.0004997 -0.9962823 10 F -1.7961027 0.0125218 -0.6089349 0.0003542 -0.6551959 0.0140752 -0.5999784 0.0004997 -0.9962823 11 F -1.7961027 -0.0125218 -0.6089349 -0.0003542 -0.6551959 -0.0140752 -0.5999784 -0.0004997 -0.9962823 12 F -1.7961027 0.0125218 -0.6089349 0.0003542 -0.6551959 0.0140752 -0.5999784 0.0004997 -0.9962823 13 F -1.0386351 0.0095271 -0.4010346 -0.0259265 -0.6701850 -0.0354210 -0.3993996 -0.0070972 -1.3199353 14 F -1.0386351 -0.0095271 -0.4010346 0.0259265 -0.6701850 0.0354210 -0.3993996 0.0070972 -1.3199353 15 F -1.0386351 0.0095271 -0.4010346 -0.0259265 -0.6701850 -0.0354210 -0.3993996 -0.0070972 -1.3199353 16 F -1.0386351 -0.0095271 -0.4010346 0.0259265 -0.6701850 0.0354210 -0.3993996 0.0070972 -1.3199353 17 F -0.9875829 0.4174114 0.3529610 0.4210511 -1.2673246 -0.5140168 0.3417466 -0.4815251 -1.0794508 18 F -0.9875829 -0.4174114 0.3529610 -0.4210511 -1.2673246 0.5140168 0.3417466 0.4815251 -1.0794508 19 F -0.9875829 0.4174114 0.3529610 0.4210511 -1.2673246 -0.5140168 0.3417466 -0.4815251 -1.0794508 20 F -0.9875829 -0.4174114 0.3529610 -0.4210511 -1.2673246 0.5140168 0.3417466 0.4815251 -1.0794508 21 F -0.9985591 0.4596400 0.3864460 0.4508374 -1.2943432 -0.5159474 0.3848973 -0.5171629 -1.1322124 22 F -0.9985591 -0.4596400 0.3864460 -0.4508374 -1.2943432 0.5159474 0.3848973 0.5171629 -1.1322124 23 F -0.9985591 0.4596400 0.3864460 0.4508374 -1.2943432 -0.5159474 0.3848973 -0.5171629 -1.1322124 24 F -0.9985591 -0.4596400 0.3864460 -0.4508374 -1.2943432 0.5159474 0.3848973 0.5171629 -1.1322124 25 F -1.4658374 0.6692768 -0.0842526 0.7179619 -1.4094957 0.0493475 -0.0397862 0.0165751 -0.7427046 26 F -1.4658374 -0.6692768 -0.0842526 -0.7179619 -1.4094957 -0.0493475 -0.0397862 -0.0165751 -0.7427046 27 F -1.4658374 0.6692768 -0.0842526 0.7179619 -1.4094957 0.0493475 -0.0397862 0.0165751 -0.7427046 28 F -1.4658374 -0.6692768 -0.0842526 -0.7179619 -1.4094957 -0.0493475 -0.0397862 -0.0165751 -0.7427046 29 Y 3.9564805 0.1339935 0.0904787 -0.0694061 3.9363919 0.0307977 0.0130535 0.0085314 3.8573644 30 Y 3.9564805 -0.1339935 0.0904787 0.0694061 3.9363919 -0.0307977 0.0130535 -0.0085314 3.8573644 31 Y 3.9564805 0.1339935 0.0904787 -0.0694061 3.9363919 0.0307977 0.0130535 0.0085314 3.8573644 32 Y 3.9564805 -0.1339935 0.0904787 0.0694061 3.9363919 -0.0307977 0.0130535 -0.0085314 3.8573644 33 Sn 3.7809390 0.0593476 -0.0300423 -0.0722536 3.8213211 0.0949173 0.0439795 -0.1121878 3.9411847 34 Sn 3.7809390 -0.0593476 -0.0300423 0.0722536 3.8213211 -0.0949173 0.0439795 0.1121878 3.9411847 35 Sn 3.7809390 0.0593476 -0.0300423 -0.0722536 3.8213211 0.0949173 0.0439795 -0.1121878 3.9411847 36 Sn 3.7809390 -0.0593476 -0.0300423 0.0722536 3.8213211 -0.0949173 0.0439795 0.1121878 3.9411847 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.161 Solver_block: 200 / 1120 - Time: 2.318 Solver_block: 300 / 1120 - Time: 2.035 Solver_block: 400 / 1120 - Time: 1.915 Solver_block: 500 / 1120 - Time: 1.962 Solver_block: 600 / 1120 - Time: 2.197 Solver_block: 700 / 1120 - Time: 2.237 Solver_block: 800 / 1120 - Time: 2.051 Solver_block: 900 / 1120 - Time: 1.938 Solver_block: 1000 / 1120 - Time: 2.012 Solver_block: 1100 / 1120 - Time: 2.760 Solver_block: 1120 / 1120 - Time: 0.540 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.006 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:12:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:12:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.863917500042721 0.000000000000000 0.000000000000000 b 0.000000000000000 5.578305550000000 0.000000000000000 c -5.532649140726156 0.000000000000000 10.590094737388753 Atomic positions (fractional): 1 F 0.29190405291585 0.54580017706721 0.91739327822681 18.998 2 F 0.70809594708415 0.04580017706721 0.58260672177319 18.998 3 F 0.70809594708415 0.45419982293279 0.08260672177319 18.998 4 F 0.29190405291585 0.95419982293279 0.41739327822681 18.998 5 F 0.72026337439039 0.55520250463221 0.54541841380895 18.998 6 F 0.27973662560961 0.05520250463221 0.95458158619105 18.998 7 F 0.27973662560961 0.44479749536779 0.45458158619105 18.998 8 F 0.72026337439039 0.94479749536779 0.04541841380895 18.998 9 F 0.47773167628468 0.22762631608926 0.85921444463622 18.998 10 F 0.52226832371532 0.72762631608926 0.64078555536378 18.998 11 F 0.52226832371532 0.77237368391074 0.14078555536377 18.998 12 F 0.47773167628468 0.27237368391074 0.35921444463622 18.998 13 F 0.97907586074337 0.24166099910004 0.05442184714850 18.998 14 F 0.02092413925663 0.74166099910004 0.44557815285150 18.998 15 F 0.02092413925663 0.75833900089996 0.94557815285150 18.998 16 F 0.97907586074337 0.25833900089996 0.55442184714850 18.998 17 F 0.27134038057191 0.02419036685755 0.64441617796537 18.998 18 F 0.72865961942809 0.52419036685755 0.85558382203463 18.998 19 F 0.72865961942809 0.97580963314245 0.35558382203463 18.998 20 F 0.27134038057191 0.47580963314245 0.14441617796537 18.998 21 F 0.25512343400507 0.95741658609992 0.17446722472633 18.998 22 F 0.74487656599493 0.45741658609992 0.32553277527367 18.998 23 F 0.74487656599493 0.04258341390008 0.82553277527367 18.998 24 F 0.25512343400507 0.54258341390008 0.67446722472633 18.998 25 F 0.03061156131934 0.58007690696190 0.23440638169927 18.998 26 F 0.96938843868066 0.08007690696190 0.26559361830073 18.998 27 F 0.96938843868066 0.41992309303810 0.76559361830073 18.998 28 F 0.03061156131934 0.91992309303810 0.73440638169927 18.998 29 Y 0.18617110179333 0.24212107958287 0.76564029211555 88.906 30 Y 0.81382889820667 0.74212107958287 0.73435970788445 88.906 31 Y 0.81382889820667 0.75787892041713 0.23435970788445 88.906 32 Y 0.18617110179333 0.25787892041713 0.26564029211555 88.906 33 Sn 0.72814880512236 0.24340478962840 0.95698301782993 118.710 34 Sn 0.27185119487764 0.74340478962840 0.54301698217007 118.710 35 Sn 0.27185119487764 0.75659521037160 0.04301698217007 118.710 36 Sn 0.72814880512236 0.25659521037160 0.45698301782993 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.727835000085442 0.000000000000000 0.000000000000000 b 0.000000000000000 11.156611099999999 0.000000000000000 c -5.532649140726156 0.000000000000000 10.590094737388753 Atomic positions (fractional): 1 F 0.14595202645793 0.27290008853360 0.91739327822681 18.998 > 1 2 F 0.64595202645793 0.27290008853360 0.91739327822681 18.998 > 1 3 F 0.14595202645793 0.77290008853360 0.91739327822681 18.998 > 1 4 F 0.64595202645793 0.77290008853360 0.91739327822681 18.998 > 1 5 F 0.35404797354207 0.02290008853360 0.58260672177319 18.998 > 5 6 F 0.85404797354207 0.02290008853360 0.58260672177319 18.998 > 5 7 F 0.35404797354207 0.52290008853360 0.58260672177319 18.998 > 5 8 F 0.85404797354207 0.52290008853360 0.58260672177319 18.998 > 5 9 F 0.35404797354207 0.22709991146640 0.08260672177319 18.998 > 9 10 F 0.85404797354207 0.22709991146640 0.08260672177319 18.998 > 9 11 F 0.35404797354207 0.72709991146640 0.08260672177319 18.998 > 9 12 F 0.85404797354207 0.72709991146640 0.08260672177319 18.998 > 9 13 F 0.14595202645793 0.47709991146640 0.41739327822681 18.998 > 13 14 F 0.64595202645793 0.47709991146640 0.41739327822681 18.998 > 13 15 F 0.14595202645793 0.97709991146640 0.41739327822681 18.998 > 13 16 F 0.64595202645793 0.97709991146640 0.41739327822681 18.998 > 13 17 F 0.36013168719519 0.27760125231611 0.54541841380895 18.998 > 17 18 F 0.86013168719519 0.27760125231611 0.54541841380895 18.998 > 17 19 F 0.36013168719519 0.77760125231611 0.54541841380895 18.998 > 17 20 F 0.86013168719519 0.77760125231611 0.54541841380895 18.998 > 17 21 F 0.13986831280481 0.02760125231611 0.95458158619105 18.998 > 21 22 F 0.63986831280481 0.02760125231611 0.95458158619105 18.998 > 21 23 F 0.13986831280481 0.52760125231611 0.95458158619105 18.998 > 21 24 F 0.63986831280481 0.52760125231611 0.95458158619105 18.998 > 21 25 F 0.13986831280481 0.22239874768389 0.45458158619105 18.998 > 25 26 F 0.63986831280481 0.22239874768389 0.45458158619105 18.998 > 25 27 F 0.13986831280481 0.72239874768389 0.45458158619105 18.998 > 25 28 F 0.63986831280481 0.72239874768389 0.45458158619105 18.998 > 25 29 F 0.36013168719519 0.47239874768389 0.04541841380895 18.998 > 29 30 F 0.86013168719519 0.47239874768389 0.04541841380895 18.998 > 29 31 F 0.36013168719519 0.97239874768389 0.04541841380895 18.998 > 29 32 F 0.86013168719519 0.97239874768389 0.04541841380895 18.998 > 29 33 F 0.23886583814234 0.11381315804463 0.85921444463622 18.998 > 33 34 F 0.73886583814234 0.11381315804463 0.85921444463622 18.998 > 33 35 F 0.23886583814234 0.61381315804463 0.85921444463622 18.998 > 33 36 F 0.73886583814234 0.61381315804463 0.85921444463622 18.998 > 33 37 F 0.26113416185766 0.36381315804463 0.64078555536378 18.998 > 37 38 F 0.76113416185766 0.36381315804463 0.64078555536378 18.998 > 37 39 F 0.26113416185766 0.86381315804463 0.64078555536378 18.998 > 37 40 F 0.76113416185766 0.86381315804463 0.64078555536378 18.998 > 37 41 F 0.26113416185766 0.38618684195537 0.14078555536377 18.998 > 41 42 F 0.76113416185766 0.38618684195537 0.14078555536377 18.998 > 41 43 F 0.26113416185766 0.88618684195537 0.14078555536377 18.998 > 41 44 F 0.76113416185766 0.88618684195537 0.14078555536377 18.998 > 41 45 F 0.23886583814234 0.13618684195537 0.35921444463622 18.998 > 45 46 F 0.73886583814234 0.13618684195537 0.35921444463622 18.998 > 45 47 F 0.23886583814234 0.63618684195537 0.35921444463622 18.998 > 45 48 F 0.73886583814234 0.63618684195537 0.35921444463622 18.998 > 45 49 F 0.48953793037168 0.12083049955002 0.05442184714850 18.998 > 49 50 F 0.98953793037168 0.12083049955002 0.05442184714850 18.998 > 49 51 F 0.48953793037168 0.62083049955002 0.05442184714850 18.998 > 49 52 F 0.98953793037168 0.62083049955002 0.05442184714850 18.998 > 49 53 F 0.01046206962832 0.37083049955002 0.44557815285150 18.998 > 53 54 F 0.51046206962832 0.37083049955002 0.44557815285150 18.998 > 53 55 F 0.01046206962832 0.87083049955002 0.44557815285150 18.998 > 53 56 F 0.51046206962832 0.87083049955002 0.44557815285150 18.998 > 53 57 F 0.01046206962832 0.37916950044998 0.94557815285150 18.998 > 57 58 F 0.51046206962832 0.37916950044998 0.94557815285150 18.998 > 57 59 F 0.01046206962832 0.87916950044998 0.94557815285150 18.998 > 57 60 F 0.51046206962832 0.87916950044998 0.94557815285150 18.998 > 57 61 F 0.48953793037168 0.12916950044998 0.55442184714850 18.998 > 61 62 F 0.98953793037168 0.12916950044998 0.55442184714850 18.998 > 61 63 F 0.48953793037168 0.62916950044998 0.55442184714850 18.998 > 61 64 F 0.98953793037168 0.62916950044998 0.55442184714850 18.998 > 61 65 F 0.13567019028596 0.01209518342877 0.64441617796537 18.998 > 65 66 F 0.63567019028595 0.01209518342877 0.64441617796537 18.998 > 65 67 F 0.13567019028596 0.51209518342877 0.64441617796537 18.998 > 65 68 F 0.63567019028595 0.51209518342877 0.64441617796537 18.998 > 65 69 F 0.36432980971404 0.26209518342877 0.85558382203463 18.998 > 69 70 F 0.86432980971405 0.26209518342877 0.85558382203463 18.998 > 69 71 F 0.36432980971404 0.76209518342877 0.85558382203463 18.998 > 69 72 F 0.86432980971405 0.76209518342877 0.85558382203463 18.998 > 69 73 F 0.36432980971404 0.48790481657123 0.35558382203463 18.998 > 73 74 F 0.86432980971405 0.48790481657123 0.35558382203463 18.998 > 73 75 F 0.36432980971404 0.98790481657123 0.35558382203463 18.998 > 73 76 F 0.86432980971405 0.98790481657123 0.35558382203463 18.998 > 73 77 F 0.13567019028596 0.23790481657123 0.14441617796537 18.998 > 77 78 F 0.63567019028595 0.23790481657123 0.14441617796537 18.998 > 77 79 F 0.13567019028596 0.73790481657123 0.14441617796537 18.998 > 77 80 F 0.63567019028595 0.73790481657123 0.14441617796537 18.998 > 77 81 F 0.12756171700253 0.47870829304996 0.17446722472633 18.998 > 81 82 F 0.62756171700253 0.47870829304996 0.17446722472633 18.998 > 81 83 F 0.12756171700253 0.97870829304996 0.17446722472633 18.998 > 81 84 F 0.62756171700253 0.97870829304996 0.17446722472633 18.998 > 81 85 F 0.37243828299747 0.22870829304996 0.32553277527367 18.998 > 85 86 F 0.87243828299747 0.22870829304996 0.32553277527367 18.998 > 85 87 F 0.37243828299747 0.72870829304996 0.32553277527367 18.998 > 85 88 F 0.87243828299747 0.72870829304996 0.32553277527367 18.998 > 85 89 F 0.37243828299747 0.02129170695004 0.82553277527367 18.998 > 89 90 F 0.87243828299747 0.02129170695004 0.82553277527367 18.998 > 89 91 F 0.37243828299747 0.52129170695004 0.82553277527367 18.998 > 89 92 F 0.87243828299747 0.52129170695004 0.82553277527367 18.998 > 89 93 F 0.12756171700253 0.27129170695004 0.67446722472633 18.998 > 93 94 F 0.62756171700253 0.27129170695004 0.67446722472633 18.998 > 93 95 F 0.12756171700253 0.77129170695004 0.67446722472633 18.998 > 93 96 F 0.62756171700253 0.77129170695004 0.67446722472633 18.998 > 93 97 F 0.01530578065967 0.29003845348095 0.23440638169927 18.998 > 97 98 F 0.51530578065967 0.29003845348095 0.23440638169927 18.998 > 97 99 F 0.01530578065967 0.79003845348095 0.23440638169927 18.998 > 97 100 F 0.51530578065967 0.79003845348095 0.23440638169927 18.998 > 97 101 F 0.48469421934033 0.04003845348095 0.26559361830073 18.998 > 101 102 F 0.98469421934033 0.04003845348095 0.26559361830073 18.998 > 101 103 F 0.48469421934033 0.54003845348095 0.26559361830073 18.998 > 101 104 F 0.98469421934033 0.54003845348095 0.26559361830073 18.998 > 101 105 F 0.48469421934033 0.20996154651905 0.76559361830073 18.998 > 105 106 F 0.98469421934033 0.20996154651905 0.76559361830073 18.998 > 105 107 F 0.48469421934033 0.70996154651905 0.76559361830073 18.998 > 105 108 F 0.98469421934033 0.70996154651905 0.76559361830073 18.998 > 105 109 F 0.01530578065967 0.45996154651905 0.73440638169927 18.998 > 109 110 F 0.51530578065967 0.45996154651905 0.73440638169927 18.998 > 109 111 F 0.01530578065967 0.95996154651905 0.73440638169927 18.998 > 109 112 F 0.51530578065967 0.95996154651905 0.73440638169927 18.998 > 109 113 Y 0.09308555089667 0.12106053979144 0.76564029211555 88.906 > 113 114 Y 0.59308555089667 0.12106053979144 0.76564029211555 88.906 > 113 115 Y 0.09308555089667 0.62106053979144 0.76564029211555 88.906 > 113 116 Y 0.59308555089667 0.62106053979144 0.76564029211555 88.906 > 113 117 Y 0.40691444910333 0.37106053979144 0.73435970788445 88.906 > 117 118 Y 0.90691444910333 0.37106053979144 0.73435970788445 88.906 > 117 119 Y 0.40691444910333 0.87106053979144 0.73435970788445 88.906 > 117 120 Y 0.90691444910333 0.87106053979144 0.73435970788445 88.906 > 117 121 Y 0.40691444910333 0.37893946020856 0.23435970788445 88.906 > 121 122 Y 0.90691444910333 0.37893946020856 0.23435970788445 88.906 > 121 123 Y 0.40691444910333 0.87893946020856 0.23435970788445 88.906 > 121 124 Y 0.90691444910333 0.87893946020856 0.23435970788445 88.906 > 121 125 Y 0.09308555089667 0.12893946020856 0.26564029211555 88.906 > 125 126 Y 0.59308555089667 0.12893946020856 0.26564029211555 88.906 > 125 127 Y 0.09308555089667 0.62893946020856 0.26564029211555 88.906 > 125 128 Y 0.59308555089667 0.62893946020856 0.26564029211555 88.906 > 125 129 Sn 0.36407440256118 0.12170239481420 0.95698301782993 118.710 > 129 130 Sn 0.86407440256118 0.12170239481420 0.95698301782993 118.710 > 129 131 Sn 0.36407440256118 0.62170239481420 0.95698301782993 118.710 > 129 132 Sn 0.86407440256118 0.62170239481420 0.95698301782993 118.710 > 129 133 Sn 0.13592559743882 0.37170239481420 0.54301698217007 118.710 > 133 134 Sn 0.63592559743882 0.37170239481420 0.54301698217007 118.710 > 133 135 Sn 0.13592559743882 0.87170239481420 0.54301698217007 118.710 > 133 136 Sn 0.63592559743882 0.87170239481420 0.54301698217007 118.710 > 133 137 Sn 0.13592559743882 0.37829760518580 0.04301698217007 118.710 > 137 138 Sn 0.63592559743882 0.37829760518580 0.04301698217007 118.710 > 137 139 Sn 0.13592559743882 0.87829760518580 0.04301698217007 118.710 > 137 140 Sn 0.63592559743882 0.87829760518580 0.04301698217007 118.710 > 137 141 Sn 0.36407440256118 0.12829760518580 0.45698301782993 118.710 > 141 142 Sn 0.86407440256118 0.12829760518580 0.45698301782993 118.710 > 141 143 Sn 0.36407440256118 0.62829760518580 0.45698301782993 118.710 > 141 144 Sn 0.86407440256118 0.62829760518580 0.45698301782993 118.710 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3083770 0.0000000 0.0103239 0.0000000 2.3034876 0.0000000 0.0103175 0.0000000 2.3037741 -------------------------- Born effective charges -------------------------- 1 F -0.7424055 0.1671857 0.1558004 0.1706211 -1.2189696 -0.5557010 0.1338889 -0.5476565 -1.2337925 2 F -0.7424055 -0.1671857 0.1558004 -0.1706211 -1.2189696 0.5557010 0.1338889 0.5476565 -1.2337925 3 F -0.7424055 0.1671857 0.1558004 0.1706211 -1.2189696 -0.5557010 0.1338889 -0.5476565 -1.2337925 4 F -0.7424055 -0.1671857 0.1558004 -0.1706211 -1.2189696 0.5557010 0.1338889 0.5476565 -1.2337925 5 F -0.7082968 0.1773941 0.1385782 0.1736754 -1.2421991 -0.5766453 0.1215986 -0.5483553 -1.2941712 6 F -0.7082968 -0.1773941 0.1385782 -0.1736754 -1.2421991 0.5766453 0.1215986 0.5483553 -1.2941712 7 F -0.7082968 0.1773941 0.1385782 0.1736754 -1.2421991 -0.5766453 0.1215986 -0.5483553 -1.2941712 8 F -0.7082968 -0.1773941 0.1385782 -0.1736754 -1.2421991 0.5766453 0.1215986 0.5483553 -1.2941712 9 F -1.7961027 -0.0125218 -0.6089349 -0.0003542 -0.6551959 -0.0140752 -0.5999784 -0.0004997 -0.9962823 10 F -1.7961027 0.0125218 -0.6089349 0.0003542 -0.6551959 0.0140752 -0.5999784 0.0004997 -0.9962823 11 F -1.7961027 -0.0125218 -0.6089349 -0.0003542 -0.6551959 -0.0140752 -0.5999784 -0.0004997 -0.9962823 12 F -1.7961027 0.0125218 -0.6089349 0.0003542 -0.6551959 0.0140752 -0.5999784 0.0004997 -0.9962823 13 F -1.0386351 0.0095271 -0.4010346 -0.0259265 -0.6701850 -0.0354210 -0.3993996 -0.0070972 -1.3199353 14 F -1.0386351 -0.0095271 -0.4010346 0.0259265 -0.6701850 0.0354210 -0.3993996 0.0070972 -1.3199353 15 F -1.0386351 0.0095271 -0.4010346 -0.0259265 -0.6701850 -0.0354210 -0.3993996 -0.0070972 -1.3199353 16 F -1.0386351 -0.0095271 -0.4010346 0.0259265 -0.6701850 0.0354210 -0.3993996 0.0070972 -1.3199353 17 F -0.9875829 0.4174114 0.3529610 0.4210511 -1.2673246 -0.5140168 0.3417466 -0.4815251 -1.0794508 18 F -0.9875829 -0.4174114 0.3529610 -0.4210511 -1.2673246 0.5140168 0.3417466 0.4815251 -1.0794508 19 F -0.9875829 0.4174114 0.3529610 0.4210511 -1.2673246 -0.5140168 0.3417466 -0.4815251 -1.0794508 20 F -0.9875829 -0.4174114 0.3529610 -0.4210511 -1.2673246 0.5140168 0.3417466 0.4815251 -1.0794508 21 F -0.9985591 0.4596400 0.3864460 0.4508374 -1.2943432 -0.5159474 0.3848973 -0.5171629 -1.1322124 22 F -0.9985591 -0.4596400 0.3864460 -0.4508374 -1.2943432 0.5159474 0.3848973 0.5171629 -1.1322124 23 F -0.9985591 0.4596400 0.3864460 0.4508374 -1.2943432 -0.5159474 0.3848973 -0.5171629 -1.1322124 24 F -0.9985591 -0.4596400 0.3864460 -0.4508374 -1.2943432 0.5159474 0.3848973 0.5171629 -1.1322124 25 F -1.4658374 0.6692768 -0.0842526 0.7179619 -1.4094957 0.0493475 -0.0397862 0.0165751 -0.7427046 26 F -1.4658374 -0.6692768 -0.0842526 -0.7179619 -1.4094957 -0.0493475 -0.0397862 -0.0165751 -0.7427046 27 F -1.4658374 0.6692768 -0.0842526 0.7179619 -1.4094957 0.0493475 -0.0397862 0.0165751 -0.7427046 28 F -1.4658374 -0.6692768 -0.0842526 -0.7179619 -1.4094957 -0.0493475 -0.0397862 -0.0165751 -0.7427046 29 Y 3.9564805 0.1339935 0.0904787 -0.0694061 3.9363919 0.0307977 0.0130535 0.0085314 3.8573644 30 Y 3.9564805 -0.1339935 0.0904787 0.0694061 3.9363919 -0.0307977 0.0130535 -0.0085314 3.8573644 31 Y 3.9564805 0.1339935 0.0904787 -0.0694061 3.9363919 0.0307977 0.0130535 0.0085314 3.8573644 32 Y 3.9564805 -0.1339935 0.0904787 0.0694061 3.9363919 -0.0307977 0.0130535 -0.0085314 3.8573644 33 Sn 3.7809390 0.0593476 -0.0300423 -0.0722536 3.8213211 0.0949173 0.0439795 -0.1121878 3.9411847 34 Sn 3.7809390 -0.0593476 -0.0300423 0.0722536 3.8213211 -0.0949173 0.0439795 0.1121878 3.9411847 35 Sn 3.7809390 0.0593476 -0.0300423 -0.0722536 3.8213211 0.0949173 0.0439795 -0.1121878 3.9411847 36 Sn 3.7809390 -0.0593476 -0.0300423 0.0722536 3.8213211 -0.0949173 0.0439795 0.1121878 3.9411847 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:13:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:13:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.863917500042721 0.000000000000000 0.000000000000000 b 0.000000000000000 5.578305550000000 0.000000000000000 c -5.532649140726156 0.000000000000000 10.590094737388753 Atomic positions (fractional): 1 F 0.29190405291585 0.54580017706721 0.91739327822681 18.998 2 F 0.70809594708415 0.04580017706721 0.58260672177319 18.998 3 F 0.70809594708415 0.45419982293279 0.08260672177319 18.998 4 F 0.29190405291585 0.95419982293279 0.41739327822681 18.998 5 F 0.72026337439039 0.55520250463221 0.54541841380895 18.998 6 F 0.27973662560961 0.05520250463221 0.95458158619105 18.998 7 F 0.27973662560961 0.44479749536779 0.45458158619105 18.998 8 F 0.72026337439039 0.94479749536779 0.04541841380895 18.998 9 F 0.47773167628468 0.22762631608926 0.85921444463622 18.998 10 F 0.52226832371532 0.72762631608926 0.64078555536378 18.998 11 F 0.52226832371532 0.77237368391074 0.14078555536377 18.998 12 F 0.47773167628468 0.27237368391074 0.35921444463622 18.998 13 F 0.97907586074337 0.24166099910004 0.05442184714850 18.998 14 F 0.02092413925663 0.74166099910004 0.44557815285150 18.998 15 F 0.02092413925663 0.75833900089996 0.94557815285150 18.998 16 F 0.97907586074337 0.25833900089996 0.55442184714850 18.998 17 F 0.27134038057191 0.02419036685755 0.64441617796537 18.998 18 F 0.72865961942809 0.52419036685755 0.85558382203463 18.998 19 F 0.72865961942809 0.97580963314245 0.35558382203463 18.998 20 F 0.27134038057191 0.47580963314245 0.14441617796537 18.998 21 F 0.25512343400507 0.95741658609992 0.17446722472633 18.998 22 F 0.74487656599493 0.45741658609992 0.32553277527367 18.998 23 F 0.74487656599493 0.04258341390008 0.82553277527367 18.998 24 F 0.25512343400507 0.54258341390008 0.67446722472633 18.998 25 F 0.03061156131934 0.58007690696190 0.23440638169927 18.998 26 F 0.96938843868066 0.08007690696190 0.26559361830073 18.998 27 F 0.96938843868066 0.41992309303810 0.76559361830073 18.998 28 F 0.03061156131934 0.91992309303810 0.73440638169927 18.998 29 Y 0.18617110179333 0.24212107958287 0.76564029211555 88.906 30 Y 0.81382889820667 0.74212107958287 0.73435970788445 88.906 31 Y 0.81382889820667 0.75787892041713 0.23435970788445 88.906 32 Y 0.18617110179333 0.25787892041713 0.26564029211555 88.906 33 Sn 0.72814880512236 0.24340478962840 0.95698301782993 118.710 34 Sn 0.27185119487764 0.74340478962840 0.54301698217007 118.710 35 Sn 0.27185119487764 0.75659521037160 0.04301698217007 118.710 36 Sn 0.72814880512236 0.25659521037160 0.45698301782993 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.727835000085442 0.000000000000000 0.000000000000000 b 0.000000000000000 11.156611099999999 0.000000000000000 c -5.532649140726156 0.000000000000000 10.590094737388753 Atomic positions (fractional): 1 F 0.14595202645793 0.27290008853360 0.91739327822681 18.998 > 1 2 F 0.64595202645793 0.27290008853360 0.91739327822681 18.998 > 1 3 F 0.14595202645793 0.77290008853360 0.91739327822681 18.998 > 1 4 F 0.64595202645793 0.77290008853360 0.91739327822681 18.998 > 1 5 F 0.35404797354207 0.02290008853360 0.58260672177319 18.998 > 5 6 F 0.85404797354207 0.02290008853360 0.58260672177319 18.998 > 5 7 F 0.35404797354207 0.52290008853360 0.58260672177319 18.998 > 5 8 F 0.85404797354207 0.52290008853360 0.58260672177319 18.998 > 5 9 F 0.35404797354207 0.22709991146640 0.08260672177319 18.998 > 9 10 F 0.85404797354207 0.22709991146640 0.08260672177319 18.998 > 9 11 F 0.35404797354207 0.72709991146640 0.08260672177319 18.998 > 9 12 F 0.85404797354207 0.72709991146640 0.08260672177319 18.998 > 9 13 F 0.14595202645793 0.47709991146640 0.41739327822681 18.998 > 13 14 F 0.64595202645793 0.47709991146640 0.41739327822681 18.998 > 13 15 F 0.14595202645793 0.97709991146640 0.41739327822681 18.998 > 13 16 F 0.64595202645793 0.97709991146640 0.41739327822681 18.998 > 13 17 F 0.36013168719519 0.27760125231611 0.54541841380895 18.998 > 17 18 F 0.86013168719519 0.27760125231611 0.54541841380895 18.998 > 17 19 F 0.36013168719519 0.77760125231611 0.54541841380895 18.998 > 17 20 F 0.86013168719519 0.77760125231611 0.54541841380895 18.998 > 17 21 F 0.13986831280481 0.02760125231611 0.95458158619105 18.998 > 21 22 F 0.63986831280481 0.02760125231611 0.95458158619105 18.998 > 21 23 F 0.13986831280481 0.52760125231611 0.95458158619105 18.998 > 21 24 F 0.63986831280481 0.52760125231611 0.95458158619105 18.998 > 21 25 F 0.13986831280481 0.22239874768389 0.45458158619105 18.998 > 25 26 F 0.63986831280481 0.22239874768389 0.45458158619105 18.998 > 25 27 F 0.13986831280481 0.72239874768389 0.45458158619105 18.998 > 25 28 F 0.63986831280481 0.72239874768389 0.45458158619105 18.998 > 25 29 F 0.36013168719519 0.47239874768389 0.04541841380895 18.998 > 29 30 F 0.86013168719519 0.47239874768389 0.04541841380895 18.998 > 29 31 F 0.36013168719519 0.97239874768389 0.04541841380895 18.998 > 29 32 F 0.86013168719519 0.97239874768389 0.04541841380895 18.998 > 29 33 F 0.23886583814234 0.11381315804463 0.85921444463622 18.998 > 33 34 F 0.73886583814234 0.11381315804463 0.85921444463622 18.998 > 33 35 F 0.23886583814234 0.61381315804463 0.85921444463622 18.998 > 33 36 F 0.73886583814234 0.61381315804463 0.85921444463622 18.998 > 33 37 F 0.26113416185766 0.36381315804463 0.64078555536378 18.998 > 37 38 F 0.76113416185766 0.36381315804463 0.64078555536378 18.998 > 37 39 F 0.26113416185766 0.86381315804463 0.64078555536378 18.998 > 37 40 F 0.76113416185766 0.86381315804463 0.64078555536378 18.998 > 37 41 F 0.26113416185766 0.38618684195537 0.14078555536377 18.998 > 41 42 F 0.76113416185766 0.38618684195537 0.14078555536377 18.998 > 41 43 F 0.26113416185766 0.88618684195537 0.14078555536377 18.998 > 41 44 F 0.76113416185766 0.88618684195537 0.14078555536377 18.998 > 41 45 F 0.23886583814234 0.13618684195537 0.35921444463622 18.998 > 45 46 F 0.73886583814234 0.13618684195537 0.35921444463622 18.998 > 45 47 F 0.23886583814234 0.63618684195537 0.35921444463622 18.998 > 45 48 F 0.73886583814234 0.63618684195537 0.35921444463622 18.998 > 45 49 F 0.48953793037168 0.12083049955002 0.05442184714850 18.998 > 49 50 F 0.98953793037168 0.12083049955002 0.05442184714850 18.998 > 49 51 F 0.48953793037168 0.62083049955002 0.05442184714850 18.998 > 49 52 F 0.98953793037168 0.62083049955002 0.05442184714850 18.998 > 49 53 F 0.01046206962832 0.37083049955002 0.44557815285150 18.998 > 53 54 F 0.51046206962832 0.37083049955002 0.44557815285150 18.998 > 53 55 F 0.01046206962832 0.87083049955002 0.44557815285150 18.998 > 53 56 F 0.51046206962832 0.87083049955002 0.44557815285150 18.998 > 53 57 F 0.01046206962832 0.37916950044998 0.94557815285150 18.998 > 57 58 F 0.51046206962832 0.37916950044998 0.94557815285150 18.998 > 57 59 F 0.01046206962832 0.87916950044998 0.94557815285150 18.998 > 57 60 F 0.51046206962832 0.87916950044998 0.94557815285150 18.998 > 57 61 F 0.48953793037168 0.12916950044998 0.55442184714850 18.998 > 61 62 F 0.98953793037168 0.12916950044998 0.55442184714850 18.998 > 61 63 F 0.48953793037168 0.62916950044998 0.55442184714850 18.998 > 61 64 F 0.98953793037168 0.62916950044998 0.55442184714850 18.998 > 61 65 F 0.13567019028596 0.01209518342877 0.64441617796537 18.998 > 65 66 F 0.63567019028595 0.01209518342877 0.64441617796537 18.998 > 65 67 F 0.13567019028596 0.51209518342877 0.64441617796537 18.998 > 65 68 F 0.63567019028595 0.51209518342877 0.64441617796537 18.998 > 65 69 F 0.36432980971404 0.26209518342877 0.85558382203463 18.998 > 69 70 F 0.86432980971405 0.26209518342877 0.85558382203463 18.998 > 69 71 F 0.36432980971404 0.76209518342877 0.85558382203463 18.998 > 69 72 F 0.86432980971405 0.76209518342877 0.85558382203463 18.998 > 69 73 F 0.36432980971404 0.48790481657123 0.35558382203463 18.998 > 73 74 F 0.86432980971405 0.48790481657123 0.35558382203463 18.998 > 73 75 F 0.36432980971404 0.98790481657123 0.35558382203463 18.998 > 73 76 F 0.86432980971405 0.98790481657123 0.35558382203463 18.998 > 73 77 F 0.13567019028596 0.23790481657123 0.14441617796537 18.998 > 77 78 F 0.63567019028595 0.23790481657123 0.14441617796537 18.998 > 77 79 F 0.13567019028596 0.73790481657123 0.14441617796537 18.998 > 77 80 F 0.63567019028595 0.73790481657123 0.14441617796537 18.998 > 77 81 F 0.12756171700253 0.47870829304996 0.17446722472633 18.998 > 81 82 F 0.62756171700253 0.47870829304996 0.17446722472633 18.998 > 81 83 F 0.12756171700253 0.97870829304996 0.17446722472633 18.998 > 81 84 F 0.62756171700253 0.97870829304996 0.17446722472633 18.998 > 81 85 F 0.37243828299747 0.22870829304996 0.32553277527367 18.998 > 85 86 F 0.87243828299747 0.22870829304996 0.32553277527367 18.998 > 85 87 F 0.37243828299747 0.72870829304996 0.32553277527367 18.998 > 85 88 F 0.87243828299747 0.72870829304996 0.32553277527367 18.998 > 85 89 F 0.37243828299747 0.02129170695004 0.82553277527367 18.998 > 89 90 F 0.87243828299747 0.02129170695004 0.82553277527367 18.998 > 89 91 F 0.37243828299747 0.52129170695004 0.82553277527367 18.998 > 89 92 F 0.87243828299747 0.52129170695004 0.82553277527367 18.998 > 89 93 F 0.12756171700253 0.27129170695004 0.67446722472633 18.998 > 93 94 F 0.62756171700253 0.27129170695004 0.67446722472633 18.998 > 93 95 F 0.12756171700253 0.77129170695004 0.67446722472633 18.998 > 93 96 F 0.62756171700253 0.77129170695004 0.67446722472633 18.998 > 93 97 F 0.01530578065967 0.29003845348095 0.23440638169927 18.998 > 97 98 F 0.51530578065967 0.29003845348095 0.23440638169927 18.998 > 97 99 F 0.01530578065967 0.79003845348095 0.23440638169927 18.998 > 97 100 F 0.51530578065967 0.79003845348095 0.23440638169927 18.998 > 97 101 F 0.48469421934033 0.04003845348095 0.26559361830073 18.998 > 101 102 F 0.98469421934033 0.04003845348095 0.26559361830073 18.998 > 101 103 F 0.48469421934033 0.54003845348095 0.26559361830073 18.998 > 101 104 F 0.98469421934033 0.54003845348095 0.26559361830073 18.998 > 101 105 F 0.48469421934033 0.20996154651905 0.76559361830073 18.998 > 105 106 F 0.98469421934033 0.20996154651905 0.76559361830073 18.998 > 105 107 F 0.48469421934033 0.70996154651905 0.76559361830073 18.998 > 105 108 F 0.98469421934033 0.70996154651905 0.76559361830073 18.998 > 105 109 F 0.01530578065967 0.45996154651905 0.73440638169927 18.998 > 109 110 F 0.51530578065967 0.45996154651905 0.73440638169927 18.998 > 109 111 F 0.01530578065967 0.95996154651905 0.73440638169927 18.998 > 109 112 F 0.51530578065967 0.95996154651905 0.73440638169927 18.998 > 109 113 Y 0.09308555089667 0.12106053979144 0.76564029211555 88.906 > 113 114 Y 0.59308555089667 0.12106053979144 0.76564029211555 88.906 > 113 115 Y 0.09308555089667 0.62106053979144 0.76564029211555 88.906 > 113 116 Y 0.59308555089667 0.62106053979144 0.76564029211555 88.906 > 113 117 Y 0.40691444910333 0.37106053979144 0.73435970788445 88.906 > 117 118 Y 0.90691444910333 0.37106053979144 0.73435970788445 88.906 > 117 119 Y 0.40691444910333 0.87106053979144 0.73435970788445 88.906 > 117 120 Y 0.90691444910333 0.87106053979144 0.73435970788445 88.906 > 117 121 Y 0.40691444910333 0.37893946020856 0.23435970788445 88.906 > 121 122 Y 0.90691444910333 0.37893946020856 0.23435970788445 88.906 > 121 123 Y 0.40691444910333 0.87893946020856 0.23435970788445 88.906 > 121 124 Y 0.90691444910333 0.87893946020856 0.23435970788445 88.906 > 121 125 Y 0.09308555089667 0.12893946020856 0.26564029211555 88.906 > 125 126 Y 0.59308555089667 0.12893946020856 0.26564029211555 88.906 > 125 127 Y 0.09308555089667 0.62893946020856 0.26564029211555 88.906 > 125 128 Y 0.59308555089667 0.62893946020856 0.26564029211555 88.906 > 125 129 Sn 0.36407440256118 0.12170239481420 0.95698301782993 118.710 > 129 130 Sn 0.86407440256118 0.12170239481420 0.95698301782993 118.710 > 129 131 Sn 0.36407440256118 0.62170239481420 0.95698301782993 118.710 > 129 132 Sn 0.86407440256118 0.62170239481420 0.95698301782993 118.710 > 129 133 Sn 0.13592559743882 0.37170239481420 0.54301698217007 118.710 > 133 134 Sn 0.63592559743882 0.37170239481420 0.54301698217007 118.710 > 133 135 Sn 0.13592559743882 0.87170239481420 0.54301698217007 118.710 > 133 136 Sn 0.63592559743882 0.87170239481420 0.54301698217007 118.710 > 133 137 Sn 0.13592559743882 0.37829760518580 0.04301698217007 118.710 > 137 138 Sn 0.63592559743882 0.37829760518580 0.04301698217007 118.710 > 137 139 Sn 0.13592559743882 0.87829760518580 0.04301698217007 118.710 > 137 140 Sn 0.63592559743882 0.87829760518580 0.04301698217007 118.710 > 137 141 Sn 0.36407440256118 0.12829760518580 0.45698301782993 118.710 > 141 142 Sn 0.86407440256118 0.12829760518580 0.45698301782993 118.710 > 141 143 Sn 0.36407440256118 0.62829760518580 0.45698301782993 118.710 > 141 144 Sn 0.86407440256118 0.62829760518580 0.45698301782993 118.710 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3083770 0.0000000 0.0103239 0.0000000 2.3034876 0.0000000 0.0103175 0.0000000 2.3037741 -------------------------- Born effective charges -------------------------- 1 F -0.7424055 0.1671857 0.1558004 0.1706211 -1.2189696 -0.5557010 0.1338889 -0.5476565 -1.2337925 2 F -0.7424055 -0.1671857 0.1558004 -0.1706211 -1.2189696 0.5557010 0.1338889 0.5476565 -1.2337925 3 F -0.7424055 0.1671857 0.1558004 0.1706211 -1.2189696 -0.5557010 0.1338889 -0.5476565 -1.2337925 4 F -0.7424055 -0.1671857 0.1558004 -0.1706211 -1.2189696 0.5557010 0.1338889 0.5476565 -1.2337925 5 F -0.7082968 0.1773941 0.1385782 0.1736754 -1.2421991 -0.5766453 0.1215986 -0.5483553 -1.2941712 6 F -0.7082968 -0.1773941 0.1385782 -0.1736754 -1.2421991 0.5766453 0.1215986 0.5483553 -1.2941712 7 F -0.7082968 0.1773941 0.1385782 0.1736754 -1.2421991 -0.5766453 0.1215986 -0.5483553 -1.2941712 8 F -0.7082968 -0.1773941 0.1385782 -0.1736754 -1.2421991 0.5766453 0.1215986 0.5483553 -1.2941712 9 F -1.7961027 -0.0125218 -0.6089349 -0.0003542 -0.6551959 -0.0140752 -0.5999784 -0.0004997 -0.9962823 10 F -1.7961027 0.0125218 -0.6089349 0.0003542 -0.6551959 0.0140752 -0.5999784 0.0004997 -0.9962823 11 F -1.7961027 -0.0125218 -0.6089349 -0.0003542 -0.6551959 -0.0140752 -0.5999784 -0.0004997 -0.9962823 12 F -1.7961027 0.0125218 -0.6089349 0.0003542 -0.6551959 0.0140752 -0.5999784 0.0004997 -0.9962823 13 F -1.0386351 0.0095271 -0.4010346 -0.0259265 -0.6701850 -0.0354210 -0.3993996 -0.0070972 -1.3199353 14 F -1.0386351 -0.0095271 -0.4010346 0.0259265 -0.6701850 0.0354210 -0.3993996 0.0070972 -1.3199353 15 F -1.0386351 0.0095271 -0.4010346 -0.0259265 -0.6701850 -0.0354210 -0.3993996 -0.0070972 -1.3199353 16 F -1.0386351 -0.0095271 -0.4010346 0.0259265 -0.6701850 0.0354210 -0.3993996 0.0070972 -1.3199353 17 F -0.9875829 0.4174114 0.3529610 0.4210511 -1.2673246 -0.5140168 0.3417466 -0.4815251 -1.0794508 18 F -0.9875829 -0.4174114 0.3529610 -0.4210511 -1.2673246 0.5140168 0.3417466 0.4815251 -1.0794508 19 F -0.9875829 0.4174114 0.3529610 0.4210511 -1.2673246 -0.5140168 0.3417466 -0.4815251 -1.0794508 20 F -0.9875829 -0.4174114 0.3529610 -0.4210511 -1.2673246 0.5140168 0.3417466 0.4815251 -1.0794508 21 F -0.9985591 0.4596400 0.3864460 0.4508374 -1.2943432 -0.5159474 0.3848973 -0.5171629 -1.1322124 22 F -0.9985591 -0.4596400 0.3864460 -0.4508374 -1.2943432 0.5159474 0.3848973 0.5171629 -1.1322124 23 F -0.9985591 0.4596400 0.3864460 0.4508374 -1.2943432 -0.5159474 0.3848973 -0.5171629 -1.1322124 24 F -0.9985591 -0.4596400 0.3864460 -0.4508374 -1.2943432 0.5159474 0.3848973 0.5171629 -1.1322124 25 F -1.4658374 0.6692768 -0.0842526 0.7179619 -1.4094957 0.0493475 -0.0397862 0.0165751 -0.7427046 26 F -1.4658374 -0.6692768 -0.0842526 -0.7179619 -1.4094957 -0.0493475 -0.0397862 -0.0165751 -0.7427046 27 F -1.4658374 0.6692768 -0.0842526 0.7179619 -1.4094957 0.0493475 -0.0397862 0.0165751 -0.7427046 28 F -1.4658374 -0.6692768 -0.0842526 -0.7179619 -1.4094957 -0.0493475 -0.0397862 -0.0165751 -0.7427046 29 Y 3.9564805 0.1339935 0.0904787 -0.0694061 3.9363919 0.0307977 0.0130535 0.0085314 3.8573644 30 Y 3.9564805 -0.1339935 0.0904787 0.0694061 3.9363919 -0.0307977 0.0130535 -0.0085314 3.8573644 31 Y 3.9564805 0.1339935 0.0904787 -0.0694061 3.9363919 0.0307977 0.0130535 0.0085314 3.8573644 32 Y 3.9564805 -0.1339935 0.0904787 0.0694061 3.9363919 -0.0307977 0.0130535 -0.0085314 3.8573644 33 Sn 3.7809390 0.0593476 -0.0300423 -0.0722536 3.8213211 0.0949173 0.0439795 -0.1121878 3.9411847 34 Sn 3.7809390 -0.0593476 -0.0300423 0.0722536 3.8213211 -0.0949173 0.0439795 0.1121878 3.9411847 35 Sn 3.7809390 0.0593476 -0.0300423 -0.0722536 3.8213211 0.0949173 0.0439795 -0.1121878 3.9411847 36 Sn 3.7809390 -0.0593476 -0.0300423 0.0722536 3.8213211 -0.0949173 0.0439795 0.1121878 3.9411847 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.587 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.364 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.431 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.549 ( 0.000 0.000 0.000) 0.000 6.676 ( 0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.239 ( 0.000 0.000 0.000) 0.000 7.341 ( 0.000 0.000 0.000) 0.000 7.343 ( 0.000 0.000 0.000) 0.000 7.430 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.555 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 8.004 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 8.445 ( 0.000 0.000 0.000) 0.000 8.565 ( 0.000 0.000 0.000) 0.000 8.664 ( 0.000 0.000 0.000) 0.000 8.671 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 9.054 ( 0.000 0.000 0.000) 0.000 9.109 ( 0.000 0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.529 ( 0.000 0.000 0.000) 0.000 12.045 ( 0.000 0.000 0.000) 0.000 12.052 ( 0.000 0.000 0.000) 0.000 13.097 ( 0.000 0.000 0.000) 0.000 13.437 ( 0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 13.780 ( 0.000 0.000 0.000) 0.000 13.971 ( 0.000 0.000 0.000) 0.000 14.041 ( 0.000 0.000 0.000) 0.000 14.131 ( 0.000 0.000 0.000) 0.000 14.305 ( 0.000 0.000 0.000) 0.000 15.846 ( 0.000 0.000 0.000) 0.000 15.902 ( 0.000 0.000 0.000) 0.000 15.915 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 16.108 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.239 ( 0.000 0.000 0.000) 0.000 16.297 ( 0.000 0.000 0.000) 0.000 16.515 ( 0.000 0.000 0.000) 0.000 16.593 ( 0.000 0.000 0.000) 0.000 17.197 ( 0.000 0.000 0.000) 0.000 17.831 ( 0.000 0.000 0.000) 0.000 17.865 ( 0.000 0.000 0.000) 0.000 18.206 ( 0.000 0.000 0.000) 0.000 18.477 ( 0.000 0.000 0.000) 0.000 18.778 ( 0.000 0.000 0.000) 0.000 19.034 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 19.440 0.000 13.071) 23.426 0.527 ( 22.554 0.000 8.556) 24.122 1.127 ( 41.121 0.000 28.812) 50.210 1.733 ( 3.167 0.000 -1.740) 3.613 1.902 ( -0.533 0.000 -6.364) 6.386 2.036 ( 1.326 0.000 -0.209) 1.342 2.158 ( -1.102 0.000 -0.809) 1.367 2.284 ( 1.796 0.000 0.848) 1.987 2.466 ( 1.638 0.000 2.301) 2.824 2.593 ( -5.891 0.000 -9.901) 11.521 2.595 ( -1.568 0.000 3.468) 3.806 2.767 ( 1.307 0.000 -2.028) 2.413 2.911 ( -2.767 0.000 -5.589) 6.236 2.963 ( 4.870 0.000 0.697) 4.920 3.119 ( 3.914 0.000 -4.209) 5.748 3.128 ( -5.274 0.000 -0.674) 5.317 3.290 ( -5.727 0.000 -1.297) 5.873 3.387 ( -11.024 0.000 3.522) 11.573 3.473 ( 7.473 0.000 4.014) 8.483 3.655 ( 0.727 0.000 -6.194) 6.237 3.674 ( -3.334 0.000 -0.426) 3.361 3.743 ( -4.668 0.000 4.415) 6.425 3.751 ( -0.220 0.000 -1.885) 1.898 4.166 ( -1.669 0.000 -4.368) 4.676 4.176 ( -2.612 0.000 4.107) 4.867 4.287 ( -3.288 0.000 -6.836) 7.586 4.326 ( 9.053 0.000 2.476) 9.386 4.425 ( -0.321 0.000 5.110) 5.120 4.481 ( -2.286 0.000 1.654) 2.821 4.511 ( -1.051 0.000 -2.371) 2.594 4.538 ( -3.257 0.000 5.025) 5.989 4.600 ( 3.233 0.000 -4.676) 5.684 4.805 ( 1.763 0.000 -7.359) 7.567 4.830 ( -8.113 0.000 -6.140) 10.174 4.870 ( 1.815 0.000 2.498) 3.088 4.874 ( -0.342 0.000 -0.183) 0.388 5.079 ( -2.649 0.000 0.645) 2.726 5.088 ( 1.789 0.000 -0.056) 1.789 5.206 ( -3.491 0.000 -0.760) 3.573 5.281 ( 0.667 0.000 2.005) 2.113 5.439 ( 4.945 0.000 -0.461) 4.966 5.536 ( -2.718 0.000 6.393) 6.947 5.614 ( -10.899 0.000 -11.265) 15.675 5.686 ( 2.366 0.000 6.460) 6.879 5.758 ( -1.027 0.000 10.992) 11.040 5.762 ( -0.813 0.000 -2.723) 2.842 5.889 ( -1.070 0.000 1.131) 1.557 5.919 ( 2.761 0.000 -1.089) 2.968 6.101 ( -1.202 0.000 -3.157) 3.378 6.192 ( -11.696 0.000 16.372) 20.121 6.265 ( 8.716 0.000 5.942) 10.549 6.472 ( -5.865 0.000 -1.481) 6.049 6.625 ( -4.873 0.000 6.881) 8.432 6.742 ( 1.149 0.000 -1.567) 1.943 6.851 ( 8.630 0.000 -1.188) 8.712 7.158 ( -2.577 0.000 -1.833) 3.162 7.193 ( 0.890 0.000 1.226) 1.515 7.259 ( 2.862 0.000 5.137) 5.880 7.267 ( -4.307 0.000 -4.154) 5.984 7.342 ( -4.744 0.000 4.378) 6.455 7.426 ( 5.837 0.000 0.388) 5.850 7.429 ( -3.732 0.000 3.894) 5.393 7.552 ( 4.099 0.000 -6.157) 7.397 7.624 ( 4.284 0.000 -3.747) 5.691 7.677 ( 1.503 0.000 -0.145) 1.510 7.980 ( -0.642 0.000 -5.153) 5.193 8.030 ( 4.816 0.000 -6.429) 8.033 8.048 ( 4.225 0.000 1.512) 4.488 8.262 ( 2.735 0.000 0.859) 2.866 8.437 ( -1.489 0.000 -0.726) 1.657 8.551 ( -2.096 0.000 10.632) 10.836 8.582 ( 2.274 0.000 -0.960) 2.469 8.664 ( -2.191 0.000 1.927) 2.917 8.675 ( 0.085 0.000 -2.837) 2.838 8.695 ( -1.627 0.000 1.181) 2.010 8.837 ( -1.158 0.000 7.282) 7.373 9.031 ( -4.193 0.000 -2.331) 4.797 9.076 ( -3.137 0.000 6.173) 6.924 9.237 ( 0.900 0.000 1.691) 1.915 9.452 ( -5.992 0.000 -3.774) 7.082 12.047 ( 0.243 0.000 -0.020) 0.243 12.056 ( 0.326 0.000 0.044) 0.329 13.424 ( 0.729 0.000 -3.238) 3.319 13.478 ( -1.787 0.000 -7.561) 7.769 13.737 ( 0.107 0.000 0.443) 0.455 13.747 ( 10.819 0.000 -4.718) 11.803 13.782 ( 0.439 0.000 -0.671) 0.801 13.971 ( 0.153 0.000 -0.175) 0.232 14.081 ( 7.130 0.000 -5.863) 9.231 14.169 ( 3.493 0.000 2.383) 4.228 14.319 ( -5.466 0.000 12.509) 13.651 15.879 ( -6.053 0.000 2.349) 6.493 15.921 ( 5.401 0.000 4.368) 6.946 15.922 ( 0.561 0.000 -1.028) 1.171 16.005 ( 5.580 0.000 3.878) 6.796 16.079 ( -11.226 0.000 -6.898) 13.176 16.193 ( 5.169 0.000 -9.850) 11.124 16.260 ( 2.374 0.000 0.620) 2.454 16.297 ( -3.844 0.000 -17.120) 17.546 16.326 ( 3.017 0.000 0.946) 3.162 17.418 ( 12.583 0.000 10.561) 16.428 17.832 ( 1.464 0.000 -2.399) 2.810 17.953 ( 4.789 0.000 7.124) 8.584 18.176 ( -3.967 0.000 1.308) 4.177 18.433 ( -3.065 0.000 -1.625) 3.469 18.723 ( -2.201 0.000 -6.343) 6.714 18.809 ( -4.870 0.000 4.919) 6.922 18.959 ( -6.665 0.000 -1.358) 6.802 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 17.910 0.000 11.845) 21.472 0.986 ( 16.943 0.000 6.564) 18.170 1.774 ( 2.952 0.000 -3.038) 4.236 1.784 ( 0.405 0.000 -4.448) 4.467 1.847 ( 1.559 0.000 -5.362) 5.585 1.946 ( -9.821 0.000 -15.505) 18.353 2.170 ( 14.210 0.000 11.672) 18.389 2.287 ( -10.082 0.000 -4.160) 10.907 2.431 ( 12.192 0.000 10.292) 15.955 2.627 ( 1.102 0.000 5.280) 5.394 2.734 ( 6.382 0.000 10.205) 12.037 2.759 ( 0.158 0.000 -2.616) 2.620 2.845 ( 0.861 0.000 -3.919) 4.012 2.882 ( -7.019 0.000 -3.470) 7.830 3.058 ( -5.184 0.000 -6.090) 7.997 3.087 ( 0.873 0.000 3.679) 3.781 3.187 ( -1.034 0.000 -0.995) 1.435 3.280 ( -2.397 0.000 2.448) 3.426 3.546 ( -6.719 0.000 -4.276) 7.965 3.623 ( 1.026 0.000 -5.476) 5.572 3.710 ( -2.233 0.000 2.345) 3.238 3.736 ( 12.063 0.000 9.119) 15.122 3.817 ( 6.013 0.000 1.038) 6.102 3.978 ( -13.620 0.000 -9.609) 16.669 4.135 ( -5.175 0.000 1.584) 5.412 4.188 ( 2.687 0.000 -4.592) 5.321 4.409 ( -2.667 0.000 2.083) 3.384 4.421 ( -4.833 0.000 -5.712) 7.482 4.447 ( 0.291 0.000 1.919) 1.941 4.465 ( -1.862 0.000 4.326) 4.709 4.577 ( 7.625 0.000 -1.395) 7.752 4.598 ( -1.637 0.000 0.236) 1.654 4.605 ( -9.929 0.000 0.209) 9.931 4.832 ( 1.218 0.000 -3.822) 4.011 4.934 ( 5.122 0.000 -1.533) 5.347 4.959 ( 4.665 0.000 0.881) 4.747 5.053 ( -3.296 0.000 0.612) 3.352 5.136 ( 4.143 0.000 -0.127) 4.145 5.141 ( 4.344 0.000 -0.001) 4.344 5.279 ( -5.509 0.000 -8.107) 9.802 5.352 ( -3.258 0.000 3.317) 4.649 5.512 ( -5.240 0.000 