----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:34:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.669024041861048 0.000000000000000 0.000000000000000 b 0.000000000000000 7.611823810000002 0.000000000000000 c -8.153870274463724 0.000000000000000 9.434786387574569 Atomic positions (fractional): *1 B 0.34754328857352 0.42089161478262 0.26302933884445 10.811 *2 B 0.48379025767015 0.81247444943249 0.91479301234637 10.811 3 B 0.51620974232985 0.31247444943249 0.58520698765363 10.811 4 B 0.51620974232985 0.18752555056751 0.08520698765363 10.811 5 B 0.48379025767015 0.68752555056751 0.41479301234637 10.811 *6 B 0.15394651517256 0.09814549220535 0.50058066500809 10.811 7 B 0.84605348482744 0.59814549220535 0.99941933499191 10.811 8 B 0.84605348482744 0.90185450779465 0.49941933499191 10.811 9 B 0.15394651517256 0.40185450779465 0.00058066500809 10.811 10 B 0.65245671142648 0.92089161478262 0.23697066115555 10.811 11 B 0.65245671142648 0.57910838521738 0.73697066115555 10.811 12 B 0.34754328857352 0.07910838521738 0.76302933884445 10.811 *13 B 0.90874518506392 0.67318485521439 0.39128038666328 10.811 14 B 0.09125481493608 0.17318485521439 0.10871961333673 10.811 15 B 0.09125481493608 0.32681514478561 0.60871961333672 10.811 16 B 0.90874518506392 0.82681514478561 0.89128038666328 10.811 *17 B 0.72716839383941 0.46764568961876 0.44683614844592 10.811 18 B 0.27283160616059 0.96764568961875 0.05316385155408 10.811 19 B 0.27283160616059 0.53235431038125 0.55316385155408 10.811 20 B 0.72716839383941 0.03235431038124 0.94683614844592 10.811 *21 O 0.79680628581962 0.78670753836805 0.26427946349433 15.999 *22 O 0.56976355507591 0.34951948828424 0.06888519370002 15.999 23 O 0.43023644492409 0.84951948828424 0.43111480629998 15.999 24 O 0.43023644492409 0.65048051171576 0.93111480629998 15.999 25 O 0.56976355507591 0.15048051171576 0.56888519370002 15.999 *26 O 0.88354923874161 0.54568037374566 0.11749143959421 15.999 27 O 0.11645076125839 0.04568037374566 0.38250856040579 15.999 28 O 0.11645076125839 0.45431962625434 0.88250856040579 15.999 29 O 0.20319371418038 0.28670753836805 0.23572053650567 15.999 30 O 0.88354923874161 0.95431962625434 0.61749143959421 15.999 31 O 0.79680628581962 0.71329246163195 0.76427946349433 15.999 32 O 0.20319371418038 0.21329246163195 0.73572053650567 15.999 *33 O 0.31562944134762 0.46438576689401 0.13295229101090 15.999 34 O 0.68437055865238 0.96438576689401 0.36704770898910 15.999 35 O 0.68437055865238 0.53561423310599 0.86704770898910 15.999 36 O 0.31562944134762 0.03561423310599 0.63295229101090 15.999 *37 O 0.31974998785065 0.58632660028027 0.30916628426556 15.999 38 O 0.68025001214935 0.08632660028027 0.19083371573443 15.999 39 O 0.68025001214935 0.41367339971973 0.69083371573443 15.999 40 O 0.31974998785065 0.91367339971973 0.80916628426557 15.999 *41 O 0.55287826721122 0.34863938347596 0.36975998597014 15.999 42 O 0.44712173278878 0.84863938347596 0.13024001402986 15.999 43 O 0.44712173278878 0.65136061652404 0.63024001402986 15.999 44 O 0.55287826721122 0.15136061652404 0.86975998597014 15.999 *45 O 0.76835123897476 0.52466930675499 0.35288379231403 15.999 46 O 0.23164876102524 0.02466930675499 0.14711620768597 15.999 47 O 0.23164876102524 0.47533069324501 0.64711620768597 15.999 48 O 0.76835123897476 0.97533069324501 0.85288379231403 15.999 *49 O 0.08900860832515 0.60571775044812 0.41539793030210 15.999 50 O 0.91099139167485 0.10571775044812 0.08460206969790 15.999 51 O 0.91099139167485 0.39428224955188 0.58460206969790 15.999 *52 O 0.67886281706856 0.87231083743488 0.99087907674301 15.999 *53 O 0.97366888324446 0.77434792066722 0.51400126646540 15.999 54 O 0.02633111675554 0.27434792066722 0.98599873353460 15.999 55 O 0.02633111675554 0.22565207933278 0.48599873353460 15.999 56 O 0.97366888324446 0.72565207933278 0.01400126646540 15.999 57 O 0.67886281706856 0.62768916256512 0.49087907674301 15.999 58 O 0.32113718293144 0.12768916256512 0.00912092325699 15.999 59 O 0.32113718293144 0.37231083743488 0.50912092325699 15.999 60 O 0.08900860832515 0.89428224955188 0.91539793030210 15.999 *61 Zn 0.51556527418797 0.58793575832387 0.12411005355590 65.380 62 Zn 0.48443472581203 0.08793575832387 0.37588994644410 65.380 63 Zn 0.48443472581203 0.41206424167613 0.87588994644410 65.380 64 Zn 0.51556527418797 0.91206424167613 0.62411005355590 65.380 *65 Nd 0.05431900479223 0.81630342788108 0.23577952935269 144.242 66 Nd 0.94568099520777 0.31630342788108 0.26422047064731 144.242 67 Nd 0.94568099520777 0.18369657211892 0.76422047064731 144.242 68 Nd 0.05431900479223 0.68369657211892 0.73577952935269 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.669024041861048 0.000000000000000 0.000000000000000 b 0.000000000000000 7.611823810000002 0.000000000000000 c -8.153870274463724 0.000000000000000 9.434786387574569 Atomic positions (fractional): *1 B 0.34754328857352 0.42089161478262 0.26302933884445 10.811 > 1 *2 B 0.48379025767015 0.81247444943249 0.91479301234637 10.811 > 2 3 B 0.51620974232985 0.31247444943249 0.58520698765363 10.811 > 3 4 B 0.51620974232985 0.18752555056751 0.08520698765363 10.811 > 4 5 B 0.48379025767015 0.68752555056751 0.41479301234637 10.811 > 5 *6 B 0.15394651517256 0.09814549220535 0.50058066500809 10.811 > 6 7 B 0.84605348482744 0.59814549220535 0.99941933499191 10.811 > 7 8 B 0.84605348482744 0.90185450779465 0.49941933499191 10.811 > 8 9 B 0.15394651517256 0.40185450779465 0.00058066500809 10.811 > 9 10 B 0.65245671142648 0.92089161478262 0.23697066115555 10.811 > 10 11 B 0.65245671142648 0.57910838521738 0.73697066115555 10.811 > 11 12 B 0.34754328857352 0.07910838521738 0.76302933884445 10.811 > 12 *13 B 0.90874518506392 0.67318485521439 0.39128038666328 10.811 > 13 14 B 0.09125481493608 0.17318485521439 0.10871961333673 10.811 > 14 15 B 0.09125481493608 0.32681514478561 0.60871961333672 10.811 > 15 16 B 0.90874518506392 0.82681514478561 0.89128038666328 10.811 > 16 *17 B 0.72716839383941 0.46764568961876 0.44683614844592 10.811 > 17 18 B 0.27283160616059 0.96764568961875 0.05316385155408 10.811 > 18 19 B 0.27283160616059 0.53235431038125 0.55316385155408 10.811 > 19 20 B 0.72716839383941 0.03235431038124 0.94683614844592 10.811 > 20 *21 O 0.79680628581962 0.78670753836805 0.26427946349433 15.999 > 21 *22 O 0.56976355507591 0.34951948828424 0.06888519370002 15.999 > 22 23 O 0.43023644492409 0.84951948828424 0.43111480629998 15.999 > 23 24 O 0.43023644492409 0.65048051171576 0.93111480629998 15.999 > 24 25 O 0.56976355507591 0.15048051171576 0.56888519370002 15.999 > 25 *26 O 0.88354923874161 0.54568037374566 0.11749143959421 15.999 > 26 27 O 0.11645076125839 0.04568037374566 0.38250856040579 15.999 > 27 28 O 0.11645076125839 0.45431962625434 0.88250856040579 15.999 > 28 29 O 0.20319371418038 0.28670753836805 0.23572053650567 15.999 > 29 30 O 0.88354923874161 0.95431962625434 0.61749143959421 15.999 > 30 31 O 0.79680628581962 0.71329246163195 0.76427946349433 15.999 > 31 32 O 0.20319371418038 0.21329246163195 0.73572053650567 15.999 > 32 *33 O 0.31562944134762 0.46438576689401 0.13295229101090 15.999 > 33 34 O 0.68437055865238 0.96438576689401 0.36704770898910 15.999 > 34 35 O 0.68437055865238 0.53561423310599 0.86704770898910 15.999 > 35 36 O 0.31562944134762 0.03561423310599 0.63295229101090 15.999 > 36 *37 O 0.31974998785065 0.58632660028027 0.30916628426556 15.999 > 37 38 O 0.68025001214935 0.08632660028027 0.19083371573443 15.999 > 38 39 O 0.68025001214935 0.41367339971973 0.69083371573443 15.999 > 39 40 O 0.31974998785065 0.91367339971973 0.80916628426557 15.999 > 40 *41 O 0.55287826721122 0.34863938347596 0.36975998597014 15.999 > 41 42 O 0.44712173278878 0.84863938347596 0.13024001402986 15.999 > 42 43 O 0.44712173278878 0.65136061652404 0.63024001402986 15.999 > 43 44 O 0.55287826721122 0.15136061652404 0.86975998597014 15.999 > 44 *45 O 0.76835123897476 0.52466930675499 0.35288379231403 15.999 > 45 46 O 0.23164876102524 0.02466930675499 0.14711620768597 15.999 > 46 47 O 0.23164876102524 0.47533069324501 0.64711620768597 15.999 > 47 48 O 0.76835123897476 0.97533069324501 0.85288379231403 15.999 > 48 *49 O 0.08900860832515 0.60571775044812 0.41539793030210 15.999 > 49 50 O 0.91099139167485 0.10571775044812 0.08460206969790 15.999 > 50 51 O 0.91099139167485 0.39428224955188 0.58460206969790 15.999 > 51 *52 O 0.67886281706856 0.87231083743488 0.99087907674301 15.999 > 52 *53 O 0.97366888324446 0.77434792066722 0.51400126646540 15.999 > 53 54 O 0.02633111675554 0.27434792066722 0.98599873353460 15.999 > 54 55 O 0.02633111675554 0.22565207933278 0.48599873353460 15.999 > 55 56 O 0.97366888324446 0.72565207933278 0.01400126646540 15.999 > 56 57 O 0.67886281706856 0.62768916256512 0.49087907674301 15.999 > 57 58 O 0.32113718293144 0.12768916256512 0.00912092325699 15.999 > 58 59 O 0.32113718293144 0.37231083743488 0.50912092325699 15.999 > 59 60 O 0.08900860832515 0.89428224955188 0.91539793030210 15.999 > 60 *61 Zn 0.51556527418797 0.58793575832387 0.12411005355590 65.380 > 61 62 Zn 0.48443472581203 0.08793575832387 0.37588994644410 65.380 > 62 63 Zn 0.48443472581203 0.41206424167613 0.87588994644410 65.380 > 63 64 Zn 0.51556527418797 0.91206424167613 0.62411005355590 65.380 > 64 *65 Nd 0.05431900479223 0.81630342788108 0.23577952935269 144.242 > 65 66 Nd 0.94568099520777 0.31630342788108 0.26422047064731 144.242 > 66 67 Nd 0.94568099520777 0.18369657211892 0.76422047064731 144.242 > 67 68 Nd 0.05431900479223 0.68369657211892 0.73577952935269 144.242 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.669024041861048 0.000000000000000 0.000000000000000 b 0.000000000000000 15.223647620000005 0.000000000000000 c -8.153870274463724 0.000000000000000 9.434786387574569 Atomic positions (fractional): *1 B 0.34754328857352 0.21044580739131 0.26302933884445 10.811 > 1 2 B 0.34754328857352 0.71044580739131 0.26302933884445 10.811 > 1 *3 B 0.48379025767015 0.40623722471625 0.91479301234637 10.811 > 2 4 B 0.48379025767015 0.90623722471625 0.91479301234637 10.811 > 2 5 B 0.51620974232985 0.15623722471625 0.58520698765363 10.811 > 3 6 B 0.51620974232985 0.65623722471625 0.58520698765363 10.811 > 3 7 B 0.51620974232985 0.09376277528375 0.08520698765363 10.811 > 4 8 B 0.51620974232985 0.59376277528375 0.08520698765363 10.811 > 4 9 B 0.48379025767015 0.34376277528375 0.41479301234637 10.811 > 5 10 B 0.48379025767015 0.84376277528375 0.41479301234637 10.811 > 5 *11 B 0.15394651517256 0.04907274610268 0.50058066500809 10.811 > 6 12 B 0.15394651517256 0.54907274610267 0.50058066500809 10.811 > 6 13 B 0.84605348482744 0.29907274610267 0.99941933499191 10.811 > 7 14 B 0.84605348482744 0.79907274610267 0.99941933499191 10.811 > 7 15 B 0.84605348482744 0.45092725389733 0.49941933499191 10.811 > 8 16 B 0.84605348482744 0.95092725389733 0.49941933499191 10.811 > 8 17 B 0.15394651517256 0.20092725389732 0.00058066500809 10.811 > 9 18 B 0.15394651517256 0.70092725389733 0.00058066500809 10.811 > 9 19 B 0.65245671142648 0.46044580739131 0.23697066115555 10.811 > 10 20 B 0.65245671142648 0.96044580739131 0.23697066115555 10.811 > 10 21 B 0.65245671142648 0.28955419260869 0.73697066115555 10.811 > 11 22 B 0.65245671142648 0.78955419260869 0.73697066115555 10.811 > 11 23 B 0.34754328857352 0.03955419260869 0.76302933884445 10.811 > 12 24 B 0.34754328857352 0.53955419260869 0.76302933884445 10.811 > 12 *25 B 0.90874518506392 0.33659242760719 0.39128038666328 10.811 > 13 26 B 0.90874518506392 0.83659242760719 0.39128038666328 10.811 > 13 27 B 0.09125481493608 0.08659242760720 0.10871961333673 10.811 > 14 28 B 0.09125481493608 0.58659242760719 0.10871961333673 10.811 > 14 29 B 0.09125481493608 0.16340757239281 0.60871961333672 10.811 > 15 30 B 0.09125481493608 0.66340757239281 0.60871961333672 10.811 > 15 31 B 0.90874518506392 0.41340757239281 0.89128038666328 10.811 > 16 32 B 0.90874518506392 0.91340757239281 0.89128038666328 10.811 > 16 *33 B 0.72716839383941 0.23382284480938 0.44683614844592 10.811 > 17 34 B 0.72716839383941 0.73382284480938 0.44683614844592 10.811 > 17 35 B 0.27283160616059 0.48382284480938 0.05316385155408 10.811 > 18 36 B 0.27283160616059 0.98382284480938 0.05316385155408 10.811 > 18 37 B 0.27283160616059 0.26617715519062 0.55316385155408 10.811 > 19 38 B 0.27283160616059 0.76617715519062 0.55316385155408 10.811 > 19 39 B 0.72716839383941 0.01617715519062 0.94683614844592 10.811 > 20 40 B 0.72716839383941 0.51617715519062 0.94683614844592 10.811 > 20 *41 O 0.79680628581962 0.39335376918402 0.26427946349433 15.999 > 21 42 O 0.79680628581962 0.89335376918402 0.26427946349433 15.999 > 21 *43 O 0.56976355507591 0.17475974414212 0.06888519370002 15.999 > 22 44 O 0.56976355507591 0.67475974414212 0.06888519370002 15.999 > 22 45 O 0.43023644492409 0.42475974414212 0.43111480629998 15.999 > 23 46 O 0.43023644492409 0.92475974414212 0.43111480629998 15.999 > 23 47 O 0.43023644492409 0.32524025585788 0.93111480629998 15.999 > 24 48 O 0.43023644492409 0.82524025585788 0.93111480629998 15.999 > 24 49 O 0.56976355507591 0.07524025585788 0.56888519370002 15.999 > 25 50 O 0.56976355507591 0.57524025585788 0.56888519370002 15.999 > 25 *51 O 0.88354923874161 0.27284018687283 0.11749143959421 15.999 > 26 52 O 0.88354923874161 0.77284018687283 0.11749143959421 15.999 > 26 53 O 0.11645076125839 0.02284018687283 0.38250856040579 15.999 > 27 54 O 0.11645076125839 0.52284018687283 0.38250856040579 15.999 > 27 55 O 0.11645076125839 0.22715981312717 0.88250856040579 15.999 > 28 56 O 0.11645076125839 0.72715981312717 0.88250856040579 15.999 > 28 57 O 0.20319371418038 0.14335376918402 0.23572053650567 15.999 > 29 58 O 0.20319371418038 0.64335376918402 0.23572053650567 15.999 > 29 59 O 0.88354923874161 0.47715981312717 0.61749143959421 15.999 > 30 60 O 0.88354923874161 0.97715981312717 0.61749143959421 15.999 > 30 61 O 0.79680628581962 0.35664623081598 0.76427946349433 15.999 > 31 62 O 0.79680628581962 0.85664623081598 0.76427946349433 15.999 > 31 63 O 0.20319371418038 0.10664623081598 0.73572053650567 15.999 > 32 64 O 0.20319371418038 0.60664623081598 0.73572053650567 15.999 > 32 *65 O 0.31562944134762 0.23219288344700 0.13295229101090 15.999 > 33 66 O 0.31562944134762 0.73219288344700 0.13295229101090 15.999 > 33 67 O 0.68437055865238 0.48219288344700 0.36704770898910 15.999 > 34 68 O 0.68437055865238 0.98219288344700 0.36704770898910 15.999 > 34 69 O 0.68437055865238 0.26780711655300 0.86704770898910 15.999 > 35 70 O 0.68437055865238 0.76780711655300 0.86704770898910 15.999 > 35 71 O 0.31562944134762 0.01780711655300 0.63295229101090 15.999 > 36 72 O 0.31562944134762 0.51780711655300 0.63295229101090 15.999 > 36 *73 O 0.31974998785065 0.29316330014013 0.30916628426556 15.999 > 37 74 O 0.31974998785065 0.79316330014013 0.30916628426556 15.999 > 37 75 O 0.68025001214935 0.04316330014013 0.19083371573443 15.999 > 38 76 O 0.68025001214935 0.54316330014013 0.19083371573443 15.999 > 38 77 O 0.68025001214935 0.20683669985987 0.69083371573443 15.999 > 39 78 O 0.68025001214935 0.70683669985987 0.69083371573443 15.999 > 39 79 O 0.31974998785065 0.45683669985987 0.80916628426557 15.999 > 40 80 O 0.31974998785065 0.95683669985987 0.80916628426557 15.999 > 40 *81 O 0.55287826721122 0.17431969173798 0.36975998597014 15.999 > 41 82 O 0.55287826721122 0.67431969173798 0.36975998597014 15.999 > 41 83 O 0.44712173278878 0.42431969173798 0.13024001402986 15.999 > 42 84 O 0.44712173278878 0.92431969173798 0.13024001402986 15.999 > 42 85 O 0.44712173278878 0.32568030826202 0.63024001402986 15.999 > 43 86 O 0.44712173278878 0.82568030826202 0.63024001402986 15.999 > 43 87 O 0.55287826721122 0.07568030826202 0.86975998597014 15.999 > 44 88 O 0.55287826721122 0.57568030826202 0.86975998597014 15.999 > 44 *89 O 0.76835123897476 0.26233465337749 0.35288379231403 15.999 > 45 90 O 0.76835123897476 0.76233465337749 0.35288379231403 15.999 > 45 91 O 0.23164876102524 0.01233465337749 0.14711620768597 15.999 > 46 92 O 0.23164876102524 0.51233465337749 0.14711620768597 15.999 > 46 93 O 0.23164876102524 0.23766534662251 0.64711620768597 15.999 > 47 94 O 0.23164876102524 0.73766534662251 0.64711620768597 15.999 > 47 95 O 0.76835123897476 0.48766534662251 0.85288379231403 15.999 > 48 96 O 0.76835123897476 0.98766534662251 0.85288379231403 15.999 > 48 *97 O 0.08900860832515 0.30285887522406 0.41539793030210 15.999 > 49 98 O 0.08900860832515 0.80285887522406 0.41539793030210 15.999 > 49 99 O 0.91099139167485 0.05285887522406 0.08460206969790 15.999 > 50 100 O 0.91099139167485 0.55285887522406 0.08460206969790 15.999 > 50 101 O 0.91099139167485 0.19714112477594 0.58460206969790 15.999 > 51 102 O 0.91099139167485 0.69714112477594 0.58460206969790 15.999 > 51 *103 O 0.67886281706856 0.43615541871744 0.99087907674301 15.999 > 52 104 O 0.67886281706856 0.93615541871744 0.99087907674301 15.999 > 52 *105 O 0.97366888324446 0.38717396033361 0.51400126646540 15.999 > 53 106 O 0.97366888324446 0.88717396033361 0.51400126646540 15.999 > 53 107 O 0.02633111675554 0.13717396033361 0.98599873353460 15.999 > 54 108 O 0.02633111675554 0.63717396033361 0.98599873353460 15.999 > 54 109 O 0.02633111675554 0.11282603966639 0.48599873353460 15.999 > 55 110 O 0.02633111675554 0.61282603966639 0.48599873353460 15.999 > 55 111 O 0.97366888324446 0.36282603966639 0.01400126646540 15.999 > 56 112 O 0.97366888324446 0.86282603966639 0.01400126646540 15.999 > 56 113 O 0.67886281706856 0.31384458128256 0.49087907674301 15.999 > 57 114 O 0.67886281706856 0.81384458128256 0.49087907674301 15.999 > 57 115 O 0.32113718293144 0.06384458128256 0.00912092325699 15.999 > 58 116 O 0.32113718293144 0.56384458128256 0.00912092325699 15.999 > 58 117 O 0.32113718293144 0.18615541871744 0.50912092325699 15.999 > 59 118 O 0.32113718293144 0.68615541871744 0.50912092325699 15.999 > 59 119 O 0.08900860832515 0.44714112477594 0.91539793030210 15.999 > 60 120 O 0.08900860832515 0.94714112477594 0.91539793030210 15.999 > 60 *121 Zn 0.51556527418797 0.29396787916194 0.12411005355590 65.380 > 61 122 Zn 0.51556527418797 0.79396787916194 0.12411005355590 65.380 > 61 123 Zn 0.48443472581203 0.04396787916194 0.37588994644410 65.380 > 62 124 Zn 0.48443472581203 0.54396787916194 0.37588994644410 65.380 > 62 125 Zn 0.48443472581203 0.20603212083806 0.87588994644410 65.380 > 63 126 Zn 0.48443472581203 0.70603212083806 0.87588994644410 65.380 > 63 127 Zn 0.51556527418797 0.45603212083806 0.62411005355590 65.380 > 64 128 Zn 0.51556527418797 0.95603212083806 0.62411005355590 65.380 > 64 *129 Nd 0.05431900479223 0.40815171394054 0.23577952935269 144.242 > 65 130 Nd 0.05431900479223 0.90815171394054 0.23577952935269 144.242 > 65 131 Nd 0.94568099520777 0.15815171394054 0.26422047064731 144.242 > 66 132 Nd 0.94568099520777 0.65815171394054 0.26422047064731 144.242 > 66 133 Nd 0.94568099520777 0.09184828605946 0.76422047064731 144.242 > 67 134 Nd 0.94568099520777 0.59184828605946 0.76422047064731 144.242 > 67 135 Nd 0.05431900479223 0.34184828605946 0.73577952935269 144.242 > 68 136 Nd 0.05431900479223 0.84184828605946 0.73577952935269 144.242 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3164482 0.0000000 0.0204940 0.0000000 3.4524261 0.0000000 0.0204935 0.0000000 3.4842245 -------------------------- Born effective charges -------------------------- 1 B 2.1783309 0.0810485 -0.0993618 -0.0144555 2.5457592 0.2454616 -0.0874797 0.1297011 2.6953927 2 B 2.1735231 0.6584095 0.7755972 0.6016188 2.4941757 -0.3844209 0.7450493 -0.3728024 1.7249610 3 B 2.1735231 -0.6584095 0.7755972 -0.6016188 2.4941757 0.3844209 0.7450493 0.3728024 1.7249610 4 B 2.1735231 0.6584095 0.7755972 0.6016188 2.4941757 -0.3844209 0.7450493 -0.3728024 1.7249610 5 B 2.1735231 -0.6584095 0.7755972 -0.6016188 2.4941757 0.3844209 0.7450493 0.3728024 1.7249610 6 B 1.7927355 -0.4784681 -0.1271565 -0.6744228 1.9090515 -0.1030661 -0.3026327 0.0368493 2.9929307 7 B 1.7927355 0.4784681 -0.1271565 0.6744228 1.9090515 0.1030661 -0.3026327 -0.0368493 2.9929307 8 B 1.7927355 -0.4784681 -0.1271565 -0.6744228 1.9090515 -0.1030661 -0.3026327 0.0368493 2.9929307 9 B 1.7927355 0.4784681 -0.1271565 0.6744228 1.9090515 0.1030661 -0.3026327 -0.0368493 2.9929307 10 B 2.1783309 -0.0810485 -0.0993618 0.0144555 2.5457592 -0.2454616 -0.0874797 -0.1297011 2.6953927 11 B 2.1783309 0.0810485 -0.0993618 -0.0144555 2.5457592 0.2454616 -0.0874797 0.1297011 2.6953927 12 B 2.1783309 -0.0810485 -0.0993618 0.0144555 2.5457592 -0.2454616 -0.0874797 -0.1297011 2.6953927 13 B 2.4772918 -0.2075345 -0.1568723 -0.1711939 2.4004040 0.0197583 0.0249602 0.0834367 2.2633796 14 B 2.4772918 0.2075345 -0.1568723 0.1711939 2.4004040 -0.0197583 0.0249602 -0.0834367 2.2633796 15 B 2.4772918 -0.2075345 -0.1568723 -0.1711939 2.4004040 0.0197583 0.0249602 0.0834367 2.2633796 16 B 2.4772918 0.2075345 -0.1568723 0.1711939 2.4004040 -0.0197583 0.0249602 -0.0834367 2.2633796 17 B 2.7296495 0.0161039 0.0971645 0.1197679 2.2793043 0.0119918 0.1196298 -0.1554439 2.5628876 18 B 2.7296495 -0.0161039 0.0971645 -0.1197679 2.2793043 -0.0119918 0.1196298 0.1554439 2.5628876 19 B 2.7296495 0.0161039 0.0971645 0.1197679 2.2793043 0.0119918 0.1196298 -0.1554439 2.5628876 20 B 2.7296495 -0.0161039 0.0971645 -0.1197679 2.2793043 -0.0119918 0.1196298 0.1554439 2.5628876 21 O -1.9637020 0.2834823 -0.0369259 0.2869488 -1.8220120 0.4139426 -0.1064839 0.3774414 -1.6819876 22 O -1.6225722 -0.2993515 -0.1057834 -0.3785211 -2.2920317 0.1709937 -0.1385256 0.2084696 -1.6430477 23 O -1.6225722 0.2993515 -0.1057834 0.3785211 -2.2920317 -0.1709937 -0.1385256 -0.2084696 -1.6430477 24 O -1.6225722 -0.2993515 -0.1057834 -0.3785211 -2.2920317 0.1709937 -0.1385256 0.2084696 -1.6430477 25 O -1.6225722 0.2993515 -0.1057834 0.3785211 -2.2920317 -0.1709937 -0.1385256 -0.2084696 -1.6430477 26 O -1.3396211 -0.3867034 0.3758380 -0.5263367 -2.1604161 0.4183815 0.5439008 0.4033657 -2.4719961 27 O -1.3396211 0.3867034 0.3758380 0.5263367 -2.1604161 -0.4183815 0.5439008 -0.4033657 -2.4719961 28 O -1.3396211 -0.3867034 0.3758380 -0.5263367 -2.1604161 0.4183815 0.5439008 0.4033657 -2.4719961 29 O -1.9637020 -0.2834823 -0.0369259 -0.2869488 -1.8220120 -0.4139426 -0.1064839 -0.3774414 -1.6819876 30 O -1.3396211 0.3867034 0.3758380 0.5263367 -2.1604161 -0.4183815 0.5439008 -0.4033657 -2.4719961 31 O -1.9637020 -0.2834823 -0.0369259 -0.2869488 -1.8220120 -0.4139426 -0.1064839 -0.3774414 -1.6819876 32 O -1.9637020 0.2834823 -0.0369259 0.2869488 -1.8220120 0.4139426 -0.1064839 0.3774414 -1.6819876 33 O -1.4810151 -0.3363011 0.2276685 -0.3196021 -1.1913686 -0.3115429 0.1854050 -0.1532439 -2.5576466 34 O -1.4810151 0.3363011 0.2276685 0.3196021 -1.1913686 0.3115429 0.1854050 0.1532439 -2.5576466 35 O -1.4810151 -0.3363011 0.2276685 -0.3196021 -1.1913686 -0.3115429 0.1854050 -0.1532439 -2.5576466 36 O -1.4810151 0.3363011 0.2276685 0.3196021 -1.1913686 0.3115429 0.1854050 0.1532439 -2.5576466 37 O -1.4042529 0.3952642 -0.3428699 0.3445247 -2.1931733 -0.6304309 -0.3256714 -0.6627932 -1.5552926 38 O -1.4042529 -0.3952642 -0.3428699 -0.3445247 -2.1931733 0.6304309 -0.3256714 0.6627932 -1.5552926 39 O -1.4042529 0.3952642 -0.3428699 0.3445247 -2.1931733 -0.6304309 -0.3256714 -0.6627932 -1.5552926 40 O -1.4042529 -0.3952642 -0.3428699 -0.3445247 -2.1931733 0.6304309 -0.3256714 0.6627932 -1.5552926 41 O -1.7565473 -0.3082916 -0.5692092 -0.3133613 -1.7924601 -0.1595982 -0.5893228 -0.0317160 -1.7632123 42 O -1.7565473 0.3082916 -0.5692092 0.3133613 -1.7924601 0.1595982 -0.5893228 0.0317160 -1.7632123 43 O -1.7565473 -0.3082916 -0.5692092 -0.3133613 -1.7924601 -0.1595982 -0.5893228 -0.0317160 -1.7632123 44 O -1.7565473 0.3082916 -0.5692092 0.3133613 -1.7924601 0.1595982 -0.5893228 0.0317160 -1.7632123 45 O -2.0892073 -0.4267195 0.3364003 -0.4049320 -1.6665843 0.0186000 0.2491048 0.0781240 -1.7597676 46 O -2.0892073 0.4267195 0.3364003 0.4049320 -1.6665843 -0.0186000 0.2491048 -0.0781240 -1.7597676 47 O -2.0892073 -0.4267195 0.3364003 -0.4049320 -1.6665843 0.0186000 0.2491048 0.0781240 -1.7597676 48 O -2.0892073 0.4267195 0.3364003 0.4049320 -1.6665843 -0.0186000 0.2491048 -0.0781240 -1.7597676 49 O -1.9445025 0.3319949 -0.2806667 0.2400855 -1.7066452 0.4064668 -0.2505719 0.3923384 -2.0026739 50 O -1.9445025 -0.3319949 -0.2806667 -0.2400855 -1.7066452 -0.4064668 -0.2505719 -0.3923384 -2.0026739 51 O -1.9445025 0.3319949 -0.2806667 0.2400855 -1.7066452 0.4064668 -0.2505719 0.3923384 -2.0026739 52 O -2.0713915 -0.6199885 -0.5546034 -0.5596106 -1.7650794 0.0461024 -0.5317633 0.0344259 -1.4784453 53 O -1.6117910 0.5992135 0.4421415 0.5815852 -1.7364754 -0.1466985 0.4391726 -0.2715379 -1.9039823 54 O -1.6117910 -0.5992135 0.4421415 -0.5815852 -1.7364754 0.1466985 0.4391726 0.2715379 -1.9039823 55 O -1.6117910 0.5992135 0.4421415 0.5815852 -1.7364754 -0.1466985 0.4391726 -0.2715379 -1.9039823 56 O -1.6117910 -0.5992135 0.4421415 -0.5815852 -1.7364754 0.1466985 0.4391726 0.2715379 -1.9039823 57 O -2.0713915 0.6199885 -0.5546034 0.5596106 -1.7650794 -0.0461024 -0.5317633 -0.0344259 -1.4784453 58 O -2.0713915 -0.6199885 -0.5546034 -0.5596106 -1.7650794 0.0461024 -0.5317633 0.0344259 -1.4784453 59 O -2.0713915 0.6199885 -0.5546034 0.5596106 -1.7650794 -0.0461024 -0.5317633 -0.0344259 -1.4784453 60 O -1.9445025 -0.3319949 -0.2806667 -0.2400855 -1.7066452 -0.4064668 -0.2505719 -0.3923384 -2.0026739 61 Zn 2.0790041 0.0827523 -0.0516696 0.1100933 2.6028943 0.0575136 0.0073317 0.0522697 2.4156970 62 Zn 2.0790041 -0.0827523 -0.0516696 -0.1100933 2.6028943 -0.0575136 0.0073317 -0.0522697 2.4156970 63 Zn 2.0790041 0.0827523 -0.0516696 0.1100933 2.6028943 0.0575136 0.0073317 0.0522697 2.4156970 64 Zn 2.0790041 -0.0827523 -0.0516696 -0.1100933 2.6028943 -0.0575136 0.0073317 -0.0522697 2.4156970 65 Nd 3.8540681 -0.1234622 0.0703086 -0.1112871 4.0946570 0.3613945 0.0178970 0.3256164 4.1628033 66 Nd 3.8540681 0.1234622 0.0703086 0.1112871 4.0946570 -0.3613945 0.0178970 -0.3256164 4.1628033 67 Nd 3.8540681 -0.1234622 0.0703086 -0.1112871 4.0946570 0.3613945 0.0178970 0.3256164 4.1628033 68 Nd 3.8540681 0.1234622 0.0703086 0.1112871 4.0946570 -0.3613945 0.0178970 -0.3256164 4.1628033 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10557 Number of blocks in projector: 10557 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. Tree of FC basis block matrices: - (10557, 10405), data: False |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 2080 - Time: 6.880 Solver_block: 200 / 2080 - Time: 7.560 Solver_block: 300 / 2080 - Time: 4.651 Solver_block: 400 / 2080 - Time: 6.872 Solver_block: 500 / 2080 - Time: 7.474 Solver_block: 600 / 2080 - Time: 7.221 Solver_block: 700 / 2080 - Time: 6.083 Solver_block: 800 / 2080 - Time: 6.734 Solver_block: 900 / 2080 - Time: 7.529 Solver_block: 1000 / 2080 - Time: 7.288 Solver_block: 1100 / 2080 - Time: 6.488 Solver_block: 1200 / 2080 - Time: 6.190 Solver_block: 1300 / 2080 - Time: 6.461 Solver_block: 1400 / 2080 - Time: 6.200 Solver_block: 1500 / 2080 - Time: 6.675 Solver_block: 1600 / 2080 - Time: 6.473 Solver_block: 1700 / 2080 - Time: 6.091 Solver_block: 1800 / 2080 - Time: 4.127 Solver_block: 1900 / 2080 - Time: 4.847 Solver_block: 2000 / 2080 - Time: 4.326 Solver_block: 2080 / 2080 - Time: 3.476 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 133.687 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10557 Number of blocks in projector: 10557 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 108 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1207 Use submatrix version of eigh solver. (1) Block: 500 / 1207 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1207 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1207 / 1207 (1) 190 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. Tree of FC basis block matrices: - (10557, 10405), data: False |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1207, 1190), data: False |-- (1207, 31), data: (1207, 48) @ (48, 31) |-- (207, 190), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 108), data: (2312, 142) @ (142, 108) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:39:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:39:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.669024041861048 0.000000000000000 0.000000000000000 b 0.000000000000000 7.611823810000002 0.000000000000000 c -8.153870274463724 0.000000000000000 9.434786387574569 Atomic positions (fractional): 1 B 0.34754328857352 0.42089161478262 0.26302933884445 10.811 2 B 0.48379025767015 0.81247444943249 0.91479301234637 10.811 3 B 0.51620974232985 0.31247444943249 0.58520698765363 10.811 4 B 0.51620974232985 0.18752555056751 0.08520698765363 10.811 5 B 0.48379025767015 0.68752555056751 0.41479301234637 10.811 6 B 0.15394651517256 0.09814549220535 0.50058066500809 10.811 7 B 0.84605348482744 0.59814549220535 0.99941933499191 10.811 8 B 0.84605348482744 0.90185450779465 0.49941933499191 10.811 9 B 0.15394651517256 0.40185450779465 0.00058066500809 10.811 10 B 0.65245671142648 0.92089161478262 0.23697066115555 10.811 11 B 0.65245671142648 0.57910838521738 0.73697066115555 10.811 12 B 0.34754328857352 0.07910838521738 0.76302933884445 10.811 13 B 0.90874518506392 0.67318485521439 0.39128038666328 10.811 14 B 0.09125481493608 0.17318485521439 0.10871961333673 10.811 15 B 0.09125481493608 0.32681514478561 0.60871961333672 10.811 16 B 0.90874518506392 0.82681514478561 0.89128038666328 10.811 17 B 0.72716839383941 0.46764568961876 0.44683614844592 10.811 18 B 0.27283160616059 0.96764568961875 0.05316385155408 10.811 19 B 0.27283160616059 0.53235431038125 0.55316385155408 10.811 20 B 0.72716839383941 0.03235431038124 0.94683614844592 10.811 21 O 0.79680628581962 0.78670753836805 0.26427946349433 15.999 22 O 0.56976355507591 0.34951948828424 0.06888519370002 15.999 23 O 0.43023644492409 0.84951948828424 0.43111480629998 15.999 24 O 0.43023644492409 0.65048051171576 0.93111480629998 15.999 25 O 0.56976355507591 0.15048051171576 0.56888519370002 15.999 26 O 0.88354923874161 0.54568037374566 0.11749143959421 15.999 27 O 0.11645076125839 0.04568037374566 0.38250856040579 15.999 28 O 0.11645076125839 0.45431962625434 0.88250856040579 15.999 29 O 0.20319371418038 0.28670753836805 0.23572053650567 15.999 30 O 0.88354923874161 0.95431962625434 0.61749143959421 15.999 31 O 0.79680628581962 0.71329246163195 0.76427946349433 15.999 32 O 0.20319371418038 0.21329246163195 0.73572053650567 15.999 33 O 0.31562944134762 0.46438576689401 0.13295229101090 15.999 34 O 0.68437055865238 0.96438576689401 0.36704770898910 15.999 35 O 0.68437055865238 0.53561423310599 0.86704770898910 15.999 36 O 0.31562944134762 0.03561423310599 0.63295229101090 15.999 37 O 0.31974998785065 0.58632660028027 0.30916628426556 15.999 38 O 0.68025001214935 0.08632660028027 0.19083371573443 15.999 39 O 0.68025001214935 0.41367339971973 0.69083371573443 15.999 40 O 0.31974998785065 0.91367339971973 0.80916628426557 15.999 41 O 0.55287826721122 0.34863938347596 0.36975998597014 15.999 42 O 0.44712173278878 0.84863938347596 0.13024001402986 15.999 43 O 0.44712173278878 0.65136061652404 0.63024001402986 15.999 44 O 0.55287826721122 0.15136061652404 0.86975998597014 15.999 45 O 0.76835123897476 0.52466930675499 0.35288379231403 15.999 46 O 0.23164876102524 0.02466930675499 0.14711620768597 15.999 47 O 0.23164876102524 0.47533069324501 0.64711620768597 15.999 48 O 0.76835123897476 0.97533069324501 0.85288379231403 15.999 49 O 0.08900860832515 0.60571775044812 0.41539793030210 15.999 50 O 0.91099139167485 0.10571775044812 0.08460206969790 15.999 51 O 0.91099139167485 0.39428224955188 0.58460206969790 15.999 52 O 0.67886281706856 0.87231083743488 0.99087907674301 15.999 53 O 0.97366888324446 0.77434792066722 0.51400126646540 15.999 54 O 0.02633111675554 0.27434792066722 0.98599873353460 15.999 55 O 0.02633111675554 0.22565207933278 0.48599873353460 15.999 56 O 0.97366888324446 0.72565207933278 0.01400126646540 15.999 57 O 0.67886281706856 0.62768916256512 0.49087907674301 15.999 58 O 0.32113718293144 0.12768916256512 0.00912092325699 15.999 59 O 0.32113718293144 0.37231083743488 0.50912092325699 15.999 60 O 0.08900860832515 0.89428224955188 0.91539793030210 15.999 61 Zn 0.51556527418797 0.58793575832387 0.12411005355590 65.380 62 Zn 0.48443472581203 0.08793575832387 0.37588994644410 65.380 63 Zn 0.48443472581203 0.41206424167613 0.87588994644410 65.380 64 Zn 0.51556527418797 0.91206424167613 0.62411005355590 65.380 65 Nd 0.05431900479223 0.81630342788108 0.23577952935269 144.242 66 Nd 0.94568099520777 0.31630342788108 0.26422047064731 144.242 67 Nd 0.94568099520777 0.18369657211892 0.76422047064731 144.242 68 Nd 0.05431900479223 0.68369657211892 0.73577952935269 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.669024041861048 0.000000000000000 0.000000000000000 b 0.000000000000000 15.223647620000005 0.000000000000000 c -8.153870274463724 0.000000000000000 9.434786387574569 Atomic positions (fractional): 1 B 0.34754328857352 0.21044580739131 0.26302933884445 10.811 > 1 2 B 0.34754328857352 0.71044580739131 0.26302933884445 10.811 > 1 3 B 0.48379025767015 0.40623722471625 0.91479301234637 10.811 > 3 4 B 0.48379025767015 0.90623722471625 0.91479301234637 10.811 > 3 5 B 0.51620974232985 0.15623722471625 0.58520698765363 10.811 > 5 6 B 0.51620974232985 0.65623722471625 0.58520698765363 10.811 > 5 7 B 0.51620974232985 0.09376277528375 0.08520698765363 10.811 > 7 8 B 0.51620974232985 0.59376277528375 0.08520698765363 10.811 > 7 9 B 0.48379025767015 0.34376277528375 0.41479301234637 10.811 > 9 10 B 0.48379025767015 0.84376277528375 0.41479301234637 10.811 > 9 11 B 0.15394651517256 0.04907274610268 0.50058066500809 10.811 > 11 12 B 0.15394651517256 0.54907274610267 0.50058066500809 10.811 > 11 13 B 0.84605348482744 0.29907274610267 0.99941933499191 10.811 > 13 14 B 0.84605348482744 0.79907274610267 0.99941933499191 10.811 > 13 15 B 0.84605348482744 0.45092725389733 0.49941933499191 10.811 > 15 16 B 0.84605348482744 0.95092725389733 0.49941933499191 10.811 > 15 17 B 0.15394651517256 0.20092725389732 0.00058066500809 10.811 > 17 18 B 0.15394651517256 0.70092725389733 0.00058066500809 10.811 > 17 19 B 0.65245671142648 0.46044580739131 0.23697066115555 10.811 > 19 20 B 0.65245671142648 0.96044580739131 0.23697066115555 10.811 > 19 21 B 0.65245671142648 0.28955419260869 0.73697066115555 10.811 > 21 22 B 0.65245671142648 0.78955419260869 0.73697066115555 10.811 > 21 23 B 0.34754328857352 0.03955419260869 0.76302933884445 10.811 > 23 24 B 0.34754328857352 0.53955419260869 0.76302933884445 10.811 > 23 25 B 0.90874518506392 0.33659242760719 0.39128038666328 10.811 > 25 26 B 0.90874518506392 0.83659242760719 0.39128038666328 10.811 > 25 27 B 0.09125481493608 0.08659242760720 0.10871961333673 10.811 > 27 28 B 0.09125481493608 0.58659242760719 0.10871961333673 10.811 > 27 29 B 0.09125481493608 0.16340757239281 0.60871961333672 10.811 > 29 30 B 0.09125481493608 0.66340757239281 0.60871961333672 10.811 > 29 31 B 0.90874518506392 0.41340757239281 