2.205) 5.685 5.530 ( -1.468 0.000 3.501) 3.796 5.572 ( -10.238 0.000 -4.933) 11.364 5.646 ( -3.014 0.000 -0.447) 3.047 5.894 ( 1.666 0.000 9.293) 9.441 5.937 ( 1.831 0.000 0.672) 1.950 5.967 ( -0.541 0.000 -1.041) 1.173 6.068 ( 1.068 0.000 -1.037) 1.488 6.267 ( 3.206 0.000 18.513) 18.788 6.336 ( -6.994 0.000 0.714) 7.030 6.488 ( 8.979 0.000 1.500) 9.103 6.607 ( -2.367 0.000 2.626) 3.536 6.716 ( 0.066 0.000 -4.412) 4.412 6.886 ( 0.067 0.000 -12.649) 12.649 7.101 ( -1.764 0.000 -0.412) 1.811 7.163 ( -2.801 0.000 0.373) 2.826 7.252 ( 1.802 0.000 2.761) 3.297 7.290 ( -0.461 0.000 -3.626) 3.655 7.368 ( 3.868 0.000 2.002) 4.356 7.375 ( -5.418 0.000 4.233) 6.875 7.531 ( 3.771 0.000 1.753) 4.158 7.579 ( 3.427 0.000 -3.196) 4.686 7.671 ( 3.441 0.000 -0.113) 3.442 7.694 ( 1.473 0.000 -3.119) 3.450 7.910 ( -1.899 0.000 -3.095) 3.631 8.102 ( 7.036 0.000 -3.096) 7.688 8.199 ( 9.802 0.000 1.595) 9.931 8.336 ( 1.627 0.000 5.666) 5.894 8.342 ( -4.852 0.000 -4.802) 6.827 8.582 ( -5.424 0.000 3.943) 6.705 8.605 ( 1.488 0.000 -3.676) 3.965 8.616 ( -7.530 0.000 2.801) 8.034 8.695 ( 5.536 0.000 4.862) 7.368 8.699 ( 2.316 0.000 -1.942) 3.023 8.831 ( -5.346 0.000 4.430) 6.943 9.002 ( 1.915 0.000 1.171) 2.245 9.078 ( -2.108 0.000 3.968) 4.493 9.252 ( -0.501 0.000 0.802) 0.946 9.255 ( -8.492 0.000 -6.436) 10.655 12.053 ( 0.286 0.000 -0.013) 0.286 12.062 ( 0.269 0.000 0.022) 0.270 13.363 ( -2.051 0.000 -6.290) 6.616 13.410 ( 0.608 0.000 -2.050) 2.138 13.743 ( -0.062 0.000 0.517) 0.521 13.782 ( 0.263 0.000 -0.651) 0.702 13.896 ( 5.060 0.000 0.924) 5.144 13.972 ( 0.053 0.000 -0.210) 0.216 14.171 ( 9.395 0.000 -9.257) 13.190 14.330 ( -7.452 0.000 14.226) 16.060 14.367 ( 13.544 0.000 8.135) 15.799 15.450 ( -25.819 0.000 -13.438) 29.107 15.922 ( 0.158 0.000 -0.283) 0.324 15.938 ( 0.518 0.000 -2.828) 2.875 16.069 ( 3.873 0.000 3.709) 5.362 16.113 ( 1.821 0.000 1.907) 2.637 16.193 ( 1.394 0.000 -2.700) 3.039 16.220 ( 1.254 0.000 -4.155) 4.340 16.373 ( 7.020 0.000 4.054) 8.107 16.441 ( 6.198 0.000 2.837) 6.816 17.714 ( 11.448 0.000 4.114) 12.165 17.847 ( 2.869 0.000 -2.147) 3.584 18.077 ( -6.973 0.000 -0.393) 6.984 18.078 ( -3.146 0.000 6.446) 7.173 18.407 ( 4.377 0.000 0.278) 4.386 18.607 ( -1.734 0.000 -6.738) 6.958 18.731 ( -6.008 0.000 -0.297) 6.015 18.796 ( -7.759 0.000 -1.720) 7.947 ======================= Grid point 3 (4/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.616 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 1.825 ( -0.000 0.000 -0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.321 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 3.005 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.121 ( -0.000 0.000 -0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.561 ( 0.000 0.000 0.000) 0.000 3.705 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.172 ( -0.000 0.000 -0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.519 ( -0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 -0.000) 0.000 4.664 ( 0.000 0.000 -0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.366 ( -0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.673 ( 0.000 0.000 0.000) 0.000 5.941 ( 0.000 0.000 -0.000) 0.000 5.943 ( -0.000 0.000 0.000) 0.000 5.956 ( -0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.644 ( 0.000 0.000 0.000) 0.000 6.689 ( 0.000 0.000 0.000) 0.000 6.710 ( -0.000 0.000 -0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.265 ( 0.000 0.000 0.000) 0.000 7.286 ( 0.000 0.000 0.000) 0.000 7.341 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 -0.000) 0.000 7.683 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 7.872 ( 0.000 0.000 0.000) 0.000 8.168 ( 0.000 0.000 0.000) 0.000 8.248 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.611 ( 0.000 0.000 -0.000) 0.000 8.759 ( 0.000 0.000 0.000) 0.000 8.762 ( -0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 -0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 9.053 ( 0.000 0.000 0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.247 ( 0.000 0.000 0.000) 0.000 12.056 ( 0.000 0.000 0.000) 0.000 12.065 ( 0.000 0.000 0.000) 0.000 13.308 ( 0.000 0.000 0.000) 0.000 13.406 ( 0.000 0.000 0.000) 0.000 13.745 ( 0.000 0.000 0.000) 0.000 13.781 ( 0.000 0.000 0.000) 0.000 13.945 ( 0.000 0.000 0.000) 0.000 13.969 ( 0.000 0.000 0.000) 0.000 14.221 ( 0.000 0.000 0.000) 0.000 14.326 ( 0.000 0.000 0.000) 0.000 14.761 ( 0.000 0.000 0.000) 0.000 14.912 ( -0.000 0.000 -0.000) 0.000 15.922 ( 0.000 0.000 -0.000) 0.000 15.932 ( 0.000 0.000 0.000) 0.000 16.126 ( 0.000 0.000 0.000) 0.000 16.127 ( -0.000 0.000 -0.000) 0.000 16.193 ( 0.000 0.000 -0.000) 0.000 16.213 ( 0.000 0.000 0.000) 0.000 16.493 ( 0.000 0.000 0.000) 0.000 16.528 ( 0.000 0.000 0.000) 0.000 17.895 ( 0.000 0.000 0.000) 0.000 17.914 ( 0.000 0.000 0.000) 0.000 17.961 ( -0.000 0.000 0.000) 0.000 17.984 ( -0.000 0.000 0.000) 0.000 18.559 ( 0.000 0.000 0.000) 0.000 18.561 ( 0.000 0.000 0.000) 0.000 18.591 ( -0.000 0.000 -0.000) 0.000 18.697 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 0.000 25.797 0.000) 25.797 0.811 ( 0.000 40.086 0.000) 40.086 0.833 ( 0.000 40.166 0.000) 40.166 1.812 ( 0.000 9.390 0.000) 9.390 2.034 ( 0.000 6.841 0.000) 6.841 2.106 ( 0.000 8.499 0.000) 8.499 2.173 ( 0.000 4.406 0.000) 4.406 2.389 ( 0.000 10.434 0.000) 10.434 2.429 ( 0.000 -0.008 0.000) 0.008 2.689 ( 0.000 -4.213 0.000) 4.213 2.730 ( 0.000 11.225 0.000) 11.225 2.793 ( 0.000 4.255 0.000) 4.255 2.977 ( 0.000 6.581 0.000) 6.581 3.045 ( 0.000 3.735 0.000) 3.735 3.079 ( 0.000 10.399 0.000) 10.399 3.212 ( 0.000 2.202 0.000) 2.202 3.316 ( 0.000 -4.191 0.000) 4.191 3.356 ( 0.000 -1.205 0.000) 1.205 3.504 ( 0.000 -8.080 0.000) 8.080 3.573 ( 0.000 5.658 0.000) 5.658 3.678 ( 0.000 -2.275 0.000) 2.275 3.750 ( 0.000 -4.080 0.000) 4.080 3.923 ( 0.000 4.028 0.000) 4.028 4.120 ( 0.000 -3.159 0.000) 3.159 4.137 ( 0.000 -5.636 0.000) 5.636 4.258 ( 0.000 -0.333 0.000) 0.333 4.310 ( 0.000 -3.391 0.000) 3.391 4.395 ( 0.000 -3.408 0.000) 3.408 4.447 ( 0.000 2.254 0.000) 2.254 4.499 ( 0.000 -2.211 0.000) 2.211 4.569 ( 0.000 3.662 0.000) 3.662 4.652 ( 0.000 6.624 0.000) 6.624 4.844 ( 0.000 1.661 0.000) 1.661 4.865 ( 0.000 -3.437 0.000) 3.437 4.936 ( 0.000 -2.581 0.000) 2.581 4.987 ( 0.000 3.116 0.000) 3.116 5.043 ( 0.000 -3.912 0.000) 3.912 5.145 ( 0.000 1.056 0.000) 1.056 5.207 ( 0.000 -0.643 0.000) 0.643 5.353 ( 0.000 -13.690 0.000) 13.690 5.374 ( 0.000 0.097 0.000) 0.097 5.445 ( 0.000 -5.001 0.000) 5.001 5.675 ( 0.000 -2.870 0.000) 2.870 5.697 ( 0.000 -9.569 0.000) 9.569 5.702 ( 0.000 -2.392 0.000) 2.392 5.800 ( 0.000 1.833 0.000) 1.833 5.839 ( 0.000 -3.820 0.000) 3.820 5.972 ( 0.000 1.658 0.000) 1.658 6.072 ( 0.000 6.385 0.000) 6.385 6.207 ( 0.000 8.223 0.000) 8.223 6.396 ( 0.000 -4.769 0.000) 4.769 6.429 ( 0.000 -2.973 0.000) 2.973 6.645 ( 0.000 -1.878 0.000) 1.878 6.710 ( 0.000 -0.696 0.000) 0.696 6.974 ( 0.000 -1.870 0.000) 1.870 6.992 ( 0.000 6.203 0.000) 6.203 7.189 ( 0.000 -5.160 0.000) 5.160 7.194 ( 0.000 -8.769 0.000) 8.769 7.272 ( 0.000 3.173 0.000) 3.173 7.287 ( 0.000 -0.519 0.000) 0.519 7.330 ( 0.000 -7.189 0.000) 7.189 7.477 ( 0.000 4.883 0.000) 4.883 7.480 ( 0.000 -6.091 0.000) 6.091 7.558 ( 0.000 6.391 0.000) 6.391 7.692 ( 0.000 2.092 0.000) 2.092 7.727 ( 0.000 -3.811 0.000) 3.811 8.036 ( 0.000 -4.804 0.000) 4.804 8.077 ( 0.000 3.806 0.000) 3.806 8.128 ( 0.000 -5.434 0.000) 5.434 8.212 ( 0.000 4.594 0.000) 4.594 8.566 ( 0.000 8.217 0.000) 8.217 8.576 ( 0.000 0.920 0.000) 0.920 8.616 ( 0.000 -4.073 0.000) 4.073 8.748 ( 0.000 4.794 0.000) 4.794 8.822 ( 0.000 0.222 0.000) 0.222 8.866 ( 0.000 7.946 0.000) 7.946 9.048 ( 0.000 0.072 0.000) 0.072 9.159 ( 0.000 0.011 0.000) 0.011 9.232 ( 0.000 3.013 0.000) 3.013 9.518 ( 0.000 -1.308 0.000) 1.308 12.122 ( 0.000 6.344 0.000) 6.344 12.727 ( 0.000 0.919 0.000) 0.919 13.082 ( 0.000 -1.485 0.000) 1.485 13.375 ( 0.000 -11.948 0.000) 11.948 13.481 ( 0.000 3.979 0.000) 3.979 13.763 ( 0.000 2.818 0.000) 2.818 13.803 ( 0.000 2.521 0.000) 2.521 14.032 ( 0.000 0.189 0.000) 0.189 14.142 ( 0.000 0.220 0.000) 0.220 14.196 ( 0.000 16.945 0.000) 16.945 14.374 ( 0.000 7.385 0.000) 7.385 15.723 ( 0.000 -19.255 0.000) 19.255 15.909 ( 0.000 0.778 0.000) 0.778 15.926 ( 0.000 0.000 0.000) 0.000 16.042 ( 0.000 0.009 0.000) 0.009 16.043 ( 0.000 -1.041 0.000) 1.041 16.178 ( 0.000 1.079 0.000) 1.079 16.261 ( 0.000 0.966 0.000) 0.966 16.510 ( 0.000 -0.458 0.000) 0.458 16.583 ( 0.000 -0.902 0.000) 0.902 17.381 ( 0.000 14.985 0.000) 14.985 17.804 ( 0.000 -2.101 0.000) 2.101 17.884 ( 0.000 2.112 0.000) 2.112 18.170 ( 0.000 -3.381 0.000) 3.381 18.410 ( 0.000 -5.395 0.000) 5.395 18.630 ( 0.000 1.907 0.000) 1.907 18.693 ( 0.000 -8.354 0.000) 8.354 18.938 ( 0.000 -9.311 0.000) 9.311 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 2.448 27.863 25.245) 37.678 0.973 ( 20.897 31.535 -7.719) 38.610 1.284 ( 33.262 16.901 22.713) 43.680 1.818 ( 2.315 7.480 -2.924) 8.358 1.981 ( -2.446 7.026 -6.738) 10.037 2.099 ( 0.299 5.244 3.143) 6.121 2.229 ( 1.327 6.964 -4.238) 8.259 2.378 ( -0.607 8.440 1.812) 8.653 2.456 ( 4.376 0.912 -1.408) 4.686 2.585 ( -4.808 0.459 -5.806) 7.552 2.735 ( -2.402 10.744 4.340) 11.834 2.828 ( 0.271 5.354 -5.756) 7.866 2.942 ( -2.292 1.973 2.475) 3.908 2.990 ( 1.989 3.490 -3.229) 5.154 3.122 ( -3.520 0.825 -2.409) 4.345 3.163 ( 1.588 3.746 -5.310) 6.690 3.286 ( -7.280 -1.243 2.027) 7.659 3.377 ( 3.155 -5.406 1.484) 6.433 3.464 ( -9.847 2.483 2.383) 10.431 3.522 ( 0.405 -5.867 1.107) 5.984 3.607 ( -1.135 -1.845 -3.580) 4.184 3.739 ( -2.924 0.277 2.696) 3.987 3.919 ( 1.278 6.774 -0.533) 6.914 4.071 ( -1.667 -5.264 -2.840) 6.209 4.202 ( 0.852 -0.056 0.318) 0.912 4.273 ( -0.313 -1.274 -0.856) 1.566 4.348 ( 1.491 -2.336 4.627) 5.393 4.380 ( 2.460 -1.677 0.540) 3.026 4.465 ( -2.640 -5.179 2.049) 6.163 4.502 ( 0.865 2.041 -0.267) 2.233 4.564 ( 0.292 4.329 -4.089) 5.962 4.632 ( -0.993 2.713 -1.855) 3.434 4.742 ( -5.621 -2.835 -7.846) 10.060 4.824 ( -3.837 -1.021 -0.597) 4.015 4.933 ( 1.207 1.927 1.458) 2.702 4.949 ( 0.748 5.801 -3.862) 7.010 5.043 ( -0.254 -3.375 -1.980) 3.922 5.051 ( 1.274 -2.120 0.867) 2.620 5.235 ( 0.238 -0.304 -0.960) 1.035 5.361 ( -1.214 0.844 -3.192) 3.518 5.417 ( 3.978 -2.687 1.360) 4.989 5.557 ( 1.082 -7.200 5.390) 9.058 5.560 ( -7.366 3.533 5.349) 9.765 5.640 ( -7.647 -2.917 -5.681) 9.963 5.746 ( 0.174 -0.263 6.316) 6.324 5.776 ( -2.313 -2.051 -1.141) 3.295 5.815 ( 0.627 -4.099 3.321) 5.313 5.896 ( -0.274 1.881 2.081) 2.818 6.106 ( -2.513 4.865 3.469) 6.481 6.236 ( 4.410 -0.587 -3.040) 5.389 6.269 ( -2.871 1.397 2.765) 4.224 6.501 ( -3.573 -4.796 8.736) 10.587 6.554 ( -4.212 -0.269 0.335) 4.234 6.734 ( 0.270 -0.964 -1.772) 2.035 6.868 ( 2.563 2.801 -0.554) 3.837 7.086 ( -2.713 -7.932 -3.509) 9.088 7.151 ( 0.187 -4.977 0.330) 4.991 7.200 ( -2.313 -5.585 -0.159) 6.047 7.288 ( -1.813 -2.068 2.503) 3.719 7.331 ( 0.614 -1.785 2.214) 2.909 7.351 ( -0.304 -4.033 0.141) 4.047 7.386 ( 0.164 -0.480 2.863) 2.908 7.570 ( -1.603 1.802 3.599) 4.332 7.629 ( 4.994 1.265 -6.605) 8.377 7.706 ( 6.740 0.988 -3.905) 7.852 7.950 ( 8.234 -2.161 2.105) 8.769 8.007 ( 6.596 -3.012 -8.026) 10.816 8.054 ( -0.677 1.900 1.078) 2.287 8.197 ( 2.321 -6.428 6.094) 9.156 8.377 ( 9.758 -1.217 2.490) 10.144 8.547 ( -2.901 6.175 3.151) 7.515 8.584 ( -5.206 -2.870 4.520) 7.468 8.607 ( 3.669 2.123 -5.580) 7.007 8.722 ( -4.816 2.931 0.605) 5.670 8.753 ( 1.163 1.943 -1.943) 2.983 8.904 ( -0.773 3.181 2.877) 4.357 9.050 ( -3.123 -1.357 4.413) 5.575 9.125 ( -0.737 7.341 -2.026) 7.651 9.257 ( 1.175 2.324 1.391) 2.953 9.453 ( -5.281 -0.041 -2.335) 5.775 12.124 ( 0.065 6.216 0.301) 6.224 12.318 ( -12.838 16.486 -3.583) 21.200 13.350 ( -0.446 -10.312 -4.317) 11.188 13.388 ( 6.009 -6.279 -4.063) 9.594 13.590 ( 11.868 -4.830 4.835) 13.695 13.755 ( 0.073 1.547 -1.080) 1.888 13.806 ( 0.550 2.552 -0.624) 2.684 13.995 ( -1.355 -1.767 -2.816) 3.590 14.108 ( 0.518 2.346 -3.303) 4.084 14.245 ( 3.790 10.731 3.359) 11.866 14.477 ( 1.912 14.408 10.159) 17.733 15.658 ( -8.648 -21.029 -2.080) 22.832 15.926 ( 1.668 0.129 -0.998) 1.948 15.937 ( 0.981 1.376 0.141) 1.695 16.026 ( -1.898 4.398 1.616) 5.056 16.076 ( 1.547 -0.730 2.706) 3.201 16.154 ( 3.206 -1.605 -3.188) 4.798 16.266 ( 1.128 0.225 -6.296) 6.400 16.377 ( -6.158 4.184 -7.721) 10.726 16.389 ( -1.617 2.615 -3.251) 4.475 17.542 ( 9.475 10.033 6.381) 15.204 17.808 ( 1.286 -2.306 -1.931) 3.271 17.979 ( 5.075 2.796 7.585) 9.545 18.137 ( -3.997 -3.664 0.722) 5.470 18.394 ( -1.363 -3.522 -1.041) 3.917 18.636 ( -2.302 -8.552 -6.323) 10.882 18.774 ( 1.686 -1.759 5.970) 6.448 18.860 ( -6.773 -9.521 -1.837) 11.828 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 5.182 21.448 24.091) 32.669 1.315 ( 21.468 25.030 -7.596) 33.839 1.806 ( 3.878 3.495 -6.544) 8.371 1.865 ( 0.695 4.999 -6.874) 8.527 1.941 ( -0.942 9.279 1.759) 9.492 2.021 ( -5.038 7.508 -12.001) 15.026 2.212 ( 7.547 3.781 3.393) 9.097 2.313 ( -8.279 5.071 -0.018) 9.708 2.517 ( 8.793 6.440 7.846) 13.429 2.625 ( 5.535 0.012 5.934) 8.114 2.737 ( -2.494 -0.240 -0.707) 2.603 2.811 ( -3.210 5.751 3.510) 7.463 2.884 ( -0.625 3.044 -3.217) 4.473 2.944 ( 2.522 5.343 -3.586) 6.911 3.060 ( -3.812 -1.445 -0.716) 4.139 3.124 ( 1.594 -1.858 -1.738) 3.002 3.174 ( -4.863 3.628 3.026) 6.780 3.350 ( -2.689 5.668 0.680) 6.310 3.409 ( -3.699 -9.259 -1.033) 10.024 3.516 ( 1.963 -5.033 0.127) 5.404 3.660 ( 1.191 0.144 0.954) 1.533 3.732 ( 0.955 -4.739 2.852) 5.613 3.935 ( 0.097 5.738 -5.345) 7.843 4.000 ( -0.830 3.500 1.499) 3.897 4.168 ( -4.564 -0.303 -3.148) 5.553 4.220 ( -2.024 3.224 2.151) 4.373 4.340 ( -3.073 -0.298 -3.574) 4.723 4.394 ( -3.628 -7.254 3.210) 8.723 4.415 ( -0.764 -1.212 -2.448) 2.836 4.476 ( -2.887 0.668 -0.810) 3.072 4.572 ( -3.640 0.347 -0.676) 3.719 4.613 ( 7.303 4.448 -0.947) 8.603 4.678 ( 1.773 2.580 -1.130) 3.328 4.832 ( 5.711 -3.158 -0.557) 6.549 4.904 ( -0.693 2.964 -2.867) 4.182 4.958 ( -0.232 -0.833 4.527) 4.609 5.076 ( 2.320 0.035 -0.001) 2.320 5.138 ( 1.339 3.544 -3.038) 4.856 5.203 ( 3.345 1.198 -0.308) 3.567 5.311 ( -3.965 2.042 -6.239) 7.669 5.369 ( -6.048 1.259 4.003) 7.361 5.439 ( -3.485 -3.635 0.949) 5.125 5.552 ( -3.928 -4.404 -0.801) 5.955 5.588 ( -6.549 3.894 -0.793) 7.661 5.653 ( 1.061 -3.819 1.631) 4.286 5.766 ( -5.413 -1.027 1.395) 5.684 5.884 ( 3.305 -3.459 5.633) 7.390 5.986 ( 3.702 0.249 3.528) 5.120 6.132 ( 0.046 2.194 -2.298) 3.177 6.238 ( 1.049 -1.303 6.791) 6.994 6.348 ( 1.280 -2.815 2.128) 3.753 6.478 ( 3.937 -1.154 -2.267) 4.687 6.546 ( -3.301 -4.471 5.660) 7.932 6.718 ( 0.393 0.458 -1.576) 1.688 6.871 ( -1.180 -0.719 -6.987) 7.123 7.032 ( -0.224 -8.709 -2.778) 9.144 7.102 ( -2.785 -1.700 0.615) 3.320 7.153 ( -2.725 -7.506 1.631) 8.150 7.227 ( -4.075 -8.116 -3.057) 9.582 7.331 ( 0.736 -0.212 5.010) 5.068 7.421 ( 1.557 0.743 4.355) 4.684 7.429 ( 0.548 -5.533 -0.441) 5.578 7.581 ( 0.319 -1.720 0.063) 1.751 7.650 ( 3.392 -1.537 0.558) 3.766 7.787 ( 5.239 4.665 -7.097) 9.979 7.967 ( 1.275 4.229 -1.567) 4.687 8.035 ( 2.436 -0.944 -5.032) 5.670 8.212 ( 6.444 -3.356 3.052) 7.880 8.291 ( 5.798 3.099 -0.522) 6.594 8.466 ( -4.588 -7.392 1.921) 8.910 8.483 ( -6.574 1.942 8.157) 10.655 8.562 ( 0.479 0.361 -1.693) 1.797 8.610 ( 1.282 1.108 -3.314) 3.722 8.712 ( 3.933 3.315 2.740) 5.828 8.794 ( 3.963 3.702 -0.849) 5.489 8.885 ( -4.549 2.982 3.246) 6.334 9.025 ( -2.094 1.262 1.603) 2.924 9.109 ( -0.492 4.259 0.629) 4.333 9.246 ( -4.386 2.035 -3.599) 6.028 9.333 ( -2.698 5.919 0.676) 6.540 12.128 ( -0.037 6.038 0.187) 6.041 12.176 ( -2.685 10.572 -0.804) 10.937 13.286 ( -1.114 -7.130 -4.445) 8.476 13.398 ( 0.696 -1.707 -1.971) 2.699 13.738 ( -0.048 -0.559 0.190) 0.592 13.801 ( 4.606 -5.707 -2.713) 7.820 13.809 ( 0.649 2.405 0.426) 2.528 13.961 ( -1.689 -1.573 2.402) 3.331 14.227 ( 13.370 -2.113 2.220) 13.717 14.347 ( 3.327 10.615 4.324) 11.935 14.587 ( 0.731 18.584 6.732) 19.779 15.282 ( -21.364 -15.249 -12.291) 28.983 15.934 ( 0.220 1.084 -0.421) 1.183 15.950 ( 0.592 1.277 -0.646) 1.548 16.027 ( 0.997 -2.873 -0.456) 3.076 16.075 ( -1.062 -1.428 -2.286) 2.897 16.222 ( 0.894 0.957 0.591) 1.437 16.247 ( 3.086 1.142 0.422) 3.317 16.380 ( 5.576 0.489 3.072) 6.385 16.445 ( 5.675 0.447 2.433) 6.191 17.763 ( 8.840 3.307 2.114) 9.672 17.825 ( 3.045 -2.026 -1.276) 3.873 18.027 ( -7.203 -4.518 -1.449) 8.625 18.099 ( -3.380 1.508 5.620) 6.729 18.421 ( 6.411 1.677 1.981) 6.917 18.525 ( -1.004 -8.212 -6.704) 10.649 18.684 ( -8.472 -10.556 -2.118) 13.700 18.762 ( -4.944 2.572 0.137) 5.574 ======================= Grid point 10 (8/80) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 0.000 18.433 -0.000) 18.433 1.510 ( -0.000 18.883 0.000) 18.883 1.760 ( -0.000 4.472 -0.000) 4.472 1.802 ( 0.000 16.304 0.000) 16.304 1.862 ( 0.000 5.751 -0.000) 5.751 1.906 ( 0.000 7.294 0.000) 7.294 2.141 ( -0.000 -1.528 -0.000) 1.528 2.375 ( -0.000 4.685 -0.000) 4.685 2.593 ( 0.000 -3.229 0.000) 3.229 2.697 ( 0.000 -4.205 0.000) 4.205 2.786 ( 0.000 4.739 -0.000) 4.739 2.805 ( -0.000 7.216 0.000) 7.216 2.855 ( -0.000 5.459 -0.000) 5.459 3.010 ( 0.000 1.254 0.000) 1.254 3.088 ( 0.000 -6.751 -0.000) 6.751 3.138 ( -0.000 0.994 0.000) 0.994 3.155 ( 0.000 2.947 -0.000) 2.947 3.339 ( 0.000 5.391 -0.000) 5.391 3.344 ( 0.000 -1.823 0.000) 1.823 3.547 ( -0.000 -2.231 0.000) 2.231 3.635 ( -0.000 -0.124 0.000) 0.124 3.648 ( 0.000 -5.906 -0.000) 5.906 4.018 ( -0.000 5.625 0.000) 5.625 4.033 ( 0.000 2.148 -0.000) 2.148 4.116 ( -0.000 -2.865 -0.000) 2.865 4.168 ( 0.000 4.210 0.000) 4.210 4.273 ( 0.000 4.685 0.000) 4.685 4.310 ( -0.000 -8.716 -0.000) 8.716 4.414 ( 0.000 -8.278 -0.000) 8.278 4.443 ( -0.000 4.618 0.000) 4.618 4.536 ( 0.000 3.763 0.000) 3.763 4.676 ( -0.000 6.056 0.000) 6.056 4.716 ( 0.000 0.996 -0.000) 0.996 4.858 ( -0.000 4.233 -0.000) 4.233 4.912 ( 0.000 -3.176 0.000) 3.176 5.025 ( -0.000 3.349 0.000) 3.349 5.069 ( -0.000 4.830 0.000) 4.830 5.142 ( -0.000 -0.725 -0.000) 0.725 5.202 ( 0.000 -3.216 -0.000) 3.216 5.294 ( 0.000 -2.223 -0.000) 2.223 5.316 ( -0.000 0.521 0.000) 0.521 5.401 ( 0.000 -0.085 0.000) 0.085 5.406 ( -0.000 -0.903 -0.000) 0.903 5.609 ( 0.000 10.198 0.000) 10.198 5.646 ( 0.000 -3.181 -0.000) 3.181 5.718 ( -0.000 -8.600 -0.000) 8.600 5.960 ( -0.000 1.345 -0.000) 1.345 6.073 ( 0.000 -1.507 0.000) 1.507 6.078 ( -0.000 -2.135 0.000) 2.135 6.234 ( 0.000 -0.590 -0.000) 0.590 6.442 ( 0.000 -6.735 -0.000) 6.735 6.508 ( -0.000 -4.092 0.000) 4.092 6.610 ( 0.000 -1.689 0.000) 1.689 6.662 ( -0.000 3.271 -0.000) 3.271 6.770 ( -0.000 0.689 -0.000) 0.689 7.020 ( -0.000 -10.800 0.000) 10.800 7.078 ( 0.000 -0.849 -0.000) 0.849 7.157 ( 0.000 -8.995 0.000) 8.995 7.158 ( -0.000 -7.454 0.000) 7.454 7.372 ( 0.000 3.068 -0.000) 3.068 7.420 ( 0.000 -6.187 -0.000) 6.187 7.462 ( -0.000 -3.885 0.000) 3.885 7.577 ( -0.000 -4.769 -0.000) 4.769 7.751 ( -0.000 6.814 -0.000) 6.814 7.753 ( 0.000 -1.970 0.000) 1.970 7.992 ( -0.000 7.180 0.000) 7.180 8.004 ( 0.000 -2.269 -0.000) 2.269 8.273 ( 0.000 -4.514 -0.000) 4.514 8.382 ( -0.000 -2.280 0.000) 2.280 8.445 ( -0.000 -2.554 0.000) 2.554 8.460 ( 0.000 2.295 -0.000) 2.295 8.512 ( 0.000 3.233 -0.000) 3.233 8.608 ( 0.000 0.186 -0.000) 0.186 8.817 ( 0.000 3.144 0.000) 3.144 8.820 ( -0.000 4.489 -0.000) 4.489 8.860 ( -0.000 4.716 -0.000) 4.716 8.999 ( 0.000 -0.210 0.000) 0.210 9.122 ( -0.000 0.815 -0.000) 0.815 9.128 ( 0.000 5.032 0.000) 5.032 9.327 ( 0.000 7.999 -0.000) 7.999 12.126 ( 0.000 6.166 0.000) 6.166 12.153 ( -0.000 8.355 0.000) 8.355 13.249 ( 0.000 -5.802 0.000) 5.802 13.394 ( 0.000 -1.463 0.000) 1.463 13.736 ( -0.000 -0.088 0.000) 0.088 13.803 ( 0.000 -0.825 0.000) 0.825 13.831 ( 0.000 -5.034 -0.000) 5.034 13.960 ( 0.000 -0.541 0.000) 0.541 14.355 ( 0.000 14.332 -0.000) 14.332 14.561 ( 0.000 14.022 0.000) 14.022 14.707 ( 0.000 -5.176 0.000) 5.176 14.790 ( -0.000 -7.455 -0.000) 7.455 15.934 ( 0.000 1.032 -0.000) 1.032 15.952 ( 0.000 1.487 0.000) 1.487 16.042 ( 0.000 -4.450 0.000) 4.450 16.046 ( -0.000 -4.487 -0.000) 4.487 16.234 ( -0.000 1.340 -0.000) 1.340 16.266 ( 0.000 2.057 0.000) 2.057 16.495 ( 0.000 0.266 0.000) 0.266 16.529 ( -0.000 0.120 0.000) 0.120 17.877 ( -0.000 -1.279 -0.000) 1.279 17.877 ( 0.000 -8.094 0.000) 8.094 17.929 ( -0.000 0.866 -0.000) 0.866 18.026 ( 0.000 2.908 0.000) 2.908 18.496 ( 0.000 -6.153 0.000) 6.153 18.566 ( -0.000 -12.767 0.000) 12.767 18.594 ( 0.000 3.430 0.000) 3.430 18.635 ( -0.000 3.973 -0.000) 3.973 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 26.791 0.000) 26.791 1.567 ( 0.000 32.547 0.000) 32.547 1.580 ( 0.000 36.627 0.000) 36.627 2.027 ( 0.000 10.718 0.000) 10.718 2.183 ( 0.000 6.478 0.000) 6.478 2.246 ( 0.000 0.717 0.000) 0.717 2.337 ( 0.000 14.276 0.000) 14.276 2.503 ( 0.000 9.042 0.000) 9.042 2.561 ( 0.000 1.357 0.000) 1.357 2.630 ( 0.000 -0.726 0.000) 0.726 2.885 ( 0.000 6.454 0.000) 6.454 3.005 ( 0.000 13.290 0.000) 13.290 3.059 ( 0.000 5.573 0.000) 5.573 3.120 ( 0.000 -9.778 0.000) 9.778 3.234 ( 0.000 11.877 0.000) 11.877 3.257 ( 0.000 0.815 0.000) 0.815 3.276 ( 0.000 -3.557 0.000) 3.557 3.341 ( 0.000 9.467 0.000) 9.467 3.432 ( 0.000 -3.777 0.000) 3.777 3.631 ( 0.000 -0.373 0.000) 0.373 3.650 ( 0.000 1.210 0.000) 1.210 3.715 ( 0.000 1.090 0.000) 1.090 3.953 ( 0.000 -1.013 0.000) 1.013 4.019 ( 0.000 -4.439 0.000) 4.439 4.089 ( 0.000 0.753 0.000) 0.753 4.210 ( 0.000 -4.821 0.000) 4.821 4.231 ( 0.000 -3.926 0.000) 3.926 4.356 ( 0.000 0.463 0.000) 0.463 4.437 ( 0.000 -3.958 0.000) 3.958 4.472 ( 0.000 0.232 0.000) 0.232 4.649 ( 0.000 3.872 0.000) 3.872 4.794 ( 0.000 3.439 0.000) 3.439 4.815 ( 0.000 -7.307 0.000) 7.307 4.832 ( 0.000 2.771 0.000) 2.771 4.899 ( 0.000 0.746 0.000) 0.746 4.951 ( 0.000 -2.226 0.000) 2.226 5.089 ( 0.000 5.504 0.000) 5.504 5.118 ( 0.000 -5.994 0.000) 5.994 5.151 ( 0.000 -0.711 0.000) 0.711 5.223 ( 0.000 1.408 0.000) 1.408 5.323 ( 0.000 -2.310 0.000) 2.310 5.443 ( 0.000 2.989 0.000) 2.989 5.532 ( 0.000 -7.064 0.000) 7.064 5.608 ( 0.000 -3.708 0.000) 3.708 5.650 ( 0.000 -2.719 0.000) 2.719 5.752 ( 0.000 -4.233 0.000) 4.233 5.825 ( 0.000 -1.273 0.000) 1.273 5.864 ( 0.000 -9.061 0.000) 9.061 6.167 ( 0.000 2.603 0.000) 2.603 6.277 ( 0.000 -6.182 0.000) 6.182 6.282 ( 0.000 -0.253 0.000) 0.253 6.467 ( 0.000 1.940 0.000) 1.940 6.587 ( 0.000 -4.161 0.000) 4.161 6.714 ( 0.000 2.827 0.000) 2.827 6.943 ( 0.000 -5.973 0.000) 5.973 6.965 ( 0.000 -8.684 0.000) 8.684 7.049 ( 0.000 -3.245 0.000) 3.245 7.126 ( 0.000 2.511 0.000) 2.511 7.217 ( 0.000 -7.058 0.000) 7.058 7.233 ( 0.000 -2.995 0.000) 2.995 7.316 ( 0.000 1.865 0.000) 1.865 7.423 ( 0.000 0.536 0.000) 0.536 7.481 ( 0.000 -6.872 0.000) 6.872 7.595 ( 0.000 3.273 0.000) 3.273 7.697 ( 0.000 -4.903 0.000) 4.903 7.818 ( 0.000 8.413 0.000) 8.413 7.842 ( 0.000 -5.390 0.000) 5.390 8.089 ( 0.000 -3.719 0.000) 3.719 8.212 ( 0.000 8.697 0.000) 8.697 8.291 ( 0.000 2.972 0.000) 2.972 8.575 ( 0.000 0.798 0.000) 0.798 8.598 ( 0.000 1.218 0.000) 1.218 8.717 ( 0.000 6.276 0.000) 6.276 8.782 ( 0.000 -1.017 0.000) 1.017 8.855 ( 0.000 3.865 0.000) 3.865 8.966 ( 0.000 0.028 0.000) 0.028 9.138 ( 0.000 9.393 0.000) 9.393 9.187 ( 0.000 3.429 0.000) 3.429 9.315 ( 0.000 4.820 0.000) 4.820 9.470 ( 0.000 -3.638 0.000) 3.638 12.270 ( 0.000 7.811 0.000) 7.811 12.754 ( 0.000 1.748 0.000) 1.748 13.035 ( 0.000 -3.563 0.000) 3.563 13.141 ( 0.000 -10.748 0.000) 10.748 13.575 ( 0.000 5.228 0.000) 5.228 13.834 ( 0.000 3.957 0.000) 3.957 13.898 ( 0.000 6.897 0.000) 6.897 14.038 ( 0.000 0.734 0.000) 0.734 14.126 ( 0.000 -1.577 0.000) 1.577 14.569 ( 0.000 19.178 0.000) 19.178 14.595 ( 0.000 14.043 0.000) 14.043 15.260 ( 0.000 -24.900 0.000) 24.900 15.935 ( 0.000 1.658 0.000) 1.658 15.940 ( 0.000 1.509 0.000) 1.509 16.031 ( 0.000 -1.278 0.000) 1.278 16.031 ( 0.000 -0.712 0.000) 0.712 16.214 ( 0.000 2.247 0.000) 2.247 16.283 ( 0.000 1.352 0.000) 1.352 16.499 ( 0.000 -0.542 0.000) 0.542 16.560 ( 0.000 -1.379 0.000) 1.379 17.668 ( 0.000 11.692 0.000) 11.692 17.748 ( 0.000 -3.276 0.000) 3.276 17.968 ( 0.000 6.818 0.000) 6.818 18.083 ( 0.000 -4.813 0.000) 4.813 18.288 ( 0.000 -6.536 0.000) 6.536 18.466 ( 0.000 -13.643 0.000) 13.643 18.645 ( 0.000 -2.370 0.000) 2.370 18.693 ( 0.000 -12.732 0.000) 12.732 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 14.026 20.962 14.373) 29.029 1.635 ( 0.865 33.061 14.217) 35.999 1.748 ( 17.454 23.348 -1.967) 29.218 1.989 ( 2.598 10.149 -3.136) 10.936 2.122 ( -5.790 4.997 -6.779) 10.220 2.221 ( -0.663 6.813 2.461) 7.274 2.400 ( 4.244 8.475 -7.112) 11.850 2.471 ( 0.244 0.373 -2.612) 2.650 2.555 ( 2.311 8.284 -0.434) 8.611 2.660 ( 0.246 4.608 3.776) 5.963 2.905 ( -10.257 4.087 1.980) 11.217 2.940 ( -3.875 0.204 3.507) 5.230 2.999 ( -0.372 8.870 -3.323) 9.479 3.050 ( -10.944 1.381 -3.910) 11.704 3.153 ( -3.013 3.704 -9.380) 10.525 3.182 ( 2.910 -3.739 -0.476) 4.762 3.262 ( -3.737 -2.338 4.781) 6.503 3.310 ( -2.129 5.441 -3.232) 6.677 3.438 ( -0.719 -1.666 4.041) 4.430 3.585 ( -7.087 2.918 1.946) 7.908 3.631 ( 2.199 6.551 -0.798) 6.956 3.743 ( 0.696 1.657 1.214) 2.169 3.980 ( 4.641 -0.377 -0.998) 4.763 4.037 ( -0.755 2.180 -2.478) 3.386 4.145 ( 1.391 -5.602 0.630) 5.806 4.225 ( 0.733 -3.349 0.184) 3.433 4.266 ( 1.010 -4.804 4.560) 6.700 4.359 ( -1.957 0.159 -1.167) 2.284 4.417 ( 5.976 0.511 1.281) 6.133 4.507 ( 3.981 -1.808 -2.065) 4.836 4.635 ( -3.426 1.668 -0.329) 3.825 4.699 ( -4.149 -0.457 -3.902) 5.714 4.736 ( -1.900 6.241 -2.422) 6.959 4.835 ( -3.110 3.137 -4.141) 6.055 4.923 ( -1.201 -0.317 1.391) 1.865 4.957 ( 2.412 -3.592 2.735) 5.119 5.015 ( -0.851 0.025 -0.700) 1.102 5.115 ( 2.662 5.409 -1.707) 6.266 5.224 ( 3.514 -2.321 -0.554) 4.248 5.265 ( 2.492 -1.845 0.729) 3.186 5.399 ( 2.351 -4.653 3.811) 6.458 5.406 ( -0.979 -3.584 -2.247) 4.342 5.524 ( -4.830 -3.908 2.277) 6.617 5.596 ( -4.336 -2.476 -0.973) 5.087 5.717 ( 0.338 -1.501 4.381) 4.644 5.731 ( 3.707 -1.078 0.138) 3.863 5.822 ( -1.276 -0.950 -2.213) 2.725 5.869 ( 4.582 -5.597 0.747) 7.272 6.144 ( -2.708 -0.871 1.641) 3.284 6.213 ( -4.097 -3.084 1.209) 5.268 6.285 ( -1.095 -0.225 -1.654) 1.997 6.459 ( -2.083 -0.800 3.634) 4.264 6.555 ( -2.736 1.367 -2.335) 3.848 6.687 ( -0.988 -3.406 -0.126) 3.548 6.890 ( -2.479 -6.485 -0.811) 6.990 6.958 ( -3.667 2.274 0.622) 4.359 7.001 ( 0.956 -9.341 1.328) 9.484 7.103 ( -3.613 -3.682 -2.048) 5.550 7.191 ( -4.177 -3.726 0.098) 5.599 7.232 ( 0.018 -3.831 -3.676) 5.309 7.350 ( 2.422 -0.384 6.560) 7.003 7.418 ( -0.368 0.696 5.685) 5.739 7.526 ( -1.301 -4.729 -0.216) 4.910 7.622 ( -0.555 -3.452 -7.535) 8.307 7.755 ( 10.617 1.427 0.503) 10.725 7.855 ( 3.563 -5.870 -0.987) 6.937 7.978 ( 11.103 2.829 4.040) 12.149 8.105 ( -0.121 -0.453 3.661) 3.691 8.173 ( -1.356 6.049 -1.773) 6.447 8.383 ( 3.604 -1.139 4.347) 5.760 8.575 ( 0.242 2.539 -3.752) 4.537 8.617 ( 2.901 1.858 0.728) 3.521 8.701 ( -3.672 3.752 -3.302) 6.202 8.757 ( 0.070 0.067 -0.633) 0.641 8.806 ( -3.062 6.037 0.316) 6.776 8.947 ( -0.688 0.991 -2.349) 2.641 9.037 ( -3.048 0.788 2.594) 4.080 9.282 ( 0.005 6.114 -2.371) 6.557 9.345 ( 3.112 6.576 3.023) 7.878 9.452 ( -1.039 0.827 0.780) 1.540 12.270 ( -0.243 7.728 0.462) 7.745 12.567 ( -10.516 9.128 -2.127) 14.087 13.128 ( 0.223 -11.361 -1.280) 11.436 13.219 ( 9.997 -8.229 -0.039) 12.949 13.608 ( 2.474 3.744 3.056) 5.429 13.796 ( -1.622 2.224 -3.056) 4.113 13.881 ( -0.576 4.519 -0.363) 4.570 13.978 ( -3.179 0.582 -3.664) 4.886 14.103 ( -1.515 -1.272 -0.822) 2.142 14.578 ( 5.696 20.299 3.395) 21.355 14.825 ( 8.577 18.861 9.017) 22.597 15.193 ( -5.839 -23.664 -4.109) 24.718 15.938 ( 0.640 0.537 -0.188) 0.857 15.968 ( 0.817 1.424 1.104) 1.979 16.051 ( 2.096 -1.488 2.614) 3.666 16.069 ( -0.414 -0.031 2.797) 2.828 16.154 ( -0.997 1.789 -3.273) 3.861 16.286 ( -0.292 1.382 -4.242) 4.471 16.411 ( -3.602 0.192 -2.292) 4.274 16.421 ( -5.378 0.681 -4.861) 7.281 17.724 ( 3.073 4.614 0.186) 5.547 17.748 ( 1.446 -1.295 -0.108) 1.945 18.039 ( -2.964 -5.164 0.118) 5.955 18.071 ( 2.324 5.010 7.102) 8.996 18.319 ( 3.500 -3.077 0.551) 4.693 18.401 ( -2.691 -14.043 -6.449) 15.685 18.604 ( -6.278 -14.844 -2.872) 16.371 18.753 ( 3.857 -1.111 5.371) 6.706 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.845 19.643 18.037) 26.819 1.834 ( 12.281 24.274 -3.428) 27.419 1.872 ( 2.355 3.279 -3.831) 5.565 1.974 ( 0.551 6.006 -11.614) 13.087 2.090 ( -7.098 3.592 -5.741) 9.810 2.227 ( 6.683 9.493 -1.186) 11.670 2.348 ( 0.376 12.204 -4.808) 13.123 2.478 ( -11.464 4.649 2.849) 12.695 2.571 ( 1.883 0.846 -6.581) 6.897 2.701 ( -3.064 1.397 -1.057) 3.529 2.716 ( 1.903 4.485 16.421) 17.129 2.849 ( -6.276 -9.360 2.328) 11.507 2.922 ( 1.120 1.277 3.062) 3.501 2.980 ( -5.296 5.530 -0.083) 7.658 3.034 ( 3.999 4.862 -7.884) 10.089 3.185 ( 0.399 2.445 -2.344) 3.411 3.251 ( -1.776 2.435 1.746) 3.483 3.320 ( 2.331 5.622 4.208) 7.399 3.452 ( -1.839 -0.101 0.896) 2.049 3.505 ( -3.921 4.418 3.325) 6.779 3.649 ( -1.387 1.354 1.027) 2.193 3.752 ( 2.262 6.601 -1.867) 7.224 3.993 ( 0.961 1.650 -1.492) 2.423 4.062 ( 1.514 1.026 1.982) 2.697 4.114 ( -0.658 -2.996 -3.116) 4.373 4.215 ( -2.701 -7.114 2.331) 7.959 4.293 ( 0.335 1.213 -0.707) 1.443 4.396 ( -9.596 1.019 -8.654) 12.962 4.418 ( 0.209 1.989 2.065) 2.875 4.492 ( 2.394 4.361 0.554) 5.006 4.590 ( 1.457 1.348 3.100) 3.680 4.709 ( 3.662 3.865 0.018) 5.324 4.750 ( 4.727 6.890 -5.061) 9.769 4.817 ( 5.929 0.585 -0.079) 5.958 4.918 ( 0.092 1.671 0.564) 1.766 4.988 ( -2.109 -1.919 4.266) 5.131 5.055 ( 3.093 0.669 2.089) 3.792 5.170 ( 1.541 -1.062 -0.794) 2.032 5.203 ( 1.197 -0.890 -5.848) 6.035 5.305 ( -3.256 -6.465 -1.610) 7.416 5.312 ( -2.217 -1.484 1.455) 3.039 5.409 ( -4.620 -1.255 1.341) 4.971 5.464 ( -3.342 -0.634 -2.955) 4.506 5.568 ( 3.694 -4.985 1.839) 6.471 5.666 ( -6.437 3.162 -0.691) 7.205 5.782 ( 3.265 -2.551 0.909) 4.242 5.829 ( -0.360 1.111 1.588) 1.971 5.991 ( 2.967 -1.564 6.030) 6.900 6.109 ( -2.977 -5.329 -2.910) 6.762 6.176 ( 0.666 -8.968 -0.724) 9.022 6.245 ( -0.160 0.309 0.164) 0.385 6.440 ( -3.440 -6.144 0.053) 7.042 6.535 ( 3.756 6.337 1.699) 7.560 6.697 ( 1.394 -2.209 0.852) 2.748 6.812 ( -3.277 -8.988 -2.271) 9.833 6.911 ( -3.094 0.119 -2.840) 4.202 7.002 ( -0.093 -6.993 -0.823) 7.042 7.052 ( -4.044 -2.439 4.432) 6.476 7.122 ( -3.040 -4.327 -1.876) 5.611 7.176 ( -0.882 -8.460 -0.366) 8.514 7.402 ( -3.566 -1.001 4.354) 5.716 7.426 ( -2.379 -1.706 6.322) 6.967 7.543 ( 2.944 -0.026 -6.703) 7.321 7.587 ( 3.189 -3.339 1.492) 4.853 7.892 ( 5.257 5.389 -5.834) 9.525 7.958 ( 8.834 -6.969 -2.378) 11.500 8.064 ( -0.539 1.194 1.103) 1.713 8.151 ( -2.568 -0.871 4.635) 5.370 8.293 ( 8.842 0.498 5.286) 10.313 8.408 ( -5.114 -3.411 1.684) 6.373 8.485 ( -4.026 2.991 -2.610) 5.654 8.594 ( -0.945 0.531 -3.483) 3.648 8.652 ( 0.757 3.326 -2.834) 4.434 8.779 ( 1.895 0.946 2.453) 3.241 8.856 ( 4.376 2.554 1.553) 5.300 8.922 ( 0.812 2.961 -1.150) 3.278 9.045 ( -0.307 1.291 2.839) 3.134 9.210 ( -2.991 3.785 -3.825) 6.156 9.342 ( -3.678 7.638 -0.206) 8.480 9.498 ( 2.259 9.864 2.396) 10.399 12.270 ( -0.237 7.581 0.409) 7.596 12.407 ( -4.736 11.586 -1.072) 12.562 13.108 ( -0.317 -10.031 -1.883) 10.211 13.327 ( 2.373 -5.674 -0.802) 6.202 13.677 ( 1.699 -3.059 -1.218) 3.705 13.782 ( 0.568 1.329 -2.915) 3.254 13.874 ( 0.145 2.153 2.973) 3.673 13.908 ( -0.965 -0.888 1.312) 1.856 14.150 ( 7.028 -3.081 4.138) 8.718 14.724 ( 4.513 24.086 2.905) 24.676 14.922 ( -13.832 -19.084 -10.449) 25.782 15.019 ( 3.442 23.618 3.951) 24.192 15.943 ( 0.124 -0.956 -0.415) 1.049 15.978 ( -0.379 1.291 -0.308) 1.380 15.996 ( -2.372 0.084 -1.256) 2.685 16.073 ( -1.940 1.035 -4.086) 4.641 16.216 ( -0.029 -1.234 2.210) 2.532 16.249 ( 3.395 -0.615 3.793) 5.127 16.383 ( 4.094 -0.280 2.720) 4.923 16.457 ( 4.964 0.646 2.289) 5.505 17.702 ( -2.226 -8.667 -2.274) 9.233 17.845 ( 5.067 2.150 0.805) 5.563 17.929 ( -4.506 -4.144 -2.935) 6.789 18.112 ( -3.884 -0.738 2.967) 4.942 18.271 ( -1.751 -17.056 -7.427) 18.685 18.432 ( -7.525 -12.922 -2.466) 15.155 18.494 ( 9.506 5.353 5.126) 12.054 18.809 ( -2.072 1.732 1.405) 3.044 ======================= Grid point 17 (12/80) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.000 12.787 0.000) 12.787 1.811 ( -0.000 5.214 0.000) 5.214 1.968 ( 0.000 13.929 0.000) 13.929 1.970 ( -0.000 8.384 -0.000) 8.384 2.058 ( 0.000 8.805 -0.000) 8.805 2.119 ( 0.000 1.011 -0.000) 1.011 2.229 ( -0.000 18.580 0.000) 18.580 2.493 ( 0.000 8.018 0.000) 8.018 2.536 ( -0.000 -8.074 -0.000) 8.074 2.583 ( 0.000 -2.595 -0.000) 2.595 2.784 ( -0.000 -9.888 0.000) 9.888 2.877 ( 0.000 2.175 -0.000) 2.175 2.982 ( 0.000 7.372 -0.000) 7.372 2.998 ( -0.000 5.824 0.000) 5.824 3.050 ( -0.000 3.662 -0.000) 3.662 3.123 ( 0.000 -1.537 0.000) 1.537 3.305 ( 0.000 9.540 0.000) 9.540 3.404 ( -0.000 6.458 -0.000) 6.458 3.448 ( 0.000 5.291 0.000) 5.291 3.457 ( -0.000 -2.422 -0.000) 2.422 3.599 ( -0.000 -0.437 0.000) 0.437 3.772 ( 0.000 10.962 0.000) 10.962 4.036 ( -0.000 -1.324 0.000) 1.324 4.083 ( 0.000 1.238 0.000) 1.238 4.103 ( -0.000 1.793 -0.000) 1.793 4.175 ( -0.000 -4.642 -0.000) 4.642 4.201 ( -0.000 -8.645 -0.000) 8.645 4.290 ( -0.000 6.014 0.000) 6.014 4.422 ( -0.000 6.508 0.000) 6.508 4.531 ( 0.000 4.044 0.000) 4.044 4.621 ( 0.000 5.022 -0.000) 5.022 4.734 ( -0.000 3.688 -0.000) 3.688 4.769 ( 0.000 4.370 0.000) 4.370 4.925 ( -0.000 2.186 0.000) 2.186 4.939 ( -0.000 0.823 -0.000) 0.823 5.001 ( 0.000 -3.070 0.000) 3.070 5.105 ( 0.000 0.036 0.000) 0.036 5.164 ( -0.000 -3.515 0.000) 3.515 5.174 ( 0.000 1.204 -0.000) 1.204 5.256 ( 0.000 -1.317 -0.000) 1.317 5.311 ( 0.000 -2.032 -0.000) 2.032 5.349 ( 0.000 -1.420 -0.000) 1.420 5.393 ( -0.000 0.006 0.000) 0.006 5.578 ( 0.000 -3.461 -0.000) 3.461 5.627 ( 0.000 -1.233 0.000) 1.233 5.800 ( -0.000 6.782 -0.000) 6.782 5.938 ( -0.000 -2.464 -0.000) 2.464 5.957 ( 0.000 -7.587 0.000) 7.587 6.065 ( -0.000 0.543 0.000) 0.543 6.182 ( 0.000 -9.429 -0.000) 9.429 6.265 ( 0.000 -5.220 -0.000) 5.220 6.390 ( -0.000 -7.504 0.000) 7.504 6.646 ( 0.000 2.200 0.000) 2.200 6.729 ( 0.000 -2.104 0.000) 2.104 6.754 ( -0.000 3.731 -0.000) 3.731 6.811 ( -0.000 -8.129 -0.000) 8.129 7.005 ( -0.000 -6.178 0.000) 6.178 7.025 ( 0.000 -3.504 -0.000) 3.504 7.064 ( 0.000 -1.585 0.000) 1.585 7.190 ( 0.000 -13.482 0.000) 13.482 7.383 ( 0.000 -3.263 -0.000) 3.263 7.441 ( -0.000 -0.266 -0.000) 0.266 7.525 ( -0.000 0.461 0.000) 0.461 7.655 ( 0.000 -3.622 -0.000) 3.622 7.889 ( 0.000 6.280 0.000) 6.280 8.057 ( 0.000 -2.474 -0.000) 2.474 8.088 ( -0.000 3.219 0.000) 3.219 8.120 ( 0.000 -4.315 -0.000) 4.315 8.324 ( -0.000 -6.390 0.000) 6.390 8.399 ( -0.000 1.233 -0.000) 1.233 8.467 ( 0.000 -1.299 0.000) 1.299 8.569 ( -0.000 2.428 -0.000) 2.428 8.635 ( 0.000 2.630 0.000) 2.630 8.847 ( 0.000 -0.302 0.000) 0.302 8.853 ( -0.000 -1.156 -0.000) 1.156 8.977 ( -0.000 5.590 0.000) 5.590 9.060 ( 0.000 5.185 -0.000) 5.185 9.147 ( 0.000 1.813 0.000) 1.813 9.286 ( 0.000 10.923 0.000) 10.923 9.533 ( 0.000 11.165 -0.000) 11.165 12.269 ( 0.000 7.579 0.000) 7.579 12.359 ( 0.000 11.458 0.000) 11.458 13.092 ( 0.000 -9.296 0.000) 9.296 13.339 ( -0.000 -4.285 -0.000) 4.285 13.691 ( -0.000 -4.431 -0.000) 4.431 13.742 ( 0.000 -0.120 0.000) 0.120 13.889 ( 0.000 4.351 0.000) 4.351 13.928 ( 0.000 -1.341 -0.000) 1.341 14.421 ( 0.000 -14.556 0.000) 14.556 14.552 ( -0.000 -7.466 -0.000) 7.466 14.782 ( 0.000 24.804 -0.000) 24.804 15.072 ( 0.000 23.767 0.000) 23.767 15.939 ( 0.000 -2.166 -0.000) 2.166 15.957 ( 0.000 1.191 0.000) 1.191 15.987 ( 0.000 -1.360 0.000) 1.360 16.025 ( -0.000 1.566 -0.000) 1.566 16.233 ( -0.000 -0.972 0.000) 0.972 16.279 ( 0.000 -0.368 0.000) 0.368 16.504 ( 0.000 0.590 0.000) 0.590 16.535 ( -0.000 0.505 -0.000) 0.505 17.641 ( 0.000 -15.451 -0.000) 15.451 17.848 ( 0.000 -1.786 -0.000) 1.786 17.941 ( -0.000 0.343 -0.000) 0.343 18.061 ( -0.000 0.295 0.000) 0.295 18.214 ( 0.000 -21.442 0.000) 21.442 18.338 ( -0.000 -9.088 0.000) 9.088 18.683 ( 0.000 5.011 0.000) 5.011 18.728 ( -0.000 4.745 -0.000) 4.745 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 25.826 0.000) 25.826 2.049 ( 0.000 11.903 0.000) 11.903 2.159 ( 0.000 -0.210 0.000) 0.210 2.239 ( 0.000 25.080 0.000) 25.080 2.264 ( 0.000 8.672 0.000) 8.672 2.310 ( 0.000 8.088 0.000) 8.088 2.490 ( 0.000 -3.866 0.000) 3.866 2.549 ( 0.000 -2.633 0.000) 2.633 2.645 ( 0.000 11.217 0.000) 11.217 2.759 ( 0.000 14.481 0.000) 14.481 2.962 ( 0.000 -5.299 0.000) 5.299 2.975 ( 0.000 -6.443 0.000) 6.443 3.059 ( 0.000 -1.673 0.000) 1.673 3.224 ( 0.000 -3.279 0.000) 3.279 3.271 ( 0.000 7.200 0.000) 7.200 3.275 ( 0.000 -7.008 0.000) 7.008 3.301 ( 0.000 11.728 0.000) 11.728 3.483 ( 0.000 11.814 0.000) 11.814 3.489 ( 0.000 3.806 0.000) 3.806 3.596 ( 0.000 -7.119 0.000) 7.119 3.726 ( 0.000 8.904 0.000) 8.904 3.762 ( 0.000 0.315 0.000) 0.315 3.880 ( 0.000 -2.294 0.000) 2.294 4.022 ( 0.000 2.621 0.000) 2.621 4.105 ( 0.000 -2.319 0.000) 2.319 4.147 ( 0.000 1.802 0.000) 1.802 4.233 ( 0.000 5.874 0.000) 5.874 4.294 ( 0.000 -8.422 0.000) 8.422 4.391 ( 0.000 -1.413 0.000) 1.413 4.474 ( 0.000 -2.325 0.000) 2.325 4.657 ( 0.000 -5.783 0.000) 5.783 4.672 ( 0.000 -1.031 0.000) 1.031 4.823 ( 0.000 3.051 0.000) 3.051 4.873 ( 0.000 3.979 0.000) 3.979 4.883 ( 0.000 -1.718 0.000) 1.718 5.060 ( 0.000 6.294 0.000) 6.294 5.083 ( 0.000 1.568 0.000) 1.568 5.143 ( 0.000 -1.252 0.000) 1.252 5.146 ( 0.000 0.507 0.000) 0.507 5.330 ( 0.000 3.012 0.000) 3.012 5.347 ( 0.000 9.807 0.000) 9.807 5.379 ( 0.000 -4.755 0.000) 4.755 5.492 ( 0.000 -6.621 0.000) 6.621 5.560 ( 0.000 6.200 0.000) 6.200 5.576 ( 0.000 -7.797 0.000) 7.797 5.700 ( 0.000 -1.783 0.000) 1.783 5.705 ( 0.000 0.569 0.000) 0.569 5.817 ( 0.000 -1.058 0.000) 1.058 6.114 ( 0.000 -6.372 0.000) 6.372 6.178 ( 0.000 -10.402 0.000) 10.402 6.195 ( 0.000 -4.291 0.000) 4.291 6.422 ( 0.000 -4.833 0.000) 4.833 6.509 ( 0.000 -2.535 0.000) 2.535 6.717 ( 0.000 -12.691 0.000) 12.691 6.810 ( 0.000 -5.553 0.000) 5.553 6.836 ( 0.000 6.214 0.000) 6.214 7.056 ( 0.000 -0.718 0.000) 0.718 7.109 ( 0.000 -1.844 0.000) 1.844 7.169 ( 0.000 1.125 0.000) 1.125 7.230 ( 0.000 3.498 0.000) 3.498 7.296 ( 0.000 -6.316 0.000) 6.316 7.369 ( 0.000 -0.698 0.000) 0.698 7.418 ( 0.000 -2.189 0.000) 2.189 7.559 ( 0.000 -3.749 0.000) 3.749 7.620 ( 0.000 -1.940 0.000) 1.940 7.848 ( 0.000 2.518 0.000) 2.518 7.908 ( 0.000 -4.472 0.000) 4.472 7.970 ( 0.000 -2.714 0.000) 2.714 8.363 ( 0.000 4.812 0.000) 4.812 8.413 ( 0.000 9.928 0.000) 9.928 8.597 ( 0.000 1.342 0.000) 1.342 8.658 ( 0.000 4.590 0.000) 4.590 8.738 ( 0.000 -2.772 0.000) 2.772 8.811 ( 0.000 3.698 0.000) 3.698 8.934 ( 0.000 -2.571 0.000) 2.571 8.974 ( 0.000 7.023 0.000) 7.023 9.287 ( 0.000 4.786 0.000) 4.786 9.290 ( 0.000 4.021 0.000) 4.021 9.380 ( 0.000 -4.039 0.000) 4.039 9.414 ( 0.000 4.968 0.000) 4.968 12.419 ( 0.000 7.175 0.000) 7.175 12.797 ( 0.000 2.592 0.000) 2.592 12.896 ( 0.000 -9.453 0.000) 9.453 13.002 ( 0.000 -4.053 0.000) 4.053 13.694 ( 0.000 6.953 0.000) 6.953 13.902 ( 0.000 2.479 0.000) 2.479 14.050 ( 0.000 7.352 0.000) 7.352 14.064 ( 0.000 1.651 0.000) 1.651 14.090 ( 0.000 -1.575 0.000) 1.575 14.762 ( 0.000 -19.784 0.000) 19.784 14.888 ( 0.000 14.097 0.000) 14.097 14.939 ( 0.000 12.363 0.000) 12.363 15.944 ( 0.000 -1.063 0.000) 1.063 15.973 ( 0.000 -0.872 0.000) 0.872 16.008 ( 0.000 2.291 0.000) 2.291 16.058 ( 0.000 4.028 0.000) 4.028 16.250 ( 0.000 0.809 0.000) 0.809 16.303 ( 0.000 0.195 0.000) 0.195 16.492 ( 0.000 -0.142 0.000) 0.142 16.532 ( 0.000 -1.342 0.000) 1.342 17.686 ( 0.000 -2.574 0.000) 2.574 17.826 ( 0.000 5.369 0.000) 5.369 17.948 ( 0.000 -7.099 0.000) 7.099 18.158 ( 0.000 -6.461 0.000) 6.461 18.178 ( 0.000 6.201 0.000) 6.201 18.201 ( 0.000 -6.475 0.000) 6.475 18.375 ( 0.000 -14.730 0.000) 14.730 18.628 ( 0.000 -2.739 0.000) 2.739 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 9.087 19.453 10.157) 23.752 1.963 ( -1.562 1.393 -8.140) 8.405 2.111 ( -2.295 2.817 -5.209) 6.351 2.210 ( -7.233 13.713 5.083) 16.316 2.301 ( 0.393 4.321 5.370) 6.904 2.340 ( 3.979 13.184 -4.563) 14.507 2.448 ( -3.826 3.080 3.438) 5.996 2.583 ( 0.418 10.500 -1.450) 10.607 2.647 ( 2.913 -1.292 6.044) 6.833 2.761 ( -1.418 6.157 -0.030) 6.318 2.880 ( -6.761 -1.755 -2.604) 7.455 2.931 ( -1.148 0.970 1.913) 2.432 3.011 ( -15.871 -4.568 -6.864) 17.885 3.119 ( -2.470 -5.185 -5.592) 8.016 3.212 ( 3.272 5.979 5.178) 8.560 3.278 ( -1.071 8.793 -1.763) 9.031 3.332 ( -3.684 6.443 -6.465) 9.843 3.355 ( -0.917 7.484 3.220) 8.199 3.471 ( -0.516 1.605 3.234) 3.647 3.607 ( -1.306 -4.529 3.682) 5.981 3.724 ( 0.408 6.593 -0.807) 6.655 3.850 ( 3.834 3.303 -1.056) 5.169 3.968 ( 5.358 0.638 -0.945) 5.478 4.060 ( -3.467 1.503 -2.357) 4.454 4.097 ( -0.009 -0.275 -0.272) 0.387 4.138 ( 6.691 -2.699 1.514) 7.372 4.209 ( -1.513 -0.824 -0.398) 1.768 4.361 ( 4.209 -1.142 -0.318) 4.373 4.420 ( 8.455 -0.924 0.820) 8.545 4.515 ( 0.588 1.718 0.462) 1.874 4.620 ( -1.666 0.272 -0.709) 1.830 4.727 ( 1.574 1.091 2.645) 3.266 4.830 ( 1.861 0.156 -0.353) 1.901 4.859 ( -1.231 2.631 0.822) 3.019 4.919 ( 1.106 0.327 1.021) 1.540 4.988 ( -1.959 2.307 -4.107) 5.101 5.028 ( -2.495 4.755 0.806) 5.430 5.143 ( -0.662 -2.493 -0.926) 2.741 5.190 ( 1.249 0.983 3.380) 3.735 5.290 ( -1.615 -3.381 -4.705) 6.014 5.334 ( 0.302 0.639 1.506) 1.664 5.398 ( 1.310 6.453 -0.341) 6.594 5.464 ( -6.072 -4.989 -0.399) 7.868 5.560 ( -2.008 1.248 -1.683) 2.902 5.646 ( 7.085 -7.205 1.032) 10.157 5.689 ( -0.665 -1.591 0.767) 1.888 5.791 ( 9.069 3.146 -2.179) 9.844 5.814 ( 0.281 -1.261 2.132) 2.493 6.066 ( -7.740 -6.951 -1.873) 10.570 6.117 ( -3.392 -7.381 -0.267) 8.127 6.215 ( 2.844 -5.824 1.424) 6.636 6.387 ( -2.948 -7.154 -2.906) 8.265 6.552 ( 4.054 -1.081 -1.079) 4.332 6.640 ( -2.880 -3.061 1.895) 4.611 6.782 ( -3.412 -3.439 -0.570) 4.877 6.809 ( -1.676 -5.673 -0.987) 5.997 7.037 ( -4.826 -4.068 -2.161) 6.671 7.079 ( -5.538 5.506 3.185) 8.434 7.161 ( 1.972 1.625 -1.043) 2.760 7.184 ( -5.241 -1.340 -2.136) 5.816 7.336 ( 3.034 -1.430 6.471) 7.289 7.382 ( -2.695 -2.267 4.921) 6.051 7.451 ( 4.454 -2.125 -3.438) 6.014 7.541 ( 1.523 -3.268 -4.772) 5.981 7.648 ( 2.610 -6.006 1.039) 6.631 7.875 ( 2.697 -1.407 5.287) 6.100 7.989 ( 2.093 -1.316 6.262) 6.732 8.080 ( 5.631 0.167 5.208) 7.672 8.331 ( -2.157 7.256 -2.884) 8.100 8.399 ( -0.819 3.965 1.740) 4.407 8.606 ( 0.817 -1.440 -4.460) 4.758 8.635 ( 1.103 2.817 -5.263) 6.071 8.730 ( -0.806 -1.161 0.305) 1.446 8.810 ( -1.184 5.456 0.997) 5.671 8.894 ( -2.618 -0.665 -3.831) 4.688 8.980 ( 2.339 5.034 -0.703) 5.595 9.093 ( -5.867 3.542 -1.091) 6.940 9.306 ( -2.136 -2.774 -2.008) 4.036 9.467 ( 4.328 5.621 1.698) 7.295 9.538 ( 6.633 5.931 4.211) 9.844 12.419 ( -0.210 7.215 0.310) 7.225 12.715 ( -5.682 6.264 -0.342) 8.463 12.911 ( 0.364 -10.193 -0.232) 10.202 13.074 ( 5.694 -6.575 0.820) 8.736 13.705 ( -0.829 5.841 2.171) 6.286 13.834 ( -3.715 1.611 -4.053) 5.729 13.956 ( -3.626 1.401 -3.488) 5.223 13.996 ( -5.232 1.354 0.682) 5.447 14.113 ( 1.632 3.006 -2.162) 4.046 14.718 ( -2.569 -20.619 -4.881) 21.344 14.998 ( 10.165 19.860 6.104) 23.130 15.208 ( 14.777 16.200 9.224) 23.788 15.937 ( -0.751 -0.652 0.135) 1.004 15.971 ( -0.452 -1.450 0.468) 1.589 16.036 ( 2.047 0.777 2.230) 3.125 16.079 ( -0.259 1.882 2.491) 3.132 16.195 ( -3.400 1.769 -1.384) 4.075 16.305 ( -1.983 0.230 -2.588) 3.268 16.408 ( -4.018 -0.413 -2.295) 4.645 16.420 ( -4.637 -0.631 -3.248) 5.696 17.648 ( -3.539 -4.771 -2.057) 6.287 17.840 ( 1.359 3.785 0.163) 4.025 17.909 ( -3.380 -8.022 -1.491) 8.832 18.103 ( -3.105 -3.590 1.279) 4.916 18.115 ( -3.563 -10.747 -6.823) 13.219 18.310 ( -4.354 -13.587 -3.247) 14.632 18.368 ( 10.206 7.101 5.764) 13.704 18.719 ( 4.881 -2.527 5.004) 7.433 ======================= Grid point 23 (15/80) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 2.676 -4.725 -10.968) 12.238 1.991 ( -1.848 3.989 -4.157) 6.050 2.031 ( -3.706 8.290 10.291) 13.725 2.098 ( -5.631 -8.184 5.554) 11.381 2.173 ( -9.090 -0.078 -10.739) 14.070 2.347 ( -5.298 1.370 1.228) 5.608 2.366 ( -1.682 10.008 -8.227) 13.064 2.605 ( -10.437 -0.978 -0.756) 10.510 2.660 ( 3.953 9.952 -0.757) 10.735 2.763 ( -4.060 5.799 7.391) 10.234 2.800 ( 0.328 4.984 -0.487) 5.019 2.862 ( 4.665 1.188 -0.577) 4.848 