0.89128038666328 10.811 > 31 32 B 0.90874518506392 0.91340757239281 0.89128038666328 10.811 > 31 33 B 0.72716839383941 0.23382284480938 0.44683614844592 10.811 > 33 34 B 0.72716839383941 0.73382284480938 0.44683614844592 10.811 > 33 35 B 0.27283160616059 0.48382284480938 0.05316385155408 10.811 > 35 36 B 0.27283160616059 0.98382284480938 0.05316385155408 10.811 > 35 37 B 0.27283160616059 0.26617715519062 0.55316385155408 10.811 > 37 38 B 0.27283160616059 0.76617715519062 0.55316385155408 10.811 > 37 39 B 0.72716839383941 0.01617715519062 0.94683614844592 10.811 > 39 40 B 0.72716839383941 0.51617715519062 0.94683614844592 10.811 > 39 41 O 0.79680628581962 0.39335376918402 0.26427946349433 15.999 > 41 42 O 0.79680628581962 0.89335376918402 0.26427946349433 15.999 > 41 43 O 0.56976355507591 0.17475974414212 0.06888519370002 15.999 > 43 44 O 0.56976355507591 0.67475974414212 0.06888519370002 15.999 > 43 45 O 0.43023644492409 0.42475974414212 0.43111480629998 15.999 > 45 46 O 0.43023644492409 0.92475974414212 0.43111480629998 15.999 > 45 47 O 0.43023644492409 0.32524025585788 0.93111480629998 15.999 > 47 48 O 0.43023644492409 0.82524025585788 0.93111480629998 15.999 > 47 49 O 0.56976355507591 0.07524025585788 0.56888519370002 15.999 > 49 50 O 0.56976355507591 0.57524025585788 0.56888519370002 15.999 > 49 51 O 0.88354923874161 0.27284018687283 0.11749143959421 15.999 > 51 52 O 0.88354923874161 0.77284018687283 0.11749143959421 15.999 > 51 53 O 0.11645076125839 0.02284018687283 0.38250856040579 15.999 > 53 54 O 0.11645076125839 0.52284018687283 0.38250856040579 15.999 > 53 55 O 0.11645076125839 0.22715981312717 0.88250856040579 15.999 > 55 56 O 0.11645076125839 0.72715981312717 0.88250856040579 15.999 > 55 57 O 0.20319371418038 0.14335376918402 0.23572053650567 15.999 > 57 58 O 0.20319371418038 0.64335376918402 0.23572053650567 15.999 > 57 59 O 0.88354923874161 0.47715981312717 0.61749143959421 15.999 > 59 60 O 0.88354923874161 0.97715981312717 0.61749143959421 15.999 > 59 61 O 0.79680628581962 0.35664623081598 0.76427946349433 15.999 > 61 62 O 0.79680628581962 0.85664623081598 0.76427946349433 15.999 > 61 63 O 0.20319371418038 0.10664623081598 0.73572053650567 15.999 > 63 64 O 0.20319371418038 0.60664623081598 0.73572053650567 15.999 > 63 65 O 0.31562944134762 0.23219288344700 0.13295229101090 15.999 > 65 66 O 0.31562944134762 0.73219288344700 0.13295229101090 15.999 > 65 67 O 0.68437055865238 0.48219288344700 0.36704770898910 15.999 > 67 68 O 0.68437055865238 0.98219288344700 0.36704770898910 15.999 > 67 69 O 0.68437055865238 0.26780711655300 0.86704770898910 15.999 > 69 70 O 0.68437055865238 0.76780711655300 0.86704770898910 15.999 > 69 71 O 0.31562944134762 0.01780711655300 0.63295229101090 15.999 > 71 72 O 0.31562944134762 0.51780711655300 0.63295229101090 15.999 > 71 73 O 0.31974998785065 0.29316330014013 0.30916628426556 15.999 > 73 74 O 0.31974998785065 0.79316330014013 0.30916628426556 15.999 > 73 75 O 0.68025001214935 0.04316330014013 0.19083371573443 15.999 > 75 76 O 0.68025001214935 0.54316330014013 0.19083371573443 15.999 > 75 77 O 0.68025001214935 0.20683669985987 0.69083371573443 15.999 > 77 78 O 0.68025001214935 0.70683669985987 0.69083371573443 15.999 > 77 79 O 0.31974998785065 0.45683669985987 0.80916628426557 15.999 > 79 80 O 0.31974998785065 0.95683669985987 0.80916628426557 15.999 > 79 81 O 0.55287826721122 0.17431969173798 0.36975998597014 15.999 > 81 82 O 0.55287826721122 0.67431969173798 0.36975998597014 15.999 > 81 83 O 0.44712173278878 0.42431969173798 0.13024001402986 15.999 > 83 84 O 0.44712173278878 0.92431969173798 0.13024001402986 15.999 > 83 85 O 0.44712173278878 0.32568030826202 0.63024001402986 15.999 > 85 86 O 0.44712173278878 0.82568030826202 0.63024001402986 15.999 > 85 87 O 0.55287826721122 0.07568030826202 0.86975998597014 15.999 > 87 88 O 0.55287826721122 0.57568030826202 0.86975998597014 15.999 > 87 89 O 0.76835123897476 0.26233465337749 0.35288379231403 15.999 > 89 90 O 0.76835123897476 0.76233465337749 0.35288379231403 15.999 > 89 91 O 0.23164876102524 0.01233465337749 0.14711620768597 15.999 > 91 92 O 0.23164876102524 0.51233465337749 0.14711620768597 15.999 > 91 93 O 0.23164876102524 0.23766534662251 0.64711620768597 15.999 > 93 94 O 0.23164876102524 0.73766534662251 0.64711620768597 15.999 > 93 95 O 0.76835123897476 0.48766534662251 0.85288379231403 15.999 > 95 96 O 0.76835123897476 0.98766534662251 0.85288379231403 15.999 > 95 97 O 0.08900860832515 0.30285887522406 0.41539793030210 15.999 > 97 98 O 0.08900860832515 0.80285887522406 0.41539793030210 15.999 > 97 99 O 0.91099139167485 0.05285887522406 0.08460206969790 15.999 > 99 100 O 0.91099139167485 0.55285887522406 0.08460206969790 15.999 > 99 101 O 0.91099139167485 0.19714112477594 0.58460206969790 15.999 > 101 102 O 0.91099139167485 0.69714112477594 0.58460206969790 15.999 > 101 103 O 0.67886281706856 0.43615541871744 0.99087907674301 15.999 > 103 104 O 0.67886281706856 0.93615541871744 0.99087907674301 15.999 > 103 105 O 0.97366888324446 0.38717396033361 0.51400126646540 15.999 > 105 106 O 0.97366888324446 0.88717396033361 0.51400126646540 15.999 > 105 107 O 0.02633111675554 0.13717396033361 0.98599873353460 15.999 > 107 108 O 0.02633111675554 0.63717396033361 0.98599873353460 15.999 > 107 109 O 0.02633111675554 0.11282603966639 0.48599873353460 15.999 > 109 110 O 0.02633111675554 0.61282603966639 0.48599873353460 15.999 > 109 111 O 0.97366888324446 0.36282603966639 0.01400126646540 15.999 > 111 112 O 0.97366888324446 0.86282603966639 0.01400126646540 15.999 > 111 113 O 0.67886281706856 0.31384458128256 0.49087907674301 15.999 > 113 114 O 0.67886281706856 0.81384458128256 0.49087907674301 15.999 > 113 115 O 0.32113718293144 0.06384458128256 0.00912092325699 15.999 > 115 116 O 0.32113718293144 0.56384458128256 0.00912092325699 15.999 > 115 117 O 0.32113718293144 0.18615541871744 0.50912092325699 15.999 > 117 118 O 0.32113718293144 0.68615541871744 0.50912092325699 15.999 > 117 119 O 0.08900860832515 0.44714112477594 0.91539793030210 15.999 > 119 120 O 0.08900860832515 0.94714112477594 0.91539793030210 15.999 > 119 121 Zn 0.51556527418797 0.29396787916194 0.12411005355590 65.380 > 121 122 Zn 0.51556527418797 0.79396787916194 0.12411005355590 65.380 > 121 123 Zn 0.48443472581203 0.04396787916194 0.37588994644410 65.380 > 123 124 Zn 0.48443472581203 0.54396787916194 0.37588994644410 65.380 > 123 125 Zn 0.48443472581203 0.20603212083806 0.87588994644410 65.380 > 125 126 Zn 0.48443472581203 0.70603212083806 0.87588994644410 65.380 > 125 127 Zn 0.51556527418797 0.45603212083806 0.62411005355590 65.380 > 127 128 Zn 0.51556527418797 0.95603212083806 0.62411005355590 65.380 > 127 129 Nd 0.05431900479223 0.40815171394054 0.23577952935269 144.242 > 129 130 Nd 0.05431900479223 0.90815171394054 0.23577952935269 144.242 > 129 131 Nd 0.94568099520777 0.15815171394054 0.26422047064731 144.242 > 131 132 Nd 0.94568099520777 0.65815171394054 0.26422047064731 144.242 > 131 133 Nd 0.94568099520777 0.09184828605946 0.76422047064731 144.242 > 133 134 Nd 0.94568099520777 0.59184828605946 0.76422047064731 144.242 > 133 135 Nd 0.05431900479223 0.34184828605946 0.73577952935269 144.242 > 135 136 Nd 0.05431900479223 0.84184828605946 0.73577952935269 144.242 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3164482 0.0000000 0.0204940 0.0000000 3.4524261 0.0000000 0.0204935 0.0000000 3.4842245 -------------------------- Born effective charges -------------------------- 1 B 2.1783309 0.0810485 -0.0993618 -0.0144555 2.5457592 0.2454616 -0.0874797 0.1297011 2.6953927 2 B 2.1735231 0.6584095 0.7755972 0.6016188 2.4941757 -0.3844209 0.7450493 -0.3728024 1.7249610 3 B 2.1735231 -0.6584095 0.7755972 -0.6016188 2.4941757 0.3844209 0.7450493 0.3728024 1.7249610 4 B 2.1735231 0.6584095 0.7755972 0.6016188 2.4941757 -0.3844209 0.7450493 -0.3728024 1.7249610 5 B 2.1735231 -0.6584095 0.7755972 -0.6016188 2.4941757 0.3844209 0.7450493 0.3728024 1.7249610 6 B 1.7927355 -0.4784681 -0.1271565 -0.6744228 1.9090515 -0.1030661 -0.3026327 0.0368493 2.9929307 7 B 1.7927355 0.4784681 -0.1271565 0.6744228 1.9090515 0.1030661 -0.3026327 -0.0368493 2.9929307 8 B 1.7927355 -0.4784681 -0.1271565 -0.6744228 1.9090515 -0.1030661 -0.3026327 0.0368493 2.9929307 9 B 1.7927355 0.4784681 -0.1271565 0.6744228 1.9090515 0.1030661 -0.3026327 -0.0368493 2.9929307 10 B 2.1783309 -0.0810485 -0.0993618 0.0144555 2.5457592 -0.2454616 -0.0874797 -0.1297011 2.6953927 11 B 2.1783309 0.0810485 -0.0993618 -0.0144555 2.5457592 0.2454616 -0.0874797 0.1297011 2.6953927 12 B 2.1783309 -0.0810485 -0.0993618 0.0144555 2.5457592 -0.2454616 -0.0874797 -0.1297011 2.6953927 13 B 2.4772918 -0.2075345 -0.1568723 -0.1711939 2.4004040 0.0197583 0.0249602 0.0834367 2.2633796 14 B 2.4772918 0.2075345 -0.1568723 0.1711939 2.4004040 -0.0197583 0.0249602 -0.0834367 2.2633796 15 B 2.4772918 -0.2075345 -0.1568723 -0.1711939 2.4004040 0.0197583 0.0249602 0.0834367 2.2633796 16 B 2.4772918 0.2075345 -0.1568723 0.1711939 2.4004040 -0.0197583 0.0249602 -0.0834367 2.2633796 17 B 2.7296495 0.0161039 0.0971645 0.1197679 2.2793043 0.0119918 0.1196298 -0.1554439 2.5628876 18 B 2.7296495 -0.0161039 0.0971645 -0.1197679 2.2793043 -0.0119918 0.1196298 0.1554439 2.5628876 19 B 2.7296495 0.0161039 0.0971645 0.1197679 2.2793043 0.0119918 0.1196298 -0.1554439 2.5628876 20 B 2.7296495 -0.0161039 0.0971645 -0.1197679 2.2793043 -0.0119918 0.1196298 0.1554439 2.5628876 21 O -1.9637020 0.2834823 -0.0369259 0.2869488 -1.8220120 0.4139426 -0.1064839 0.3774414 -1.6819876 22 O -1.6225722 -0.2993515 -0.1057834 -0.3785211 -2.2920317 0.1709937 -0.1385256 0.2084696 -1.6430477 23 O -1.6225722 0.2993515 -0.1057834 0.3785211 -2.2920317 -0.1709937 -0.1385256 -0.2084696 -1.6430477 24 O -1.6225722 -0.2993515 -0.1057834 -0.3785211 -2.2920317 0.1709937 -0.1385256 0.2084696 -1.6430477 25 O -1.6225722 0.2993515 -0.1057834 0.3785211 -2.2920317 -0.1709937 -0.1385256 -0.2084696 -1.6430477 26 O -1.3396211 -0.3867034 0.3758380 -0.5263367 -2.1604161 0.4183815 0.5439008 0.4033657 -2.4719961 27 O -1.3396211 0.3867034 0.3758380 0.5263367 -2.1604161 -0.4183815 0.5439008 -0.4033657 -2.4719961 28 O -1.3396211 -0.3867034 0.3758380 -0.5263367 -2.1604161 0.4183815 0.5439008 0.4033657 -2.4719961 29 O -1.9637020 -0.2834823 -0.0369259 -0.2869488 -1.8220120 -0.4139426 -0.1064839 -0.3774414 -1.6819876 30 O -1.3396211 0.3867034 0.3758380 0.5263367 -2.1604161 -0.4183815 0.5439008 -0.4033657 -2.4719961 31 O -1.9637020 -0.2834823 -0.0369259 -0.2869488 -1.8220120 -0.4139426 -0.1064839 -0.3774414 -1.6819876 32 O -1.9637020 0.2834823 -0.0369259 0.2869488 -1.8220120 0.4139426 -0.1064839 0.3774414 -1.6819876 33 O -1.4810151 -0.3363011 0.2276685 -0.3196021 -1.1913686 -0.3115429 0.1854050 -0.1532439 -2.5576466 34 O -1.4810151 0.3363011 0.2276685 0.3196021 -1.1913686 0.3115429 0.1854050 0.1532439 -2.5576466 35 O -1.4810151 -0.3363011 0.2276685 -0.3196021 -1.1913686 -0.3115429 0.1854050 -0.1532439 -2.5576466 36 O -1.4810151 0.3363011 0.2276685 0.3196021 -1.1913686 0.3115429 0.1854050 0.1532439 -2.5576466 37 O -1.4042529 0.3952642 -0.3428699 0.3445247 -2.1931733 -0.6304309 -0.3256714 -0.6627932 -1.5552926 38 O -1.4042529 -0.3952642 -0.3428699 -0.3445247 -2.1931733 0.6304309 -0.3256714 0.6627932 -1.5552926 39 O -1.4042529 0.3952642 -0.3428699 0.3445247 -2.1931733 -0.6304309 -0.3256714 -0.6627932 -1.5552926 40 O -1.4042529 -0.3952642 -0.3428699 -0.3445247 -2.1931733 0.6304309 -0.3256714 0.6627932 -1.5552926 41 O -1.7565473 -0.3082916 -0.5692092 -0.3133613 -1.7924601 -0.1595982 -0.5893228 -0.0317160 -1.7632123 42 O -1.7565473 0.3082916 -0.5692092 0.3133613 -1.7924601 0.1595982 -0.5893228 0.0317160 -1.7632123 43 O -1.7565473 -0.3082916 -0.5692092 -0.3133613 -1.7924601 -0.1595982 -0.5893228 -0.0317160 -1.7632123 44 O -1.7565473 0.3082916 -0.5692092 0.3133613 -1.7924601 0.1595982 -0.5893228 0.0317160 -1.7632123 45 O -2.0892073 -0.4267195 0.3364003 -0.4049320 -1.6665843 0.0186000 0.2491048 0.0781240 -1.7597676 46 O -2.0892073 0.4267195 0.3364003 0.4049320 -1.6665843 -0.0186000 0.2491048 -0.0781240 -1.7597676 47 O -2.0892073 -0.4267195 0.3364003 -0.4049320 -1.6665843 0.0186000 0.2491048 0.0781240 -1.7597676 48 O -2.0892073 0.4267195 0.3364003 0.4049320 -1.6665843 -0.0186000 0.2491048 -0.0781240 -1.7597676 49 O -1.9445025 0.3319949 -0.2806667 0.2400855 -1.7066452 0.4064668 -0.2505719 0.3923384 -2.0026739 50 O -1.9445025 -0.3319949 -0.2806667 -0.2400855 -1.7066452 -0.4064668 -0.2505719 -0.3923384 -2.0026739 51 O -1.9445025 0.3319949 -0.2806667 0.2400855 -1.7066452 0.4064668 -0.2505719 0.3923384 -2.0026739 52 O -2.0713915 -0.6199885 -0.5546034 -0.5596106 -1.7650794 0.0461024 -0.5317633 0.0344259 -1.4784453 53 O -1.6117910 0.5992135 0.4421415 0.5815852 -1.7364754 -0.1466985 0.4391726 -0.2715379 -1.9039823 54 O -1.6117910 -0.5992135 0.4421415 -0.5815852 -1.7364754 0.1466985 0.4391726 0.2715379 -1.9039823 55 O -1.6117910 0.5992135 0.4421415 0.5815852 -1.7364754 -0.1466985 0.4391726 -0.2715379 -1.9039823 56 O -1.6117910 -0.5992135 0.4421415 -0.5815852 -1.7364754 0.1466985 0.4391726 0.2715379 -1.9039823 57 O -2.0713915 0.6199885 -0.5546034 0.5596106 -1.7650794 -0.0461024 -0.5317633 -0.0344259 -1.4784453 58 O -2.0713915 -0.6199885 -0.5546034 -0.5596106 -1.7650794 0.0461024 -0.5317633 0.0344259 -1.4784453 59 O -2.0713915 0.6199885 -0.5546034 0.5596106 -1.7650794 -0.0461024 -0.5317633 -0.0344259 -1.4784453 60 O -1.9445025 -0.3319949 -0.2806667 -0.2400855 -1.7066452 -0.4064668 -0.2505719 -0.3923384 -2.0026739 61 Zn 2.0790041 0.0827523 -0.0516696 0.1100933 2.6028943 0.0575136 0.0073317 0.0522697 2.4156970 62 Zn 2.0790041 -0.0827523 -0.0516696 -0.1100933 2.6028943 -0.0575136 0.0073317 -0.0522697 2.4156970 63 Zn 2.0790041 0.0827523 -0.0516696 0.1100933 2.6028943 0.0575136 0.0073317 0.0522697 2.4156970 64 Zn 2.0790041 -0.0827523 -0.0516696 -0.1100933 2.6028943 -0.0575136 0.0073317 -0.0522697 2.4156970 65 Nd 3.8540681 -0.1234622 0.0703086 -0.1112871 4.0946570 0.3613945 0.0178970 0.3256164 4.1628033 66 Nd 3.8540681 0.1234622 0.0703086 0.1112871 4.0946570 -0.3613945 0.0178970 -0.3256164 4.1628033 67 Nd 3.8540681 -0.1234622 0.0703086 -0.1112871 4.0946570 0.3613945 0.0178970 0.3256164 4.1628033 68 Nd 3.8540681 0.1234622 0.0703086 0.1112871 4.0946570 -0.3613945 0.0178970 -0.3256164 4.1628033 ---------------------------------------------------------------------------- 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 3, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 11, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 43, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 51, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 103, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 01:40:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:40:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.669024041861048 0.000000000000000 0.000000000000000 b 0.000000000000000 7.611823810000002 0.000000000000000 c -8.153870274463724 0.000000000000000 9.434786387574569 Atomic positions (fractional): 1 B 0.34754328857352 0.42089161478262 0.26302933884445 10.811 2 B 0.48379025767015 0.81247444943249 0.91479301234637 10.811 3 B 0.51620974232985 0.31247444943249 0.58520698765363 10.811 4 B 0.51620974232985 0.18752555056751 0.08520698765363 10.811 5 B 0.48379025767015 0.68752555056751 0.41479301234637 10.811 6 B 0.15394651517256 0.09814549220535 0.50058066500809 10.811 7 B 0.84605348482744 0.59814549220535 0.99941933499191 10.811 8 B 0.84605348482744 0.90185450779465 0.49941933499191 10.811 9 B 0.15394651517256 0.40185450779465 0.00058066500809 10.811 10 B 0.65245671142648 0.92089161478262 0.23697066115555 10.811 11 B 0.65245671142648 0.57910838521738 0.73697066115555 10.811 12 B 0.34754328857352 0.07910838521738 0.76302933884445 10.811 13 B 0.90874518506392 0.67318485521439 0.39128038666328 10.811 14 B 0.09125481493608 0.17318485521439 0.10871961333673 10.811 15 B 0.09125481493608 0.32681514478561 0.60871961333672 10.811 16 B 0.90874518506392 0.82681514478561 0.89128038666328 10.811 17 B 0.72716839383941 0.46764568961876 0.44683614844592 10.811 18 B 0.27283160616059 0.96764568961875 0.05316385155408 10.811 19 B 0.27283160616059 0.53235431038125 0.55316385155408 10.811 20 B 0.72716839383941 0.03235431038124 0.94683614844592 10.811 21 O 0.79680628581962 0.78670753836805 0.26427946349433 15.999 22 O 0.56976355507591 0.34951948828424 0.06888519370002 15.999 23 O 0.43023644492409 0.84951948828424 0.43111480629998 15.999 24 O 0.43023644492409 0.65048051171576 0.93111480629998 15.999 25 O 0.56976355507591 0.15048051171576 0.56888519370002 15.999 26 O 0.88354923874161 0.54568037374566 0.11749143959421 15.999 27 O 0.11645076125839 0.04568037374566 0.38250856040579 15.999 28 O 0.11645076125839 0.45431962625434 0.88250856040579 15.999 29 O 0.20319371418038 0.28670753836805 0.23572053650567 15.999 30 O 0.88354923874161 0.95431962625434 0.61749143959421 15.999 31 O 0.79680628581962 0.71329246163195 0.76427946349433 15.999 32 O 0.20319371418038 0.21329246163195 0.73572053650567 15.999 33 O 0.31562944134762 0.46438576689401 0.13295229101090 15.999 34 O 0.68437055865238 0.96438576689401 0.36704770898910 15.999 35 O 0.68437055865238 0.53561423310599 0.86704770898910 15.999 36 O 0.31562944134762 0.03561423310599 0.63295229101090 15.999 37 O 0.31974998785065 0.58632660028027 0.30916628426556 15.999 38 O 0.68025001214935 0.08632660028027 0.19083371573443 15.999 39 O 0.68025001214935 0.41367339971973 0.69083371573443 15.999 40 O 0.31974998785065 0.91367339971973 0.80916628426557 15.999 41 O 0.55287826721122 0.34863938347596 0.36975998597014 15.999 42 O 0.44712173278878 0.84863938347596 0.13024001402986 15.999 43 O 0.44712173278878 0.65136061652404 0.63024001402986 15.999 44 O 0.55287826721122 0.15136061652404 0.86975998597014 15.999 45 O 0.76835123897476 0.52466930675499 0.35288379231403 15.999 46 O 0.23164876102524 0.02466930675499 0.14711620768597 15.999 47 O 0.23164876102524 0.47533069324501 0.64711620768597 15.999 48 O 0.76835123897476 0.97533069324501 0.85288379231403 15.999 49 O 0.08900860832515 0.60571775044812 0.41539793030210 15.999 50 O 0.91099139167485 0.10571775044812 0.08460206969790 15.999 51 O 0.91099139167485 0.39428224955188 0.58460206969790 15.999 52 O 0.67886281706856 0.87231083743488 0.99087907674301 15.999 53 O 0.97366888324446 0.77434792066722 0.51400126646540 15.999 54 O 0.02633111675554 0.27434792066722 0.98599873353460 15.999 55 O 0.02633111675554 0.22565207933278 0.48599873353460 15.999 56 O 0.97366888324446 0.72565207933278 0.01400126646540 15.999 57 O 0.67886281706856 0.62768916256512 0.49087907674301 15.999 58 O 0.32113718293144 0.12768916256512 0.00912092325699 15.999 59 O 0.32113718293144 0.37231083743488 0.50912092325699 15.999 60 O 0.08900860832515 0.89428224955188 0.91539793030210 15.999 61 Zn 0.51556527418797 0.58793575832387 0.12411005355590 65.380 62 Zn 0.48443472581203 0.08793575832387 0.37588994644410 65.380 63 Zn 0.48443472581203 0.41206424167613 0.87588994644410 65.380 64 Zn 0.51556527418797 0.91206424167613 0.62411005355590 65.380 65 Nd 0.05431900479223 0.81630342788108 0.23577952935269 144.242 66 Nd 0.94568099520777 0.31630342788108 0.26422047064731 144.242 67 Nd 0.94568099520777 0.18369657211892 0.76422047064731 144.242 68 Nd 0.05431900479223 0.68369657211892 0.73577952935269 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.669024041861048 0.000000000000000 0.000000000000000 b 0.000000000000000 15.223647620000005 0.000000000000000 c -8.153870274463724 0.000000000000000 9.434786387574569 Atomic positions (fractional): 1 B 0.34754328857352 0.21044580739131 0.26302933884445 10.811 > 1 2 B 0.34754328857352 0.71044580739131 0.26302933884445 10.811 > 1 3 B 0.48379025767015 0.40623722471625 0.91479301234637 10.811 > 3 4 B 0.48379025767015 0.90623722471625 0.91479301234637 10.811 > 3 5 B 0.51620974232985 0.15623722471625 0.58520698765363 10.811 > 5 6 B 0.51620974232985 0.65623722471625 0.58520698765363 10.811 > 5 7 B 0.51620974232985 0.09376277528375 0.08520698765363 10.811 > 7 8 B 0.51620974232985 0.59376277528375 0.08520698765363 10.811 > 7 9 B 0.48379025767015 0.34376277528375 0.41479301234637 10.811 > 9 10 B 0.48379025767015 0.84376277528375 0.41479301234637 10.811 > 9 11 B 0.15394651517256 0.04907274610268 0.50058066500809 10.811 > 11 12 B 0.15394651517256 0.54907274610267 0.50058066500809 10.811 > 11 13 B 0.84605348482744 0.29907274610267 0.99941933499191 10.811 > 13 14 B 0.84605348482744 0.79907274610267 0.99941933499191 10.811 > 13 15 B 0.84605348482744 0.45092725389733 0.49941933499191 10.811 > 15 16 B 0.84605348482744 0.95092725389733 0.49941933499191 10.811 > 15 17 B 0.15394651517256 0.20092725389732 0.00058066500809 10.811 > 17 18 B 0.15394651517256 0.70092725389733 0.00058066500809 10.811 > 17 19 B 0.65245671142648 0.46044580739131 0.23697066115555 10.811 > 19 20 B 0.65245671142648 0.96044580739131 0.23697066115555 10.811 > 19 21 B 0.65245671142648 0.28955419260869 0.73697066115555 10.811 > 21 22 B 0.65245671142648 0.78955419260869 0.73697066115555 10.811 > 21 23 B 0.34754328857352 0.03955419260869 0.76302933884445 10.811 > 23 24 B 0.34754328857352 0.53955419260869 0.76302933884445 10.811 > 23 25 B 0.90874518506392 0.33659242760719 0.39128038666328 10.811 > 25 26 B 0.90874518506392 0.83659242760719 0.39128038666328 10.811 > 25 27 B 0.09125481493608 0.08659242760720 0.10871961333673 10.811 > 27 28 B 0.09125481493608 0.58659242760719 0.10871961333673 10.811 > 27 29 B 0.09125481493608 0.16340757239281 0.60871961333672 10.811 > 29 30 B 0.09125481493608 0.66340757239281 0.60871961333672 10.811 > 29 31 B 0.90874518506392 0.41340757239281 0.89128038666328 10.811 > 31 32 B 0.90874518506392 0.91340757239281 0.89128038666328 10.811 > 31 33 B 0.72716839383941 0.23382284480938 0.44683614844592 10.811 > 33 34 B 0.72716839383941 0.73382284480938 0.44683614844592 10.811 > 33 35 B 0.27283160616059 0.48382284480938 0.05316385155408 10.811 > 35 36 B 0.27283160616059 0.98382284480938 0.05316385155408 10.811 > 35 37 B 0.27283160616059 0.26617715519062 0.55316385155408 10.811 > 37 38 B 0.27283160616059 0.76617715519062 0.55316385155408 10.811 > 37 39 B 0.72716839383941 0.01617715519062 0.94683614844592 10.811 > 39 40 B 0.72716839383941 0.51617715519062 0.94683614844592 10.811 > 39 41 O 0.79680628581962 0.39335376918402 0.26427946349433 15.999 > 41 42 O 0.79680628581962 0.89335376918402 0.26427946349433 15.999 > 41 43 O 0.56976355507591 0.17475974414212 0.06888519370002 15.999 > 43 44 O 0.56976355507591 0.67475974414212 0.06888519370002 15.999 > 43 45 O 0.43023644492409 0.42475974414212 0.43111480629998 15.999 > 45 46 O 0.43023644492409 0.92475974414212 0.43111480629998 15.999 > 45 47 O 0.43023644492409 0.32524025585788 0.93111480629998 15.999 > 47 48 O 0.43023644492409 0.82524025585788 0.93111480629998 15.999 > 47 49 O 0.56976355507591 0.07524025585788 0.56888519370002 15.999 > 49 50 O 0.56976355507591 0.57524025585788 0.56888519370002 15.999 > 49 51 O 0.88354923874161 0.27284018687283 0.11749143959421 15.999 > 51 52 O 0.88354923874161 0.77284018687283 0.11749143959421 15.999 > 51 53 O 0.11645076125839 0.02284018687283 0.38250856040579 15.999 > 53 54 O 0.11645076125839 0.52284018687283 0.38250856040579 15.999 > 53 55 O 0.11645076125839 0.22715981312717 0.88250856040579 15.999 > 55 56 O 0.11645076125839 0.72715981312717 0.88250856040579 15.999 > 55 57 O 0.20319371418038 0.14335376918402 0.23572053650567 15.999 > 57 58 O 0.20319371418038 0.64335376918402 0.23572053650567 15.999 > 57 59 O 0.88354923874161 0.47715981312717 0.61749143959421 15.999 > 59 60 O 0.88354923874161 0.97715981312717 0.61749143959421 15.999 > 59 61 O 0.79680628581962 0.35664623081598 0.76427946349433 15.999 > 61 62 O 0.79680628581962 0.85664623081598 0.76427946349433 15.999 > 61 63 O 0.20319371418038 0.10664623081598 0.73572053650567 15.999 > 63 64 O 0.20319371418038 0.60664623081598 0.73572053650567 15.999 > 63 65 O 0.31562944134762 0.23219288344700 0.13295229101090 15.999 > 65 66 O 0.31562944134762 0.73219288344700 0.13295229101090 15.999 > 65 67 O 0.68437055865238 0.48219288344700 0.36704770898910 15.999 > 67 68 O 0.68437055865238 0.98219288344700 0.36704770898910 15.999 > 67 69 O 0.68437055865238 0.26780711655300 0.86704770898910 15.999 > 69 70 O 0.68437055865238 0.76780711655300 0.86704770898910 15.999 > 69 71 O 0.31562944134762 0.01780711655300 0.63295229101090 15.999 > 71 72 O 0.31562944134762 0.51780711655300 0.63295229101090 15.999 > 71 73 O 0.31974998785065 0.29316330014013 0.30916628426556 15.999 > 73 74 O 0.31974998785065 0.79316330014013 0.30916628426556 15.999 > 73 75 O 0.68025001214935 0.04316330014013 0.19083371573443 15.999 > 75 76 O 0.68025001214935 0.54316330014013 0.19083371573443 15.999 > 75 77 O 0.68025001214935 0.20683669985987 0.69083371573443 15.999 > 77 78 O 0.68025001214935 0.70683669985987 0.69083371573443 15.999 > 77 79 O 0.31974998785065 0.45683669985987 0.80916628426557 15.999 > 79 80 O 0.31974998785065 0.95683669985987 0.80916628426557 15.999 > 79 81 O 0.55287826721122 0.17431969173798 0.36975998597014 15.999 > 81 82 O 0.55287826721122 0.67431969173798 0.36975998597014 15.999 > 81 83 O 0.44712173278878 0.42431969173798 0.13024001402986 15.999 > 83 84 O 0.44712173278878 0.92431969173798 0.13024001402986 15.999 > 83 85 O 0.44712173278878 0.32568030826202 0.63024001402986 15.999 > 85 86 O 0.44712173278878 0.82568030826202 0.63024001402986 15.999 > 85 87 O 0.55287826721122 0.07568030826202 0.86975998597014 15.999 > 87 88 O 0.55287826721122 0.57568030826202 0.86975998597014 15.999 > 87 89 O 0.76835123897476 0.26233465337749 0.35288379231403 15.999 > 89 90 O 0.76835123897476 0.76233465337749 0.35288379231403 15.999 > 89 91 O 0.23164876102524 0.01233465337749 0.14711620768597 15.999 > 91 92 O 0.23164876102524 0.51233465337749 0.14711620768597 15.999 > 91 93 O 0.23164876102524 0.23766534662251 0.64711620768597 15.999 > 93 94 O 0.23164876102524 0.73766534662251 0.64711620768597 15.999 > 93 95 O 0.76835123897476 0.48766534662251 0.85288379231403 15.999 > 95 96 O 0.76835123897476 0.98766534662251 0.85288379231403 15.999 > 95 97 O 0.08900860832515 0.30285887522406 0.41539793030210 15.999 > 97 98 O 0.08900860832515 0.80285887522406 0.41539793030210 15.999 > 97 99 O 0.91099139167485 0.05285887522406 0.08460206969790 15.999 > 99 100 O 0.91099139167485 0.55285887522406 0.08460206969790 15.999 > 99 101 O 0.91099139167485 0.19714112477594 0.58460206969790 15.999 > 101 102 O 0.91099139167485 0.69714112477594 0.58460206969790 15.999 > 101 103 O 0.67886281706856 0.43615541871744 0.99087907674301 15.999 > 103 104 O 0.67886281706856 0.93615541871744 0.99087907674301 15.999 > 103 105 O 0.97366888324446 0.38717396033361 0.51400126646540 15.999 > 105 106 O 0.97366888324446 0.88717396033361 0.51400126646540 15.999 > 105 107 O 0.02633111675554 0.13717396033361 0.98599873353460 15.999 > 107 108 O 0.02633111675554 0.63717396033361 0.98599873353460 15.999 > 107 109 O 0.02633111675554 0.11282603966639 0.48599873353460 15.999 > 109 110 O 0.02633111675554 0.61282603966639 0.48599873353460 15.999 > 109 111 O 0.97366888324446 0.36282603966639 0.01400126646540 15.999 > 111 112 O 0.97366888324446 0.86282603966639 0.01400126646540 15.999 > 111 113 O 0.67886281706856 0.31384458128256 0.49087907674301 15.999 > 113 114 O 0.67886281706856 0.81384458128256 0.49087907674301 15.999 > 113 115 O 0.32113718293144 0.06384458128256 0.00912092325699 15.999 > 115 116 O 0.32113718293144 0.56384458128256 0.00912092325699 15.999 > 115 117 O 0.32113718293144 0.18615541871744 0.50912092325699 15.999 > 117 118 O 0.32113718293144 0.68615541871744 0.50912092325699 15.999 > 117 119 O 0.08900860832515 0.44714112477594 0.91539793030210 15.999 > 119 120 O 0.08900860832515 0.94714112477594 0.91539793030210 15.999 > 119 121 Zn 0.51556527418797 0.29396787916194 0.12411005355590 65.380 > 121 122 Zn 0.51556527418797 0.79396787916194 0.12411005355590 65.380 > 121 123 Zn 0.48443472581203 0.04396787916194 0.37588994644410 65.380 > 123 124 Zn 0.48443472581203 0.54396787916194 0.37588994644410 65.380 > 123 125 Zn 0.48443472581203 0.20603212083806 0.87588994644410 65.380 > 125 126 Zn 0.48443472581203 0.70603212083806 0.87588994644410 65.380 > 125 127 Zn 0.51556527418797 0.45603212083806 0.62411005355590 65.380 > 127 128 Zn 0.51556527418797 0.95603212083806 0.62411005355590 65.380 > 127 129 Nd 0.05431900479223 0.40815171394054 0.23577952935269 144.242 > 129 130 Nd 0.05431900479223 0.90815171394054 0.23577952935269 144.242 > 129 131 Nd 0.94568099520777 0.15815171394054 0.26422047064731 144.242 > 131 132 Nd 0.94568099520777 0.65815171394054 0.26422047064731 144.242 > 131 133 Nd 0.94568099520777 0.09184828605946 0.76422047064731 144.242 > 133 134 Nd 0.94568099520777 0.59184828605946 0.76422047064731 144.242 > 133 135 Nd 0.05431900479223 0.34184828605946 0.73577952935269 144.242 > 135 136 Nd 0.05431900479223 0.84184828605946 0.73577952935269 144.242 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3164482 0.0000000 0.0204940 0.0000000 3.4524261 0.0000000 0.0204935 0.0000000 3.4842245 -------------------------- Born effective charges -------------------------- 1 B 2.1783309 0.0810485 -0.0993618 -0.0144555 2.5457592 0.2454616 -0.0874797 0.1297011 2.6953927 2 B 2.1735231 0.6584095 0.7755972 0.6016188 2.4941757 -0.3844209 0.7450493 -0.3728024 1.7249610 3 B 2.1735231 -0.6584095 0.7755972 -0.6016188 2.4941757 0.3844209 0.7450493 0.3728024 1.7249610 4 B 2.1735231 0.6584095 0.7755972 0.6016188 2.4941757 -0.3844209 0.7450493 -0.3728024 1.7249610 5 B 2.1735231 -0.6584095 0.7755972 -0.6016188 2.4941757 0.3844209 0.7450493 0.3728024 1.7249610 6 B 1.7927355 -0.4784681 -0.1271565 -0.6744228 1.9090515 -0.1030661 -0.3026327 0.0368493 2.9929307 7 B 1.7927355 0.4784681 -0.1271565 0.6744228 1.9090515 0.1030661 -0.3026327 -0.0368493 2.9929307 8 B 1.7927355 -0.4784681 -0.1271565 -0.6744228 1.9090515 -0.1030661 -0.3026327 0.0368493 2.9929307 9 B 1.7927355 0.4784681 -0.1271565 0.6744228 1.9090515 0.1030661 -0.3026327 -0.0368493 2.9929307 10 B 2.1783309 -0.0810485 -0.0993618 0.0144555 2.5457592 -0.2454616 -0.0874797 -0.1297011 2.6953927 11 B 2.1783309 0.0810485 -0.0993618 -0.0144555 2.5457592 0.2454616 -0.0874797 0.1297011 2.6953927 12 B 2.1783309 -0.0810485 -0.0993618 0.0144555 2.5457592 -0.2454616 -0.0874797 -0.1297011 2.6953927 13 B 2.4772918 -0.2075345 -0.1568723 -0.1711939 2.4004040 0.0197583 0.0249602 0.0834367 2.2633796 14 B 2.4772918 0.2075345 -0.1568723 0.1711939 2.4004040 -0.0197583 0.0249602 -0.0834367 2.2633796 15 B 2.4772918 -0.2075345 -0.1568723 -0.1711939 2.4004040 0.0197583 0.0249602 0.0834367 2.2633796 16 B 2.4772918 0.2075345 -0.1568723 0.1711939 2.4004040 -0.0197583 0.0249602 -0.0834367 2.2633796 17 B 2.7296495 0.0161039 0.0971645 0.1197679 2.2793043 0.0119918 0.1196298 -0.1554439 2.5628876 18 B 2.7296495 -0.0161039 0.0971645 -0.1197679 2.2793043 -0.0119918 0.1196298 0.1554439 2.5628876 19 B 2.7296495 0.0161039 0.0971645 0.1197679 2.2793043 0.0119918 0.1196298 -0.1554439 2.5628876 20 B 2.7296495 -0.0161039 0.0971645 -0.1197679 2.2793043 -0.0119918 0.1196298 0.1554439 2.5628876 21 O -1.9637020 0.2834823 -0.0369259 0.2869488 -1.8220120 0.4139426 -0.1064839 0.3774414 -1.6819876 22 O -1.6225722 -0.2993515 -0.1057834 -0.3785211 -2.2920317 0.1709937 -0.1385256 0.2084696 -1.6430477 23 O -1.6225722 0.2993515 -0.1057834 0.3785211 -2.2920317 -0.1709937 -0.1385256 -0.2084696 -1.6430477 24 O -1.6225722 -0.2993515 -0.1057834 -0.3785211 -2.2920317 0.1709937 -0.1385256 0.2084696 -1.6430477 25 O -1.6225722 0.2993515 -0.1057834 0.3785211 -2.2920317 -0.1709937 -0.1385256 -0.2084696 -1.6430477 26 O -1.3396211 -0.3867034 0.3758380 -0.5263367 -2.1604161 0.4183815 0.5439008 0.4033657 -2.4719961 27 O -1.3396211 0.3867034 0.3758380 0.5263367 -2.1604161 -0.4183815 0.5439008 -0.4033657 -2.4719961 28 O -1.3396211 -0.3867034 0.3758380 -0.5263367 -2.1604161 0.4183815 0.5439008 0.4033657 -2.4719961 29 O -1.9637020 -0.2834823 -0.0369259 -0.2869488 -1.8220120 -0.4139426 -0.1064839 -0.3774414 -1.6819876 30 O -1.3396211 0.3867034 0.3758380 0.5263367 -2.1604161 -0.4183815 0.5439008 -0.4033657 -2.4719961 31 O -1.9637020 -0.2834823 -0.0369259 -0.2869488 -1.8220120 -0.4139426 -0.1064839 -0.3774414 -1.6819876 32 O -1.9637020 0.2834823 -0.0369259 0.2869488 -1.8220120 0.4139426 -0.1064839 0.3774414 -1.6819876 33 O -1.4810151 -0.3363011 0.2276685 -0.3196021 -1.1913686 -0.3115429 0.1854050 -0.1532439 -2.5576466 34 O -1.4810151 0.3363011 0.2276685 0.3196021 -1.1913686 0.3115429 0.1854050 0.1532439 -2.5576466 35 O -1.4810151 -0.3363011 0.2276685 -0.3196021 -1.1913686 -0.3115429 0.1854050 -0.1532439 -2.5576466 36 O -1.4810151 0.3363011 0.2276685 0.3196021 -1.1913686 0.3115429 0.1854050 0.1532439 -2.5576466 37 O -1.4042529 0.3952642 -0.3428699 0.3445247 -2.1931733 -0.6304309 -0.3256714 -0.6627932 -1.5552926 38 O -1.4042529 -0.3952642 -0.3428699 -0.3445247 -2.1931733 0.6304309 -0.3256714 0.6627932 -1.5552926 39 O -1.4042529 0.3952642 -0.3428699 0.3445247 -2.1931733 -0.6304309 -0.3256714 -0.6627932 -1.5552926 40 O -1.4042529 -0.3952642 -0.3428699 -0.3445247 -2.1931733 0.6304309 -0.3256714 0.6627932 -1.5552926 41 O -1.7565473 -0.3082916 -0.5692092 -0.3133613 -1.7924601 -0.1595982 -0.5893228 -0.0317160 -1.7632123 42 O -1.7565473 0.3082916 -0.5692092 0.3133613 -1.7924601 0.1595982 -0.5893228 0.0317160 -1.7632123 43 O -1.7565473 -0.3082916 -0.5692092 -0.3133613 -1.7924601 -0.1595982 -0.5893228 -0.0317160 -1.7632123 44 O -1.7565473 0.3082916 -0.5692092 0.3133613 -1.7924601 0.1595982 -0.5893228 0.0317160 -1.7632123 45 O -2.0892073 -0.4267195 0.3364003 -0.4049320 -1.6665843 0.0186000 0.2491048 0.0781240 -1.7597676 46 O -2.0892073 0.4267195 0.3364003 0.4049320 -1.6665843 -0.0186000 0.2491048 -0.0781240 -1.7597676 47 O -2.0892073 -0.4267195 0.3364003 -0.4049320 -1.6665843 0.0186000 0.2491048 0.0781240 -1.7597676 48 O -2.0892073 0.4267195 0.3364003 0.4049320 -1.6665843 -0.0186000 0.2491048 -0.0781240 -1.7597676 49 O -1.9445025 0.3319949 -0.2806667 0.2400855 -1.7066452 0.4064668 -0.2505719 0.3923384 -2.0026739 50 O -1.9445025 -0.3319949 -0.2806667 -0.2400855 -1.7066452 -0.4064668 -0.2505719 -0.3923384 -2.0026739 51 O -1.9445025 0.3319949 -0.2806667 0.2400855 -1.7066452 0.4064668 -0.2505719 0.3923384 -2.0026739 52 O -2.0713915 -0.6199885 -0.5546034 -0.5596106 -1.7650794 0.0461024 -0.5317633 0.0344259 -1.4784453 53 O -1.6117910 0.5992135 0.4421415 0.5815852 -1.7364754 -0.1466985 0.4391726 -0.2715379 -1.9039823 54 O -1.6117910 -0.5992135 0.4421415 -0.5815852 -1.7364754 0.1466985 0.4391726 0.2715379 -1.9039823 55 O -1.6117910 0.5992135 0.4421415 0.5815852 -1.7364754 -0.1466985 0.4391726 -0.2715379 -1.9039823 56 O -1.6117910 -0.5992135 0.4421415 -0.5815852 -1.7364754 0.1466985 0.4391726 0.2715379 -1.9039823 57 O -2.0713915 0.6199885 -0.5546034 0.5596106 -1.7650794 -0.0461024 -0.5317633 -0.0344259 -1.4784453 58 O -2.0713915 -0.6199885 -0.5546034 -0.5596106 -1.7650794 0.0461024 -0.5317633 0.0344259 -1.4784453 59 O -2.0713915 