2.944 ( 2.144 9.040 11.279) 14.613 3.033 ( -3.743 -2.560 -1.370) 4.737 3.168 ( 1.698 8.857 -6.295) 10.998 3.258 ( -0.013 7.703 -3.828) 8.602 3.348 ( 5.422 4.173 3.316) 7.603 3.434 ( 3.068 5.658 0.869) 6.494 3.509 ( -0.449 5.892 5.950) 8.385 3.607 ( -3.477 -0.682 5.383) 6.444 3.696 ( -4.143 8.223 1.020) 9.264 3.861 ( 2.266 -0.484 -1.606) 2.820 3.973 ( -1.707 -4.140 0.171) 4.482 4.040 ( 2.454 -2.381 -3.020) 4.562 4.099 ( 1.839 5.472 -3.820) 6.923 4.203 ( 3.164 4.496 -1.119) 5.610 4.261 ( 1.277 -3.824 0.983) 4.149 4.417 ( -5.080 0.417 -5.285) 7.343 4.467 ( 0.548 4.273 3.781) 5.732 4.613 ( 0.390 5.224 2.011) 5.611 4.625 ( 8.853 1.380 3.783) 9.726 4.788 ( 4.506 3.345 1.598) 5.835 4.854 ( 1.270 1.177 -0.778) 1.898 4.881 ( 4.136 3.567 -3.563) 6.522 4.933 ( -0.490 1.842 2.322) 3.004 4.991 ( -0.238 3.754 -1.880) 4.205 5.016 ( 1.298 -1.908 1.296) 2.647 5.103 ( -1.789 -4.123 0.829) 4.570 5.195 ( -3.456 -2.895 -4.194) 6.158 5.234 ( 0.806 -0.440 0.242) 0.949 5.307 ( -4.103 0.849 1.713) 4.526 5.361 ( -0.836 -0.607 -1.020) 1.452 5.458 ( 3.037 -5.298 -1.118) 6.208 5.501 ( -1.301 3.536 -0.283) 3.779 5.704 ( -3.044 1.039 1.443) 3.525 5.716 ( 1.526 -3.825 -1.424) 4.358 5.789 ( -1.180 -7.270 -3.394) 8.110 5.917 ( 3.360 -4.973 1.235) 6.128 5.960 ( -1.529 -5.004 2.615) 5.850 6.102 ( 3.939 -0.390 -3.486) 5.275 6.248 ( -1.389 -2.214 0.858) 2.751 6.284 ( -4.368 -7.716 -1.755) 9.039 6.588 ( -0.720 -2.365 -2.732) 3.684 6.670 ( -2.073 -2.888 0.292) 3.567 6.683 ( 3.362 -0.154 2.054) 3.943 6.804 ( 0.507 -10.892 -0.263) 10.907 6.922 ( -3.125 -1.765 0.247) 3.598 7.034 ( -3.885 -1.410 -2.005) 4.593 7.063 ( -6.411 3.049 4.427) 8.366 7.127 ( -4.162 0.725 -3.395) 5.420 7.324 ( -1.051 -2.774 2.672) 3.993 7.446 ( 0.740 1.396 4.817) 5.069 7.518 ( 3.391 -2.035 -7.296) 8.299 7.556 ( 2.531 -0.802 3.890) 4.709 7.756 ( 5.223 -9.974 2.294) 11.490 7.959 ( 2.341 -2.693 -0.016) 3.568 8.060 ( -0.221 2.009 6.463) 6.772 8.204 ( 1.366 3.545 1.348) 4.031 8.305 ( -0.470 1.417 2.171) 2.635 8.375 ( -2.085 0.495 -0.245) 2.157 8.502 ( -5.077 -1.672 -2.777) 6.023 8.603 ( 0.825 0.642 -5.247) 5.351 8.712 ( -0.542 0.242 -2.044) 2.128 8.797 ( 1.283 2.721 -2.073) 3.653 8.849 ( -0.451 -0.562 1.844) 1.980 9.017 ( 2.746 3.515 -1.474) 4.697 9.089 ( 2.912 3.534 2.176) 5.070 9.250 ( -2.162 0.594 -1.691) 2.809 9.520 ( 0.785 9.320 0.040) 9.353 9.673 ( 3.741 6.702 2.377) 8.035 12.418 ( -0.209 7.260 0.292) 7.269 12.622 ( -3.474 10.021 -0.218) 10.609 12.907 ( -0.185 -9.820 -0.547) 9.837 13.178 ( 3.644 -8.716 0.819) 9.482 13.650 ( -2.093 0.136 -2.614) 3.351 13.784 ( -3.272 -1.832 -4.111) 5.565 13.870 ( 0.293 1.257 5.975) 6.113 13.969 ( -1.151 3.196 1.735) 3.814 14.134 ( 2.592 1.437 -0.139) 2.967 14.563 ( -6.048 -16.014 -9.679) 19.665 15.241 ( 7.582 26.329 3.807) 27.662 15.497 ( 6.823 23.337 2.491) 24.441 15.921 ( -0.558 -0.894 -0.588) 1.207 15.967 ( -0.664 -1.483 0.726) 1.780 16.024 ( -2.970 1.210 -1.281) 3.454 16.092 ( -0.227 0.062 -3.852) 3.859 16.193 ( -1.415 -0.584 3.407) 3.735 16.238 ( 2.121 -0.005 6.308) 6.655 16.366 ( 2.773 -1.720 3.614) 4.869 16.461 ( 4.248 -0.692 3.551) 5.580 17.477 ( -9.879 -12.404 -6.956) 17.315 17.775 ( -5.880 -14.947 -4.087) 16.574 17.900 ( 2.673 0.839 -0.170) 2.807 17.957 ( -2.500 -6.557 -7.132) 10.006 18.072 ( -2.624 -2.960 1.145) 4.118 18.199 ( -3.447 -10.308 -2.127) 11.075 18.617 ( 9.012 6.371 5.775) 12.457 18.825 ( 1.055 -0.202 2.693) 2.900 ======================= Grid point 24 (16/80) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 -8.340 -0.000) 8.340 1.894 ( -0.000 -0.350 0.000) 0.350 1.985 ( 0.000 0.342 -0.000) 0.342 2.036 ( -0.000 -15.454 0.000) 15.454 2.127 ( 0.000 -0.115 0.000) 0.115 2.164 ( 0.000 1.448 -0.000) 1.448 2.401 ( 0.000 15.154 -0.000) 15.154 2.512 ( -0.000 1.863 0.000) 1.863 2.721 ( 0.000 12.677 -0.000) 12.677 2.723 ( -0.000 2.818 0.000) 2.818 2.808 ( -0.000 16.241 0.000) 16.241 2.830 ( 0.000 -5.297 -0.000) 5.297 2.984 ( -0.000 -1.059 0.000) 1.059 3.080 ( -0.000 2.006 -0.000) 2.006 3.193 ( -0.000 9.082 0.000) 9.082 3.240 ( 0.000 9.454 -0.000) 9.454 3.443 ( -0.000 3.543 -0.000) 3.543 3.493 ( 0.000 3.403 0.000) 3.403 3.541 ( 0.000 9.354 -0.000) 9.354 3.572 ( -0.000 0.954 0.000) 0.954 3.662 ( -0.000 11.804 -0.000) 11.804 3.926 ( 0.000 0.575 0.000) 0.575 3.971 ( 0.000 -7.862 0.000) 7.862 4.025 ( -0.000 -5.530 -0.000) 5.530 4.087 ( -0.000 7.718 0.000) 7.718 4.167 ( 0.000 2.024 -0.000) 2.024 4.260 ( 0.000 7.687 0.000) 7.687 4.345 ( -0.000 -0.756 0.000) 0.756 4.518 ( 0.000 3.778 0.000) 3.778 4.612 ( -0.000 3.651 0.000) 3.651 4.765 ( -0.000 7.687 -0.000) 7.687 4.850 ( 0.000 2.662 0.000) 2.662 4.863 ( 0.000 5.787 0.000) 5.787 4.905 ( 0.000 -2.376 -0.000) 2.376 4.922 ( -0.000 1.095 0.000) 1.095 4.978 ( -0.000 2.230 0.000) 2.230 5.031 ( 0.000 -7.618 0.000) 7.618 5.102 ( -0.000 -2.912 0.000) 2.912 5.136 ( 0.000 -2.968 0.000) 2.968 5.249 ( 0.000 -2.892 0.000) 2.892 5.275 ( 0.000 2.695 -0.000) 2.695 5.397 ( 0.000 0.453 0.000) 0.453 5.397 ( -0.000 3.011 -0.000) 3.011 5.518 ( -0.000 -0.018 0.000) 0.018 5.639 ( -0.000 -0.536 0.000) 0.536 5.744 ( -0.000 -7.456 -0.000) 7.456 5.782 ( 0.000 -7.938 0.000) 7.938 5.946 ( 0.000 -1.994 0.000) 1.994 5.960 ( 0.000 -9.669 -0.000) 9.669 6.137 ( -0.000 5.594 0.000) 5.594 6.206 ( -0.000 -8.734 0.000) 8.734 6.232 ( 0.000 0.132 -0.000) 0.132 6.545 ( 0.000 -6.756 -0.000) 6.756 6.702 ( 0.000 -0.819 0.000) 0.819 6.724 ( -0.000 -7.499 -0.000) 7.499 6.833 ( -0.000 2.928 -0.000) 2.928 6.891 ( 0.000 -5.086 -0.000) 5.086 6.949 ( 0.000 -8.783 0.000) 8.783 7.012 ( -0.000 2.075 0.000) 2.075 7.066 ( 0.000 1.864 0.000) 1.864 7.340 ( 0.000 1.418 0.000) 1.418 7.478 ( 0.000 3.824 -0.000) 3.824 7.505 ( -0.000 -3.254 0.000) 3.254 7.609 ( 0.000 -2.582 -0.000) 2.582 7.823 ( -0.000 -12.247 0.000) 12.247 7.970 ( 0.000 0.242 -0.000) 0.242 8.164 ( -0.000 2.394 -0.000) 2.394 8.175 ( 0.000 2.981 0.000) 2.981 8.223 ( -0.000 1.083 0.000) 1.083 8.413 ( -0.000 -0.772 -0.000) 0.772 8.427 ( 0.000 -2.407 0.000) 2.407 8.583 ( 0.000 -1.545 -0.000) 1.545 8.691 ( 0.000 1.952 0.000) 1.952 8.817 ( 0.000 -2.257 -0.000) 2.257 8.851 ( -0.000 2.680 0.000) 2.680 9.047 ( -0.000 1.246 0.000) 1.246 9.160 ( -0.000 4.444 -0.000) 4.444 9.195 ( 0.000 2.732 0.000) 2.732 9.521 ( 0.000 11.527 0.000) 11.527 9.720 ( 0.000 6.800 -0.000) 6.800 12.417 ( 0.000 7.272 0.000) 7.272 12.587 ( 0.000 11.248 0.000) 11.248 12.901 ( 0.000 -9.549 0.000) 9.549 13.215 ( -0.000 -8.200 -0.000) 8.200 13.630 ( 0.000 -1.852 -0.000) 1.852 13.708 ( 0.000 -2.981 0.000) 2.981 13.936 ( 0.000 1.710 -0.000) 1.710 13.963 ( -0.000 2.232 0.000) 2.232 14.206 ( 0.000 -5.580 0.000) 5.580 14.390 ( -0.000 -7.717 -0.000) 7.717 15.328 ( 0.000 27.902 -0.000) 27.902 15.549 ( 0.000 22.287 0.000) 22.287 15.914 ( 0.000 -0.296 -0.000) 0.296 15.963 ( 0.000 -1.307 0.000) 1.307 15.997 ( 0.000 3.498 0.000) 3.498 16.043 ( -0.000 0.058 -0.000) 0.058 16.217 ( -0.000 -0.274 0.000) 0.274 16.271 ( 0.000 -0.034 0.000) 0.034 16.518 ( 0.000 0.756 0.000) 0.756 16.546 ( -0.000 0.437 -0.000) 0.437 17.283 ( 0.000 -19.516 -0.000) 19.516 17.668 ( 0.000 -23.132 0.000) 23.132 17.890 ( 0.000 -2.914 0.000) 2.914 17.949 ( -0.000 0.455 -0.000) 0.455 18.043 ( -0.000 -1.796 0.000) 1.796 18.156 ( -0.000 -8.729 0.000) 8.729 18.775 ( 0.000 3.901 0.000) 3.901 18.808 ( -0.000 3.023 -0.000) 3.023 ======================= Grid point 28 (17/80) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 0.000 16.831 0.000) 16.831 2.132 ( 0.000 1.476 0.000) 1.476 2.156 ( 0.000 2.512 0.000) 2.512 2.252 ( 0.000 -7.844 0.000) 7.844 2.338 ( 0.000 2.039 0.000) 2.039 2.454 ( 0.000 -7.019 0.000) 7.019 2.652 ( 0.000 9.391 0.000) 9.391 2.668 ( 0.000 8.463 0.000) 8.463 2.762 ( 0.000 -0.459 0.000) 0.459 2.821 ( 0.000 -2.705 0.000) 2.705 2.871 ( 0.000 6.283 0.000) 6.283 3.007 ( 0.000 -0.895 0.000) 0.895 3.091 ( 0.000 3.204 0.000) 3.204 3.128 ( 0.000 -5.201 0.000) 5.201 3.177 ( 0.000 2.257 0.000) 2.257 3.362 ( 0.000 7.410 0.000) 7.410 3.385 ( 0.000 -10.854 0.000) 10.854 3.544 ( 0.000 -1.906 0.000) 1.906 3.614 ( 0.000 6.981 0.000) 6.981 3.616 ( 0.000 3.418 0.000) 3.418 3.751 ( 0.000 7.740 0.000) 7.740 3.879 ( 0.000 1.373 0.000) 1.373 3.887 ( 0.000 0.218 0.000) 0.218 3.984 ( 0.000 -6.592 0.000) 6.592 4.112 ( 0.000 -2.435 0.000) 2.435 4.124 ( 0.000 4.725 0.000) 4.725 4.252 ( 0.000 -1.413 0.000) 1.413 4.261 ( 0.000 -6.604 0.000) 6.604 4.372 ( 0.000 4.878 0.000) 4.878 4.420 ( 0.000 1.124 0.000) 1.124 4.616 ( 0.000 0.433 0.000) 0.433 4.655 ( 0.000 -2.117 0.000) 2.117 4.858 ( 0.000 -0.709 0.000) 0.709 4.861 ( 0.000 -0.585 0.000) 0.585 4.990 ( 0.000 5.853 0.000) 5.853 5.063 ( 0.000 -3.169 0.000) 3.169 5.136 ( 0.000 2.009 0.000) 2.009 5.143 ( 0.000 1.124 0.000) 1.124 5.172 ( 0.000 4.950 0.000) 4.950 5.333 ( 0.000 0.290 0.000) 0.290 5.347 ( 0.000 -8.038 0.000) 8.038 5.383 ( 0.000 -6.770 0.000) 6.770 5.462 ( 0.000 8.087 0.000) 8.087 5.544 ( 0.000 3.318 0.000) 3.318 5.676 ( 0.000 5.357 0.000) 5.357 5.717 ( 0.000 2.562 0.000) 2.562 5.799 ( 0.000 5.710 0.000) 5.710 5.830 ( 0.000 2.229 0.000) 2.229 5.933 ( 0.000 -10.397 0.000) 10.397 5.980 ( 0.000 -7.676 0.000) 7.676 6.093 ( 0.000 -0.757 0.000) 0.757 6.258 ( 0.000 -11.944 0.000) 11.944 6.492 ( 0.000 0.300 0.000) 0.300 6.530 ( 0.000 -4.648 0.000) 4.648 6.772 ( 0.000 1.833 0.000) 1.833 6.850 ( 0.000 -4.235 0.000) 4.235 7.065 ( 0.000 2.918 0.000) 2.918 7.128 ( 0.000 2.263 0.000) 2.263 7.157 ( 0.000 -5.732 0.000) 5.732 7.167 ( 0.000 -1.751 0.000) 1.751 7.357 ( 0.000 6.100 0.000) 6.100 7.380 ( 0.000 0.455 0.000) 0.455 7.393 ( 0.000 2.622 0.000) 2.622 7.528 ( 0.000 -6.486 0.000) 6.486 7.564 ( 0.000 3.569 0.000) 3.569 7.714 ( 0.000 -10.599 0.000) 10.599 7.904 ( 0.000 2.874 0.000) 2.874 7.953 ( 0.000 -1.745 0.000) 1.745 8.467 ( 0.000 4.843 0.000) 4.843 8.525 ( 0.000 0.242 0.000) 0.242 8.639 ( 0.000 2.682 0.000) 2.682 8.689 ( 0.000 -2.175 0.000) 2.175 8.764 ( 0.000 5.671 0.000) 5.671 8.867 ( 0.000 -4.322 0.000) 4.322 8.917 ( 0.000 7.857 0.000) 7.857 9.054 ( 0.000 -2.128 0.000) 2.128 9.261 ( 0.000 -0.672 0.000) 0.672 9.301 ( 0.000 -2.035 0.000) 2.035 9.435 ( 0.000 4.636 0.000) 4.636 9.478 ( 0.000 0.691 0.000) 0.691 12.561 ( 0.000 7.266 0.000) 7.266 12.716 ( 0.000 -8.395 0.000) 8.395 12.856 ( 0.000 3.330 0.000) 3.330 12.927 ( 0.000 -3.666 0.000) 3.666 13.847 ( 0.000 7.473 0.000) 7.473 13.927 ( 0.000 -0.363 0.000) 0.363 14.058 ( 0.000 -0.411 0.000) 0.411 14.078 ( 0.000 -0.945 0.000) 0.945 14.196 ( 0.000 7.044 0.000) 7.044 14.394 ( 0.000 -14.444 0.000) 14.444 15.106 ( 0.000 6.723 0.000) 6.723 15.131 ( 0.000 4.471 0.000) 4.471 15.923 ( 0.000 -0.523 0.000) 0.523 15.933 ( 0.000 -1.612 0.000) 1.612 16.109 ( 0.000 6.026 0.000) 6.026 16.159 ( 0.000 4.310 0.000) 4.310 16.234 ( 0.000 -1.803 0.000) 1.803 16.276 ( 0.000 -3.026 0.000) 3.026 16.495 ( 0.000 0.417 0.000) 0.417 16.509 ( 0.000 -0.964 0.000) 0.964 17.670 ( 0.000 1.790 0.000) 1.790 17.776 ( 0.000 -8.392 0.000) 8.392 17.929 ( 0.000 4.995 0.000) 4.995 18.036 ( 0.000 -5.734 0.000) 5.734 18.067 ( 0.000 -1.108 0.000) 1.108 18.138 ( 0.000 -8.177 0.000) 8.177 18.394 ( 0.000 9.210 0.000) 9.210 18.544 ( 0.000 -5.830 0.000) 5.830 ======================= Grid point 29 (18/80) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -9.646 2.062 -5.719) 11.401 2.033 ( -12.439 -7.906 4.352) 15.368 2.174 ( -1.112 5.909 3.378) 6.897 2.209 ( -0.325 5.254 -0.550) 5.293 2.374 ( -0.799 5.867 0.484) 5.941 2.546 ( -5.647 4.493 -2.904) 7.779 2.567 ( 4.570 -2.588 7.231) 8.937 2.643 ( -6.616 -6.871 -3.814) 10.272 2.737 ( -0.635 8.842 0.220) 8.867 2.817 ( 5.429 5.463 -5.814) 9.650 2.862 ( -8.705 -7.211 -4.911) 12.325 2.898 ( 1.131 1.530 -5.036) 5.384 3.056 ( -2.881 5.263 4.905) 7.749 3.130 ( -0.975 11.434 2.285) 11.700 3.229 ( 2.595 -6.031 8.807) 10.984 3.321 ( -1.853 -4.784 0.494) 5.154 3.381 ( -1.907 -1.161 3.772) 4.383 3.464 ( -6.179 -1.757 -1.218) 6.538 3.573 ( 0.190 11.905 -2.933) 12.262 3.643 ( 1.693 7.311 1.020) 7.574 3.793 ( 2.359 -2.272 -2.667) 4.223 3.849 ( -2.582 1.054 0.325) 2.808 3.927 ( 4.155 -3.537 0.888) 5.528 3.996 ( -2.522 -6.346 2.954) 7.440 4.142 ( 4.819 3.195 -3.232) 6.624 4.198 ( -0.163 1.153 -0.138) 1.173 4.243 ( 6.142 4.923 -2.332) 8.210 4.319 ( 8.329 -2.316 -2.531) 9.008 4.423 ( 5.994 3.779 0.844) 7.136 4.525 ( 4.841 -1.189 -0.266) 4.992 4.633 ( 2.183 -0.120 -0.040) 2.187 4.667 ( 2.694 -4.895 -0.697) 5.631 4.883 ( -1.131 1.400 6.259) 6.513 4.890 ( 1.059 1.159 2.879) 3.280 4.981 ( -0.619 5.410 1.612) 5.679 5.019 ( -2.670 2.807 -2.131) 4.422 5.080 ( -3.085 -1.822 -2.987) 4.665 5.130 ( -2.261 -5.662 3.686) 7.124 5.162 ( -0.560 5.691 -0.337) 5.728 5.286 ( -0.553 -2.176 -4.543) 5.067 5.335 ( -3.227 -0.734 3.140) 4.562 5.407 ( -2.984 1.686 0.224) 3.435 5.469 ( 5.901 -0.509 -3.069) 6.671 5.547 ( 0.679 -3.057 -1.437) 3.445 5.640 ( -2.664 8.265 -4.193) 9.643 5.713 ( 0.199 3.805 1.813) 4.219 5.847 ( -0.514 -3.390 -3.212) 4.699 5.876 ( 1.047 7.480 0.929) 7.610 5.888 ( -7.572 -9.662 -1.308) 12.345 5.960 ( 7.021 -3.147 0.456) 7.707 6.090 ( 2.679 -4.114 0.548) 4.939 6.197 ( -2.359 -10.882 -2.950) 11.519 6.549 ( 5.065 0.410 0.115) 5.083 6.575 ( 2.798 -2.277 1.953) 4.102 6.716 ( -4.772 0.052 -2.524) 5.399 6.768 ( -5.644 -3.156 -2.870) 7.075 6.994 ( -4.365 1.456 -1.897) 4.977 7.079 ( -4.497 -5.623 -2.142) 7.511 7.161 ( 0.307 3.099 1.291) 3.371 7.220 ( -1.609 -1.731 3.344) 4.095 7.352 ( -1.678 5.533 1.957) 6.104 7.392 ( 4.152 1.979 -2.246) 5.119 7.451 ( 1.883 -0.287 1.772) 2.602 7.482 ( -1.995 -3.341 -0.671) 3.949 7.577 ( 0.837 1.643 4.181) 4.569 7.724 ( 1.001 -10.130 6.463) 12.057 8.019 ( 4.061 2.651 7.395) 8.843 8.067 ( 5.006 -1.820 7.830) 9.470 8.441 ( -1.405 4.527 -2.592) 5.402 8.494 ( -3.077 1.340 0.376) 3.377 8.588 ( -1.412 2.209 -7.995) 8.414 8.672 ( -2.042 -3.720 -2.711) 5.035 8.718 ( -0.437 4.518 -1.944) 4.938 8.819 ( -1.977 -4.812 -3.242) 6.129 8.953 ( 0.437 7.239 -0.260) 7.257 9.055 ( -0.111 -0.865 -1.368) 1.622 9.146 ( -3.772 3.261 -1.666) 5.257 9.228 ( -0.893 -4.281 -1.147) 4.521 9.571 ( 6.673 4.225 2.347) 8.239 9.610 ( 7.071 0.753 3.734) 8.031 12.562 ( 0.001 7.389 0.179) 7.392 12.720 ( 0.189 -8.432 0.210) 8.436 12.836 ( -1.808 5.570 0.432) 5.872 12.951 ( 1.703 -5.915 0.887) 6.219 13.822 ( -4.451 4.638 -1.949) 6.717 13.861 ( -4.167 0.547 -3.033) 5.183 13.957 ( -6.335 1.548 -0.422) 6.535 14.014 ( -5.151 -1.322 4.979) 7.285 14.199 ( 2.829 5.363 -6.046) 8.563 14.370 ( 1.156 -13.187 -6.802) 14.883 15.327 ( 16.576 11.641 8.728) 22.056 15.418 ( 19.637 3.234 10.201) 22.363 15.923 ( -0.585 -0.285 1.327) 1.478 15.935 ( -0.434 -1.482 1.188) 1.949 16.090 ( -1.762 3.826 -1.439) 4.452 16.125 ( -3.944 1.356 -1.635) 4.480 16.224 ( -1.719 1.883 3.485) 4.318 16.284 ( -1.496 -2.649 1.519) 3.401 16.397 ( -5.347 -0.454 -3.173) 6.234 16.401 ( -5.808 -0.891 -3.683) 6.935 17.588 ( -7.126 0.145 -4.425) 8.389 17.692 ( -6.964 -9.927 -4.723) 13.013 17.929 ( 0.189 4.340 0.270) 4.353 18.013 ( -1.891 0.133 -5.035) 5.380 18.020 ( -1.421 -4.560 0.705) 4.828 18.093 ( -2.111 -7.696 -3.480) 8.706 18.523 ( 8.194 7.373 5.839) 12.474 18.646 ( 6.229 -4.868 5.192) 9.458 ======================= Grid point 30 (19/80) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -5.231 -2.154 -7.619) 9.489 1.797 ( -15.474 -12.932 5.860) 21.001 2.064 ( -5.159 4.590 -3.952) 7.956 2.150 ( -7.806 -2.870 -0.142) 8.318 2.226 ( -9.513 7.025 -7.282) 13.889 2.353 ( -12.861 -3.892 -8.809) 16.067 2.496 ( 2.013 7.166 1.563) 7.606 2.665 ( -2.608 -1.742 -4.302) 5.324 2.702 ( -0.512 -0.349 7.696) 7.721 2.740 ( -0.799 -1.512 2.770) 3.255 2.872 ( 2.576 3.918 -3.700) 5.973 2.931 ( 4.743 -2.026 -2.786) 5.862 3.117 ( 0.170 12.387 -0.197) 12.390 3.209 ( 4.058 13.643 12.868) 19.188 3.301 ( -0.296 1.275 -0.441) 1.381 3.342 ( -1.559 -1.123 5.232) 5.574 3.350 ( 3.103 -1.697 -4.797) 5.960 3.481 ( -0.666 -6.802 6.603) 9.504 3.597 ( 6.359 7.998 0.245) 10.220 3.691 ( -0.149 8.370 5.468) 9.999 3.747 ( 1.467 -5.832 -3.019) 6.729 3.865 ( 1.958 2.499 -0.273) 3.186 3.896 ( -6.176 -0.738 6.204) 8.785 4.063 ( 0.119 -4.570 -2.293) 5.115 4.131 ( 3.696 4.749 -1.642) 6.238 4.245 ( 2.466 0.002 -2.510) 3.519 4.288 ( 2.404 4.704 -4.527) 6.957 4.395 ( 1.958 -3.577 -5.697) 7.006 4.568 ( 1.069 4.746 2.182) 5.332 4.628 ( 9.015 -0.739 4.505) 10.104 4.663 ( 2.938 1.526 -0.648) 3.374 4.761 ( 5.738 -6.390 -1.233) 8.676 4.876 ( -2.419 5.042 4.129) 6.951 4.949 ( -2.700 1.802 0.195) 3.252 4.973 ( 0.684 -1.278 4.001) 4.255 4.998 ( -0.642 -0.733 -1.053) 1.435 5.028 ( -1.083 2.629 2.503) 3.788 5.105 ( -3.110 -3.047 0.549) 4.389 5.173 ( 4.026 3.177 -3.120) 6.003 5.227 ( -0.809 2.594 -4.141) 4.953 5.324 ( -1.595 -0.491 4.890) 5.167 5.355 ( -1.353 -2.498 -0.047) 2.842 5.447 ( -3.283 6.729 -4.145) 8.558 5.549 ( -0.995 -1.898 -0.674) 2.247 5.619 ( 2.569 -3.029 -3.669) 5.407 5.680 ( -3.701 -4.122 -3.505) 6.555 5.734 ( 1.290 2.462 0.322) 2.798 5.800 ( -1.346 -5.249 -2.713) 6.060 5.900 ( -1.591 1.332 3.170) 3.788 6.049 ( -3.921 -11.156 -1.213) 11.887 6.152 ( 9.298 4.329 -2.061) 10.462 6.234 ( 4.017 -3.168 0.991) 5.211 6.562 ( -6.929 0.546 -2.704) 7.458 6.617 ( -3.149 -5.268 -3.736) 7.185 6.648 ( 2.862 0.354 1.737) 3.366 6.681 ( 5.348 -1.796 1.325) 5.795 6.897 ( -4.153 1.052 -0.984) 4.395 6.969 ( -5.458 -4.826 -2.333) 7.650 7.135 ( -2.747 2.437 1.013) 3.809 7.148 ( -6.158 1.035 0.476) 6.263 7.360 ( 0.132 4.098 4.834) 6.339 7.434 ( 0.314 -0.150 1.339) 1.384 7.483 ( 1.817 -4.919 -0.447) 5.263 7.510 ( 2.633 -2.234 -0.867) 3.560 7.682 ( 2.955 4.153 5.375) 7.407 7.823 ( 3.113 -8.322 3.684) 9.619 8.136 ( 0.857 4.155 6.339) 7.627 8.208 ( 1.167 -2.642 6.583) 7.188 8.378 ( -3.049 3.827 0.156) 4.896 8.432 ( -4.152 3.854 0.312) 5.674 8.453 ( -2.497 -0.891 -8.643) 9.041 8.566 ( -2.499 -5.151 -6.742) 8.845 8.717 ( 0.545 1.924 -0.197) 2.010 8.773 ( -0.384 -3.075 -1.310) 3.364 8.938 ( 0.710 5.949 -1.224) 6.115 9.025 ( 0.378 -2.334 -1.471) 2.784 9.174 ( 3.466 4.123 0.725) 5.435 9.236 ( 1.024 -1.970 -0.247) 2.234 9.680 ( 3.130 6.083 0.837) 6.892 9.743 ( 3.819 0.100 1.758) 4.206 12.563 ( -0.090 7.507 0.141) 7.509 12.722 ( -0.055 -8.531 -0.011) 8.531 12.813 ( -1.070 9.225 0.657) 9.310 12.997 ( 1.764 -9.276 1.176) 9.516 13.674 ( -4.652 2.108 -3.533) 6.211 13.728 ( -5.186 -3.127 -3.953) 7.231 13.929 ( -1.999 3.982 7.087) 8.371 13.992 ( -3.771 -1.300 5.857) 7.086 14.190 ( 2.952 3.937 -6.230) 7.939 14.309 ( 1.386 -9.008 -9.665) 13.284 15.714 ( 12.627 19.146 2.085) 23.029 15.866 ( 12.422 7.891 -3.654) 15.163 15.917 ( -3.019 2.404 0.712) 3.924 15.947 ( -1.607 1.497 2.342) 3.211 16.006 ( 2.036 -3.929 2.291) 4.983 16.055 ( 4.269 -4.100 -1.333) 6.067 16.219 ( -4.123 3.477 3.926) 6.671 16.274 ( -0.500 3.949 13.096) 13.688 16.306 ( -1.830 -3.513 1.106) 4.112 16.406 ( 2.687 -5.367 7.176) 9.355 17.296 ( -14.344 -3.071 -12.605) 19.341 17.420 ( -12.066 -14.873 -11.520) 22.349 17.929 ( -0.539 2.896 -2.371) 3.781 17.954 ( 0.584 2.246 -0.548) 2.384 18.008 ( -0.855 -3.343 0.672) 3.515 18.028 ( -1.363 -6.646 -2.241) 7.145 18.729 ( 6.631 4.656 4.869) 9.453 18.799 ( 3.915 -2.373 3.790) 5.943 ======================= Grid point 31 (20/80) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.000 -6.654 -0.000) 6.654 1.643 ( 0.000 -11.188 -0.000) 11.188 1.990 ( -0.000 2.626 0.000) 2.626 2.022 ( 0.000 0.963 -0.000) 0.963 2.111 ( 0.000 0.309 0.000) 0.309 2.164 ( 0.000 -2.879 -0.000) 2.879 2.546 ( 0.000 2.755 0.000) 2.755 2.597 ( -0.000 1.679 -0.000) 1.679 2.731 ( -0.000 -0.290 0.000) 0.290 2.746 ( -0.000 0.234 0.000) 0.234 2.891 ( 0.000 3.585 -0.000) 3.585 2.959 ( -0.000 -2.337 0.000) 2.337 3.145 ( -0.000 15.187 0.000) 15.187 3.213 ( 0.000 10.915 -0.000) 10.915 3.345 ( -0.000 3.026 0.000) 3.026 3.359 ( -0.000 1.233 -0.000) 1.233 3.413 ( 0.000 -6.496 -0.000) 6.496 3.440 ( 0.000 -5.834 0.000) 5.834 3.664 ( 0.000 8.556 -0.000) 8.556 3.783 ( -0.000 6.471 -0.000) 6.471 3.844 ( 0.597 1.500 -9.047) 9.189 3.844 ( -0.597 1.597 9.046) 9.206 3.891 ( 0.000 -3.238 -0.000) 3.238 3.987 ( -0.000 0.554 0.000) 0.554 4.167 ( 0.000 1.391 -0.000) 1.391 4.243 ( -0.000 5.553 -0.000) 5.553 4.321 ( -1.090 -2.828 -5.795) 6.540 4.321 ( 1.090 -2.287 5.795) 6.325 4.604 ( -0.000 4.732 -0.000) 4.732 4.651 ( 0.000 0.315 0.000) 0.315 4.799 ( -0.000 -2.627 -0.000) 2.627 4.836 ( -0.000 -4.898 0.000) 4.898 4.847 ( 0.000 4.027 -0.000) 4.027 4.930 ( -0.000 -0.662 0.000) 0.662 4.988 ( -0.000 0.143 0.000) 0.143 5.010 ( 0.000 -1.422 -0.000) 1.422 5.023 ( 0.000 -0.436 -0.000) 0.436 5.041 ( -0.000 3.606 0.000) 3.606 5.177 ( -0.000 8.654 0.000) 8.654 5.248 ( 0.000 3.876 -0.000) 3.876 5.304 ( -0.000 -0.866 -0.000) 0.866 5.361 ( 0.000 -5.230 0.000) 5.230 5.408 ( -0.000 0.613 0.000) 0.613 5.475 ( 0.000 -8.425 -0.000) 8.425 5.635 ( 0.000 -1.440 -0.000) 1.440 5.639 ( -0.000 4.868 0.000) 4.868 5.774 ( 0.000 1.889 0.000) 1.889 5.825 ( -0.000 -0.239 0.000) 0.239 5.869 ( 0.000 -5.011 0.000) 5.011 5.963 ( 0.000 -11.066 -0.000) 11.066 6.255 ( -0.000 1.690 0.000) 1.690 6.268 ( 0.000 1.858 -0.000) 1.858 6.473 ( 0.000 0.348 -0.000) 0.348 6.550 ( -0.000 -7.194 0.000) 7.194 6.719 ( 0.000 2.328 -0.000) 2.328 6.791 ( -0.000 -4.706 0.000) 4.706 6.836 ( -0.000 -0.693 -0.000) 0.693 6.850 ( 0.000 -2.324 0.000) 2.324 7.078 ( 0.000 4.127 0.000) 4.127 7.113 ( -0.000 1.607 0.000) 1.607 7.405 ( 0.000 -0.728 -0.000) 0.728 7.461 ( 0.000 4.132 -0.000) 4.132 7.466 ( -0.000 -8.459 0.000) 8.459 7.536 ( 0.000 -0.916 -0.000) 0.916 7.742 ( -0.000 4.320 0.000) 4.320 7.880 ( 0.000 -7.439 -0.000) 7.439 8.197 ( -0.000 2.172 -0.000) 2.172 8.213 ( 0.000 0.766 0.000) 0.766 8.344 ( 0.000 5.477 0.000) 5.477 8.380 ( -0.000 -1.987 0.000) 1.987 8.390 ( 0.000 1.023 -0.000) 1.023 8.505 ( 0.000 -5.982 -0.000) 5.982 8.721 ( -0.000 1.836 0.000) 1.836 8.767 ( 0.000 -2.599 -0.000) 2.599 8.946 ( -0.000 5.379 0.000) 5.379 9.031 ( 0.000 -2.744 0.000) 2.744 9.226 ( -0.000 1.974 -0.000) 1.974 9.236 ( 0.000 0.941 0.000) 0.941 9.712 ( 0.000 7.046 0.000) 7.046 9.787 ( 0.000 -0.276 -0.000) 0.276 12.563 ( 0.000 7.490 0.000) 7.490 12.721 ( 0.000 -8.459 0.000) 8.459 12.807 ( 0.000 10.907 0.000) 10.907 13.023 ( -0.000 -10.615 -0.000) 10.615 13.617 ( 0.000 0.524 -0.000) 0.524 13.648 ( -0.000 -2.532 0.000) 2.532 13.965 ( 0.000 0.818 0.000) 0.818 13.973 ( -0.000 -0.301 0.000) 0.301 14.191 ( 0.000 2.407 0.000) 2.407 14.263 ( -0.000 -4.890 -0.000) 4.890 15.789 ( 0.000 13.679 -0.000) 13.679 15.843 ( 0.000 6.039 0.000) 6.039 15.918 ( -0.000 -0.071 0.000) 0.071 15.926 ( 0.000 -2.092 -0.000) 2.092 16.087 ( 0.000 7.673 0.000) 7.673 16.130 ( -0.000 6.739 0.000) 6.739 16.221 ( 0.000 0.783 0.000) 0.783 16.282 ( 0.000 -0.184 0.000) 0.184 16.530 ( 0.000 0.332 0.000) 0.332 16.543 ( -0.000 -1.090 -0.000) 1.090 16.963 ( 0.000 -6.784 -0.000) 6.784 17.172 ( -0.000 -22.766 0.000) 22.766 17.908 ( 0.000 3.092 -0.000) 3.092 17.967 ( 0.000 1.358 0.000) 1.358 18.000 ( 0.000 -3.678 0.000) 3.678 18.004 ( -0.000 -4.801 0.000) 4.801 18.832 ( 0.000 1.772 0.000) 1.772 18.844 ( -0.000 0.617 -0.000) 0.617 ======================= Grid point 63 (21/80) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 15.110 0.000 33.605) 36.846 0.702 ( -12.435 0.000 36.523) 38.582 0.935 ( -1.848 0.000 47.515) 47.551 1.765 ( -4.566 0.000 5.280) 6.981 1.933 ( -7.311 0.000 -2.329) 7.673 2.060 ( -0.339 0.000 2.055) 2.083 2.192 ( 1.934 0.000 6.437) 6.721 2.310 ( -2.164 0.000 5.900) 6.284 2.411 ( -0.853 0.000 -5.635) 5.699 2.454 ( 8.101 0.000 -14.417) 16.537 2.669 ( -9.330 0.000 -6.901) 11.604 2.734 ( 2.047 0.000 -7.077) 7.368 2.875 ( -4.612 0.000 -9.154) 10.250 2.901 ( 6.051 0.000 6.697) 9.026 2.950 ( 5.937 0.000 -1.973) 6.256 3.174 ( -0.470 0.000 -3.986) 4.014 3.370 ( -2.245 0.000 0.108) 2.248 3.397 ( 5.708 0.000 -14.858) 15.917 3.426 ( 0.954 0.000 4.293) 4.398 3.594 ( -0.163 0.000 1.492) 1.501 3.703 ( 1.938 0.000 2.747) 3.362 3.795 ( -5.381 0.000 -2.125) 5.785 3.827 ( -0.601 0.000 -2.693) 2.759 4.096 ( 8.305 0.000 -3.443) 8.991 4.144 ( -2.979 0.000 -12.961) 13.299 4.232 ( 3.954 0.000 2.374) 4.612 4.244 ( 0.455 0.000 -2.150) 2.198 4.396 ( 2.938 0.000 4.735) 5.573 4.501 ( 0.657 0.000 1.314) 1.469 4.574 ( 5.307 0.000 1.145) 5.430 4.580 ( 2.103 0.000 1.853) 2.803 4.620 ( -6.629 0.000 5.665) 8.720 4.812 ( -9.068 0.000 -8.272) 12.274 4.839 ( -4.911 0.000 -1.138) 5.041 4.881 ( -1.839 0.000 -2.468) 3.077 4.980 ( -6.324 0.000 -4.307) 7.651 5.107 ( 0.556 0.000 -0.543) 0.777 5.136 ( -5.162 0.000 0.337) 5.173 5.208 ( 9.451 0.000 1.705) 9.604 5.252 ( 0.844 0.000 3.658) 3.754 5.381 ( 0.079 0.000 -0.051) 0.094 5.517 ( 5.381 0.000 1.909) 5.709 5.678 ( 3.933 0.000 6.581) 7.667 5.740 ( -4.193 0.000 -7.629) 8.705 5.799 ( 6.026 0.000 7.542) 9.654 5.834 ( -1.548 0.000 1.042) 1.866 5.941 ( -7.559 0.000 2.402) 7.931 5.955 ( -1.653 0.000 2.194) 2.747 6.011 ( 13.023 0.000 5.660) 14.199 6.093 ( -2.214 0.000 -2.963) 3.699 6.472 ( -1.815 0.000 3.468) 3.914 6.549 ( -3.513 0.000 0.817) 3.606 6.691 ( -3.913 0.000 1.375) 4.147 6.756 ( -0.178 0.000 2.333) 2.340 6.999 ( 4.470 0.000 -1.477) 4.708 7.084 ( 1.720 0.000 -4.970) 5.259 7.187 ( 3.357 0.000 -1.292) 3.597 7.219 ( 7.111 0.000 -1.952) 7.374 7.302 ( -3.128 0.000 5.249) 6.110 7.386 ( 0.612 0.000 -0.036) 0.613 7.392 ( -0.765 0.000 1.012) 1.269 7.466 ( -7.186 0.000 -3.188) 7.862 7.482 ( 5.751 0.000 -5.223) 7.769 7.498 ( 8.437 0.000 1.672) 8.601 7.670 ( -1.671 0.000 -2.145) 2.719 7.838 ( -4.978 0.000 1.652) 5.245 7.959 ( -0.505 0.000 -4.006) 4.038 8.011 ( 1.383 0.000 1.860) 2.318 8.199 ( 2.391 0.000 0.281) 2.407 8.422 ( 1.195 0.000 -3.325) 3.533 8.582 ( 0.027 0.000 1.667) 1.667 8.636 ( -1.144 0.000 -2.221) 2.498 8.690 ( -1.656 0.000 -1.007) 1.938 8.737 ( -0.936 0.000 -0.878) 1.283 8.752 ( -1.624 0.000 5.038) 5.293 8.872 ( 4.536 0.000 6.670) 8.066 9.098 ( -2.799 0.000 -0.017) 2.799 9.234 ( 1.486 0.000 2.788) 3.160 9.409 ( -6.927 0.000 -2.241) 7.280 9.485 ( -1.646 0.000 -4.628) 4.912 12.046 ( -0.073 0.000 0.079) 0.108 12.051 ( 0.101 0.000 -0.061) 0.118 13.129 ( 9.934 0.000 2.002) 10.133 13.446 ( -2.880 0.000 -7.834) 8.347 13.488 ( 2.185 0.000 5.138) 5.584 13.758 ( -0.788 0.000 2.523) 2.643 13.790 ( -1.159 0.000 0.811) 1.415 13.950 ( 1.123 0.000 -2.607) 2.839 13.988 ( -2.531 0.000 -4.925) 5.538 14.094 ( 0.940 0.000 -3.726) 3.843 14.504 ( 1.633 0.000 18.715) 18.787 15.873 ( 5.656 0.000 -9.790) 11.306 15.884 ( 2.269 0.000 3.767) 4.397 15.949 ( 2.924 0.000 3.424) 4.502 15.962 ( -1.232 0.000 1.523) 1.959 16.044 ( 0.400 0.000 -6.418) 6.430 16.211 ( -17.241 0.000 -1.248) 17.287 16.219 ( 1.416 0.000 -2.051) 2.493 16.277 ( 1.796 0.000 -1.955) 2.655 16.408 ( -15.655 0.000 -11.171) 19.232 17.426 ( 0.982 0.000 16.024) 16.054 17.803 ( -0.904 0.000 -2.763) 2.907 17.886 ( 8.009 0.000 7.580) 11.027 18.235 ( -0.176 0.000 2.770) 2.776 18.454 ( -0.411 0.000 -2.224) 2.262 18.698 ( -2.354 0.000 -8.290) 8.618 18.856 ( 7.900 0.000 2.569) 8.307 19.020 ( -0.921 0.000 -1.487) 1.749 ======================= Grid point 64 (22/80) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 2.068 0.000 29.923) 29.995 1.051 ( 0.833 0.000 34.862) 34.871 1.650 ( 19.513 0.000 23.191) 30.308 1.752 ( -3.749 0.000 -13.695) 14.199 1.757 ( -1.420 0.000 3.342) 3.631 2.063 ( -12.075 0.000 -5.853) 13.419 2.177 ( 6.761 0.000 13.274) 14.897 2.290 ( -0.863 0.000 -0.378) 0.942 2.436 ( -7.453 0.000 -2.462) 7.849 2.480 ( 9.549 0.000 -11.815) 15.192 2.574 ( 13.290 0.000 7.792) 15.405 2.722 ( 3.579 0.000 -12.254) 12.766 2.739 ( -0.217 0.000 -2.756) 2.765 3.015 ( 3.096 0.000 -4.103) 5.140 3.053 ( -5.646 0.000 1.121) 5.756 3.073 ( 1.436 0.000 0.244) 1.456 3.234 ( -5.974 0.000 -5.043) 7.817 3.353 ( 6.422 0.000 -15.664) 16.930 3.516 ( -8.324 0.000 1.635) 8.483 3.592 ( 3.266 0.000 1.862) 3.760 3.661 ( -1.042 0.000 3.938) 4.073 3.741 ( -2.466 0.000 -5.955) 6.445 3.779 ( 2.449 0.000 4.705) 5.305 4.012 ( 0.550 0.000 -9.659) 9.675 4.169 ( -4.817 0.000 -5.043) 6.974 4.185 ( 1.057 0.000 -1.266) 1.649 4.363 ( 6.693 0.000 2.872) 7.283 4.430 ( -4.170 0.000 -8.889) 9.819 4.483 ( -3.098 0.000 -3.472) 4.653 4.516 ( -7.555 0.000 -0.826) 7.600 4.595 ( 4.080 0.000 11.340) 12.052 4.631 ( -3.979 0.000 5.006) 6.395 4.747 ( 5.661 0.000 1.685) 5.906 4.754 ( -4.479 0.000 -0.856) 4.560 4.851 ( 2.996 0.000 -5.385) 6.162 4.888 ( 0.985 0.000 1.652) 1.924 5.098 ( -1.444 0.000 -0.222) 1.461 5.123 ( 0.232 0.000 3.430) 3.437 5.196 ( -6.907 0.000 -0.169) 6.909 5.309 ( -0.564 0.000 -1.098) 1.234 5.448 ( 5.988 0.000 1.887) 6.279 5.450 ( -6.032 0.000 -3.919) 7.193 5.659 ( -6.140 0.000 3.023) 6.844 5.758 ( -11.222 0.000 3.348) 11.711 5.796 ( -2.657 0.000 4.227) 4.993 5.896 ( 6.495 0.000 0.083) 6.495 5.903 ( -0.001 0.000 -4.060) 4.060 5.939 ( -1.231 0.000 6.021) 6.146 6.036 ( 1.975 0.000 0.630) 2.073 6.255 ( 10.748 0.000 -2.240) 10.979 6.464 ( -4.714 0.000 8.932) 10.099 6.503 ( -5.525 0.000 5.148) 7.552 6.685 ( -4.012 0.000 -5.163) 6.539 6.746 ( 4.773 0.000 2.297) 5.297 6.835 ( -14.025 0.000 3.606) 14.481 7.127 ( 5.877 0.000 -6.134) 8.495 7.172 ( -1.108 0.000 3.452) 3.625 7.190 ( -1.615 0.000 -2.932) 3.348 7.303 ( -3.611 0.000 -5.811) 6.842 7.369 ( 4.053 0.000 5.387) 6.741 7.416 ( 3.532 0.000 -5.610) 6.629 7.455 ( 2.293 0.000 2.175) 3.160 7.554 ( 5.212 0.000 -4.214) 6.702 7.563 ( -2.956 0.000 3.940) 4.926 7.652 ( 2.274 0.000 -0.968) 2.471 7.870 ( 3.529 0.000 -4.907) 6.045 7.949 ( 3.723 0.000 -0.471) 3.753 8.085 ( 4.128 0.000 2.280) 4.716 8.277 ( 4.823 0.000 -0.074) 4.824 8.359 ( -2.486 0.000 -6.689) 7.136 8.587 ( -0.593 0.000 1.657) 1.760 8.629 ( 2.315 0.000 -1.274) 2.642 8.682 ( 0.825 0.000 3.320) 3.421 8.699 ( -2.301 0.000 -1.673) 2.845 8.736 ( -5.231 0.000 4.365) 6.813 8.980 ( -1.387 0.000 -2.504) 2.862 9.034 ( -3.537 0.000 11.696) 12.219 9.213 ( -8.400 0.000 4.819) 9.684 9.276 ( -0.432 0.000 2.279) 2.320 9.345 ( -6.645 0.000 -7.032) 9.675 12.048 ( 0.197 0.000 0.052) 0.204 12.056 ( 0.362 0.000 -0.050) 0.365 13.328 ( -0.993 0.000 -7.140) 7.209 13.342 ( 6.096 0.000 -2.871) 6.738 13.729 ( 14.117 0.000 3.991) 14.671 13.764 ( -0.914 0.000 1.372) 1.648 13.780 ( -0.205 0.000 0.035) 0.208 13.946 ( 1.230 0.000 -2.488) 2.775 13.954 ( 4.136 0.000 -5.723) 7.061 14.136 ( 9.331 0.000 -3.933) 10.126 14.650 ( -7.100 0.000 21.103) 22.266 15.655 ( -13.125 0.000 -29.017) 31.847 15.941 ( -2.309 0.000 3.531) 4.219 15.966 ( -2.427 0.000 3.845) 4.547 16.014 ( 5.492 0.000 4.540) 7.125 16.077 ( 4.023 0.000 2.625) 4.804 16.127 ( 0.761 0.000 -3.565) 3.645 16.149 ( -0.077 0.000 -1.908) 1.910 16.274 ( 6.200 0.000 1.763) 6.445 16.341 ( 6.233 0.000 1.305) 6.369 17.613 ( 5.425 0.000 8.515) 10.096 17.779 ( 1.685 0.000 -2.947) 3.395 18.146 ( 6.250 0.000 13.527) 14.901 18.198 ( -5.856 0.000 -0.021) 5.856 18.384 ( -2.867 0.000 -3.379) 4.431 18.554 ( -1.591 0.000 -10.463) 10.583 18.872 ( -5.753 0.000 2.752) 6.378 18.917 ( -6.722 0.000 -3.051) 7.382 ======================= Grid point 65 (23/80) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 1.923 0.000 19.795) 19.888 1.412 ( 2.538 0.000 29.294) 29.404 1.544 ( 5.590 0.000 -17.739) 18.599 1.793 ( 1.222 0.000 4.130) 4.307 1.801 ( -11.124 0.000 6.356) 12.812 1.905 ( -4.782 0.000 5.769) 7.493 2.234 ( 2.313 0.000 -3.212) 3.958 2.259 ( -8.527 0.000 0.582) 8.547 2.525 ( 14.232 0.000 -10.798) 17.865 2.656 ( 8.037 0.000 -3.091) 8.611 2.691 ( 4.432 0.000 -5.439) 7.016 2.815 ( 3.308 0.000 9.405) 9.970 2.833 ( -11.976 0.000 -0.018) 11.976 2.946 ( -0.375 0.000 -3.375) 3.396 2.967 ( 12.980 0.000 9.586) 16.136 3.098 ( 1.924 0.000 -4.820) 5.190 3.168 ( 2.713 0.000 -1.183) 2.959 3.285 ( -5.802 0.000 -1.748) 6.060 3.438 ( -7.599 0.000 -5.817) 9.570 3.442 ( 6.927 0.000 -8.936) 11.306 3.677 ( -1.145 0.000 -3.899) 4.064 3.802 ( -7.806 0.000 -9.126) 12.009 3.874 ( 5.462 0.000 2.515) 6.013 3.944 ( 10.027 0.000 12.176) 15.773 4.121 ( -4.897 0.000 -0.339) 4.909 4.126 ( 4.003 0.000 -1.217) 4.184 4.274 ( -11.092 0.000 -8.767) 14.138 4.354 ( 2.035 0.000 -8.504) 8.744 4.430 ( 1.006 0.000 0.027) 1.006 4.508 ( 0.433 0.000 -0.785) 0.896 4.612 ( 0.779 0.000 0.970) 1.244 4.632 ( -7.205 0.000 5.287) 8.937 4.719 ( -6.734 0.000 6.741) 9.528 4.831 ( 1.373 0.000 4.803) 4.995 4.919 ( 1.147 0.000 1.734) 2.079 4.937 ( 6.686 0.000 -1.846) 6.936 5.069 ( -2.684 0.000 -0.796) 2.800 5.121 ( 0.330 0.000 -0.875) 0.936 5.144 ( 6.947 0.000 1.069) 7.028 5.259 ( -2.127 0.000 5.890) 6.262 5.387 ( -2.173 0.000 -4.544) 5.037 5.531 ( -7.023 0.000 0.943) 7.086 5.581 ( -10.143 0.000 5.140) 11.371 5.593 ( -3.325 0.000 2.606) 4.224 5.624 ( -3.632 0.000 -1.372) 3.882 5.843 ( 1.713 0.000 -8.581) 8.751 5.967 ( -1.081 0.000 1.093) 1.537 6.048 ( 0.794 0.000 -2.787) 2.898 6.051 ( -0.501 0.000 6.779) 6.797 6.379 ( 6.967 0.000 -6.237) 9.351 6.393 ( -9.536 0.000 4.400) 10.502 6.562 ( -1.290 0.000 -7.985) 8.088 6.588 ( -1.538 0.000 7.537) 7.692 6.631 ( 3.403 0.000 -3.877) 5.159 6.831 ( -3.147 0.000 9.200) 9.724 7.133 ( -0.455 0.000 0.733) 0.862 7.153 ( -0.469 0.000 -0.387) 0.609 7.229 ( 1.366 0.000 0.586) 1.487 7.232 ( 0.285 0.000 -1.783) 1.806 7.400 ( -1.185 0.000 -1.488) 1.903 7.471 ( -1.111 0.000 3.994) 4.146 7.517 ( 5.393 0.000 -2.211) 5.829 7.577 ( 1.615 0.000 1.455) 2.174 7.589 ( 4.661 0.000 -3.607) 5.894 7.731 ( 3.154 0.000 2.747) 4.183 7.858 ( 0.685 0.000 -2.374) 2.471 8.068 ( 6.889 0.000 0.651) 6.920 8.210 ( 7.804 0.000 -0.733) 7.838 8.242 ( -1.297 0.000 -5.138) 5.299 8.350 ( 5.287 0.000 -4.254) 6.786 8.562 ( -6.084 0.000 1.685) 6.313 8.590 ( -6.459 0.000 -3.669) 7.429 8.662 ( -3.648 0.000 1.683) 4.018 8.690 ( 3.781 0.000 0.489) 3.813 8.785 ( 5.120 0.000 4.849) 7.052 8.856 ( -6.414 0.000 -2.048) 6.733 9.106 ( -2.552 0.000 8.330) 8.712 9.115 ( -7.880 0.000 -7.381) 10.797 9.167 ( -3.418 0.000 4.044) 5.295 9.263 ( -1.632 0.000 0.278) 1.656 12.053 ( 0.263 0.000 0.071) 0.272 12.062 ( 0.293 0.000 -0.089) 0.307 13.289 ( 1.551 0.000 -1.156) 1.935 13.396 ( 1.668 0.000 0.918) 1.903 13.756 ( -0.362 0.000 0.002) 0.362 13.782 ( 0.235 0.000 0.056) 0.242 13.910 ( 3.397 0.000 -0.090) 3.399 13.949 ( 1.444 0.000 -1.839) 2.338 13.999 ( 6.051 0.000 -6.218) 8.676 14.448 ( 23.739 0.000 2.064) 23.829 14.660 ( -12.556 0.000 19.162) 22.909 15.057 ( -18.526 0.000 -25.443) 31.473 15.946 ( -0.993 0.000 2.749) 2.923 15.971 ( -1.372 0.000 3.817) 4.056 16.105 ( 1.907 0.000 0.006) 1.907 16.115 ( 0.660 0.000 -1.696) 1.820 16.134 ( 2.895 0.000 -2.451) 3.793 16.175 ( 3.199 0.000 -1.656) 3.603 16.455 ( 5.828 0.000 3.820) 6.968 16.499 ( 4.912 0.000 3.561) 6.067 17.796 ( 7.270 0.000 4.250) 8.421 17.818 ( 4.619 0.000 -1.022) 4.730 18.035 ( -6.683 0.000 -4.447) 8.028 18.162 ( -10.042 0.000 1.043) 10.096 18.472 ( 7.525 0.000 7.522) 10.640 18.484 ( 2.749 0.000 -5.372) 6.035 18.743 ( -9.739 0.000 1.259) 9.820 18.764 ( -5.459 0.000 -1.497) 5.660 ======================= Grid point 66 (24/80) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -13.434 0.000 12.696) 18.484 1.432 ( -24.620 0.000 14.198) 28.420 1.759 ( 19.879 0.000 4.522) 20.387 1.833 ( 4.799 0.000 18.492) 19.105 1.895 ( 1.009 0.000 7.298) 7.367 1.914 ( -0.118 0.000 9.878) 9.879 2.206 ( 1.069 0.000 4.592) 4.715 2.257 ( 3.020 0.000 -6.440) 7.113 2.543 ( -11.589 0.000 -14.298) 18.404 2.596 ( -2.619 0.000 -11.359) 11.657 2.705 ( -3.415 0.000 4.081) 5.321 2.714 ( 3.959 0.000 -4.731) 6.169 2.782 ( 4.368 0.000 -1.298) 4.557 2.926 ( -4.660 0.000 -9.577) 10.650 3.012 ( -0.382 0.000 -1.482) 1.530 3.079 ( -4.412 0.000 -2.670) 5.157 3.148 ( 2.403 0.000 -3.628) 4.351 3.308 ( -1.317 0.000 1.063) 1.693 3.469 ( 7.046 0.000 7.124) 10.020 3.485 ( 7.181 0.000 -13.123) 14.959 3.641 ( 4.700 0.000 2.056) 5.130 3.811 ( 10.217 0.000 4.073) 10.999 3.908 ( -13.877 0.000 -8.312) 16.176 3.969 ( -2.299 0.000 0.552) 2.365 4.010 ( -1.076 0.000 -0.245) 1.103 4.196 ( 4.019 0.000 -1.212) 4.198 4.309 ( 12.691 0.000 6.662) 14.333 4.328 ( 2.554 0.000 -5.643) 6.194 4.418 ( -0.244 0.000 -5.870) 5.875 4.463 ( -1.336 0.000 -3.281) 3.542 4.507 ( -4.890 0.000 0.440) 4.910 4.580 ( -3.033 0.000 3.964) 4.991 4.736 ( -0.846 0.000 7.800) 7.846 4.895 ( -0.815 0.000 4.900) 4.967 4.998 ( -1.447 0.000 0.721) 1.617 5.016 ( 0.438 0.000 0.733) 0.854 5.032 ( 2.166 0.000 6.363) 6.721 5.175 ( -1.505 0.000 -1.537) 2.151 5.289 ( 0.407 0.000 1.706) 1.754 5.314 ( 6.138 0.000 6.147) 8.687 5.317 ( -8.046 0.000 -2.105) 8.316 5.353 ( 4.905 0.000 -1.051) 5.016 5.461 ( -3.270 0.000 -0.552) 3.316 5.506 ( -1.836 0.000 6.132) 6.401 5.684 ( -0.964 0.000 0.742) 1.217 5.802 ( 2.366 0.000 -9.066) 9.370 5.956 ( 0.100 0.000 1.099) 1.103 5.966 ( -2.737 0.000 -3.506) 4.448 6.083 ( -0.724 0.000 0.179) 0.746 6.260 ( -9.519 0.000 -14.127) 17.035 6.300 ( -3.014 0.000 2.618) 3.992 6.414 ( 3.899 0.000 -7.599) 8.541 6.703 ( 4.529 0.000 1.508) 4.773 6.720 ( -4.025 0.000 1.596) 4.330 6.929 ( 6.257 0.000 12.829) 14.273 7.135 ( -0.641 0.000 1.708) 1.824 7.141 ( -1.608 0.000 0.616) 1.722 7.212 ( -1.940 0.000 -1.996) 2.783 7.266 ( 3.322 0.000 -1.008) 3.472 7.369 ( -3.249 0.000 5.248) 6.172 7.416 ( -1.412 0.000 -6.473) 6.625 7.570 ( -1.501 0.000 2.132) 2.608 7.625 ( 1.581 0.000 0.933) 1.835 7.668 ( 3.023 0.000 2.416) 3.870 7.757 ( -1.586 0.000 0.410) 1.639 7.879 ( 2.898 0.000 0.928) 3.043 8.156 ( 1.649 0.000 -0.929) 1.893 8.267 ( 6.126 0.000 1.522) 6.312 8.340 ( 2.605 0.000 -6.158) 6.686 8.359 ( -3.998 0.000 -6.676) 7.781 8.418 ( -2.201 0.000 -3.151) 3.844 8.451 ( 1.222 0.000 -1.029) 1.597 8.640 ( -1.029 0.000 0.205) 1.049 8.736 ( -2.449 0.000 -1.876) 3.085 8.760 ( 2.231 0.000 0.460) 2.278 8.834 ( -8.001 0.000 1.274) 8.102 8.997 ( 4.654 0.000 -1.318) 4.837 9.079 ( -5.534 0.000 2.762) 6.185 9.195 ( 2.333 0.000 4.406) 4.986 9.245 ( -0.318 0.000 -0.127) 0.343 12.057 ( -0.036 0.000 0.084) 0.091 12.064 ( 0.042 0.000 -0.101) 0.109 13.365 ( 3.574 0.000 5.858) 6.862 13.433 ( 0.321 0.000 2.657) 2.676 13.752 ( -0.491 0.000 0.895) 1.021 13.791 ( 0.633 0.000 0.343) 0.720 13.927 ( 0.311 0.000 -1.834) 1.860 13.956 ( 0.715 0.000 -1.464) 1.630 14.043 ( 6.127 0.000 -8.239) 10.267 14.485 ( -14.191 0.000 -20.831) 25.205 14.563 ( -15.532 0.000 14.971) 21.572 15.007 ( 28.151 0.000 3.105) 28.322 15.953 ( -1.050 0.000 2.541) 2.749 15.986 ( -0.936 0.000 3.554) 3.675 16.085 ( -1.290 0.000 -3.353) 3.593 16.111 ( 0.016 0.000 -2.062) 2.063 16.182 ( 3.231 0.000 1.177) 3.438 16.233 ( 2.996 0.000 2.100) 3.659 16.456 ( -5.092 0.000 -3.360) 6.100 16.517 ( -4.090 0.000 -1.852) 4.490 17.896 ( 1.147 0.000 0.234) 1.171 17.921 ( -6.500 0.000 0.606) 6.528 17.964 ( 3.537 0.000 0.279) 3.548 17.975 ( -0.433 0.000 -0.822) 0.929 18.536 ( -9.647 0.000 -0.974) 9.696 18.547 ( 7.245 0.000 -1.128) 7.332 18.667 ( 3.908 0.000 5.785) 6.981 18.728 ( 1.054 0.000 2.769) 2.963 ======================= Grid point 67 (25/80) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -25.262 0.000 14.647) 29.201 1.072 ( -28.606 0.000 18.613) 34.129 1.704 ( -39.483 0.000 -15.754) 42.510 1.893 ( -7.293 0.000 9.177) 11.722 1.977 ( 0.715 0.000 9.271) 9.298 2.117 ( 1.395 0.000 11.360) 11.446 2.189 ( 1.651 0.000 8.364) 8.525 2.310 ( -2.006 0.000 -4.968) 5.358 2.395 ( 12.048 0.000 5.427) 13.213 2.444 ( 1.903 0.000 -12.415) 12.560 2.580 ( -3.659 0.000 -5.534) 6.634 2.756 ( 4.498 0.000 -4.329) 6.243 2.833 ( 3.983 0.000 -3.612) 5.377 3.000 ( 10.746 0.000 4.001) 11.467 3.037 ( 2.688 0.000 0.648) 2.765 3.104 ( 5.180 0.000 -1.158) 5.307 3.194 ( 5.246 0.000 -0.303) 5.255 3.204 ( -3.872 0.000 -2.381) 4.546 3.486 ( 7.551 0.000 -14.492) 16.342 3.599 ( -6.155 0.000 -3.954) 7.315 3.648 ( 1.084 0.000 5.957) 6.055 3.714 ( 2.768 0.000 0.073) 2.769 3.832 ( -8.532 0.000 -0.321) 8.538 4.033 ( 4.129 0.000 -7.954) 8.962 4.129 ( 8.999 0.000 4.521) 10.071 4.259 ( 1.557 0.000 2.668) 3.089 4.322 ( 6.512 0.000 -3.947) 7.615 4.365 ( 2.623 0.000 -5.381) 5.986 4.397 ( 1.108 0.000 -2.914) 3.118 4.423 ( -2.139 0.000 -3.451) 4.060 4.630 ( 9.774 0.000 6.122) 11.533 4.669 ( 2.610 0.000 4.252) 4.989 4.718 ( -6.510 0.000 7.330) 9.803 4.891 ( -2.035 0.000 -0.738) 2.165 4.952 ( -4.653 0.000 0.527) 4.682 4.961 ( -5.828 0.000 3.922) 7.025 5.080 ( -5.303 0.000 1.114) 5.419 5.154 ( -1.679 0.000 1.773) 2.442 5.167 ( 2.775 0.000 4.144) 4.987 5.278 ( -0.889 0.000 0.474) 1.008 5.477 ( 2.141 0.000 -1.310) 2.510 5.478 ( 4.066 0.000 -1.485) 4.329 5.525 ( 6.023 0.000 8.387) 10.325 5.615 ( -2.791 0.000 -4.848) 5.594 5.690 ( 14.741 0.000 5.569) 15.758 5.706 ( -2.485 0.000 -9.161) 9.492 5.907 ( -1.458 0.000 0.880) 1.703 5.920 ( -5.894 0.000 -11.502) 12.924 6.014 ( -2.795 0.000 2.761) 3.929 6.086 ( 1.337 0.000 -0.197) 1.351 6.353 ( -3.277 0.000 -6.171) 6.988 6.363 ( 6.233 0.000 3.527) 7.162 6.630 ( -4.502 0.000 0.430) 4.522 6.780 ( 0.788 0.000 1.053) 1.315 7.070 ( -8.238 0.000 3.641) 9.006 7.121 ( 1.387 0.000 -7.239) 7.371 7.146 ( 7.378 0.000 -1.187) 7.473 7.174 ( -2.073 0.000 6.081) 6.424 7.289 ( -0.055 0.000 1.813) 1.814 7.316 ( -3.336 0.000 -4.971) 5.986 7.405 ( 0.443 0.000 5.011) 5.030 7.498 ( -4.612 0.000 -1.731) 4.926 7.647 ( -1.205 0.000 3.072) 3.300 7.706 ( -1.900 0.000 0.207) 1.912 7.738 ( -1.994 0.000 3.353) 3.902 7.980 ( 3.740 0.000 4.324) 5.717 8.129 ( -1.608 0.000 -3.053) 3.450 8.154 ( -9.054 0.000 -3.144) 9.584 8.190 ( -3.397 0.000 -7.326) 8.075 8.376 ( 3.809 0.000 -3.019) 4.860 8.479 ( 2.129 0.000 -4.531) 5.007 8.523 ( 10.382 0.000 -2.501) 10.679 8.614 ( -0.713 0.000 0.170) 0.733 8.727 ( -4.714 0.000 4.398) 6.446 8.737 ( 2.332 0.000 -0.581) 2.404 8.783 ( -1.594 0.000 1.622) 2.275 9.009 ( -1.353 0.000 0.450) 1.425 9.058 ( 0.727 0.000 2.491) 2.595 9.238 ( -0.328 0.000 -0.579) 0.665 9.343 ( 7.846 0.000 2.669) 8.287 12.054 ( -0.313 0.000 0.094) 0.327 12.061 ( -0.246 0.000 -0.114) 0.271 13.457 ( -0.612 0.000 2.658) 2.728 13.500 ( 2.697 0.000 6.513) 7.049 13.754 ( -0.885 0.000 1.869) 2.068 13.810 ( -0.370 0.000 2.411) 2.439 13.846 ( -6.469 0.000 -7.401) 9.830 13.952 ( 1.126 0.000 -2.483) 2.727 14.091 ( 7.785 0.000 -6.094) 9.887 14.143 ( -2.558 0.000 -11.715) 11.991 14.375 ( -16.141 0.000 8.172) 18.091 15.526 ( 24.586 0.000 -3.760) 24.872 15.957 ( -0.987 0.000 2.233) 2.441 15.987 ( -5.011 0.000 -4.109) 6.480 16.007 ( 0.457 0.000 1.749) 1.807 16.060 ( -3.110 0.000 -2.966) 4.298 16.299 ( 4.262 0.000 9.053) 10.006 16.305 ( -4.663 0.000 -3.503) 5.832 16.348 ( 4.320 0.000 9.259) 10.217 16.380 ( -5.118 0.000 -3.898) 6.433 17.664 ( -16.058 0.000 -0.596) 16.069 17.892 ( -2.282 0.000 2.221) 3.185 17.971 ( -2.965 0.000 -4.555) 5.435 18.071 ( 6.098 0.000 -0.449) 6.114 18.411 ( -1.232 0.000 0.148) 1.241 18.707 ( 6.244 0.000 3.403) 7.111 18.751 ( 0.795 0.000 1.136) 1.387 18.822 ( 6.576 0.000 0.777) 6.622 ======================= Grid point 68 (26/80) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -36.428 0.000 -4.921) 36.758 0.766 ( -26.427 0.000 26.875) 37.691 0.893 ( -31.759 0.000 29.199) 43.142 1.824 ( -7.928 0.000 7.358) 10.816 2.041 ( -4.486 0.000 7.897) 9.082 2.120 ( -7.564 0.000 2.842) 8.080 2.146 ( -3.118 0.000 -0.936) 3.255 2.275 ( 0.409 0.000 3.231) 3.257 2.428 ( 7.289 0.000 -11.856) 13.917 2.465 ( -1.489 0.000 0.965) 1.774 2.681 ( 7.880 0.000 1.699) 8.061 2.778 ( 2.083 0.000 -4.577) 5.029 2.887 ( 5.350 0.000 -5.262) 7.504 2.951 ( -7.890 0.000 -6.461) 10.198 3.059 ( -3.393 0.000 -8.089) 8.772 3.147 ( 4.181 0.000 2.549) 4.897 3.313 ( 3.129 0.000 2.370) 3.925 3.368 ( 9.985 0.000 -0.736) 10.012 3.475 ( -5.004 0.000 2.636) 5.656 3.504 ( 9.538 0.000 -10.898) 14.483 3.686 ( -1.858 0.000 -2.861) 3.411 3.789 ( 3.383 0.000 4.382) 5.536 3.791 ( 3.286 0.000 3.477) 4.784 4.032 ( 6.053 0.000 -10.287) 11.936 4.178 ( 2.805 0.000 -1.350) 3.113 4.267 ( -6.090 0.000 -2.579) 6.613 4.320 ( -0.380 0.000 -9.447) 9.455 4.389 ( 4.337 0.000 2.598) 5.055 4.440 ( -0.295 0.000 1.296) 1.329 4.457 ( 6.007 0.000 -1.282) 6.143 4.619 ( -7.069 0.000 -2.647) 7.549 4.652 ( -5.876 0.000 9.732) 11.368 4.847 ( 5.981 0.000 1.734) 6.228 4.867 ( 1.296 0.000 -1.190) 1.760 4.943 ( 3.508 0.000 5.027) 6.130 4.967 ( 2.077 0.000 6.998) 7.300 5.090 ( 0.580 0.000 0.895) 1.067 5.095 ( -3.659 0.000 -0.635) 3.713 5.207 ( -1.227 0.000 -1.123) 1.663 5.300 ( -3.097 0.000 2.471) 3.962 5.428 ( -3.208 0.000 -2.622) 4.143 5.460 ( 0.838 0.000 -8.754) 8.794 5.601 ( -1.654 0.000 0.673) 1.785 5.634 ( 7.480 0.000 -1.337) 7.598 5.682 ( 2.548 0.000 4.800) 5.435 5.790 ( 6.273 0.000 1.793) 6.524 5.890 ( 1.497 0.000 -6.082) 6.263 5.930 ( -0.477 0.000 5.573) 5.593 6.050 ( -4.140 0.000 1.840) 4.530 6.112 ( 1.677 0.000 -1.361) 2.160 6.368 ( 11.111 0.000 21.601) 24.291 6.537 ( 4.812 0.000 4.965) 6.914 6.553 ( -3.586 0.000 -0.268) 3.596 6.743 ( -1.538 0.000 -2.753) 3.154 6.870 ( -13.950 0.000 1.603) 14.042 7.107 ( 2.632 0.000 -3.331) 4.246 7.187 ( -3.900 0.000 -2.392) 4.576 7.187 ( 2.194 0.000 -5.926) 6.320 7.238 ( 1.045 0.000 4.782) 4.895 7.351 ( 2.595 0.000 3.978) 4.750 7.430 ( -1.051 0.000 0.695) 1.260 7.430 ( -0.519 0.000 -1.069) 1.188 7.578 ( -7.060 0.000 -6.618) 9.677 7.624 ( -4.537 0.000 1.081) 4.664 7.723 ( -3.124 0.000 2.121) 3.776 8.004 ( -2.892 0.000 -4.799) 5.603 8.015 ( -2.779 0.000 -1.329) 3.080 8.022 ( -4.987 0.000 -2.575) 5.613 8.166 ( 5.345 0.000 -6.125) 8.129 8.402 ( 3.220 0.000 -3.037) 4.426 8.518 ( 4.481 0.000 2.644) 5.203 8.656 ( 2.053 0.000 7.421) 7.700 8.683 ( 3.302 0.000 0.391) 3.325 8.708 ( -1.712 0.000 2.942) 3.404 8.736 ( 0.100 0.000 0.508) 0.518 8.756 ( -0.024 0.000 0.361) 0.362 9.067 ( 4.376 0.000 1.338) 4.576 9.146 ( 5.611 0.000 12.367) 13.580 9.219 ( -1.094 0.000 -0.021) 1.094 9.479 ( 4.724 0.000 -1.000) 4.828 12.049 ( -0.291 0.000 0.105) 0.309 12.054 ( -0.270 0.000 -0.117) 0.294 13.455 ( -2.112 0.000 -1.230) 2.444 13.529 ( -12.997 0.000 -20.511) 24.282 13.543 ( -0.967 0.000 -1.915) 2.145 13.753 ( -1.102 0.000 1.980) 2.266 13.807 ( -1.908 0.000 1.716) 2.567 13.951 ( 1.457 0.000 -2.699) 3.067 14.102 ( 1.940 0.000 -1.985) 2.776 14.142 ( -10.802 0.000 0.568) 10.817 14.263 ( 7.797 0.000 8.062) 11.215 15.802 ( 12.172 0.000 -8.733) 14.981 15.873 ( -3.098 0.000 -0.448) 3.130 15.958 ( -4.195 0.000 -0.815) 4.273 15.961 ( -0.680 0.000 1.795) 1.920 16.036 ( 3.142 0.000 -2.955) 4.313 16.233 ( -0.619 0.000 -2.369) 2.448 16.292 ( -0.895 0.000 -2.796) 2.935 16.498 ( 4.515 0.000 5.951) 7.470 16.566 ( 5.206 0.000 6.004) 7.946 17.362 ( -14.499 0.000 8.344) 16.728 17.840 ( -4.447 0.000 -3.938) 5.940 17.854 ( -2.506 0.000 -0.437) 2.544 18.173 ( 4.042 0.000 1.418) 4.283 18.442 ( 2.585 0.000 -0.591) 2.652 18.717 ( -2.436 0.000 -0.790) 2.560 18.772 ( -0.019 0.000 -1.450) 1.450 18.970 ( 6.697 0.000 -0.103) 6.698 ======================= Grid point 69 (27/80) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 5.847 17.023 14.121) 22.878 0.859 ( 21.102 16.277 28.172) 38.780 1.456 ( -12.248 32.100 34.466) 48.665 1.855 ( -5.323 7.895 3.863) 10.276 1.997 ( -3.201 4.691 -6.316) 8.494 2.108 ( 0.095 5.626 0.266) 5.633 2.233 ( 1.795 -0.758 1.235) 2.307 2.283 ( 0.860 2.675 -4.287) 5.126 2.429 ( -2.075 7.420 1.347) 7.822 2.638 ( 0.946 10.353 -12.155) 15.994 2.699 ( -5.201 4.099 2.787) 7.185 2.803 ( 2.875 5.961 -5.705) 8.738 2.929 ( -0.424 4.987 -9.962) 11.148 2.947 ( 3.456 4.365 1.513) 5.769 3.007 ( 2.946 5.481 0.473) 6.241 3.195 ( -2.777 1.481 -3.929) 5.034 3.317 ( 4.600 -2.484 -2.178) 5.664 3.409 ( -3.747 2.650 -0.700) 4.643 3.473 ( 0.639 -2.759 -1.661) 3.283 3.586 ( 3.119 4.133 -0.213) 5.183 3.611 ( -3.490 -5.372 -1.596) 6.601 3.805 ( -1.715 0.561 3.261) 3.727 3.934 ( 0.507 5.872 1.265) 6.028 4.037 ( 1.117 -4.521 -4.813) 6.697 4.141 ( 0.244 -0.797 -7.493) 7.539 4.205 ( 6.716 -2.098 -3.424) 7.825 4.246 ( 1.431 -0.312 -0.484) 1.542 4.366 ( -0.232 -2.147 2.529) 3.326 4.514 ( 1.944 -2.850 2.557) 4.294 4.532 ( 0.100 -2.725 2.067) 3.422 4.559 ( 0.820 1.977 -0.425) 2.182 4.695 ( -4.737 5.579 3.038) 7.924 4.790 ( -3.477 -2.155 -3.784) 5.573 4.844 ( 0.915 1.166 -3.348) 3.661 4.879 ( -5.938 0.513 -5.944) 8.417 4.967 ( -3.485 0.365 0.401) 3.527 5.068 ( 0.082 -2.459 1.987) 3.162 5.109 ( -5.111 -2.995 -3.658) 6.962 5.224 ( 2.501 0.723 1.907) 3.227 5.345 ( 1.325 -4.146 0.581) 4.391 5.366 ( 2.022 -0.263 1.873) 2.769 5.506 ( 2.907 1.624 -5.365) 6.315 5.571 ( 6.196 -6.838 9.228) 13.050 5.737 ( 2.681 -5.735 -2.821) 6.931 5.767 ( 1.326 -2.687 1.642) 3.417 5.822 ( -2.168 -1.014 2.959) 3.806 5.831 ( -0.911 -1.522 3.722) 4.123 5.962 ( -3.014 -3.222 -1.322) 4.606 6.046 ( 5.036 2.868 -1.641) 6.023 6.219 ( -4.344 7.753 -1.465) 9.007 6.370 ( -0.129 -2.293 7.046) 7.411 6.630 ( -2.805 0.707 1.879) 3.449 6.703 ( -1.570 -4.384 5.226) 7.000 6.753 ( -1.302 -0.108 4.687) 4.866 6.969 ( 17.037 -5.242 -0.065) 17.825 6.989 ( -11.879 -0.186 0.911) 11.916 7.082 ( 3.569 -6.374 -6.412) 9.720 7.184 ( 0.989 -5.308 -0.946) 5.482 7.254 ( -1.523 -3.372 0.874) 3.802 7.336 ( -0.465 -3.720 1.589) 4.072 7.417 ( 3.736 -2.372 0.376) 4.441 7.443 ( -4.689 -1.279 -2.469) 5.451 7.458 ( 3.990 1.819 -5.126) 6.746 7.551 ( 1.896 3.038 2.013) 4.108 7.666 ( -1.782 3.919 0.514) 4.336 7.834 ( 0.783 -6.613 4.411) 7.987 7.893 ( -0.912 0.352 -5.876) 5.957 8.094 ( -2.446 4.174 0.056) 4.838 8.149 ( 3.525 -1.385 0.650) 3.842 8.335 ( 2.892 -9.139 -0.428) 9.595 8.495 ( -0.049 -3.360 1.998) 3.909 8.599 ( -0.859 1.539 2.345) 2.934 8.700 ( -0.236 2.937 0.462) 2.982 8.764 ( -4.477 2.316 1.306) 5.207 8.816 ( -1.965 3.635 2.853) 5.021 8.938 ( 1.693 6.221 6.565) 9.202 9.088 ( 1.891 1.049 0.374) 2.195 9.204 ( -3.066 -3.968 4.904) 7.014 9.259 ( -0.593 -0.366 2.526) 2.620 9.475 ( -0.200 -1.019 -4.337) 4.460 12.128 ( 0.045 6.883 0.726) 6.922 12.439 ( -0.441 16.356 -17.126) 23.686 13.104 ( 5.492 -2.162 1.855) 6.186 13.329 ( -1.796 -9.464 -4.430) 10.603 13.519 ( 1.845 2.825 4.211) 5.396 13.802 ( -2.566 2.175 0.769) 3.451 13.834 ( -2.310 5.378 4.580) 7.432 13.974 ( -2.502 0.436 -4.717) 5.357 14.087 ( -1.408 7.395 -5.133) 9.112 14.174 ( 2.779 9.075 -2.699) 9.868 14.542 ( 4.930 4.544 15.724) 17.094 15.631 ( 3.717 -19.443 -10.988) 22.640 15.925 ( 0.048 0.906 1.801) 2.017 15.946 ( 1.121 1.319 2.557) 3.087 16.024 ( 1.532 4.402 1.791) 4.993 16.079 ( 2.560 1.009 1.876) 3.331 16.170 ( -6.680 -0.194 -0.892) 6.742 16.244 ( -2.468 0.244 -1.864) 3.102 16.394 ( -5.544 5.930 -7.814) 11.267 16.456 ( -10.172 2.925 -9.843) 14.454 17.518 ( 1.434 8.215 10.425) 13.350 17.784 ( -0.723 -1.594 -1.940) 2.612 17.921 ( 7.166 3.014 6.023) 9.834 18.197 ( -0.521 -3.660 2.534) 4.482 18.395 ( 0.319 -5.449 -1.803) 5.749 18.621 ( -2.846 -7.438 -7.303) 10.806 18.730 ( 7.987 -6.048 6.091) 11.725 18.926 ( -1.597 -9.107 -1.354) 9.345 ======================= Grid point 70 (28/80) ======================= q-point: ( 0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 13.811 13.824 13.467) 23.732 1.428 ( 2.668 21.202 27.898) 35.141 1.738 ( 1.899 7.177 7.849) 10.804 1.809 ( -1.597 5.157 -11.529) 12.730 1.853 ( 5.887 11.031 13.623) 18.491 2.120 ( -9.666 4.952 -6.000) 12.408 2.186 ( -0.314 -0.353 4.754) 4.777 2.282 ( 10.978 -1.425 -12.697) 16.846 2.452 ( 0.656 6.757 2.937) 7.397 2.547 ( 0.254 8.729 4.161) 9.673 2.721 ( 4.635 6.262 -0.017) 7.791 2.768 ( 0.039 6.476 -2.884) 7.090 2.806 ( 3.268 7.365 -9.840) 12.718 3.051 ( -5.232 0.623 -2.845) 5.987 3.066 ( -1.016 2.935 -2.362) 3.902 3.098 ( 3.031 1.786 6.298) 7.214 3.250 ( -6.608 0.516 -6.891) 9.561 3.368 ( 4.832 0.289 -6.388) 8.015 3.469 ( -4.831 0.762 -2.155) 5.344 3.554 ( 0.236 -5.382 1.717) 5.654 3.608 ( -1.634 1.323 3.779) 4.325 3.767 ( -1.479 2.262 1.962) 3.340 3.872 ( -0.624 1.463 -5.501) 5.726 4.031 ( 0.001 2.646 0.976) 2.820 4.126 ( 3.471 0.595 -4.658) 5.840 4.254 ( -1.100 1.232 -4.575) 4.864 4.357 ( 4.076 0.381 -0.081) 4.095 4.394 ( 0.625 -4.522 -6.557) 7.989 4.465 ( -6.207 -1.886 -2.459) 6.938 4.523 ( -1.828 0.344 2.706) 3.283 4.558 ( -3.296 -2.936 7.117) 8.374 4.624 ( -1.258 1.022 2.023) 2.592 4.657 ( 0.045 -0.720 0.693) 1.001 4.778 ( -1.793 -2.758 -3.190) 4.582 4.870 ( 1.126 3.134 -3.216) 4.630 4.968 ( 5.618 5.263 1.072) 7.772 5.071 ( -1.120 -2.446 2.308) 3.544 5.107 ( 0.974 -1.883 5.120) 5.542 5.217 ( -4.027 0.496 -1.197) 4.230 5.310 ( -1.849 -0.458 -4.906) 5.263 5.433 ( 3.722 -1.177 1.839) 4.315 5.476 ( -3.379 -0.528 -2.137) 4.032 5.650 ( -6.160 -1.247 -1.026) 6.369 5.693 ( -4.609 -6.847 6.044) 10.229 5.779 ( -5.690 -0.904 0.340) 5.772 5.813 ( 5.552 -4.642 3.882) 8.212 5.899 ( -0.982 -3.737 5.190) 6.470 5.946 ( 1.991 2.369 -2.732) 4.128 6.080 ( -2.397 4.810 -3.851) 6.611 6.174 ( 8.335 -5.589 -0.626) 10.054 6.412 ( -3.709 -1.217 8.889) 9.709 6.557 ( -7.099 -0.035 2.570) 7.550 6.703 ( -3.821 -1.933 3.021) 5.241 6.725 ( -4.883 -2.120 6.093) 8.091 6.843 ( -3.152 3.857 -1.806) 5.299 7.013 ( -1.020 -9.139 -4.165) 10.095 7.137 ( 1.250 -3.983 -1.157) 4.332 7.215 ( 1.320 -8.354 0.608) 8.479 7.245 ( -2.435 -4.436 -3.790) 6.322 7.289 ( 2.693 4.220 -2.988) 5.830 7.371 ( 1.384 -4.698 -1.392) 5.091 7.493 ( 0.889 -1.615 4.514) 4.875 7.550 ( 4.182 -1.900 -0.277) 4.602 7.578 ( 5.288 6.576 -3.927) 9.307 7.669 ( -1.879 -0.390 1.719) 2.576 7.869 ( 3.191 -0.377 -4.007) 5.136 7.940 ( 6.267 1.028 -2.407) 6.792 8.104 ( 2.939 -0.056 2.625) 3.942 8.210 ( 2.639 0.720 -3.546) 4.479 8.394 ( 5.996 -1.835 -8.623) 10.662 8.514 ( -0.221 -7.972 6.252) 10.133 8.629 ( -0.805 2.545 3.411) 4.332 8.684 ( -1.529 -1.331 0.215) 2.038 8.715 ( 2.090 4.167 -0.011) 4.662 8.771 ( -7.275 4.222 5.141) 9.858 9.023 ( -1.589 -1.312 8.739) 8.978 9.078 ( -2.323 7.558 -2.708) 8.358 9.169 ( -4.569 -2.734 5.831) 7.896 9.257 ( -0.670 0.882 -2.304) 2.557 9.393 ( -3.228 2.879 -2.861) 5.186 12.135 ( -0.271 7.034 0.938) 7.101 12.231 ( -4.939 13.859 -4.533) 15.395 13.254 ( 0.032 -6.454 -4.756) 8.017 13.300 ( 7.687 -4.418 -3.143) 9.407 13.671 ( 6.798 -2.536 3.467) 8.042 13.766 ( -0.805 0.333 0.406) 0.962 13.827 ( -1.618 3.959 3.212) 5.349 13.962 ( 4.307 -0.028 -0.200) 4.312 14.035 ( 2.407 5.096 -3.956) 6.885 14.239 ( 6.610 11.800 -3.413) 13.949 14.728 ( -2.307 7.936 15.974) 17.986 15.436 ( -9.922 -18.008 -20.377) 28.948 15.958 ( -0.669 1.219 4.303) 4.522 15.983 ( -1.518 1.811 3.408) 4.147 16.026 ( -2.347 1.224 0.163) 2.652 16.097 ( -5.497 0.076 -4.321) 6.993 16.156 ( 6.214 2.005 2.921) 7.153 16.186 ( 4.263 2.857 1.692) 5.403 16.306 ( 3.566 2.706 -0.920) 4.570 16.361 ( 3.953 1.595 -0.348) 4.277 17.661 ( 5.058 4.183 5.427) 8.516 17.767 ( 1.451 -1.108 -2.105) 2.787 18.147 ( -6.454 -4.823 -0.670) 8.085 18.169 ( 5.483 2.087 11.974) 13.334 18.356 ( -0.051 -2.362 -2.657) 3.556 18.477 ( -2.017 -7.632 -9.417) 12.288 18.809 ( -6.892 -9.911 -3.039) 12.448 18.846 ( -1.521 -2.404 1.961) 3.455 ======================= Grid point 71 (29/80) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 8.703 11.743 8.643) 16.980 1.581 ( 5.110 3.797 -16.613) 17.791 1.660 ( -1.516 10.449 14.161) 17.664 1.787 ( -0.043 10.504 11.721) 15.739 1.947 ( -5.120 6.418 3.682) 8.998 2.022 ( -2.731 7.034 3.055) 8.140 2.174 ( 1.291 -0.008 -6.968) 7.087 2.352 ( -6.774 8.865 2.093) 11.351 2.500 ( 13.286 -2.579 -4.224) 14.178 2.681 ( 2.870 1.275 -4.188) 5.235 2.753 ( 3.946 5.729 -5.415) 8.816 2.815 ( -11.934 -0.651 0.008) 11.952 2.860 ( 3.747 3.729 5.128) 7.365 2.979 ( -2.431 3.134 -0.966) 4.082 3.017 ( 11.159 4.036 6.614) 13.586 3.155 ( 1.769 5.192 -3.638) 6.582 3.178 ( 1.805 -0.507 3.383) 3.868 3.337 ( -7.109 4.065 -1.413) 8.310 3.358 ( -2.463 -2.631 -3.020) 4.702 3.474 ( 3.830 4.367 -4.861) 7.574 3.684 ( -2.298 -0.688 -0.026) 2.399 3.708 ( -3.527 -4.813 -3.607) 6.972 3.962 ( 6.475 1.258 8.615) 10.850 4.018 ( 2.612 9.071 -2.642) 9.803 4.109 ( -4.802 -0.237 -0.600) 4.845 4.170 ( 3.338 2.672 -4.128) 5.943 4.237 ( -8.192 -2.736 -7.477) 11.424 4.312 ( 2.468 -3.282 -4.776) 6.299 4.424 ( -5.051 -1.352 0.057) 5.229 4.545 ( -1.607 3.154 -0.877) 3.647 4.558 ( 1.415 -1.741 1.327) 2.606 4.608 ( -3.187 -2.118 3.929) 5.484 4.751 ( 5.292 1.147 1.229) 5.552 4.818 ( 3.127 -0.714 5.734) 6.570 4.897 ( 1.180 0.774 2.070) 2.505 5.004 ( -0.525 5.646 -1.312) 5.820 5.073 ( -0.549 -0.188 1.227) 1.357 5.151 ( -1.124 2.180 -4.435) 5.068 5.168 ( 1.468 -2.479 5.057) 5.821 5.251 ( 0.902 1.140 0.752) 1.637 5.415 ( -1.354 -1.898 -0.907) 2.502 5.472 ( -4.266 -0.794 -1.643) 4.640 5.546 ( -8.456 -1.074 3.474) 9.205 5.621 ( 0.086 0.204 1.799) 1.812 5.666 ( -5.506 -1.330 0.925) 5.739 5.789 ( -6.942 -3.022 1.195) 7.665 5.912 ( 1.472 1.334 -5.321) 5.680 5.988 ( 3.613 -4.811 -0.207) 6.020 6.084 ( 2.805 -0.437 -2.326) 3.670 6.313 ( 2.269 -7.203 2.698) 8.019 6.368 ( -4.183 -0.957 0.480) 4.318 6.553 ( 3.118 0.947 1.479) 3.578 6.611 ( -7.736 -1.074 3.471) 8.546 6.705 ( 1.056 4.053 -0.183) 4.193 6.775 ( -3.261 -2.633 0.573) 4.231 6.990 ( 1.375 -9.827 -1.441) 10.027 7.123 ( -0.894 -4.116 -0.479) 4.239 7.172 ( -2.109 -4.178 0.485) 4.705 7.230 ( -2.147 -9.001 4.453) 10.269 7.300 ( 0.699 2.554 -4.583) 5.293 7.390 ( 1.763 -7.968 -1.446) 8.288 7.519 ( -2.984 -2.462 0.691) 3.930 7.600 ( 2.470 0.503 1.072) 2.739 7.672 ( 5.113 0.302 -2.524) 5.710 7.703 ( 5.354 4.038 2.020) 7.004 7.902 ( 1.870 -3.239 -2.255) 4.367 7.999 ( 3.373 1.448 0.840) 3.765 8.170 ( 4.007 0.148 -6.027) 7.239 8.252 ( 7.280 2.181 -3.630) 8.422 8.401 ( 4.073 0.376 -7.681) 8.703 8.518 ( -4.456 -5.976 0.737) 7.491 8.636 ( -7.960 4.029 5.877) 10.684 8.642 ( -1.427 -0.336 2.778) 3.141 8.769 ( 4.183 4.451 2.937) 6.778 8.800 ( 5.613 3.701 2.476) 7.164 8.931 ( -7.700 5.462 -1.370) 9.539 9.062 ( -4.463 -2.566 2.811) 5.866 9.147 ( -2.225 0.693 0.891) 2.495 9.171 ( -3.410 3.277 -0.774) 4.792 9.340 ( -1.441 6.704 -0.349) 6.866 12.133 ( -0.624 6.843 0.286) 6.878 12.159 ( -0.953 8.970 -0.788) 9.055 13.233 ( 1.336 -5.453 -0.773) 5.668 13.369 ( 2.520 -2.804 -0.555) 3.811 13.727 ( 3.422 -5.174 -4.054) 7.410 13.771 ( -1.346 0.494 2.244) 2.663 13.841 ( -0.859 1.785 2.596) 3.265 13.985 ( -0.616 1.945 0.132) 2.044 14.227 ( 9.704 13.319 -1.484) 16.546 14.402 ( 17.449 -0.849 2.307) 17.621 14.774 ( -7.381 10.654 12.298) 17.867 14.934 ( -17.280 -11.240 -22.508) 30.521 15.961 ( -1.101 0.802 1.286) 1.873 15.989 ( -1.257 0.888 3.519) 3.841 16.023 ( 1.272 -3.623 -1.054) 3.982 16.041 ( -0.464 -1.917 2.083) 2.869 16.211 ( 1.068 2.870 -2.290) 3.824 16.249 ( 1.593 3.389 -0.751) 3.819 16.458 ( 5.791 0.358 4.029) 7.063 16.500 ( 4.811 0.191 3.543) 5.978 17.792 ( 4.584 -1.586 0.841) 4.923 17.829 ( 6.229 1.556 1.702) 6.642 17.967 ( -6.977 -6.170 -4.976) 10.560 18.158 ( -8.134 -0.752 0.030) 8.169 18.413 ( 2.760 -7.221 -4.224) 8.809 18.502 ( 8.074 2.808 6.483) 10.729 18.649 ( -5.827 -10.628 -1.456) 12.208 18.758 ( -7.976 1.343 -0.395) 8.098 ======================= Grid point 72 (30/80) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -14.881 6.329 -1.211) 16.216 1.751 ( 5.543 8.720 9.804) 14.243 1.829 ( -2.741 15.081 7.084) 16.886 1.868 ( 10.192 5.884 8.036) 14.251 1.942 ( 0.207 2.203 7.744) 8.053 2.033 ( -3.403 8.919 10.095) 13.894 2.188 ( 7.045 1.686 2.702) 7.731 2.306 ( -0.736 3.709 -2.805) 4.708 2.578 ( -9.253 1.236 -10.067) 13.729 2.636 ( -3.722 2.506 -6.122) 7.590 2.691 ( 0.963 -0.487 -0.233) 1.104 2.713 ( 5.358 1.675 -7.124) 9.070 2.823 ( 0.432 3.989 -1.078) 4.155 2.988 ( 0.337 3.639 -5.616) 6.701 3.025 ( -3.872 0.073 -5.039) 6.356 3.082 ( -1.133 5.205 -4.051) 6.693 3.210 ( -3.184 4.873 2.466) 6.321 3.328 ( 2.058 -6.421 2.285) 7.119 3.370 ( -0.971 3.171 -0.480) 3.351 3.564 ( 7.788 5.665 -3.119) 10.123 3.611 ( -4.122 -2.136 1.745) 4.960 3.701 ( 4.425 -7.360 3.470) 9.262 3.986 ( -3.695 4.241 -3.233) 6.488 4.016 ( -4.311 2.342 -0.648) 4.949 4.082 ( 4.068 6.867 -2.458) 8.352 4.124 ( 3.713 -3.952 -0.882) 5.494 4.295 ( 4.258 -2.145 -1.277) 4.936 4.357 ( -1.190 -1.916 -0.281) 2.273 4.383 ( 10.012 0.945 4.321) 10.945 4.465 ( -4.073 2.114 -1.949) 4.986 4.531 ( -2.933 1.264 -0.717) 3.274 4.644 ( 2.720 2.301 2.694) 4.466 4.770 ( -3.143 5.212 2.304) 6.507 4.904 ( -0.649 -4.180 3.435) 5.449 4.953 ( 0.727 2.515 1.967) 3.275 4.996 ( -5.316 -1.927 -0.243) 5.660 5.056 ( 2.753 1.399 0.114) 3.090 5.159 ( -3.527 -1.176 -1.222) 3.914 5.228 ( 3.253 -2.589 -0.192) 4.162 5.272 ( 6.333 -2.143 3.723) 7.653 5.374 ( -3.831 1.754 0.933) 4.316 5.407 ( -1.517 0.890 2.404) 2.979 5.492 ( -1.064 -1.364 6.417) 6.646 5.558 ( -0.392 8.284 -2.621) 8.697 5.686 ( 0.303 -0.400 2.434) 2.485 5.710 ( -2.302 -5.816 -1.749) 6.495 5.847 ( -0.542 -2.466 -7.923) 8.315 6.002 ( -0.438 -2.991 -3.744) 4.813 6.112 ( 0.767 -1.142 0.973) 1.686 6.280 ( 0.632 1.740 -0.525) 1.924 6.333 ( -9.583 5.398 -5.702) 12.389 6.438 ( 4.255 -0.751 -1.755) 4.663 6.655 ( -7.796 -5.657 1.416) 9.736 6.702 ( 3.240 0.486 0.059) 3.276 6.863 ( 7.280 -4.556 8.390) 12.006 7.013 ( 0.377 -10.338 0.740) 10.372 7.099 ( -0.068 -5.577 -1.643) 5.814 7.189 ( -0.214 -3.021 4.636) 5.538 7.210 ( -4.557 -7.595 5.027) 10.185 7.253 ( 1.488 -1.330 -5.924) 6.252 7.397 ( 0.667 -3.477 -4.640) 5.836 7.424 ( -1.864 -9.962 -4.289) 11.005 7.637 ( -2.523 1.295 -0.382) 2.862 7.707 ( -0.658 -2.765 5.864) 6.517 7.847 ( 6.839 6.772 2.214) 9.876 7.916 ( 1.600 -1.624 0.110) 2.282 8.089 ( 2.357 2.857 0.239) 3.712 8.225 ( 6.701 -2.046 -3.691) 7.919 8.292 ( 0.681 -4.851 -6.497) 8.137 8.350 ( -1.098 -2.282 -5.386) 5.952 8.443 ( -3.931 2.944 -0.130) 4.913 8.534 ( -1.610 3.003 -2.421) 4.180 8.679 ( -1.230 4.843 5.587) 7.496 8.792 ( -3.066 4.467 -1.857) 5.727 8.849 ( -0.182 3.813 1.726) 4.189 8.898 ( -5.513 7.018 2.193) 9.190 8.977 ( 3.225 -0.526 0.102) 3.269 9.112 ( -1.616 3.592 1.106) 4.091 9.184 ( 2.696 -0.894 2.710) 3.926 9.310 ( -0.704 6.830 -1.781) 7.093 12.128 ( -0.062 6.322 0.222) 6.326 12.150 ( 0.409 8.081 -0.304) 8.097 13.291 ( 2.536 -6.892 4.257) 8.488 13.402 ( 1.006 -3.220 0.732) 3.452 13.765 ( -1.190 -0.732 1.621) 2.140 13.775 ( 4.656 -1.804 -1.450) 5.199 13.843 ( -0.840 -0.387 1.607) 1.854 13.968 ( -2.346 1.600 0.866) 2.969 14.278 ( 2.683 16.820 -6.275) 18.152 14.409 ( -14.444 -7.048 -17.766) 23.957 14.693 ( -8.694 12.414 7.733) 17.015 14.911 ( 24.187 -8.290 4.524) 25.965 15.959 ( -0.515 0.105 1.405) 1.500 15.996 ( -1.403 1.240 3.014) 3.549 16.039 ( 0.475 -3.885 0.680) 3.972 16.077 ( 0.630 -0.550 2.971) 3.086 16.205 ( 1.160 0.856 -1.484) 2.069 16.263 ( 0.841 1.293 0.026) 1.543 16.456 ( -5.189 -0.041 -3.579) 6.304 16.518 ( -3.934 0.045 -1.847) 4.347 17.865 ( -1.829 -4.343 0.244) 4.719 17.907 ( 5.506 -3.645 1.623) 6.799 17.934 ( -1.685 0.485 0.390) 1.796 18.002 ( -1.680 1.984 -2.380) 3.524 18.488 ( 6.952 -5.817 -0.393) 9.073 18.554 ( -9.244 1.462 -2.334) 9.645 18.609 ( 0.492 -10.926 3.681) 11.540 18.687 ( 4.366 1.644 3.230) 5.675 ======================= Grid point 73 (31/80) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -19.872 6.974 -1.700) 21.129 1.525 ( -26.271 18.632 6.323) 32.822 1.811 ( -28.964 14.306 -2.358) 32.391 1.963 ( -5.471 4.323 9.110) 11.472 2.004 ( 2.572 3.684 4.035) 6.039 2.124 ( -2.531 3.046 5.994) 7.184 2.316 ( 5.303 5.363 -3.667) 8.386 2.342 ( -2.622 6.755 5.406) 9.041 2.377 ( 9.210 1.467 -0.264) 9.330 2.506 ( 5.877 2.327 -5.685) 8.502 2.681 ( -2.167 10.255 -2.817) 10.854 2.800 ( 5.774 2.018 -2.607) 6.649 2.854 ( 3.121 1.939 -2.845) 4.647 3.022 ( 5.852 2.623 0.778) 6.460 3.057 ( 2.648 -2.838 -1.173) 4.055 3.084 ( 10.893 2.574 -3.942) 11.866 3.183 ( -1.191 0.758 4.153) 4.386 3.291 ( -0.370 8.109 -3.824) 8.973 3.418 ( 3.294 -7.814 1.242) 8.570 3.511 ( -2.712 -3.814 -2.073) 5.119 3.636 ( 0.128 1.048 -1.535) 1.863 3.718 ( -1.587 0.189 2.934) 3.341 3.933 ( -0.984 4.309 -4.947) 6.634 4.026 ( 0.256 1.512 -0.935) 1.796 4.167 ( 6.032 2.232 0.507) 6.452 4.220 ( 4.488 -3.630 2.785) 6.409 4.296 ( 2.975 -1.653 -4.269) 5.460 4.360 ( 2.330 1.550 -3.409) 4.411 4.400 ( -0.835 -1.138 -2.509) 2.879 4.474 ( 0.850 4.070 -0.929) 4.260 4.661 ( 9.108 1.181 7.105) 11.612 4.693 ( -6.258 -0.758 5.150) 8.140 4.725 ( -0.089 4.318 0.916) 4.415 4.817 ( -7.433 -4.989 0.619) 8.973 4.900 ( 0.885 -3.418 -0.939) 3.654 4.981 ( -1.364 2.416 3.994) 4.863 5.104 ( -0.574 -2.650 -2.022) 3.383 5.150 ( -3.154 -0.025 5.478) 6.321 5.244 ( 5.081 5.902 -0.218) 7.791 5.279 ( -2.625 1.176 -0.798) 2.985 5.427 ( 4.186 -4.512 1.715) 6.389 5.449 ( 1.426 -1.109 0.260) 1.825 5.553 ( -3.526 -8.698 -5.511) 10.884 5.595 ( 4.232 3.380 1.108) 5.528 5.619 ( -0.432 -1.137 -2.870) 3.117 5.737 ( 4.201 2.123 -2.166) 5.181 5.810 ( 2.390 0.814 4.701) 5.336 5.924 ( -4.159 -4.441 -0.859) 6.145 6.107 ( -3.318 5.083 -4.523) 7.570 6.156 ( 0.802 4.803 -0.047) 4.870 6.321 ( 1.492 1.663 -1.016) 2.454 6.508 ( 3.397 3.000 2.357) 5.108 6.510 ( -7.408 -5.949 0.518) 9.515 6.763 ( 1.245 -2.062 2.012) 3.139 6.961 ( -4.720 -6.123 2.155) 8.026 7.054 ( 5.239 -5.742 -0.691) 7.803 7.108 ( 2.686 -7.698 -3.388) 8.829 7.130 ( -1.364 -4.065 0.289) 4.297 7.229 ( 0.649 -4.945 -2.352) 5.514 7.307 ( 3.655 -5.234 3.017) 7.061 7.330 ( -1.215 -0.269 0.730) 1.443 7.412 ( 0.371 -9.757 -1.723) 9.915 7.530 ( -4.094 0.411 -4.163) 5.853 7.760 ( -2.347 -0.821 8.414) 8.774 7.891 ( -5.681 6.417 2.675) 8.979 7.998 ( 3.831 1.749 2.071) 4.693 8.041 ( -2.032 -0.724 -8.576) 8.843 8.144 ( -7.251 -2.570 -0.592) 7.715 8.222 ( -3.077 -3.915 -5.355) 7.312 8.331 ( 4.353 -2.137 -6.896) 8.431 8.490 ( 0.019 4.082 -1.469) 4.338 8.517 ( 7.284 0.762 2.315) 7.681 8.648 ( -3.305 2.587 -1.323) 4.400 8.746 ( -2.677 6.020 4.952) 8.242 8.817 ( -2.627 3.398 1.508) 4.552 8.873 ( -0.324 4.430 0.773) 4.509 9.018 ( 0.276 1.052 2.044) 2.315 9.126 ( 1.010 6.838 1.973) 7.189 9.263 ( -0.484 2.643 -1.402) 3.031 9.334 ( 7.669 -0.161 0.327) 7.678 12.126 ( -0.272 5.967 -0.027) 5.973 12.183 ( 3.816 10.788 -0.109) 11.444 13.375 ( 0.882 -10.352 3.782) 11.057 13.422 ( 0.500 -4.019 0.339) 4.064 13.719 ( -6.596 -3.265 -3.717) 8.245 13.811 ( -1.514 0.319 0.950) 1.816 13.863 ( -4.072 2.522 2.153) 5.252 13.934 ( 6.217 -1.629 2.454) 6.880 14.140 ( -1.534 -0.239 -4.026) 4.315 14.232 ( -0.193 13.182 -7.676) 15.256 14.531 ( -11.098 14.534 -0.275) 18.289 15.371 ( 20.029 -13.809 -1.898) 24.402 15.966 ( -0.770 0.985 2.275) 2.596 15.990 ( -2.357 0.727 2.050) 3.208 16.022 ( -2.512 1.084 -2.320) 3.587 16.074 ( -0.987 0.514 -1.726) 2.054 16.250 ( -2.482 -2.483 2.774) 4.474 16.312 ( 3.986 -1.347 8.062) 9.094 16.356 ( 1.084 0.945 1.384) 1.996 16.397 ( -3.086 1.033 -2.535) 4.125 17.729 ( -12.355 5.376 -1.134) 13.522 17.861 ( -2.050 -3.150 2.064) 4.287 17.983 ( -1.866 1.184 -5.611) 6.031 18.042 ( 5.818 -2.686 0.437) 6.423 18.399 ( -2.937 -0.975 -0.889) 3.220 18.635 ( 4.549 -7.061 4.392) 9.479 18.723 ( 7.412 -8.972 1.636) 11.752 18.740 ( 0.509 -1.301 -2.307) 2.697 ======================= Grid point 74 (32/80) ======================= q-point: (-0.17 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -12.957 13.866 5.085) 19.647 0.820 ( -31.527 15.110 -9.148) 36.137 1.476 ( -21.374 32.907 26.903) 47.576 1.912 ( -6.647 7.543 6.613) 12.033 2.054 ( -0.076 -0.763 -2.564) 2.676 2.115 ( -3.180 6.148 6.699) 9.632 2.290 ( -6.533 8.917 1.317) 11.132 2.334 ( -0.959 1.697 -6.348) 6.641 2.386 ( 6.063 4.195 -3.051) 7.979 2.651 ( 3.402 11.225 -2.743) 12.046 2.700 ( 4.387 3.709 4.296) 7.174 2.810 ( 0.102 1.546 -5.070) 5.301 2.908 ( 3.343 4.172 -0.578) 5.378 2.975 ( -2.746 2.625 -6.139) 7.219 3.074 ( 1.707 3.834 -7.640) 8.716 3.224 ( 5.071 -2.736 -2.399) 6.242 3.258 ( -0.525 4.083 3.526) 5.420 3.427 ( 9.529 0.402 -0.730) 9.566 3.458 ( 1.262 0.751 4.547) 4.778 3.490 ( 0.031 -0.783 -0.432) 0.895 3.631 ( 2.078 -1.355 -2.467) 3.498 3.737 ( 1.245 -2.696 5.014) 5.827 3.905 ( 1.628 4.802 -1.876) 5.406 4.026 ( 4.693 0.373 -6.459) 7.993 4.183 ( 0.546 0.147 -3.952) 3.993 4.227 ( -6.683 -2.789 -1.292) 7.356 4.334 ( 0.814 -0.020 -5.164) 5.228 4.356 ( 2.874 -4.210 -0.022) 5.097 4.427 ( 4.179 -1.707 -0.186) 4.518 4.496 ( 0.968 2.934 1.192) 3.312 4.607 ( -6.494 -0.895 -3.160) 7.277 4.680 ( -0.291 2.845 6.110) 6.746 4.797 ( 0.559 0.686 -0.635) 1.089 4.875 ( 5.609 -3.471 5.286) 8.453 4.914 ( 0.445 0.076 -2.132) 2.180 5.034 ( -2.851 -0.460 2.761) 3.995 5.062 ( 5.165 1.301 3.034) 6.130 5.119 ( -5.240 0.825 3.977) 6.630 5.264 ( -2.313 -0.812 0.470) 2.496 5.352 ( -1.348 -2.337 -7.660) 8.121 5.394 ( 6.145 -1.725 -1.719) 6.610 5.413 ( -4.437 -7.670 -3.251) 9.438 5.477 ( 3.937 3.140 -4.309) 6.628 5.631 ( 5.703 -0.844 -0.953) 5.843 5.701 ( 3.023 -3.493 5.199) 6.955 5.750 ( 2.878 0.641 0.228) 2.957 5.867 ( -2.630 -6.639 4.103) 8.236 5.964 ( 1.715 6.077 1.982) 6.618 6.048 ( -0.863 4.235 -0.976) 4.431 6.220 ( 5.301 1.647 -2.617) 6.137 6.331 ( -2.015 -0.881 6.461) 6.825 6.459 ( 3.177 -3.261 8.267) 9.438 6.627 ( 3.232 2.133 6.581) 7.635 6.752 ( -2.092 -0.326 -1.155) 2.411 6.867 ( -4.964 0.031 -0.362) 4.978 7.056 ( 2.821 -6.710 -5.277) 8.990 7.116 ( 1.275 -4.758 -3.519) 6.054 7.197 ( 0.507 -2.940 -2.187) 3.700 7.256 ( 4.420 0.202 2.496) 5.080 7.312 ( -2.736 -1.970 3.684) 4.994 7.346 ( -1.456 -3.590 0.185) 3.878 7.420 ( 1.348 -6.787 1.655) 7.114 7.467 ( 3.234 -0.053 -6.026) 6.839 7.708 ( -12.453 2.443 -0.436) 12.698 7.780 ( -4.163 2.802 4.186) 6.535 7.854 ( -6.753 -4.316 -5.545) 9.746 7.997 ( -3.513 -2.344 -6.012) 7.347 8.085 ( 2.733 -3.919 1.148) 4.913 8.162 ( -3.560 4.288 0.966) 5.657 8.335 ( 1.967 -7.101 -6.638) 9.918 8.454 ( 0.350 0.752 1.455) 1.675 8.599 ( -1.195 0.373 3.853) 4.052 8.709 ( -3.036 4.334 4.183) 6.745 8.742 ( 6.339 3.909 2.377) 7.818 8.800 ( -2.240 3.242 3.048) 4.982 8.883 ( 0.967 6.530 -0.370) 6.611 9.048 ( 0.422 0.053 2.597) 2.631 9.180 ( 0.892 2.130 4.416) 4.983 9.235 ( -0.224 2.377 -0.152) 2.392 9.460 ( 5.101 -1.840 -1.781) 5.707 12.123 ( -0.036 6.330 0.191) 6.333 12.322 ( 13.540 15.699 -3.430) 21.013 13.326 ( -9.954 -10.359 -9.086) 16.999 13.395 ( -2.439 -11.511 -1.312) 11.839 13.509 ( -4.094 1.975 -0.621) 4.588 13.816 ( -0.729 2.794 3.242) 4.341 13.834 ( -2.169 4.368 2.395) 5.433 14.068 ( -0.803 0.959 2.755) 3.025 14.134 ( -1.419 6.482 -5.687) 8.739 14.195 ( 1.537 6.945 5.737) 9.139 14.345 ( -0.629 9.497 -2.646) 9.879 15.593 ( 9.711 -17.043 -7.606) 21.038 15.937 ( -1.235 1.038 -1.112) 1.959 15.946 ( -2.580 -0.013 -0.814) 2.705 15.990 ( 0.445 3.585 1.429) 3.885 16.052 ( -0.590 1.312 1.060) 1.787 16.222 ( -1.351 -0.751 0.717) 1.704 16.302 ( -2.202 0.779 -1.333) 2.689 16.490 ( 4.243 -0.779 4.711) 6.387 16.555 ( 5.287 -1.003 5.589) 7.759 17.493 ( -9.837 10.864 3.356) 15.035 17.825 ( -2.425 -2.147 -0.532) 3.282 17.874 ( -2.042 2.075 -3.564) 4.602 18.143 ( 3.637 -2.962 1.578) 4.949 18.392 ( 1.042 -4.682 -1.199) 4.944 18.650 ( -3.263 -3.248 -3.798) 5.969 18.695 ( -0.412 -7.428 -0.438) 7.452 18.884 ( 6.047 -8.302 0.764) 10.299 ======================= Grid point 75 (33/80) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 10.540 27.681 -0.843) 29.632 1.292 ( 19.587 27.118 8.610) 34.542 1.956 ( -2.202 -0.040 -14.035) 14.207 2.024 ( -7.622 18.738 10.846) 22.954 2.101 ( 1.703 10.602 4.835) 11.776 2.238 ( -1.152 5.646 0.094) 5.763 2.318 ( -4.015 13.691 -0.454) 14.275 2.431 ( -2.396 7.820 0.266) 8.183 2.565 ( -0.052 6.886 1.945) 7.155 2.782 ( -3.620 3.680 7.518) 9.120 2.852 ( 0.670 7.398 -11.436) 13.637 2.935 ( 6.233 6.470 -3.368) 9.594 3.016 ( 0.653 3.116 -4.218) 5.285 3.055 ( 3.921 5.794 1.076) 7.079 3.157 ( -3.073 9.355 -1.007) 9.898 3.234 ( -5.011 3.574 -3.828) 7.249 3.335 ( -1.593 0.917 1.241) 2.217 3.350 ( -0.246 -3.422 0.643) 3.490 3.506 ( 0.307 2.873 2.831) 4.045 3.586 ( -3.650 4.848 -0.816) 6.123 3.635 ( 1.271 -2.057 -2.000) 3.138 3.797 ( 2.856 -0.015 6.161) 6.791 3.965 ( -5.334 -3.161 -2.962) 6.871 4.021 ( 0.872 3.916 4.516) 6.041 4.082 ( 2.456 -3.319 -3.321) 5.299 4.196 ( 0.162 -2.293 -5.002) 5.505 4.217 ( 4.686 0.240 3.599) 5.914 4.339 ( -0.604 -0.269 -0.241) 0.704 4.409 ( -1.074 -6.385 -0.015) 6.474 4.490 ( 0.496 0.528 1.503) 1.669 4.667 ( 1.563 4.955 1.304) 5.357 4.714 ( -2.338 -3.554 -6.746) 7.975 4.780 ( -4.705 0.155 -1.653) 4.990 4.876 ( -1.922 -0.467 -1.202) 2.314 4.900 ( 5.450 1.708 -1.563) 5.922 4.956 ( 0.235 -1.207 3.343) 3.562 5.032 ( -6.814 2.541 -2.516) 7.695 5.113 ( -2.557 2.665 -4.440) 5.776 5.174 ( 1.000 -5.860 4.880) 7.691 5.254 ( 1.190 1.611 1.289) 2.382 5.357 ( 4.759 -2.974 4.064) 6.929 5.441 ( -2.045 -4.088 0.298) 4.581 5.528 ( 5.888 -2.706 1.730) 6.707 5.568 ( -2.703 -3.888 -6.412) 7.971 5.729 ( 0.889 -4.558 0.152) 4.646 5.760 ( 3.747 -5.223 9.189) 11.215 5.815 ( -1.334 -3.890 -0.722) 4.175 5.854 ( -2.988 -2.733 -0.949) 4.159 6.119 ( 1.726 3.378 -5.594) 6.759 6.298 ( -3.471 -1.253 -1.716) 4.069 6.326 ( 1.344 -6.108 7.187) 9.527 6.518 ( 0.831 -6.711 4.599) 8.178 6.602 ( -2.558 -4.108 1.747) 5.145 6.752 ( -1.545 1.425 3.335) 3.942 6.878 ( 2.911 -7.294 -4.963) 9.290 6.988 ( 2.791 -4.840 0.367) 5.599 7.048 ( 1.945 -1.743 -2.442) 3.576 7.065 ( -1.976 2.782 -2.559) 4.265 7.191 ( -0.607 -4.507 -2.348) 5.118 7.205 ( -1.078 -5.472 -1.282) 5.723 7.344 ( 3.044 -2.139 1.610) 4.054 7.436 ( -0.629 -0.863 -0.796) 1.332 7.474 ( -0.791 -4.374 0.091) 4.446 7.618 ( 2.364 4.291 1.290) 5.066 7.696 ( 0.277 -5.231 1.406) 5.424 7.798 ( -0.569 5.918 -0.434) 5.962 7.897 ( -1.032 2.239 3.626) 4.385 8.117 ( 5.537 -4.947 0.949) 7.485 8.190 ( -1.393 6.370 -1.045) 6.604 8.272 ( 2.928 2.251 -5.249) 6.418 8.493 ( -0.302 2.840 -0.346) 2.877 8.623 ( -1.454 1.255 2.589) 3.223 8.752 ( -0.767 0.857 -1.820) 2.153 8.826 ( -5.057 4.714 0.743) 6.953 8.868 ( 0.725 1.965 4.416) 4.887 9.025 ( -6.900 2.096 5.749) 9.222 9.150 ( -4.395 0.578 3.546) 5.677 9.208 ( 6.721 6.905 -0.318) 9.641 9.302 ( 1.247 4.049 -1.227) 4.411 9.435 ( 1.942 -2.917 -3.365) 4.858 12.285 ( -0.248 8.080 1.657) 8.252 12.633 ( 1.547 5.865 -10.206) 11.872 13.046 ( 2.566 -3.967 0.981) 4.825 13.129 ( -1.267 -9.749 -1.196) 9.904 13.586 ( 2.640 3.803 2.029) 5.055 13.857 ( -5.044 2.931 -0.772) 5.885 13.971 ( -4.045 8.026 7.636) 11.794 13.992 ( -3.280 1.409 -2.688) 4.469 14.147 ( -2.986 0.364 0.592) 3.066 14.459 ( 4.144 16.750 -6.754) 18.530 14.706 ( 11.892 11.394 7.465) 18.082 15.211 ( -1.120 -21.290 -5.178) 21.939 15.947 ( 0.737 1.475 1.427) 2.180 15.986 ( 1.488 2.629 3.784) 4.842 16.049 ( 0.890 -1.478 2.553) 3.081 16.081 ( -0.690 -0.840 4.632) 4.758 16.198 ( -3.502 2.367 -1.341) 4.434 16.262 ( -1.418 1.529 -2.182) 3.018 16.456 ( -4.399 1.098 -4.168) 6.159 16.490 ( -6.844 0.569 -6.669) 9.573 17.694 ( 0.514 7.879 2.059) 8.160 17.746 ( -0.900 -1.965 -0.213) 2.172 18.008 ( 8.343 5.690 4.424) 11.025 18.102 ( -0.956 -5.080 1.997) 5.541 18.269 ( 1.478 -6.756 -1.992) 7.197 18.422 ( -4.791 -11.864 -4.548) 13.580 18.650 ( 6.516 -4.179 0.505) 7.757 18.688 ( -1.916 -12.778 -0.426) 12.928 ======================= Grid point 76 (34/80) ======================= q-point: ( 0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 17.521 25.452 -2.310) 30.986 1.705 ( 1.988 3.122 -4.975) 6.201 1.900 ( 11.918 9.714 4.123) 15.918 1.941 ( -5.431 10.162 -1.776) 11.658 2.111 ( -5.538 0.346 -17.504) 18.362 2.177 ( -1.122 14.749 10.796) 18.313 2.289 ( -0.718 12.026 1.909) 12.197 2.365 ( 0.507 7.488 0.393) 7.516 2.632 ( 4.707 9.614 6.581) 12.566 2.796 ( 1.866 9.837 -5.709) 11.526 2.799 ( -2.112 7.958 6.191) 10.301 2.934 ( -3.526 2.770 -3.251) 5.539 2.960 ( -2.779 7.166 -1.458) 7.823 3.028 ( -7.138 -1.683 -3.001) 7.924 3.083 ( -4.369 -0.221 0.070) 4.375 3.158 ( 0.494 5.050 5.194) 7.261 3.277 ( -2.222 1.579 -1.743) 3.236 3.358 ( -0.879 1.590 1.940) 2.658 3.519 ( -1.872 -0.302 2.275) 2.962 3.593 ( 0.447 5.209 -3.283) 6.173 3.622 ( 3.134 4.354 3.079) 6.186 3.786 ( -7.117 1.867 2.141) 7.663 3.900 ( 2.679 2.256 -3.382) 4.869 4.066 ( 1.540 -1.325 2.355) 3.110 4.129 ( 1.366 -1.680 -0.286) 2.184 4.229 ( 3.001 -2.649 -3.413) 5.260 4.285 ( -4.924 -5.441 -3.257) 8.029 4.352 ( 5.512 -1.740 2.456) 6.281 4.435 ( 3.975 3.420 -1.704) 5.513 4.516 ( -0.030 -0.101 3.941) 3.942 4.576 ( -6.112 0.080 0.438) 6.128 4.677 ( -1.620 4.507 -3.474) 5.916 4.688 ( -0.598 2.464 -0.718) 2.635 4.748 ( -0.182 2.668 -1.828) 3.240 4.949 ( -1.914 3.562 -4.516) 6.062 5.012 ( 1.751 -0.815 4.599) 4.988 5.026 ( 4.934 -3.400 2.728) 6.584 5.103 ( 1.880 1.770 1.285) 2.884 5.193 ( -1.592 -1.723 -2.266) 3.262 5.270 ( 0.369 -0.605 -2.301) 2.408 5.379 ( -3.844 -7.147 0.525) 8.132 5.434 ( -0.404 -2.235 -3.777) 4.408 5.489 ( 3.371 -3.768 4.265) 6.614 5.649 ( -5.342 -5.205 4.468) 8.694 5.720 ( 1.346 -3.221 -1.703) 3.885 5.773 ( -0.095 -2.733 -0.420) 2.766 5.823 ( 0.155 -2.743 2.134) 3.479 5.932 ( 5.408 -3.785 2.609) 7.098 6.089 ( 0.573 -1.952 -4.024) 4.509 6.169 ( -5.062 0.616 -4.682) 6.923 6.374 ( -3.179 -3.444 7.855) 9.147 6.525 ( -5.671 -8.117 0.579) 9.918 6.572 ( -2.558 -2.844 5.715) 6.878 6.704 ( -1.918 -1.615 1.437) 2.890 6.846 ( -1.888 -5.176 -2.336) 5.984 6.952 ( -4.532 5.179 -1.512) 7.046 7.006 ( -1.006 -9.797 -1.818) 10.015 7.095 ( 3.124 -1.357 0.730) 3.483 7.169 ( -1.692 -3.655 -0.348) 4.043 7.193 ( -0.463 -6.471 -1.000) 6.564 7.402 ( 2.768 -0.246 -8.425) 8.872 7.436 ( 2.374 -2.588 -0.894) 3.625 7.518 ( 3.138 -0.914 3.178) 4.559 7.582 ( -4.281 -6.211 5.139) 9.127 7.709 ( 3.431 4.230 -4.107) 6.821 7.870 ( 2.013 1.728 2.676) 3.768 8.019 ( 8.127 5.960 -1.304) 10.163 8.134 ( 1.704 2.331 -0.856) 3.012 8.233 ( 2.196 0.357 2.518) 3.360 8.324 ( 7.390 -3.667 -8.511) 11.853 8.467 ( -1.956 3.593 -1.415) 4.328 8.664 ( 0.200 -0.876 3.014) 3.145 8.684 ( -2.172 2.882 1.729) 4.002 8.776 ( 0.488 1.670 1.727) 2.451 8.884 ( -5.287 6.094 5.525) 9.778 8.982 ( -3.177 -2.318 5.861) 7.058 9.111 ( -3.989 -1.283 3.924) 5.741 9.202 ( -0.897 3.116 -5.562) 6.438 9.359 ( 1.381 6.671 -1.765) 7.037 9.454 ( 3.388 4.446 -0.614) 5.623 12.292 ( -0.985 7.911 1.912) 8.199 12.482 ( -5.284 10.649 -5.955) 13.296 13.097 ( -0.375 -8.893 -1.701) 9.062 13.186 ( 8.772 -6.388 -2.030) 11.039 13.658 ( -0.289 0.894 0.855) 1.271 13.783 ( 1.239 1.550 1.356) 2.403 13.913 ( -3.130 2.651 3.877) 5.644 13.972 ( -3.242 3.044 2.711) 5.208 14.097 ( 0.496 1.514 0.275) 1.617 14.577 ( 10.059 20.395 -3.501) 23.009 14.953 ( 5.459 10.697 4.231) 12.733 15.047 ( -7.655 -16.292 -10.168) 20.674 15.967 ( -1.812 -0.225 1.980) 2.693 16.030 ( -1.901 1.929 3.603) 4.507 16.055 ( -3.733 0.999 0.414) 3.886 16.091 ( -3.827 -0.206 -2.708) 4.692 16.193 ( 6.119 2.120 6.799) 9.390 16.230 ( 0.879 1.591 1.011) 2.080 16.352 ( 0.314 1.414 -2.105) 2.555 16.387 ( 2.352 0.964 -0.764) 2.654 17.717 ( -0.423 -1.721 -0.077) 1.774 17.766 ( 3.586 3.402 1.178) 5.081 18.024 ( -7.410 -6.890 -1.922) 10.300 18.190 ( -0.922 -1.794 3.256) 3.829 18.257 ( -3.697 -13.264 -6.731) 15.327 18.344 ( 9.789 2.375 2.439) 10.364 18.554 ( -7.645 -14.354 -2.420) 16.442 18.799 ( 4.302 -2.373 0.023) 4.914 ======================= Grid point 77 (35/80) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( 6.685 -0.747 -12.293) 14.013 1.703 ( 13.023 23.456 -3.911) 27.112 1.765 ( 0.990 5.646 -10.469) 11.935 1.909 ( 4.959 -6.333 -13.790) 15.964 2.090 ( -7.087 8.034 -0.002) 10.713 2.144 ( -3.447 13.533 16.309) 21.471 2.372 ( 3.645 11.614 0.410) 12.180 2.467 ( 5.910 0.285 3.297) 6.773 2.612 ( -12.378 16.223 5.487) 21.130 2.678 ( -8.311 -2.619 0.370) 8.722 2.769 ( -4.280 -2.928 -10.315) 11.545 2.889 ( 2.839 7.238 -1.148) 7.860 2.970 ( 1.412 5.971 3.286) 6.960 2.983 ( -4.406 -2.568 1.995) 5.476 3.119 ( 4.054 4.889 10.602) 12.359 3.214 ( 4.761 4.575 6.525) 9.283 3.261 ( -0.807 4.749 -1.034) 4.927 3.363 ( 0.500 5.091 -0.927) 5.199 3.470 ( -4.477 4.472 0.522) 6.349 3.514 ( -4.984 0.505 -0.661) 5.053 3.695 ( -3.259 0.327 -0.475) 3.309 3.728 ( 2.776 10.286 1.930) 10.828 3.966 ( 3.472 -0.851 1.563) 3.902 4.077 ( -0.422 -2.335 -0.561) 2.439 4.107 ( -0.592 -1.867 -2.682) 3.321 4.214 ( 0.257 0.528 -2.608) 2.674 4.249 ( -0.370 -2.165 3.162) 3.850 4.275 ( -5.109 5.981 -5.792) 9.768 4.397 ( -1.290 2.418 -3.499) 4.444 4.532 ( 2.184 0.158 2.287) 3.166 4.628 ( -1.490 5.154 0.866) 5.434 4.653 ( 0.775 5.890 -4.759) 7.612 4.770 ( 9.423 -0.263 3.226) 9.963 4.832 ( 4.118 1.876 4.773) 6.577 4.931 ( 3.206 2.344 0.580) 4.014 5.025 ( -2.205 -6.339 -3.407) 7.527 5.072 ( -1.387 -3.519 -2.016) 4.286 5.107 ( -0.422 4.555 1.103) 4.705 5.180 ( 1.380 -2.080 1.747) 3.047 5.270 ( 1.752 1.258 -1.906) 2.879 5.308 ( -2.673 -5.405 0.380) 6.042 5.450 ( -1.593 -2.801 1.285) 3.469 5.519 ( -7.210 -2.544 4.247) 8.747 5.573 ( 1.897 -3.474 2.473) 4.668 5.659 ( -4.709 3.971 -0.699) 6.200 5.798 ( -1.720 -0.748 -1.638) 2.490 5.864 ( 4.389 -6.570 1.829) 8.110 5.960 ( -1.550 0.999 -5.803) 6.089 6.045 ( 1.647 -2.944 -5.758) 6.674 6.125 ( 1.812 -10.084 2.438) 10.532 6.369 ( -3.341 -0.096 2.427) 4.131 6.462 ( -4.645 -11.166 7.052) 13.999 6.601 ( 2.255 1.667 3.656) 4.608 6.724 ( 0.775 -0.466 0.925) 1.293 6.786 ( -2.454 -3.588 -0.262) 4.355 6.843 ( -4.288 0.791 -3.961) 5.891 6.964 ( 0.298 -8.889 -2.875) 9.348 7.097 ( -3.323 -1.704 -0.095) 3.736 7.149 ( -3.967 -2.697 5.697) 7.448 7.188 ( 1.243 -9.391 0.983) 9.524 7.333 ( 0.147 -1.060 -8.614) 8.680 7.421 ( -2.260 -5.660 -2.439) 6.565 7.558 ( 2.373 -3.719 2.071) 4.874 7.651 ( 0.423 -0.675 2.412) 2.540 7.784 ( 8.535 2.221 -2.524) 9.173 7.883 ( 0.171 3.299 -5.253) 6.205 8.067 ( 4.020 3.538 2.496) 5.908 8.211 ( 5.368 -5.370 -12.256) 14.417 8.256 ( 0.837 3.843 -2.222) 4.517 8.386 ( 0.457 -4.811 2.752) 5.561 8.419 ( 1.190 2.561 -0.279) 2.837 8.656 ( -2.246 1.752 1.452) 3.198 8.694 ( -5.224 1.828 9.268) 10.795 8.831 ( 1.942 -0.253 2.322) 3.037 8.915 ( 4.786 7.240 2.987) 9.179 8.966 ( -5.829 -2.229 5.690) 8.445 9.064 ( -1.041 3.516 -2.105) 4.228 9.149 ( -0.605 1.250 -0.538) 1.489 9.309 ( -2.745 8.229 -3.115) 9.217 9.507 ( 2.207 9.319 -1.568) 9.704 12.285 ( -1.243 7.822 1.268) 8.021 12.370 ( -2.102 11.230 -2.535) 11.702 13.088 ( 0.515 -8.602 0.011) 8.617 13.283 ( 4.216 -5.824 -2.912) 7.757 13.638 ( 1.800 -2.945 -2.612) 4.328 13.796 ( -3.091 0.684 3.635) 4.820 13.918 ( -2.769 4.607 2.396) 5.885 13.989 ( -0.240 -0.006 5.764) 5.769 14.262 ( 13.673 -3.409 7.299) 15.870 14.659 ( -11.781 -12.213 -15.270) 22.828 14.696 ( 4.066 21.087 -6.265) 22.370 15.068 ( 0.913 17.863 1.722) 17.969 15.935 ( -0.326 -1.978 -0.913) 2.203 15.976 ( -1.553 -0.667 -2.380) 2.920 16.025 ( -1.942 1.666 4.058) 4.797 16.058 ( -2.001 1.510 5.223) 5.794 16.236 ( -0.464 0.050 -1.011) 1.113 16.285 ( -0.310 0.505 -0.112) 0.603 16.471 ( 5.567 0.938 4.766) 7.389 16.509 ( 4.427 0.671 3.239) 5.526 17.682 ( -3.699 -10.661 0.289) 11.288 17.853 ( -0.369 -1.555 -1.255) 2.032 17.870 ( 2.999 0.416 -1.712) 3.479 18.122 ( -4.394 -3.688 -1.843) 6.025 18.181 ( 0.333 -15.503 -1.307) 15.561 18.405 ( -5.413 -11.788 -0.278) 12.974 18.579 ( 8.945 4.412 3.433) 10.548 18.786 ( -3.658 1.184 -3.317) 5.078 ======================= Grid point 78 (36/80) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -6.942 16.401 -14.086) 22.707 1.855 ( 10.739 0.731 -6.197) 12.420 1.876 ( 16.753 -3.827 -1.427) 17.243 2.011 ( 6.030 10.221 -0.720) 11.889 2.045 ( 3.195 1.284 5.372) 6.380 2.252 ( 2.519 7.189 8.119) 11.133 2.359 ( -6.824 9.253 8.059) 14.040 2.421 ( -9.586 12.340 2.551) 15.833 2.567 ( 1.186 -0.564 -4.001) 4.211 2.641 ( 3.940 -4.683 -5.875) 8.483 2.686 ( 3.057 3.157 6.305) 7.686 2.803 ( -9.450 9.438 -7.322) 15.231 2.947 ( -1.840 4.943 0.035) 5.274 3.022 ( 1.087 1.368 -1.314) 2.186 3.129 ( -3.147 7.856 3.126) 9.022 3.179 ( -2.647 -0.142 2.600) 3.713 3.267 ( -3.948 6.108 -2.597) 7.722 3.345 ( -4.333 8.615 -3.001) 10.099 3.435 ( 1.197 2.545 0.995) 2.983 3.555 ( -0.912 -3.843 -3.486) 5.268 3.582 ( -2.128 -1.076 9.282) 9.583 3.771 ( 2.208 12.180 -0.480) 12.388 3.982 ( -0.705 -2.125 -1.880) 2.924 4.088 ( -0.796 1.599 0.213) 1.799 4.110 ( 2.553 0.336 0.770) 2.688 4.175 ( 0.025 4.613 -5.051) 6.841 4.281 ( 3.780 0.604 3.656) 5.294 4.305 ( 3.024 -2.601 5.775) 7.018 4.393 ( 2.585 1.358 1.274) 3.186 4.544 ( -3.567 4.628 -3.016) 6.576 4.561 ( 0.179 2.792 -3.558) 4.526 4.703 ( 5.355 4.747 2.413) 7.552 4.860 ( -0.876 2.475 -3.276) 4.198 4.902 ( -5.344 -0.132 4.757) 7.156 4.931 ( -2.464 -0.151 -2.011) 3.184 4.985 ( 1.215 0.424 0.276) 1.316 5.072 ( 3.995 -0.793 -7.793) 8.793 5.122 ( -5.697 -2.444 0.255) 6.204 5.174 ( 3.253 -4.061 1.257) 5.353 5.232 ( 4.475 -0.782 0.205) 4.547 5.363 ( 0.043 -1.401 2.819) 3.149 5.431 ( -4.581 0.649 3.564) 5.840 5.467 ( 0.398 -0.541 6.165) 6.202 5.588 ( -1.053 -1.470 0.372) 1.847 5.621 ( -0.666 -4.003 1.342) 4.274 5.775 ( 2.472 -0.204 -6.979) 7.407 5.840 ( -2.767 7.212 -0.201) 7.727 5.942 ( 0.573 -1.734 -4.250) 4.626 6.033 ( 2.159 -6.062 0.468) 6.452 6.212 ( 1.535 -11.762 2.070) 12.040 6.361 ( -1.168 -1.090 2.921) 3.329 6.407 ( -4.487 -4.744 3.892) 7.602 6.616 ( -4.675 4.147 -0.595) 6.278 6.719 ( -0.893 -0.804 -0.767) 1.426 6.765 ( 3.017 -5.897 0.844) 6.677 6.845 ( 4.377 -3.862 1.530) 6.034 6.952 ( 1.441 -5.797 -4.034) 7.208 7.069 ( -1.818 -4.871 4.086) 6.612 7.128 ( -2.595 -5.913 2.562) 6.947 7.176 ( -2.909 -8.856 0.107) 9.322 7.278 ( 3.685 1.025 -7.505) 8.423 7.345 ( -0.565 -3.234 -5.450) 6.363 7.608 ( -1.690 -2.314 -3.929) 4.863 7.646 ( 0.724 -3.300 5.890) 6.791 7.879 ( 6.479 0.345 -6.063) 8.880 7.929 ( 5.121 0.554 2.549) 5.747 8.100 ( -3.142 -6.232 -7.320) 10.114 8.233 ( 6.414 -0.325 -0.309) 6.429 8.246 ( 1.481 2.465 -1.280) 3.148 8.299 ( -8.000 -0.203 0.643) 8.028 8.490 ( 1.560 1.578 2.074) 3.038 8.587 ( -2.144 3.010 -1.314) 3.922 8.747 ( -1.402 1.543 5.982) 6.335 8.851 ( -2.899 0.355 2.512) 3.852 8.883 ( -3.033 0.262 0.683) 3.120 9.007 ( 1.504 4.243 2.102) 4.968 9.050 ( -3.971 6.526 3.079) 8.236 9.168 ( 2.824 0.381 0.702) 2.935 9.261 ( 2.520 10.428 -2.159) 10.943 9.496 ( -0.460 10.350 -3.976) 11.097 12.275 ( -0.766 7.778 0.631) 7.841 12.347 ( 1.498 10.815 -1.204) 10.984 13.116 ( 0.908 -9.927 2.416) 10.257 13.308 ( 1.880 -6.134 -2.797) 6.999 13.681 ( 3.454 -3.391 -0.216) 4.845 13.798 ( 0.085 -0.393 3.860) 3.881 13.886 ( -2.476 2.631 0.428) 3.639 13.995 ( -6.103 2.262 5.927) 8.803 14.243 ( -9.206 -7.892 -10.572) 16.087 14.681 ( 8.381 13.387 -1.364) 15.853 14.716 ( 10.949 1.251 1.689) 11.149 15.045 ( -2.977 19.945 -2.805) 20.360 15.950 ( 1.426 -0.950 1.277) 2.137 15.974 ( 1.551 -2.104 1.243) 2.895 16.030 ( -2.426 1.566 4.725) 5.538 16.094 ( 0.019 1.319 6.174) 6.313 16.200 ( -1.009 -1.073 -3.008) 3.349 16.265 ( -1.064 -0.884 -1.336) 1.923 16.450 ( -5.871 -0.779 -4.799) 7.623 16.516 ( -3.657 -0.334 -2.628) 4.516 17.687 ( 2.223 -11.881 4.696) 12.967 17.864 ( 2.409 -1.883 1.554) 3.430 17.937 ( 0.124 -0.209 -0.525) 0.579 18.027 ( -0.659 0.129 -3.414) 3.479 18.273 ( 6.424 -17.326 5.404) 19.253 18.366 ( -0.062 -9.285 3.385) 9.883 18.612 ( -8.278 3.486 -5.729) 10.653 18.725 ( 4.562 1.935 -1.942) 5.322 ======================= Grid point 79 (37/80) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -4.506 22.922 -17.629) 29.266 1.779 ( -19.854 10.797 -9.113) 24.368 2.006 ( 4.139 1.860 3.183) 5.542 2.080 ( 4.673 0.877 -2.903) 5.570 2.199 ( -3.430 8.279 8.104) 12.082 2.260 ( -14.168 17.577 6.315) 23.443 2.357 ( -3.409 2.982 -8.803) 9.900 2.448 ( 11.425 4.677 -2.519) 12.599 2.491 ( 1.602 2.211 -2.119) 3.456 2.610 ( 12.566 8.330 3.978) 15.592 2.779 ( 5.396 -4.517 1.867) 7.281 2.837 ( 4.856 3.780 -0.354) 6.164 2.902 ( -3.296 7.442 4.944) 9.523 3.042 ( 0.225 5.307 3.030) 6.116 3.157 ( 4.081 5.326 1.859) 6.962 3.179 ( -1.761 2.697 -4.614) 5.627 3.233 ( 0.386 -7.537 2.591) 7.979 3.259 ( 4.018 10.660 -1.710) 11.520 3.446 ( 0.866 2.882 1.559) 3.389 3.474 ( -1.880 0.830 1.599) 2.604 3.656 ( -2.084 1.910 1.275) 3.101 3.812 ( -0.589 9.484 4.956) 10.717 3.959 ( 2.730 -0.016 -4.731) 5.462 4.084 ( -2.039 2.115 1.614) 3.352 4.147 ( 3.196 -2.108 -1.362) 4.064 4.182 ( -0.039 -1.288 3.277) 3.521 4.271 ( -0.492 -1.215 -2.916) 3.197 4.375 ( -3.558 -0.461 -1.626) 3.938 4.423 ( 1.336 4.228 -4.821) 6.550 4.554 ( 3.147 3.680 2.283) 5.353 4.625 ( 4.781 -4.052 7.899) 10.083 4.688 ( -5.008 0.272 -2.293) 5.515 4.756 ( -4.871 0.310 -4.612) 6.715 4.843 ( 0.731 6.014 3.768) 7.135 4.902 ( -1.121 2.996 -1.402) 3.492 4.997 ( -1.361 -5.238 -0.463) 5.432 5.006 ( -0.472 -0.485 1.715) 1.844 5.155 ( 1.553 0.419 -0.714) 1.760 5.255 ( 4.753 -7.223 -1.483) 8.773 5.286 ( 0.311 -0.444 2.676) 2.731 5.360 ( 0.597 -1.044 -1.504) 1.926 5.407 ( 0.530 -1.050 0.091) 1.180 5.448 ( -6.204 -1.647 -0.728) 6.460 5.574 ( -1.794 -2.371 -3.695) 4.743 5.677 ( 4.036 2.804 2.975) 5.745 5.766 ( 2.529 0.817 -1.092) 2.873 5.846 ( -5.765 -1.067 1.270) 5.999 5.911 ( 5.289 4.631 3.520) 7.862 6.102 ( 5.059 -3.171 -3.900) 7.132 6.134 ( -7.300 -10.821 -1.450) 13.133 6.335 ( -2.470 -0.463 4.340) 5.015 6.420 ( 0.296 -0.474 0.357) 0.663 6.588 ( -1.616 4.506 6.239) 7.864 6.700 ( -0.341 -4.323 0.568) 4.374 6.840 ( 1.395 -8.804 -1.757) 9.086 6.933 ( 6.517 -3.106 0.795) 7.263 6.977 ( -0.255 -5.699 -4.235) 7.105 7.011 ( 2.326 -6.656 -0.966) 7.116 7.096 ( 0.338 -5.237 0.077) 5.249 7.243 ( 5.898 -2.008 0.200) 6.233 7.289 ( 2.541 -2.988 -6.367) 7.478 7.308 ( 0.180 -1.384 0.075) 1.397 7.529 ( -1.989 -0.188 -2.296) 3.043 7.709 ( -1.174 -3.597 6.640) 7.642 7.933 ( -6.285 -8.990 -5.478) 12.261 7.949 ( -0.010 -0.121 1.495) 1.500 7.991 ( 0.990 -3.195 -4.401) 5.528 8.125 ( -4.186 -3.135 -9.043) 10.447 8.213 ( -3.766 6.134 4.887) 8.700 8.318 ( 0.448 1.614 -1.935) 2.560 8.539 ( 1.345 2.334 -1.445) 3.056 8.623 ( 6.264 5.645 4.472) 9.545 8.699 ( -2.490 2.166 -2.064) 3.892 8.826 ( -4.525 1.232 6.943) 8.379 8.895 ( 0.759 2.774 1.542) 3.263 8.954 ( -6.109 6.915 2.393) 9.532 9.046 ( -1.247 1.024 5.475) 5.707 9.256 ( 4.659 1.412 0.983) 4.967 9.318 ( 3.062 6.918 -2.387) 7.933 9.422 ( -1.460 8.364 -5.455) 10.091 12.270 ( -0.306 7.830 0.385) 7.846 12.405 ( 6.056 10.547 -1.214) 12.222 13.149 ( -0.329 -11.564 2.245) 11.785 13.293 ( -0.873 -8.408 -4.087) 9.389 13.668 ( -6.462 -1.087 -2.881) 7.158 13.810 ( 1.487 -0.614 1.056) 1.924 13.925 ( 1.276 1.452 2.706) 3.325 13.932 ( 1.542 1.696 7.553) 7.893 14.135 ( -2.563 2.149 3.946) 5.172 14.590 ( -2.297 21.287 -10.508) 23.850 14.883 ( -7.485 18.395 -9.508) 22.019 15.061 ( 11.610 -14.571 3.764) 19.007 15.983 ( -1.273 0.127 3.534) 3.758 16.012 ( -2.938 1.222 1.642) 3.581 16.038 ( 1.348 0.489 1.342) 1.964 16.072 ( -3.054 -0.412 -3.340) 4.545 16.200 ( -2.289 -2.664 1.737) 3.918 16.278 ( 5.797 -1.910 8.122) 10.160 16.360 ( 2.126 -0.379 -0.117) 2.163 16.411 ( -2.435 0.163 -2.820) 3.730 17.762 ( -0.005 -5.850 3.682) 6.912 17.829 ( -6.079 3.091 -0.862) 6.874 17.973 ( 4.442 -3.929 1.958) 6.245 18.013 ( 1.079 1.246 -7.268) 7.453 18.390 ( -5.657 -0.941 -3.051) 6.495 18.433 ( 0.264 -11.523 6.276) 13.124 18.497 ( 8.431 -11.617 4.407) 15.015 18.720 ( -0.087 -1.065 -7.835) 7.908 ======================= Grid point 80 (38/80) ======================= q-point: (-0.17 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 3.474 28.136 -10.689) 30.298 1.227 ( -15.391 25.958 -13.702) 33.142 2.019 ( 2.330 3.001 -2.411) 4.500 2.074 ( -13.056 23.879 14.664) 30.915 2.123 ( -3.568 7.058 -0.370) 7.917 2.240 ( 1.389 5.606 1.251) 5.909 2.382 ( 2.002 4.288 -6.141) 7.752 2.426 ( 4.960 0.132 -2.574) 5.589 2.523 ( -2.897 11.637 3.264) 12.428 2.809 ( -4.594 1.083 5.264) 7.070 2.850 ( 7.514 10.239 -2.611) 12.966 2.867 ( 2.270 6.345 1.849) 6.988 2.998 ( 6.294 -0.580 -5.359) 8.286 3.044 ( -1.332 8.231 -2.542) 8.717 3.139 ( 3.752 2.721 -0.631) 4.678 3.246 ( 5.558 2.865 -1.853) 6.521 3.285 ( 1.957 -2.737 3.492) 4.849 3.415 ( -5.165 5.890 2.757) 8.305 3.471 ( 4.561 -3.236 6.852) 8.844 3.557 ( 5.042 6.941 2.723) 9.001 3.605 ( 3.689 -0.790 -2.911) 4.765 3.756 ( -8.154 4.840 1.700) 9.633 3.981 ( 0.056 3.876 1.118) 4.034 4.049 ( 0.846 -0.039 -3.891) 3.982 4.159 ( -6.144 -2.008 2.772) 7.034 4.177 ( -2.249 -1.809 -2.149) 3.598 4.252 ( 2.839 -4.559 0.063) 5.370 4.355 ( 1.234 1.635 -3.841) 4.353 4.386 ( -0.281 -1.076 -0.993) 1.491 4.514 ( -3.056 -2.097 -0.673) 3.767 4.591 ( 1.503 -0.051 -1.691) 2.263 4.747 ( 3.938 2.970 -0.138) 4.934 4.806 ( 3.487 -3.520 1.683) 5.233 4.871 ( -2.378 2.659 2.009) 4.094 4.903 ( 0.685 0.826 -0.972) 1.448 4.934 ( -2.031 -4.652 0.131) 5.078 5.070 ( 3.911 -0.448 3.722) 5.418 5.190 ( -2.218 1.814 6.732) 7.317 5.203 ( -4.599 -6.188 -2.455) 8.091 5.253 ( -2.119 1.780 -1.112) 2.982 5.294 ( -2.920 -0.675 -4.787) 5.648 5.439 ( 2.672 -3.836 -1.011) 4.783 5.462 ( 3.427 1.729 -4.457) 5.882 5.570 ( 5.208 -4.001 1.723) 6.790 5.689 ( -5.802 -1.060 3.893) 7.067 5.763 ( 2.221 1.658 -4.266) 5.087 5.786 ( -0.773 -3.137 1.267) 3.471 5.958 ( -7.442 -9.550 2.820) 12.431 6.108 ( 5.176 3.140 -2.568) 6.577 6.165 ( 6.259 -1.850 1.006) 6.604 6.350 ( -0.536 -3.480 2.150) 4.125 6.451 ( 1.199 2.136 3.707) 4.444 6.621 ( -0.909 -1.780 3.239) 3.806 6.709 ( 0.265 -3.350 2.344) 4.097 6.840 ( 3.615 -6.193 -4.632) 8.537 6.922 ( 2.558 -1.655 -2.952) 4.242 7.028 ( 1.926 -4.539 2.368) 5.470 7.082 ( 2.850 -4.965 -2.826) 6.384 7.225 ( 5.640 -3.109 3.341) 7.255 7.250 ( 0.628 -3.445 -2.740) 4.446 7.265 ( -0.901 -3.251 -2.844) 4.412 7.352 ( 3.663 -2.015 1.006) 4.300 7.513 ( 0.255 2.925 -0.051) 2.937 7.705 ( -4.708 -4.002 -1.826) 6.443 7.728 ( -10.477 -2.257 0.169) 10.718 7.843 ( -1.682 -2.597 -1.310) 3.360 7.956 ( -7.676 1.222 0.812) 7.815 8.040 ( 3.656 -5.672 -2.505) 7.198 8.216 ( 1.455 3.869 -4.126) 5.841 8.298 ( -1.512 4.550 1.173) 4.936 8.514 ( -0.146 3.302 -4.326) 5.444 8.645 ( -3.254 4.044 3.698) 6.373 8.759 ( 0.936 1.701 1.346) 2.363 8.823 ( -0.258 0.853 1.835) 2.040 8.868 ( -4.207 5.434 6.643) 9.558 9.018 ( 8.701 6.700 2.088) 11.178 9.068 ( -3.739 0.922 7.403) 8.344 9.248 ( -4.488 5.672 -4.766) 8.662 9.316 ( 0.206 4.440 0.088) 4.445 9.412 ( 4.004 -2.387 -3.733) 5.972 12.273 ( 0.051 8.043 0.842) 8.087 12.547 ( 11.019 7.951 -4.017) 14.169 13.129 ( -4.067 -10.222 -1.919) 11.168 13.179 ( -4.638 -8.990 -2.195) 10.351 13.562 ( -0.867 3.180 -1.419) 3.589 13.892 ( 2.170 4.373 3.122) 5.795 13.917 ( -1.992 3.029 5.234) 6.367 14.108 ( -3.176 4.510 8.786) 10.374 14.127 ( 0.546 -2.305 1.893) 3.032 14.485 ( 4.149 16.643 -4.347) 17.694 14.613 ( -7.096 15.810 -12.837) 21.566 15.214 ( 4.054 -19.278 -1.223) 19.737 15.950 ( -1.263 1.026 -1.291) 2.077 15.963 ( -1.338 1.654 -0.514) 2.189 16.024 ( -0.417 -0.634 1.948) 2.091 16.069 ( -1.728 -0.233 3.792) 4.174 16.216 ( 0.057 0.274 1.739) 1.761 16.317 ( -2.396 0.603 -0.892) 2.627 16.472 ( 4.530 -0.856 3.739) 5.936 16.530 ( 5.314 -1.463 4.684) 7.233 17.712 ( -4.398 9.272 -0.097) 10.263 17.768 ( -1.532 -3.340 1.090) 3.833 17.932 ( 0.510 4.251 -5.899) 7.289 18.063 ( 2.783 -4.769 1.763) 5.796 18.288 ( -1.472 -4.970 -2.893) 5.936 18.490 ( -1.265 -11.930 2.584) 12.273 18.612 ( -0.421 -1.909 -7.352) 7.608 18.664 ( 4.091 -12.807 2.945) 13.764 ======================= Grid point 81 (39/80) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 8.164 24.019 5.363) 25.929 1.839 ( 10.974 21.553 -7.685) 25.377 1.950 ( -0.007 5.665 -15.203) 16.225 2.199 ( 3.017 3.362 -3.471) 5.697 2.299 ( 3.723 6.651 -0.900) 7.675 2.394 ( -4.522 5.561 0.900) 7.224 2.574 ( -3.240 9.997 6.580) 12.398 2.608 ( 0.591 7.790 3.413) 8.526 2.743 ( -6.172 3.380 9.327) 11.684 2.780 ( 0.628 6.025 3.249) 6.873 2.913 ( -2.000 0.669 -4.220) 4.718 2.981 ( -1.784 -2.296 -5.377) 6.113 3.107 ( 1.182 -11.474 5.065) 12.597 3.141 ( 4.246 3.542 -4.097) 6.882 3.200 ( -0.775 10.943 0.331) 10.975 3.261 ( -2.621 1.148 0.953) 3.016 3.391 ( -1.065 0.927 4.427) 4.647 3.456 ( -7.733 10.488 -4.227) 13.699 3.565 ( -1.518 5.094 3.508) 6.368 3.582 ( 2.633 -1.867 -1.609) 3.607 3.709 ( -1.229 4.642 0.645) 4.845 3.819 ( 2.681 2.498 -1.120) 3.832 3.888 ( -1.744 -4.486 6.498) 8.086 4.059 ( 0.316 -2.300 2.335) 3.293 4.065 ( -0.769 1.843 -1.273) 2.369 4.176 ( -1.981 3.514 0.924) 4.139 4.256 ( -1.338 1.468 1.198) 2.320 4.293 ( 2.774 -3.035 1.237) 4.294 4.327 ( -2.716 -2.875 -2.755) 4.820 4.501 ( 3.124 -3.714 0.257) 4.860 4.600 ( -1.751 -3.025 -3.981) 5.298 4.677 ( 4.276 -4.292 -0.831) 6.116 4.802 ( 0.383 2.197 -1.600) 2.745 4.851 ( 3.158 3.461 -1.469) 4.910 4.938 ( 0.191 2.077 3.353) 3.949 5.003 ( -1.408 2.343 -4.987) 5.687 5.072 ( -3.784 0.892 -1.050) 4.027 5.148 ( -0.827 3.551 0.706) 3.713 5.222 ( 0.564 4.261 6.190) 7.536 5.276 ( 3.960 -1.092 -2.737) 4.936 5.307 ( -2.326 -4.064 -4.322) 6.372 5.381 ( -2.352 4.834 1.434) 5.563 5.495 ( -1.173 -0.422 -4.383) 4.557 5.554 ( 2.122 -5.130 2.037) 5.913 5.616 ( 4.313 1.904 -2.982) 5.578 5.670 ( -2.381 -3.832 5.135) 6.835 5.739 ( -2.112 -2.435 2.530) 4.098 5.821 ( 1.405 -1.193 0.193) 1.853 6.097 ( 3.395 -7.938 -4.656) 9.809 6.168 ( -3.377 -9.915 0.865) 10.510 6.191 ( 0.337 -4.326 -0.263) 4.348 6.393 ( -1.323 -7.423 -1.803) 7.753 6.532 ( -1.185 -2.812 2.132) 3.723 6.686 ( 2.730 -9.931 -2.428) 10.582 6.819 ( 1.016 -0.250 1.153) 1.557 6.872 ( -7.858 -0.068 2.651) 8.293 7.023 ( 1.408 -3.327 -3.099) 4.760 7.102 ( 0.238 -1.745 -0.505) 1.832 7.138 ( 5.369 4.566 -6.220) 9.400 7.191 ( 1.793 1.311 -1.269) 2.558 7.308 ( 3.161 -2.434 0.683) 4.048 7.349 ( 2.752 -4.300 -1.510) 5.324 7.411 ( -4.927 -3.107 1.767) 6.087 7.608 ( -5.647 -1.045 2.972) 6.466 7.691 ( 0.621 0.048 6.675) 6.704 7.845 ( 2.666 -1.995 -0.561) 3.377 7.975 ( 8.859 -5.487 2.251) 10.661 7.978 ( 2.844 3.086 4.218) 5.950 8.312 ( 1.384 5.810 -4.264) 7.338 8.409 ( -3.180 9.663 -2.952) 10.592 8.539 ( -0.604 0.666 0.265) 0.938 8.674 ( -2.938 3.737 2.835) 5.535 8.744 ( -2.707 -0.656 -1.060) 2.980 8.893 ( -0.983 1.411 2.928) 3.396 8.949 ( -2.489 6.014 0.309) 6.516 9.050 ( -7.848 0.596 8.920) 11.896 9.194 ( -5.701 3.514 -3.008) 7.341 9.279 ( 1.700 -0.695 -5.060) 5.383 9.369 ( 5.219 -0.812 -1.575) 5.512 9.422 ( 7.129 4.763 0.216) 8.576 12.437 ( -0.618 7.215 1.911) 7.490 12.728 ( 2.546 4.221 -6.373) 8.057 12.908 ( -0.281 -9.077 1.172) 9.157 12.992 ( 1.129 -4.614 -0.992) 4.852 13.677 ( 3.732 5.475 -0.062) 6.626 13.904 ( -5.483 1.722 -1.935) 6.064 14.010 ( -2.988 -0.240 -2.396) 3.838 14.089 ( 0.159 0.826 0.166) 0.858 14.191 ( -10.522 6.890 10.925) 16.660 14.742 ( 2.786 0.155 -3.327) 4.342 14.857 ( -0.140 -0.990 -0.538) 1.135 14.954 ( 15.292 10.014 0.232) 18.281 15.983 ( -1.516 0.848 1.801) 2.503 16.010 ( 1.602 0.442 2.111) 2.687 16.037 ( -2.790 -2.430 5.162) 6.351 16.063 ( 3.725 3.651 1.388) 5.397 16.234 ( -1.007 0.658 -1.304) 1.774 16.285 ( 0.661 0.183 -1.635) 1.773 16.463 ( -4.211 -0.001 -2.992) 5.166 16.487 ( -5.546 -0.601 -4.474) 7.151 17.706 ( -2.211 -1.303 2.033) 3.274 17.821 ( 0.244 4.871 -0.674) 4.923 17.961 ( -1.512 -7.200 1.485) 7.505 18.135 ( 1.296 -6.599 -2.319) 7.113 18.180 ( 4.490 5.130 0.197) 6.820 18.198 ( -2.435 -5.309 -0.329) 5.850 18.396 ( -5.320 -13.569 2.110) 14.727 18.595 ( 8.448 -3.740 -3.210) 9.780 ======================= Grid point 82 (40/80) ======================= q-point: ( 0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -3.444 0.252 -15.172) 15.560 1.875 ( 12.434 20.379 -3.865) 24.184 2.029 ( -2.172 6.296 1.194) 6.766 2.189 ( -10.028 7.853 -11.721) 17.309 2.283 ( 0.169 4.257 -0.960) 4.368 2.333 ( 5.412 15.676 1.503) 16.651 2.495 ( -2.995 4.011 4.088) 6.463 2.597 ( -4.240 12.379 0.412) 13.092 2.744 ( -3.697 -1.400 3.163) 5.063 2.839 ( 1.765 -2.293 -1.894) 3.459 2.854 ( -2.024 -3.361 0.316) 3.936 2.927 ( -8.286 -4.252 0.813) 9.349 3.032 ( -3.670 3.470 12.969) 13.918 3.109 ( -3.486 4.295 2.908) 6.250 3.143 ( 0.617 9.359 -5.834) 11.046 3.233 ( -6.410 3.937 0.724) 7.558 3.374 ( -2.255 4.699 4.082) 6.620 3.408 ( 2.835 6.736 2.590) 7.754 3.569 ( -0.526 8.435 3.356) 9.093 3.625 ( 2.874 -3.573 -3.314) 5.658 3.747 ( 2.953 1.144 3.755) 4.912 3.834 ( 0.978 3.409 -2.524) 4.353 3.945 ( 0.773 3.204 0.942) 3.428 4.026 ( -2.290 -2.048 2.173) 3.763 4.088 ( -3.295 -1.985 -2.920) 4.829 4.161 ( 0.217 0.517 2.410) 2.475 4.226 ( 2.796 -2.341 0.551) 3.688 4.365 ( 5.177 0.241 0.314) 5.192 4.455 ( 10.303 -1.087 2.645) 10.692 4.520 ( -1.135 -1.824 0.056) 2.149 4.589 ( 2.567 3.351 -1.202) 4.389 4.721 ( 2.007 2.720 -2.507) 4.208 4.796 ( 1.728 -1.746 -3.279) 4.098 4.840 ( -2.016 7.919 -3.104) 8.741 4.912 ( 2.316 -0.789 -3.317) 4.122 4.992 ( -1.079 1.237 5.446) 5.688 5.026 ( -0.636 0.675 -0.955) 1.332 5.104 ( -2.267 0.452 -4.338) 4.916 5.223 ( -2.698 -0.901 0.684) 2.926 5.255 ( 0.106 2.041 0.460) 2.094 5.342 ( 0.626 4.287 0.848) 4.415 5.401 ( -0.147 -1.980 -0.880) 2.172 5.449 ( 1.437 -3.451 1.935) 4.209 5.545 ( -4.467 -1.337 1.081) 4.786 5.628 ( 3.479 -6.498 -1.346) 7.493 5.699 ( 2.165 -2.392 -3.187) 4.535 5.787 ( 0.240 -0.768 1.813) 1.984 5.860 ( 3.118 -2.715 3.219) 5.239 6.027 ( -3.561 -4.334 -5.594) 7.922 6.100 ( -5.000 -7.555 1.431) 9.172 6.245 ( 2.880 -8.770 0.524) 9.246 6.330 ( -2.615 -9.009 -2.197) 9.635 6.558 ( 1.530 -0.231 2.325) 2.793 6.670 ( -0.482 -3.007 -0.164) 3.049 6.773 ( -5.812 -2.094 1.115) 6.278 6.806 ( -1.715 -8.125 -0.071) 8.304 7.005 ( -2.712 -3.602 -0.012) 4.509 7.066 ( -2.438 0.609 -3.823) 4.575 7.119 ( 1.014 -0.240 -0.479) 1.146 7.209 ( -0.810 5.511 1.254) 5.710 7.315 ( 0.813 -3.673 -8.475) 9.272 7.393 ( 2.161 -3.001 -3.007) 4.766 7.470 ( 0.548 -4.128 5.441) 6.852 7.533 ( 1.177 0.926 3.914) 4.190 7.732 ( -0.922 -0.505 4.128) 4.260 7.922 ( 2.735 -0.481 1.033) 2.963 8.086 ( 1.889 -2.966 -0.890) 3.627 8.141 ( 6.745 4.962 2.772) 8.820 8.308 ( 0.688 3.064 -8.126) 8.712 8.324 ( 0.877 6.728 1.604) 6.972 8.559 ( -0.149 3.150 -0.060) 3.154 8.621 ( -4.019 -2.242 2.100) 5.059 8.727 ( -0.300 -0.077 2.774) 2.791 8.808 ( -3.125 2.841 -1.178) 4.385 8.945 ( -3.928 -0.941 5.660) 6.953 8.998 ( -2.799 4.591 3.742) 6.551 9.106 ( -2.808 0.575 1.985) 3.486 9.238 ( 0.502 0.033 -4.707) 4.734 9.452 ( 4.854 4.626 -3.071) 7.375 9.576 ( 7.407 5.435 -0.668) 9.212 12.440 ( -1.114 7.073 1.957) 7.423 12.661 ( -2.179 7.716 -4.917) 9.406 12.913 ( -0.472 -9.283 0.438) 9.306 13.058 ( 6.295 -6.406 -1.998) 9.201 13.692 ( -4.470 2.369 -2.379) 5.590 13.828 ( 0.746 2.300 2.158) 3.241 13.908 ( -2.644 -0.978 -0.103) 2.821 14.089 ( -7.616 6.784 5.996) 11.831 14.120 ( 0.634 0.731 3.944) 4.061 14.637 ( -9.539 -16.961 -3.742) 19.815 15.011 ( 14.725 20.224 -4.723) 25.459 15.272 ( 15.460 14.243 -1.791) 21.097 15.961 ( -2.858 -0.005 1.105) 3.065 16.026 ( -3.029 -1.483 3.197) 4.647 16.064 ( 1.011 -0.722 -0.257) 1.269 16.091 ( -3.744 0.055 -0.295) 3.756 16.247 ( 1.231 2.738 4.652) 5.537 16.259 ( -1.051 1.962 1.614) 2.749 16.360 ( -0.803 -0.515 -1.618) 1.878 16.401 ( 3.369 0.249 0.475) 3.412 17.641 ( -8.106 -5.138 1.412) 9.701 17.841 ( 2.098 3.457 -0.189) 4.048 17.887 ( -6.438 -8.987 -0.578) 11.070 17.988 ( -8.387 -9.138 -5.138) 13.426 18.112 ( -1.259 -5.005 -1.053) 5.267 18.279 ( -6.381 -12.437 -0.091) 13.978 18.448 ( 12.941 6.420 2.417) 14.647 18.747 ( 7.809 -3.036 -1.804) 8.571 ======================= Grid point 83 (41/80) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 5.024 -4.476 -14.482) 15.969 1.882 ( -0.433 3.374 -10.109) 10.666 1.925 ( -1.048 8.485 -5.080) 9.945 2.147 ( -5.936 -0.003 -3.314) 6.799 2.156 ( 10.257 16.886 -0.425) 19.761 2.317 ( -11.992 1.514 3.663) 12.630 2.419 ( -10.020 -5.831 7.295) 13.697 2.571 ( -3.604 1.667 -5.659) 6.913 2.642 ( 3.659 7.348 4.474) 9.349 2.751 ( -3.075 1.820 -7.449) 8.262 2.860 ( -4.621 -3.570 5.851) 8.267 2.915 ( -3.097 7.622 3.209) 8.831 3.047 ( -3.719 2.665 -0.596) 4.614 3.094 ( 2.843 9.770 2.676) 10.522 3.143 ( -1.389 0.345 5.350) 5.538 3.308 ( 4.063 5.820 10.172) 12.404 3.405 ( 2.900 7.678 0.118) 8.208 3.469 ( 0.834 4.379 2.332) 5.031 3.557 ( -1.706 8.606 -2.430) 9.104 3.615 ( -1.656 0.255 -1.147) 2.031 3.710 ( -5.481 5.058 -1.273) 7.566 3.929 ( 1.920 1.426 1.669) 2.917 3.941 ( 2.444 1.134 4.440) 5.193 4.018 ( 0.739 3.692 -4.937) 6.209 4.061 ( 0.651 -5.199 6.524) 8.368 4.219 ( 2.727 4.331 0.139) 5.120 4.250 ( -1.973 -1.176 0.084) 2.298 4.344 ( -1.876 0.697 -1.391) 2.437 4.504 ( -0.688 5.773 -3.600) 6.838 4.600 ( 1.812 4.911 -0.306) 5.244 4.705 ( 9.702 -2.903 2.896) 10.533 4.768 ( 0.777 5.970 -7.567) 9.669 4.781 ( 4.019 4.372 -3.766) 7.032 4.861 ( 2.862 -0.607 2.979) 4.175 4.922 ( 3.006 0.876 -3.505) 4.700 4.977 ( 1.583 1.531 0.035) 2.203 5.009 ( -1.624 -1.454 -2.662) 3.440 5.079 ( 0.285 -3.911 2.009) 4.406 5.186 ( -4.109 -1.749 1.257) 4.640 5.238 ( 0.738 2.171 -0.619) 2.375 5.328 ( -2.712 2.008 1.696) 3.777 5.402 ( -0.482 -1.408 1.372) 2.024 5.445 ( -1.168 -5.308 3.589) 6.513 5.550 ( -1.608 2.546 4.141) 5.120 5.681 ( -2.436 -8.741 -5.669) 10.699 5.732 ( 0.332 -2.078 2.299) 3.117 5.745 ( 4.983 -2.161 0.590) 5.464 5.921 ( 2.614 -5.987 -1.023) 6.613 5.990 ( -2.417 -3.710 -4.276) 6.155 6.005 ( 0.361 0.841 0.827) 1.233 6.200 ( -1.504 -11.513 -4.329) 12.392 6.354 ( 0.281 -3.322 5.339) 6.295 6.575 ( -2.922 -2.553 1.112) 4.037 6.669 ( 1.392 -6.157 -2.069) 6.643 6.721 ( -0.593 -1.575 3.269) 3.677 6.806 ( 2.100 -5.367 1.796) 6.036 6.939 ( -5.464 4.066 -1.300) 6.933 6.989 ( -2.961 -7.152 0.121) 7.741 7.100 ( -3.788 1.442 1.250) 4.241 7.141 ( -6.717 -2.430 2.574) 7.593 7.292 ( 5.287 1.723 -6.324) 8.421 7.371 ( 0.401 -1.131 -5.760) 5.884 7.494 ( 2.024 -1.072 0.326) 2.314 7.649 ( 0.128 -1.057 4.301) 4.431 7.756 ( 3.943 -4.043 -2.836) 6.320 7.930 ( 0.469 -3.166 -4.108) 5.208 8.109 ( 3.205 0.875 -5.577) 6.492 8.161 ( -1.366 5.786 -0.928) 6.017 8.278 ( 0.629 -1.051 -1.329) 1.807 8.384 ( 0.710 2.276 -0.002) 2.384 8.474 ( -3.334 2.670 2.229) 4.817 8.671 ( 1.266 -2.104 4.925) 5.503 8.706 ( -5.928 0.159 5.078) 7.807 8.794 ( 0.811 -2.393 0.851) 2.666 8.937 ( -3.933 0.785 6.262) 7.436 9.035 ( 2.354 3.045 3.759) 5.380 9.117 ( 2.256 2.881 0.131) 3.662 9.209 ( -0.183 3.068 -1.760) 3.542 9.480 ( 2.327 8.907 -4.198) 10.118 9.667 ( 4.179 5.837 -3.067) 7.806 12.434 ( -1.209 7.191 1.481) 7.441 12.585 ( -1.134 10.237 -3.355) 10.832 12.908 ( -0.382 -9.097 0.762) 9.137 13.141 ( 4.865 -8.257 -4.004) 10.387 13.610 ( -0.550 -0.059 -1.621) 1.712 13.765 ( -4.483 -3.388 1.660) 5.860 13.982 ( -2.860 2.569 3.708) 5.341 14.057 ( 0.406 5.629 8.811) 10.463 14.206 ( 0.143 -2.255 6.344) 6.734 14.396 ( -5.357 -11.356 -6.409) 14.097 15.184 ( 9.924 24.420 -8.992) 27.851 15.443 ( 7.621 18.407 -6.576) 20.980 15.910 ( -1.180 -0.602 -0.528) 1.426 15.969 ( -1.645 -0.282 -3.072) 3.497 16.044 ( -2.223 -0.125 3.414) 4.076 16.060 ( -1.452 -1.297 3.191) 3.738 16.231 ( -0.471 -0.268 -0.365) 0.654 16.287 ( -1.114 -0.061 -0.463) 1.208 16.496 ( 4.629 1.503 5.421) 7.285 16.523 ( 3.783 0.697 2.662) 4.678 17.424 ( -12.226 -13.285 2.859) 18.280 17.742 ( -6.538 -17.917 1.907) 19.168 17.877 ( 0.815 -1.605 -0.149) 1.807 17.902 ( 3.066 0.958 -0.805) 3.312 18.066 ( -2.153 -3.562 -1.683) 4.490 18.196 ( -3.145 -9.406 1.646) 10.054 18.667 ( 8.744 4.225 -0.622) 9.731 18.799 ( 0.945 0.010 -5.064) 5.151 ======================= Grid point 84 (42/80) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 16.756 -9.789 -12.284) 22.967 1.851 ( 1.318 10.201 -14.097) 17.450 1.950 ( 3.733 2.199 5.975) 7.381 2.051 ( -0.261 0.249 4.727) 4.741 2.226 ( 1.118 -4.304 7.812) 8.989 2.323 ( 3.951 5.488 2.888) 7.354 2.357 ( -1.929 5.614 2.417) 6.410 2.500 ( -0.110 -1.554 2.916) 3.306 2.608 ( -0.803 1.230 -9.660) 9.772 2.782 ( -4.279 13.699 2.291) 14.534 2.791 ( 4.559 0.881 2.735) 5.390 2.919 ( -3.351 2.641 0.276) 4.275 2.978 ( 0.488 2.664 0.828) 2.832 3.078 ( -9.157 4.382 2.255) 10.399 3.210 ( 1.452 6.738 4.271) 8.108 3.329 ( -4.705 8.206 1.283) 9.546 3.435 ( -0.663 2.177 -7.227) 7.577 3.446 ( -0.374 4.849 -9.623) 10.782 3.504 ( -4.081 -0.156 5.194) 6.607 3.565 ( -2.193 8.835 1.033) 9.161 3.597 ( 0.197 4.364 0.470) 4.393 3.932 ( -1.591 -2.934 -1.398) 3.619 3.977 ( -0.720 0.933 0.619) 1.331 4.050 ( -0.002 4.413 5.384) 6.961 4.190 ( 1.129 0.299 7.255) 7.348 4.219 ( 3.114 6.015 1.063) 6.856 4.274 ( -0.418 -2.807 2.011) 3.478 4.362 ( 1.899 6.862 1.665) 7.313 4.425 ( 0.561 2.851 -4.655) 5.488 4.614 ( -1.249 2.203 -1.521) 2.954 4.670 ( -1.263 7.089 -6.396) 9.632 4.814 ( 2.413 1.500 -4.082) 4.974 4.850 ( 2.194 2.472 -1.788) 3.758 4.871 ( 5.278 -3.214 -3.240) 6.978 4.967 ( -4.437 -2.128 0.039) 4.921 4.975 ( -3.654 0.163 -1.005) 3.793 5.040 ( 1.634 -1.540 1.584) 2.748 5.054 ( 4.629 0.423 -2.590) 5.321 5.122 ( -2.472 -2.248 1.052) 3.503 5.256 ( 2.949 2.400 -1.655) 4.146 5.329 ( -3.873 -2.175 6.506) 7.877 5.439 ( -4.518 -0.229 1.100) 4.656 5.469 ( 5.742 0.112 4.448) 7.264 5.531 ( -4.472 -1.282 3.526) 5.837 5.607 ( 2.076 0.348 0.280) 2.123 5.717 ( 0.086 -2.180 -4.207) 4.740 5.837 ( -1.508 -9.263 3.923) 10.172 5.908 ( -0.276 -3.400 -1.511) 3.731 5.952 ( 1.628 -8.633 -1.466) 8.906 6.080 ( 4.219 8.786 -2.067) 9.963 6.204 ( 4.964 -11.542 0.737) 12.586 6.358 ( -6.382 -1.854 6.802) 9.510 6.565 ( 1.900 -6.199 2.263) 6.867 6.662 ( 0.392 -4.461 -1.233) 4.645 6.755 ( -5.697 0.732 -2.602) 6.306 6.802 ( 1.630 -1.639 1.148) 2.581 6.891 ( 4.533 -1.884 -0.529) 4.938 6.953 ( -5.492 -6.630 -1.123) 8.683 7.025 ( 1.474 -0.237 1.814) 2.349 7.108 ( -1.915 -0.739 3.173) 3.779 7.304 ( -1.454 0.585 -3.490) 3.825 7.329 ( 4.839 3.135 -7.295) 9.298 7.544 ( 3.065 -3.920 -1.650) 5.242 7.607 ( -2.895 0.073 -1.609) 3.313 7.802 ( -0.145 -10.062 0.588) 10.080 7.936 ( 4.951 -1.626 -5.274) 7.414 7.998 ( -3.166 0.315 -7.771) 8.397 8.197 ( 0.739 -1.793 -4.883) 5.254 8.286 ( 0.434 2.163 2.526) 3.354 8.357 ( -2.170 3.548 3.902) 5.703 8.508 ( 1.314 0.521 6.254) 6.412 8.647 ( -1.580 2.646 0.372) 3.104 8.729 ( -0.738 -3.126 2.338) 3.973 8.827 ( 1.492 -2.979 2.146) 3.963 8.912 ( -4.541 3.951 5.999) 8.498 9.071 ( -1.674 0.736 1.390) 2.297 9.156 ( -0.881 4.856 1.248) 5.090 9.214 ( 1.089 3.336 2.107) 4.094 9.483 ( 2.594 10.762 -3.858) 11.723 9.671 ( 0.453 6.401 -5.171) 8.241 12.427 ( -0.860 7.408 1.007) 7.525 12.560 ( 1.643 10.428 -2.581) 10.867 12.917 ( -0.121 -9.767 1.716) 9.917 13.157 ( 1.891 -8.922 -5.191) 10.494 13.637 ( 2.788 -1.093 1.184) 3.220 13.749 ( 0.902 -3.581 2.887) 4.688 13.925 ( -4.844 0.898 -1.620) 5.186 14.001 ( -7.949 -2.754 -0.020) 8.412 14.202 ( -0.380 4.517 6.957) 8.304 14.541 ( 7.548 -6.604 12.917) 16.353 15.200 ( 3.115 25.801 -12.944) 29.034 15.464 ( 2.869 20.790 -9.844) 23.181 15.927 ( 1.289 -0.869 2.228) 2.717 15.952 ( 1.961 -0.846 -0.018) 2.136 16.047 ( -2.187 0.227 5.245) 5.687 16.093 ( 1.748 -1.621 4.134) 4.771 16.187 ( -2.757 0.063 -2.951) 4.039 16.250 ( -2.635 -0.042 -2.442) 3.593 16.412 ( -7.893 -3.577 -8.038) 11.819 16.492 ( -3.859 -2.504 -5.465) 7.143 17.441 ( 3.457 -11.419 13.745) 18.200 17.751 ( 1.656 -13.758 6.282) 15.214 17.927 ( 0.823 -0.816 -0.814) 1.416 17.970 ( 3.127 -4.820 6.274) 8.508 18.019 ( 0.527 -2.568 -1.093) 2.840 18.194 ( 0.034 -8.088 4.284) 9.153 18.684 ( -4.970 3.370 -8.546) 10.445 18.756 ( 3.510 1.020 -6.262) 7.251 ======================= Grid point 85 (43/80) ======================= q-point: (-0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 2.190 21.193 -17.023) 27.271 1.841 ( 12.452 -7.264 -8.336) 16.653 1.986 ( 3.846 -0.422 -2.183) 4.442 2.170 ( 1.387 -1.585 6.070) 6.425 2.278 ( -8.787 9.572 3.640) 13.494 2.388 ( -0.388 3.609 -0.486) 3.663 2.488 ( 4.570 3.853 -3.214) 6.786 2.505 ( 3.011 3.170 -5.207) 6.799 2.644 ( 8.689 2.288 5.999) 10.804 2.690 ( -1.819 6.747 -1.467) 7.140 2.818 ( 7.267 6.070 7.705) 12.208 2.914 ( -2.566 0.816 -1.088) 2.904 2.972 ( -3.423 1.455 12.675) 13.210 3.096 ( 4.330 1.518 3.207) 5.598 3.213 ( -1.146 7.417 -3.233) 8.172 3.231 ( -3.277 2.062 -6.173) 7.287 3.341 ( 0.565 7.762 -0.303) 7.788 3.399 ( -0.698 1.535 0.829) 1.879 3.434 ( 0.497 0.517 -3.935) 4.000 3.587 ( -1.411 7.826 6.028) 9.979 3.713 ( 3.735 4.110 3.239) 6.429 3.895 ( -0.121 -4.046 -1.038) 4.179 3.995 ( 0.655 -1.180 3.068) 3.352 4.094 ( -2.373 5.369 6.232) 8.561 4.151 ( -4.699 -2.940 -0.834) 5.605 4.208 ( -2.650 6.429 -1.091) 7.039 4.234 ( -1.483 0.736 0.051) 1.657 4.421 ( -0.937 5.073 -1.380) 5.340 4.515 ( 4.823 2.755 -2.868) 6.251 4.536 ( -5.068 -1.112 1.203) 5.326 4.601 ( -3.723 0.692 0.835) 3.878 4.740 ( -3.623 1.940 -3.632) 5.485 4.790 ( 1.822 3.770 -6.596) 7.813 4.878 ( -1.531 -4.211 -1.444) 4.707 4.925 ( -0.938 -0.575 -2.798) 3.007 4.953 ( 2.999 0.840 0.585) 3.169 5.060 ( -2.182 5.841 3.869) 7.338 5.133 ( 1.229 -2.898 1.705) 3.580 5.159 ( 7.111 -0.979 -4.014) 8.224 5.236 ( -4.557 -3.838 0.817) 6.013 5.314 ( 2.796 -1.111 -1.679) 3.445 5.411 ( 1.086 -0.016 1.367) 1.746 5.475 ( -5.796 2.424 6.655) 9.152 5.560 ( 0.361 1.503 -0.555) 1.642 5.683 ( 1.443 -1.481 2.195) 3.015 5.763 ( 2.147 -1.799 1.693) 3.273 5.793 ( -4.809 -3.450 -2.474) 6.415 5.899 ( 6.001 -8.420 -2.158) 10.562 5.945 ( -3.045 -2.551 2.885) 4.909 6.098 ( 1.008 1.989 -2.534) 3.375 6.272 ( -5.479 -5.874 1.341) 8.144 6.333 ( 4.199 -7.365 3.370) 9.124 6.616 ( -2.783 -2.715 -2.002) 4.374 6.676 ( -0.165 -0.655 0.394) 0.782 6.696 ( 2.020 -1.792 4.084) 4.896 6.781 ( 0.793 -8.495 -0.569) 8.550 6.939 ( 4.045 -1.685 0.001) 4.382 6.981 ( 6.486 3.359 -2.920) 7.866 7.049 ( 0.791 0.022 0.904) 1.201 7.176 ( 7.529 -3.320 -3.795) 9.061 7.267 ( -2.650 -0.461 3.824) 4.675 7.323 ( 1.566 2.849 -7.594) 8.260 7.530 ( -1.289 -0.069 0.337) 1.334 7.604 ( 1.657 -6.451 0.661) 6.693 7.742 ( -5.669 -9.189 0.533) 10.810 7.882 ( -3.445 -7.298 -6.435) 10.322 7.947 ( 0.255 0.710 -3.288) 3.374 8.081 ( -2.307 -1.818 -9.541) 9.982 8.334 ( 0.555 6.093 4.694) 7.711 8.379 ( -0.498 3.747 2.210) 4.379 8.591 ( 1.054 2.029 0.863) 2.444 8.680 ( 3.345 0.928 2.505) 4.281 8.717 ( 0.566 -0.120 1.104) 1.247 8.869 ( -2.623 2.531 4.527) 5.812 8.942 ( 3.194 1.869 6.532) 7.508 9.050 ( -1.888 -0.091 2.948) 3.502 9.092 ( -7.407 6.110 3.747) 10.307 9.260 ( 2.296 0.219 -0.319) 2.329 9.482 ( 0.244 7.913 -3.683) 8.732 9.583 ( -3.297 6.521 -6.990) 10.112 12.424 ( -0.438 7.567 0.942) 7.638 12.595 ( 4.750 8.740 -2.689) 10.305 12.929 ( -0.675 -10.399 1.790) 10.573 13.112 ( -1.115 -9.252 -5.241) 10.692 13.678 ( -1.188 1.902 -1.312) 2.598 13.804 ( 3.678 0.349 0.796) 3.779 13.894 ( 5.078 -3.513 5.931) 8.562 13.952 ( 0.281 -0.493 -0.920) 1.081 14.254 ( -5.153 8.270 13.128) 16.350 14.759 ( 1.641 -11.829 11.367) 16.487 15.039 ( -4.397 22.383 -16.424) 28.108 15.296 ( -6.977 18.847 -17.600) 26.714 15.966 ( -1.026 -1.463 4.470) 4.813 16.013 ( -0.980 -1.391 5.211) 5.482 16.051 ( -0.824 0.822 -1.217) 1.684 16.065 ( -5.187 -0.389 -4.941) 7.174 16.146 ( 2.318 -2.459 0.990) 3.521 16.241 ( 7.212 -1.823 5.780) 9.420 16.343 ( 3.776 -1.323 0.206) 4.007 16.393 ( -0.693 -2.264 -3.745) 4.431 17.633 ( 2.745 -5.944 8.530) 10.754 17.849 ( 1.889 -4.972 3.009) 6.111 17.890 ( -0.906 -1.249 -0.604) 1.657 18.010 ( 3.237 -1.633 -5.260) 6.388 18.160 ( 2.113 -10.082 12.772) 16.408 18.285 ( 3.251 -9.474 7.090) 12.272 18.462 ( -7.660 4.746 -10.194) 13.606 18.693 ( -0.724 -1.839 -10.989) 11.165 ======================= Grid point 86 (44/80) ======================= q-point: (-0.17 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -2.542 23.402 -4.689) 24.002 1.777 ( 4.957 23.589 -18.352) 30.295 2.112 ( 3.581 6.077 -9.796) 12.072 2.132 ( 6.650 -1.973 -7.494) 10.212 2.242 ( -0.179 -1.073 3.963) 4.110 2.404 ( 1.964 3.972 1.048) 4.553 2.487 ( 2.542 1.882 1.956) 3.719 2.548 ( -2.433 14.442 8.776) 17.074 2.730 ( 0.528 8.055 8.505) 11.726 2.798 ( -2.402 2.944 -1.898) 4.247 2.917 ( 6.793 -4.322 3.555) 8.801 3.024 ( -1.429 1.981 8.473) 8.818 3.044 ( 0.417 4.956 -7.449) 8.957 3.105 ( -0.585 -2.315 -2.110) 3.187 3.180 ( 9.536 0.009 0.766) 9.567 3.245 ( 0.770 9.681 -2.476) 10.022 3.333 ( 0.476 -2.741 4.674) 5.440 3.480 ( 3.286 -0.528 0.811) 3.426 3.495 ( 3.560 8.460 6.472) 11.231 3.579 ( -1.383 0.422 -0.305) 1.478 3.759 ( -0.061 9.807 4.097) 10.629 3.851 ( -6.390 0.494 -1.258) 6.532 3.960 ( -7.500 -2.039 -1.553) 7.926 4.064 ( 1.140 -0.116 0.157) 1.157 4.141 ( -6.102 1.701 4.083) 7.536 4.161 ( 0.217 -2.547 0.605) 2.627 4.221 ( 0.173 2.302 3.225) 3.966 4.349 ( -5.116 1.466 -3.028) 6.123 4.411 ( -3.367 -0.861 -0.318) 3.489 4.493 ( -2.083 0.928 -2.297) 3.237 4.576 ( 5.500 -1.629 -3.155) 6.547 4.692 ( -2.688 -4.353 -1.516) 5.336 4.803 ( 0.160 1.124 -2.127) 2.411 4.831 ( 0.162 1.222 -1.751) 2.141 4.913 ( 2.044 0.817 -0.666) 2.300 5.022 ( 1.766 2.972 1.513) 3.774 5.089 ( 0.620 4.386 4.106) 6.040 5.123 ( 0.882 -2.116 -0.578) 2.364 5.187 ( -1.652 -1.619 1.826) 2.947 5.245 ( 4.772 -1.404 -5.748) 7.601 5.345 ( 0.931 -1.502 -1.870) 2.573 5.425 ( -2.918 8.584 2.406) 9.381 5.497 ( 3.663 -3.448 4.606) 6.821 5.556 ( -0.699 6.466 -1.218) 6.617 5.614 ( -8.249 -7.079 -2.029) 11.058 5.706 ( -0.891 -4.204 2.261) 4.856 5.759 ( 1.446 -1.464 -3.351) 3.932 5.831 ( -7.281 -0.360 0.327) 7.298 6.075 ( 4.702 -4.749 -4.055) 7.817 6.134 ( 5.181 -3.970 3.999) 7.655 6.204 ( -1.922 -9.788 -0.242) 9.978 6.416 ( 1.437 -7.154 -0.512) 7.315 6.564 ( -3.936 -2.230 0.722) 4.581 6.617 ( 2.754 -6.952 -1.114) 7.560 6.765 ( 3.561 2.262 -0.807) 4.296 6.896 ( 1.623 -3.619 7.009) 8.053 7.019 ( 2.631 -1.448 -2.846) 4.137 7.035 ( 6.713 4.735 -2.334) 8.540 7.145 ( 0.831 -2.033 -0.267) 2.212 7.214 ( 4.612 -2.445 -0.927) 5.301 7.232 ( -2.827 0.318 -5.825) 6.483 7.304 ( 2.317 -2.331 1.167) 3.488 7.530 ( -3.195 -1.578 2.395) 4.293 7.620 ( -1.185 -3.265 2.952) 4.559 7.663 ( -5.945 -4.605 0.478) 7.535 7.787 ( 6.529 -6.151 -1.876) 9.164 7.899 ( -1.971 -3.318 -4.969) 6.292 7.973 ( -2.707 -0.355 -1.067) 2.931 8.341 ( 0.310 6.829 -3.796) 7.820 8.423 ( 0.006 6.558 5.454) 8.530 8.575 ( -0.358 3.372 -3.886) 5.158 8.698 ( -0.028 -0.368 -0.584) 0.691 8.819 ( 3.264 1.544 3.413) 4.969 8.828 ( -8.048 4.836 7.145) 11.798 8.996 ( -3.389 6.264 1.381) 7.255 9.063 ( -5.048 -1.340 11.847) 12.947 9.127 ( 10.474 3.942 1.285) 11.265 9.303 ( 4.132 -3.150 -2.608) 5.813 9.385 ( -5.931 5.275 -5.996) 9.947 9.443 ( -3.427 4.231 -5.435) 7.693 12.429 ( -0.291 7.491 1.373) 7.621 12.676 ( 6.824 5.594 -4.047) 9.708 12.922 ( -1.493 -9.973 0.996) 10.133 13.030 ( -2.432 -6.615 -3.113) 7.705 13.641 ( 1.405 4.955 -3.075) 5.998 13.943 ( 1.053 -0.001 4.134) 4.266 13.959 ( 5.265 1.590 0.565) 5.529 14.070 ( 4.088 -2.895 4.003) 6.413 14.254 ( -8.851 8.815 13.316) 18.258 14.806 ( -3.849 -5.779 -1.488) 7.101 14.815 ( 0.156 12.666 -9.131) 15.615 14.975 ( -7.040 6.947 -10.316) 14.291 15.980 ( -0.664 -0.150 2.601) 2.688 15.995 ( -0.732 0.958 -0.515) 1.311 16.010 ( 0.395 1.662 0.053) 1.710 16.042 ( -1.422 -0.730 2.760) 3.190 16.219 ( 2.381 -0.539 0.196) 2.450 16.311 ( -0.633 -1.682 -1.840) 2.572 16.460 ( 4.942 -0.278 3.309) 5.954 16.500 ( 5.221 -1.412 3.878) 6.655 17.706 ( -0.528 -2.356 3.541) 4.286 17.834 ( -0.934 3.893 -0.513) 4.036 17.939 ( 1.680 -6.417 1.547) 6.812 18.029 ( 5.857 1.050 -5.580) 8.157 18.242 ( -4.784 1.493 -5.202) 7.223 18.262 ( -3.119 -8.696 5.666) 10.837 18.402 ( 0.443 -12.150 6.241) 13.667 18.569 ( 0.866 -3.054 -9.857) 10.356 ======================= Grid point 87 (45/80) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( 4.233 11.591 -2.629) 12.617 2.079 ( -6.910 14.086 0.958) 15.719 2.134 ( 4.861 1.717 -2.915) 5.923 2.237 ( 4.896 1.679 1.276) 5.331 2.419 ( -4.644 -2.542 6.953) 8.739 2.481 ( 6.350 4.734 -4.537) 9.128 2.569 ( 7.220 -0.436 4.059) 8.294 2.697 ( -5.475 3.583 2.034) 6.852 2.727 ( -2.076 -7.162 -2.129) 7.755 2.845 ( -0.268 -8.200 -0.915) 8.255 2.880 ( -5.860 4.203 -2.088) 7.507 2.979 ( -4.307 -3.768 0.064) 5.723 3.041 ( 1.142 10.206 -0.682) 10.293 3.165 ( 1.873 0.532 -1.092) 2.233 3.280 ( 0.802 2.118 6.229) 6.628 3.366 ( 5.017 -4.479 2.857) 7.307 3.453 ( -0.963 3.116 -1.415) 3.555 3.472 ( -4.283 5.884 1.364) 7.405 3.621 ( -3.916 4.391 0.423) 5.899 3.684 ( 0.436 -2.531 5.078) 5.691 3.815 ( 4.987 0.936 -2.235) 5.544 3.832 ( -2.142 1.238 2.726) 3.681 3.847 ( -5.369 7.073 -2.882) 9.336 4.011 ( -0.136 0.141 0.044) 0.201 4.047 ( -0.969 -8.779 -0.735) 8.863 4.172 ( 3.575 -7.652 -0.974) 8.502 4.191 ( -0.720 2.605 -0.078) 2.704 4.297 ( -0.025 -4.098 2.174) 4.639 4.359 ( -3.375 7.942 0.371) 8.637 4.436 ( 1.525 0.348 -0.090) 1.566 4.575 ( 1.729 0.423 -3.556) 3.977 4.621 ( 1.521 -3.058 -3.060) 4.585 4.868 ( 2.302 2.635 0.860) 3.603 4.894 ( 2.722 0.227 2.115) 3.455 5.012 ( 0.378 3.613 0.786) 3.717 5.035 ( -2.080 0.667 -4.579) 5.074 5.101 ( -0.919 2.766 -1.772) 3.411 5.174 ( 2.415 -4.090 3.548) 5.928 5.211 ( -3.068 2.996 2.170) 4.806 5.249 ( -0.424 1.232 -5.077) 5.241 5.324 ( 2.401 -3.175 -3.136) 5.067 5.382 ( -0.368 -5.575 0.616) 5.621 5.501 ( -3.306 6.778 2.317) 7.889 5.570 ( -2.783 3.067 1.162) 4.302 5.649 ( 2.456 0.369 -0.584) 2.551 5.663 ( 0.595 0.372 -4.259) 4.317 5.802 ( 5.392 0.560 -1.986) 5.774 5.812 ( 0.413 8.670 0.231) 8.683 5.907 ( -0.201 -11.359 -1.810) 11.504 5.998 ( -2.866 -3.758 1.592) 4.987 6.086 ( -1.511 -3.548 -1.378) 4.095 6.217 ( -2.064 -10.500 -4.097) 11.459 6.492 ( 0.778 -0.240 0.667) 1.052 6.535 ( 2.649 -4.517 0.636) 5.275 6.798 ( -4.031 1.052 2.528) 4.873 6.857 ( -4.249 -3.904 0.549) 5.796 7.028 ( -2.467 3.733 -2.179) 4.977 7.093 ( -0.790 -1.200 -2.123) 2.564 7.181 ( 0.583 0.112 -0.053) 0.596 7.203 ( 3.024 -1.174 0.907) 3.368 7.282 ( 4.287 1.666 -1.150) 4.741 7.338 ( -1.588 -3.741 -2.478) 4.760 7.387 ( 5.959 7.976 -5.115) 11.193 7.564 ( 0.585 -6.210 -2.051) 6.566 7.675 ( -1.467 -0.272 9.947) 10.058 7.718 ( 0.455 -5.503 6.234) 8.328 7.967 ( 6.439 1.896 4.830) 8.270 7.999 ( 6.082 -0.782 4.493) 7.602 8.425 ( -0.396 5.168 -3.436) 6.218 8.505 ( -0.727 -2.384 -0.762) 2.607 8.592 ( -2.636 6.055 -4.038) 7.740 8.679 ( 0.114 -2.803 -0.846) 2.930 8.818 ( -8.782 6.767 3.108) 11.514 8.912 ( -3.258 -0.904 3.025) 4.537 9.018 ( -6.191 1.684 8.226) 10.432 9.068 ( -0.813 -0.377 2.922) 3.056 9.209 ( -3.457 -0.646 -4.433) 5.658 9.241 ( -4.584 -1.690 -5.114) 7.073 9.413 ( 9.270 4.265 -2.606) 10.532 9.471 ( 8.176 -0.502 -1.406) 8.311 12.579 ( -0.785 7.226 1.864) 7.504 12.731 ( -0.456 -8.100 1.477) 8.246 12.814 ( 2.209 4.215 -3.929) 6.171 12.902 ( 2.017 -4.494 -2.417) 5.487 13.803 ( 4.020 6.777 -2.087) 8.151 13.909 ( -0.630 -2.509 -1.715) 3.104 13.999 ( -3.673 0.691 -4.291) 5.690 14.051 ( -0.412 -3.492 -3.330) 4.843 14.352 ( -13.060 8.178 13.784) 20.675 14.525 ( -12.098 -10.083 11.637) 19.582 15.045 ( 13.334 7.770 -5.833) 16.498 15.098 ( 16.375 2.711 -3.826) 17.034 15.968 ( -1.235 -0.382 3.750) 3.967 15.984 ( -1.420 -1.929 4.180) 4.817 16.088 ( 0.386 5.082 -1.568) 5.332 16.143 ( 0.790 2.447 -1.519) 2.987 16.218 ( 2.943 -1.095 -0.769) 3.232 16.259 ( 3.272 -2.742 -1.158) 4.423 16.465 ( -4.653 0.222 -3.157) 5.628 16.474 ( -5.052 -0.655 -3.543) 6.205 17.709 ( -4.247 2.163 3.791) 6.090 17.806 ( -4.142 -7.255 2.954) 8.861 17.913 ( 0.999 4.643 -1.633) 5.022 18.014 ( 1.308 -5.478 -2.165) 6.034 18.096 ( -8.126 -0.305 2.952) 8.651 18.175 ( -6.955 -7.967 3.686) 11.200 18.361 ( 9.749 8.140 -3.309) 13.124 18.501 ( 9.146 -5.818 -4.326) 11.671 ======================= Grid point 88 (46/80) ======================= q-point: ( 0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -11.787 13.216 -2.962) 17.955 2.086 ( -7.032 -3.859 -2.719) 8.469 2.171 ( -7.958 -2.546 1.616) 8.510 2.209 ( 3.547 4.166 0.802) 5.530 2.376 ( -11.824 8.763 -5.941) 15.871 2.499 ( -5.392 2.452 1.760) 6.180 2.580 ( -12.583 -3.038 -0.329) 12.949 2.653 ( 0.532 -5.262 -5.910) 7.931 2.697 ( 1.323 5.070 -0.096) 5.240 2.791 ( 2.963 -1.857 4.734) 5.885 2.829 ( 0.332 -0.305 2.316) 2.359 2.866 ( -1.851 -2.001 3.300) 4.280 3.059 ( 2.020 6.595 -2.033) 7.191 3.179 ( 4.686 -2.148 -3.320) 6.132 3.369 ( -3.029 11.148 6.320) 13.168 3.384 ( -5.578 7.365 1.244) 9.323 3.433 ( 0.208 2.285 7.605) 7.944 3.504 ( 2.474 -3.605 1.915) 4.774 3.590 ( -0.445 -0.306 6.911) 6.932 3.598 ( 0.954 0.171 -7.803) 7.863 3.798 ( 0.231 0.070 0.433) 0.495 3.848 ( -0.586 3.570 0.584) 3.664 3.958 ( 1.693 -3.422 0.287) 3.829 4.006 ( 5.792 -2.737 1.913) 6.685 4.073 ( 1.155 3.982 -2.228) 4.707 4.196 ( -0.977 -1.895 -0.825) 2.286 4.222 ( 2.267 2.673 0.920) 3.624 4.310 ( 2.359 -4.324 0.632) 4.966 4.449 ( 9.601 3.566 1.015) 10.292 4.528 ( 6.597 0.219 1.128) 6.696 4.607 ( 3.726 -0.992 -1.417) 4.108 4.632 ( 3.285 -5.288 -2.631) 6.759 4.882 ( 0.111 6.388 -3.239) 7.163 4.942 ( 0.800 0.548 -2.101) 2.314 4.975 ( 1.828 3.818 -2.584) 4.959 5.018 ( 0.844 -1.526 -1.556) 2.337 5.047 ( -3.190 5.100 4.121) 7.292 5.155 ( -4.076 3.365 -3.231) 6.195 5.184 ( -0.868 -1.816 0.523) 2.080 5.244 ( -0.983 -6.322 1.685) 6.616 5.329 ( -1.481 0.282 0.204) 1.522 5.413 ( 5.132 -5.391 -1.499) 7.593 5.447 ( -3.265 6.566 1.734) 7.535 5.540 ( -0.509 4.082 -3.724) 5.549 5.581 ( -4.564 -0.849 2.817) 5.430 5.685 ( 1.005 -0.938 -4.671) 4.869 5.767 ( -4.185 -1.838 -2.261) 5.099 5.836 ( -2.055 -2.349 -0.830) 3.230 5.955 ( 1.002 -0.054 2.211) 2.428 5.979 ( 4.558 1.559 1.975) 5.207 6.078 ( -0.690 -7.463 -3.167) 8.137 6.142 ( 3.467 -9.738 -1.140) 10.400 6.551 ( 2.958 0.009 -0.241) 2.968 6.589 ( 1.636 -3.818 -1.502) 4.417 6.719 ( -5.883 -0.147 3.516) 6.855 6.749 ( -6.504 -1.839 1.967) 7.039 6.954 ( -2.907 0.487 -1.468) 3.293 7.017 ( -3.622 -4.478 -2.346) 6.219 7.172 ( -0.080 4.122 -0.241) 4.130 7.250 ( -1.025 -2.341 -0.477) 2.599 7.329 ( 1.963 2.088 -5.887) 6.548 7.350 ( 4.570 0.110 -2.729) 5.324 7.447 ( 3.892 2.411 0.338) 4.591 7.522 ( -2.265 -2.579 2.839) 4.454 7.731 ( -1.740 1.022 7.807) 8.064 7.806 ( 1.566 -6.885 2.000) 7.338 8.120 ( 4.591 3.672 2.131) 6.254 8.176 ( 6.124 -1.208 3.103) 6.971 8.398 ( -0.262 4.886 -2.518) 5.503 8.456 ( -4.843 3.407 -2.609) 6.471 8.526 ( 0.783 -0.367 3.147) 3.264 8.614 ( -4.305 -3.671 -2.776) 6.302 8.739 ( -4.255 4.006 3.767) 6.952 8.827 ( -6.713 -2.948 1.963) 7.590 8.967 ( -3.135 4.109 2.961) 5.956 9.041 ( -2.768 -1.516 0.070) 3.157 9.135 ( 0.708 3.005 0.704) 3.167 9.203 ( 1.775 -3.068 -1.079) 3.705 9.560 ( 8.194 5.313 -3.427) 10.350 9.625 ( 8.272 -0.622 -2.232) 8.591 12.581 ( -0.929 7.274 1.749) 7.539 12.736 ( -0.661 -8.361 1.390) 8.501 12.802 ( 0.807 6.655 -3.788) 7.700 12.931 ( 3.472 -6.390 -2.775) 7.783 13.747 ( -6.443 3.055 -3.419) 7.908 13.810 ( -6.647 -3.059 -2.166) 7.631 13.968 ( 5.524 6.232 1.041) 8.393 14.090 ( 5.391 -4.394 0.844) 7.006 14.220 ( -12.213 6.167 8.689) 16.208 14.364 ( -13.516 -9.762 5.234) 17.475 15.353 ( 20.851 12.579 -5.592) 24.985 15.460 ( 22.335 2.652 -5.072) 23.057 15.977 ( -1.588 1.428 1.953) 2.894 15.998 ( -1.354 -1.025 3.740) 4.107 16.044 ( -3.103 -0.182 -2.627) 4.069 16.074 ( -5.001 -1.931 -2.749) 6.024 16.286 ( -3.051 2.167 -1.917) 4.205 16.324 ( 0.396 3.015 2.130) 3.713 16.334 ( 1.784 -1.427 1.796) 2.906 16.386 ( 4.120 -1.988 2.790) 5.358 17.564 ( -15.709 -0.835 2.408) 15.914 17.652 ( -14.834 -9.717 1.449) 17.792 17.919 ( 1.273 4.097 -1.265) 4.473 17.956 ( -4.227 2.545 -1.040) 5.042 18.013 ( -0.158 -4.472 -1.334) 4.670 18.073 ( -4.745 -8.103 1.001) 9.443 18.573 ( 12.056 5.814 -0.651) 13.400 18.674 ( 10.250 -4.334 -2.141) 11.333 ======================= Grid point 89 (47/80) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -8.252 11.502 -0.770) 14.177 1.897 ( -10.349 -10.629 0.461) 14.842 2.037 ( -6.831 -1.275 3.241) 7.667 2.109 ( -6.072 8.028 -0.677) 10.088 2.140 ( -8.472 -6.392 -2.302) 10.860 2.271 ( -8.939 -5.457 1.498) 10.579 2.542 ( 4.769 8.586 2.022) 10.028 2.591 ( -2.927 1.751 -2.140) 4.026 2.739 ( -2.029 1.488 -1.642) 3.004 2.759 ( -4.714 -1.288 -4.032) 6.336 2.855 ( 2.912 2.356 0.734) 3.818 2.924 ( 3.279 -3.851 1.212) 5.201 3.137 ( 2.710 7.057 4.093) 8.597 3.211 ( 0.899 3.554 -6.298) 7.287 3.317 ( -2.747 8.972 2.082) 9.611 3.374 ( -1.393 0.950 2.110) 2.700 3.465 ( 0.325 -1.956 2.761) 3.400 3.495 ( -2.221 -4.492 -0.694) 5.059 3.599 ( 2.047 5.639 -2.134) 6.367 3.710 ( 2.425 -3.142 0.394) 3.989 3.806 ( 1.231 8.552 -1.102) 8.710 3.937 ( 0.261 -4.092 1.326) 4.309 3.964 ( 0.072 4.326 13.586) 14.258 4.037 ( -1.607 8.279 -0.698) 8.462 4.129 ( 3.362 -3.748 1.118) 5.157 4.179 ( 2.591 -1.744 -3.676) 4.824 4.272 ( 1.707 0.542 -0.738) 1.937 4.327 ( 1.460 -2.175 2.797) 3.832 4.600 ( 0.362 3.053 -2.997) 4.293 4.624 ( 4.549 0.384 -1.301) 4.747 4.697 ( 6.366 0.912 2.024) 6.742 4.718 ( 6.786 -3.465 -2.759) 8.104 4.872 ( 1.942 2.905 -4.735) 5.885 4.903 ( -0.346 -1.946 -1.601) 2.544 4.980 ( -0.654 5.274 -1.252) 5.460 5.031 ( -0.429 -0.226 -0.262) 0.552 5.050 ( -2.739 3.311 -0.859) 4.382 5.062 ( 4.196 5.659 -3.708) 7.962 5.128 ( -4.643 -2.135 1.306) 5.275 5.229 ( -0.723 -9.029 0.127) 9.058 5.350 ( 0.241 7.501 1.832) 7.726 5.398 ( -2.045 1.626 1.710) 3.123 5.416 ( -1.380 0.489 3.106) 3.434 5.510 ( -3.676 -6.524 -3.521) 8.275 5.606 ( 4.259 -4.010 1.878) 6.144 5.646 ( 0.696 -1.877 0.398) 2.041 5.741 ( 2.171 0.785 0.153) 2.314 5.804 ( -1.104 -2.038 2.797) 3.633 5.919 ( -3.296 -1.534 -1.351) 3.878 5.981 ( -2.865 -6.616 -5.194) 8.886 6.136 ( 7.165 5.971 0.098) 9.327 6.262 ( 5.034 -5.712 1.712) 7.804 6.523 ( -3.885 -2.011 -1.400) 4.593 6.541 ( -0.565 -4.477 -3.205) 5.535 6.716 ( 0.347 1.064 5.383) 5.498 6.748 ( 1.413 -1.618 5.362) 5.776 6.896 ( -3.385 -1.240 1.084) 3.764 6.938 ( -4.996 -3.678 0.427) 6.218 7.119 ( -4.779 1.792 -2.993) 5.917 7.151 ( -4.828 1.015 -0.931) 5.021 7.321 ( 3.758 2.844 -5.714) 7.407 7.408 ( 3.254 1.051 -3.340) 4.781 7.509 ( 2.574 0.608 -1.378) 2.982 7.548 ( -0.024 -5.238 4.633) 6.993 7.732 ( -1.670 1.831 -1.023) 2.681 7.813 ( 2.085 -5.970 -4.507) 7.765 8.180 ( 1.755 4.020 -3.423) 5.565 8.239 ( -1.000 -1.437 -4.241) 4.588 8.305 ( -1.720 5.653 0.222) 5.913 8.390 ( -3.231 -2.185 0.528) 3.936 8.530 ( -4.998 3.130 7.041) 9.184 8.603 ( -1.348 -3.860 7.807) 8.813 8.707 ( -1.272 0.900 0.277) 1.583 8.749 ( -1.202 -2.475 -0.243) 2.762 8.982 ( -1.013 3.110 5.054) 6.020 9.037 ( 0.529 -1.888 2.534) 3.204 9.191 ( 3.065 3.467 1.107) 4.759 9.234 ( 1.326 -0.601 0.514) 1.544 9.642 ( 4.993 6.619 -4.784) 9.573 9.719 ( 5.065 -0.754 -4.233) 6.644 12.578 ( -0.983 7.394 1.418) 7.593 12.734 ( -0.798 -8.313 1.223) 8.440 12.779 ( 0.913 9.427 -3.834) 10.218 12.965 ( 3.286 -9.180 -4.112) 10.582 13.631 ( -2.633 2.152 -0.914) 3.521 13.690 ( -4.032 -3.617 0.045) 5.417 14.043 ( -5.473 3.848 1.382) 6.832 14.137 ( -12.653 -4.542 1.726) 13.554 14.164 ( 3.425 3.964 7.525) 9.169 14.240 ( 4.801 -4.257 8.494) 10.645 15.609 ( 14.475 16.480 -11.833) 24.923 15.728 ( 13.938 7.146 -11.529) 19.448 15.901 ( -3.305 -0.094 -0.496) 3.344 15.945 ( -2.635 -2.555 -2.345) 4.356 16.023 ( 0.666 -0.975 1.030) 1.566 16.032 ( 1.026 -1.349 0.455) 1.755 16.239 ( -0.201 1.452 -1.692) 2.239 16.276 ( -0.177 -1.397 -2.229) 2.637 16.524 ( 3.187 1.033 3.679) 4.976 16.532 ( 3.238 0.111 2.255) 3.947 17.240 ( -18.587 -2.630 9.836) 21.192 17.373 ( -14.454 -15.017 8.848) 22.643 17.915 ( -0.295 3.825 1.089) 3.988 17.939 ( 1.614 2.348 -1.325) 3.143 17.996 ( -0.180 -3.262 -1.808) 3.734 18.031 ( -1.675 -6.871 2.419) 7.475 18.740 ( 7.222 2.983 -3.693) 8.643 18.785 ( 4.620 -1.467 -5.183) 7.097 ======================= Grid point 90 (48/80) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 4.242 5.215 0.890) 6.781 1.787 ( -4.748 -14.689 7.926) 17.354 2.014 ( 2.000 3.572 0.322) 4.106 2.054 ( 0.963 -0.707 1.372) 1.819 2.168 ( 5.665 3.714 10.434) 12.440 2.270 ( 2.698 -4.249 8.043) 9.488 2.509 ( -1.910 3.940 -0.922) 4.475 2.617 ( -1.408 -3.280 -4.683) 5.888 2.642 ( 3.431 8.825 -3.287) 10.023 2.703 ( 0.123 -2.003 -2.629) 3.308 2.925 ( 2.534 3.187 3.437) 5.328 2.994 ( 1.723 -2.585 3.790) 4.900 3.099 ( -3.894 11.946 -5.574) 13.746 3.199 ( -1.476 7.618 -0.207) 7.763 3.299 ( -2.501 -6.061 -5.041) 8.270 3.338 ( 0.328 1.113 0.212) 1.180 3.442 ( -2.832 -3.712 -3.820) 6.033 3.484 ( -3.755 -2.558 -0.155) 4.546 3.549 ( 0.968 8.513 -7.487) 11.378 3.670 ( 1.237 -0.722 -5.037) 5.237 3.780 ( -2.111 9.864 0.961) 10.133 3.883 ( -4.453 -1.288 1.414) 4.847 3.954 ( -6.695 1.625 4.651) 8.312 4.086 ( -0.947 -6.410 0.309) 6.487 4.200 ( -0.303 2.320 4.988) 5.509 4.262 ( 4.752 2.194 6.385) 8.256 4.339 ( 1.913 5.276 4.565) 7.234 4.434 ( 3.551 -1.833 4.514) 6.029 4.538 ( 0.407 7.304 -5.422) 9.106 4.627 ( -0.611 -0.905 -2.266) 2.516 4.756 ( 0.665 1.055 -5.212) 5.359 4.786 ( 3.594 -0.799 -4.771) 6.026 4.829 ( -2.654 -1.498 -1.189) 3.272 4.870 ( -1.544 -4.009 -4.703) 6.370 4.927 ( -0.458 3.426 -4.184) 5.427 4.998 ( -1.439 1.567 -0.430) 2.170 5.040 ( -1.468 -2.796 -1.079) 3.338 5.064 ( 2.071 1.098 -0.163) 2.349 5.151 ( 4.514 5.509 1.356) 7.250 5.257 ( 3.684 -3.143 -1.633) 5.110 5.336 ( -5.894 3.414 5.767) 8.925 5.415 ( -3.092 -3.374 1.738) 4.895 5.432 ( 1.146 -0.661 4.318) 4.516 5.478 ( 2.935 -4.549 0.664) 5.454 5.662 ( 1.997 2.941 2.573) 4.388 5.675 ( 0.160 -2.035 2.082) 2.916 5.758 ( -1.522 3.624 -4.215) 5.764 5.826 ( 0.190 -2.043 1.671) 2.646 5.858 ( -0.181 -2.536 -0.284) 2.558 5.968 ( 4.270 -10.936 1.651) 11.856 6.231 ( 3.146 5.594 -1.712) 6.642 6.313 ( -3.317 -2.962 2.358) 5.033 6.496 ( 1.756 -0.361 2.680) 3.224 6.548 ( 3.306 -5.298 0.834) 6.300 6.759 ( -5.794 1.544 1.627) 6.213 6.797 ( -5.140 -0.623 -1.848) 5.497 6.852 ( 1.044 -2.354 4.455) 5.145 6.857 ( 3.024 -2.190 0.314) 3.747 7.045 ( 2.978 2.726 -2.496) 4.746 7.104 ( 0.383 -1.409 -2.006) 2.481 7.325 ( 1.218 1.476 -4.548) 4.935 7.371 ( -2.115 -0.626 -3.068) 3.779 7.528 ( 0.689 1.461 -1.038) 1.920 7.574 ( -2.021 -4.706 3.341) 6.115 7.682 ( -0.616 3.008 -4.247) 5.240 7.812 ( 1.878 -7.839 -6.118) 10.120 8.076 ( -2.121 4.370 -8.813) 10.063 8.150 ( -1.556 -3.032 -8.194) 8.874 8.349 ( 1.635 3.545 5.121) 6.440 8.396 ( 0.686 -0.406 4.009) 4.087 8.540 ( -1.809 3.574 8.860) 9.723 8.637 ( -1.922 -5.108 7.031) 8.900 8.702 ( 0.945 2.531 -0.787) 2.814 8.762 ( 1.497 -3.295 1.091) 3.780 8.996 ( -1.995 3.943 3.582) 5.688 9.056 ( -0.826 -1.926 0.981) 2.314 9.236 ( -1.183 2.725 2.259) 3.732 9.257 ( -0.571 0.640 3.115) 3.231 9.661 ( 2.198 6.647 -5.164) 8.699 9.733 ( 1.409 -0.302 -5.587) 5.770 12.574 ( -0.762 7.574 1.251) 7.714 12.734 ( -0.578 -8.556 1.442) 8.696 12.763 ( 1.540 10.067 -4.060) 10.964 12.964 ( 1.604 -10.102 -5.267) 11.505 13.638 ( 2.306 1.126 2.157) 3.352 13.680 ( 1.909 -3.018 2.750) 4.507 13.930 ( -5.855 0.335 -3.637) 6.901 13.952 ( -3.670 -1.794 -2.415) 4.746 14.323 ( -0.347 6.172 14.772) 16.014 14.432 ( 1.444 -4.980 16.140) 16.952 15.670 ( 6.308 19.362 -16.671) 26.317 15.800 ( 7.379 9.971 -12.882) 17.883 15.913 ( 3.113 -1.745 1.810) 4.001 15.925 ( 0.825 -1.519 0.426) 1.780 16.050 ( 1.208 -0.049 -2.771) 3.023 16.055 ( 2.160 -1.494 -0.460) 2.666 16.195 ( -3.901 1.331 -2.712) 4.934 16.266 ( 1.442 -1.190 -1.748) 2.559 16.309 ( -16.930 -2.493 -9.557) 19.601 16.403 ( -6.372 -6.356 -8.652) 12.484 17.303 ( 2.838 -0.759 23.300) 23.484 17.435 ( 2.236 -13.360 19.917) 24.087 17.935 ( 0.756 1.506 -1.170) 2.052 17.959 ( 0.818 0.560 0.944) 1.368 17.982 ( 0.687 -0.390 0.881) 1.183 18.053 ( -0.127 -5.853 5.436) 7.989 18.738 ( -1.404 2.017 -9.486) 9.799 18.763 ( 1.473 -0.404 -8.735) 8.867 ======================= Grid point 91 (49/80) ======================= q-point: (-0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 12.231 0.118 0.808) 12.259 1.859 ( 3.222 -10.272 7.507) 13.125 2.064 ( 5.431 12.835 -7.949) 16.044 2.155 ( 4.691 1.269 4.713) 6.770 2.338 ( 3.376 1.628 5.223) 6.429 2.466 ( 5.957 -6.999 -5.281) 10.600 2.550 ( 0.831 6.895 5.559) 8.895 2.598 ( 3.939 0.450 5.166) 6.512 2.664 ( 3.986 4.691 -2.390) 6.604 2.754 ( 5.505 -5.928 1.878) 8.305 2.886 ( -5.399 13.921 -12.850) 19.699 3.025 ( -0.147 2.211 8.198) 8.492 3.048 ( -1.753 2.279 7.593) 8.119 3.110 ( -2.768 3.248 -4.120) 5.932 3.195 ( -3.356 -4.947 -6.119) 8.554 3.268 ( 1.294 -3.913 -4.712) 6.260 3.366 ( -3.250 -1.449 -2.342) 4.260 3.421 ( 1.148 -2.306 1.496) 2.979 3.542 ( 2.868 11.653 -3.891) 12.615 3.744 ( -4.053 3.371 1.516) 5.485 3.760 ( 7.012 -1.717 -0.156) 7.221 3.859 ( 0.860 5.093 2.339) 5.670 3.906 ( -3.828 -4.066 7.030) 8.977 4.020 ( -4.082 -8.139 -1.751) 9.273 4.223 ( -2.096 5.450 4.234) 7.212 4.275 ( -5.679 0.944 0.230) 5.762 4.387 ( -2.166 7.872 4.970) 9.559 4.466 ( -3.509 -1.820 0.607) 3.999 4.533 ( -2.880 4.736 -0.853) 5.608 4.590 ( -4.616 -0.964 -0.584) 4.751 4.640 ( -1.933 4.286 -3.657) 5.957 4.724 ( -2.512 -3.614 -4.647) 6.401 4.806 ( 1.265 -1.858 -2.135) 3.101 4.828 ( 2.630 -1.611 -6.218) 6.941 4.943 ( 3.939 2.403 -2.588) 5.291 4.960 ( 0.942 1.925 0.250) 2.157 5.051 ( 0.945 -2.506 0.175) 2.684 5.089 ( 0.994 -3.947 -1.224) 4.251 5.221 ( -3.032 5.618 1.534) 6.566 5.242 ( -1.143 3.354 -1.287) 3.770 5.318 ( 3.983 0.209 0.699) 4.049 5.365 ( -1.470 -5.376 4.179) 6.966 5.514 ( 2.991 3.982 2.375) 5.517 5.575 ( 0.690 -1.741 1.368) 2.319 5.675 ( -2.831 -0.096 -1.101) 3.039 5.702 ( 2.866 0.079 1.247) 3.127 5.760 ( 3.550 -3.126 1.615) 4.998 5.832 ( 0.030 -2.674 -1.341) 2.992 5.884 ( 1.007 2.617 3.257) 4.297 6.041 ( 1.333 -7.968 -1.788) 8.274 6.186 ( -8.901 0.010 0.447) 8.912 6.225 ( -1.982 -3.402 0.560) 3.977 6.602 ( -2.625 0.420 -3.640) 4.507 6.623 ( 1.705 -2.306 1.142) 3.087 6.665 ( 0.481 -0.350 2.808) 2.871 6.704 ( 3.467 -2.171 3.718) 5.528 6.913 ( 3.812 1.183 0.641) 4.042 6.979 ( 5.676 -3.794 -0.653) 6.858 7.117 ( 2.614 4.590 0.068) 5.283 7.157 ( 7.777 0.636 0.507) 7.820 7.270 ( -2.981 1.420 -0.796) 3.397 7.345 ( 4.011 -3.333 -7.582) 9.202 7.511 ( -2.672 0.790 0.829) 2.907 7.548 ( -2.096 0.237 0.097) 2.111 7.608 ( -3.841 -2.183 0.710) 4.475 7.712 ( -5.144 -8.747 -6.382) 11.987 7.986 ( -0.282 2.593 -7.026) 7.495 8.038 ( -1.189 -2.494 -8.833) 9.255 8.441 ( 2.134 3.363 5.110) 6.479 8.448 ( 1.116 2.680 1.962) 3.504 8.610 ( 1.396 1.213 3.487) 3.947 8.665 ( 0.783 -3.067 -0.637) 3.228 8.748 ( 1.669 4.133 6.941) 8.249 8.845 ( 3.210 -4.605 6.972) 8.952 9.000 ( -0.914 3.842 3.513) 5.285 9.050 ( 1.170 -0.794 -0.286) 1.442 9.194 ( -6.012 4.051 4.008) 8.284 9.251 ( -3.037 -1.562 2.416) 4.183 9.613 ( -1.801 4.786 -6.112) 7.969 9.656 ( -2.935 0.670 -7.201) 7.805 12.574 ( -0.647 7.685 1.335) 7.827 12.734 ( -0.788 -7.277 0.964) 7.382 12.766 ( 2.798 6.770 -3.320) 8.042 12.932 ( 0.669 -8.746 -4.810) 10.004 13.736 ( 4.247 3.624 0.879) 5.652 13.809 ( 8.096 -2.898 2.112) 8.854 13.841 ( 0.615 1.518 0.663) 1.767 13.905 ( 1.442 -3.658 -3.152) 5.040 14.420 ( -6.551 7.904 17.877) 20.615 14.570 ( -5.064 -7.731 17.916) 20.159 15.435 ( -8.652 15.712 -24.016) 29.975 15.565 ( -10.997 4.918 -27.406) 29.937 15.947 ( -1.729 -0.022 3.967) 4.327 15.974 ( -3.791 -2.353 4.199) 6.127 16.048 ( 5.342 0.679 3.405) 6.372 16.070 ( 0.351 -0.051 -0.493) 0.607 16.123 ( 3.123 0.918 -3.315) 4.646 16.192 ( 5.482 -3.863 0.407) 6.719 16.316 ( 5.315 -0.927 1.171) 5.521 16.331 ( 3.053 -2.785 -1.531) 4.407 17.569 ( 3.675 0.453 13.669) 14.161 17.668 ( 3.728 -8.966 11.772) 15.260 17.916 ( 0.205 2.090 -2.772) 3.478 17.964 ( 2.192 -2.612 -3.781) 5.091 18.071 ( 0.362 0.092 10.992) 10.999 18.131 ( 0.450 -5.649 9.138) 10.753 18.562 ( -4.941 4.794 -12.528) 14.295 18.643 ( -2.333 -3.271 -12.487) 13.118 ======================= Grid point 92 (50/80) ======================= q-point: (-0.17 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 7.060 4.839 -1.516) 8.693 2.017 ( 8.530 -4.487 0.402) 9.646 2.069 ( 6.251 14.609 -4.510) 16.518 2.239 ( -2.447 3.091 3.059) 4.990 2.419 ( 1.222 -2.197 -1.770) 3.075 2.438 ( -1.250 2.658 2.125) 3.625 2.502 ( 2.944 13.965 -7.380) 16.067 2.706 ( 0.869 -5.216 -0.804) 5.348 2.770 ( 6.705 -3.014 0.184) 7.354 2.820 ( 1.374 4.703 2.746) 5.617 2.879 ( 1.004 -1.223 -0.931) 1.836 2.980 ( 1.115 -7.018 -3.896) 8.104 3.065 ( -5.349 3.407 7.927) 10.152 3.121 ( 2.258 0.486 0.249) 2.323 3.199 ( 6.251 3.378 2.230) 7.447 3.282 ( -1.940 -2.031 -0.077) 2.810 3.389 ( 7.450 0.747 5.002) 9.004 3.519 ( 1.702 4.377 -1.775) 5.021 3.553 ( 2.977 0.393 4.824) 5.682 3.662 ( -4.168 2.852 -0.615) 5.087 3.805 ( 1.376 2.709 -5.228) 6.047 3.892 ( -4.168 3.119 7.424) 9.068 3.944 ( -2.164 -5.311 0.560) 5.762 4.002 ( 3.724 -4.592 6.062) 8.468 4.136 ( -6.960 3.955 -2.031) 8.259 4.184 ( -7.070 0.507 -2.349) 7.467 4.270 ( -4.699 0.194 0.492) 4.729 4.355 ( -9.307 -6.669 -2.000) 11.624 4.434 ( -3.579 8.639 1.993) 9.561 4.494 ( -5.034 3.849 -2.416) 6.782 4.599 ( 0.557 0.071 -3.030) 3.082 4.642 ( -1.354 -3.386 -3.651) 5.160 4.813 ( 1.792 0.530 -0.192) 1.879 4.844 ( 1.739 -1.666 -0.195) 2.416 4.972 ( 2.566 5.901 -0.439) 6.450 5.057 ( 3.897 1.260 1.367) 4.318 5.081 ( 3.589 -1.410 -1.241) 4.050 5.101 ( 1.069 -5.581 -0.114) 5.684 5.205 ( -0.336 5.383 3.603) 6.487 5.253 ( 3.902 1.217 -3.220) 5.204 5.362 ( -0.158 0.823 -1.623) 1.826 5.391 ( -1.556 -5.174 1.874) 5.718 5.520 ( -3.117 0.348 1.978) 3.708 5.579 ( -0.908 -0.413 1.290) 1.631 5.642 ( 1.196 3.862 -4.209) 5.836 5.708 ( -0.838 6.749 2.700) 7.318 5.776 ( 1.706 -0.353 -5.013) 5.307 5.849 ( -2.794 3.375 -4.963) 6.620 5.944 ( -0.884 -12.265 0.157) 12.298 5.974 ( 1.216 -5.605 1.946) 6.057 6.089 ( -0.057 1.747 0.709) 1.886 6.239 ( 0.478 -9.919 1.214) 10.005 6.522 ( -1.398 -0.613 -3.215) 3.559 6.540 ( -3.209 -1.928 -1.236) 3.943 6.789 ( 1.685 1.119 4.623) 5.046 6.844 ( 3.192 -3.520 4.490) 6.537 7.007 ( 5.064 2.708 0.572) 5.771 7.079 ( 4.845 -3.223 1.200) 5.941 7.162 ( 0.199 2.024 0.580) 2.115 7.195 ( -3.824 -0.337 -0.382) 3.858 7.281 ( 4.201 6.476 -7.550) 10.798 7.309 ( 2.366 3.681 -3.296) 5.478 7.458 ( -4.811 -5.044 -1.702) 7.175 7.514 ( 3.181 -9.179 -4.679) 10.783 7.601 ( -0.354 0.335 6.564) 6.583 7.648 ( 2.647 -4.497 3.394) 6.225 7.907 ( -2.020 1.919 -2.510) 3.750 7.948 ( -1.269 -1.889 -2.437) 3.334 8.460 ( -0.170 4.720 -1.422) 4.933 8.507 ( 0.710 0.873 1.792) 2.116 8.639 ( 0.260 2.169 -1.297) 2.540 8.669 ( 1.231 -1.358 -1.288) 2.240 8.862 ( 1.244 4.233 8.100) 9.223 8.962 ( -6.952 1.763 3.447) 7.957 8.985 ( 0.810 0.360 8.905) 8.949 9.089 ( -4.391 -1.892 3.576) 5.971 9.177 ( 5.972 3.297 1.205) 6.927 9.243 ( 2.946 -2.613 0.681) 3.997 9.470 ( -5.725 3.168 -8.128) 10.435 9.499 ( -4.550 0.687 -7.561) 8.851 12.576 ( -0.719 7.449 1.619) 7.657 12.729 ( -0.640 -7.200 0.977) 7.294 12.795 ( 3.345 4.252 -3.267) 6.320 12.905 ( 0.883 -5.987 -3.451) 6.967 13.761 ( 3.372 6.853 -4.549) 8.889 13.892 ( 3.277 -5.364 -3.614) 7.251 13.981 ( 6.538 1.304 3.650) 7.601 14.017 ( 5.460 -2.305 4.020) 7.161 14.428 ( -10.799 8.276 17.081) 21.837 14.593 ( -9.648 -9.128 15.611) 20.496 15.065 ( -4.173 8.555 -16.954) 19.443 15.124 ( -7.264 3.005 -18.553) 20.150 15.955 ( -1.266 -0.500 3.643) 3.889 15.971 ( -1.452 -2.013 3.761) 4.506 16.083 ( 1.587 5.302 -1.611) 5.764 16.115 ( 2.902 5.649 -2.073) 6.681 16.179 ( 3.611 -3.478 -1.795) 5.325 16.239 ( 1.871 -5.461 -3.103) 6.554 16.461 ( 5.180 0.397 3.350) 6.182 16.476 ( 5.220 -1.027 3.493) 6.364 17.696 ( 0.186 1.960 6.056) 6.368 17.791 ( 0.933 -7.122 5.072) 8.793 17.906 ( 1.426 3.616 -2.142) 4.438 17.983 ( 3.760 -3.906 -3.281) 6.337 18.151 ( -3.732 -1.065 9.368) 10.140 18.209 ( -2.715 -6.634 8.554) 11.160 18.362 ( -1.984 7.104 -10.770) 13.054 18.487 ( 0.253 -5.242 -10.981) 12.171 ======================= Grid point 117 (51/80) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 12.927 0.000 30.437) 33.068 1.362 ( -11.054 0.000 32.611) 34.434 1.703 ( -0.439 0.000 26.004) 26.007 1.752 ( -10.508 0.000 -18.650) 21.406 1.877 ( -6.108 0.000 4.323) 7.483 1.932 ( 10.391 0.000 -17.284) 20.167 2.195 ( 8.545 0.000 -3.622) 9.281 2.269 ( -12.770 0.000 -1.879) 12.907 2.379 ( 8.722 0.000 8.307) 12.045 2.488 ( -0.593 0.000 3.910) 3.955 2.558 ( -2.818 0.000 -7.671) 8.172 2.573 ( -6.187 0.000 -6.311) 8.838 2.739 ( -3.668 0.000 1.537) 3.977 2.953 ( 1.116 0.000 0.982) 1.486 2.969 ( 9.407 0.000 -12.461) 15.613 3.054 ( 2.727 0.000 -12.637) 12.928 3.100 ( 1.843 0.000 5.566) 5.863 3.262 ( -3.470 0.000 -8.527) 9.206 3.566 ( 3.057 0.000 7.156) 7.782 3.658 ( -3.931 0.000 0.089) 3.932 3.701 ( 2.783 0.000 -2.953) 4.058 3.739 ( 5.326 0.000 0.222) 5.331 3.773 ( -6.526 0.000 1.707) 6.746 3.931 ( -2.926 0.000 -11.063) 11.443 4.116 ( 5.239 0.000 4.833) 7.128 4.198 ( -3.096 0.000 -3.028) 4.331 4.305 ( 6.873 0.000 5.813) 9.001 4.430 ( -0.502 0.000 -4.340) 4.369 4.506 ( -2.741 0.000 0.162) 2.746 4.535 ( 6.038 0.000 -2.975) 6.731 4.663 ( 5.672 0.000 6.927) 8.953 4.705 ( -5.941 0.000 0.835) 6.000 4.721 ( -6.686 0.000 2.749) 7.229 4.813 ( -5.735 0.000 -4.719) 7.427 4.853 ( 3.127 0.000 -1.212) 3.353 4.863 ( -5.763 0.000 -5.222) 7.777 5.102 ( 0.494 0.000 -0.063) 0.498 5.108 ( 2.550 0.000 -1.000) 2.739 5.276 ( 4.898 0.000 3.176) 5.838 5.300 ( -3.353 0.000 0.833) 3.455 5.416 ( 1.243 0.000 3.677) 3.881 5.509 ( -3.985 0.000 -4.977) 6.376 5.699 ( 7.490 0.000 5.382) 9.223 5.764 ( 4.912 0.000 2.045) 5.320 5.832 ( -6.666 0.000 -0.769) 6.710 5.866 ( 1.340 0.000 -4.320) 4.523 5.973 ( 4.916 0.000 3.694) 6.149 5.999 ( -6.333 0.000 2.210) 6.708 6.080 ( 7.198 0.000 1.148) 7.289 6.085 ( -7.406 0.000 0.579) 7.428 6.549 ( 3.282 0.000 4.487) 5.559 6.583 ( -0.902 0.000 1.575) 1.815 6.722 ( -5.032 0.000 1.853) 5.362 6.761 ( 0.039 0.000 -1.772) 1.773 6.978 ( 7.258 0.000 -0.669) 7.289 7.002 ( -5.128 0.000 -3.445) 6.178 7.192 ( 2.037 0.000 1.694) 2.649 7.218 ( -2.842 0.000 0.616) 2.908 7.318 ( 7.997 0.000 -1.167) 8.082 7.348 ( -10.469 0.000 -4.955) 11.582 7.373 ( -1.255 0.000 -0.440) 1.330 7.414 ( 4.553 0.000 -1.929) 4.945 7.450 ( 0.550 0.000 3.739) 3.779 7.527 ( 3.451 0.000 -1.506) 3.766 7.660 ( -3.768 0.000 2.615) 4.587 7.756 ( 2.714 0.000 -7.111) 7.612 8.008 ( -4.249 0.000 5.802) 7.191 8.053 ( 2.045 0.000 1.161) 2.351 8.222 ( 2.600 0.000 2.507) 3.612 8.317 ( 0.077 0.000 -6.817) 6.817 8.609 ( -0.922 0.000 -0.278) 0.963 8.613 ( -0.870 0.000 0.532) 1.020 8.669 ( 1.706 0.000 0.400) 1.752 8.707 ( -0.898 0.000 -2.345) 2.511 8.861 ( -2.533 0.000 5.387) 5.953 8.933 ( 3.899 0.000 -1.406) 4.145 9.177 ( -0.431 0.000 8.484) 8.495 9.296 ( 1.744 0.000 3.606) 4.005 9.340 ( -2.094 0.000 -6.498) 6.827 9.372 ( -2.553 0.000 -5.422) 5.993 12.048 ( -0.134 0.000 0.111) 0.174 12.050 ( 0.151 0.000 -0.100) 0.181 13.190 ( 4.983 0.000 4.472) 6.696 13.299 ( -3.784 0.000 -7.062) 8.011 13.618 ( 3.390 0.000 8.161) 8.837 13.764 ( -2.862 0.000 -5.589) 6.279 13.818 ( -1.494 0.000 3.539) 3.841 13.888 ( 1.858 0.000 -3.700) 4.140 13.928 ( -2.629 0.000 1.230) 2.903 14.004 ( 1.671 0.000 -5.246) 5.505 14.940 ( 0.095 0.000 26.294) 26.294 15.458 ( 3.856 0.000 -27.401) 27.671 15.968 ( 3.184 0.000 4.417) 5.445 16.010 ( -1.913 0.000 1.698) 2.558 16.023 ( 3.873 0.000 3.218) 5.035 16.029 ( -1.435 0.000 0.821) 1.653 16.176 ( 4.120 0.000 -1.672) 4.446 16.179 ( -9.330 0.000 -1.357) 9.428 16.234 ( 4.741 0.000 -1.996) 5.144 16.256 ( -11.299 0.000 -5.229) 12.451 17.641 ( -0.204 0.000 6.918) 6.921 17.737 ( -0.739 0.000 -4.045) 4.112 18.125 ( 9.082 0.000 15.817) 18.238 18.288 ( -2.805 0.000 1.512) 3.187 18.404 ( -1.513 0.000 -2.420) 2.854 18.485 ( -2.330 0.000 -12.724) 12.936 18.916 ( 3.818 0.000 3.473) 5.161 18.978 ( -2.134 0.000 -2.910) 3.609 ======================= Grid point 118 (52/80) ======================= q-point: ( 0.17 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -6.794 0.000 -28.081) 28.891 1.533 ( -3.924 0.000 28.648) 28.915 1.650 ( 2.477 0.000 23.825) 23.953 1.834 ( 7.587 0.000 -8.580) 11.453 1.843 ( -1.368 0.000 2.465) 2.820 2.057 ( -6.307 0.000 1.688) 6.529 2.080 ( 13.580 0.000 -8.314) 15.923 2.415 ( -7.099 0.000 -2.077) 7.397 2.426 ( 7.699 0.000 -6.525) 10.092 2.441 ( -10.106 0.000 6.221) 11.867 2.525 ( 9.109 0.000 1.713) 9.268 2.700 ( 15.620 0.000 3.603) 16.030 2.779 ( 5.172 0.000 10.395) 11.610 2.929 ( 3.530 0.000 -13.651) 14.100 2.967 ( -1.621 0.000 -0.374) 1.664 2.976 ( 0.198 0.000 -5.873) 5.877 3.119 ( -1.330 0.000 -5.506) 5.665 3.245 ( 3.393 0.000 6.538) 7.366 3.542 ( -11.781 0.000 -4.534) 12.623 3.559 ( -8.438 0.000 -0.712) 8.468 3.633 ( 0.889 0.000 0.391) 0.971 3.756 ( 6.194 0.000 0.330) 6.202 3.845 ( -3.825 0.000 -6.437) 7.488 3.922 ( 5.780 0.000 11.496) 12.867 4.105 ( -1.360 0.000 -4.491) 4.692 4.197 ( -1.579 0.000 1.428) 2.129 4.241 ( -2.555 0.000 -7.024) 7.474 4.403 ( -2.618 0.000 -0.101) 2.620 4.436 ( -2.516 0.000 -1.581) 2.971 4.472 ( -3.878 0.000 -0.944) 3.991 4.657 ( -3.939 0.000 -5.344) 6.639 4.777 ( -2.133 0.000 2.256) 3.105 4.811 ( 6.916 0.000 5.808) 9.031 4.824 ( 3.932 0.000 9.179) 9.985 4.839 ( 3.771 0.000 7.735) 8.606 4.917 ( 3.840 0.000 1.887) 4.279 5.053 ( -3.441 0.000 -3.600) 4.980 5.106 ( -0.594 0.000 -3.403) 3.454 5.182 ( -6.514 0.000 -1.838) 6.768 5.338 ( 0.292 0.000 1.452) 1.481 5.389 ( -3.689 0.000 -2.389) 4.395 5.522 ( 5.231 0.000 6.052) 8.000 5.673 ( -8.690 0.000 -0.998) 8.747 5.720 ( -1.000 0.000 -12.131) 12.172 5.773 ( -5.926 0.000 -2.260) 6.343 5.838 ( -8.176 0.000 0.334) 8.183 5.959 ( 3.380 0.000 4.410) 5.557 5.980 ( 1.682 0.000 -1.435) 2.210 6.114 ( 2.276 0.000 4.291) 4.857 6.219 ( 6.075 0.000 -1.599) 6.282 6.530 ( -0.937 0.000 -7.441) 7.500 6.536 ( -2.574 0.000 0.387) 2.603 6.661 ( -10.641 0.000 7.743) 13.160 6.729 ( -4.236 0.000 -1.831) 4.615 7.007 ( 8.312 0.000 -6.204) 10.372 7.019 ( -7.654 0.000 12.650) 14.785 7.166 ( -1.470 0.000 -1.030) 1.795 7.194 ( 3.819 0.000 -3.147) 4.949 7.272 ( 2.137 0.000 5.470) 5.873 7.340 ( -0.226 0.000 -1.983) 1.995 7.392 ( 0.727 0.000 -5.503) 5.551 7.438 ( 3.414 0.000 -2.178) 4.050 7.545 ( 2.474 0.000 -4.424) 5.069 7.567 ( 3.644 0.000 6.586) 7.527 7.668 ( 2.454 0.000 3.081) 3.938 7.782 ( 4.555 0.000 -3.971) 6.043 8.014 ( 0.616 0.000 4.325) 4.368 8.110 ( 3.498 0.000 -0.616) 3.552 8.219 ( -2.308 0.000 -6.942) 7.316 8.273 ( 0.453 0.000 0.731) 0.860 8.626 ( 0.600 0.000 2.056) 2.141 8.637 ( 2.335 0.000 2.036) 3.098 8.641 ( -2.978 0.000 -3.986) 4.976 8.712 ( 1.582 0.000 0.970) 1.856 8.816 ( -5.653 0.000 2.974) 6.387 8.912 ( -2.222 0.000 -4.568) 5.080 9.190 ( -6.055 0.000 -6.903) 9.182 9.250 ( -2.559 0.000 9.946) 10.270 9.261 ( -4.044 0.000 -0.712) 4.106 9.317 ( -2.933 0.000 2.012) 3.557 12.049 ( 0.183 0.000 0.107) 0.212 12.054 ( 0.362 0.000 -0.133) 0.386 13.229 ( 2.599 0.000 -3.038) 3.998 13.350 ( 5.291 0.000 3.285) 6.228 13.686 ( 1.873 0.000 -7.623) 7.850 13.818 ( -1.870 0.000 3.111) 3.630 13.822 ( 7.238 0.000 3.773) 8.162 13.886 ( 2.198 0.000 -3.528) 4.157 13.947 ( 0.275 0.000 3.993) 4.003 14.072 ( 13.113 0.000 -1.389) 13.186 15.080 ( -10.750 0.000 23.548) 25.886 15.091 ( -11.138 0.000 -29.382) 31.422 15.970 ( -0.697 0.000 -2.425) 2.523 16.008 ( -0.334 0.000 0.075) 0.342 16.060 ( 2.678 0.000 -0.111) 2.681 16.075 ( 1.473 0.000 -2.360) 2.782 16.114 ( 0.503 0.000 1.264) 1.360 16.134 ( -2.529 0.000 3.255) 4.122 16.344 ( 10.170 0.000 5.114) 11.384 16.407 ( 9.474 0.000 5.933) 11.178 17.724 ( 3.334 0.000 -3.159) 4.594 17.737 ( 3.816 0.000 5.101) 6.370 18.098 ( -7.766 0.000 -11.944) 14.247 18.305 ( -5.199 0.000 -3.928) 6.517 18.414 ( 0.493 0.000 -2.389) 2.440 18.432 ( 6.495 0.000 14.388) 15.786 18.848 ( -6.201 0.000 -4.149) 7.461 18.922 ( -5.888 0.000 2.378) 6.350 ======================= Grid point 119 (53/80) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 24.171 0.000 -6.709) 25.085 1.708 ( -6.756 0.000 21.751) 22.776 1.819 ( 9.476 0.000 -9.452) 13.385 1.881 ( 3.984 0.000 1.606) 4.295 1.954 ( -5.152 0.000 20.448) 21.087 2.065 ( 0.210 0.000 8.962) 8.965 2.174 ( -3.760 0.000 3.301) 5.003 2.276 ( -5.440 0.000 1.728) 5.707 2.329 ( 7.052 0.000 -7.739) 10.470 2.474 ( 6.437 0.000 -9.378) 11.374 2.610 ( 2.559 0.000 -4.930) 5.555 2.801 ( -0.541 0.000 -3.905) 3.942 2.844 ( -0.102 0.000 -13.142) 13.142 2.848 ( -5.408 0.000 -1.812) 5.704 3.021 ( 2.827 0.000 5.602) 6.275 3.088 ( 7.297 0.000 -1.985) 7.562 3.119 ( -4.481 0.000 -4.600) 6.422 3.266 ( -5.217 0.000 -0.569) 5.248 3.399 ( -1.110 0.000 5.117) 5.236 3.418 ( 1.197 0.000 3.535) 3.733 3.654 ( 0.826 0.000 -3.434) 3.532 3.683 ( -1.348 0.000 3.891) 4.118 3.849 ( 2.402 0.000 -6.409) 6.844 4.077 ( 4.413 0.000 -7.342) 8.567 4.089 ( -7.856 0.000 -2.837) 8.353 4.162 ( 8.854 0.000 9.383) 12.901 4.213 ( -9.811 0.000 4.604) 10.837 4.244 ( 1.802 0.000 0.269) 1.822 4.421 ( 2.466 0.000 -0.936) 2.637 4.432 ( -6.070 0.000 -6.060) 8.577 4.640 ( -1.107 0.000 3.140) 3.329 4.738 ( -10.062 0.000 -2.078) 10.274 4.744 ( 0.828 0.000 4.906) 4.975 4.944 ( -1.044 0.000 1.081) 1.503 4.963 ( 4.655 0.000 3.857) 6.045 5.005 ( 2.076 0.000 1.010) 2.309 5.079 ( 1.975 0.000 9.254) 9.463 5.159 ( 6.966 0.000 1.089) 7.051 5.169 ( 4.832 0.000 5.100) 7.025 5.260 ( -0.618 0.000 -6.915) 6.943 5.357 ( -4.307 0.000 2.960) 5.226 5.519 ( -5.308 0.000 -1.604) 5.545 5.522 ( -9.195 0.000 -8.579) 12.576 5.643 ( -4.405 0.000 -0.122) 4.407 5.678 ( 4.060 0.000 3.898) 5.629 5.693 ( -2.315 0.000 -4.559) 5.113 5.947 ( -0.896 0.000 -7.326) 7.380 6.003 ( -2.307 0.000 2.067) 3.098 6.138 ( -2.655 0.000 1.813) 3.215 6.242 ( 0.846 0.000 -11.390) 11.421 6.415 ( -9.530 0.000 1.916) 9.721 6.432 ( -6.338 0.000 -0.388) 6.350 6.619 ( 2.808 0.000 1.746) 3.307 6.675 ( 4.305 0.000 -1.485) 4.554 7.024 ( -4.118 0.000 8.325) 9.288 7.077 ( 2.851 0.000 -3.991) 4.904 7.161 ( 1.014 0.000 0.295) 1.056 7.258 ( -0.681 0.000 5.107) 5.153 7.306 ( 1.682 0.000 -8.065) 8.238 7.340 ( -2.775 0.000 3.443) 4.422 7.405 ( 6.866 0.000 3.178) 7.566 7.510 ( 6.528 0.000 -2.279) 6.915 7.552 ( 2.051 0.000 -3.053) 3.678 7.698 ( 2.033 0.000 9.685) 9.896 7.752 ( 1.244 0.000 0.552) 1.361 7.827 ( 2.955 0.000 -1.002) 3.121 8.128 ( 5.898 0.000 3.907) 7.074 8.152 ( 2.750 0.000 -3.814) 4.702 8.174 ( 5.264 0.000 -3.227) 6.174 8.247 ( -0.626 0.000 -4.509) 4.552 8.512 ( -5.794 0.000 -4.096) 7.095 8.594 ( -9.562 0.000 -0.322) 9.567 8.661 ( -1.026 0.000 0.206) 1.047 8.715 ( 2.947 0.000 1.802) 3.455 8.787 ( -4.872 0.000 -4.610) 6.707 8.871 ( 6.559 0.000 2.918) 7.179 8.998 ( -8.128 0.000 -3.860) 8.998 9.217 ( -5.467 0.000 0.102) 5.468 9.220 ( -1.049 0.000 1.452) 1.791 9.282 ( -3.456 0.000 3.921) 5.227 12.055 ( 0.248 0.000 0.143) 0.287 12.059 ( 0.315 0.000 -0.161) 0.353 13.332 ( 5.849 0.000 5.969) 8.357 13.447 ( 1.545 0.000 4.196) 4.472 13.679 ( 4.718 0.000 -6.290) 7.863 13.814 ( -1.807 0.000 3.099) 3.587 13.875 ( 1.998 0.000 -3.248) 3.813 13.913 ( 2.325 0.000 -2.085) 3.123 13.979 ( -0.670 0.000 2.469) 2.558 14.478 ( 21.551 0.000 -0.198) 21.552 14.569 ( -10.036 0.000 -23.519) 25.571 15.027 ( -16.694 0.000 19.033) 25.317 15.962 ( 1.602 0.000 -1.671) 2.315 16.015 ( 0.295 0.000 0.733) 0.790 16.060 ( 0.498 0.000 -3.587) 3.622 16.080 ( 1.070 0.000 -2.338) 2.572 16.156 ( 1.464 0.000 3.558) 3.848 16.182 ( 3.232 0.000 4.059) 5.189 16.494 ( -0.268 0.000 0.165) 0.315 16.556 ( -0.100 0.000 1.292) 1.296 17.794 ( 6.451 0.000 -2.690) 6.990 17.868 ( 5.186 0.000 3.224) 6.106 17.928 ( 1.069 0.000 -4.831) 4.948 18.134 ( -8.908 0.000 -2.903) 9.369 18.422 ( 2.824 0.000 -1.457) 3.178 18.642 ( 2.954 0.000 8.413) 8.916 18.746 ( -1.058 0.000 -0.261) 1.090 18.769 ( -10.892 0.000 1.516) 10.997 ======================= Grid point 120 (54/80) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -17.843 0.000 18.136) 25.441 1.749 ( -22.964 0.000 14.804) 27.323 1.859 ( 25.943 0.000 4.179) 26.278 1.965 ( 11.511 0.000 -11.741) 16.443 2.052 ( 10.641 0.000 8.660) 13.720 2.153 ( -3.846 0.000 13.527) 14.063 2.224 ( -19.496 0.000 -3.929) 19.888 2.305 ( 3.121 0.000 4.700) 5.642 2.308 ( -0.683 0.000 0.855) 1.095 2.379 ( 0.857 0.000 -10.878) 10.911 2.581 ( 3.605 0.000 -5.688) 6.734 2.652 ( -7.280 0.000 -9.417) 11.903 2.766 ( -1.919 0.000 -0.111) 1.922 2.798 ( 5.770 0.000 -2.907) 6.461 2.966 ( 5.666 0.000 -1.050) 5.762 3.029 ( -3.879 0.000 -5.384) 6.636 3.122 ( 2.087 0.000 1.815) 2.766 3.232 ( 3.857 0.000 -9.733) 10.469 3.364 ( -5.218 0.000 8.467) 9.946 3.582 ( 8.262 0.000 -0.433) 8.273 3.653 ( -6.484 0.000 -10.435) 12.285 3.659 ( 0.323 0.000 -0.415) 0.526 3.943 ( 15.287 0.000 8.071) 17.287 4.005 ( -4.147 0.000 1.934) 4.576 4.055 ( -13.236 0.000 1.173) 13.288 4.124 ( 8.015 0.000 -6.617) 10.393 4.252 ( 0.144 0.000 -0.609) 0.626 4.286 ( -1.011 0.000 -4.599) 4.709 4.397 ( 6.739 0.000 1.160) 6.838 4.420 ( -3.249 0.000 -1.582) 3.613 4.566 ( -1.992 0.000 5.633) 5.975 4.635 ( 0.842 0.000 0.163) 0.857 4.893 ( -0.924 0.000 5.598) 5.674 4.910 ( -0.095 0.000 -0.408) 0.419 5.031 ( -1.937 0.000 0.573) 2.020 5.047 ( 0.126 0.000 2.088) 2.091 5.144 ( 2.603 0.000 1.357) 2.935 5.187 ( -0.735 0.000 6.844) 6.884 5.240 ( -8.954 0.000 -4.475) 10.010 5.298 ( 1.121 0.000 -1.501) 1.873 5.345 ( 6.604 0.000 0.837) 6.657 5.402 ( -1.514 0.000 -3.618) 3.922 5.489 ( 7.785 0.000 8.730) 11.697 5.598 ( -1.181 0.000 2.636) 2.888 5.635 ( 1.559 0.000 -6.429) 6.615 5.673 ( -5.766 0.000 -4.798) 7.501 5.907 ( 2.370 0.000 0.090) 2.372 5.956 ( -3.853 0.000 -2.373) 4.525 6.081 ( -2.264 0.000 -0.702) 2.370 6.085 ( -2.846 0.000 -3.217) 4.295 6.351 ( -1.615 0.000 1.187) 2.004 6.353 ( -1.199 0.000 2.328) 2.619 6.697 ( -1.590 0.000 -1.594) 2.251 6.717 ( 4.609 0.000 -1.422) 4.823 7.037 ( 1.393 0.000 -0.254) 1.416 7.047 ( 0.238 0.000 -4.208) 4.215 7.183 ( -1.029 0.000 2.523) 2.725 7.269 ( 1.413 0.000 -6.628) 6.777 7.311 ( -4.417 0.000 6.066) 7.504 7.319 ( 1.385 0.000 5.624) 5.792 7.511 ( -4.096 0.000 7.475) 8.524 7.573 ( -0.551 0.000 -1.715) 1.801 7.611 ( 7.142 0.000 -0.395) 7.153 7.696 ( -2.164 0.000 -4.788) 5.254 7.805 ( -0.698 0.000 7.287) 7.320 7.893 ( 5.244 0.000 -0.831) 5.310 8.132 ( -5.226 0.000 -1.193) 5.360 8.192 ( 4.098 0.000 -7.552) 8.592 8.274 ( 0.560 0.000 -0.643) 0.853 8.287 ( 6.406 0.000 0.080) 6.407 8.370 ( -2.898 0.000 -0.878) 3.028 8.405 ( -3.384 0.000 -3.462) 4.841 8.647 ( -1.604 0.000 1.591) 2.259 8.692 ( 0.168 0.000 -2.655) 2.660 8.792 ( 2.564 0.000 2.496) 3.578 8.835 ( -5.295 0.000 -1.567) 5.522 9.034 ( 5.567 0.000 4.025) 6.870 9.096 ( -6.510 0.000 -1.566) 6.696 9.249 ( 3.103 0.000 1.226) 3.336 9.250 ( -1.828 0.000 0.595) 1.922 12.059 ( -0.066 0.000 0.141) 0.156 12.062 ( 0.069 0.000 -0.152) 0.167 13.495 ( -0.408 0.000 3.428) 3.452 13.498 ( 3.185 0.000 5.497) 6.353 13.764 ( 6.814 0.000 2.374) 7.216 13.814 ( -0.972 0.000 3.146) 3.293 13.872 ( 0.166 0.000 -4.207) 4.210 13.908 ( -1.338 0.000 -4.866) 5.046 13.979 ( 0.129 0.000 0.910) 0.919 14.104 ( -7.767 0.000 -15.649) 17.471 14.826 ( -21.097 0.000 12.045) 24.293 14.991 ( 26.797 0.000 -4.942) 27.249 15.981 ( 0.580 0.000 0.824) 1.007 16.018 ( -1.635 0.000 -3.219) 3.610 16.027 ( -0.288 0.000 1.591) 1.617 16.064 ( -0.185 0.000 -2.460) 2.467 16.264 ( 5.329 0.000 5.965) 7.999 16.319 ( 5.691 0.000 6.849) 8.905 16.374 ( -6.655 0.000 -5.270) 8.489 16.446 ( -6.426 0.000 -5.646) 8.554 17.907 ( 5.846 0.000 0.927) 5.919 17.925 ( -11.232 0.000 -0.590) 11.247 17.963 ( 1.834 0.000 -0.039) 1.835 17.967 ( 2.367 0.000 -0.090) 2.368 18.525 ( -10.831 0.000 -0.231) 10.834 18.529 ( 10.352 0.000 -0.657) 10.373 18.761 ( 0.524 0.000 3.241) 3.283 18.775 ( 1.657 0.000 1.481) 2.223 ======================= Grid point 121 (55/80) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -36.055 0.000 -4.848) 36.380 1.449 ( -21.249 0.000 22.783) 31.154 1.671 ( -25.501 0.000 18.330) 31.405 2.080 ( 12.046 0.000 -15.660) 19.757 2.084 ( -6.688 0.000 8.855) 11.097 2.154 ( -1.054 0.000 7.137) 7.214 2.205 ( -5.361 0.000 -8.326) 9.902 2.267 ( -7.144 0.000 0.518) 7.163 2.381 ( 1.698 0.000 -0.627) 1.810 2.434 ( 11.494 0.000 -2.587) 11.781 2.539 ( 0.649 0.000 1.983) 2.087 2.651 ( 2.423 0.000 2.361) 3.383 2.776 ( 3.200 0.000 -2.184) 3.874 2.914 ( 1.300 0.000 -9.429) 9.518 3.030 ( 14.954 0.000 2.531) 15.166 3.065 ( -0.416 0.000 -1.101) 1.177 3.182 ( 2.314 0.000 -11.586) 11.815 3.222 ( 8.009 0.000 3.268) 8.651 3.389 ( -3.144 0.000 9.397) 9.909 3.506 ( 1.267 0.000 -5.395) 5.542 3.719 ( 6.029 0.000 2.623) 6.575 3.723 ( -1.658 0.000 -5.542) 5.785 3.773 ( -2.238 0.000 -3.370) 4.045 3.931 ( -5.284 0.000 2.847) 6.002 4.112 ( 2.915 0.000 -3.521) 4.571 4.282 ( 3.149 0.000 -3.746) 4.894 4.292 ( 2.828 0.000 -2.886) 4.041 4.308 ( 2.108 0.000 -0.551) 2.179 4.337 ( 6.212 0.000 0.618) 6.243 4.401 ( -3.053 0.000 0.728) 3.139 4.694 ( 4.118 0.000 -1.568) 4.406 4.703 ( 7.851 0.000 1.519) 7.997 4.838 ( -7.046 0.000 -4.896) 8.580 4.851 ( -3.604 0.000 7.379) 8.212 4.989 ( -3.643 0.000 2.744) 4.561 5.010 ( -3.040 0.000 0.432) 3.070 5.122 ( 0.752 0.000 4.401) 4.465 5.178 ( -5.928 0.000 -1.162) 6.041 5.243 ( -1.942 0.000 2.177) 2.917 5.319 ( 4.816 0.000 -5.421) 7.251 5.365 ( 0.404 0.000 -0.459) 0.611 5.449 ( -4.232 0.000 -9.361) 10.273 5.483 ( 6.434 0.000 1.554) 6.619 5.609 ( 5.596 0.000 3.883) 6.811 5.626 ( -0.134 0.000 -0.103) 0.169 5.733 ( 4.051 0.000 2.584) 4.805 5.857 ( -2.410 0.000 -1.257) 2.718 5.996 ( 1.752 0.000 6.077) 6.325 6.073 ( 1.193 0.000 1.246) 1.725 6.113 ( 1.754 0.000 4.341) 4.682 6.380 ( 2.766 0.000 6.469) 7.036 6.450 ( 7.944 0.000 3.563) 8.706 6.618 ( -4.193 0.000 0.210) 4.198 6.700 ( -1.367 0.000 -7.130) 7.260 7.053 ( -0.365 0.000 -2.347) 2.375 7.063 ( 2.508 0.000 1.156) 2.761 7.154 ( -4.293 0.000 4.478) 6.204 7.214 ( -0.582 0.000 -5.012) 5.046 7.308 ( -1.929 0.000 4.821) 5.192 7.385 ( 0.526 0.000 3.328) 3.370 7.438 ( -7.714 0.000 -3.331) 8.402 7.468 ( -4.205 0.000 1.607) 4.501 7.619 ( -1.722 0.000 -8.063) 8.245 7.699 ( -0.733 0.000 2.847) 2.940 7.806 ( -3.315 0.000 1.977) 3.860 7.936 ( 2.721 0.000 -12.303) 12.600 8.072 ( 0.003 0.000 4.828) 4.828 8.119 ( -7.797 0.000 1.219) 7.892 8.141 ( -7.779 0.000 -0.477) 7.793 8.280 ( 4.861 0.000 -5.294) 7.187 8.454 ( 4.640 0.000 1.526) 4.884 8.546 ( 10.521 0.000 3.111) 10.971 8.676 ( 1.823 0.000 5.172) 5.484 8.696 ( 1.511 0.000 -2.527) 2.944 8.758 ( -2.416 0.000 -0.631) 2.497 8.849 ( -2.931 0.000 3.703) 4.723 8.997 ( 1.556 0.000 -1.682) 2.292 9.150 ( 3.081 0.000 5.603) 6.395 9.232 ( -0.400 0.000 -0.179) 0.438 9.351 ( 6.652 0.000 -1.883) 6.914 12.056 ( -0.324 0.000 0.156) 0.360 12.058 ( -0.238 0.000 -0.161) 0.287 13.482 ( -3.178 0.000 -4.152) 5.228 13.530 ( -0.127 0.000 -3.213) 3.216 13.625 ( -10.036 0.000 -6.479) 11.946 13.807 ( -1.804 0.000 3.499) 3.936 13.869 ( -1.923 0.000 2.784) 3.383 13.884 ( 2.100 0.000 -4.052) 4.564 14.034 ( 2.610 0.000 -2.838) 3.856 14.164 ( 12.133 0.000 14.606) 18.988 14.481 ( -22.244 0.000 2.747) 22.413 15.349 ( 20.910 0.000 -14.192) 25.271 15.941 ( -3.838 0.000 -0.456) 3.865 15.997 ( -0.641 0.000 2.670) 2.746 16.022 ( -2.533 0.000 -0.862) 2.676 16.035 ( -0.732 0.000 1.993) 2.123 16.232 ( -2.819 0.000 -4.263) 5.111 16.288 ( -3.226 0.000 -5.703) 6.552 16.448 ( 6.112 0.000 5.400) 8.156 16.513 ( 6.255 0.000 6.213) 8.816 17.704 ( -13.288 0.000 4.729) 14.104 17.909 ( -5.221 0.000 -1.847) 5.538 17.910 ( -3.728 0.000 -0.800) 3.813 18.082 ( 7.305 0.000 2.005) 7.575 18.411 ( -1.083 0.000 0.024) 1.084 18.733 ( 6.018 0.000 -0.945) 6.091 18.753 ( -1.912 0.000 -0.680) 2.029 18.809 ( 5.809 0.000 -2.281) 6.240 ======================= Grid point 122 (56/80) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -8.216 0.000 22.647) 24.091 1.330 ( -18.423 0.000 30.252) 35.420 1.555 ( -15.354 0.000 31.595) 35.128 1.970 ( -10.556 0.000 6.663) 12.483 1.994 ( 1.562 0.000 -15.690) 15.767 2.056 ( -6.122 0.000 -9.706) 11.475 2.162 ( 6.422 0.000 -12.501) 14.054 2.225 ( -2.802 0.000 9.932) 10.319 2.424 ( 3.320 0.000 1.293) 3.563 2.461 ( -4.824 0.000 -0.737) 4.880 2.649 ( -4.649 0.000 3.179) 5.632 2.673 ( 9.191 0.000 -4.967) 10.448 2.821 ( 2.102 0.000 -4.302) 4.788 2.867 ( -0.909 0.000 0.568) 1.072 2.964 ( -5.514 0.000 -1.174) 5.637 3.079 ( 1.845 0.000 -9.793) 9.965 3.167 ( 1.516 0.000 -10.525) 10.633 3.403 ( 3.991 0.000 -2.959) 4.968 3.413 ( -2.196 0.000 0.641) 2.288 3.532 ( 9.914 0.000 4.145) 10.746 3.660 ( 4.179 0.000 0.355) 4.194 3.788 ( -2.029 0.000 -3.741) 4.256 3.846 ( 3.287 0.000 -6.013) 6.853 3.935 ( 2.921 0.000 9.250) 9.701 4.112 ( -3.841 0.000 -7.269) 8.221 4.192 ( 3.843 0.000 -0.332) 3.857 4.227 ( -3.130 0.000 -1.892) 3.657 4.397 ( 4.765 0.000 -0.346) 4.778 4.434 ( 5.720 0.000 -1.252) 5.856 4.485 ( 2.073 0.000 -0.066) 2.074 4.568 ( -3.091 0.000 1.293) 3.350 4.825 ( 1.105 0.000 -2.818) 3.027 4.835 ( -7.396 0.000 7.777) 10.732 4.871 ( 2.971 0.000 1.064) 3.156 4.961 ( -5.019 0.000 -7.305) 8.862 5.021 ( 1.820 0.000 -2.312) 2.943 5.056 ( 0.803 0.000 -1.055) 1.326 5.081 ( -2.821 0.000 -1.002) 2.994 5.183 ( -2.041 0.000 -7.699) 7.965 5.246 ( 3.666 0.000 6.314) 7.301 5.404 ( -0.883 0.000 -0.227) 0.912 5.493 ( 2.391 0.000 10.175) 10.453 5.637 ( 6.346 0.000 1.927) 6.632 5.676 ( -1.954 0.000 -9.031) 9.240 5.698 ( 7.201 0.000 5.429) 9.018 5.823 ( 9.436 0.000 1.400) 9.540 5.894 ( 1.613 0.000 7.500) 7.671 6.013 ( -2.729 0.000 -0.589) 2.792 6.119 ( -5.262 0.000 3.759) 6.467 6.133 ( -1.182 0.000 6.257) 6.367 6.460 ( 1.063 0.000 -1.133) 1.553 6.599 ( -1.260 0.000 -4.314) 4.494 6.668 ( 9.432 0.000 2.228) 9.692 6.739 ( 13.599 0.000 4.410) 14.296 6.908 ( -12.269 0.000 3.057) 12.644 7.121 ( 1.040 0.000 2.895) 3.076 7.148 ( -3.650 0.000 -0.844) 3.747 7.193 ( 0.682 0.000 7.319) 7.350 7.282 ( -0.084 0.000 -8.080) 8.080 7.351 ( 3.156 0.000 -1.642) 3.557 7.406 ( -0.998 0.000 -3.326) 3.472 7.416 ( 0.731 0.000 1.820) 1.961 7.480 ( -5.797 0.000 -0.896) 5.865 7.616 ( -8.499 0.000 -0.763) 8.533 7.733 ( -5.314 0.000 0.928) 5.395 7.828 ( 0.094 0.000 -11.355) 11.356 8.032 ( -2.153 0.000 1.820) 2.819 8.040 ( -4.987 0.000 4.493) 6.713 8.148 ( 3.144 0.000 1.545) 3.503 8.331 ( 4.190 0.000 -4.457) 6.117 8.568 ( 3.886 0.000 3.331) 5.118 8.664 ( -2.283 0.000 -2.029) 3.054 8.687 ( -1.785 0.000 -2.477) 3.053 8.724 ( 2.479 0.000 -0.191) 2.486 8.806 ( 2.057 0.000 6.570) 6.884 8.818 ( 3.241 0.000 2.821) 4.297 9.094 ( 4.497 0.000 2.551) 5.170 9.237 ( 0.698 0.000 1.555) 1.705 9.306 ( 7.674 0.000 3.058) 8.261 9.413 ( 3.493 0.000 -5.838) 6.803 12.051 ( -0.333 0.000 0.156) 0.368 12.052 ( -0.216 0.000 -0.143) 0.259 13.239 ( -10.059 0.000 -5.429) 11.431 13.447 ( -3.493 0.000 -6.328) 7.228 13.549 ( -2.512 0.000 6.040) 6.542 13.809 ( -1.542 0.000 3.564) 3.883 13.841 ( -2.968 0.000 1.672) 3.407 13.886 ( 2.168 0.000 -3.821) 4.393 14.039 ( 1.196 0.000 -4.717) 4.866 14.106 ( -15.001 0.000 -3.540) 15.413 14.582 ( 10.274 0.000 23.477) 25.627 15.507 ( 14.359 0.000 -20.685) 25.180 15.903 ( -0.915 0.000 3.268) 3.393 15.974 ( -2.183 0.000 2.194) 3.095 16.009 ( -1.251 0.000 3.425) 3.646 16.038 ( -0.981 0.000 1.768) 2.022 16.172 ( 0.362 0.000 -3.821) 3.838 16.221 ( 1.002 0.000 -4.596) 4.704 16.450 ( -8.899 0.000 -5.708) 10.573 16.534 ( -6.441 0.000 -6.237) 8.965 17.609 ( -5.689 0.000 11.596) 12.917 17.816 ( -3.399 0.000 -3.275) 4.720 17.863 ( 1.886 0.000 7.803) 8.028 18.227 ( 4.373 0.000 3.880) 5.847 18.419 ( 1.370 0.000 -1.458) 2.001 18.666 ( -3.007 0.000 -9.529) 9.993 18.767 ( 3.968 0.000 4.194) 5.773 18.957 ( 6.449 0.000 -1.299) 6.578 ======================= Grid point 123 (57/80) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -4.046 -6.294 30.476) 31.381 1.433 ( 17.214 8.810 29.924) 35.628 1.658 ( 2.901 -7.889 -25.059) 26.431 1.867 ( -7.356 8.647 -3.633) 11.919 2.001 ( -1.352 11.202 6.642) 13.093 2.043 ( -4.669 7.232 -6.965) 11.073 2.226 ( -1.389 5.635 9.287) 10.952 2.323 ( -6.553 5.397 -0.160) 8.491 2.442 ( 0.701 5.548 3.757) 6.737 2.524 ( 2.523 5.847 -0.104) 6.369 2.637 ( 1.998 9.718 -6.386) 11.799 2.730 ( -1.801 7.290 -8.428) 11.288 2.805 ( -4.697 9.144 9.123) 13.744 3.004 ( 3.697 5.099 -2.248) 6.688 3.037 ( 2.583 5.742 -4.235) 7.588 3.125 ( 3.845 4.397 -1.198) 5.963 3.160 ( 0.157 6.860 -3.297) 7.613 3.302 ( -2.472 3.683 -8.497) 9.586 3.488 ( 3.130 -6.206 0.935) 7.013 3.538 ( -5.052 -5.493 -4.807) 8.877 3.658 ( 5.504 0.974 8.210) 9.932 3.837 ( -2.918 2.945 -8.391) 9.359 3.889 ( -6.365 5.586 3.181) 9.046 3.982 ( 3.324 4.680 -5.320) 7.826 4.074 ( 3.443 -3.433 5.279) 7.177 4.154 ( 1.457 -3.685 -2.447) 4.658 4.298 ( 4.499 -0.442 4.097) 6.101 4.383 ( -1.623 -3.017 -2.739) 4.386 4.515 ( 0.499 -0.727 -0.175) 0.899 4.540 ( 0.321 2.784 -1.922) 3.398 4.627 ( 5.066 -3.891 6.478) 9.098 4.711 ( -4.389 -0.698 0.769) 4.510 4.749 ( -4.748 -0.822 -0.595) 4.855 4.766 ( -5.850 0.891 -4.156) 7.231 4.829 ( 2.158 0.356 -0.186) 2.195 4.892 ( -3.031 1.643 -6.127) 7.030 5.092 ( 1.936 -1.466 0.892) 2.587 5.105 ( 0.042 -0.611 0.490) 0.784 5.259 ( 1.658 -2.628 2.658) 4.089 5.317 ( -1.935 -0.916 -2.861) 3.573 5.432 ( 0.463 1.681 4.402) 4.735 5.493 ( -0.262 -1.675 -0.692) 1.831 5.708 ( 6.655 -0.183 4.306) 7.929 5.739 ( 4.180 -6.130 5.758) 9.391 5.792 ( 2.168 -3.396 -0.795) 4.107 5.804 ( -5.301 -5.720 -1.183) 7.888 5.884 ( -0.619 -6.343 -1.975) 6.672 5.901 ( -3.811 -1.017 -4.841) 6.244 6.068 ( 6.589 -0.377 5.785) 8.776 6.174 ( -6.461 3.764 -4.053) 8.505 6.557 ( -3.570 1.402 9.624) 10.360 6.641 ( 2.976 1.179 -0.237) 3.210 6.766 ( -0.897 2.459 2.622) 3.705 6.800 ( -0.912 2.919 -0.012) 3.059 6.954 ( 11.828 -5.713 -2.351) 13.344 6.977 ( -6.148 -4.286 -2.560) 7.920 7.059 ( -3.848 -9.084 4.519) 10.851 7.157 ( 0.641 -4.867 -4.200) 6.460 7.261 ( -0.042 -4.237 0.922) 4.337 7.300 ( 1.998 -6.166 -2.434) 6.923 7.332 ( -6.881 -0.661 -1.816) 7.147 7.379 ( 5.314 -0.730 -4.804) 7.201 7.491 ( 0.807 3.401 5.571) 6.576 7.585 ( 1.127 3.254 -1.760) 3.867 7.676 ( -2.477 3.194 1.670) 4.374 7.745 ( 3.092 -1.224 -5.652) 6.558 7.979 ( -3.826 -1.704 7.860) 8.906 8.092 ( 0.921 3.192 -1.903) 3.829 8.160 ( 1.148 -3.178 0.875) 3.491 8.221 ( 3.964 -7.661 -6.649) 10.891 8.579 ( -0.043 -4.410 4.543) 6.332 8.643 ( 0.062 0.586 0.039) 0.591 8.675 ( -1.016 3.331 -0.140) 3.485 8.724 ( -2.295 2.508 -3.264) 4.713 8.941 ( -3.362 5.917 6.548) 9.444 9.023 ( 4.930 8.159 -1.260) 9.616 9.121 ( -0.485 -2.964 6.558) 7.213 9.234 ( 0.178 -3.022 -2.748) 4.089 9.316 ( -3.608 -2.951 2.831) 5.453 9.378 ( 1.225 0.110 -4.654) 4.814 12.154 ( 0.007 8.850 2.233) 9.127 12.228 ( 0.082 13.137 -6.386) 14.607 13.154 ( 3.685 -3.245 3.494) 6.026 13.235 ( -2.801 -5.650 -4.946) 8.015 13.631 ( 3.642 1.048 7.166) 8.106 13.765 ( -3.924 0.126 -5.786) 6.992 13.903 ( -2.007 6.468 2.453) 7.202 13.966 ( -1.715 6.902 4.335) 8.329 13.983 ( -0.666 5.922 -4.004) 7.179 14.089 ( 3.308 8.242 -6.026) 10.732 14.905 ( 2.648 -2.739 21.588) 21.921 15.317 ( 1.267 -11.871 -20.755) 23.944 15.983 ( 2.882 0.764 4.084) 5.056 16.025 ( 2.301 2.128 4.674) 5.628 16.061 ( -1.146 2.846 -1.032) 3.237 16.099 ( 0.778 3.664 0.936) 3.861 16.175 ( -2.656 1.411 -0.018) 3.008 16.212 ( -3.381 0.061 1.772) 3.817 16.248 ( -2.677 4.440 -6.768) 8.525 16.306 ( -4.018 3.360 -6.144) 8.073 17.665 ( 0.070 2.323 5.012) 5.525 17.736 ( -0.789 -0.032 -3.029) 3.131 18.123 ( 10.391 -0.079 13.404) 16.960 18.248 ( -3.275 -3.808 1.905) 5.372 18.352 ( -0.970 -5.041 -2.170) 5.574 18.433 ( -3.519 -5.043 -11.463) 13.008 18.823 ( 5.786 -7.739 4.032) 10.470 18.887 ( -3.506 -8.507 -2.765) 9.607 ======================= Grid point 124 (58/80) ======================= q-point: ( 0.17 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -2.776 0.850 -2.027) 3.541 1.403 ( 0.389 0.851 2.780) 2.934 1.612 ( 6.070 -10.163 -25.678) 28.275 1.921 ( 5.430 12.776 16.444) 21.519 1.951 ( -2.821 -0.982 1.205) 3.221 2.078 ( 2.129 11.720 5.830) 13.262 2.199 ( -6.238 6.799 5.105) 10.545 2.357 ( 3.407 1.877 3.877) 5.491 2.545 ( 0.757 3.825 -3.751) 5.410 2.571 ( -2.663 9.838 -1.906) 10.369 2.592 ( 4.938 6.753 1.163) 8.446 2.759 ( 7.877 9.703 -1.162) 12.552 2.887 ( 6.818 7.178 11.841) 15.434 2.953 ( -1.430 2.158 -6.044) 6.575 3.041 ( -2.501 5.836 -7.147) 9.560 3.058 ( 0.109 7.387 -1.649) 7.569 3.190 ( 0.540 5.869 -1.240) 6.023 3.276 ( 3.128 4.521 2.312) 5.964 3.413 ( -4.339 -7.108 -0.838) 8.370 3.562 ( -7.004 1.299 -1.530) 7.286 3.636 ( 2.794 -5.074 -1.814) 6.070 3.759 ( -4.867 6.022 0.688) 7.773 3.925 ( 6.462 0.955 9.892) 11.854 3.994 ( -1.379 7.600 -4.817) 9.103 4.101 ( -0.243 0.356 -2.301) 2.341 4.138 ( -0.125 -4.765 -7.136) 8.581 4.266 ( -1.669 1.338 -1.026) 2.372 4.366 ( -6.321 -2.857 -0.968) 7.004 4.439 ( -1.319 -0.047 -0.486) 1.407 4.511 ( -1.142 3.587 -1.634) 4.103 4.620 ( -1.398 -2.077 -3.032) 3.932 4.702 ( -2.139 -4.809 5.180) 7.385 4.715 ( -0.826 -4.172 4.127) 5.926 4.826 ( 4.071 -1.775 6.957) 8.254 4.866 ( 4.007 0.929 3.744) 5.562 4.982 ( 5.924 5.100 1.214) 7.911 5.086 ( 1.685 0.474 0.323) 1.780 5.130 ( 0.740 0.974 -3.258) 3.480 5.187 ( -7.055 1.094 -2.587) 7.594 5.289 ( -0.903 -4.964 3.972) 6.421 5.435 ( -2.594 2.968 -4.069) 5.665 5.498 ( 1.200 -2.967 3.069) 4.434 5.611 ( -6.630 -3.820 -1.486) 7.795 5.690 ( -2.928 -3.981 -6.142) 7.883 5.765 ( -3.506 -0.271 -4.852) 5.992 5.855 ( 0.404 -0.428 1.310) 1.436 5.938 ( -0.488 -1.966 3.758) 4.269 5.954 ( 5.809 -9.943 2.608) 11.807 5.985 ( -3.822 2.034 -5.292) 6.837 6.236 ( 5.158 -1.146 4.650) 7.038 6.516 ( -4.803 -1.938 1.655) 5.437 6.615 ( -9.001 3.844 -4.023) 10.583 6.661 ( -2.057 2.221 2.147) 3.711 6.802 ( -3.328 4.958 -1.465) 6.148 6.908 ( -0.088 -4.825 1.642) 5.098 6.934 ( -6.854 -11.952 2.837) 14.067 7.099 ( 1.578 -7.365 -1.158) 7.621 7.163 ( 3.450 -5.074 -1.323) 6.277 7.235 ( -0.940 -2.024 -1.933) 2.953 7.318 ( 1.923 1.957 5.049) 5.746 7.346 ( 3.484 -7.053 -0.361) 7.875 7.455 ( 3.080 1.858 -4.660) 5.887 7.514 ( 5.437 -0.523 -3.447) 6.458 7.606 ( -2.972 -1.095 3.831) 4.971 7.685 ( 4.467 4.066 -0.172) 6.043 7.822 ( 6.805 4.448 -1.230) 8.222 7.973 ( -1.126 -3.952 5.242) 6.660 8.094 ( -2.932 -6.712 -5.541) 9.184 8.142 ( 3.375 1.907 -0.346) 3.892 8.248 ( 4.308 -1.301 -5.459) 7.075 8.573 ( -2.891 -5.143 -2.203) 6.298 8.663 ( 1.949 1.029 3.362) 4.020 8.714 ( 3.019 5.150 -0.373) 5.982 8.737 ( 3.402 2.846 4.437) 6.274 8.865 ( -9.146 5.592 3.408) 11.249 9.000 ( -2.987 5.105 -5.609) 8.151 9.160 ( -2.523 -0.920 -3.052) 4.065 9.188 ( -0.891 -1.167 3.048) 3.383 9.263 ( -4.795 -1.748 5.149) 7.249 9.360 ( -0.909 2.424 -1.401) 2.944 12.159 ( -1.643 9.422 -0.233) 9.567 12.171 ( -1.083 9.608 0.147) 9.670 13.185 ( 2.075 -4.191 -2.176) 5.158 13.291 ( 5.662 -5.234 1.755) 7.908 13.646 ( -0.105 -2.420 -5.120) 5.664 13.811 ( 2.313 1.433 4.040) 4.871 13.906 ( -2.480 6.197 3.838) 7.700 13.965 ( 1.513 4.990 -1.686) 5.480 14.019 ( 9.339 4.011 4.442) 11.092 14.156 ( 7.800 11.053 -3.854) 14.066 14.988 ( -10.981 -9.208 -23.603) 27.613 15.058 ( -6.931 -1.463 16.839) 18.269 15.966 ( -1.537 -0.680 -2.760) 3.231 15.998 ( -2.117 -0.742 -4.099) 4.673 16.054 ( -0.692 1.655 4.897) 5.215 16.112 ( -0.942 3.088 3.196) 4.543 16.172 ( 0.111 3.387 -0.524) 3.429 16.201 ( 1.659 4.993 -0.623) 5.298 16.355 ( 9.592 1.192 5.617) 11.179 16.412 ( 9.098 0.550 6.036) 10.932 17.725 ( 2.755 0.256 -1.157) 2.999 17.751 ( 3.927 1.200 2.775) 4.956 18.047 ( -9.124 -4.688 -10.573) 14.731 18.270 ( -4.552 -3.461 -3.469) 6.688 18.356 ( 0.224 -5.788 -1.925) 6.104 18.427 ( 7.866 -0.258 11.534) 13.964 18.739 ( -6.569 -9.768 -4.139) 12.478 18.876 ( -3.145 -4.205 1.190) 5.384 ======================= Grid point 125 (59/80) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 22.362 7.112 -5.481) 24.097 1.593 ( 13.158 -13.260 -17.897) 25.871 1.613 ( -4.419 -2.017 16.721) 17.412 1.942 ( 1.763 -9.462 3.345) 10.189 2.069 ( -0.224 7.601 8.474) 11.385 2.163 ( 1.245 9.629 2.699) 10.077 2.194 ( -4.662 12.683 15.431) 20.511 2.407 ( -7.843 10.362 1.786) 13.117 2.454 ( 5.850 6.152 -3.419) 9.152 2.532 ( 3.139 2.212 -8.570) 9.391 2.644 ( 0.510 6.144 -3.065) 6.885 2.820 ( 0.061 3.000 -7.050) 7.662 2.829 ( -5.262 -0.265 0.885) 5.343 2.942 ( -1.601 3.829 -3.625) 5.510 3.007 ( 1.123 6.121 -4.781) 7.848 3.123 ( -8.305 3.566 -2.397) 9.351 3.281 ( 8.479 9.699 1.031) 12.923 3.309 ( -0.106 4.038 -1.178) 4.208 3.367 ( -1.350 -2.291 6.251) 6.793 3.442 ( -0.811 3.927 4.689) 6.170 3.611 ( 1.528 -3.004 -3.301) 4.718 3.730 ( -4.626 4.151 3.056) 6.927 3.921 ( 1.337 6.234 -7.878) 10.135 4.036 ( 2.608 -1.957 -7.296) 7.991 4.089 ( -1.748 -0.395 -0.663) 1.911 4.155 ( -7.252 -4.639 6.141) 10.575 4.201 ( 8.363 1.480 6.392) 10.630 4.280 ( 0.751 3.378 0.963) 3.593 4.424 ( -5.811 0.603 -0.804) 5.898 4.456 ( 0.348 2.135 -5.108) 5.547 4.608 ( -1.632 -3.602 3.405) 5.218 4.704 ( -3.925 -2.028 2.864) 5.265 4.746 ( 4.608 0.066 1.858) 4.969 4.922 ( 1.347 -0.844 0.749) 1.757 4.952 ( -2.102 0.512 -1.075) 2.416 5.027 ( 0.770 0.818 6.560) 6.656 5.076 ( 0.298 0.509 0.479) 0.759 5.144 ( 6.331 -1.523 3.325) 7.311 5.218 ( -1.467 2.152 0.492) 2.650 5.290 ( -6.243 -5.564 0.958) 8.417 5.360 ( 5.515 5.706 -1.630) 8.101 5.423 ( -1.180 -3.746 -2.934) 4.902 5.562 ( -4.728 -1.413 -3.042) 5.797 5.597 ( -3.674 -0.182 -4.009) 5.441 5.694 ( 1.214 -1.491 -1.336) 2.341 5.747 ( -3.651 4.636 -3.004) 6.622 5.873 ( -6.019 -7.734 3.120) 10.285 5.980 ( 1.793 1.969 0.691) 2.752 6.077 ( 3.093 -4.497 0.561) 5.487 6.277 ( -4.019 -0.515 -10.740) 11.478 6.388 ( -0.760 -3.511 4.152) 5.491 6.532 ( -9.174 8.684 3.219) 13.036 6.612 ( 1.949 1.530 -3.665) 4.424 6.707 ( 0.305 2.440 -1.924) 3.122 6.901 ( -3.271 -11.063 8.261) 14.189 6.980 ( 4.017 -8.077 0.278) 9.025 7.105 ( -0.296 -9.156 -0.597) 9.181 7.182 ( 0.359 -3.001 -4.883) 5.742 7.224 ( -0.019 -5.214 4.979) 7.210 7.319 ( -1.770 -1.995 -2.257) 3.494 7.376 ( 0.577 -8.355 -4.366) 9.444 7.429 ( -1.874 0.339 0.465) 1.960 7.622 ( 1.905 -7.279 4.711) 8.877 7.651 ( 8.928 4.219 -3.465) 10.465 7.776 ( 2.060 2.169 5.822) 6.545 7.912 ( 1.916 3.173 -0.698) 3.772 8.037 ( 1.247 -6.871 3.855) 7.977 8.073 ( 6.941 -0.604 -1.377) 7.102 8.154 ( 1.697 -1.812 -5.949) 6.446 8.300 ( 4.857 5.237 -3.581) 7.990 8.492 ( -2.446 -2.114 -2.379) 4.014 8.652 ( -9.530 3.547 -0.769) 10.198 8.743 ( -0.018 7.600 2.045) 7.871 8.774 ( 0.624 3.476 -1.080) 3.693 8.846 ( 2.519 0.613 -0.875) 2.736 8.905 ( 1.515 5.641 1.870) 6.133 9.038 ( -6.435 6.089 -2.185) 9.125 9.195 ( -0.922 -1.408 2.510) 3.022 9.220 ( -5.732 -2.091 3.596) 7.082 9.313 ( -1.616 4.433 -2.322) 5.259 12.133 ( -0.336 7.480 -0.320) 7.495 12.156 ( -1.259 8.011 0.594) 8.131 13.265 ( 4.458 -6.146 4.256) 8.704 13.381 ( 2.342 -5.971 1.591) 6.608 13.641 ( 4.576 -2.842 -4.054) 6.742 13.831 ( -1.749 2.273 2.947) 4.112 13.885 ( -1.738 2.607 1.296) 3.391 13.991 ( 0.941 6.585 1.531) 6.826 14.173 ( 3.191 14.914 -3.578) 15.666 14.463 ( 23.335 -1.609 3.775) 23.693 14.496 ( -14.650 -6.088 -22.306) 27.372 15.026 ( -12.497 0.742 13.486) 18.401 15.945 ( 1.501 -1.231 -1.053) 2.208 15.989 ( 2.247 -2.580 -1.047) 3.578 16.073 ( -1.480 1.538 3.347) 3.970 16.107 ( -0.553 3.584 -1.310) 3.856 16.183 ( 0.303 1.557 2.956) 3.354 16.229 ( 2.336 3.020 0.163) 3.821 16.497 ( -0.735 0.169 -0.271) 0.801 16.555 ( -0.343 -0.081 0.937) 1.002 17.799 ( 5.745 0.569 -1.635) 6.001 17.853 ( 3.227 -3.319 -0.602) 4.668 17.881 ( 1.984 -2.572 -0.379) 3.270 18.120 ( -7.566 -1.479 -3.126) 8.319 18.373 ( 3.223 -5.068 -0.350) 6.016 18.621 ( 1.731 -4.885 3.559) 6.287 18.646 ( 1.086 -5.881 2.769) 6.591 18.749 ( -9.483 -1.962 -0.589) 9.701 ======================= Grid point 126 (60/80) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -23.498 -7.892 15.150) 29.051 1.744 ( 19.139 -8.644 -14.247) 25.377 1.949 ( 23.786 3.805 8.483) 25.538 2.031 ( -12.632 3.945 3.898) 13.796 2.114 ( -0.292 1.732 11.667) 11.799 2.204 ( 1.288 6.105 6.854) 9.268 2.225 ( 1.174 7.793 3.945) 8.813 2.334 ( -16.023 8.025 -6.087) 18.925 2.375 ( 2.610 1.859 -5.862) 6.680 2.444 ( -4.472 4.327 -7.243) 9.549 2.657 ( 4.216 7.850 3.524) 9.582 2.756 ( -4.339 3.708 -3.354) 6.621 2.800 ( 0.830 2.916 2.103) 3.689 2.847 ( 2.763 4.393 -5.154) 7.314 2.919 ( 1.015 3.050 -4.132) 5.235 2.982 ( 0.805 2.569 -6.128) 6.693 3.300 ( -0.890 8.828 4.925) 10.148 3.348 ( -5.783 3.014 1.420) 6.674 3.356 ( 2.691 4.612 -0.011) 5.339 3.498 ( 1.545 -5.559 -4.111) 7.084 3.619 ( -0.142 0.220 -0.031) 0.263 3.690 ( 0.326 2.388 -4.796) 5.367 3.968 ( 6.182 0.955 5.114) 8.079 4.051 ( -2.093 1.515 2.928) 3.905 4.077 ( 2.049 0.441 -3.040) 3.693 4.108 ( -0.666 2.384 -0.880) 2.627 4.253 ( -0.900 0.586 -0.732) 1.300 4.288 ( -0.034 1.194 -4.242) 4.407 4.426 ( 1.145 0.736 0.665) 1.515 4.453 ( 1.448 2.953 -1.417) 3.581 4.591 ( 1.669 2.002 7.538) 7.976 4.695 ( 0.256 4.708 -0.405) 4.732 4.835 ( -3.189 -3.034 2.723) 5.176 4.880 ( 0.969 -2.915 -2.283) 3.828 4.979 ( 2.699 -3.189 0.914) 4.277 5.013 ( -5.903 -5.277 -0.234) 7.922 5.094 ( -2.255 -1.819 4.587) 5.426 5.176 ( 0.918 -1.429 -1.993) 2.618 5.225 ( 0.874 -1.049 3.181) 3.462 5.292 ( 4.893 -2.473 -1.204) 5.613 5.383 ( -1.471 2.137 0.995) 2.778 5.412 ( -3.380 1.270 -2.105) 4.179 5.536 ( 3.505 3.109 -1.165) 4.828 5.583 ( -0.114 -2.120 -2.148) 3.021 5.617 ( 5.069 0.389 0.114) 5.085 5.686 ( -6.166 0.372 -2.333) 6.603 5.843 ( -1.376 -1.419 7.505) 7.761 6.026 ( 0.966 2.619 -1.081) 2.993 6.036 ( -4.005 -3.692 -3.252) 6.344 6.151 ( 1.289 4.787 -5.061) 7.084 6.394 ( -6.832 5.896 5.176) 10.403 6.444 ( 3.722 5.240 0.155) 6.429 6.641 ( -4.352 -3.676 0.515) 5.720 6.692 ( 4.916 -2.733 -2.676) 6.229 6.963 ( 3.201 -6.030 2.725) 7.351 7.035 ( 1.737 -4.941 -3.481) 6.289 7.056 ( -3.963 -9.913 1.286) 10.753 7.123 ( 0.445 -9.370 -5.531) 10.890 7.259 ( -2.611 -4.642 2.392) 5.838 7.302 ( 1.922 -4.612 2.436) 5.559 7.365 ( 1.303 -10.752 -0.828) 10.862 7.393 ( -2.578 -5.205 2.219) 6.217 7.629 ( -6.397 -1.934 4.426) 8.016 7.794 ( 10.955 -1.075 -7.966) 13.587 7.866 ( -0.186 1.323 7.216) 7.338 7.938 ( 1.318 2.625 0.027) 2.937 8.036 ( -2.331 -3.664 -0.109) 4.344 8.133 ( 2.364 -2.752 -8.300) 9.058 8.243 ( 7.039 0.696 1.696) 7.274 8.281 ( -4.583 1.967 -1.654) 5.255 8.446 ( -0.027 4.610 0.620) 4.652 8.481 ( -3.655 4.237 -2.787) 6.252 8.738 ( -3.222 5.129 1.079) 6.152 8.758 ( 1.344 4.406 -1.482) 4.839 8.876 ( 0.106 4.237 1.483) 4.491 8.899 ( -2.576 8.960 -0.767) 9.354 9.057 ( 3.294 2.837 5.545) 7.046 9.123 ( -3.550 2.458 -0.946) 4.421 9.223 ( 2.061 -1.953 1.769) 3.345 9.265 ( -0.743 2.686 -2.677) 3.864 12.134 ( -0.258 6.779 0.389) 6.795 12.142 ( 0.471 7.444 -0.437) 7.472 13.383 ( 2.124 -9.355 4.120) 10.440 13.415 ( 0.304 -7.154 0.229) 7.164 13.754 ( 7.621 -2.239 2.216) 8.247 13.810 ( -3.459 0.470 -0.257) 3.501 13.885 ( 0.969 2.256 3.108) 3.960 13.973 ( -7.177 4.908 -3.084) 9.225 14.115 ( -2.652 2.273 -7.418) 8.200 14.155 ( 0.591 13.791 -6.208) 15.135 14.845 ( -16.560 2.699 7.119) 18.227 14.935 ( 22.501 -4.660 -1.938) 23.060 15.984 ( 1.416 0.583 2.153) 2.642 16.026 ( 0.761 0.380 0.252) 0.888 16.053 ( -2.344 1.587 -0.901) 2.971 16.070 ( -0.654 1.238 -2.230) 2.633 16.261 ( 3.887 -0.513 5.691) 6.911 16.317 ( 3.957 -0.449 6.476) 7.603 16.370 ( -5.948 -0.506 -5.427) 8.068 16.446 ( -5.605 -0.191 -5.773) 8.048 17.889 ( 2.333 -2.324 2.182) 3.950 17.932 ( 4.304 -2.088 0.272) 4.792 17.935 ( -8.106 0.244 -0.481) 8.124 17.951 ( 1.713 -1.239 -1.977) 2.894 18.490 ( 9.481 -3.811 0.712) 10.243 18.514 ( -10.233 -1.047 -1.791) 10.441 18.683 ( 1.845 -8.449 3.572) 9.357 18.721 ( 0.568 -3.679 -0.045) 3.723 ======================= Grid point 127 (61/80) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -24.172 -10.990 21.822) 34.370 1.393 ( -36.377 6.192 -9.115) 38.010 1.942 ( 11.714 -4.326 -12.237) 17.484 2.010 ( -12.506 14.349 9.557) 21.298 2.083 ( -5.449 -0.825 -3.483) 6.519 2.214 ( -4.302 4.229 7.060) 9.287 2.274 ( -2.955 5.237 2.962) 6.703 2.346 ( 0.508 1.599 0.875) 1.893 2.388 ( -2.264 8.139 0.171) 8.450 2.464 ( 12.584 5.525 -1.391) 13.813 2.669 ( 1.482 8.587 -2.012) 8.944 2.777 ( 0.286 8.382 4.846) 9.686 2.807 ( 2.607 4.681 -4.147) 6.775 2.935 ( 4.054 1.719 -4.938) 6.616 2.986 ( 5.580 -2.877 -2.893) 6.913 3.074 ( 13.129 4.772 1.780) 14.082 3.225 ( -3.386 5.248 0.939) 6.316 3.324 ( -1.145 4.434 1.313) 4.764 3.466 ( 3.324 4.651 -0.963) 5.798 3.478 ( 3.146 -1.072 3.438) 4.782 3.608 ( -2.801 -3.503 -1.679) 4.789 3.754 ( 7.357 1.570 -0.464) 7.537 3.849 ( -5.585 4.954 -1.717) 7.660 3.953 ( -3.531 2.309 -2.046) 4.689 4.139 ( 1.100 1.470 -4.425) 4.791 4.238 ( 5.257 -3.829 -2.438) 6.946 4.293 ( 3.426 0.799 1.577) 3.855 4.331 ( 5.875 -0.021 2.615) 6.431 4.334 ( -5.303 1.412 -4.031) 6.809 4.450 ( -0.247 3.633 -1.751) 4.041 4.664 ( 2.208 -1.639 -2.819) 3.938 4.744 ( -0.742 1.495 -1.597) 2.310 4.783 ( -1.463 -2.718 1.754) 3.550 4.861 ( -1.571 -0.169 3.973) 4.276 4.910 ( 0.562 -3.583 2.340) 4.316 5.039 ( -2.308 1.357 1.777) 3.213 5.131 ( -0.857 -3.792 2.970) 4.892 5.209 ( 0.385 1.244 -0.163) 1.313 5.234 ( 6.001 -1.441 2.045) 6.502 5.261 ( -2.534 -1.690 -8.438) 8.971 5.363 ( -2.629 1.123 2.525) 3.814 5.457 ( -4.761 -2.042 -7.140) 8.821 5.494 ( 2.952 -1.687 3.415) 4.819 5.523 ( 0.127 -2.486 0.412) 2.523 5.618 ( 4.252 1.131 1.196) 4.560 5.763 ( 2.276 1.954 1.413) 3.316 5.942 ( 1.632 -4.411 0.486) 4.729 5.950 ( -1.029 6.260 4.701) 7.896 6.037 ( 0.540 -1.433 0.019) 1.532 6.154 ( 1.938 0.920 1.145) 2.432 6.388 ( 0.314 1.588 4.654) 4.928 6.539 ( -5.437 -4.778 3.815) 8.182 6.570 ( 8.102 9.181 2.193) 12.439 6.725 ( 1.074 0.724 -5.553) 5.702 6.973 ( -2.810 -8.673 -1.293) 9.208 7.001 ( 0.075 -6.649 -1.624) 6.845 7.057 ( 0.192 -7.393 1.645) 7.576 7.155 ( 5.066 -6.036 -1.242) 7.977 7.225 ( -2.279 -3.788 5.031) 6.697 7.328 ( 1.431 -8.547 -3.439) 9.323 7.361 ( -0.934 -5.117 -2.589) 5.810 7.418 ( 0.896 -7.588 2.557) 8.057 7.532 ( -8.432 2.963 7.032) 11.372 7.810 ( 0.982 -1.953 -12.041) 12.237 7.872 ( -3.768 -1.549 -2.296) 4.677 7.886 ( -4.400 4.874 0.073) 6.567 8.048 ( 1.450 -1.428 4.007) 4.494 8.089 ( -6.739 -0.491 -2.383) 7.164 8.147 ( 2.465 -4.958 -5.581) 7.861 8.262 ( -3.603 4.397 0.037) 5.684 8.460 ( 0.868 0.709 0.371) 1.180 8.599 ( 10.047 5.491 4.380) 12.259 8.676 ( -2.301 1.388 3.905) 4.740 8.798 ( -0.018 8.090 0.199) 8.093 8.835 ( -1.804 2.030 0.456) 2.754 8.897 ( -2.357 5.206 1.965) 6.043 9.044 ( 1.036 5.529 -0.849) 5.689 9.195 ( 2.418 3.331 4.582) 6.159 9.232 ( 0.043 1.392 -1.151) 1.807 9.317 ( 6.693 -3.040 -2.077) 7.639 12.127 ( -0.262 6.498 0.195) 6.506 12.172 ( 3.038 9.572 -0.904) 10.083 13.371 ( -3.453 -8.959 -4.854) 10.759 13.413 ( -0.810 -9.406 -1.266) 9.525 13.617 ( -8.433 -0.749 -2.973) 8.973 13.844 ( 0.519 0.899 1.555) 1.870 13.880 ( -0.922 5.264 1.066) 5.450 14.062 ( 2.731 10.565 -1.009) 10.959 14.106 ( 0.829 7.188 2.523) 7.663 14.160 ( 8.475 0.349 8.466) 11.985 14.519 ( -19.092 4.532 -1.754) 19.701 15.253 ( 16.513 -8.091 -9.800) 20.837 15.957 ( -3.090 0.757 -2.573) 4.092 15.989 ( -2.859 -0.866 -0.687) 3.065 16.036 ( -0.770 2.772 3.969) 4.902 16.078 ( 0.414 2.437 1.698) 2.999 16.242 ( -2.299 0.680 -2.827) 3.707 16.306 ( -2.391 1.399 -5.265) 5.950 16.439 ( 6.099 -0.958 5.611) 8.342 16.500 ( 6.306 -1.300 6.888) 9.428 17.736 ( -11.053 3.017 2.335) 11.693 17.879 ( -3.841 -2.388 -1.239) 4.689 17.902 ( -3.265 -1.254 -2.240) 4.153 18.065 ( 6.485 -1.725 2.258) 7.080 18.382 ( -2.198 -2.949 -0.891) 3.784 18.667 ( -0.263 -6.175 -2.441) 6.646 18.692 ( 1.389 -5.035 -0.468) 5.244 18.743 ( 6.697 -6.173 0.055) 9.108 ======================= Grid point 128 (62/80) ======================= q-point: (-0.17 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -7.233 11.281 18.435) 22.791 1.015 ( -15.464 -11.530 31.965) 37.334 1.849 ( 1.464 -6.727 -20.471) 21.597 1.924 ( -9.563 17.860 14.609) 24.977 2.015 ( -2.937 3.106 -0.175) 4.279 2.185 ( -5.143 9.360 -1.668) 10.809 2.217 ( -1.997 5.324 3.759) 6.816 2.332 ( -3.798 8.072 3.432) 9.558 2.432 ( 4.810 2.146 4.025) 6.629 2.550 ( 0.755 9.321 -6.376) 11.318 2.706 ( -0.038 4.695 -3.502) 5.857 2.783 ( 1.035 8.681 0.631) 8.766 2.827 ( 1.057 1.630 -4.332) 4.748 2.925 ( -0.768 5.244 2.192) 5.735 3.008 ( 0.938 5.921 1.789) 6.256 3.177 ( -0.053 2.177 -3.294) 3.949 3.189 ( -1.299 7.948 -7.801) 11.212 3.409 ( 2.211 -0.970 -7.103) 7.502 3.450 ( 3.512 -3.813 -1.439) 5.380 3.484 ( 2.086 5.605 0.656) 6.017 3.629 ( 2.832 -1.716 1.619) 3.686 3.859 ( -0.881 4.401 -6.224) 7.674 3.902 ( 5.421 -2.367 7.114) 9.252 3.910 ( 2.942 5.168 3.819) 7.067 4.112 ( -2.199 0.751 -4.470) 5.038 4.142 ( -2.355 -2.323 -5.945) 6.803 4.264 ( -2.678 0.577 -0.206) 2.747 4.349 ( 7.054 -3.669 0.178) 7.953 4.438 ( 4.190 0.137 0.108) 4.193 4.519 ( 0.434 2.691 -2.054) 3.413 4.559 ( -2.342 -0.755 2.269) 3.347 4.745 ( 3.506 -4.010 -0.060) 5.327 4.822 ( -0.826 -2.835 -3.811) 4.821 4.850 ( -3.885 -0.957 0.890) 4.099 4.940 ( -2.776 -0.262 0.449) 2.824 5.045 ( -4.105 0.393 -1.811) 4.503 5.091 ( -1.877 0.538 -1.742) 2.616 5.129 ( 5.738 0.110 0.398) 5.753 5.167 ( -6.862 3.740 -6.881) 10.412 5.321 ( 3.836 2.513 3.984) 6.075 5.364 ( -0.184 -4.018 -0.792) 4.100 5.433 ( 4.796 -3.303 6.533) 8.752 5.564 ( 2.658 -7.827 7.793) 11.360 5.636 ( 3.346 0.693 -0.200) 3.423 5.696 ( 3.102 -0.329 -2.065) 3.741 5.829 ( 6.004 0.569 4.445) 7.492 5.908 ( -3.388 -5.314 2.089) 6.639 5.990 ( 1.059 -0.537 -2.291) 2.580 6.028 ( -3.931 -0.951 -1.473) 4.304 6.232 ( 1.314 1.694 4.412) 4.905 6.440 ( 0.971 1.703 7.055) 7.323 6.586 ( 5.237 -4.360 -2.274) 7.184 6.700 ( 3.909 0.734 1.495) 4.249 6.769 ( 8.111 5.066 3.333) 10.127 6.864 ( -7.608 -3.748 0.167) 8.483 7.000 ( 1.019 -12.282 0.278) 12.328 7.093 ( 0.825 -5.557 0.152) 5.620 7.159 ( 0.475 -2.555 0.093) 2.600 7.283 ( 0.391 -2.514 -7.887) 8.288 7.317 ( -1.822 -6.069 0.384) 6.349 7.357 ( 4.665 3.058 4.821) 7.372 7.405 ( -1.719 -4.014 -0.755) 4.432 7.470 ( -4.359 2.566 2.168) 5.504 7.666 ( -7.320 0.481 -2.214) 7.663 7.722 ( -3.049 -1.246 -5.795) 6.666 7.830 ( -4.965 2.009 -1.142) 5.477 7.953 ( -2.791 -0.750 2.914) 4.104 8.109 ( 2.494 -2.985 0.143) 3.893 8.162 ( -3.481 4.012 -3.261) 6.233 8.191 ( 3.326 -8.141 -2.225) 9.071 8.513 ( 2.313 -3.386 3.242) 5.228 8.680 ( -3.128 2.937 3.315) 5.422 8.723 ( -2.625 2.821 -1.990) 4.337 8.799 ( -0.778 0.899 -0.657) 1.358 8.850 ( 5.295 8.346 4.625) 10.912 8.911 ( 2.928 5.455 2.665) 6.740 9.082 ( 0.918 1.767 2.280) 3.027 9.224 ( 0.909 -1.082 0.066) 1.415 9.298 ( 1.847 -0.146 4.374) 4.750 9.388 ( 4.187 -2.392 -5.441) 7.270 12.133 ( 0.306 7.420 0.950) 7.487 12.232 ( 5.347 12.745 -4.676) 14.591 13.190 ( -7.496 -4.363 -3.384) 9.310 13.345 ( -3.509 -8.353 -3.432) 9.688 13.550 ( -1.056 0.258 4.193) 4.331 13.849 ( -1.246 2.371 0.633) 2.752 13.904 ( 0.309 7.661 3.471) 8.416 13.995 ( -1.935 6.236 -4.983) 8.214 14.103 ( -4.238 5.564 -2.195) 7.331 14.162 ( -9.509 7.316 -4.975) 12.988 14.553 ( 11.261 -2.393 20.151) 23.208 15.376 ( 9.887 -10.743 -14.984) 20.921 15.924 ( 0.857 0.996 0.970) 1.633 15.943 ( -0.863 -1.332 1.354) 2.086 16.061 ( -1.123 4.168 4.552) 6.273 16.094 ( -0.652 3.339 1.763) 3.832 16.198 ( -0.486 2.025 -1.804) 2.755 16.244 ( 0.408 1.628 -4.460) 4.765 16.470 ( -6.250 1.622 -5.231) 8.310 16.539 ( -5.489 0.419 -5.728) 7.944 17.645 ( -4.633 3.589 8.664) 10.460 17.800 ( -2.676 -1.346 -1.754) 3.471 17.865 ( 3.055 -0.020 4.266) 5.247 18.196 ( 3.778 -3.026 3.763) 6.131 18.363 ( 0.743 -5.592 -1.497) 5.837 18.614 ( -3.406 -5.002 -6.975) 9.235 18.665 ( 3.073 -7.641 2.880) 8.725 18.890 ( 4.828 -6.442 -0.217) 8.053 ======================= Grid point 129 (63/80) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 7.310 14.993 12.242) 20.690 1.548 ( -1.090 -0.074 -21.941) 21.968 1.688 ( 20.006 15.213 23.627) 34.495 2.064 ( -9.307 9.953 -3.916) 14.178 2.122 ( 0.886 3.936 -4.518) 6.057 2.149 ( -6.051 4.535 -9.487) 12.132 2.449 ( -2.867 12.652 6.845) 14.668 2.467 ( -2.542 8.171 2.723) 8.980 2.621 ( -2.150 10.855 -0.439) 11.075 2.679 ( 3.196 9.038 -4.433) 10.562 2.834 ( 2.845 8.763 2.229) 9.479 2.894 ( -2.200 7.902 2.601) 8.605 3.004 ( 1.402 7.510 2.846) 8.153 3.104 ( -3.150 3.623 -4.405) 6.516 3.178 ( 3.612 5.713 3.389) 7.562 3.184 ( -4.192 4.081 1.731) 6.101 3.305 ( -0.004 2.392 -1.335) 2.739 3.358 ( -0.798 6.655 -1.751) 6.928 3.465 ( 3.815 4.716 -2.571) 6.588 3.546 ( -2.079 5.506 -5.875) 8.316 3.670 ( 1.020 -1.837 5.896) 6.259 3.799 ( -2.532 -5.119 -6.029) 8.305 3.982 ( -4.581 4.700 3.500) 7.438 4.016 ( 3.482 0.091 -0.782) 3.570 4.093 ( 3.078 3.923 1.433) 5.188 4.113 ( 1.391 0.156 -2.462) 2.832 4.296 ( 2.225 0.645 3.111) 3.878 4.340 ( -0.720 -1.439 -0.565) 1.705 4.457 ( -3.587 -6.088 4.993) 8.653 4.563 ( 3.261 -1.411 4.607) 5.818 4.575 ( -0.213 -3.183 -5.579) 6.426 4.667 ( 0.726 1.666 -3.201) 3.681 4.759 ( -4.864 0.903 1.313) 5.118 4.820 ( -4.255 1.247 -3.500) 5.649 4.868 ( 8.267 1.462 -0.312) 8.401 4.926 ( -5.627 2.581 -6.574) 9.030 5.046 ( 1.590 -2.018 4.703) 5.359 5.102 ( -0.916 0.707 -0.187) 1.172 5.205 ( 0.030 -1.020 0.560) 1.164 5.257 ( -0.082 -2.320 -2.467) 3.387 5.433 ( -0.197 -1.749 2.814) 3.319 5.448 ( 1.720 -3.640 0.842) 4.113 5.527 ( -7.725 -11.863 3.307) 14.538 5.581 ( 8.084 -5.414 0.922) 9.773 5.739 ( 5.559 -5.079 0.479) 7.545 5.762 ( -4.953 -2.538 -2.001) 5.914 5.833 ( -1.529 0.857 0.618) 1.859 5.892 ( 1.728 -1.500 -1.961) 3.014 6.068 ( 1.393 -0.157 4.520) 4.732 6.201 ( -2.641 -1.724 -7.148) 7.813 6.496 ( -0.039 -9.772 8.704) 13.086 6.584 ( 1.104 -10.086 0.318) 10.152 6.661 ( -3.498 -5.336 4.598) 7.865 6.756 ( 0.228 -7.875 -5.075) 9.372 6.839 ( 0.694 -0.437 3.209) 3.312 6.917 ( 5.991 2.395 -4.465) 7.846 7.025 ( -2.572 -6.163 -0.684) 6.713 7.036 ( -0.236 -1.580 -2.339) 2.832 7.174 ( 1.322 -3.884 0.200) 4.108 7.184 ( -0.800 -5.107 -0.908) 5.249 7.321 ( -0.131 -1.001 -0.384) 1.080 7.370 ( 0.593 -1.503 -4.092) 4.400 7.576 ( -7.644 3.851 7.198) 11.183 7.648 ( 3.376 3.116 1.288) 4.771 7.713 ( 2.114 -0.418 0.421) 2.195 7.773 ( 2.288 4.338 -3.671) 6.126 7.975 ( -3.614 1.458 4.952) 6.302 8.076 ( 9.287 -4.801 -4.400) 11.343 8.165 ( 1.705 3.307 -1.359) 3.961 8.180 ( -2.710 5.320 -2.339) 6.412 8.554 ( -0.382 2.283 4.757) 5.291 8.641 ( -2.330 1.139 -3.305) 4.201 8.733 ( -0.637 1.740 2.723) 3.294 8.798 ( -2.868 3.778 -2.868) 5.543 8.982 ( 1.029 -1.214 7.533) 7.699 9.120 ( -0.986 0.989 -4.077) 4.309 9.170 ( -4.591 4.670 4.228) 7.795 9.252 ( 1.375 3.241 2.630) 4.394 9.267 ( -0.243 1.037 -0.155) 1.076 9.358 ( 3.926 -1.637 -4.624) 6.283 12.338 ( -0.698 8.740 4.170) 9.710 12.451 ( 1.373 8.864 -8.017) 12.030 13.070 ( 2.585 -5.185 1.501) 5.985 13.101 ( -2.083 -7.387 -1.680) 7.857 13.660 ( 4.680 2.050 5.547) 7.541 13.779 ( -6.181 1.382 -6.374) 8.986 13.999 ( -0.711 3.044 3.120) 4.417 14.066 ( -1.672 2.278 -1.719) 3.307 14.181 ( -8.803 12.184 6.689) 16.453 14.327 ( 9.178 14.732 -7.432) 18.882 14.875 ( 9.829 0.606 10.204) 14.181 15.069 ( -4.854 -11.587 -9.551) 15.781 15.996 ( 3.428 0.537 3.797) 5.143 16.067 ( 3.371 -0.418 1.439) 3.689 16.072 ( -1.490 1.265 0.988) 2.190 16.154 ( -2.340 0.062 -0.412) 2.377 16.205 ( -2.000 2.495 2.960) 4.357 16.248 ( -0.445 2.772 4.662) 5.442 16.337 ( -4.685 3.442 -8.148) 10.010 16.362 ( -3.278 1.980 -6.024) 7.138 17.725 ( -0.028 3.255 1.111) 3.439 17.739 ( -0.621 0.607 -0.499) 1.001 18.124 ( 9.361 -1.272 6.442) 11.434 18.153 ( 0.638 -3.823 3.272) 5.072 18.223 ( 0.443 -7.212 -1.960) 7.486 18.304 ( -7.699 -7.077 -7.380) 12.800 18.663 ( 7.554 -7.986 0.814) 11.023 18.678 ( -5.203 -11.287 -0.697) 12.448 ======================= Grid point 130 (64/80) ======================= q-point: ( 0.17 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 4.668 -2.691 -21.601) 22.263 1.492 ( 10.362 13.109 10.142) 19.547 1.629 ( -8.124 10.679 -23.529) 27.086 1.933 ( -9.175 1.748 1.568) 9.471 2.193 ( 4.094 9.575 4.602) 11.385 2.234 ( 6.966 5.942 10.106) 13.637 2.364 ( -5.886 9.848 1.712) 11.600 2.489 ( -0.720 9.221 5.299) 10.660 2.637 ( 1.989 7.562 -3.551) 8.587 2.751 ( 4.816 7.797 1.279) 9.253 2.806 ( -3.202 8.102 -3.805) 9.507 2.941 ( -4.700 6.525 -0.220) 8.045 2.955 ( -0.407 3.653 -0.711) 3.743 3.095 ( -5.739 -0.448 0.419) 5.771 3.104 ( 3.548 9.691 9.958) 14.341 3.211 ( 0.309 6.629 -1.697) 6.850 3.289 ( -2.658 2.193 2.255) 4.118 3.340 ( 1.371 5.960 1.561) 6.312 3.485 ( 0.799 9.427 -7.364) 11.989 3.562 ( 2.972 1.689 3.561) 4.936 3.625 ( -0.139 1.397 -1.697) 2.202 3.853 ( -7.455 4.671 4.093) 9.703 3.924 ( 7.396 -2.350 3.477) 8.504 4.046 ( -0.556 -1.916 -3.803) 4.295 4.102 ( 2.832 2.814 -1.176) 4.162 4.138 ( -0.886 2.013 -4.193) 4.735 4.288 ( -0.546 0.975 -0.465) 1.211 4.356 ( -4.167 3.812 -3.158) 6.471 4.388 ( -2.967 -5.435 2.685) 6.749 4.581 ( -2.795 -3.476 -0.252) 4.467 4.595 ( 1.741 3.479 -2.128) 4.435 4.638 ( 2.882 0.343 0.473) 2.941 4.698 ( -3.342 2.425 3.189) 5.218 4.789 ( 3.334 -1.532 3.906) 5.359 4.883 ( 2.936 -0.219 1.426) 3.272 5.037 ( 1.991 -2.408 -0.641) 3.190 5.063 ( 0.983 -1.287 -0.985) 1.896 5.156 ( 3.631 -0.414 1.196) 3.845 5.185 ( -4.065 -2.368 2.315) 5.243 5.189 ( 0.973 1.938 -1.265) 2.510 5.387 ( -4.902 -5.439 0.162) 7.324 5.451 ( 0.337 -1.882 0.658) 2.022 5.547 ( 2.041 -2.358 -0.186) 3.124 5.620 ( -2.787 -2.774 -3.162) 5.046 5.725 ( 0.581 -6.213 -2.360) 6.671 5.778 ( 0.487 -4.042 1.779) 4.443 5.860 ( 4.202 -3.133 1.811) 5.545 5.872 ( -0.647 -1.448 -2.491) 2.953 6.053 ( -6.061 2.337 -5.647) 8.607 6.155 ( 0.660 -6.810 7.099) 9.859 6.439 ( -5.862 -4.692 -3.343) 8.219 6.570 ( -4.086 -12.998 4.536) 14.360 6.669 ( 0.654 -5.442 2.990) 6.243 6.724 ( -0.815 -0.764 0.822) 1.387 6.812 ( -1.230 -2.629 -2.480) 3.818 6.902 ( -2.840 0.257 -5.157) 5.893 6.969 ( -4.355 -2.481 1.410) 5.207 7.081 ( 4.533 -0.649 -0.622) 4.621 7.163 ( -0.974 -5.807 -1.294) 6.029 7.191 ( 0.856 -5.893 0.451) 5.972 7.339 ( -1.098 -2.402 2.573) 3.687 7.390 ( 3.521 -4.546 -2.243) 6.172 7.562 ( -0.288 3.338 1.682) 3.749 7.637 ( -2.146 2.803 -3.142) 4.726 7.717 ( 0.619 -2.734 6.517) 7.094 7.897 ( 1.795 0.996 -6.567) 6.880 7.924 ( 5.260 2.731 -1.758) 6.182 8.052 ( -0.571 1.773 -4.370) 4.750 8.178 ( 2.186 2.122 -4.798) 5.683 8.269 ( 7.683 3.085 1.799) 8.473 8.504 ( -4.228 -0.241 0.944) 4.339 8.693 ( 1.934 1.969 3.740) 4.648 8.774 ( 3.691 2.403 1.046) 4.526 8.820 ( 2.707 2.861 5.574) 6.825 8.963 ( -6.875 2.601 0.059) 7.351 9.060 ( -2.802 3.448 -4.100) 6.046 9.119 ( -2.865 -0.945 7.010) 7.631 9.206 ( -5.088 -3.068 3.800) 7.053 9.292 ( 1.294 5.976 -4.754) 7.745 9.416 ( 4.942 4.081 -3.508) 7.306 12.346 ( -2.829 8.431 3.655) 9.615 12.376 ( -1.531 10.071 -4.505) 11.138 13.073 ( 0.698 -6.759 -0.618) 6.823 13.164 ( 5.420 -7.139 -0.419) 8.973 13.620 ( -2.779 -0.120 -3.507) 4.477 13.858 ( 3.902 2.576 5.181) 6.979 13.988 ( 1.521 -1.188 2.815) 3.413 14.042 ( -6.409 6.230 3.101) 9.461 14.145 ( 4.241 7.878 6.559) 11.094 14.466 ( 10.491 18.023 -7.353) 22.112 14.773 ( -12.689 -10.950 -14.750) 22.326 15.070 ( 2.475 3.418 5.316) 6.788 15.952 ( -3.013 -0.323 -2.056) 3.662 15.996 ( -4.758 0.159 -4.557) 6.590 16.091 ( 0.011 1.223 4.209) 4.383 16.156 ( -1.014 0.786 5.225) 5.380 16.224 ( -0.595 1.249 -2.711) 3.044 16.278 ( 0.133 2.199 -1.452) 2.639 16.394 ( 8.012 2.608 7.414) 11.223 16.430 ( 7.996 1.267 5.936) 10.039 17.730 ( 0.281 -0.122 1.400) 1.433 17.781 ( 3.689 1.822 0.234) 4.121 17.939 ( -11.563 -5.126 -6.501) 14.222 18.164 ( -2.963 -8.398 -2.382) 9.219 18.201 ( -1.866 -7.871 -1.014) 8.152 18.428 ( 10.200 0.369 4.843) 11.297 18.518 ( -6.993 -11.172 -1.143) 13.229 18.775 ( 2.268 -5.521 -2.247) 6.377 ======================= Grid point 131 (65/80) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 16.606 -8.382 -18.797) 26.446 1.535 ( 16.795 11.373 -5.123) 20.920 1.702 ( -9.703 8.675 2.816) 13.316 1.837 ( 6.953 1.615 5.568) 9.053 2.159 ( -4.674 1.739 6.865) 8.485 2.337 ( -0.064 5.031 0.506) 5.057 2.424 ( 3.975 10.482 3.187) 11.655 2.508 ( -0.836 1.807 -5.193) 5.562 2.593 ( -4.036 5.232 3.497) 7.477 2.684 ( -5.141 11.307 1.617) 12.526 2.736 ( -7.759 2.376 0.097) 8.115 2.880 ( -1.056 6.460 1.454) 6.705 2.945 ( 2.451 8.184 -2.711) 8.963 3.004 ( -2.996 2.059 -1.636) 3.987 3.175 ( 0.212 8.045 -3.335) 8.711 3.215 ( -5.808 5.073 -4.353) 8.855 3.345 ( -2.619 3.179 1.881) 4.528 3.385 ( 3.296 2.059 8.067) 8.954 3.464 ( 4.601 4.383 -6.132) 8.831 3.510 ( -7.239 5.487 3.306) 9.667 3.644 ( 3.025 4.136 -1.319) 5.292 3.822 ( -4.966 5.975 5.634) 9.597 4.006 ( 4.319 -0.695 -4.802) 6.496 4.044 ( -2.824 0.779 -1.376) 3.236 4.065 ( 2.180 0.056 4.340) 4.857 4.133 ( -3.325 6.684 -5.097) 9.040 4.237 ( 4.415 3.093 5.264) 7.535 4.338 ( 4.080 1.875 0.976) 4.595 4.406 ( -4.546 -3.894 5.195) 7.926 4.493 ( 0.651 1.793 -6.349) 6.629 4.574 ( -2.076 2.130 -1.243) 3.223 4.694 ( -0.704 1.104 4.523) 4.708 4.744 ( 6.901 -0.662 -2.529) 7.380 4.907 ( 3.226 -1.991 -1.937) 4.258 4.974 ( -1.438 0.348 -0.853) 1.708 5.014 ( 2.587 -3.762 6.784) 8.177 5.032 ( -2.321 -3.452 0.073) 4.160 5.131 ( 1.035 1.901 -0.152) 2.170 5.192 ( -2.758 -1.781 -0.299) 3.297 5.230 ( -4.516 -2.772 -2.788) 5.988 5.348 ( 2.024 0.093 2.124) 2.936 5.426 ( 3.459 -2.216 0.399) 4.127 5.570 ( -1.957 3.169 -5.872) 6.953 5.601 ( 2.092 -0.379 -0.189) 2.135 5.648 ( -2.850 -1.300 -1.290) 3.388 5.737 ( -3.532 -5.963 2.790) 7.471 5.847 ( -3.425 3.764 -3.346) 6.091 5.963 ( 4.061 -5.890 4.598) 8.504 5.994 ( 2.042 -1.294 1.677) 2.942 6.198 ( -2.355 -9.485 1.616) 9.906 6.315 ( 1.191 -1.649 -3.347) 3.917 6.610 ( -3.268 -12.549 3.864) 13.531 6.661 ( 0.268 -1.769 2.242) 2.869 6.693 ( -0.711 2.001 -3.286) 3.913 6.771 ( -5.624 4.912 -1.289) 7.578 6.811 ( 1.549 -6.522 0.605) 6.730 6.931 ( -1.255 -5.364 0.228) 5.514 7.113 ( -1.451 -4.425 2.315) 5.200 7.154 ( 3.016 -1.474 -4.898) 5.938 7.185 ( -2.946 -8.072 -0.643) 8.616 7.278 ( -2.962 -2.235 -3.602) 5.171 7.426 ( -9.272 -5.092 6.841) 12.597 7.483 ( 5.768 -2.800 -5.853) 8.681 7.639 ( 1.505 -2.929 -2.165) 3.941 7.835 ( 3.162 2.708 4.383) 6.045 7.847 ( 1.275 -3.426 1.326) 3.888 7.976 ( 5.663 -4.068 -8.432) 10.941 8.126 ( 2.595 2.401 -0.734) 3.611 8.174 ( 5.614 4.499 -1.560) 7.362 8.419 ( 4.382 6.124 -0.048) 7.531 8.443 ( -1.672 -1.985 1.591) 3.044 8.694 ( -6.015 0.738 1.420) 6.224 8.824 ( -3.322 -1.126 1.595) 3.853 8.839 ( -0.890 2.397 -1.626) 3.030 8.926 ( 3.709 9.927 -0.258) 10.601 9.030 ( 1.502 5.182 3.997) 6.715 9.142 ( -3.128 1.135 7.713) 8.400 9.151 ( -2.017 -2.601 0.139) 3.294 9.242 ( -1.689 7.098 -3.031) 7.900 9.439 ( 2.010 7.256 -5.499) 9.324 12.311 ( -1.515 9.319 -0.024) 9.442 12.329 ( -1.648 8.931 -0.037) 9.082 13.113 ( 2.061 -8.586 2.683) 9.228 13.235 ( 3.200 -8.336 -2.106) 9.174 13.597 ( 3.043 -1.240 -1.211) 3.502 13.868 ( -2.811 0.010 2.612) 3.837 13.953 ( -3.923 3.130 0.800) 5.082 14.127 ( 2.101 7.041 9.082) 11.682 14.323 ( -10.473 -7.609 -10.470) 16.649 14.462 ( 11.275 3.145 4.406) 12.507 14.541 ( 6.371 17.732 -8.580) 20.703 15.094 ( -3.045 6.512 0.915) 7.247 15.926 ( 0.961 -0.625 0.441) 1.229 15.945 ( 1.630 -1.429 0.074) 2.170 16.114 ( -1.637 1.552 3.812) 4.429 16.170 ( -0.909 1.984 -0.134) 2.187 16.197 ( -1.367 -0.281 2.506) 2.869 16.263 ( 0.182 0.240 -1.227) 1.263 16.497 ( -2.227 -0.292 -2.086) 3.065 16.549 ( -1.365 -0.660 -0.764) 1.698 17.722 ( -1.870 -7.595 4.208) 8.882 17.818 ( 3.225 1.095 -0.692) 3.475 17.863 ( 4.126 -0.421 -0.577) 4.187 18.071 ( -4.393 -3.633 -3.156) 6.516 18.210 ( 3.282 -10.845 4.026) 12.025 18.429 ( -2.422 -9.387 3.280) 10.234 18.609 ( 5.776 -1.172 -0.482) 5.913 18.701 ( -5.533 -2.606 -5.366) 8.137 ======================= Grid point 132 (66/80) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -17.841 4.759 0.404) 18.469 1.558 ( 21.718 -8.603 -15.025) 27.774 2.010 ( 18.110 3.371 6.634) 19.580 2.033 ( -0.325 3.494 3.044) 4.646 2.193 ( 0.221 1.601 8.200) 8.357 2.301 ( 0.338 2.218 -0.610) 2.325 2.389 ( 2.742 1.813 -8.577) 9.185 2.417 ( -9.834 10.151 -4.641) 14.876 2.554 ( -5.578 7.254 5.780) 10.823 2.595 ( -5.053 8.797 -2.382) 10.421 2.705 ( 1.990 3.255 8.262) 9.100 2.847 ( -1.166 7.645 -1.966) 7.979 2.943 ( -2.693 7.307 1.793) 7.991 2.980 ( 4.741 6.938 -2.256) 8.700 3.083 ( 1.457 9.786 -2.964) 10.328 3.121 ( -0.835 9.491 -5.497) 10.999 3.285 ( -3.367 -3.549 2.962) 5.719 3.345 ( -4.542 -1.843 -0.053) 4.901 3.455 ( -4.275 0.985 0.859) 4.470 3.504 ( 3.128 5.519 -1.578) 6.537 3.731 ( 3.331 5.762 3.521) 7.530 3.789 ( -2.890 7.483 1.320) 8.130 3.966 ( -2.235 2.222 3.140) 4.449 4.058 ( 2.132 1.718 -2.392) 3.635 4.122 ( 6.674 4.772 1.340) 8.314 4.190 ( -2.404 2.091 3.718) 4.896 4.251 ( -2.800 -0.443 -4.997) 5.745 4.330 ( 2.286 1.602 -4.481) 5.280 4.431 ( 0.434 0.459 3.641) 3.695 4.505 ( 0.125 2.671 -3.233) 4.195 4.605 ( 4.729 -0.585 9.857) 10.948 4.750 ( 1.295 -0.495 -0.979) 1.697 4.817 ( -2.049 0.422 -1.208) 2.416 4.856 ( -4.228 -0.549 -5.288) 6.793 4.889 ( 2.827 -3.115 -0.492) 4.235 4.948 ( -3.365 0.284 -3.095) 4.581 5.088 ( -2.487 0.806 5.658) 6.233 5.151 ( -1.683 -4.343 2.783) 5.426 5.175 ( 3.596 -0.227 -3.066) 4.732 5.205 ( 4.487 -5.329 -2.050) 7.261 5.406 ( -1.264 0.668 1.649) 2.182 5.450 ( -3.077 1.710 1.396) 3.787 5.526 ( 1.462 -2.203 -3.761) 4.598 5.547 ( 1.289 -0.869 -2.546) 2.983 5.659 ( -7.901 -1.226 2.417) 8.353 5.702 ( 7.430 4.584 -0.680) 8.757 5.863 ( 1.295 1.738 4.394) 4.900 5.969 ( -1.899 -2.848 -0.895) 3.538 6.031 ( -2.138 -2.266 4.697) 5.636 6.174 ( 2.328 -4.850 -6.674) 8.572 6.410 ( 2.364 -6.418 5.368) 8.695 6.486 ( -6.858 -1.841 0.600) 7.127 6.659 ( -1.621 4.330 3.092) 5.562 6.683 ( 0.996 2.554 -2.093) 3.449 6.799 ( 6.641 -8.880 3.876) 11.747 6.843 ( -1.036 -6.792 0.471) 6.887 6.897 ( 0.632 -5.237 -2.291) 5.751 6.994 ( -4.849 -7.413 -11.151) 14.241 7.147 ( 2.123 -5.511 0.589) 5.936 7.168 ( 0.773 -4.292 -2.180) 4.876 7.246 ( -3.439 -2.566 5.590) 7.047 7.339 ( -1.447 -1.731 0.447) 2.300 7.543 ( -0.313 -5.091 0.955) 5.189 7.655 ( 5.823 -8.650 -5.680) 11.874 7.893 ( 0.541 1.492 4.843) 5.096 7.943 ( 3.362 -1.506 -1.157) 3.861 7.970 ( -1.353 -4.830 -0.870) 5.091 8.088 ( 0.573 -2.764 -9.355) 9.771 8.310 ( 3.161 4.370 4.310) 6.904 8.353 ( -4.794 3.890 0.426) 6.188 8.539 ( 3.943 4.323 2.829) 6.499 8.574 ( -4.504 4.705 -0.564) 6.537 8.763 ( -4.772 -0.775 -0.073) 4.836 8.809 ( 3.537 0.964 -4.529) 5.827 8.986 ( -3.437 4.349 7.208) 9.093 9.076 ( -0.208 6.588 0.687) 6.627 9.123 ( -0.939 2.674 2.047) 3.496 9.156 ( 1.198 2.475 -0.819) 2.869 9.256 ( 2.701 6.861 4.102) 8.438 9.387 ( -0.618 8.283 -7.268) 11.037 12.293 ( -1.543 8.417 1.214) 8.643 12.319 ( 1.982 9.521 -1.538) 9.846 13.176 ( 0.504 -10.766 3.680) 11.389 13.246 ( 1.125 -9.348 -3.591) 10.077 13.707 ( 6.515 -1.973 3.354) 7.589 13.794 ( -6.176 -1.807 -4.310) 7.745 13.931 ( 0.365 0.830 3.737) 3.846 14.010 ( -6.503 -1.286 -4.788) 8.177 14.244 ( -0.845 10.452 11.188) 15.334 14.486 ( 1.621 18.793 -12.827) 22.811 14.850 ( 14.588 -2.569 6.883) 16.333 14.967 ( -8.467 9.264 -5.383) 13.656 15.999 ( 3.311 0.582 4.040) 5.256 16.021 ( 3.476 -0.662 3.343) 4.868 16.083 ( -3.652 1.514 -0.971) 4.071 16.103 ( -3.359 1.152 -4.728) 5.913 16.239 ( 1.192 -1.599 5.342) 5.702 16.288 ( 0.998 -2.753 6.470) 7.102 16.346 ( -4.339 -2.125 -5.877) 7.608 16.428 ( -3.923 -1.883 -6.609) 7.913 17.801 ( 0.883 -5.590 6.706) 8.775 17.896 ( 3.004 -1.586 0.863) 3.506 17.914 ( 3.039 -2.024 -2.114) 4.219 17.946 ( -4.533 -0.117 -3.999) 6.046 18.378 ( 8.234 -7.599 5.483) 12.475 18.473 ( -2.844 -6.287 2.850) 7.466 18.504 ( -5.023 -4.475 -0.871) 6.783 18.640 ( 1.227 -3.994 -6.906) 8.071 ======================= Grid point 133 (67/80) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -13.188 8.402 3.251) 15.972 1.584 ( -26.917 11.938 -8.661) 30.693 1.849 ( 19.157 -4.524 -12.028) 23.068 1.996 ( -6.363 0.707 -8.285) 10.470 2.254 ( -3.071 2.548 1.731) 4.350 2.333 ( 2.048 2.015 -5.329) 6.054 2.371 ( -1.529 10.995 3.497) 11.638 2.436 ( -0.455 2.729 5.589) 6.236 2.548 ( 0.546 11.793 10.269) 15.647 2.688 ( 8.727 12.509 1.600) 15.336 2.763 ( 1.455 1.506 -4.374) 4.849 2.881 ( 3.618 4.040 5.209) 7.520 2.927 ( 0.261 5.425 -2.552) 6.001 3.046 ( 0.922 9.292 -7.434) 11.936 3.089 ( 3.077 8.790 3.904) 10.098 3.194 ( 9.535 3.973 -1.358) 10.418 3.276 ( -7.240 3.949 9.100) 12.281 3.342 ( 4.811 -3.395 5.368) 7.968 3.460 ( 5.564 -3.923 -1.182) 6.910 3.522 ( -1.466 8.167 2.281) 8.606 3.681 ( -5.912 5.746 -2.009) 8.485 3.878 ( 7.130 9.257 3.271) 12.134 3.931 ( -6.734 4.055 1.941) 8.097 4.022 ( -1.246 4.744 -6.372) 8.042 4.111 ( 3.027 -2.553 -2.329) 4.594 4.222 ( -1.092 0.897 -3.826) 4.079 4.288 ( 0.848 -1.293 3.727) 4.035 4.324 ( 3.046 0.161 0.271) 3.062 4.365 ( -4.329 1.326 -0.381) 4.544 4.522 ( -1.722 3.557 -4.843) 6.251 4.634 ( -0.549 -1.475 -6.403) 6.594 4.692 ( -3.970 -3.629 3.078) 6.197 4.750 ( 2.095 -2.170 1.031) 3.188 4.869 ( 1.318 -0.725 0.291) 1.532 4.924 ( 1.677 4.824 4.096) 6.547 4.997 ( -1.046 -6.374 1.137) 6.559 5.073 ( 0.011 1.014 4.089) 4.213 5.150 ( 1.018 -3.606 -1.668) 4.101 5.214 ( 2.489 -3.629 -1.798) 4.753 5.228 ( 3.265 -0.983 -6.569) 7.401 5.367 ( -4.741 -4.160 1.320) 6.444 5.422 ( -1.295 4.294 4.432) 6.305 5.483 ( -2.850 -2.076 -3.149) 4.728 5.519 ( -1.601 2.999 5.605) 6.556 5.661 ( 4.225 1.890 -3.037) 5.536 5.797 ( 1.881 1.568 2.233) 3.314 5.846 ( -2.793 -4.277 -3.118) 5.985 6.000 ( -1.900 -1.857 -1.200) 2.916 6.056 ( 6.171 -2.321 4.138) 7.784 6.108 ( -3.369 -2.401 -0.671) 4.191 6.357 ( -2.523 -4.453 -1.879) 5.452 6.510 ( -0.540 -0.884 7.740) 7.809 6.689 ( 0.079 -3.713 -0.593) 3.761 6.711 ( 0.493 -1.719 2.824) 3.342 6.761 ( -0.271 -6.537 -3.741) 7.537 6.865 ( 0.552 -3.180 -5.193) 6.114 6.940 ( 4.796 -2.826 -1.016) 5.658 7.038 ( 7.316 -5.713 6.683) 11.438 7.154 ( 0.758 -3.628 1.897) 4.163 7.172 ( 2.245 -5.486 -3.698) 6.987 7.241 ( -0.547 -4.015 0.448) 4.077 7.363 ( 0.639 -0.615 2.815) 2.951 7.533 ( -1.187 -1.434 3.185) 3.689 7.688 ( 3.469 -8.308 -10.089) 13.522 7.859 ( -3.288 -2.063 0.169) 3.885 7.901 ( -3.992 -3.328 -3.833) 6.458 7.967 ( -4.323 -4.653 -4.506) 7.788 8.025 ( 2.056 -0.590 4.516) 4.997 8.229 ( -7.075 5.984 -2.832) 9.689 8.372 ( -0.917 5.907 4.517) 7.493 8.491 ( -2.020 2.528 -3.032) 4.435 8.684 ( 2.900 0.997 1.747) 3.529 8.726 ( 3.107 3.525 5.243) 7.040 8.863 ( 4.904 2.544 -1.303) 5.676 8.961 ( -7.419 6.883 0.263) 10.124 8.990 ( -3.132 4.465 5.230) 7.557 9.180 ( 0.106 5.526 4.773) 7.303 9.218 ( 5.053 -1.934 -4.864) 7.276 9.284 ( -0.006 4.260 -5.151) 6.684 9.335 ( 0.149 6.431 2.177) 6.791 12.285 ( -0.391 8.643 1.271) 8.745 12.368 ( 5.015 9.231 -2.432) 10.782 13.175 ( -2.663 -10.296 -1.497) 10.739 13.212 ( -1.322 -10.118 -1.663) 10.338 13.607 ( -5.511 -0.004 -2.313) 5.977 13.865 ( 3.942 0.475 2.882) 4.906 13.950 ( 0.455 1.254 0.615) 1.469 14.090 ( 8.303 -3.438 9.419) 13.018 14.299 ( -5.178 12.674 8.587) 16.161 14.370 ( 0.361 15.339 -9.194) 17.887 14.673 ( -12.154 10.241 -11.822) 19.808 15.098 ( 7.560 -6.115 0.614) 9.743 15.966 ( -3.104 0.348 -3.836) 4.947 15.978 ( -3.336 -0.143 -2.883) 4.412 16.082 ( -0.318 1.031 5.247) 5.357 16.117 ( 1.133 1.266 3.452) 3.848 16.240 ( -1.431 -1.187 -0.154) 1.866 16.323 ( -0.970 -0.241 -5.001) 5.100 16.409 ( 6.493 -1.982 5.709) 8.870 16.461 ( 7.072 -2.510 7.806) 10.828 17.809 ( -5.719 3.286 -1.889) 6.861 17.822 ( -2.813 -2.586 1.558) 4.126 17.868 ( -0.348 -1.817 -5.829) 6.115 18.014 ( 4.498 -3.384 2.601) 6.201 18.304 ( -4.506 -4.225 -4.998) 7.945 18.541 ( -0.957 -5.863 -5.720) 8.247 18.560 ( -1.244 -7.830 2.193) 8.225 18.596 ( 7.091 -7.618 5.228) 11.647 ======================= Grid point 134 (68/80) ======================= q-point: (-0.17 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.824 14.761 8.085) 16.850 1.254 ( -2.317 18.594 13.014) 22.814 1.789 ( -2.372 1.811 -17.588) 17.840 2.012 ( 7.919 -0.197 -6.070) 9.980 2.198 ( -4.627 6.074 1.035) 7.705 2.335 ( -1.715 4.721 1.466) 5.232 2.403 ( 3.966 9.907 -0.944) 10.713 2.446 ( -2.505 10.180 6.726) 12.455 2.620 ( -1.374 12.694 5.518) 13.909 2.782 ( 2.444 10.749 -2.281) 11.257 2.822 ( 0.032 6.508 -3.162) 7.236 2.867 ( -2.544 1.926 -0.547) 3.237 2.937 ( 3.994 5.354 -0.263) 6.685 3.052 ( 1.972 7.178 2.761) 7.940 3.145 ( 1.151 5.312 1.429) 5.620 3.274 ( -0.310 2.035 2.784) 3.462 3.315 ( 2.029 2.003 2.220) 3.613 3.354 ( -4.262 7.251 -6.776) 10.800 3.488 ( 1.176 3.713 -7.007) 8.017 3.578 ( 1.225 2.492 3.252) 4.276 3.637 ( 2.728 2.970 -0.452) 4.058 3.836 ( -4.790 -1.126 7.222) 8.739 3.945 ( 2.623 3.011 -5.915) 7.137 4.041 ( 1.744 6.276 4.858) 8.126 4.118 ( -0.666 -0.154 -2.217) 2.320 4.143 ( -5.366 1.136 -8.994) 10.535 4.249 ( -3.133 -1.362 2.463) 4.211 4.305 ( 6.405 2.222 1.551) 6.955 4.420 ( 1.601 -2.449 2.203) 3.663 4.494 ( -2.789 -4.183 1.348) 5.205 4.603 ( 5.480 2.193 0.929) 5.975 4.695 ( -1.384 -0.756 -4.889) 5.137 4.774 ( 3.428 -0.640 -4.048) 5.342 4.835 ( -2.700 -0.289 -2.626) 3.777 4.928 ( -5.538 -7.606 0.992) 9.461 4.990 ( 0.800 0.012 4.039) 4.117 5.105 ( 0.065 1.359 -5.624) 5.786 5.136 ( -0.804 1.972 -0.359) 2.159 5.207 ( -0.734 -6.246 1.888) 6.567 5.238 ( -2.591 0.342 -3.129) 4.077 5.344 ( 0.630 0.117 4.447) 4.493 5.418 ( 5.362 -0.407 1.448) 5.569 5.477 ( -0.176 0.046 5.573) 5.576 5.591 ( -0.276 -4.364 -0.311) 4.384 5.726 ( 0.593 0.287 0.314) 0.730 5.743 ( -0.664 -6.455 -0.371) 6.500 5.837 ( 0.566 -0.541 5.024) 5.084 5.943 ( -6.581 -7.504 -2.911) 10.397 6.009 ( 5.122 0.844 -4.391) 6.799 6.296 ( 2.806 2.733 4.804) 6.199 6.305 ( 4.120 -11.165 -2.180) 12.099 6.577 ( -1.248 -4.466 6.875) 8.293 6.648 ( 0.081 -4.742 0.923) 4.832 6.756 ( 2.496 -6.985 -2.137) 7.719 6.772 ( 0.995 -4.861 1.491) 5.181 6.867 ( 2.986 3.464 -2.388) 5.160 7.016 ( 4.236 -1.838 -1.772) 4.946 7.087 ( -1.448 -3.800 0.538) 4.102 7.169 ( 1.093 -5.454 -2.956) 6.299 7.209 ( -0.653 -4.881 -2.362) 5.462 7.312 ( 2.968 -3.743 3.657) 6.016 7.400 ( 1.109 -2.048 2.248) 3.237 7.570 ( -0.505 5.703 3.955) 6.959 7.611 ( 1.746 -1.598 -4.711) 5.273 7.728 ( -9.814 -0.335 1.673) 9.961 7.850 ( -2.601 -0.601 -0.297) 2.687 7.912 ( 5.139 -8.775 -2.433) 10.456 8.044 ( -4.728 3.083 -0.214) 5.648 8.127 ( 2.497 3.112 -1.119) 4.144 8.306 ( -6.491 7.483 -1.578) 10.031 8.493 ( 2.532 1.227 1.018) 2.992 8.727 ( -1.343 0.930 3.459) 3.825 8.774 ( -5.583 2.504 -1.238) 6.242 8.850 ( 0.572 4.280 3.572) 5.604 8.940 ( -2.712 2.124 -1.132) 3.626 9.045 ( 8.754 6.828 0.743) 11.127 9.178 ( -1.664 4.039 1.857) 4.747 9.214 ( -0.866 1.997 2.228) 3.114 9.301 ( 1.842 -1.309 -4.928) 5.421 9.345 ( -0.148 0.256 1.635) 1.661 12.304 ( 0.343 8.940 2.559) 9.306 12.443 ( 6.465 8.324 -5.944) 12.100 13.081 ( -3.458 -6.335 -1.722) 7.420 13.164 ( -3.103 -9.315 -0.237) 9.821 13.565 ( 0.909 1.425 1.750) 2.433 13.914 ( -0.173 2.898 -0.274) 2.916 14.011 ( 1.210 1.502 2.420) 3.094 14.087 ( -5.261 4.551 -3.844) 7.947 14.288 ( -7.883 11.610 3.770) 14.531 14.369 ( -4.562 12.067 -7.457) 14.901 14.528 ( 14.172 1.333 8.914) 16.795 15.163 ( 1.482 -9.308 -4.051) 10.259 15.932 ( 0.460 0.323 -0.098) 0.571 15.945 ( 2.765 1.158 0.457) 3.032 16.111 ( -1.970 0.071 4.826) 5.213 16.144 ( -0.579 1.505 2.104) 2.651 16.227 ( -0.649 0.385 1.073) 1.312 16.268 ( -0.628 0.654 -3.828) 3.934 16.495 ( -2.404 0.681 -2.184) 3.319 16.544 ( -3.494 -0.121 -3.657) 5.059 17.740 ( -2.872 5.224 2.265) 6.377 17.773 ( -1.658 -1.140 -0.347) 2.042 17.864 ( 6.894 0.421 -0.369) 6.916 18.111 ( 2.582 -5.349 3.096) 6.698 18.222 ( 0.573 -7.434 -3.133) 8.088 18.492 ( -4.168 -6.442 -1.968) 7.921 18.524 ( 2.770 -6.493 -1.907) 7.312 18.723 ( 0.855 -9.563 3.055) 10.076 ======================= Grid point 135 (69/80) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 11.228 22.857 -2.000) 25.544 1.679 ( -8.400 13.044 -9.911) 18.410 2.029 ( 16.176 17.215 16.885) 29.037 2.168 ( 3.561 4.180 0.789) 5.547 2.219 ( 1.253 5.137 -4.934) 7.232 2.333 ( -12.422 11.803 -10.784) 20.246 2.620 ( -3.746 7.156 1.869) 8.290 2.652 ( -1.714 6.417 -1.001) 6.717 2.770 ( -1.497 2.580 -0.403) 3.010 2.801 ( 4.472 0.058 -1.720) 4.792 2.937 ( 4.174 0.513 2.631) 4.961 2.991 ( -6.394 1.984 1.549) 6.872 3.076 ( -2.131 3.878 3.752) 5.801 3.182 ( 4.237 -0.846 -1.817) 4.687 3.231 ( -2.751 4.164 4.190) 6.517 3.319 ( 0.395 7.304 2.290) 7.664 3.359 ( -3.892 5.212 -2.233) 6.877 3.469 ( 4.905 -4.186 -7.512) 9.901 3.524 ( -3.245 1.542 7.839) 8.623 3.636 ( 1.469 8.826 1.279) 9.038 3.681 ( -6.265 1.253 -2.022) 6.701 3.754 ( 3.161 3.051 -4.522) 6.304 4.044 ( -2.076 -0.178 3.724) 4.268 4.079 ( 2.870 3.758 2.083) 5.167 4.093 ( -1.523 -2.107 3.739) 4.554 4.171 ( 0.737 3.870 -1.257) 4.135 4.293 ( -6.166 -3.524 3.551) 7.941 4.333 ( 2.870 -2.413 2.885) 4.731 4.334 ( -1.449 -0.877 1.107) 2.024 4.421 ( 4.084 -6.980 -7.034) 10.718 4.595 ( -1.817 -1.350 2.665) 3.497 4.645 ( 3.731 -4.785 -2.257) 6.474 4.764 ( -0.459 0.416 -1.457) 1.583 4.801 ( 1.398 4.685 -4.336) 6.535 4.919 ( 1.135 2.824 0.656) 3.113 4.983 ( -1.019 1.278 -3.310) 3.692 5.062 ( -0.389 2.801 2.043) 3.489 5.114 ( -2.331 1.197 -3.268) 4.189 5.236 ( 3.135 0.064 0.445) 3.167 5.276 ( -3.334 -1.341 -1.817) 4.027 5.337 ( 1.214 0.535 4.513) 4.704 5.404 ( -1.153 2.246 -1.276) 2.829 5.447 ( -0.249 2.409 3.579) 4.322 5.551 ( 1.550 0.753 -4.339) 4.669 5.600 ( -1.493 -8.082 3.331) 8.868 5.671 ( -0.659 -5.642 -2.908) 6.381 5.816 ( -0.209 -2.202 1.779) 2.839 5.850 ( 2.078 -1.683 1.047) 2.872 6.018 ( 0.390 -5.913 0.780) 5.977 6.109 ( 1.624 -5.707 -5.345) 7.986 6.256 ( -0.788 -11.516 5.079) 12.611 6.348 ( -1.300 -12.160 -3.800) 12.806 6.586 ( -1.410 -3.811 3.383) 5.287 6.644 ( 2.078 -5.475 -2.370) 6.318 6.860 ( -2.209 2.609 4.072) 5.316 6.923 ( -6.448 -2.724 2.745) 7.519 6.963 ( 3.077 -1.636 -4.032) 5.329 6.995 ( 4.827 2.632 -6.572) 8.569 7.101 ( -1.716 -2.092 0.998) 2.884 7.150 ( 3.296 0.230 -3.350) 4.705 7.289 ( -1.626 -1.824 -0.017) 2.443 7.316 ( 2.896 -3.178 -2.199) 4.829 7.535 ( -2.794 -6.660 8.359) 11.047 7.639 ( -2.146 -4.834 -1.206) 5.424 7.775 ( -0.343 3.525 2.355) 4.253 7.841 ( 6.645 3.277 -1.911) 7.652 8.001 ( 1.383 1.688 4.355) 4.871 8.066 ( 3.079 1.785 1.211) 3.759 8.259 ( 2.748 6.014 0.074) 6.612 8.322 ( -4.362 8.490 -5.161) 10.851 8.601 ( 1.768 -0.297 4.657) 4.990 8.690 ( -4.567 0.705 -4.309) 6.318 8.758 ( 0.231 3.568 5.558) 6.609 8.866 ( -5.571 4.147 -5.221) 8.689 8.990 ( 0.262 2.467 5.648) 6.169 9.126 ( 0.186 0.209 -6.619) 6.625 9.210 ( -3.917 -0.612 3.853) 5.528 9.266 ( -8.935 1.686 8.260) 12.284 9.306 ( 5.363 -1.161 -4.739) 7.250 9.389 ( 9.576 3.523 -4.166) 11.021 12.494 ( -1.485 7.131 4.228) 8.423 12.598 ( 2.501 6.317 -6.597) 9.470 12.936 ( -0.913 -7.848 1.670) 8.075 12.967 ( 1.403 -6.094 -1.547) 6.442 13.717 ( 5.528 3.709 4.163) 7.851 13.818 ( -7.094 2.509 -5.937) 9.584 14.007 ( -1.069 -2.303 1.846) 3.139 14.058 ( -0.594 -2.720 -2.874) 4.001 14.426 ( -14.731 11.906 12.413) 22.646 14.627 ( 14.245 14.179 -8.519) 21.829 14.885 ( -11.081 -5.217 2.725) 12.547 14.936 ( 16.404 3.238 -2.114) 16.854 16.007 ( 1.712 0.678 1.969) 2.696 16.039 ( 0.189 -1.319 -0.170) 1.343 16.100 ( 1.403 0.464 1.689) 2.244 16.125 ( -2.580 -2.005 0.834) 3.372 16.247 ( 2.809 1.068 4.363) 5.298 16.284 ( 1.807 0.605 3.161) 3.691 16.374 ( -5.820 0.524 -6.600) 8.815 16.386 ( -4.735 0.523 -5.410) 7.208 17.753 ( -2.436 1.253 2.623) 3.793 17.797 ( 1.265 3.412 -1.889) 4.100 18.007 ( -3.076 -7.080 3.270) 8.384 18.076 ( 2.956 -6.746 -3.678) 8.233 18.184 ( 6.868 1.985 0.286) 7.155 18.191 ( -5.656 -2.152 -0.392) 6.065 18.450 ( -9.691 -10.557 3.474) 14.746 18.522 ( 11.590 -6.749 -4.075) 14.017 ======================= Grid point 136 (70/80) ======================= q-point: ( 0.17 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -6.085 13.464 -6.975) 16.339 1.817 ( 7.982 15.401 -0.734) 17.362 1.889 ( -9.664 14.620 -14.403) 22.685 2.048 ( -5.009 10.850 -1.535) 12.049 2.224 ( -1.955 -0.391 -1.878) 2.739 2.467 ( 7.067 11.324 6.228) 14.730 2.518 ( -6.542 4.849 0.303) 8.148 2.670 ( -0.001 8.455 5.978) 10.355 2.734 ( -11.710 -7.885 -0.004) 14.117 2.757 ( -2.619 2.342 -3.805) 5.179 2.901 ( 4.615 1.995 2.791) 5.750 3.020 ( -2.029 -2.628 4.431) 5.537 3.054 ( -2.746 2.382 -1.583) 3.964 3.136 ( -3.566 11.593 -2.361) 12.357 3.241 ( -3.613 -2.003 3.363) 5.327 3.305 ( 0.295 3.545 -1.164) 3.743 3.358 ( 4.708 7.982 7.025) 11.629 3.475 ( 0.234 3.957 -4.084) 5.692 3.536 ( 1.908 -1.335 3.549) 4.245 3.626 ( -1.754 6.678 0.530) 6.925 3.748 ( 2.665 6.864 -4.480) 8.619 3.847 ( 8.983 -2.814 4.677) 10.511 3.965 ( -4.655 4.883 2.503) 7.196 4.044 ( -3.669 -0.223 -1.378) 3.925 4.132 ( -0.777 1.929 2.752) 3.449 4.189 ( 0.822 1.174 -2.024) 2.480 4.233 ( -0.330 -5.621 5.100) 7.597 4.339 ( 1.005 1.195 -2.417) 2.878 4.465 ( 5.292 4.000 -1.741) 6.858 4.523 ( 9.719 -6.957 -2.401) 12.191 4.570 ( -1.769 2.210 -1.397) 3.157 4.689 ( 3.807 -4.250 -3.036) 6.463 4.716 ( -2.579 3.467 1.000) 4.435 4.800 ( 3.377 2.923 -0.846) 4.546 4.866 ( -1.479 2.937 -2.628) 4.209 4.988 ( -1.374 -1.687 3.047) 3.744 5.055 ( -1.854 1.647 -1.358) 2.828 5.124 ( 0.319 -0.407 4.394) 4.425 5.214 ( 1.366 -1.180 -1.499) 2.347 5.229 ( -3.573 3.223 -0.471) 4.835 5.381 ( -0.489 5.056 1.549) 5.311 5.416 ( -2.451 -1.293 -0.867) 2.904 5.484 ( 6.992 -4.533 0.878) 8.379 5.568 ( -2.082 -5.349 2.324) 6.192 5.627 ( 5.940 0.659 -0.905) 6.044 5.671 ( -0.019 -6.195 3.678) 7.205 5.790 ( -3.721 -2.664 -2.137) 5.050 5.850 ( 1.810 -2.400 -4.007) 5.009 5.973 ( -2.873 -5.420 0.558) 6.160 6.095 ( -1.197 -2.190 -1.631) 2.981 6.233 ( -5.489 -14.377 -0.096) 15.390 6.336 ( 2.300 -8.702 1.792) 9.178 6.609 ( 0.448 -3.485 1.542) 3.837 6.635 ( 0.465 -5.785 -2.419) 6.288 6.796 ( -4.414 0.597 1.987) 4.877 6.864 ( -3.898 -1.598 5.178) 6.675 7.008 ( 0.012 4.200 -3.740) 5.624 7.014 ( 0.775 -4.653 -0.668) 4.764 7.100 ( 2.598 -1.569 -0.858) 3.155 7.169 ( 1.586 2.477 -2.280) 3.722 7.245 ( -2.286 -4.257 3.021) 5.699 7.332 ( 0.265 -2.749 -3.935) 4.807 7.530 ( -4.768 -6.416 1.164) 8.077 7.642 ( 2.437 -2.811 4.768) 6.048 7.716 ( -2.739 3.720 -3.397) 5.734 7.870 ( 1.560 -3.782 -8.575) 9.501 8.005 ( -0.159 5.602 -4.340) 7.088 8.162 ( 5.653 5.002 -0.941) 7.607 8.210 ( -1.817 3.566 -2.975) 4.987 8.364 ( 3.573 5.732 3.827) 7.763 8.560 ( -3.972 4.179 0.008) 5.766 8.691 ( 0.373 -2.683 3.616) 4.518 8.782 ( -0.166 -1.274 1.122) 1.706 8.876 ( 0.658 3.450 8.956) 9.620 9.014 ( -0.325 2.387 0.712) 2.512 9.089 ( -0.831 1.824 3.195) 3.771 9.148 ( -5.702 -1.800 2.621) 6.528 9.186 ( -2.583 3.459 1.624) 4.612 9.365 ( 4.873 2.837 -5.269) 7.717 9.509 ( 8.009 3.592 -6.251) 10.776 12.494 ( -2.694 6.815 3.817) 8.263 12.557 ( 0.060 8.218 -5.347) 9.804 12.927 ( -0.710 -7.692 1.002) 7.789 13.015 ( 4.386 -7.704 -2.345) 9.170 13.640 ( -4.566 2.129 -2.597) 5.668 13.878 ( -3.362 -2.129 2.483) 4.690 13.961 ( 6.107 0.453 4.906) 7.847 14.127 ( 0.739 1.410 0.652) 1.720 14.308 ( -5.336 8.031 12.610) 15.874 14.585 ( -16.987 -5.982 -1.220) 18.051 14.840 ( 14.849 17.544 -12.640) 26.230 15.182 ( 12.466 6.599 -6.941) 15.720 15.956 ( -3.766 0.710 -0.998) 3.960 15.997 ( -4.566 -0.075 -3.142) 5.543 16.090 ( 0.028 -1.211 2.483) 2.762 16.139 ( -0.852 -2.369 4.000) 4.726 16.224 ( -1.637 -0.739 -2.912) 3.421 16.286 ( -0.819 -1.110 -3.334) 3.608 16.444 ( 7.195 1.926 7.550) 10.606 16.455 ( 6.551 1.043 4.401) 7.960 17.701 ( -9.156 -2.551 4.680) 10.594 17.822 ( 2.756 2.134 -1.800) 3.923 17.886 ( -8.300 -1.353 -0.236) 8.413 17.958 ( -7.674 -8.343 2.895) 11.700 18.075 ( -0.766 -5.654 -2.360) 6.174 18.304 ( -6.847 -9.734 2.796) 12.225 18.454 ( 12.434 1.797 -1.757) 12.685 18.668 ( 7.296 -5.073 -6.076) 10.765 ======================= Grid point 137 (71/80) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 2.105 9.188 -3.831) 10.175 1.744 ( 3.870 7.498 -3.542) 9.151 1.852 ( 0.085 10.552 -2.346) 10.810 2.083 ( 5.506 15.022 -1.921) 16.114 2.176 ( 0.337 3.791 3.973) 5.502 2.371 ( -8.765 -2.640 1.158) 9.227 2.503 ( -1.141 1.187 -0.907) 1.880 2.589 ( -5.745 -1.921 2.122) 6.419 2.624 ( -6.654 0.209 2.875) 7.251 2.745 ( -0.201 5.184 3.473) 6.243 2.923 ( -4.930 -0.689 0.495) 5.003 2.969 ( -2.672 9.660 -0.461) 10.033 2.997 ( -2.321 -1.767 1.573) 3.314 3.133 ( 4.485 8.894 -1.022) 10.013 3.257 ( 0.036 -0.852 2.800) 2.927 3.295 ( 2.032 1.380 -7.469) 7.863 3.415 ( -3.320 4.936 -3.375) 6.839 3.440 ( -5.002 3.738 -1.120) 6.344 3.581 ( 1.398 8.540 -1.064) 8.719 3.621 ( -0.145 -2.533 3.680) 4.470 3.660 ( -5.779 4.305 -1.393) 7.339 3.948 ( -2.790 2.946 0.147) 4.060 4.015 ( 8.208 1.854 4.414) 9.502 4.051 ( -2.159 3.150 6.549) 7.581 4.136 ( 2.663 7.114 -1.492) 7.741 4.212 ( 2.728 -0.847 0.712) 2.944 4.311 ( 0.663 -4.958 6.258) 8.012 4.371 ( 2.911 2.948 2.586) 4.884 4.398 ( -3.804 9.181 -4.219) 10.797 4.552 ( 3.457 4.988 -9.218) 11.036 4.632 ( 1.495 2.081 -1.716) 3.084 4.693 ( 3.234 -3.672 -2.907) 5.691 4.734 ( 2.301 -0.880 -1.617) 2.947 4.828 ( 0.516 1.094 -0.658) 1.377 4.927 ( 5.498 -1.398 -1.492) 5.866 4.996 ( 0.184 -0.536 2.889) 2.944 5.035 ( -0.559 1.531 2.955) 3.375 5.113 ( -3.851 -4.729 1.201) 6.216 5.174 ( -2.817 -1.269 -1.685) 3.519 5.204 ( -0.485 2.417 -1.793) 3.048 5.365 ( 2.066 -1.499 -2.483) 3.561 5.406 ( 0.804 2.818 3.838) 4.828 5.582 ( 1.634 0.963 2.075) 2.811 5.596 ( -6.448 -3.451 -0.924) 7.372 5.625 ( 0.122 -3.400 5.700) 6.638 5.695 ( 0.393 4.476 -2.448) 5.117 5.774 ( 5.756 -8.108 1.546) 10.062 5.905 ( 2.151 -6.246 -1.733) 6.829 5.980 ( 3.347 -2.648 2.810) 5.110 6.017 ( -5.652 -0.979 -0.478) 5.756 6.149 ( -0.651 -12.543 0.955) 12.596 6.411 ( 3.501 -6.846 0.986) 7.753 6.596 ( -2.296 -4.205 -0.086) 4.792 6.636 ( 1.754 -6.689 -0.677) 6.948 6.769 ( -0.179 3.085 0.586) 3.145 6.873 ( -3.464 2.281 1.539) 4.424 6.877 ( -5.269 -0.704 -0.370) 5.328 7.018 ( -0.110 -4.218 0.427) 4.241 7.089 ( -7.067 -2.262 -0.850) 7.469 7.155 ( 1.353 -1.367 -3.487) 3.982 7.262 ( 1.271 2.401 -3.260) 4.244 7.292 ( -2.686 -5.269 7.119) 9.256 7.455 ( -0.223 -1.055 -4.461) 4.589 7.628 ( -2.095 1.104 -5.359) 5.859 7.754 ( 5.170 -5.279 1.435) 7.526 7.819 ( 2.153 -7.131 -4.313) 8.607 7.955 ( 0.868 4.298 -5.327) 6.900 8.140 ( -0.653 -0.792 -7.287) 7.359 8.281 ( 4.380 5.756 4.496) 8.517 8.432 ( -0.829 1.319 4.751) 5.000 8.534 ( 0.322 4.954 1.028) 5.070 8.689 ( -2.152 -1.317 -0.290) 2.540 8.777 ( -2.000 -2.120 1.443) 3.252 8.885 ( -5.609 0.368 5.001) 7.524 9.039 ( -3.131 -0.501 4.344) 5.378 9.102 ( 0.768 0.241 -1.576) 1.770 9.129 ( 1.292 6.702 3.748) 7.787 9.236 ( 3.438 5.546 6.624) 9.298 9.380 ( 2.579 6.606 -5.303) 8.856 9.562 ( 4.815 4.271 -7.720) 10.051 12.474 ( -2.615 7.340 2.669) 8.237 12.514 ( 0.359 9.236 -3.667) 9.944 12.938 ( 0.062 -8.752 2.416) 9.080 13.057 ( 3.279 -9.299 -4.309) 10.760 13.595 ( 1.073 1.010 0.301) 1.504 13.817 ( -3.890 -4.429 3.217) 6.715 13.991 ( -4.606 0.874 -2.277) 5.212 14.142 ( -4.996 -5.657 -6.676) 10.077 14.329 ( -5.406 8.340 15.585) 18.485 14.522 ( 8.046 3.150 16.650) 18.758 14.934 ( 9.893 19.636 -16.741) 27.635 15.268 ( 6.576 9.741 -11.719) 16.597 15.919 ( 0.010 -0.085 1.698) 1.700 15.932 ( 0.139 -0.062 0.372) 0.402 16.108 ( -1.006 -2.217 3.149) 3.981 16.162 ( -1.085 -2.977 4.697) 5.666 16.185 ( -0.558 -0.538 -2.746) 2.854 16.250 ( -0.013 -1.242 -3.083) 3.324 16.482 ( -4.803 -1.076 -4.791) 6.869 16.524 ( -3.747 -1.854 -3.936) 5.742 17.592 ( -5.691 -4.708 13.102) 15.041 17.807 ( -1.842 -4.984 2.815) 6.013 17.861 ( 2.925 0.447 -2.556) 3.911 17.969 ( 1.296 -4.132 4.413) 6.183 18.037 ( -0.518 -4.778 3.558) 5.980 18.265 ( -2.244 -7.514 6.049) 9.903 18.594 ( 6.782 -0.313 -7.115) 9.835 18.652 ( -0.452 -2.144 -9.830) 10.071 ======================= Grid point 138 (72/80) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 13.150 2.422 -1.118) 13.418 1.586 ( -5.712 12.502 -11.707) 18.055 2.076 ( 0.827 1.619 5.049) 5.366 2.123 ( 5.219 0.691 -0.124) 5.266 2.260 ( 0.722 8.700 4.472) 9.809 2.345 ( 8.382 4.215 -0.004) 9.382 2.463 ( 1.095 5.371 -1.481) 5.678 2.541 ( -4.729 -3.153 7.558) 9.457 2.606 ( -6.352 1.474 1.048) 6.604 2.648 ( 0.334 2.380 -8.351) 8.690 2.866 ( -3.287 5.187 7.147) 9.423 2.980 ( 1.602 -1.726 3.069) 3.869 3.035 ( 5.047 7.885 0.892) 9.405 3.085 ( -7.456 7.211 -2.016) 10.567 3.240 ( 1.216 0.704 -5.951) 6.114 3.255 ( -3.594 4.786 -3.981) 7.188 3.291 ( -4.467 4.022 -0.226) 6.015 3.316 ( 3.797 -0.485 -4.910) 6.226 3.533 ( -8.492 5.733 3.378) 10.788 3.629 ( 5.349 5.766 -2.973) 8.408 3.712 ( 2.027 -2.401 10.851) 11.296 3.870 ( -3.527 0.301 -4.241) 5.525 4.079 ( -1.820 0.298 8.038) 8.247 4.171 ( 1.452 -0.739 1.692) 2.349 4.185 ( 3.912 10.763 1.079) 11.503 4.246 ( -0.415 8.113 -0.872) 8.170 4.256 ( -6.469 0.428 -0.352) 6.493 4.358 ( 2.837 3.455 -5.964) 7.453 4.467 ( 1.719 2.848 5.177) 6.154 4.564 ( -1.352 2.256 -4.005) 4.791 4.607 ( 4.238 1.826 3.498) 5.791 4.712 ( -0.404 -1.604 -5.968) 6.193 4.797 ( 7.335 -4.145 -2.287) 8.730 4.824 ( -6.403 -0.300 -2.508) 6.884 4.919 ( 3.347 3.643 0.099) 4.948 4.962 ( -5.991 0.271 -2.245) 6.404 5.036 ( -0.340 -4.977 1.702) 5.271 5.075 ( 2.955 -3.893 -1.074) 5.004 5.167 ( -2.026 3.085 3.404) 5.020 5.218 ( 3.531 2.799 -2.132) 4.985 5.418 ( -2.491 0.844 1.289) 2.928 5.446 ( -7.553 -1.664 2.659) 8.179 5.497 ( 8.368 -1.161 -1.146) 8.526 5.542 ( -0.642 0.016 -4.831) 4.874 5.676 ( -2.097 3.256 7.896) 8.795 5.739 ( 2.705 -1.845 4.959) 5.942 5.875 ( -5.392 -5.993 -1.451) 8.191 5.915 ( 3.154 -4.563 2.478) 6.076 5.920 ( -0.062 -4.020 -1.585) 4.322 5.998 ( 2.278 -5.719 -6.163) 8.711 6.280 ( 5.387 -6.527 7.043) 11.010 6.402 ( -4.054 -4.475 -3.273) 6.868 6.619 ( 2.129 -4.288 3.089) 5.697 6.679 ( -3.707 -2.014 -1.576) 4.503 6.707 ( 3.386 -2.612 3.899) 5.787 6.824 ( -2.898 -3.257 -1.547) 4.626 6.852 ( 0.376 -0.484 -2.201) 2.285 6.893 ( -2.232 1.274 -4.583) 5.255 7.067 ( 2.011 -1.805 2.745) 3.852 7.125 ( -1.892 -2.934 -1.210) 3.695 7.250 ( -2.333 3.393 0.995) 4.236 7.315 ( 1.600 -0.135 1.172) 1.988 7.464 ( 4.553 -2.892 -2.704) 6.034 7.541 ( -0.878 -1.554 -5.782) 6.051 7.834 ( -1.638 -8.295 2.023) 8.693 7.865 ( 4.090 -6.440 -1.951) 7.874 7.922 ( -0.727 1.304 1.467) 2.093 8.037 ( -1.664 -2.179 -8.818) 9.235 8.391 ( 1.533 3.913 5.062) 6.579 8.423 ( -2.623 3.299 1.691) 4.541 8.587 ( 1.807 1.053 2.384) 3.171 8.641 ( -0.466 1.173 -2.332) 2.651 8.758 ( -2.625 1.196 4.055) 4.976 8.840 ( 1.812 1.653 -2.642) 3.605 9.004 ( -3.559 -0.290 4.334) 5.616 9.082 ( 1.252 -2.845 -2.461) 3.964 9.224 ( -0.668 7.326 6.668) 9.929 9.302 ( -3.173 6.761 3.752) 8.359 9.404 ( 4.029 7.211 -1.167) 8.343 9.533 ( 0.743 5.462 -8.958) 10.518 12.456 ( -1.688 7.917 2.100) 8.363 12.505 ( 2.146 8.971 -2.959) 9.687 12.967 ( -0.574 -10.093 3.609) 10.734 13.052 ( 1.436 -9.902 -5.338) 11.340 13.683 ( 5.304 -0.405 3.625) 6.438 13.757 ( -4.582 -1.621 -3.010) 5.717 13.904 ( -0.979 -2.819 1.329) 3.266 13.956 ( -3.181 -3.397 -3.162) 5.627 14.485 ( -2.401 12.679 19.752) 23.594 14.838 ( 4.712 0.713 17.837) 18.463 14.876 ( 3.323 19.479 -20.165) 28.233 15.187 ( -0.287 11.464 -18.002) 21.344 16.000 ( 3.627 -0.480 5.056) 6.241 16.004 ( 4.165 -1.040 5.144) 6.700 16.097 ( -2.610 -1.827 -3.508) 4.739 16.106 ( -4.016 0.594 -4.254) 5.880 16.205 ( -3.528 -4.215 3.406) 6.467 16.218 ( 0.023 -1.078 5.521) 5.626 16.284 ( -1.906 -3.830 -5.300) 6.811 16.364 ( -2.642 -4.491 -7.711) 9.307 17.702 ( 0.152 -3.598 12.306) 12.822 17.848 ( 1.642 -4.298 4.177) 6.214 17.872 ( 1.944 -1.374 -5.307) 5.817 17.927 ( -1.244 -1.726 -4.673) 5.134 18.223 ( 4.941 -5.888 14.493) 16.405 18.332 ( 0.168 -6.056 10.657) 12.259 18.479 ( -5.297 -0.060 -12.426) 13.508 18.572 ( 1.623 -2.784 -12.561) 12.968 ======================= Grid point 139 (73/80) ======================= q-point: (-0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 2.377 21.004 -11.318) 23.977 1.730 ( 8.696 0.530 -2.249) 8.997 1.887 ( -6.618 10.109 -5.762) 13.387 2.135 ( -8.650 12.575 -6.772) 16.698 2.270 ( -2.518 1.467 -4.658) 5.494 2.362 ( 8.471 -2.157 0.089) 8.742 2.472 ( -2.224 2.581 4.977) 6.031 2.534 ( 8.179 5.971 3.325) 10.658 2.689 ( 3.436 -1.339 -0.363) 3.706 2.794 ( 7.397 2.557 1.581) 7.984 2.916 ( -3.432 4.917 3.715) 7.054 2.953 ( 3.250 6.770 5.108) 9.082 3.000 ( 2.483 1.564 -6.628) 7.248 3.130 ( -3.282 -0.924 -2.728) 4.367 3.202 ( -0.773 0.213 2.992) 3.097 3.255 ( 3.866 5.692 8.838) 11.201 3.305 ( 2.946 3.224 -0.262) 4.375 3.395 ( 2.755 -2.232 2.485) 4.330 3.470 ( 2.062 8.585 4.977) 10.135 3.654 ( -2.752 4.582 -0.535) 5.372 3.775 ( 0.809 3.251 -5.943) 6.822 3.876 ( 3.037 -3.370 8.251) 9.416 4.055 ( -5.651 0.237 -5.125) 7.632 4.119 ( -1.325 0.062 5.696) 5.848 4.156 ( -6.205 7.768 -1.163) 10.010 4.245 ( 1.411 3.613 -2.245) 4.482 4.287 ( 0.378 5.028 6.086) 7.904 4.375 ( 4.821 3.980 -1.126) 6.352 4.404 ( -4.913 3.753 -2.460) 6.654 4.525 ( -8.137 -2.034 -6.071) 10.354 4.619 ( -7.335 -4.144 1.001) 8.484 4.683 ( 3.959 2.604 -2.726) 5.466 4.710 ( 4.616 1.463 0.071) 4.843 4.850 ( -2.653 -1.947 -1.756) 3.730 4.889 ( -0.146 -1.831 1.295) 2.248 5.004 ( 1.939 1.146 2.114) 3.089 5.086 ( 4.572 -2.083 -2.582) 5.649 5.123 ( 1.922 1.618 2.126) 3.291 5.134 ( -1.689 -2.658 -0.821) 3.255 5.244 ( 2.765 2.174 -4.486) 5.701 5.286 ( -6.071 -2.766 4.399) 7.991 5.473 ( 0.754 2.111 -0.441) 2.284 5.488 ( 1.670 1.342 2.391) 3.211 5.615 ( -1.272 3.936 4.132) 5.847 5.685 ( -3.196 2.636 -5.075) 6.551 5.767 ( -4.541 -3.807 -2.963) 6.625 5.799 ( -4.294 -5.905 6.960) 10.087 5.833 ( 4.453 -8.380 -4.775) 10.623 5.999 ( -0.696 -1.263 1.423) 2.026 6.042 ( 7.501 -5.316 -2.540) 9.538 6.235 ( -4.964 -8.536 -5.473) 11.289 6.401 ( 0.317 -6.485 2.554) 6.977 6.583 ( -1.022 -5.175 -0.337) 5.285 6.657 ( -4.456 -4.188 -2.716) 6.691 6.713 ( 1.967 3.112 3.040) 4.775 6.884 ( 5.082 -0.422 3.236) 6.039 6.916 ( 4.274 -1.302 -1.820) 4.824 6.946 ( 6.137 -0.523 3.231) 6.955 7.089 ( 2.233 -3.400 0.192) 4.072 7.142 ( 1.730 2.255 1.838) 3.385 7.201 ( -1.410 -0.105 -3.208) 3.506 7.367 ( -0.791 0.314 4.551) 4.630 7.499 ( 5.568 -7.257 -10.371) 13.828 7.536 ( 2.945 -0.369 1.930) 3.541 7.756 ( -4.285 -5.884 0.609) 7.305 7.812 ( -6.558 -7.562 -1.582) 10.134 7.924 ( -2.481 0.309 -1.653) 2.997 8.005 ( 1.326 -1.745 4.761) 5.241 8.348 ( -3.789 6.042 -2.000) 7.407 8.472 ( 1.402 3.936 4.080) 5.840 8.553 ( -2.404 3.302 -3.804) 5.582 8.671 ( 2.415 -1.821 0.556) 3.076 8.783 ( 1.452 3.070 1.800) 3.844 8.930 ( 9.093 3.100 -0.979) 9.657 9.013 ( -1.390 0.650 6.602) 6.778 9.112 ( -0.677 -3.057 -0.941) 3.269 9.156 ( -4.067 7.251 0.680) 8.342 9.304 ( -2.712 5.139 4.672) 7.456 9.407 ( -2.786 5.386 -7.044) 9.294 9.443 ( -1.708 4.043 -1.250) 4.563 12.455 ( -0.736 8.271 2.386) 8.640 12.534 ( 4.180 7.676 -3.436) 9.391 12.971 ( -2.081 -9.936 1.893) 10.326 13.019 ( -0.084 -9.293 -3.308) 9.865 13.625 ( -2.652 1.981 -2.779) 4.322 13.855 ( 6.318 -1.618 1.073) 6.610 13.932 ( 2.149 -2.294 1.442) 3.458 14.012 ( 6.612 -3.929 6.240) 9.904 14.577 ( -8.320 14.231 18.287) 24.620 14.682 ( -0.996 15.271 -18.945) 24.354 14.876 ( -8.559 8.521 -15.930) 19.991 15.037 ( -1.968 -0.118 8.446) 8.673 15.973 ( -1.955 0.443 -4.125) 4.586 15.982 ( -2.237 0.390 -3.906) 4.518 16.076 ( -1.357 -1.044 6.046) 6.284 16.117 ( 0.484 -1.352 3.803) 4.065 16.193 ( -0.218 -3.307 1.880) 3.811 16.280 ( 0.660 -4.142 -4.539) 6.180 16.373 ( 7.954 -1.284 4.946) 9.454 16.411 ( 8.705 -2.283 6.559) 11.136 17.770 ( -1.929 -1.700 4.664) 5.326 17.831 ( 0.664 -0.992 -5.850) 5.970 17.869 ( 1.448 0.887 -6.048) 6.282 17.930 ( 2.380 -4.880 3.195) 6.300 18.249 ( -4.962 -0.589 -12.000) 12.999 18.405 ( -2.252 -6.036 12.112) 13.719 18.446 ( 0.881 -4.507 -10.683) 11.629 18.458 ( 1.422 -6.078 7.936) 10.097 ======================= Grid point 140 (74/80) ======================= q-point: (-0.17 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 10.383 26.105 -9.190) 29.558 1.645 ( 2.075 19.847 7.333) 21.260 1.918 ( -4.114 8.919 -8.744) 13.151 2.037 ( 7.605 5.055 -1.656) 9.281 2.229 ( 2.028 1.222 -1.870) 3.017 2.457 ( -1.189 6.463 2.527) 7.041 2.557 ( 7.555 0.846 2.282) 7.937 2.668 ( 1.963 9.886 2.740) 10.445 2.763 ( -0.831 3.102 -0.762) 3.300 2.831 ( 6.767 -2.996 -7.122) 10.271 2.932 ( -2.399 0.790 2.440) 3.512 2.970 ( -1.300 7.456 0.434) 7.581 3.026 ( 0.152 3.227 5.874) 6.704 3.140 ( 4.796 -0.961 -4.654) 6.752 3.223 ( 1.759 -1.203 3.649) 4.226 3.248 ( -2.052 7.816 1.463) 8.212 3.428 ( 0.293 2.323 6.558) 6.964 3.487 ( 2.573 -0.760 -2.755) 3.846 3.538 ( -2.488 7.519 -0.360) 7.928 3.612 ( -0.314 3.172 2.288) 3.924 3.742 ( 1.599 3.870 -2.993) 5.147 3.854 ( -9.042 2.709 0.665) 9.463 3.999 ( 1.329 3.115 3.285) 4.718 4.084 ( -2.926 -1.920 0.951) 3.626 4.131 ( -5.011 -1.641 -6.043) 8.020 4.147 ( 1.401 2.413 0.898) 2.931 4.297 ( -3.054 3.389 1.305) 4.745 4.330 ( -2.177 -0.405 1.338) 2.587 4.403 ( -0.531 -2.486 2.350) 3.462 4.449 ( -3.220 4.075 -0.228) 5.199 4.561 ( 4.873 -3.619 0.218) 6.074 4.661 ( -5.058 -8.221 -0.500) 9.665 4.785 ( 3.591 4.334 -1.835) 5.919 4.801 ( -1.260 1.140 -0.630) 1.812 4.861 ( 0.949 2.651 -3.639) 4.601 5.025 ( -0.411 -0.218 -0.180) 0.499 5.096 ( 1.055 -1.756 -3.773) 4.294 5.167 ( -0.048 2.909 -0.072) 2.910 5.183 ( 3.966 1.342 1.143) 4.340 5.221 ( 0.762 -0.267 1.390) 1.608 5.323 ( 0.707 -4.387 3.146) 5.445 5.431 ( -0.539 4.538 -1.944) 4.966 5.527 ( -5.995 0.024 -3.466) 6.924 5.573 ( -0.871 4.617 3.942) 6.133 5.615 ( -4.834 -2.981 0.698) 5.722 5.726 ( 1.498 -3.413 1.003) 3.860 5.742 ( 2.245 -8.033 -1.390) 8.455 5.817 ( -3.919 -3.557 1.644) 5.542 5.985 ( 3.042 -2.613 -4.307) 5.885 6.134 ( 2.235 -6.273 -3.696) 7.616 6.219 ( 2.669 -9.542 1.688) 10.051 6.379 ( 0.070 -9.606 -2.563) 9.942 6.595 ( -0.660 -6.284 1.776) 6.564 6.605 ( 0.203 -5.092 0.839) 5.165 6.794 ( 3.004 6.786 3.180) 8.074 6.957 ( 2.727 -3.790 -2.557) 5.324 6.968 ( 3.727 5.296 -3.158) 7.205 7.007 ( -0.818 -2.966 0.756) 3.168 7.141 ( -1.911 -1.590 -1.556) 2.933 7.142 ( -1.001 1.366 -1.684) 2.389 7.239 ( 5.482 -3.665 4.014) 7.720 7.330 ( -2.920 -3.416 -1.007) 4.605 7.547 ( 1.144 -6.113 -1.175) 6.329 7.604 ( 3.856 -6.018 1.327) 7.270 7.712 ( -0.091 -0.525 3.178) 3.222 7.760 ( 1.970 -0.790 -0.083) 2.124 7.898 ( 0.233 3.022 4.880) 5.745 8.055 ( -2.747 -1.575 6.923) 7.613 8.261 ( -0.965 8.226 -4.528) 9.439 8.455 ( -3.875 7.043 -4.235) 9.086 8.535 ( 2.115 2.070 1.891) 3.512 8.706 ( 0.567 -2.414 0.821) 2.612 8.819 ( -0.195 2.153 -1.043) 2.401 8.966 ( -7.132 6.682 2.984) 10.218 9.025 ( -3.029 5.295 -0.928) 6.171 9.107 ( 6.775 1.361 -0.361) 6.920 9.197 ( 4.766 -2.010 -3.914) 6.487 9.268 ( -0.421 3.143 -0.242) 3.181 9.304 ( -2.312 1.466 -0.584) 2.799 9.379 ( -6.193 1.395 3.187) 7.104 12.473 ( -0.498 7.946 3.397) 8.656 12.582 ( 4.989 6.145 -5.245) 9.496 12.941 ( -1.427 -7.702 0.267) 7.838 12.987 ( -1.402 -8.157 -0.465) 8.290 13.612 ( 2.583 3.402 0.091) 4.272 13.920 ( 3.302 -2.725 -2.092) 4.765 14.020 ( -0.837 0.270 0.435) 0.981 14.119 ( -1.507 -1.205 1.395) 2.381 14.535 ( -8.705 12.701 6.916) 16.880 14.599 ( -4.102 10.227 -5.510) 12.320 14.633 ( 13.103 7.935 -7.418) 17.020 15.031 ( -8.187 -4.190 8.372) 12.437 15.954 ( 1.817 1.902 -1.030) 2.825 15.974 ( 3.830 1.564 -0.878) 4.230 16.090 ( -2.463 -1.200 4.601) 5.355 16.135 ( -1.614 -2.178 3.541) 4.459 16.212 ( 1.027 -1.872 0.316) 2.159 16.254 ( 0.960 -2.294 -3.161) 4.022 16.500 ( -0.660 -0.008 0.048) 0.661 16.533 ( -1.694 -0.867 -1.135) 2.215 17.763 ( -0.959 0.314 1.561) 1.859 17.808 ( 0.529 1.422 -2.402) 2.841 17.907 ( 9.395 2.887 -3.562) 10.454 17.993 ( 1.831 -6.152 1.688) 6.637 18.106 ( 0.906 -3.066 -7.041) 7.733 18.379 ( -5.557 -4.571 2.357) 7.572 18.401 ( 2.449 -5.838 -4.117) 7.552 18.536 ( -3.944 -8.639 7.382) 12.028 ======================= Grid point 141 (75/80) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.978 ( -2.858 13.687 -2.005) 14.125 2.002 ( 3.556 13.214 -4.500) 14.405 2.200 ( 0.650 4.002 4.490) 6.050 2.269 ( -2.722 0.891 -1.784) 3.375 2.432 ( 14.942 13.290 4.374) 20.470 2.516 ( -4.190 3.263 0.057) 5.311 2.665 ( 3.852 -3.846 2.749) 6.098 2.694 ( -3.963 -1.807 0.901) 4.448 2.754 ( -1.436 0.265 2.680) 3.052 2.808 ( -5.956 7.084 -3.269) 9.816 2.927 ( 4.630 -7.017 1.916) 8.623 2.965 ( -6.601 -5.684 -1.269) 8.803 2.998 ( -2.376 -0.377 3.866) 4.553 3.121 ( -3.939 -6.131 -3.662) 8.156 3.311 ( 5.454 0.968 -2.933) 6.268 3.332 ( 8.140 -2.945 -5.672) 10.349 3.479 ( 0.130 9.121 4.736) 10.278 3.552 ( -3.500 2.482 3.499) 5.537 3.601 ( -0.694 10.840 -1.925) 11.032 3.700 ( -8.858 1.497 -1.911) 9.185 3.786 ( 1.859 4.255 0.898) 4.729 3.833 ( 0.947 3.263 0.317) 3.412 3.929 ( 2.953 -8.641 4.261) 10.076 3.964 ( -1.993 -10.999 -1.823) 11.326 4.117 ( -2.811 0.017 7.249) 7.775 4.191 ( 0.636 -3.863 1.007) 4.043 4.214 ( -0.024 1.820 0.833) 2.002 4.268 ( 3.782 -3.555 -5.163) 7.321 4.389 ( -5.060 5.562 1.711) 7.712 4.416 ( 2.243 3.399 -1.469) 4.330 4.535 ( 1.911 -1.806 0.341) 2.651 4.567 ( 0.702 -3.992 -2.339) 4.679 4.872 ( 0.213 6.593 0.407) 6.609 4.912 ( 1.753 4.873 -2.257) 5.649 4.949 ( -1.481 0.504 -0.984) 1.848 4.986 ( 1.951 -1.014 -2.777) 3.542 5.109 ( -0.436 1.869 1.687) 2.555 5.137 ( -1.167 -0.040 -2.949) 3.172 5.190 ( 3.479 -2.033 -1.159) 4.193 5.221 ( -3.249 -2.165 -2.634) 4.710 5.368 ( 0.115 -1.551 6.297) 6.487 5.410 ( -1.314 -4.045 2.909) 5.153 5.505 ( -0.914 1.929 -4.339) 4.836 5.541 ( 1.429 -2.371 -6.882) 7.418 5.587 ( 1.326 9.136 5.337) 10.664 5.671 ( -2.452 4.592 -2.304) 5.693 5.798 ( 1.177 -1.960 1.837) 2.933 5.828 ( 1.806 0.017 0.410) 1.852 5.909 ( 1.571 -2.276 3.806) 4.705 6.003 ( -1.848 -0.731 -3.100) 3.682 6.053 ( 1.439 -10.092 0.494) 10.206 6.120 ( -3.730 -9.601 -5.482) 11.668 6.524 ( 1.067 -1.376 2.224) 2.824 6.548 ( 1.804 -3.533 0.111) 3.969 6.852 ( -3.556 -0.876 2.547) 4.461 6.871 ( -2.460 -2.704 0.520) 3.693 7.011 ( -5.407 5.048 1.349) 7.519 7.074 ( -2.040 -0.864 0.109) 2.218 7.113 ( 3.065 5.067 -5.243) 7.910 7.161 ( 4.159 0.185 -4.698) 6.277 7.270 ( 1.236 -0.044 -0.395) 1.299 7.279 ( 1.412 0.604 -1.866) 2.417 7.400 ( 0.196 -4.519 4.307) 6.246 7.478 ( 4.923 -9.164 -4.289) 11.252 7.839 ( -1.664 2.642 6.420) 7.138 7.871 ( -0.204 -0.332 4.670) 4.687 8.044 ( 3.056 2.240 3.505) 5.161 8.078 ( 4.145 -0.776 1.829) 4.597 8.396 ( 0.772 7.116 1.796) 7.380 8.487 ( -2.363 6.418 -5.997) 9.096 8.534 ( 0.042 -4.218 3.472) 5.463 8.628 ( -1.652 -5.390 -4.838) 7.429 8.880 ( -1.323 6.557 4.477) 8.049 8.958 ( -5.183 1.359 -0.418) 5.375 9.038 ( -1.996 3.031 -0.935) 3.747 9.110 ( -2.054 -2.210 -5.383) 6.171 9.209 ( -6.229 0.835 5.224) 8.172 9.246 ( -6.724 -2.392 7.662) 10.471 9.340 ( 8.356 3.800 -4.262) 10.121 9.406 ( 10.248 -1.822 -5.539) 11.791 12.631 ( -1.797 6.827 3.685) 7.963 12.713 ( 2.667 4.686 -4.574) 7.070 12.785 ( -1.593 -6.257 2.522) 6.931 12.845 ( 2.448 -6.091 -3.375) 7.382 13.806 ( 5.171 5.084 2.395) 7.637 13.872 ( -4.339 1.783 -3.294) 5.732 13.935 ( -0.103 -3.300 -0.450) 3.332 13.978 ( -2.608 -4.564 -3.808) 6.491 14.636 ( -18.395 8.756 14.884) 25.230 14.763 ( -16.135 -3.593 11.808) 20.314 14.893 ( 17.225 7.568 -9.817) 21.221 14.981 ( 21.382 -0.492 -8.691) 23.087 16.018 ( -0.676 0.417 1.359) 1.574 16.030 ( 1.157 0.008 0.381) 1.218 16.077 ( -1.867 -0.506 0.227) 1.948 16.102 ( -0.149 -1.500 -2.397) 2.832 16.258 ( 6.647 0.592 4.964) 8.318 16.277 ( 5.188 -1.023 3.684) 6.445 16.379 ( -6.741 0.243 -5.549) 8.734 16.386 ( -6.449 -0.352 -5.364) 8.396 17.792 ( -4.243 2.877 4.443) 6.784 17.863 ( 0.945 1.379 -1.823) 2.473 17.881 ( -3.305 -3.133 2.853) 5.374 17.956 ( 3.126 -5.170 -3.788) 7.131 18.174 ( -14.644 2.166 5.143) 15.671 18.267 ( -6.582 -4.427 3.555) 8.693 18.280 ( 9.446 2.650 -2.733) 10.184 18.394 ( 13.980 -6.198 -6.548) 16.635 ======================= Grid point 142 (76/80) ======================= q-point: ( 0.17 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -9.830 18.806 2.378) 21.353 2.007 ( -5.008 2.110 -3.616) 6.528 2.175 ( -12.046 9.424 -3.714) 15.739 2.230 ( -3.891 7.744 -2.451) 9.006 2.283 ( 2.248 4.247 3.593) 5.999 2.484 ( -14.426 -11.498 -5.115) 19.143 2.568 ( -8.303 -1.859 3.351) 9.145 2.608 ( -0.091 0.798 -0.484) 0.938 2.777 ( -2.814 2.668 -1.509) 4.161 2.813 ( 1.277 3.451 3.921) 5.377 2.889 ( -0.407 -2.363 3.857) 4.542 2.922 ( -6.739 -1.548 3.977) 7.977 3.104 ( 4.998 -1.205 -2.024) 5.526 3.124 ( 3.237 -3.748 3.471) 6.048 3.319 ( 2.826 3.673 -9.573) 10.635 3.370 ( 3.154 -0.093 -5.492) 6.334 3.452 ( -4.264 4.088 -1.611) 6.123 3.549 ( -2.792 -1.122 2.774) 4.093 3.574 ( 2.781 10.106 7.039) 12.626 3.753 ( 0.001 -1.056 6.494) 6.579 3.780 ( -0.832 3.913 -2.487) 4.711 3.883 ( 6.262 2.118 2.612) 7.108 3.953 ( 3.944 -3.477 -1.581) 5.490 4.006 ( 2.822 -5.169 -0.823) 5.947 4.130 ( -2.115 1.105 7.088) 7.479 4.171 ( -0.609 -1.796 -1.251) 2.272 4.233 ( 2.014 2.794 -1.236) 3.659 4.316 ( 3.630 -5.014 -0.804) 6.242 4.432 ( 6.601 3.943 -1.242) 7.789 4.548 ( 9.387 0.217 0.509) 9.404 4.567 ( 2.637 -2.176 -3.818) 5.125 4.620 ( 5.438 -0.631 0.487) 5.496 4.835 ( -2.833 6.548 -0.052) 7.134 4.883 ( -0.316 4.361 -2.245) 4.915 4.943 ( 1.336 1.899 -0.553) 2.387 4.954 ( -1.425 -1.990 -3.751) 4.479 5.090 ( -2.404 1.651 -0.179) 2.922 5.128 ( -1.678 -0.046 1.368) 2.166 5.193 ( 0.523 0.451 0.023) 0.691 5.269 ( -0.311 -4.148 2.624) 4.918 5.357 ( -2.376 0.297 -0.750) 2.509 5.421 ( 3.168 -4.618 1.911) 5.917 5.442 ( -1.640 3.107 -1.565) 3.846 5.495 ( -1.122 0.502 0.854) 1.497 5.629 ( -1.332 -1.051 -0.005) 1.697 5.652 ( -0.974 -2.553 2.903) 3.986 5.746 ( -1.799 3.909 -0.479) 4.330 5.822 ( -0.472 0.713 -1.215) 1.486 5.945 ( -0.030 -2.187 -5.441) 5.864 5.993 ( -4.207 -9.174 0.082) 10.093 6.038 ( 4.667 2.138 2.734) 5.816 6.174 ( 5.565 -7.812 3.130) 10.089 6.523 ( -0.967 -2.446 -2.561) 3.671 6.541 ( -0.712 -3.745 -2.242) 4.422 6.820 ( -3.752 0.568 5.833) 6.958 6.842 ( -3.107 -1.166 5.657) 6.558 6.960 ( -2.450 1.944 2.904) 4.268 7.038 ( -3.567 -3.916 4.787) 7.140 7.171 ( 4.580 7.385 -5.481) 10.274 7.184 ( -3.470 2.013 -1.738) 4.371 7.234 ( 4.070 -0.365 -0.845) 4.173 7.267 ( -1.074 -3.336 -5.232) 6.298 7.427 ( 2.157 -1.646 -2.863) 3.945 7.515 ( 4.442 -8.216 -4.254) 10.263 7.787 ( -5.526 2.708 -0.061) 6.154 7.824 ( -5.267 -1.361 -1.466) 5.634 8.096 ( 2.371 3.670 -4.937) 6.593 8.156 ( 4.060 -2.263 -5.739) 7.385 8.375 ( -2.704 8.546 0.650) 8.987 8.457 ( -1.294 2.245 2.651) 3.707 8.578 ( 1.967 -1.990 -0.563) 2.854 8.611 ( 1.807 -4.337 4.087) 6.227 8.825 ( -6.850 5.553 3.846) 9.620 8.908 ( -5.700 -1.136 6.821) 8.961 9.051 ( 0.074 1.231 3.234) 3.461 9.082 ( -2.078 -2.241 6.129) 6.848 9.163 ( -0.450 3.135 2.281) 3.903 9.213 ( -0.327 -1.107 2.709) 2.945 9.448 ( 8.756 5.136 -8.079) 12.974 9.527 ( 9.137 -1.910 -8.033) 12.315 12.628 ( -2.149 6.800 3.225) 7.827 12.709 ( 1.874 6.639 -4.912) 8.469 12.776 ( -1.762 -6.720 2.284) 7.313 12.862 ( 3.031 -7.517 -3.981) 9.030 13.702 ( -5.782 3.957 -1.379) 7.141 13.793 ( -6.430 -4.987 0.310) 8.143 14.011 ( 7.572 3.724 2.872) 8.913 14.093 ( 6.263 -3.927 -0.034) 7.393 14.445 ( -13.378 5.250 14.017) 20.075 14.515 ( -18.129 -2.289 10.294) 20.973 15.143 ( 19.495 11.708 -15.811) 27.697 15.265 ( 19.513 -0.092 -14.652) 24.401 15.979 ( -4.110 1.596 -0.223) 4.414 15.998 ( -4.000 0.156 -1.488) 4.271 16.056 ( -1.376 -1.527 2.607) 3.320 16.076 ( -1.602 -3.266 2.528) 4.430 16.219 ( -1.815 0.613 -4.566) 4.951 16.249 ( -1.259 -2.132 -4.799) 5.400 16.465 ( 6.975 0.496 5.214) 8.722 16.469 ( 6.263 0.238 4.203) 7.547 17.674 ( -15.108 0.791 8.347) 17.279 17.748 ( -13.642 -6.537 7.430) 16.853 17.881 ( 1.838 3.205 -2.552) 4.490 17.949 ( -0.421 -1.841 -2.013) 2.760 18.003 ( -4.777 2.570 3.003) 6.201 18.127 ( -6.342 -7.947 4.927) 11.298 18.503 ( 12.746 3.087 -6.463) 14.620 18.575 ( 10.934 -4.140 -7.887) 14.103 ======================= Grid point 143 (77/80) ======================= q-point: ( 0.33 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -9.545 19.300 6.694) 22.548 1.857 ( -3.085 2.705 -2.530) 4.820 2.033 ( -0.110 2.865 -2.541) 3.831 2.174 ( -12.535 -10.024 4.552) 16.683 2.202 ( -0.197 4.520 7.925) 9.125 2.394 ( -2.189 -4.962 8.362) 9.967 2.516 ( 0.558 9.748 -3.592) 10.404 2.578 ( -2.753 6.084 0.421) 6.691 2.671 ( -2.947 0.198 -3.765) 4.785 2.707 ( -7.821 -7.288 0.086) 10.691 2.900 ( 1.080 0.928 2.520) 2.895 2.969 ( 2.746 -3.441 2.472) 5.049 3.112 ( 1.220 4.797 -2.715) 5.645 3.188 ( 3.056 -3.189 -3.565) 5.676 3.259 ( -1.222 2.588 -4.444) 5.286 3.372 ( -1.403 9.630 0.444) 9.742 3.384 ( -0.508 -7.518 -5.117) 9.108 3.534 ( -3.835 -2.273 -0.366) 4.473 3.582 ( -3.927 3.614 -2.392) 5.848 3.668 ( -4.909 -2.438 -5.114) 7.497 3.779 ( 2.122 10.088 -0.693) 10.332 3.942 ( -0.262 -4.691 -0.277) 4.706 4.081 ( 2.307 2.976 3.068) 4.858 4.099 ( -2.511 0.767 -0.795) 2.743 4.209 ( 7.435 1.842 8.146) 11.181 4.231 ( 4.600 -1.664 9.883) 11.028 4.291 ( 5.480 6.272 0.965) 8.384 4.386 ( 3.329 -2.445 2.432) 4.793 4.501 ( 0.212 1.883 -4.429) 4.817 4.565 ( 3.947 -2.291 -4.990) 6.763 4.656 ( 3.256 1.570 -4.651) 5.891 4.690 ( 2.525 -0.250 -2.658) 3.675 4.788 ( -1.683 7.947 -2.190) 8.414 4.893 ( 0.349 -1.618 0.523) 1.736 4.924 ( 4.332 4.086 -3.524) 6.920 4.993 ( -5.521 -3.539 -2.894) 7.168 5.015 ( 4.569 -0.129 0.398) 4.588 5.054 ( -4.325 -0.603 -0.649) 4.415 5.167 ( -1.841 1.734 3.150) 4.040 5.236 ( -3.162 -1.810 0.898) 3.752 5.362 ( 3.384 3.278 -1.543) 4.958 5.437 ( -1.374 -0.589 1.011) 1.805 5.511 ( -0.880 -2.753 4.460) 5.315 5.531 ( 0.701 -4.381 7.757) 8.936 5.621 ( 3.659 -3.268 0.295) 4.915 5.666 ( -1.478 -4.642 -0.320) 4.882 5.735 ( 0.491 3.490 -0.602) 3.576 5.819 ( 1.134 5.666 -1.480) 5.965 5.879 ( -4.048 -6.283 -1.347) 7.595 5.950 ( 1.939 -7.528 2.753) 8.247 6.137 ( 4.129 8.057 -0.105) 9.054 6.286 ( 4.399 -6.411 0.767) 7.813 6.506 ( 0.781 -2.942 -0.425) 3.074 6.522 ( 0.925 -4.089 1.116) 4.338 6.827 ( -1.636 1.299 5.151) 5.558 6.843 ( -2.520 -0.734 2.782) 3.825 6.926 ( -6.870 2.153 1.087) 7.281 6.999 ( -2.928 0.953 1.162) 3.292 7.023 ( -8.018 -2.953 -1.160) 8.623 7.087 ( -3.778 -3.883 -4.819) 7.251 7.276 ( 3.604 3.777 1.550) 5.446 7.353 ( 4.772 1.679 -1.592) 5.303 7.435 ( 3.714 1.474 -5.667) 6.934 7.572 ( 4.118 -8.330 -2.718) 9.682 7.683 ( -3.073 0.891 -2.424) 4.014 7.719 ( -1.137 -2.836 -3.565) 4.695 8.039 ( -0.687 3.680 -8.074) 8.900 8.103 ( -0.724 -2.712 -8.841) 9.276 8.396 ( 0.173 5.148 5.678) 7.666 8.455 ( -1.904 -0.348 4.973) 5.336 8.611 ( 0.099 2.372 0.109) 2.376 8.649 ( 1.015 -2.148 -1.012) 2.582 8.773 ( -4.299 2.444 6.716) 8.340 8.847 ( -6.622 -3.596 7.772) 10.825 9.050 ( -2.088 1.041 0.499) 2.386 9.073 ( -1.409 -1.382 -0.464) 2.027 9.258 ( 2.681 4.366 6.955) 8.638 9.298 ( 2.373 0.408 7.158) 7.552 9.511 ( 6.793 6.004 -8.514) 12.437 9.591 ( 6.514 -1.485 -8.937) 11.159 12.618 ( -1.976 7.275 2.774) 8.033 12.692 ( 1.541 8.710 -4.676) 10.005 12.770 ( -1.294 -7.909 2.618) 8.431 12.872 ( 2.506 -9.165 -4.965) 10.720 13.638 ( -0.999 3.224 1.534) 3.708 13.720 ( -2.882 -4.835 2.738) 6.260 14.006 ( -5.794 1.085 -4.113) 7.188 14.048 ( -7.226 -3.394 -5.573) 9.736 14.486 ( -0.546 6.283 21.481) 22.388 14.555 ( 2.976 -0.556 21.933) 22.141 15.278 ( 14.231 13.535 -22.122) 29.582 15.406 ( 14.096 1.614 -21.462) 25.728 15.922 ( -1.846 0.562 2.635) 3.266 15.935 ( -1.447 -0.059 1.827) 2.332 16.057 ( -1.244 -1.681 2.492) 3.253 16.082 ( -1.280 -3.912 3.396) 5.336 16.180 ( 1.076 0.493 -3.854) 4.031 16.212 ( 1.498 -2.366 -4.381) 5.199 16.467 ( -7.275 -0.050 -5.677) 9.228 16.485 ( -6.750 -1.715 -5.603) 8.939 17.557 ( -7.667 1.453 18.468) 20.049 17.649 ( -6.297 -7.530 15.099) 18.009 17.882 ( 1.613 1.758 -3.875) 4.551 17.929 ( 0.318 -2.628 -3.738) 4.580 18.022 ( 0.468 3.549 8.993) 9.679 18.126 ( -1.221 -6.322 8.199) 10.425 18.597 ( 6.206 0.614 -11.186) 12.807 18.617 ( 3.773 -1.400 -12.012) 12.668 ======================= Grid point 144 (78/80) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.566 13.504 8.548) 15.992 1.817 ( 2.383 5.543 -6.359) 8.766 2.026 ( -4.292 -3.758 3.582) 6.736 2.085 ( 3.837 -4.084 -0.825) 5.664 2.365 ( 2.648 -0.341 6.418) 6.951 2.395 ( -2.262 -2.498 3.911) 5.162 2.547 ( 3.223 7.314 0.427) 8.004 2.570 ( 2.210 4.896 3.775) 6.565 2.594 ( 1.296 1.318 1.179) 2.192 2.686 ( 1.320 -3.699 0.191) 3.932 2.929 ( -5.263 5.192 -6.284) 9.703 2.974 ( 2.735 1.335 -2.881) 4.191 3.100 ( -1.811 0.660 4.460) 4.859 3.193 ( 1.982 0.767 -5.527) 5.922 3.228 ( -1.011 -1.439 2.772) 3.282 3.253 ( -4.854 -7.533 -5.172) 10.346 3.340 ( -1.845 5.955 -1.773) 6.481 3.418 ( 1.545 9.645 -5.655) 11.287 3.507 ( -5.048 -6.396 2.143) 8.426 3.601 ( 4.111 -5.465 -4.453) 8.161 3.840 ( 1.883 8.737 4.304) 9.920 3.900 ( -3.899 3.182 -0.318) 5.043 4.038 ( -2.522 -2.727 2.358) 4.400 4.068 ( -2.387 -6.334 -0.568) 6.793 4.325 ( -2.266 5.631 7.174) 9.397 4.383 ( -3.565 3.452 3.477) 6.059 4.405 ( 2.113 7.102 1.321) 7.527 4.475 ( 2.121 2.070 4.998) 5.811 4.485 ( 7.524 3.336 -3.645) 9.001 4.583 ( -1.152 -0.441 -2.370) 2.672 4.636 ( 3.736 -0.832 -5.686) 6.854 4.674 ( -1.200 -3.105 -6.149) 6.992 4.764 ( 1.622 3.857 0.009) 4.184 4.839 ( -4.919 2.232 -3.765) 6.584 4.890 ( -1.753 -5.454 2.087) 6.097 4.961 ( 1.629 -5.567 -4.144) 7.128 5.017 ( 0.676 5.141 1.420) 5.376 5.050 ( 0.653 2.475 -1.224) 2.838 5.213 ( 0.044 0.226 2.953) 2.962 5.240 ( 3.019 -1.529 -0.431) 3.411 5.428 ( -7.278 0.742 3.262) 8.010 5.442 ( -1.379 1.050 2.197) 2.798 5.472 ( 7.975 -0.957 -0.658) 8.059 5.505 ( -3.983 -4.240 -1.257) 5.952 5.674 ( 0.956 -0.957 2.161) 2.549 5.715 ( 1.130 -2.796 1.631) 3.428 5.731 ( -0.530 -0.278 0.698) 0.920 5.784 ( 2.461 -6.101 -3.923) 7.660 5.924 ( 1.138 3.999 5.083) 6.567 6.000 ( 0.202 -1.087 -0.679) 1.297 6.214 ( 3.485 1.298 1.966) 4.207 6.301 ( -2.829 -5.543 -4.184) 7.499 6.575 ( 4.614 -0.264 5.478) 7.168 6.610 ( 4.376 -3.638 5.700) 8.055 6.693 ( -6.855 1.013 -6.052) 9.200 6.739 ( -7.073 -3.500 -6.216) 10.045 6.889 ( 0.214 2.523 2.637) 3.656 6.920 ( 1.103 0.989 0.768) 1.669 7.022 ( 1.084 -1.883 1.017) 2.399 7.059 ( 3.741 -3.618 -1.657) 5.462 7.317 ( -3.464 3.305 2.068) 5.215 7.354 ( -0.985 1.465 1.684) 2.440 7.470 ( 3.284 3.966 -3.204) 6.064 7.540 ( -0.221 -0.644 -6.080) 6.118 7.680 ( -0.495 -4.945 2.494) 5.560 7.716 ( 1.110 -7.062 -2.382) 7.535 7.952 ( -1.198 1.839 -2.981) 3.701 7.994 ( -1.631 -2.238 -6.709) 7.258 8.461 ( 0.954 2.584 4.846) 5.574 8.475 ( -0.867 1.345 3.217) 3.593 8.606 ( 0.409 1.213 -0.310) 1.317 8.635 ( 0.051 -1.239 -3.109) 3.347 8.800 ( -0.579 2.568 7.517) 7.965 8.845 ( 0.437 -1.358 4.182) 4.419 9.009 ( -0.787 0.684 -1.567) 1.882 9.032 ( -0.325 -1.837 -2.967) 3.505 9.342 ( -2.467 4.116 8.166) 9.472 9.377 ( -2.709 0.762 8.262) 8.728 9.532 ( 3.418 5.081 -7.465) 9.655 9.587 ( 2.234 -0.146 -9.246) 9.513 12.612 ( -1.480 7.924 2.791) 8.530 12.680 ( 1.909 8.744 -4.266) 9.915 12.778 ( -1.169 -8.833 3.303) 9.503 12.859 ( 1.686 -9.367 -5.228) 10.859 13.692 ( 3.570 1.281 3.273) 5.010 13.726 ( 0.321 -1.773 0.950) 2.037 13.863 ( -3.023 -0.453 -1.882) 3.590 13.890 ( -2.869 -2.798 -3.490) 5.314 14.712 ( -2.724 9.267 25.028) 26.827 14.831 ( -0.924 -2.564 25.141) 25.288 15.220 ( 4.783 13.648 -27.386) 30.970 15.347 ( 4.385 2.081 -28.232) 28.647 15.985 ( 4.062 -0.236 4.881) 6.355 15.992 ( 2.835 -0.026 4.712) 5.499 16.049 ( -1.103 -2.124 -0.508) 2.447 16.072 ( -2.403 -3.928 -1.637) 4.887 16.153 ( -3.139 0.966 0.987) 3.430 16.204 ( -4.766 -3.381 -2.909) 6.528 16.229 ( 0.220 0.886 -1.448) 1.712 16.273 ( -2.729 -3.702 -5.383) 7.080 17.675 ( -0.569 1.054 14.651) 14.700 17.742 ( 0.049 -5.208 10.933) 12.110 17.863 ( 1.459 0.434 -5.995) 6.185 17.888 ( 0.578 -1.877 -5.647) 5.979 18.177 ( 1.755 0.780 15.849) 15.965 18.230 ( 0.264 -4.140 13.607) 14.225 18.493 ( -1.663 1.267 -15.869) 16.006 18.526 ( 0.744 -1.977 -15.604) 15.747 ======================= Grid point 145 (79/80) ======================= q-point: (-0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 6.212 7.486 2.933) 10.160 1.830 ( 8.066 12.918 -8.499) 17.440 1.995 ( -0.589 2.891 1.444) 3.285 2.216 ( 8.324 -10.061 0.218) 13.059 2.381 ( -0.237 5.448 -1.747) 5.726 2.423 ( -3.254 10.529 -6.810) 12.954 2.521 ( -3.070 3.447 4.053) 6.143 2.591 ( 7.134 0.810 -2.687) 7.666 2.639 ( 3.910 -0.417 -2.174) 4.493 2.764 ( 5.401 -6.566 -4.047) 9.416 2.888 ( -1.101 -0.754 5.644) 5.799 2.952 ( -0.258 -4.933 -0.414) 4.957 3.102 ( -1.118 1.846 0.495) 2.214 3.137 ( -2.004 3.151 -2.328) 4.400 3.256 ( 2.626 -4.035 3.734) 6.093 3.292 ( -1.942 7.270 2.828) 8.039 3.318 ( 3.421 -1.759 5.957) 7.091 3.450 ( 4.048 8.443 -0.790) 9.396 3.519 ( 4.196 -3.604 7.019) 8.937 3.653 ( 3.714 -9.217 -6.023) 11.620 3.799 ( -3.858 9.261 -0.770) 10.062 3.943 ( 2.154 -0.181 2.954) 3.661 4.002 ( -3.159 -0.435 3.695) 4.881 4.070 ( -0.931 -2.944 6.182) 6.910 4.284 ( -7.758 4.024 1.215) 8.823 4.295 ( -5.532 1.945 2.047) 6.211 4.408 ( -8.206 1.177 -6.052) 10.264 4.461 ( -1.342 3.757 -5.283) 6.620 4.493 ( -2.254 3.234 -2.126) 4.479 4.527 ( -2.802 2.569 -0.609) 3.850 4.554 ( 0.010 0.489 -0.334) 0.592 4.653 ( -1.464 -5.167 -0.968) 5.457 4.797 ( 3.078 5.002 -0.541) 5.898 4.836 ( 0.190 0.849 5.399) 5.469 4.900 ( 1.441 1.362 -1.163) 2.298 4.976 ( 4.255 -4.505 -0.143) 6.199 5.034 ( -0.317 -1.147 -1.094) 1.617 5.062 ( 1.902 -1.520 -1.131) 2.685 5.202 ( -0.028 3.761 -1.011) 3.895 5.265 ( 0.163 -0.927 -0.925) 1.320 5.316 ( -2.481 5.100 1.845) 5.964 5.448 ( 0.093 -6.132 1.599) 6.338 5.554 ( 3.661 2.985 3.093) 5.646 5.579 ( 0.660 -2.614 -1.101) 2.912 5.627 ( -4.146 -1.583 -1.754) 4.772 5.708 ( 2.136 -6.932 -3.304) 7.971 5.744 ( -0.389 1.724 -1.008) 2.034 5.846 ( 1.111 0.420 1.720) 2.090 5.861 ( 0.134 1.047 -5.108) 5.216 6.017 ( -1.258 -5.642 -1.652) 6.012 6.145 ( -6.038 3.751 -2.383) 7.497 6.272 ( -0.951 -6.987 2.690) 7.547 6.526 ( -3.278 -0.018 -3.053) 4.480 6.572 ( -3.255 -3.937 -3.793) 6.363 6.771 ( 5.985 1.575 6.933) 9.294 6.814 ( 5.673 -3.418 6.708) 9.427 6.925 ( 3.522 2.798 0.292) 4.508 6.989 ( 5.976 -1.822 0.550) 6.271 7.055 ( 5.287 4.031 -4.888) 8.251 7.165 ( 8.048 -3.875 -6.241) 10.897 7.241 ( -5.356 4.929 3.719) 8.174 7.338 ( -4.831 -3.722 4.501) 7.580 7.420 ( -2.182 2.728 -6.662) 7.522 7.533 ( -1.054 -3.799 -1.496) 4.216 7.654 ( -2.111 -3.134 1.550) 4.084 7.674 ( -0.890 -3.755 1.973) 4.334 7.937 ( -1.066 0.956 1.477) 2.057 7.965 ( 0.156 -1.883 3.422) 3.909 8.461 ( -1.169 4.877 -1.142) 5.143 8.517 ( 0.976 -0.077 1.130) 1.495 8.608 ( 0.485 1.889 -1.974) 2.775 8.633 ( 1.481 -1.394 0.062) 2.035 8.858 ( 2.034 4.334 0.636) 4.829 8.942 ( 6.390 -2.757 -0.051) 6.959 9.025 ( 2.472 0.395 1.871) 3.125 9.038 ( 3.076 -1.565 0.284) 3.463 9.311 ( -7.904 5.918 6.625) 11.891 9.366 ( -6.329 0.497 7.543) 9.859 9.476 ( -2.815 1.819 -7.008) 7.768 9.489 ( -2.488 0.615 -8.118) 8.513 12.616 ( -1.244 8.040 3.133) 8.718 12.683 ( 2.713 7.383 -3.937) 8.797 12.785 ( -1.482 -8.631 3.069) 9.279 12.843 ( 1.576 -8.331 -4.031) 9.388 13.687 ( 0.246 4.215 -3.530) 5.503 13.784 ( 3.376 -5.030 -3.666) 7.081 13.911 ( 5.550 0.502 5.191) 7.616 13.944 ( 6.474 -2.696 5.296) 8.788 14.828 ( -10.684 10.068 23.813) 27.975 14.940 ( -4.830 6.144 -12.631) 14.853 14.953 ( -8.624 2.352 -0.212) 8.941 15.052 ( -5.090 -0.688 -17.503) 18.241 15.983 ( -0.049 0.437 -2.583) 2.620 15.991 ( -0.405 0.181 -2.902) 2.936 16.070 ( -0.299 0.967 3.478) 3.622 16.091 ( 1.622 -0.057 0.401) 1.672 16.126 ( -0.919 -2.653 3.535) 4.514 16.174 ( 1.309 -5.673 -2.689) 6.413 16.362 ( 9.091 0.119 4.635) 10.206 16.376 ( 9.406 -1.231 5.143) 10.791 17.765 ( -1.009 1.422 6.371) 6.606 17.817 ( 1.442 -1.951 -2.627) 3.576 17.842 ( 1.592 -1.842 1.048) 2.650 17.857 ( 3.283 -1.512 -6.611) 7.535 18.281 ( -2.652 3.311 -16.012) 16.565 18.336 ( -2.853 -0.882 15.369) 15.656 18.359 ( -1.003 -4.133 -8.422) 9.435 18.363 ( -1.105 -3.377 6.716) 7.598 ======================= Grid point 146 (80/80) ======================= q-point: (-0.17 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 6.818 11.702 -5.112) 14.476 1.974 ( 9.880 6.246 -0.616) 11.705 2.072 ( 7.789 13.806 3.417) 16.216 2.254 ( -3.568 11.333 -1.774) 12.013 2.351 ( -0.596 11.289 -3.340) 11.788 2.421 ( 10.137 -9.803 0.896) 14.130 2.565 ( -1.517 2.219 5.308) 5.950 2.650 ( 4.548 -11.414 -4.710) 13.159 2.730 ( 6.265 -0.328 -1.087) 6.367 2.860 ( 0.731 -8.217 2.369) 8.583 2.926 ( 1.725 3.276 3.651) 5.200 2.965 ( 1.689 -0.105 -0.774) 1.861 3.055 ( -1.138 1.886 -1.434) 2.628 3.137 ( 3.851 -2.008 -1.315) 4.538 3.247 ( -2.652 3.581 1.291) 4.639 3.312 ( -0.406 -5.310 1.590) 5.558 3.443 ( 2.741 7.708 0.732) 8.213 3.547 ( 0.243 2.343 2.857) 3.703 3.636 ( 1.703 3.012 0.285) 3.472 3.711 ( 5.209 -3.703 8.400) 10.555 3.747 ( -0.255 7.622 -0.234) 7.630 3.887 ( -6.295 -3.848 -1.598) 7.549 4.020 ( -7.295 1.182 -6.126) 9.599 4.085 ( -3.027 2.300 5.492) 6.680 4.104 ( -5.619 -1.699 -4.125) 7.175 4.148 ( -4.852 -1.632 3.828) 6.392 4.250 ( -2.715 -1.833 -1.834) 3.754 4.297 ( -4.634 -7.228 -1.341) 8.690 4.455 ( -2.177 6.115 -1.885) 6.759 4.489 ( -3.607 7.369 2.771) 8.660 4.562 ( -4.621 -2.971 -1.473) 5.688 4.595 ( -1.947 -1.329 1.561) 2.828 4.844 ( 0.057 2.435 2.046) 3.181 4.861 ( 2.954 2.183 1.251) 3.880 4.922 ( 4.102 3.479 -3.814) 6.594 4.999 ( 1.358 -2.649 -4.798) 5.647 5.077 ( 3.071 1.024 0.958) 3.376 5.151 ( 4.122 -4.680 1.010) 6.318 5.212 ( 0.204 3.155 -1.524) 3.510 5.284 ( -0.550 2.851 4.341) 5.223 5.301 ( 0.138 2.418 -1.574) 2.889 5.426 ( -3.817 -6.630 0.992) 7.715 5.485 ( -0.170 2.618 -4.446) 5.162 5.565 ( 0.229 -4.743 -4.315) 6.416 5.651 ( 0.611 -1.058 2.576) 2.851 5.678 ( -1.694 -4.033 -2.710) 5.146 5.742 ( -0.707 9.776 -2.800) 10.194 5.775 ( 2.563 5.692 3.106) 6.972 5.906 ( -2.590 -8.677 -2.253) 9.332 6.000 ( 5.257 -10.627 0.203) 11.858 6.087 ( -1.947 4.327 -1.519) 4.982 6.229 ( -3.093 -7.038 -2.198) 7.996 6.487 ( 0.395 -1.801 0.320) 1.872 6.521 ( -0.428 -3.983 -0.224) 4.012 6.871 ( -0.289 0.008 2.603) 2.619 6.888 ( 0.958 -2.353 -0.325) 2.562 7.049 ( 3.849 6.816 3.484) 8.568 7.094 ( 5.209 5.523 -8.993) 11.769 7.130 ( -0.486 -0.766 -0.923) 1.294 7.161 ( 0.266 -1.862 1.629) 2.488 7.194 ( 0.642 2.830 0.540) 2.952 7.305 ( -2.123 1.390 -3.860) 4.619 7.366 ( 4.195 -9.824 -1.072) 10.736 7.435 ( -3.870 -8.634 1.402) 9.565 7.735 ( 4.294 1.704 5.764) 7.387 7.760 ( 4.752 -0.547 5.016) 6.931 7.958 ( -0.788 2.698 7.148) 7.681 8.009 ( -1.370 -2.581 7.689) 8.225 8.415 ( -1.292 6.830 -2.844) 7.510 8.519 ( 0.057 -2.993 -1.633) 3.410 8.586 ( -1.478 4.662 -2.327) 5.416 8.657 ( 1.148 -2.557 -0.847) 2.928 8.888 ( 1.315 4.937 -2.294) 5.601 8.992 ( 0.095 -4.233 -1.958) 4.665 9.116 ( 1.669 3.479 2.751) 4.739 9.142 ( 6.044 1.142 -2.034) 6.479 9.231 ( -2.451 5.106 0.230) 5.668 9.301 ( -6.097 -1.530 2.464) 6.752 9.315 ( -3.539 1.842 -3.401) 5.243 9.369 ( -6.030 -2.439 1.032) 6.586 12.625 ( -1.383 7.422 3.588) 8.359 12.700 ( 3.064 5.343 -3.989) 7.338 12.786 ( -1.208 -7.054 2.490) 7.577 12.839 ( 1.632 -6.857 -3.069) 7.688 13.701 ( 4.078 5.498 -1.528) 7.014 13.822 ( 4.940 -6.210 -2.812) 8.419 14.036 ( -0.614 1.430 0.950) 1.823 14.076 ( -0.234 -2.422 2.011) 3.157 14.734 ( 4.507 5.511 -15.124) 16.715 14.756 ( 5.970 3.276 -11.429) 13.304 14.798 ( -13.096 9.799 16.035) 22.905 14.951 ( -13.988 -5.209 15.969) 21.859 15.993 ( 2.345 1.021 -0.886) 2.707 15.999 ( 2.192 1.060 -0.928) 2.605 16.094 ( -0.852 0.035 2.451) 2.595 16.099 ( 0.993 1.558 -0.548) 1.927 16.156 ( 1.705 -3.092 0.828) 3.627 16.184 ( 2.599 -4.166 -0.955) 5.002 16.502 ( -0.231 0.360 0.474) 0.638 16.515 ( -0.587 -0.846 0.149) 1.040 17.791 ( -0.040 2.536 2.581) 3.619 17.831 ( 4.588 0.778 -4.244) 6.299 17.884 ( -0.039 -3.823 2.635) 4.643 17.898 ( 6.397 -2.773 -4.402) 8.245 18.145 ( 4.413 5.640 -10.900) 13.042 18.270 ( 5.761 -6.382 -10.133) 13.289 18.343 ( -9.704 0.247 9.873) 13.846 18.397 ( -7.941 -5.021 10.275) 13.923 =================== 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 3/29160 10.0 883.580 713.218 798.107 0.000 170.848 0.000 3/29160 20.0 143.596 146.670 178.809 0.000 -1.891 0.000 3/29160 30.0 48.818 51.981 60.261 0.000 -1.370 0.000 3/29160 40.0 24.512 26.621 29.930 0.000 -0.643 0.000 3/29160 50.0 15.222 16.727 18.452 0.000 -0.353 0.000 3/29160 60.0 10.727 11.872 12.930 0.000 -0.219 0.000 3/29160 70.0 8.193 9.110 9.829 0.000 -0.149 0.000 3/29160 80.0 6.605 7.369 7.893 0.000 -0.109 0.000 3/29160 90.0 5.531 6.187 6.588 0.000 -0.084 0.000 3/29160 100.0 4.761 5.337 5.656 0.000 -0.067 0.000 3/29160 110.0 4.185 4.700 4.961 0.000 -0.056 0.000 3/29160 120.0 3.738 4.205 4.423 0.000 -0.047 0.000 3/29160 130.0 3.381 3.810 3.996 0.000 -0.041 0.000 3/29160 140.0 3.090 3.487 3.647 0.000 -0.036 0.000 3/29160 150.0 2.848 3.218 3.359 0.000 -0.032 0.000 3/29160 160.0 2.643 2.990 3.115 0.000 -0.028 0.000 3/29160 170.0 2.468 2.795 2.906 0.000 -0.026 0.000 3/29160 180.0 2.316 2.625 2.726 0.000 -0.023 0.000 3/29160 190.0 2.182 2.476 2.568 0.000 -0.021 0.000 3/29160 200.0 2.064 2.344 2.428 0.000 -0.019 0.000 3/29160 210.0 1.959 2.227 2.304 0.000 -0.018 0.000 3/29160 220.0 1.865 2.121 2.192 0.000 -0.016 0.000 3/29160 230.0 1.780 2.025 2.091 0.000 -0.015 0.000 3/29160 240.0 1.702 1.938 2.000 0.000 -0.014 0.000 3/29160 250.0 1.632 1.859 1.917 0.000 -0.013 0.000 3/29160 260.0 1.567 1.786 1.840 0.000 -0.012 0.000 3/29160 270.0 1.507 1.719 1.770 0.000 -0.011 0.000 3/29160 280.0 1.452 1.656 1.705 0.000 -0.011 0.000 3/29160 290.0 1.401 1.599 1.645 0.000 -0.010 0.000 3/29160 300.0 1.354 1.545 1.589 0.000 -0.009 0.000 3/29160 310.0 1.309 1.495 1.537 0.000 -0.009 0.000 3/29160 320.0 1.268 1.448 1.488 0.000 -0.008 0.000 3/29160 330.0 1.229 1.404 1.443 0.000 -0.008 0.000 3/29160 340.0 1.193 1.363 1.400 0.000 -0.007 0.000 3/29160 350.0 1.158 1.324 1.359 0.000 -0.007 0.000 3/29160 360.0 1.126 1.287 1.321 0.000 -0.007 0.000 3/29160 370.0 1.095 1.252 1.285 0.000 -0.006 0.000 3/29160 380.0 1.066 1.219 1.251 0.000 -0.006 0.000 3/29160 390.0 1.039 1.188 1.219 0.000 -0.006 0.000 3/29160 400.0 1.013 1.159 1.188 0.000 -0.005 0.000 3/29160 410.0 0.988 1.131 1.159 0.000 -0.005 0.000 3/29160 420.0 0.964 1.104 1.132 0.000 -0.005 0.000 3/29160 430.0 0.942 1.078 1.105 0.000 -0.005 0.000 3/29160 440.0 0.921 1.054 1.080 0.000 -0.005 0.000 3/29160 450.0 0.900 1.030 1.056 0.000 -0.004 0.000 3/29160 460.0 0.881 1.008 1.033 0.000 -0.004 0.000 3/29160 470.0 0.862 0.987 1.011 0.000 -0.004 0.000 3/29160 480.0 0.844 0.966 0.990 0.000 -0.004 0.000 3/29160 490.0 0.827 0.947 0.970 0.000 -0.004 0.000 3/29160 500.0 0.810 0.928 0.950 0.000 -0.004 0.000 3/29160 510.0 0.794 0.910 0.932 0.000 -0.004 0.000 3/29160 520.0 0.779 0.892 0.914 0.000 -0.003 0.000 3/29160 530.0 0.764 0.876 0.897 0.000 -0.003 0.000 3/29160 540.0 0.750 0.860 0.880 0.000 -0.003 0.000 3/29160 550.0 0.737 0.844 0.864 0.000 -0.003 0.000 3/29160 560.0 0.724 0.829 0.849 0.000 -0.003 0.000 3/29160 570.0 0.711 0.815 0.834 0.000 -0.003 0.000 3/29160 580.0 0.699 0.801 0.819 0.000 -0.003 0.000 3/29160 590.0 0.687 0.787 0.806 0.000 -0.003 0.000 3/29160 600.0 0.675 0.774 0.792 0.000 -0.003 0.000 3/29160 610.0 0.664 0.761 0.779 0.000 -0.003 0.000 3/29160 620.0 0.654 0.749 0.767 0.000 -0.003 0.000 3/29160 630.0 0.643 0.737 0.755 0.000 -0.003 0.000 3/29160 640.0 0.633 0.726 0.743 0.000 -0.002 0.000 3/29160 650.0 0.624 0.715 0.731 0.000 -0.002 0.000 3/29160 660.0 0.614 0.704 0.720 0.000 -0.002 0.000 3/29160 670.0 0.605 0.693 0.710 0.000 -0.002 0.000 3/29160 680.0 0.596 0.683 0.699 0.000 -0.002 0.000 3/29160 690.0 0.587 0.673 0.689 0.000 -0.002 0.000 3/29160 700.0 0.579 0.664 0.679 0.000 -0.002 0.000 3/29160 710.0 0.571 0.655 0.670 0.000 -0.002 0.000 3/29160 720.0 0.563 0.646 0.660 0.000 -0.002 0.000 3/29160 730.0 0.555 0.637 0.651 0.000 -0.002 0.000 3/29160 740.0 0.548 0.628 0.643 0.000 -0.002 0.000 3/29160 750.0 0.541 0.620 0.634 0.000 -0.002 0.000 3/29160 760.0 0.533 0.612 0.626 0.000 -0.002 0.000 3/29160 770.0 0.527 0.604 0.618 0.000 -0.002 0.000 3/29160 780.0 0.520 0.596 0.610 0.000 -0.002 0.000 3/29160 790.0 0.513 0.589 0.602 0.000 -0.002 0.000 3/29160 800.0 0.507 0.581 0.594 0.000 -0.002 0.000 3/29160 810.0 0.501 0.574 0.587 0.000 -0.002 0.000 3/29160 820.0 0.495 0.567 0.580 0.000 -0.002 0.000 3/29160 830.0 0.489 0.560 0.573 0.000 -0.002 0.000 3/29160 840.0 0.483 0.554 0.566 0.000 -0.002 0.000 3/29160 850.0 0.477 0.547 0.560 0.000 -0.002 0.000 3/29160 860.0 0.472 0.541 0.553 0.000 -0.002 0.000 3/29160 870.0 0.466 0.535 0.547 0.000 -0.002 0.000 3/29160 880.0 0.461 0.529 0.540 0.000 -0.002 0.000 3/29160 890.0 0.456 0.523 0.534 0.000 -0.002 0.000 3/29160 900.0 0.451 0.517 0.528 0.000 -0.002 0.000 3/29160 910.0 0.446 0.511 0.523 0.000 -0.002 0.000 3/29160 920.0 0.441 0.506 0.517 0.000 -0.001 0.000 3/29160 930.0 0.436 0.500 0.511 0.000 -0.001 0.000 3/29160 940.0 0.431 0.495 0.506 0.000 -0.001 0.000 3/29160 950.0 0.427 0.490 0.501 0.000 -0.001 0.000 3/29160 960.0 0.423 0.485 0.495 0.000 -0.001 0.000 3/29160 970.0 0.418 0.480 0.490 0.000 -0.001 0.000 3/29160 980.0 0.414 0.475 0.485 0.000 -0.001 0.000 3/29160 990.0 0.410 0.470 0.480 0.000 -0.001 0.000 3/29160 1000.0 0.406 0.465 0.476 0.000 -0.001 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m695.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:26:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|