0.6199885 -0.5546034 0.5596106 -1.7650794 -0.0461024 -0.5317633 -0.0344259 -1.4784453 60 O -1.9445025 -0.3319949 -0.2806667 -0.2400855 -1.7066452 -0.4064668 -0.2505719 -0.3923384 -2.0026739 61 Zn 2.0790041 0.0827523 -0.0516696 0.1100933 2.6028943 0.0575136 0.0073317 0.0522697 2.4156970 62 Zn 2.0790041 -0.0827523 -0.0516696 -0.1100933 2.6028943 -0.0575136 0.0073317 -0.0522697 2.4156970 63 Zn 2.0790041 0.0827523 -0.0516696 0.1100933 2.6028943 0.0575136 0.0073317 0.0522697 2.4156970 64 Zn 2.0790041 -0.0827523 -0.0516696 -0.1100933 2.6028943 -0.0575136 0.0073317 -0.0522697 2.4156970 65 Nd 3.8540681 -0.1234622 0.0703086 -0.1112871 4.0946570 0.3613945 0.0178970 0.3256164 4.1628033 66 Nd 3.8540681 0.1234622 0.0703086 0.1112871 4.0946570 -0.3613945 0.0178970 -0.3256164 4.1628033 67 Nd 3.8540681 -0.1234622 0.0703086 -0.1112871 4.0946570 0.3613945 0.0178970 0.3256164 4.1628033 68 Nd 3.8540681 0.1234622 0.0703086 0.1112871 4.0946570 -0.3613945 0.0178970 -0.3256164 4.1628033 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 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: 0.49, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.958 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.652 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.313 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.591 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 6.933 ( 0.000 0.000 0.000) 0.000 6.975 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.344 ( 0.000 0.000 0.000) 0.000 7.424 ( 0.000 0.000 0.000) 0.000 7.458 ( 0.000 0.000 0.000) 0.000 7.529 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 9.014 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.214 ( 0.000 0.000 0.000) 0.000 9.428 ( 0.000 0.000 0.000) 0.000 9.473 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.631 ( 0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.945 ( 0.000 0.000 0.000) 0.000 9.959 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 0.000) 0.000 10.586 ( 0.000 0.000 0.000) 0.000 10.605 ( 0.000 0.000 0.000) 0.000 10.711 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 11.206 ( 0.000 0.000 0.000) 0.000 11.239 ( 0.000 0.000 0.000) 0.000 11.404 ( 0.000 0.000 0.000) 0.000 11.583 ( 0.000 0.000 0.000) 0.000 11.870 ( 0.000 0.000 0.000) 0.000 11.900 ( 0.000 0.000 0.000) 0.000 12.193 ( 0.000 0.000 0.000) 0.000 12.295 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.416 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 12.840 ( 0.000 0.000 0.000) 0.000 12.855 ( 0.000 0.000 0.000) 0.000 12.953 ( 0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 13.294 ( 0.000 0.000 0.000) 0.000 13.551 ( 0.000 0.000 0.000) 0.000 13.570 ( 0.000 0.000 0.000) 0.000 13.758 ( 0.000 0.000 0.000) 0.000 14.375 ( 0.000 0.000 0.000) 0.000 14.491 ( 0.000 0.000 0.000) 0.000 14.514 ( 0.000 0.000 0.000) 0.000 14.945 ( 0.000 0.000 0.000) 0.000 15.069 ( 0.000 0.000 0.000) 0.000 15.094 ( 0.000 0.000 0.000) 0.000 15.238 ( 0.000 0.000 0.000) 0.000 15.405 ( 0.000 0.000 0.000) 0.000 15.538 ( 0.000 0.000 0.000) 0.000 15.620 ( 0.000 0.000 0.000) 0.000 16.010 ( 0.000 0.000 0.000) 0.000 16.178 ( 0.000 0.000 0.000) 0.000 16.580 ( 0.000 0.000 0.000) 0.000 16.654 ( 0.000 0.000 0.000) 0.000 16.752 ( 0.000 0.000 0.000) 0.000 16.786 ( 0.000 0.000 0.000) 0.000 16.957 ( 0.000 0.000 0.000) 0.000 17.219 ( 0.000 0.000 0.000) 0.000 17.562 ( 0.000 0.000 0.000) 0.000 17.648 ( 0.000 0.000 0.000) 0.000 17.994 ( 0.000 0.000 0.000) 0.000 18.123 ( 0.000 0.000 0.000) 0.000 18.218 ( 0.000 0.000 0.000) 0.000 18.392 ( 0.000 0.000 0.000) 0.000 18.421 ( 0.000 0.000 0.000) 0.000 18.586 ( 0.000 0.000 0.000) 0.000 18.615 ( 0.000 0.000 0.000) 0.000 19.006 ( 0.000 0.000 0.000) 0.000 19.121 ( 0.000 0.000 0.000) 0.000 19.304 ( 0.000 0.000 0.000) 0.000 19.312 ( 0.000 0.000 0.000) 0.000 19.338 ( 0.000 0.000 0.000) 0.000 19.571 ( 0.000 0.000 0.000) 0.000 19.797 ( 0.000 0.000 0.000) 0.000 19.890 ( 0.000 0.000 0.000) 0.000 19.909 ( 0.000 0.000 0.000) 0.000 19.990 ( 0.000 0.000 0.000) 0.000 20.265 ( 0.000 0.000 0.000) 0.000 20.623 ( 0.000 0.000 0.000) 0.000 20.890 ( 0.000 0.000 0.000) 0.000 21.275 ( 0.000 0.000 0.000) 0.000 21.315 ( 0.000 0.000 0.000) 0.000 21.932 ( 0.000 0.000 0.000) 0.000 21.949 ( 0.000 0.000 0.000) 0.000 22.049 ( 0.000 0.000 0.000) 0.000 22.212 ( 0.000 0.000 0.000) 0.000 22.285 ( 0.000 0.000 0.000) 0.000 22.384 ( 0.000 0.000 0.000) 0.000 22.626 ( 0.000 0.000 0.000) 0.000 22.948 ( 0.000 0.000 0.000) 0.000 23.319 ( 0.000 0.000 0.000) 0.000 23.725 ( 0.000 0.000 0.000) 0.000 24.623 ( 0.000 0.000 0.000) 0.000 24.783 ( 0.000 0.000 0.000) 0.000 25.423 ( 0.000 0.000 0.000) 0.000 25.506 ( 0.000 0.000 0.000) 0.000 25.638 ( 0.000 0.000 0.000) 0.000 25.885 ( 0.000 0.000 0.000) 0.000 26.405 ( 0.000 0.000 0.000) 0.000 26.641 ( 0.000 0.000 0.000) 0.000 26.764 ( 0.000 0.000 0.000) 0.000 26.777 ( 0.000 0.000 0.000) 0.000 26.900 ( 0.000 0.000 0.000) 0.000 26.940 ( 0.000 0.000 0.000) 0.000 27.298 ( 0.000 0.000 0.000) 0.000 27.516 ( 0.000 0.000 0.000) 0.000 27.518 ( 0.000 0.000 0.000) 0.000 27.883 ( 0.000 0.000 0.000) 0.000 28.018 ( 0.000 0.000 0.000) 0.000 28.066 ( 0.000 0.000 0.000) 0.000 28.315 ( 0.000 0.000 0.000) 0.000 28.357 ( 0.000 0.000 0.000) 0.000 28.418 ( 0.000 0.000 0.000) 0.000 28.800 ( 0.000 0.000 0.000) 0.000 28.940 ( 0.000 0.000 0.000) 0.000 28.960 ( 0.000 0.000 0.000) 0.000 29.050 ( 0.000 0.000 0.000) 0.000 29.437 ( 0.000 0.000 0.000) 0.000 29.480 ( 0.000 0.000 0.000) 0.000 29.550 ( 0.000 0.000 0.000) 0.000 29.779 ( 0.000 0.000 0.000) 0.000 29.818 ( 0.000 0.000 0.000) 0.000 30.604 ( 0.000 0.000 0.000) 0.000 30.734 ( 0.000 0.000 0.000) 0.000 30.850 ( 0.000 0.000 0.000) 0.000 31.503 ( 0.000 0.000 0.000) 0.000 31.566 ( 0.000 0.000 0.000) 0.000 31.621 ( 0.000 0.000 0.000) 0.000 31.932 ( 0.000 0.000 0.000) 0.000 32.027 ( 0.000 0.000 0.000) 0.000 32.119 ( 0.000 0.000 0.000) 0.000 32.614 ( 0.000 0.000 0.000) 0.000 32.752 ( 0.000 0.000 0.000) 0.000 32.824 ( 0.000 0.000 0.000) 0.000 32.856 ( 0.000 0.000 0.000) 0.000 32.926 ( 0.000 0.000 0.000) 0.000 33.387 ( 0.000 0.000 0.000) 0.000 33.428 ( 0.000 0.000 0.000) 0.000 33.660 ( 0.000 0.000 0.000) 0.000 38.192 ( 0.000 0.000 0.000) 0.000 38.367 ( 0.000 0.000 0.000) 0.000 38.651 ( 0.000 0.000 0.000) 0.000 38.740 ( 0.000 0.000 0.000) 0.000 39.253 ( 0.000 0.000 0.000) 0.000 39.681 ( 0.000 0.000 0.000) 0.000 39.691 ( 0.000 0.000 0.000) 0.000 39.733 ( 0.000 0.000 0.000) 0.000 40.991 ( 0.000 0.000 0.000) 0.000 41.027 ( 0.000 0.000 0.000) 0.000 41.215 ( 0.000 0.000 0.000) 0.000 41.426 ( 0.000 0.000 0.000) 0.000 42.271 ( 0.000 0.000 0.000) 0.000 42.431 ( 0.000 0.000 0.000) 0.000 42.457 ( 0.000 0.000 0.000) 0.000 43.685 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 18.995 0.000 34.673) 39.535 0.831 ( 30.323 0.000 29.144) 42.058 1.519 ( 53.345 0.000 51.179) 73.925 2.394 ( -2.993 0.000 4.015) 5.008 2.672 ( -9.140 0.000 -10.244) 13.729 2.965 ( -3.134 0.000 0.712) 3.214 3.064 ( 4.907 0.000 2.543) 5.527 3.148 ( 1.122 0.000 0.785) 1.369 3.222 ( -0.495 0.000 -3.415) 3.450 3.306 ( -3.709 0.000 -2.552) 4.502 3.368 ( -8.693 0.000 -1.569) 8.834 3.507 ( -8.368 0.000 -6.287) 10.466 3.575 ( 0.230 0.000 1.980) 1.993 3.725 ( -6.382 0.000 -3.576) 7.316 3.976 ( -3.029 0.000 -0.626) 3.093 4.070 ( -3.877 0.000 7.425) 8.376 4.139 ( -3.570 0.000 5.226) 6.329 4.354 ( -1.011 0.000 4.755) 4.861 4.356 ( 0.126 0.000 -7.978) 7.979 4.417 ( 10.840 0.000 -10.452) 15.058 4.523 ( -8.115 0.000 -11.607) 14.162 4.704 ( 1.651 0.000 -9.789) 9.928 4.730 ( -6.523 0.000 -2.156) 6.870 4.860 ( -0.568 0.000 5.022) 5.054 4.997 ( -3.394 0.000 -4.944) 5.997 5.265 ( 2.345 0.000 1.920) 3.031 5.273 ( -0.952 0.000 -0.689) 1.175 5.299 ( 3.140 0.000 -2.683) 4.131 5.426 ( 5.353 0.000 1.208) 5.488 5.590 ( 5.268 0.000 -7.870) 9.470 5.606 ( -4.553 0.000 18.480) 19.032 5.842 ( -9.492 0.000 6.096) 11.281 6.003 ( 8.863 0.000 10.925) 14.068 6.106 ( 4.090 0.000 -17.779) 18.243 6.221 ( 0.376 0.000 4.147) 4.164 6.289 ( -1.223 0.000 0.680) 1.399 6.522 ( 4.106 0.000 -0.573) 4.145 6.580 ( -4.296 0.000 6.833) 8.071 6.604 ( 15.935 0.000 -13.835) 21.103 6.664 ( 0.898 0.000 3.399) 3.516 6.720 ( -6.110 0.000 -9.089) 10.952 6.823 ( -6.360 0.000 -2.080) 6.691 6.956 ( -1.845 0.000 -1.535) 2.400 7.224 ( -9.098 0.000 17.164) 19.426 7.227 ( -6.996 0.000 -4.837) 8.505 7.284 ( -10.354 0.000 -4.323) 11.220 7.458 ( -8.856 0.000 1.459) 8.975 7.580 ( 6.108 0.000 2.400) 6.563 7.726 ( 2.309 0.000 3.283) 4.014 7.823 ( -6.008 0.000 -6.313) 8.715 8.192 ( 2.108 0.000 -2.655) 3.390 8.267 ( 7.652 0.000 4.216) 8.736 8.489 ( 2.215 0.000 6.607) 6.968 8.629 ( -7.552 0.000 -2.033) 7.821 8.950 ( -1.367 0.000 -9.028) 9.131 9.080 ( 1.170 0.000 -4.324) 4.480 9.099 ( 3.639 0.000 -1.080) 3.796 9.185 ( 4.271 0.000 2.141) 4.777 9.375 ( -0.489 0.000 -3.235) 3.272 9.433 ( 4.022 0.000 -3.513) 5.341 9.677 ( 4.789 0.000 1.476) 5.012 9.747 ( 3.829 0.000 7.567) 8.480 9.801 ( -1.403 0.000 1.173) 1.829 9.935 ( -1.893 0.000 0.920) 2.105 10.038 ( 1.698 0.000 3.349) 3.755 10.486 ( -0.049 0.000 -1.389) 1.390 10.543 ( -10.577 0.000 -0.423) 10.585 10.602 ( -1.521 0.000 4.383) 4.639 10.766 ( 1.591 0.000 5.463) 5.690 10.818 ( 0.598 0.000 3.650) 3.699 11.184 ( -5.531 0.000 -2.040) 5.895 11.219 ( 0.854 0.000 1.722) 1.922 11.362 ( -4.350 0.000 -1.096) 4.486 11.518 ( -9.283 0.000 -2.526) 9.621 11.911 ( 1.431 0.000 2.128) 2.565 11.911 ( 0.897 0.000 -0.296) 0.944 12.265 ( 3.225 0.000 5.252) 6.163 12.267 ( -0.498 0.000 -2.950) 2.992 12.400 ( 0.021 0.000 -2.575) 2.575 12.450 ( 3.689 0.000 -0.417) 3.712 12.780 ( -4.573 0.000 -1.788) 4.910 12.806 ( 0.241 0.000 1.715) 1.732 12.880 ( 2.416 0.000 1.260) 2.725 12.978 ( 0.906 0.000 0.724) 1.160 13.185 ( -6.975 0.000 3.139) 7.648 13.455 ( 10.775 0.000 3.404) 11.300 13.480 ( -8.101 0.000 -0.498) 8.116 13.674 ( 5.769 0.000 -1.212) 5.895 13.932 ( 3.428 0.000 0.896) 3.543 14.287 ( -5.622 0.000 -4.569) 7.245 14.494 ( 1.059 0.000 -0.790) 1.321 14.544 ( 1.872 0.000 0.493) 1.936 14.871 ( -1.464 0.000 -3.803) 4.075 15.103 ( -2.097 0.000 0.669) 2.201 15.226 ( 2.509 0.000 -6.080) 6.577 15.277 ( 9.717 0.000 9.731) 13.752 15.342 ( -2.316 0.000 -6.202) 6.621 15.581 ( 2.675 0.000 1.841) 3.247 15.639 ( 0.499 0.000 -4.912) 4.937 16.023 ( 0.377 0.000 0.531) 0.651 16.149 ( -2.208 0.000 0.895) 2.383 16.485 ( -0.209 0.000 -2.067) 2.077 16.568 ( -7.343 0.000 -7.898) 10.784 16.780 ( -6.232 0.000 -4.300) 7.572 16.919 ( 8.900 0.000 13.259) 15.969 17.101 ( 4.848 0.000 7.777) 9.165 17.183 ( -2.509 0.000 -2.188) 3.328 17.528 ( -1.362 0.000 -3.772) 4.011 17.639 ( 0.464 0.000 -1.558) 1.625 17.898 ( -10.101 0.000 -10.509) 14.576 18.072 ( -5.840 0.000 -6.502) 8.740 18.196 ( 3.719 0.000 -4.718) 6.007 18.355 ( 2.176 0.000 -2.755) 3.511 18.470 ( 2.367 0.000 -0.485) 2.416 18.717 ( 5.586 0.000 7.016) 8.968 18.830 ( 15.773 0.000 17.913) 23.868 19.016 ( -2.138 0.000 -1.768) 2.774 19.091 ( -5.544 0.000 -6.076) 8.225 19.200 ( -6.736 0.000 -7.208) 9.865 19.512 ( 2.673 0.000 8.121) 8.549 19.566 ( -2.615 0.000 -0.392) 2.644 19.642 ( 25.502 0.000 26.511) 36.786 19.789 ( -3.730 0.000 1.632) 4.072 19.916 ( -1.484 0.000 1.944) 2.446 19.922 ( 0.798 0.000 4.976) 5.039 20.089 ( 10.055 0.000 6.180) 11.802 20.150 ( -8.146 0.000 -10.636) 13.397 20.654 ( 2.554 0.000 -0.251) 2.567 20.840 ( -1.828 0.000 -4.608) 4.958 21.121 ( -14.308 0.000 -13.953) 19.985 21.421 ( 8.517 0.000 12.214) 14.890 21.957 ( 1.790 0.000 2.210) 2.844 21.978 ( -0.194 0.000 -3.930) 3.935 22.070 ( 1.096 0.000 2.015) 2.294 22.177 ( -2.942 0.000 -2.333) 3.754 22.290 ( 1.147 0.000 -0.192) 1.163 22.363 ( -2.337 0.000 -3.802) 4.463 22.605 ( -14.259 0.000 -13.549) 19.669 22.668 ( 3.381 0.000 2.951) 4.488 23.280 ( -20.710 0.000 -18.742) 27.932 23.736 ( 20.691 0.000 17.338) 26.995 24.667 ( -7.562 0.000 -9.775) 12.359 25.094 ( 21.062 0.000 23.505) 31.560 25.434 ( 0.963 0.000 1.926) 2.153 25.465 ( -2.740 0.000 -1.788) 3.271 25.676 ( 1.747 0.000 1.659) 2.409 25.905 ( 5.392 0.000 -9.154) 10.624 26.404 ( -2.274 0.000 -1.469) 2.707 26.605 ( -10.225 0.000 -5.729) 11.720 26.654 ( -5.130 0.000 -4.734) 6.981 26.720 ( 5.463 0.000 3.601) 6.543 27.027 ( 6.475 0.000 2.955) 7.118 27.136 ( 10.984 0.000 8.229) 13.725 27.447 ( -1.845 0.000 -5.751) 6.040 27.492 ( -6.995 0.000 -2.254) 7.349 27.493 ( -4.263 0.000 -2.189) 4.792 27.955 ( 2.905 0.000 5.439) 6.166 28.023 ( -2.759 0.000 -2.409) 3.662 28.301 ( -0.449 0.000 -1.277) 1.354 28.333 ( -0.921 0.000 -2.631) 2.788 28.521 ( 5.146 0.000 12.799) 13.795 28.761 ( -2.092 0.000 0.906) 2.280 28.841 ( -7.171 0.000 -6.778) 9.867 29.003 ( 2.744 0.000 3.977) 4.832 29.067 ( 0.392 0.000 -0.837) 0.924 29.361 ( -12.365 0.000 -11.090) 16.610 29.414 ( -5.903 0.000 -3.603) 6.916 29.485 ( 4.110 0.000 0.548) 4.147 29.741 ( -4.547 0.000 -2.707) 5.292 29.751 ( -2.463 0.000 -1.396) 2.831 30.255 ( -11.014 0.000 -14.877) 18.511 30.904 ( 8.295 0.000 8.099) 11.593 31.168 ( 1.184 0.000 -23.375) 23.405 31.193 ( 19.335 0.000 13.162) 23.390 31.417 ( 19.077 0.000 -28.945) 34.666 31.636 ( -2.942 0.000 -2.750) 4.027 31.674 ( 6.945 0.000 6.911) 9.798 31.966 ( -5.222 0.000 -3.398) 6.230 32.014 ( 4.053 0.000 7.543) 8.563 32.166 ( 5.355 0.000 1.965) 5.704 32.565 ( -3.920 0.000 -1.392) 4.160 32.741 ( -2.895 0.000 1.420) 3.225 32.863 ( 9.894 0.000 -7.697) 12.536 32.872 ( -1.510 0.000 -6.512) 6.685 32.928 ( -8.536 0.000 20.573) 22.273 33.330 ( -5.197 0.000 -2.546) 5.787 33.415 ( -8.938 0.000 11.248) 14.367 33.878 ( 12.935 0.000 12.805) 18.201 38.366 ( -1.753 0.000 1.864) 2.559 38.413 ( -10.272 0.000 7.916) 12.968 38.637 ( 0.513 0.000 -2.853) 2.898 38.772 ( -0.050 0.000 4.573) 4.573 39.271 ( 2.281 0.000 0.209) 2.290 39.546 ( -3.864 0.000 -6.006) 7.142 39.783 ( 4.113 0.000 -8.558) 9.495 39.820 ( 3.012 0.000 6.317) 6.999 41.072 ( 3.457 0.000 2.748) 4.417 41.203 ( -1.552 0.000 -0.241) 1.570 41.411 ( -0.685 0.000 -1.557) 1.701 42.287 ( 17.414 0.000 -25.017) 30.481 42.294 ( 2.118 0.000 1.172) 2.421 42.483 ( 9.388 0.000 -7.353) 11.925 42.994 ( -55.539 0.000 59.023) 81.045 43.648 ( -5.057 0.000 -0.066) 5.057 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 18.341 0.000 31.380) 36.347 1.544 ( 18.559 0.000 21.925) 28.725 2.258 ( -17.969 0.000 -23.631) 29.686 2.398 ( -0.321 0.000 5.894) 5.903 2.666 ( 23.260 0.000 29.784) 37.790 2.797 ( -14.351 0.000 -0.483) 14.359 3.048 ( -8.807 0.000 -8.349) 12.136 3.117 ( -3.937 0.000 -5.955) 7.139 3.192 ( 2.458 0.000 4.067) 4.752 3.264 ( 2.144 0.000 0.808) 2.291 3.284 ( -6.742 0.000 -3.220) 7.471 3.432 ( 11.909 0.000 6.299) 13.472 3.559 ( -3.226 0.000 -1.243) 3.457 3.674 ( -0.289 0.000 3.022) 3.036 3.893 ( -5.652 0.000 -1.788) 5.928 4.092 ( -6.380 0.000 1.223) 6.496 4.123 ( -3.795 0.000 5.663) 6.817 4.257 ( -1.603 0.000 -1.811) 2.419 4.325 ( 0.351 0.000 -4.080) 4.095 4.394 ( -1.569 0.000 0.920) 1.819 4.500 ( 9.357 0.000 -8.704) 12.780 4.615 ( -2.520 0.000 -3.286) 4.142 4.633 ( -2.900 0.000 2.007) 3.527 4.846 ( -7.016 0.000 -9.359) 11.697 4.934 ( 6.098 0.000 3.325) 6.945 5.198 ( -2.235 0.000 -8.786) 9.066 5.318 ( 0.996 0.000 -0.091) 1.000 5.333 ( 4.476 0.000 1.605) 4.755 5.489 ( 4.107 0.000 1.043) 4.237 5.552 ( -3.235 0.000 -3.088) 4.472 5.789 ( 3.175 0.000 10.420) 10.893 5.836 ( -1.880 0.000 5.923) 6.214 5.974 ( 8.921 0.000 -12.511) 15.366 6.211 ( 1.629 0.000 6.871) 7.061 6.255 ( -4.930 0.000 -1.548) 5.167 6.289 ( 0.385 0.000 5.811) 5.824 6.328 ( -6.101 0.000 -5.902) 8.488 6.517 ( 0.217 0.000 -11.763) 11.765 6.538 ( -8.291 0.000 -9.571) 12.662 6.688 ( -1.320 0.000 2.848) 3.139 6.710 ( 7.856 0.000 -1.838) 8.068 6.885 ( 7.958 0.000 8.609) 11.724 6.989 ( -5.370 0.000 -1.163) 5.495 7.000 ( -13.503 0.000 -9.703) 16.628 7.142 ( -1.394 0.000 5.708) 5.875 7.273 ( -5.248 0.000 5.847) 7.856 7.403 ( 1.296 0.000 5.621) 5.769 7.548 ( -6.772 0.000 -5.617) 8.798 7.705 ( -2.414 0.000 -4.825) 5.396 7.769 ( -3.015 0.000 2.649) 4.013 8.170 ( 0.100 0.000 1.105) 1.110 8.379 ( 1.816 0.000 1.581) 2.408 8.596 ( 1.900 0.000 -0.227) 1.914 8.651 ( 5.787 0.000 5.957) 8.306 8.799 ( 3.002 0.000 -11.086) 11.485 9.035 ( -2.618 0.000 -2.624) 3.707 9.050 ( -0.578 0.000 0.119) 0.591 9.282 ( 3.495 0.000 0.572) 3.542 9.443 ( 7.656 0.000 0.878) 7.706 9.493 ( 9.111 0.000 -5.280) 10.531 9.756 ( 1.029 0.000 1.002) 1.437 9.808 ( -1.707 0.000 1.902) 2.556 9.820 ( -0.820 0.000 0.707) 1.082 9.926 ( -1.431 0.000 2.377) 2.774 10.034 ( -3.169 0.000 1.871) 3.680 10.319 ( -11.554 0.000 -6.683) 13.347 10.480 ( -2.133 0.000 1.249) 2.472 10.663 ( 0.961 0.000 7.338) 7.401 10.878 ( 1.036 0.000 8.824) 8.884 10.913 ( 3.452 0.000 5.000) 6.076 11.074 ( -4.527 0.000 -1.578) 4.794 11.235 ( -3.260 0.000 -2.858) 4.335 11.325 ( 0.594 0.000 6.773) 6.799 11.354 ( -7.286 0.000 -4.606) 8.619 11.888 ( -2.078 0.000 -2.844) 3.523 11.938 ( 0.420 0.000 -0.072) 0.426 12.224 ( 1.428 0.000 -4.852) 5.058 12.354 ( -0.537 0.000 -4.081) 4.117 12.373 ( 3.310 0.000 4.174) 5.327 12.504 ( 4.167 0.000 -0.997) 4.285 12.702 ( -2.771 0.000 -1.786) 3.297 12.819 ( -2.103 0.000 1.879) 2.820 12.950 ( 4.256 0.000 1.626) 4.556 12.986 ( -0.704 0.000 0.891) 1.136 13.148 ( -5.158 0.000 4.550) 6.879 13.332 ( -9.060 0.000 -2.409) 9.375 13.663 ( 10.114 0.000 4.994) 11.280 13.724 ( 3.644 0.000 -3.274) 4.899 14.037 ( 5.982 0.000 5.716) 8.274 14.147 ( -5.209 0.000 -4.124) 6.644 14.513 ( 3.127 0.000 -0.385) 3.151 14.556 ( 1.005 0.000 -1.703) 1.978 14.843 ( -0.332 0.000 1.239) 1.282 15.097 ( 0.285 0.000 -0.677) 0.735 15.174 ( -0.718 0.000 -3.232) 3.311 15.216 ( -1.038 0.000 -8.684) 8.746 15.457 ( -6.887 0.000 -15.397) 16.867 15.521 ( 8.770 0.000 4.572) 9.891 15.623 ( -0.411 0.000 0.232) 0.472 15.999 ( -3.366 0.000 -1.859) 3.845 16.237 ( 5.300 0.000 10.135) 11.437 16.383 ( -6.495 0.000 -3.787) 7.518 16.575 ( 8.737 0.000 6.479) 10.877 16.654 ( -0.451 0.000 -3.188) 3.219 17.057 ( -7.996 0.000 -5.814) 9.886 17.184 ( 6.104 0.000 9.184) 11.028 17.350 ( 11.182 0.000 13.532) 17.554 17.385 ( -7.999 0.000 -6.248) 10.150 17.627 ( 0.972 0.000 -2.493) 2.676 17.708 ( 0.411 0.000 -2.279) 2.316 18.101 ( 2.465 0.000 3.704) 4.449 18.174 ( -0.257 0.000 0.777) 0.818 18.435 ( 8.005 0.000 1.502) 8.145 18.476 ( 0.278 0.000 -3.360) 3.371 18.801 ( -7.159 0.000 -6.240) 9.496 18.882 ( 4.957 0.000 5.592) 7.473 19.004 ( -6.731 0.000 -6.113) 9.093 19.016 ( 1.121 0.000 2.404) 2.653 19.374 ( 14.804 0.000 12.358) 19.284 19.431 ( -8.764 0.000 -9.930) 13.244 19.638 ( 3.918 0.000 8.089) 8.988 19.694 ( -10.694 0.000 -5.353) 11.959 19.883 ( -4.605 0.000 0.088) 4.606 19.924 ( -4.493 0.000 -4.849) 6.611 19.969 ( 2.543 0.000 5.045) 5.650 20.103 ( 4.173 0.000 9.095) 10.007 20.555 ( -17.271 0.000 -19.929) 26.371 20.585 ( 22.973 0.000 20.470) 30.770 20.720 ( -3.011 0.000 -4.756) 5.629 20.755 ( 0.954 0.000 -2.089) 2.296 21.767 ( 12.102 0.000 13.757) 18.323 21.807 ( -12.522 0.000 -12.395) 17.619 22.043 ( 3.079 0.000 4.244) 5.244 22.079 ( -4.573 0.000 -3.289) 5.634 22.158 ( 6.467 0.000 8.480) 10.664 22.207 ( -5.378 0.000 -3.775) 6.570 22.329 ( 3.762 0.000 1.860) 4.197 22.362 ( -3.816 0.000 -6.402) 7.453 22.818 ( 8.428 0.000 9.618) 12.788 22.952 ( -4.824 0.000 -4.756) 6.774 24.232 ( 18.235 0.000 15.844) 24.156 24.330 ( -14.478 0.000 -18.324) 23.354 25.390 ( 0.505 0.000 2.142) 2.201 25.397 ( -3.364 0.000 -3.148) 4.607 25.636 ( -8.797 0.000 -5.501) 10.375 25.678 ( 13.463 0.000 12.344) 18.265 25.852 ( -1.214 0.000 -3.890) 4.075 26.228 ( -5.738 0.000 -9.119) 10.774 26.439 ( -3.907 0.000 -1.340) 4.131 26.644 ( 3.105 0.000 3.022) 4.332 26.855 ( 6.037 0.000 1.612) 6.249 27.136 ( 2.067 0.000 -0.289) 2.087 27.309 ( -7.312 0.000 -4.869) 8.784 27.322 ( 2.646 0.000 -0.511) 2.695 27.395 ( 0.206 0.000 -4.348) 4.353 27.450 ( 4.905 0.000 5.254) 7.188 27.959 ( -2.677 0.000 -1.317) 2.984 28.065 ( 2.009 0.000 5.562) 5.914 28.275 ( -0.750 0.000 -4.166) 4.233 28.281 ( 0.053 0.000 -1.326) 1.327 28.659 ( -6.794 0.000 -5.386) 8.670 28.725 ( 4.630 0.000 5.963) 7.549 28.810 ( -17.797 0.000 -18.791) 25.881 28.878 ( 7.981 0.000 9.726) 12.581 29.087 ( 1.525 0.000 7.277) 7.435 29.121 ( -3.230 0.000 -1.366) 3.507 29.232 ( -9.063 0.000 -10.423) 13.813 29.574 ( 4.956 0.000 1.550) 5.192 29.658 ( -2.280 0.000 -2.351) 3.275 29.695 ( -2.569 0.000 0.273) 2.584 30.013 ( -3.442 0.000 -7.819) 8.543 30.837 ( -12.725 0.000 -14.193) 19.062 31.187 ( 11.501 0.000 12.644) 17.092 31.292 ( 6.256 0.000 -23.749) 24.559 31.489 ( -9.088 0.000 -2.853) 9.525 31.583 ( 14.914 0.000 8.500) 17.166 31.842 ( -5.200 0.000 -2.671) 5.846 31.877 ( 8.239 0.000 6.379) 10.420 32.195 ( 3.943 0.000 10.040) 10.787 32.271 ( 3.865 0.000 1.460) 4.131 32.507 ( -1.289 0.000 -0.366) 1.340 32.683 ( -6.782 0.000 -1.587) 6.965 32.755 ( -0.829 0.000 -6.502) 6.554 32.911 ( 9.110 0.000 -6.988) 11.481 33.081 ( -2.515 0.000 15.767) 15.966 33.264 ( -1.893 0.000 -0.014) 1.893 33.422 ( -3.095 0.000 3.477) 4.655 34.287 ( 16.594 0.000 16.962) 23.729 38.360 ( -4.158 0.000 0.638) 4.206 38.363 ( -3.350 0.000 3.643) 4.949 38.594 ( 0.879 0.000 -5.521) 5.591 38.835 ( 0.129 0.000 4.943) 4.944 39.320 ( 3.817 0.000 0.346) 3.832 39.438 ( -2.706 0.000 -3.443) 4.379 39.722 ( -1.207 0.000 -4.160) 4.332 39.928 ( 2.133 0.000 4.996) 5.432 41.164 ( -2.894 0.000 -0.830) 3.011 41.177 ( 4.606 0.000 4.008) 6.106 41.371 ( -1.221 0.000 -2.492) 2.775 42.215 ( 4.909 0.000 -11.978) 12.944 42.357 ( 3.489 0.000 2.104) 4.074 42.535 ( 12.466 0.000 -9.759) 15.831 42.906 ( -32.420 0.000 29.176) 43.615 43.541 ( -8.538 0.000 -0.964) 8.592 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -29.889 0.000 -30.092) 42.413 1.980 ( 15.042 0.000 22.751) 27.274 2.255 ( 18.985 0.000 4.051) 19.413 2.429 ( -1.411 0.000 1.154) 1.823 2.623 ( -13.697 0.000 8.157) 15.942 2.816 ( -9.758 0.000 -7.399) 12.246 2.958 ( -5.380 0.000 -6.273) 8.264 3.016 ( 0.528 0.000 6.329) 6.351 3.170 ( 0.336 0.000 1.873) 1.903 3.285 ( 2.240 0.000 -3.138) 3.856 3.311 ( 1.471 0.000 4.842) 5.061 3.535 ( -1.293 0.000 3.003) 3.269 3.620 ( 0.538 0.000 -1.456) 1.552 3.670 ( -4.255 0.000 -0.760) 4.323 3.874 ( 3.385 0.000 -1.796) 3.832 4.038 ( -3.617 0.000 -6.419) 7.368 4.102 ( 3.823 0.000 5.497) 6.696 4.270 ( -4.136 0.000 4.000) 5.754 4.347 ( 0.958 0.000 4.113) 4.223 4.382 ( -0.408 0.000 6.074) 6.088 4.479 ( 4.080 0.000 -8.565) 9.487 4.550 ( -3.224 0.000 -0.506) 3.263 4.597 ( -6.525 0.000 -9.395) 11.438 4.688 ( 0.038 0.000 4.578) 4.578 5.052 ( -1.313 0.000 -7.547) 7.660 5.159 ( 10.265 0.000 10.981) 15.032 5.326 ( 0.393 0.000 -0.318) 0.505 5.421 ( 6.399 0.000 -1.086) 6.491 5.425 ( -5.993 0.000 -3.501) 6.941 5.603 ( 8.778 0.000 3.310) 9.381 5.885 ( -7.609 0.000 9.107) 11.867 5.947 ( 3.966 0.000 6.904) 7.962 6.029 ( 12.081 0.000 -6.953) 13.939 6.120 ( 3.840 0.000 -13.981) 14.499 6.257 ( -1.794 0.000 2.085) 2.751 6.308 ( -1.210 0.000 -0.873) 1.492 6.323 ( -1.084 0.000 3.791) 3.943 6.334 ( -1.674 0.000 -4.371) 4.680 6.462 ( 2.321 0.000 -6.450) 6.855 6.545 ( -18.286 0.000 -2.876) 18.511 6.752 ( 0.130 0.000 -1.140) 1.147 6.790 ( -11.990 0.000 -4.317) 12.743 6.856 ( 6.160 0.000 2.246) 6.557 7.048 ( -0.668 0.000 4.984) 5.029 7.115 ( -4.213 0.000 -0.272) 4.222 7.285 ( -0.198 0.000 2.097) 2.106 7.403 ( -4.245 0.000 -3.152) 5.287 7.600 ( 0.283 0.000 -5.531) 5.538 7.657 ( 2.833 0.000 7.127) 7.669 7.734 ( 5.793 0.000 4.916) 7.598 8.218 ( -0.585 0.000 4.740) 4.776 8.334 ( -6.698 0.000 -4.611) 8.132 8.542 ( 0.566 0.000 -5.129) 5.161 8.780 ( 2.633 0.000 -3.290) 4.214 8.857 ( 8.546 0.000 7.839) 11.597 8.997 ( -0.883 0.000 0.949) 1.296 9.079 ( 1.737 0.000 3.379) 3.800 9.374 ( 7.644 0.000 0.976) 7.706 9.487 ( 2.157 0.000 -7.765) 8.059 9.495 ( 3.376 0.000 -7.790) 8.490 9.657 ( -8.100 0.000 -3.052) 8.656 9.785 ( -3.639 0.000 -1.146) 3.815 9.789 ( -3.500 0.000 2.100) 4.082 9.964 ( -0.492 0.000 4.000) 4.030 10.084 ( 0.519 0.000 6.666) 6.686 10.086 ( -7.044 0.000 -5.537) 8.959 10.473 ( -0.387 0.000 0.707) 0.806 10.821 ( 6.169 0.000 8.033) 10.128 10.982 ( 0.183 0.000 3.702) 3.707 11.001 ( 2.963 0.000 0.688) 3.042 11.033 ( -0.584 0.000 1.020) 1.175 11.139 ( -4.381 0.000 -0.855) 4.463 11.208 ( -5.591 0.000 -2.293) 6.043 11.460 ( 2.919 0.000 8.038) 8.551 11.775 ( -4.840 0.000 -6.884) 8.415 11.928 ( -0.139 0.000 -1.211) 1.219 12.193 ( 1.632 0.000 -3.062) 3.470 12.288 ( -1.014 0.000 -4.444) 4.558 12.469 ( 3.267 0.000 3.892) 5.082 12.535 ( 1.565 0.000 -0.546) 1.657 12.645 ( -1.397 0.000 -3.375) 3.653 12.795 ( -3.252 0.000 1.313) 3.507 12.997 ( -0.128 0.000 2.467) 2.470 13.027 ( 3.843 0.000 0.762) 3.918 13.138 ( -3.188 0.000 3.072) 4.427 13.180 ( -6.633 0.000 -3.107) 7.325 13.699 ( 0.155 0.000 -3.601) 3.605 13.839 ( 5.138 0.000 3.860) 6.426 14.061 ( -0.964 0.000 -1.697) 1.952 14.251 ( 9.431 0.000 10.235) 13.917 14.552 ( 0.548 0.000 -0.122) 0.561 14.562 ( 3.038 0.000 -0.462) 3.073 14.871 ( -0.077 0.000 2.694) 2.695 15.046 ( -6.658 0.000 -10.851) 12.731 15.105 ( -1.669 0.000 -4.970) 5.242 15.110 ( 0.473 0.000 -7.413) 7.428 15.174 ( -4.458 0.000 -2.706) 5.215 15.598 ( 2.029 0.000 -3.138) 3.737 15.607 ( -0.527 0.000 -0.664) 0.848 15.894 ( -5.287 0.000 -2.897) 6.029 16.347 ( 0.786 0.000 3.102) 3.200 16.480 ( 7.402 0.000 10.903) 13.178 16.656 ( 0.513 0.000 0.195) 0.549 16.850 ( 11.092 0.000 9.850) 14.834 16.902 ( -2.115 0.000 -3.473) 4.066 17.229 ( -6.103 0.000 -2.607) 6.637 17.301 ( 0.963 0.000 1.554) 1.828 17.587 ( 0.412 0.000 -3.394) 3.419 17.722 ( 13.924 0.000 15.079) 20.525 17.751 ( 3.677 0.000 1.572) 3.998 18.109 ( -3.127 0.000 -1.597) 3.511 18.293 ( 7.453 0.000 8.272) 11.135 18.447 ( 0.591 0.000 -0.386) 0.706 18.564 ( 6.969 0.000 1.842) 7.208 18.640 ( -4.616 0.000 -5.364) 7.077 18.843 ( -10.200 0.000 -7.587) 12.712 18.956 ( -2.071 0.000 -1.797) 2.742 19.120 ( 4.453 0.000 4.838) 6.576 19.148 ( -2.530 0.000 -4.784) 5.412 19.404 ( -15.308 0.000 -8.330) 17.427 19.552 ( 2.078 0.000 1.922) 2.831 19.694 ( -16.806 0.000 -14.535) 22.219 19.872 ( 8.423 0.000 7.973) 11.598 19.876 ( 1.009 0.000 1.711) 1.986 20.067 ( 2.804 0.000 4.982) 5.717 20.079 ( -8.597 0.000 -11.537) 14.388 20.231 ( 1.361 0.000 7.377) 7.501 20.586 ( -3.823 0.000 -8.176) 9.026 20.699 ( 0.704 0.000 -1.262) 1.445 21.182 ( 14.453 0.000 13.858) 20.023 21.457 ( -11.309 0.000 -9.134) 14.537 21.975 ( 3.860 0.000 2.920) 4.840 21.995 ( -2.366 0.000 -1.771) 2.955 22.102 ( 0.740 0.000 1.833) 1.977 22.169 ( -0.604 0.000 1.750) 1.852 22.264 ( -1.231 0.000 -4.465) 4.631 22.448 ( 5.860 0.000 4.007) 7.099 22.548 ( 17.772 0.000 19.940) 26.710 22.902 ( -0.127 0.000 -0.836) 0.846 23.238 ( 20.993 0.000 24.968) 32.620 23.811 ( -19.517 0.000 -24.041) 30.966 24.632 ( 12.490 0.000 11.355) 16.880 25.061 ( -24.687 0.000 -23.634) 34.176 25.401 ( -0.402 0.000 0.572) 0.699 25.440 ( -2.753 0.000 -1.469) 3.120 25.723 ( -2.176 0.000 -7.800) 8.098 25.893 ( 0.432 0.000 3.882) 3.905 26.164 ( 3.089 0.000 -1.179) 3.306 26.505 ( 4.092 0.000 8.945) 9.836 26.743 ( 2.706 0.000 4.472) 5.227 26.880 ( 0.496 0.000 -5.011) 5.036 27.005 ( -5.734 0.000 -8.056) 9.888 27.212 ( -3.252 0.000 -0.852) 3.361 27.341 ( 2.367 0.000 0.484) 2.416 27.371 ( -1.717 0.000 -3.377) 3.788 27.613 ( 4.979 0.000 4.447) 6.676 27.907 ( -1.166 0.000 -1.309) 1.752 28.138 ( 0.152 0.000 3.752) 3.755 28.219 ( 0.405 0.000 -4.181) 4.200 28.271 ( 0.409 0.000 -0.605) 0.730 28.353 ( -10.106 0.000 -10.034) 14.241 28.614 ( -1.108 0.000 0.319) 1.153 28.896 ( 5.645 0.000 8.823) 10.474 28.960 ( -7.629 0.000 -10.523) 12.998 28.991 ( 1.089 0.000 0.010) 1.089 29.052 ( -2.436 0.000 -3.666) 4.402 29.322 ( 8.953 0.000 11.993) 14.967 29.605 ( 2.034 0.000 -1.920) 2.797 29.616 ( -0.684 0.000 -1.065) 1.266 29.745 ( 0.742 0.000 7.025) 7.064 29.919 ( -1.453 0.000 -2.791) 3.147 30.489 ( -11.673 0.000 -11.409) 16.323 31.015 ( -5.605 0.000 -16.922) 17.826 31.356 ( -3.703 0.000 -3.722) 5.250 31.505 ( 9.601 0.000 11.732) 15.159 31.767 ( -2.880 0.000 -0.109) 2.882 31.831 ( 9.784 0.000 3.530) 10.402 32.038 ( 3.854 0.000 3.804) 5.415 32.290 ( 0.477 0.000 -1.795) 1.857 32.303 ( -2.261 0.000 2.052) 3.053 32.530 ( 1.348 0.000 2.166) 2.551 32.560 ( -1.811 0.000 -2.800) 3.334 32.690 ( -2.352 0.000 -1.546) 2.815 32.944 ( 4.906 0.000 -4.042) 6.357 33.232 ( -0.124 0.000 11.015) 11.016 33.263 ( 0.328 0.000 0.910) 0.967 33.405 ( -1.310 0.000 -1.406) 1.922 34.713 ( 13.171 0.000 13.182) 18.634 38.317 ( -1.723 0.000 -0.432) 1.776 38.364 ( -3.392 0.000 4.324) 5.496 38.534 ( 1.048 0.000 -5.779) 5.873 38.888 ( 0.110 0.000 3.002) 3.004 39.382 ( 3.721 0.000 0.469) 3.751 39.383 ( -1.144 0.000 -1.097) 1.585 39.654 ( -2.433 0.000 -2.185) 3.270 40.004 ( 1.358 0.000 3.089) 3.375 41.104 ( -3.006 0.000 -1.289) 3.270 41.283 ( 3.198 0.000 3.096) 4.451 41.325 ( -0.955 0.000 -1.911) 2.136 42.142 ( 1.311 0.000 -6.410) 6.543 42.436 ( 3.198 0.000 2.100) 3.826 42.599 ( 14.699 0.000 -11.392) 18.596 42.798 ( -23.745 0.000 19.016) 30.421 43.400 ( -7.503 0.000 -1.700) 7.693 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 0.000 0.000) 0.000 2.339 ( -0.000 0.000 -0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 -0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.193 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 -0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 -0.000) 0.000 4.430 ( 0.000 0.000 0.000) 0.000 4.446 ( 0.000 0.000 -0.000) 0.000 4.517 ( 0.000 0.000 -0.000) 0.000 4.523 ( -0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 -0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.867 ( 0.000 0.000 -0.000) 0.000 6.014 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 -0.000) 0.000 6.100 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 -0.000) 0.000 6.302 ( -0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.437 ( -0.000 0.000 -0.000) 0.000 6.648 ( 0.000 0.000 -0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.063 ( -0.000 0.000 -0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 -0.000) 0.000 7.331 ( 0.000 0.000 0.000) 0.000 7.595 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 8.037 ( -0.000 0.000 -0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.243 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.974 ( -0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.138 ( 0.000 0.000 0.000) 0.000 9.402 ( -0.000 0.000 0.000) 0.000 9.431 ( -0.000 0.000 0.000) 0.000 9.465 ( 0.000 0.000 -0.000) 0.000 9.601 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.932 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.139 ( 0.000 0.000 0.000) 0.000 10.478 ( 0.000 0.000 0.000) 0.000 10.956 ( 0.000 0.000 -0.000) 0.000 10.979 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.051 ( 0.000 0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.161 ( 0.000 0.000 -0.000) 0.000 11.594 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 -0.000) 0.000 11.918 ( 0.000 0.000 0.000) 0.000 12.200 ( 0.000 0.000 0.000) 0.000 12.235 ( 0.000 0.000 0.000) 0.000 12.540 ( 0.000 0.000 0.000) 0.000 12.554 ( -0.000 0.000 -0.000) 0.000 12.579 ( 0.000 0.000 0.000) 0.000 12.777 ( 0.000 0.000 0.000) 0.000 13.035 ( 0.000 0.000 0.000) 0.000 13.063 ( 0.000 0.000 0.000) 0.000 13.088 ( 0.000 0.000 0.000) 0.000 13.132 ( 0.000 0.000 -0.000) 0.000 13.673 ( 0.000 0.000 0.000) 0.000 13.891 ( 0.000 0.000 0.000) 0.000 14.060 ( 0.000 0.000 0.000) 0.000 14.512 ( 0.000 0.000 0.000) 0.000 14.519 ( -0.000 0.000 -0.000) 0.000 14.560 ( 0.000 0.000 -0.000) 0.000 14.814 ( 0.000 0.000 0.000) 0.000 14.892 ( 0.000 0.000 0.000) 0.000 15.060 ( 0.000 0.000 0.000) 0.000 15.083 ( 0.000 0.000 0.000) 0.000 15.149 ( 0.000 0.000 0.000) 0.000 15.580 ( 0.000 0.000 0.000) 0.000 15.599 ( 0.000 0.000 0.000) 0.000 15.829 ( 0.000 0.000 0.000) 0.000 16.389 ( 0.000 0.000 0.000) 0.000 16.629 ( 0.000 0.000 0.000) 0.000 16.653 ( 0.000 0.000 0.000) 0.000 16.889 ( 0.000 0.000 0.000) 0.000 16.999 ( 0.000 0.000 0.000) 0.000 17.158 ( 0.000 0.000 0.000) 0.000 17.304 ( 0.000 0.000 0.000) 0.000 17.563 ( 0.000 0.000 0.000) 0.000 17.801 ( 0.000 0.000 -0.000) 0.000 18.056 ( 0.000 0.000 0.000) 0.000 18.128 ( 0.000 0.000 0.000) 0.000 18.241 ( -0.000 0.000 -0.000) 0.000 18.456 ( 0.000 0.000 0.000) 0.000 18.565 ( 0.000 0.000 0.000) 0.000 18.566 ( 0.000 0.000 -0.000) 0.000 18.897 ( -0.000 0.000 -0.000) 0.000 18.901 ( 0.000 0.000 0.000) 0.000 19.002 ( 0.000 0.000 0.000) 0.000 19.193 ( 0.000 0.000 0.000) 0.000 19.302 ( 0.000 0.000 -0.000) 0.000 19.327 ( 0.000 0.000 0.000) 0.000 19.574 ( 0.000 0.000 0.000) 0.000 19.930 ( -0.000 0.000 -0.000) 0.000 19.943 ( 0.000 0.000 0.000) 0.000 19.975 ( 0.000 0.000 0.000) 0.000 20.135 ( 0.000 0.000 0.000) 0.000 20.348 ( 0.000 0.000 -0.000) 0.000 20.441 ( 0.000 0.000 0.000) 0.000 20.696 ( 0.000 0.000 0.000) 0.000 21.317 ( 0.000 0.000 0.000) 0.000 21.367 ( 0.000 0.000 -0.000) 0.000 21.967 ( 0.000 0.000 0.000) 0.000 22.014 ( 0.000 0.000 0.000) 0.000 22.119 ( 0.000 0.000 0.000) 0.000 22.195 ( 0.000 0.000 0.000) 0.000 22.211 ( 0.000 0.000 -0.000) 0.000 22.523 ( 0.000 0.000 0.000) 0.000 22.897 ( 0.000 0.000 0.000) 0.000 23.012 ( 0.000 0.000 -0.000) 0.000 23.290 ( 0.000 0.000 0.000) 0.000 23.785 ( 0.000 0.000 0.000) 0.000 24.512 ( 0.000 0.000 0.000) 0.000 24.812 ( 0.000 0.000 0.000) 0.000 25.400 ( 0.000 0.000 0.000) 0.000 25.422 ( 0.000 0.000 0.000) 0.000 25.636 ( 0.000 0.000 0.000) 0.000 25.910 ( 0.000 0.000 -0.000) 0.000 26.193 ( 0.000 0.000 0.000) 0.000 26.637 ( 0.000 0.000 0.000) 0.000 26.794 ( 0.000 0.000 -0.000) 0.000 26.814 ( 0.000 0.000 -0.000) 0.000 26.908 ( 0.000 0.000 0.000) 0.000 27.181 ( 0.000 0.000 -0.000) 0.000 27.291 ( 0.000 0.000 0.000) 0.000 27.369 ( 0.000 0.000 0.000) 0.000 27.677 ( 0.000 0.000 0.000) 0.000 27.904 ( 0.000 0.000 0.000) 0.000 28.168 ( 0.000 0.000 -0.000) 0.000 28.188 ( 0.000 0.000 0.000) 0.000 28.229 ( 0.000 0.000 0.000) 0.000 28.277 ( 0.000 0.000 0.000) 0.000 28.621 ( 0.000 0.000 0.000) 0.000 28.824 ( 0.000 0.000 0.000) 0.000 28.992 ( 0.000 0.000 0.000) 0.000 28.999 ( 0.000 0.000 0.000) 0.000 29.016 ( 0.000 0.000 0.000) 0.000 29.473 ( 0.000 0.000 0.000) 0.000 29.606 ( 0.000 0.000 0.000) 0.000 29.623 ( 0.000 0.000 0.000) 0.000 29.814 ( 0.000 0.000 0.000) 0.000 29.891 ( 0.000 0.000 0.000) 0.000 30.305 ( 0.000 0.000 0.000) 0.000 30.840 ( 0.000 0.000 -0.000) 0.000 31.302 ( 0.000 0.000 0.000) 0.000 31.670 ( 0.000 0.000 -0.000) 0.000 31.747 ( 0.000 0.000 0.000) 0.000 31.960 ( 0.000 0.000 0.000) 0.000 32.051 ( 0.000 0.000 0.000) 0.000 32.261 ( 0.000 0.000 0.000) 0.000 32.279 ( 0.000 0.000 0.000) 0.000 32.557 ( 0.000 0.000 0.000) 0.000 32.558 ( 0.000 0.000 0.000) 0.000 32.655 ( 0.000 0.000 0.000) 0.000 32.954 ( 0.000 0.000 0.000) 0.000 33.275 ( 0.000 0.000 0.000) 0.000 33.340 ( 0.000 0.000 0.000) 0.000 33.349 ( 0.000 0.000 -0.000) 0.000 34.905 ( 0.000 0.000 0.000) 0.000 38.302 ( 0.000 0.000 0.000) 0.000 38.369 ( 0.000 0.000 -0.000) 0.000 38.500 ( 0.000 0.000 0.000) 0.000 38.908 ( 0.000 0.000 0.000) 0.000 39.369 ( 0.000 0.000 0.000) 0.000 39.419 ( -0.000 0.000 0.000) 0.000 39.617 ( 0.000 0.000 0.000) 0.000 40.035 ( 0.000 0.000 0.000) 0.000 41.069 ( 0.000 0.000 0.000) 0.000 41.305 ( 0.000 0.000 0.000) 0.000 41.328 ( 0.000 0.000 0.000) 0.000 42.109 ( 0.000 0.000 0.000) 0.000 42.477 ( 0.000 0.000 0.000) 0.000 42.657 ( 0.000 0.000 -0.000) 0.000 42.722 ( -0.000 0.000 0.000) 0.000 43.326 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.000 41.215 0.000) 41.215 0.845 ( 0.000 42.233 0.000) 42.233 1.381 ( 0.000 68.678 0.000) 68.678 2.473 ( 0.000 6.693 0.000) 6.693 2.842 ( 0.000 1.814 0.000) 1.814 2.900 ( 0.000 -1.101 0.000) 1.101 3.047 ( 0.000 1.465 0.000) 1.465 3.121 ( 0.000 -0.400 0.000) 0.400 3.190 ( 0.000 -3.747 0.000) 3.747 3.438 ( 0.000 0.351 0.000) 0.351 3.463 ( 0.000 -0.798 0.000) 0.798 3.575 ( 0.000 -1.338 0.000) 1.338 3.597 ( 0.000 -0.521 0.000) 0.521 3.801 ( 0.000 -0.246 0.000) 0.246 3.947 ( 0.000 -1.236 0.000) 1.236 4.036 ( 0.000 -2.376 0.000) 2.376 4.125 ( 0.000 -8.425 0.000) 8.425 4.155 ( 0.000 5.211 0.000) 5.211 4.390 ( 0.000 3.555 0.000) 3.555 4.412 ( 0.000 -1.199 0.000) 1.199 4.573 ( 0.000 -8.243 0.000) 8.243 4.695 ( 0.000 -11.961 0.000) 11.961 4.790 ( 0.000 0.139 0.000) 0.139 4.790 ( 0.000 4.354 0.000) 4.354 5.051 ( 0.000 -3.972 0.000) 3.972 5.179 ( 0.000 5.283 0.000) 5.283 5.231 ( 0.000 3.007 0.000) 3.007 5.311 ( 0.000 4.209 0.000) 4.209 5.332 ( 0.000 1.995 0.000) 1.995 5.439 ( 0.000 11.752 0.000) 11.752 5.616 ( 0.000 -0.306 0.000) 0.306 5.918 ( 0.000 6.347 0.000) 6.347 5.939 ( 0.000 -6.400 0.000) 6.400 6.008 ( 0.000 1.766 0.000) 1.766 6.036 ( 0.000 9.554 0.000) 9.554 6.239 ( 0.000 0.869 0.000) 0.869 6.345 ( 0.000 -2.156 0.000) 2.156 6.508 ( 0.000 -14.452 0.000) 14.452 6.635 ( 0.000 4.018 0.000) 4.018 6.778 ( 0.000 -10.740 0.000) 10.740 6.893 ( 0.000 -2.830 0.000) 2.830 6.947 ( 0.000 -2.573 0.000) 2.573 7.107 ( 0.000 6.847 0.000) 6.847 7.146 ( 0.000 -9.641 0.000) 9.641 7.256 ( 0.000 -4.304 0.000) 4.304 7.391 ( 0.000 -15.810 0.000) 15.810 7.548 ( 0.000 0.399 0.000) 0.399 7.561 ( 0.000 4.148 0.000) 4.148 7.572 ( 0.000 1.902 0.000) 1.902 7.993 ( 0.000 -0.006 0.000) 0.006 8.045 ( 0.000 -5.564 0.000) 5.564 8.347 ( 0.000 -2.510 0.000) 2.510 8.470 ( 0.000 1.962 0.000) 1.962 8.737 ( 0.000 -11.083 0.000) 11.083 8.892 ( 0.000 2.397 0.000) 2.397 9.115 ( 0.000 1.240 0.000) 1.240 9.120 ( 0.000 4.170 0.000) 4.170 9.252 ( 0.000 -4.889 0.000) 4.889 9.304 ( 0.000 3.143 0.000) 3.143 9.488 ( 0.000 -2.457 0.000) 2.457 9.629 ( 0.000 -3.919 0.000) 3.919 9.723 ( 0.000 -4.125 0.000) 4.125 9.784 ( 0.000 -0.997 0.000) 0.997 9.922 ( 0.000 14.065 0.000) 14.065 10.095 ( 0.000 2.615 0.000) 2.615 10.460 ( 0.000 -2.994 0.000) 2.994 10.500 ( 0.000 -6.207 0.000) 6.207 10.578 ( 0.000 -3.028 0.000) 3.028 10.765 ( 0.000 0.944 0.000) 0.944 10.905 ( 0.000 6.214 0.000) 6.214 11.144 ( 0.000 -6.286 0.000) 6.286 11.206 ( 0.000 -3.691 0.000) 3.691 11.404 ( 0.000 -0.241 0.000) 0.241 11.580 ( 0.000 -0.345 0.000) 0.345 11.904 ( 0.000 0.782 0.000) 0.782 11.998 ( 0.000 11.838 0.000) 11.838 12.139 ( 0.000 -3.772 0.000) 3.772 12.253 ( 0.000 -6.764 0.000) 6.764 12.360 ( 0.000 4.851 0.000) 4.851 12.583 ( 0.000 7.353 0.000) 7.353 12.695 ( 0.000 -4.024 0.000) 4.024 12.900 ( 0.000 -0.268 0.000) 0.268 12.946 ( 0.000 4.871 0.000) 4.871 13.040 ( 0.000 7.302 0.000) 7.302 13.248 ( 0.000 -1.839 0.000) 1.839 13.276 ( 0.000 -2.009 0.000) 2.009 13.529 ( 0.000 -2.059 0.000) 2.059 13.611 ( 0.000 4.806 0.000) 4.806 13.793 ( 0.000 3.505 0.000) 3.505 14.359 ( 0.000 -10.212 0.000) 10.212 14.422 ( 0.000 4.549 0.000) 4.549 14.635 ( 0.000 4.702 0.000) 4.702 14.931 ( 0.000 -0.600 0.000) 0.600 15.047 ( 0.000 -4.101 0.000) 4.101 15.119 ( 0.000 5.169 0.000) 5.169 15.226 ( 0.000 -1.797 0.000) 1.797 15.365 ( 0.000 -2.870 0.000) 2.870 15.602 ( 0.000 4.971 0.000) 4.971 15.614 ( 0.000 -1.171 0.000) 1.171 16.007 ( 0.000 -0.502 0.000) 0.502 16.207 ( 0.000 2.278 0.000) 2.278 16.531 ( 0.000 -11.019 0.000) 11.019 16.579 ( 0.000 -0.054 0.000) 0.054 16.699 ( 0.000 -3.217 0.000) 3.217 16.874 ( 0.000 8.322 0.000) 8.322 17.056 ( 0.000 6.866 0.000) 6.866 17.527 ( 0.000 -9.067 0.000) 9.067 17.581 ( 0.000 1.098 0.000) 1.098 17.729 ( 0.000 5.363 0.000) 5.363 17.980 ( 0.000 -0.391 0.000) 0.391 18.100 ( 0.000 -2.778 0.000) 2.778 18.199 ( 0.000 -2.211 0.000) 2.211 18.363 ( 0.000 -2.300 0.000) 2.300 18.567 ( 0.000 5.758 0.000) 5.758 18.593 ( 0.000 0.169 0.000) 0.169 18.787 ( 0.000 4.426 0.000) 4.426 18.925 ( 0.000 -12.281 0.000) 12.281 19.056 ( 0.000 1.632 0.000) 1.632 19.279 ( 0.000 -0.996 0.000) 0.996 19.310 ( 0.000 -1.956 0.000) 1.956 19.401 ( 0.000 0.237 0.000) 0.237 19.581 ( 0.000 0.870 0.000) 0.870 19.786 ( 0.000 1.363 0.000) 1.363 19.910 ( 0.000 -0.050 0.000) 0.050 19.931 ( 0.000 3.140 0.000) 3.140 20.091 ( 0.000 3.370 0.000) 3.370 20.362 ( 0.000 9.815 0.000) 9.815 20.578 ( 0.000 -4.476 0.000) 4.476 20.803 ( 0.000 -7.302 0.000) 7.302 21.306 ( 0.000 -1.414 0.000) 1.414 21.423 ( 0.000 9.056 0.000) 9.056 21.914 ( 0.000 -1.028 0.000) 1.028 21.985 ( 0.000 2.920 0.000) 2.920 22.010 ( 0.000 -3.895 0.000) 3.895 22.189 ( 0.000 -2.513 0.000) 2.513 22.294 ( 0.000 1.158 0.000) 1.158 22.385 ( 0.000 -0.433 0.000) 0.433 22.550 ( 0.000 -7.134 0.000) 7.134 22.975 ( 0.000 2.611 0.000) 2.611 23.451 ( 0.000 12.031 0.000) 12.031 23.595 ( 0.000 -11.991 0.000) 11.991 24.625 ( 0.000 -0.601 0.000) 0.601 24.938 ( 0.000 9.421 0.000) 9.421 25.425 ( 0.000 0.245 0.000) 0.245 25.499 ( 0.000 -0.782 0.000) 0.782 25.661 ( 0.000 2.341 0.000) 2.341 25.823 ( 0.000 -5.293 0.000) 5.293 26.339 ( 0.000 -7.529 0.000) 7.529 26.650 ( 0.000 0.851 0.000) 0.851 26.700 ( 0.000 -5.350 0.000) 5.350 26.891 ( 0.000 -0.753 0.000) 0.753 27.007 ( 0.000 4.372 0.000) 4.372 27.208 ( 0.000 -7.606 0.000) 7.606 27.457 ( 0.000 -5.690 0.000) 5.690 27.571 ( 0.000 3.883 0.000) 3.883 27.656 ( 0.000 2.892 0.000) 2.892 27.863 ( 0.000 -2.114 0.000) 2.114 28.019 ( 0.000 -0.094 0.000) 0.094 28.317 ( 0.000 1.190 0.000) 1.190 28.328 ( 0.000 -2.930 0.000) 2.930 28.380 ( 0.000 -3.720 0.000) 3.720 28.498 ( 0.000 5.936 0.000) 5.936 28.818 ( 0.000 2.179 0.000) 2.179 28.862 ( 0.000 -2.713 0.000) 2.713 29.060 ( 0.000 5.039 0.000) 5.039 29.151 ( 0.000 -1.905 0.000) 1.905 29.449 ( 0.000 1.369 0.000) 1.369 29.547 ( 0.000 6.248 0.000) 6.248 29.755 ( 0.000 -1.752 0.000) 1.752 29.775 ( 0.000 -0.305 0.000) 0.305 30.530 ( 0.000 -1.072 0.000) 1.072 30.592 ( 0.000 -1.551 0.000) 1.551 30.838 ( 0.000 -0.989 0.000) 0.989 30.843 ( 0.000 -1.969 0.000) 1.969 31.425 ( 0.000 -5.573 0.000) 5.573 31.557 ( 0.000 -6.011 0.000) 6.011 31.688 ( 0.000 6.137 0.000) 6.137 31.917 ( 0.000 0.803 0.000) 0.803 32.130 ( 0.000 7.075 0.000) 7.075 32.139 ( 0.000 1.692 0.000) 1.692 32.601 ( 0.000 -1.247 0.000) 1.247 32.660 ( 0.000 -7.168 0.000) 7.168 32.802 ( 0.000 -2.806 0.000) 2.806 32.865 ( 0.000 0.773 0.000) 0.773 33.313 ( 0.000 1.214 0.000) 1.214 33.394 ( 0.000 1.424 0.000) 1.424 33.521 ( 0.000 7.879 0.000) 7.879 34.087 ( 0.000 -1.014 0.000) 1.014 38.243 ( 0.000 4.896 0.000) 4.896 38.626 ( 0.000 -2.042 0.000) 2.042 38.665 ( 0.000 -6.994 0.000) 6.994 39.214 ( 0.000 -4.071 0.000) 4.071 39.626 ( 0.000 6.180 0.000) 6.180 39.684 ( 0.000 0.821 0.000) 0.821 39.796 ( 0.000 5.629 0.000) 5.629 40.036 ( 0.000 -3.326 0.000) 3.326 40.945 ( 0.000 -4.130 0.000) 4.130 41.004 ( 0.000 -2.322 0.000) 2.322 41.485 ( 0.000 5.563 0.000) 5.563 41.784 ( 0.000 2.012 0.000) 2.012 42.274 ( 0.000 0.365 0.000) 0.365 42.441 ( 0.000 -1.690 0.000) 1.690 42.481 ( 0.000 5.232 0.000) 5.232 43.627 ( 0.000 -8.669 0.000) 8.669 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 11.354 30.523 21.300) 38.914 1.165 ( 24.114 28.268 16.747) 40.755 1.955 ( 31.701 37.845 35.234) 60.652 2.486 ( -1.871 8.933 4.460) 10.158 2.679 ( -9.400 1.456 -7.686) 12.230 2.950 ( -2.936 -2.300 -0.728) 3.800 3.069 ( 3.615 -0.681 1.126) 3.847 3.154 ( 0.919 -2.317 -1.602) 2.963 3.176 ( -0.882 -0.432 0.163) 0.996 3.366 ( -2.609 3.794 1.683) 4.902 3.418 ( -7.092 3.556 -2.844) 8.428 3.477 ( -5.737 -3.564 -4.792) 8.281 3.557 ( -3.843 0.917 0.629) 4.001 3.714 ( -7.058 -0.361 -2.827) 7.612 3.951 ( -4.490 -4.346 -1.607) 6.453 4.008 ( -4.878 -3.578 1.321) 6.192 4.189 ( -0.969 2.391 4.746) 5.402 4.248 ( 8.768 -5.605 1.961) 10.590 4.319 ( -2.918 -2.196 -5.870) 6.913 4.447 ( 6.168 0.355 -3.134) 6.928 4.472 ( -9.339 -4.634 -9.853) 14.345 4.711 ( 0.844 -7.520 3.453) 8.318 4.732 ( -1.726 -5.015 4.773) 7.135 4.804 ( -0.793 7.775 -5.708) 9.678 4.987 ( -1.399 -1.444 -0.991) 2.241 5.252 ( 3.214 -0.980 -1.960) 3.890 5.277 ( 2.625 1.365 -0.528) 3.005 5.329 ( 1.534 0.847 2.659) 3.185 5.364 ( 1.404 2.871 3.093) 4.448 5.507 ( 1.682 -1.042 1.390) 2.418 5.629 ( 5.070 0.809 0.445) 5.154 5.905 ( -1.200 5.801 4.889) 7.681 5.978 ( 0.961 0.733 2.890) 3.133 6.029 ( 2.705 -1.321 -4.005) 5.010 6.182 ( 6.754 0.421 -1.416) 6.914 6.189 ( 2.481 -3.392 0.155) 4.206 6.441 ( 4.602 -5.380 6.507) 9.616 6.487 ( 1.517 -14.176 -4.625) 14.988 6.619 ( -6.225 3.419 5.058) 8.719 6.661 ( -2.408 -4.390 -2.122) 5.438 6.826 ( -6.649 -2.284 -5.282) 8.794 6.897 ( -6.230 0.148 -5.070) 8.034 6.947 ( -1.072 -0.488 -9.671) 9.743 7.156 ( -11.666 -4.918 -0.409) 12.667 7.233 ( -4.928 -2.937 3.524) 6.733 7.318 ( -4.930 1.004 1.163) 5.164 7.442 ( -6.645 5.111 1.063) 8.451 7.596 ( -0.958 -1.195 -2.175) 2.660 7.671 ( 6.025 -3.142 5.424) 8.695 7.899 ( -0.901 3.998 -1.554) 4.383 8.184 ( 10.194 -0.440 0.796) 10.234 8.338 ( 3.207 -3.044 1.645) 4.718 8.407 ( -3.570 1.867 -0.972) 4.144 8.699 ( -6.103 -2.082 0.080) 6.449 8.880 ( -1.768 -3.008 -1.482) 3.791 9.040 ( 2.148 0.789 -6.705) 7.084 9.091 ( -4.486 -4.892 -4.537) 8.040 9.280 ( 0.436 1.057 3.198) 3.397 9.322 ( 3.847 5.160 1.463) 6.601 9.498 ( 8.722 3.408 -7.112) 11.758 9.658 ( -0.438 0.463 -2.718) 2.791 9.739 ( 3.054 -5.466 6.308) 8.888 9.851 ( 2.069 3.406 4.920) 6.331 9.956 ( 4.109 6.636 0.812) 7.847 10.040 ( -3.317 -1.697 -3.693) 5.246 10.443 ( -0.846 -5.101 0.312) 5.180 10.506 ( -7.094 -3.238 -2.235) 8.112 10.583 ( 0.877 0.103 6.880) 6.936 10.791 ( 2.695 1.249 1.640) 3.393 10.907 ( -2.146 5.407 4.134) 7.136 11.108 ( -2.029 -5.282 -3.251) 6.526 11.225 ( 0.304 -2.186 2.354) 3.227 11.367 ( -4.244 0.679 -0.434) 4.320 11.525 ( -6.025 0.429 -2.081) 6.388 11.865 ( -2.218 -0.637 -0.835) 2.454 12.024 ( 0.678 7.869 -0.076) 7.898 12.148 ( 1.923 -4.381 0.192) 4.788 12.276 ( 1.673 -6.756 -0.130) 6.961 12.376 ( 3.895 5.354 -0.989) 6.694 12.572 ( 0.422 6.919 -2.390) 7.333 12.715 ( 0.675 -2.900 1.327) 3.260 12.869 ( -1.766 2.219 -2.383) 3.705 12.912 ( -3.630 0.673 0.486) 3.724 13.057 ( 2.002 7.533 0.260) 7.799 13.179 ( -7.464 -0.462 4.145) 8.550 13.408 ( 5.992 -3.554 1.851) 7.208 13.499 ( -1.007 0.964 0.430) 1.459 13.670 ( 5.116 0.140 -0.549) 5.147 13.873 ( 4.750 -0.609 5.088) 6.987 14.220 ( -6.607 -6.272 -5.183) 10.482 14.504 ( 3.726 1.857 1.428) 4.401 14.588 ( -2.077 2.599 -2.788) 4.341 14.902 ( -0.586 3.078 -1.434) 3.446 15.109 ( -0.619 1.103 -0.189) 1.279 15.162 ( 1.651 -5.872 6.214) 8.707 15.233 ( 2.386 -1.688 -1.947) 3.512 15.322 ( 2.145 -1.013 -4.281) 4.895 15.640 ( 3.359 4.790 3.252) 6.693 15.673 ( 3.434 2.126 -1.195) 4.212 15.980 ( -1.509 -2.776 -2.626) 4.109 16.170 ( -2.942 1.124 -0.249) 3.159 16.481 ( -5.208 -6.702 -4.206) 9.472 16.500 ( 0.186 -1.503 0.344) 1.553 16.786 ( -3.770 1.651 -5.845) 7.148 16.900 ( 8.776 0.287 10.040) 13.338 17.108 ( 1.600 6.165 2.527) 6.852 17.391 ( -7.230 8.529 -7.120) 13.256 17.537 ( 1.096 -5.147 0.782) 5.320 17.622 ( -1.234 3.549 -0.856) 3.854 17.845 ( -11.576 -3.893 -11.498) 16.774 18.014 ( -4.310 -2.397 -4.225) 6.494 18.179 ( 2.015 -2.046 -2.602) 3.875 18.300 ( -2.236 -3.575 -1.636) 4.523 18.553 ( 0.635 1.772 -5.269) 5.595 18.704 ( 5.237 0.174 5.501) 7.597 18.902 ( 17.184 3.714 15.774) 23.620 19.021 ( -2.842 0.817 -2.456) 3.844 19.091 ( -2.790 0.914 -3.527) 4.589 19.220 ( -2.830 1.027 -1.900) 3.560 19.474 ( 0.689 -3.956 6.439) 7.589 19.569 ( 1.376 -0.667 3.136) 3.489 19.644 ( 18.108 -0.127 19.798) 26.830 19.795 ( -1.679 0.785 2.479) 3.096 19.900 ( 0.267 0.737 -1.180) 1.417 19.947 ( -0.772 0.422 2.745) 2.883 20.113 ( 0.634 2.303 -2.760) 3.650 20.269 ( -1.401 9.704 0.854) 9.841 20.637 ( 4.025 -0.419 1.902) 4.472 20.729 ( -4.613 -7.932 -6.249) 11.102 21.263 ( -11.241 10.271 -9.286) 17.835 21.423 ( 6.973 0.465 10.276) 12.427 21.933 ( 1.412 -0.959 1.145) 2.055 21.997 ( 0.456 1.118 -1.660) 2.053 22.035 ( 1.039 -3.280 2.053) 4.007 22.160 ( -2.448 -2.014 -1.927) 3.710 22.299 ( 0.665 0.708 -0.753) 1.229 22.382 ( -1.790 1.748 -3.100) 3.984 22.488 ( -6.072 -8.497 -4.261) 11.279 22.720 ( -5.780 2.679 -6.923) 9.408 23.202 ( -18.653 -8.043 -18.583) 27.531 23.835 ( 20.604 9.892 17.046) 28.512 24.757 ( -6.863 6.686 -9.607) 13.568 25.070 ( 17.040 -1.387 22.005) 27.866 25.430 ( -0.173 -0.099 1.771) 1.783 25.466 ( -2.422 -0.029 -1.520) 2.859 25.675 ( -0.716 -0.788 0.751) 1.303 25.855 ( 5.892 -2.800 -3.169) 7.252 26.329 ( -1.137 -8.373 -2.464) 8.802 26.570 ( -6.414 -2.148 -3.677) 7.699 26.731 ( 4.902 1.372 3.554) 6.208 26.782 ( -10.427 7.658 -9.946) 16.319 27.051 ( 7.379 0.009 3.084) 7.997 27.136 ( 3.271 -1.504 1.695) 3.979 27.326 ( -1.341 -5.252 -4.804) 7.243 27.460 ( -4.017 -2.469 -1.775) 5.038 27.600 ( -6.104 4.710 -5.052) 9.218 27.912 ( 3.144 -1.420 2.406) 4.206 28.152 ( -1.937 8.828 1.200) 9.117 28.292 ( -0.402 -0.921 -3.045) 3.207 28.312 ( -0.766 -1.720 -0.726) 2.018 28.502 ( 6.384 -1.619 10.911) 12.745 28.762 ( -1.185 -1.636 1.793) 2.701 28.813 ( -3.266 -1.333 -1.494) 3.831 28.959 ( 8.739 -9.292 7.319) 14.707 29.045 ( 0.554 2.943 1.628) 3.409 29.230 ( -1.322 -7.442 1.347) 7.678 29.390 ( -5.945 0.701 -5.953) 8.443 29.553 ( 1.119 4.962 -1.738) 5.375 29.724 ( -3.237 -1.447 -2.630) 4.415 29.749 ( -1.255 -0.409 -1.563) 2.046 30.240 ( -11.420 -2.474 -13.199) 17.629 30.375 ( 17.471 -20.373 -14.396) 30.456 31.176 ( 13.710 -0.269 7.637) 15.696 31.212 ( 5.906 -0.715 15.575) 16.673 31.338 ( -0.260 -2.054 -1.831) 2.764 31.531 ( 3.071 -6.650 -5.763) 9.320 31.757 ( 2.727 4.573 4.816) 7.179 31.947 ( -0.411 -0.146 0.780) 0.894 32.071 ( -2.274 3.849 1.825) 4.829 32.202 ( 1.984 3.324 4.031) 5.589 32.547 ( -2.826 -1.101 -2.634) 4.017 32.683 ( 2.342 -6.047 -0.760) 6.529 32.834 ( 0.072 -2.500 1.446) 2.889 32.908 ( -0.321 -0.603 7.858) 7.888 33.101 ( 1.426 8.813 -21.792) 23.550 33.387 ( 1.361 0.067 -4.832) 5.020 33.590 ( -13.052 12.146 12.689) 21.883 33.983 ( 1.367 6.733 6.173) 9.236 38.242 ( 0.410 1.845 -0.641) 1.995 38.553 ( -1.968 -4.568 -7.031) 8.612 38.664 ( -1.411 -1.073 0.377) 1.812 39.139 ( -17.174 16.585 -6.682) 24.792 39.258 ( -6.854 10.177 1.586) 12.372 39.591 ( -3.984 4.437 -3.540) 6.934 39.748 ( 2.706 -0.373 -1.852) 3.300 39.910 ( 3.893 5.320 -0.531) 6.614 40.975 ( 1.475 -6.054 1.540) 6.419 41.231 ( 0.751 -3.753 5.203) 6.459 41.452 ( 0.785 6.426 -2.840) 7.069 42.196 ( 20.915 -12.226 -11.453) 26.797 42.298 ( 2.285 0.404 1.047) 2.546 42.467 ( 8.167 -2.416 -4.630) 9.693 42.616 ( -23.145 -11.857 46.159) 52.980 43.583 ( -5.485 -8.032 -0.328) 9.732 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 15.491 16.593 21.036) 30.949 1.701 ( 15.091 15.395 16.383) 27.077 2.351 ( -14.281 8.453 -17.288) 23.964 2.494 ( -0.647 9.583 4.840) 10.755 2.697 ( 2.509 -0.764 10.780) 11.094 2.871 ( 1.227 7.279 11.517) 13.679 3.032 ( -7.295 -1.556 -7.616) 10.660 3.074 ( -11.746 0.183 -3.389) 12.226 3.195 ( 4.587 -3.452 2.026) 6.088 3.273 ( -0.403 1.164 -0.614) 1.376 3.344 ( -4.240 5.825 -1.303) 7.321 3.421 ( 0.804 -3.871 1.614) 4.270 3.557 ( 3.208 2.126 2.728) 4.717 3.651 ( -2.586 -1.829 3.568) 4.771 3.813 ( -5.973 -9.052 -7.643) 13.268 3.950 ( -3.826 -2.724 4.458) 6.475 4.221 ( -2.430 1.406 1.431) 3.151 4.238 ( -2.179 -2.363 0.633) 3.276 4.268 ( -3.756 -4.182 -3.799) 6.785 4.372 ( 2.890 -1.698 2.022) 3.914 4.460 ( 1.377 -3.180 -4.772) 5.897 4.653 ( -2.368 0.722 2.173) 3.293 4.698 ( 1.648 10.919 -8.489) 13.928 4.890 ( 1.873 -3.502 3.838) 5.523 4.979 ( 2.778 6.137 2.145) 7.070 5.193 ( 0.188 -2.973 -9.807) 10.249 5.283 ( -0.767 2.275 1.119) 2.649 5.400 ( 6.229 5.150 2.382) 8.426 5.471 ( 3.600 -1.320 2.465) 4.558 5.522 ( -1.459 -2.312 -0.251) 2.745 5.703 ( 1.395 -5.625 3.018) 6.534 5.902 ( 0.841 1.856 -3.705) 4.229 5.953 ( 3.893 -0.257 -7.013) 8.026 6.020 ( 1.668 -4.353 1.695) 4.960 6.214 ( 1.023 -5.343 2.032) 5.808 6.273 ( -1.015 -3.513 0.569) 3.700 6.425 ( -2.428 3.460 -0.838) 4.309 6.485 ( -2.441 -1.301 -4.855) 5.588 6.525 ( -8.932 -0.612 -8.110) 12.080 6.673 ( -3.770 -4.469 5.028) 7.711 6.767 ( 1.024 -8.484 1.549) 8.684 6.828 ( 2.775 -0.363 0.908) 2.942 6.872 ( 1.199 -7.016 1.802) 7.342 6.975 ( -8.956 -1.946 -2.080) 9.398 7.130 ( -7.264 1.681 3.088) 8.070 7.249 ( -3.002 0.625 0.449) 3.099 7.476 ( -0.015 0.181 0.463) 0.497 7.538 ( -1.200 6.956 3.166) 7.736 7.773 ( 0.250 -0.262 1.356) 1.403 7.869 ( 0.829 8.845 -5.951) 10.693 8.225 ( -7.470 2.392 -2.268) 8.165 8.377 ( 4.464 -2.002 0.176) 4.896 8.459 ( 6.140 -1.760 0.231) 6.391 8.690 ( 2.432 -3.761 5.144) 6.820 8.832 ( 0.850 1.775 -4.114) 4.560 8.964 ( -3.288 -6.533 -1.414) 7.449 9.008 ( -0.082 -2.417 -3.359) 4.139 9.333 ( 1.799 3.319 1.754) 4.163 9.429 ( 7.898 0.643 0.931) 7.978 9.519 ( 5.872 2.174 -6.770) 9.222 9.660 ( 2.595 -5.493 0.091) 6.076 9.805 ( -3.805 1.918 2.832) 5.116 9.883 ( -0.265 1.110 -4.679) 4.816 9.923 ( -2.204 -0.665 -0.507) 2.357 10.104 ( 5.174 6.846 6.885) 11.002 10.315 ( -10.408 -0.693 -6.101) 12.084 10.448 ( -1.735 -4.005 2.006) 4.803 10.679 ( 1.347 2.837 6.572) 7.284 10.879 ( 4.478 -0.801 1.750) 4.874 10.943 ( -1.003 0.912 5.236) 5.409 11.040 ( -1.458 -2.185 -0.747) 2.731 11.225 ( -3.500 -0.402 -0.788) 3.610 11.327 ( -2.779 0.124 2.314) 3.618 11.420 ( -3.668 5.163 0.121) 6.334 11.827 ( -0.882 -4.186 -2.373) 4.892 11.995 ( -2.409 4.362 -1.183) 5.122 12.160 ( 1.572 -3.732 -2.311) 4.662 12.292 ( 1.917 -5.596 -2.301) 6.348 12.446 ( 5.296 4.591 0.129) 7.010 12.540 ( -0.365 3.993 -2.372) 4.659 12.717 ( -1.749 1.934 -0.656) 2.689 12.815 ( -2.958 0.228 0.257) 2.978 12.882 ( -0.328 -4.405 -0.282) 4.426 13.092 ( 1.287 6.524 0.723) 6.688 13.127 ( -5.998 -1.818 2.919) 6.914 13.343 ( -7.122 0.803 -2.041) 7.452 13.644 ( 9.354 -1.341 4.106) 10.303 13.726 ( 4.291 -0.368 -1.504) 4.562 14.024 ( 5.006 -1.132 6.749) 8.479 14.087 ( -4.050 -4.108 -2.179) 6.166 14.532 ( 0.332 0.291 -2.687) 2.723 14.560 ( 2.271 1.501 0.607) 2.789 14.895 ( -0.124 4.593 0.956) 4.693 15.046 ( -2.597 -2.129 -4.703) 5.779 15.160 ( -3.549 -0.941 2.190) 4.275 15.299 ( 4.266 2.876 -5.529) 7.552 15.359 ( 4.733 -7.912 3.269) 9.782 15.574 ( -4.038 11.381 -11.877) 16.938 15.729 ( 2.803 4.933 -0.550) 5.700 15.918 ( -3.252 -6.902 -2.615) 8.066 16.216 ( 3.971 -2.235 8.305) 9.473 16.349 ( -4.854 -4.041 -1.681) 6.536 16.612 ( 7.936 3.345 6.781) 10.962 16.660 ( -1.316 0.590 -3.926) 4.183 17.069 ( -3.218 2.335 -3.715) 5.441 17.156 ( 3.184 -2.462 3.817) 5.547 17.379 ( 4.747 1.376 4.879) 6.945 17.455 ( -5.063 4.075 -2.511) 6.968 17.586 ( 1.306 -1.617 0.733) 2.204 17.681 ( 1.781 -1.810 1.229) 2.822 18.081 ( 3.435 -1.795 4.714) 6.103 18.146 ( -1.625 -1.768 -0.481) 2.449 18.323 ( 4.039 -7.886 0.731) 8.890 18.486 ( -0.960 -2.442 -4.544) 5.247 18.838 ( 3.329 0.111 2.848) 4.382 18.857 ( -3.843 2.061 -4.302) 6.125 19.043 ( -3.334 4.101 -2.032) 5.662 19.074 ( -0.908 4.512 0.595) 4.641 19.379 ( 3.610 -0.924 2.296) 4.377 19.480 ( 1.037 3.871 -1.338) 4.225 19.620 ( 2.070 -1.139 4.527) 5.106 19.730 ( -6.105 2.797 -2.724) 7.246 19.869 ( -3.639 -1.241 0.067) 3.846 19.882 ( -3.807 -3.175 -4.246) 6.527 19.942 ( 1.909 -2.722 2.559) 4.195 20.137 ( 3.257 3.231 7.893) 9.129 20.481 ( -9.793 -6.616 -12.016) 16.854 20.533 ( 7.097 -3.460 5.372) 9.550 20.807 ( 13.845 10.753 14.789) 22.935 20.926 ( -11.296 11.990 -10.756) 19.674 21.757 ( 10.403 -1.061 11.706) 15.696 21.797 ( -11.389 -1.280 -11.107) 15.960 22.036 ( 2.196 -0.968 3.326) 4.102 22.059 ( -2.889 -1.912 -1.482) 3.768 22.116 ( 3.014 -2.389 3.938) 5.505 22.217 ( -1.888 -1.779 0.718) 2.692 22.335 ( 1.149 1.962 -2.051) 3.062 22.383 ( -0.363 1.694 -0.866) 1.937 22.774 ( 8.152 -3.972 7.744) 11.925 22.899 ( -3.177 -5.309 -4.619) 7.721 24.312 ( 14.463 8.352 11.665) 20.372 24.423 ( -11.243 8.742 -14.957) 20.653 25.379 ( -1.971 -1.054 0.077) 2.236 25.398 ( -1.768 -0.106 -0.892) 1.983 25.552 ( -3.224 -3.613 0.253) 4.849 25.648 ( 2.203 -8.548 11.514) 14.508 25.880 ( 4.051 3.786 -6.408) 8.474 26.188 ( -3.993 -4.642 -8.693) 10.633 26.490 ( -2.680 4.813 0.422) 5.525 26.644 ( 0.502 -0.089 1.091) 1.204 26.850 ( 4.532 -0.540 0.025) 4.564 27.081 ( -2.415 -4.998 -3.910) 6.790 27.221 ( 3.738 -4.359 0.613) 5.775 27.324 ( -0.084 -4.535 -3.735) 5.876 27.391 ( 1.596 1.442 1.347) 2.538 27.498 ( 0.025 3.722 0.295) 3.734 27.951 ( 0.293 0.005 0.025) 0.294 28.104 ( -2.301 1.531 -2.144) 3.498 28.262 ( -0.452 2.682 -0.372) 2.746 28.297 ( -0.200 -0.774 -0.145) 0.813 28.694 ( 1.338 -2.635 2.046) 3.594 28.707 ( -3.413 3.563 -3.126) 5.841 28.807 ( -7.562 1.069 -6.844) 10.255 28.905 ( -2.677 1.422 2.214) 3.754 29.078 ( -2.175 -1.208 0.930) 2.656 29.116 ( -1.627 -0.886 2.202) 2.877 29.220 ( -2.136 -0.053 -6.270) 6.624 29.606 ( 4.365 2.728 1.377) 5.328 29.632 ( -3.179 -1.590 -3.325) 4.867 29.708 ( -1.407 0.516 -0.740) 1.671 30.014 ( -2.990 -0.383 -6.564) 7.223 30.531 ( 7.533 -26.149 -5.390) 27.741 31.102 ( -1.113 0.745 -4.962) 5.140 31.400 ( 0.947 0.349 -11.282) 11.327 31.452 ( -0.895 -0.753 5.745) 5.862 31.590 ( 13.830 0.489 8.754) 16.375 31.859 ( -0.615 2.404 1.260) 2.783 31.906 ( 1.472 2.500 1.632) 3.328 32.169 ( 3.447 -2.630 7.568) 8.722 32.266 ( -1.647 0.867 3.883) 4.306 32.504 ( -0.015 0.182 0.491) 0.524 32.692 ( 1.028 -4.711 -2.498) 5.431 32.756 ( -8.002 3.029 -3.339) 9.184 32.966 ( 8.844 4.819 -11.598) 15.361 33.024 ( 0.704 -3.209 8.274) 8.902 33.321 ( 0.574 -0.837 -5.812) 5.900 33.559 ( -8.987 14.760 10.937) 20.451 34.268 ( 12.838 -1.849 15.488) 20.202 38.235 ( -0.706 -1.727 -0.199) 1.876 38.450 ( -1.453 -3.721 -4.474) 5.997 38.626 ( -2.303 4.032 -2.007) 5.059 38.949 ( -5.721 7.166 0.364) 9.177 39.280 ( 0.972 0.466 3.205) 3.381 39.521 ( -2.029 7.482 -1.315) 7.863 39.727 ( -0.105 1.170 -3.093) 3.309 39.992 ( 2.214 5.331 4.846) 7.537 41.008 ( -0.046 -7.419 1.259) 7.525 41.261 ( -0.608 -2.962 1.488) 3.370 41.436 ( 1.051 9.269 -1.709) 9.484 42.193 ( 4.644 -2.890 -10.676) 11.996 42.361 ( 3.767 0.510 1.782) 4.198 42.526 ( 12.762 -1.186 -10.069) 16.300 42.751 ( -23.758 -11.419 29.754) 39.751 43.470 ( -8.443 -7.748 -1.375) 11.542 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -22.683 17.101 -26.084) 38.565 2.067 ( 10.322 7.676 18.542) 22.567 2.296 ( 15.092 5.570 3.853) 16.542 2.482 ( -4.916 4.759 -2.640) 7.334 2.622 ( -8.986 0.314 4.767) 10.177 2.830 ( -10.982 -1.926 -4.556) 12.045 2.852 ( -5.300 -4.960 -5.874) 9.338 3.088 ( 0.502 4.538 6.036) 7.568 3.203 ( 0.934 1.712 0.981) 2.183 3.306 ( 1.074 1.463 -2.709) 3.261 3.343 ( 1.880 1.188 2.751) 3.537 3.475 ( 2.476 -5.737 3.387) 7.107 3.521 ( -7.813 -11.566 1.120) 14.002 3.629 ( -2.746 -5.999 -5.512) 8.598 3.710 ( -2.445 3.465 0.331) 4.253 4.059 ( 1.047 -3.838 3.527) 5.317 4.128 ( 0.567 -1.415 -0.891) 1.765 4.243 ( -1.563 -7.864 5.498) 9.721 4.311 ( -0.368 0.983 6.367) 6.452 4.369 ( -0.693 -7.817 -4.752) 9.174 4.426 ( 0.716 5.692 0.458) 5.755 4.628 ( 2.948 7.550 -10.002) 12.874 4.697 ( -1.422 3.684 5.735) 6.963 4.804 ( -4.138 11.753 -3.844) 13.040 5.104 ( 4.679 -2.060 -2.887) 5.871 5.175 ( 3.594 5.779 5.369) 8.668 5.327 ( 2.723 1.700 3.582) 4.810 5.437 ( -4.118 0.762 -0.122) 4.190 5.471 ( 4.022 4.756 -3.870) 7.333 5.591 ( 6.841 -1.094 3.828) 7.915 5.784 ( 0.817 -8.820 7.206) 11.419 5.876 ( 2.909 -8.199 -3.530) 9.388 5.972 ( 1.362 0.362 -1.426) 2.005 6.077 ( 3.412 -4.293 -6.721) 8.674 6.179 ( -1.175 -3.811 0.865) 4.081 6.252 ( 1.733 -3.811 1.507) 4.450 6.331 ( -5.291 2.267 -1.462) 5.939 6.396 ( -2.709 0.800 -1.260) 3.093 6.426 ( -2.218 -1.751 -4.587) 5.388 6.605 ( -8.578 2.331 -6.353) 10.926 6.699 ( -5.690 -5.198 -1.568) 7.865 6.767 ( -2.135 -2.997 0.405) 3.702 6.875 ( -0.160 -0.271 1.833) 1.860 7.016 ( 5.140 0.441 3.342) 6.147 7.184 ( -1.396 3.029 8.162) 8.817 7.315 ( 2.842 0.938 4.974) 5.805 7.401 ( -2.584 0.917 -3.352) 4.331 7.643 ( 3.529 5.478 4.984) 8.204 7.696 ( -3.748 1.851 -5.272) 6.729 7.819 ( 1.066 5.910 -1.918) 6.304 8.147 ( -1.618 -7.815 2.645) 8.408 8.336 ( -5.498 0.439 -6.237) 8.326 8.482 ( 0.571 -0.411 -3.274) 3.349 8.771 ( 3.346 -0.042 -3.855) 5.105 8.886 ( 6.947 -0.058 4.974) 8.545 8.953 ( -0.514 -3.814 2.232) 4.449 8.992 ( -1.019 -7.639 3.454) 8.445 9.379 ( 2.352 -1.919 -1.658) 3.459 9.490 ( 3.254 -0.094 -6.830) 7.567 9.530 ( 6.063 4.239 -2.738) 7.888 9.675 ( -5.525 -1.688 0.151) 5.779 9.716 ( -3.022 -2.351 3.482) 5.175 9.850 ( 1.347 1.829 -3.181) 3.909 9.953 ( 3.319 3.299 1.717) 4.985 10.095 ( -7.481 1.106 -5.980) 9.641 10.194 ( -3.614 10.081 3.847) 11.379 10.455 ( 0.206 -3.284 2.269) 3.997 10.783 ( 2.448 -1.404 4.619) 5.413 10.914 ( 0.446 -6.283 -0.815) 6.351 10.989 ( 0.353 0.144 1.384) 1.436 11.086 ( 2.297 4.699 4.211) 6.714 11.172 ( -2.222 2.820 1.135) 3.765 11.268 ( -2.616 2.558 -1.560) 3.978 11.458 ( 0.285 0.440 5.638) 5.662 11.743 ( -3.971 -3.047 -6.151) 7.930 11.975 ( 0.316 4.276 0.570) 4.325 12.153 ( 2.613 -2.899 -2.458) 4.612 12.266 ( -0.495 -2.057 -3.468) 4.063 12.495 ( 0.930 0.447 0.079) 1.035 12.514 ( 0.052 -1.383 -1.080) 1.756 12.672 ( -1.542 5.072 -1.129) 5.420 12.800 ( 0.143 -0.569 0.472) 0.753 12.891 ( 0.863 -5.352 0.737) 5.471 13.043 ( -7.046 -5.146 0.646) 8.749 13.133 ( 2.162 3.375 -0.243) 4.015 13.229 ( -4.937 3.276 -1.374) 6.082 13.729 ( 1.899 2.314 -1.761) 3.473 13.817 ( 4.215 -2.249 3.395) 5.861 14.005 ( -1.521 -4.688 -0.835) 4.999 14.239 ( 7.417 -1.149 9.125) 11.816 14.522 ( 1.728 -0.729 -1.415) 2.349 14.617 ( 2.850 2.859 2.555) 4.777 14.914 ( 0.120 2.828 2.051) 3.495 14.949 ( -2.579 -1.343 -5.766) 6.457 15.135 ( -3.276 -3.539 -0.278) 4.831 15.179 ( -6.131 7.901 -9.379) 13.711 15.387 ( 0.536 15.058 -5.565) 16.062 15.471 ( 3.268 -3.252 0.910) 4.700 15.693 ( -1.321 2.770 -4.596) 5.526 15.820 ( -4.720 -7.112 -2.755) 8.969 16.342 ( 1.536 -1.323 3.572) 4.107 16.397 ( 3.613 -6.800 6.187) 9.878 16.655 ( 2.296 -1.388 1.061) 2.885 16.848 ( 5.830 -1.230 6.483) 8.805 16.953 ( 0.949 5.403 -1.251) 5.626 17.175 ( -0.275 -3.480 -0.769) 3.575 17.353 ( -2.060 5.142 0.193) 5.543 17.581 ( 0.325 -0.952 -0.965) 1.395 17.669 ( 7.876 -2.068 5.993) 10.111 17.836 ( 8.740 4.912 11.020) 14.898 18.134 ( -2.567 1.669 -1.229) 3.299 18.189 ( 7.435 -9.596 7.390) 14.212 18.365 ( 1.600 -7.444 1.028) 7.683 18.491 ( 3.509 -5.486 0.871) 6.570 18.721 ( -1.798 5.867 -4.255) 7.467 18.858 ( -10.733 1.773 -10.844) 15.360 18.960 ( -0.458 0.310 0.526) 0.763 19.130 ( -1.337 2.172 -1.874) 3.165 19.190 ( -0.325 3.438 -0.330) 3.469 19.416 ( -14.195 1.237 -9.352) 17.044 19.489 ( -7.642 -7.750 -6.692) 12.777 19.630 ( -6.639 -2.328 -5.161) 8.726 19.840 ( 0.273 -1.910 0.250) 1.946 19.924 ( 3.168 0.341 1.608) 3.570 20.018 ( 5.247 -1.212 6.489) 8.432 20.206 ( -4.129 7.434 -4.135) 9.456 20.255 ( 1.818 2.977 5.676) 6.662 20.566 ( -1.929 -2.496 -4.586) 5.566 20.731 ( -2.966 4.280 -4.018) 6.577 21.246 ( 12.037 6.502 12.995) 18.869 21.428 ( -11.350 -2.949 -9.420) 15.041 21.970 ( 1.286 -0.450 0.529) 1.462 22.008 ( 1.522 1.139 1.612) 2.493 22.066 ( -0.342 -3.416 1.283) 3.665 22.168 ( 0.063 -0.550 1.622) 1.714 22.268 ( -0.071 1.027 -3.187) 3.349 22.453 ( 4.100 0.422 2.732) 4.944 22.552 ( 15.190 -0.444 18.812) 24.183 22.871 ( 2.482 -2.972 0.403) 3.893 23.196 ( 22.226 -3.813 24.232) 33.102 23.896 ( -19.020 8.850 -23.364) 31.400 24.695 ( 9.775 4.993 7.431) 13.254 25.034 ( -22.770 -1.046 -18.112) 29.113 25.404 ( -0.292 0.047 0.639) 0.704 25.433 ( -2.204 -0.562 -1.022) 2.493 25.751 ( -4.856 -0.599 -3.131) 5.809 25.873 ( 4.886 -0.398 0.631) 4.942 26.134 ( 2.702 -3.480 -1.137) 4.550 26.528 ( 1.138 2.481 6.876) 7.398 26.715 ( 2.165 -3.881 2.556) 5.127 26.836 ( -0.529 -2.068 -4.764) 5.220 26.946 ( -3.184 -4.119 -6.608) 8.412 27.235 ( -2.041 -0.485 0.290) 2.118 27.308 ( 2.059 -1.736 -3.401) 4.338 27.380 ( -1.176 2.049 -0.130) 2.366 27.624 ( 5.213 0.841 4.971) 7.252 27.926 ( -0.332 1.864 -1.673) 2.526 28.080 ( 0.817 -4.856 0.531) 4.953 28.254 ( -0.753 5.523 -0.141) 5.576 28.298 ( -0.742 -0.499 -0.442) 0.998 28.388 ( -8.999 2.239 -9.684) 13.409 28.670 ( -0.371 5.429 0.103) 5.443 28.757 ( -6.725 -10.999 -5.966) 14.205 28.917 ( 1.508 -3.284 1.362) 3.861 29.024 ( -1.274 1.460 -0.917) 2.144 29.085 ( -0.032 3.878 1.287) 4.086 29.413 ( 11.860 6.079 10.493) 16.962 29.559 ( -1.688 -2.616 -2.072) 3.739 29.633 ( 0.849 1.157 -2.101) 2.544 29.750 ( 1.802 -0.113 5.715) 5.993 29.937 ( -1.839 1.727 -2.206) 3.351 30.406 ( -6.658 -9.612 -8.635) 14.535 30.985 ( -4.375 -1.062 -12.201) 13.006 31.273 ( -1.086 -5.437 -2.208) 5.968 31.605 ( 7.273 6.768 7.703) 12.571 31.795 ( 0.413 2.076 0.965) 2.326 31.845 ( 5.288 1.976 3.147) 6.463 31.999 ( 3.841 -4.391 1.775) 6.098 32.205 ( -4.180 -4.030 -0.367) 5.818 32.295 ( -1.504 -0.913 1.923) 2.606 32.536 ( 0.607 0.671 1.820) 2.033 32.612 ( -0.481 1.795 -2.862) 3.412 32.684 ( -1.823 0.370 -0.884) 2.060 32.971 ( 4.492 2.404 -4.457) 6.769 33.113 ( 0.678 -4.906 4.196) 6.491 33.288 ( 0.789 -4.622 -1.459) 4.911 33.585 ( -2.634 16.652 5.718) 17.803 34.634 ( 10.871 -7.344 12.155) 17.884 38.219 ( -1.250 -3.329 0.054) 3.556 38.403 ( -0.146 -5.277 -1.430) 5.469 38.560 ( -1.928 7.073 -2.817) 7.853 38.911 ( -1.357 -1.932 0.498) 2.413 39.343 ( 0.751 0.006 4.188) 4.255 39.487 ( -0.241 9.508 -1.877) 9.695 39.689 ( -0.749 3.394 -1.634) 3.841 40.073 ( 1.247 6.060 3.722) 7.220 40.999 ( -1.636 -7.083 -0.112) 7.270 41.261 ( -0.271 -5.237 -0.416) 5.261 41.444 ( 1.010 11.151 0.400) 11.204 42.123 ( 0.981 -2.028 -6.054) 6.459 42.439 ( 3.289 0.336 1.821) 3.775 42.587 ( 14.846 -1.424 -11.927) 19.097 42.726 ( -20.938 -5.910 19.531) 29.237 43.328 ( -7.174 -7.474 -1.951) 10.541 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.000 25.686 0.000) 25.686 2.280 ( 0.000 0.260 0.000) 0.260 2.374 ( 0.000 -0.716 0.000) 0.716 2.520 ( -0.000 10.437 -0.000) 10.437 2.575 ( 0.000 -2.861 0.000) 2.861 2.702 ( 0.000 1.894 0.000) 1.894 2.757 ( 0.000 -9.629 0.000) 9.629 3.115 ( 0.000 4.261 0.000) 4.261 3.227 ( 0.000 2.657 0.000) 2.657 3.290 ( 0.000 1.915 0.000) 1.915 3.390 ( 0.000 -1.998 0.000) 1.998 3.415 ( 0.000 -16.074 0.000) 16.074 3.561 ( 0.000 -4.279 0.000) 4.279 3.585 ( 0.000 1.500 -0.000) 1.500 3.652 ( 0.000 7.023 0.000) 7.023 4.036 ( 0.000 -12.174 0.000) 12.174 4.191 ( 0.000 -2.829 0.000) 2.829 4.279 ( 0.000 -4.636 -0.000) 4.636 4.307 ( 0.000 -9.009 0.000) 9.009 4.355 ( 0.000 3.589 0.000) 3.589 4.474 ( 0.000 5.966 -0.000) 5.966 4.545 ( 0.000 0.222 0.000) 0.222 4.726 ( 0.000 20.714 -0.000) 20.714 4.755 ( 0.000 4.416 0.000) 4.416 5.109 ( 0.000 7.278 0.000) 7.278 5.265 ( 0.000 -9.485 -0.000) 9.485 5.349 ( 0.000 3.262 0.000) 3.262 5.441 ( 0.000 9.045 -0.000) 9.045 5.468 ( -0.000 -1.412 0.000) 1.412 5.722 ( 0.000 -4.524 0.000) 4.524 5.791 ( 0.000 -9.957 0.000) 9.957 5.917 ( -0.000 -3.119 0.000) 3.119 5.937 ( 0.000 -3.052 0.000) 3.052 6.104 ( 0.000 -4.281 0.000) 4.281 6.144 ( -0.000 -3.759 -0.000) 3.759 6.254 ( 0.000 2.549 0.000) 2.549 6.291 ( 0.000 -1.114 0.000) 1.114 6.331 ( -0.000 1.518 0.000) 1.518 6.430 ( 0.000 -0.999 0.000) 0.999 6.442 ( -0.000 1.203 -0.000) 1.203 6.638 ( 0.000 -1.159 -0.000) 1.159 6.769 ( 0.000 -3.339 0.000) 3.339 6.890 ( 0.000 -1.952 0.000) 1.952 7.116 ( 0.000 2.760 0.000) 2.760 7.242 ( 0.000 9.188 0.000) 9.188 7.341 ( -0.000 1.544 -0.000) 1.544 7.345 ( 0.000 6.635 0.000) 6.635 7.633 ( -0.000 -0.319 0.000) 0.319 7.672 ( 0.000 7.653 -0.000) 7.653 7.903 ( 0.000 -12.205 -0.000) 12.205 8.150 ( 0.000 -13.138 0.000) 13.138 8.198 ( 0.000 5.659 0.000) 5.659 8.457 ( 0.000 3.969 0.000) 3.969 8.767 ( 0.000 0.683 0.000) 0.683 8.960 ( 0.000 -1.521 0.000) 1.521 8.967 ( 0.000 -8.836 0.000) 8.836 9.064 ( 0.000 -3.678 0.000) 3.678 9.323 ( 0.000 -7.951 0.000) 7.951 9.524 ( -0.000 5.224 0.000) 5.224 9.526 ( 0.000 5.002 -0.000) 5.002 9.637 ( -0.000 3.505 0.000) 3.505 9.703 ( 0.000 -7.534 -0.000) 7.534 9.861 ( -0.000 6.317 0.000) 6.317 9.964 ( 0.000 3.542 0.000) 3.542 10.037 ( 0.000 3.857 0.000) 3.857 10.157 ( 0.000 4.275 0.000) 4.275 10.484 ( 0.000 -1.564 0.000) 1.564 10.837 ( 0.000 -4.266 0.000) 4.266 10.904 ( 0.000 -7.515 0.000) 7.515 10.991 ( 0.000 1.327 0.000) 1.327 11.124 ( 0.000 2.733 0.000) 2.733 11.191 ( 0.000 7.678 0.000) 7.678 11.242 ( 0.000 4.661 -0.000) 4.661 11.527 ( 0.000 -5.873 0.000) 5.873 11.626 ( 0.000 0.496 0.000) 0.496 11.984 ( 0.000 5.602 0.000) 5.602 12.190 ( 0.000 -3.836 0.000) 3.836 12.206 ( 0.000 0.882 0.000) 0.882 12.500 ( 0.000 -3.432 0.000) 3.432 12.505 ( 0.000 -3.605 -0.000) 3.605 12.656 ( 0.000 7.518 0.000) 7.518 12.810 ( 0.000 1.650 0.000) 1.650 12.926 ( -0.000 -7.908 -0.000) 7.908 12.961 ( 0.000 -6.396 0.000) 6.396 13.155 ( -0.000 -0.171 0.000) 0.171 13.177 ( 0.000 6.314 0.000) 6.314 13.729 ( 0.000 4.061 0.000) 4.061 13.860 ( 0.000 -3.123 0.000) 3.123 14.001 ( 0.000 -4.451 0.000) 4.451 14.387 ( 0.000 -6.908 0.000) 6.908 14.526 ( 0.000 1.614 0.000) 1.614 14.695 ( 0.000 5.316 -0.000) 5.316 14.822 ( 0.000 1.050 0.000) 1.050 14.973 ( -0.000 6.666 -0.000) 6.666 14.985 ( 0.000 0.520 0.000) 0.520 15.136 ( 0.000 0.655 0.000) 0.655 15.360 ( 0.000 18.027 0.000) 18.027 15.508 ( 0.000 -3.367 0.000) 3.367 15.645 ( 0.000 1.425 0.000) 1.425 15.758 ( 0.000 -7.005 0.000) 7.005 16.389 ( 0.000 -0.514 0.000) 0.514 16.449 ( 0.000 -10.959 0.000) 10.959 16.732 ( -0.000 1.013 -0.000) 1.013 16.827 ( 0.000 -7.346 0.000) 7.346 17.027 ( 0.000 3.460 0.000) 3.460 17.201 ( 0.000 4.111 0.000) 4.111 17.324 ( 0.000 3.699 0.000) 3.699 17.574 ( 0.000 1.362 0.000) 1.362 17.766 ( 0.000 -2.684 0.000) 2.684 18.048 ( 0.000 0.277 0.000) 0.277 18.206 ( 0.000 5.545 0.000) 5.545 18.227 ( 0.000 -5.794 -0.000) 5.794 18.435 ( -0.000 -0.042 -0.000) 0.042 18.436 ( 0.000 -6.699 0.000) 6.699 18.670 ( 0.000 1.634 -0.000) 1.634 18.810 ( -0.000 -5.020 -0.000) 5.020 18.839 ( 0.000 -5.261 0.000) 5.261 19.014 ( 0.000 1.774 0.000) 1.774 19.211 ( 0.000 -5.350 0.000) 5.350 19.265 ( 0.000 5.627 0.000) 5.627 19.312 ( 0.000 -0.338 0.000) 0.338 19.588 ( 0.000 0.058 0.000) 0.058 19.849 ( 0.000 -3.745 0.000) 3.745 19.929 ( 0.000 -1.227 0.000) 1.227 20.124 ( -0.000 -1.245 0.000) 1.245 20.170 ( 0.000 10.725 0.000) 10.725 20.368 ( -0.000 1.912 -0.000) 1.912 20.446 ( 0.000 1.727 0.000) 1.727 20.697 ( 0.000 0.530 0.000) 0.530 21.286 ( 0.000 -3.159 0.000) 3.159 21.410 ( 0.000 4.620 0.000) 4.620 21.957 ( 0.000 -0.467 0.000) 0.467 22.051 ( 0.000 3.497 0.000) 3.497 22.071 ( 0.000 -4.667 0.000) 4.667 22.181 ( 0.000 -1.661 0.000) 1.661 22.243 ( 0.000 3.122 0.000) 3.122 22.502 ( 0.000 -1.962 0.000) 1.962 22.820 ( 0.000 -6.600 0.000) 6.600 23.015 ( 0.000 0.690 0.000) 0.690 23.450 ( 0.000 13.685 0.000) 13.685 23.729 ( 0.000 -4.718 -0.000) 4.718 24.460 ( 0.000 -4.847 0.000) 4.847 24.916 ( 0.000 9.942 0.000) 9.942 25.408 ( 0.000 0.420 0.000) 0.420 25.414 ( 0.000 -0.717 0.000) 0.717 25.669 ( 0.000 2.485 0.000) 2.485 25.915 ( 0.000 -0.679 0.000) 0.679 26.155 ( 0.000 -4.116 0.000) 4.116 26.614 ( 0.000 -2.939 0.000) 2.939 26.720 ( 0.000 -7.211 -0.000) 7.211 26.777 ( 0.000 -0.357 0.000) 0.357 26.905 ( 0.000 1.146 0.000) 1.146 27.232 ( 0.000 -4.978 -0.000) 4.978 27.248 ( 0.000 4.725 0.000) 4.725 27.386 ( 0.000 2.191 0.000) 2.191 27.690 ( 0.000 1.177 0.000) 1.177 27.932 ( 0.000 2.461 0.000) 2.461 28.104 ( 0.000 -4.482 0.000) 4.482 28.220 ( 0.000 -0.834 0.000) 0.834 28.254 ( 0.000 7.404 0.000) 7.404 28.331 ( 0.000 1.039 0.000) 1.039 28.623 ( 0.000 -16.013 0.000) 16.013 28.677 ( 0.000 5.305 0.000) 5.305 28.927 ( 0.000 -4.546 0.000) 4.546 29.009 ( 0.000 1.844 0.000) 1.844 29.129 ( 0.000 6.707 0.000) 6.707 29.536 ( 0.000 -4.396 0.000) 4.396 29.588 ( -0.000 6.954 0.000) 6.954 29.624 ( 0.000 0.135 0.000) 0.135 29.852 ( 0.000 3.435 -0.000) 3.435 29.874 ( 0.000 -1.490 0.000) 1.490 30.278 ( 0.000 -3.349 0.000) 3.349 30.833 ( 0.000 0.229 -0.000) 0.229 31.257 ( 0.000 -4.143 0.000) 4.143 31.744 ( 0.000 6.583 0.000) 6.583 31.780 ( 0.000 3.289 0.000) 3.289 31.948 ( 0.000 -1.190 0.000) 1.190 32.029 ( 0.000 -4.757 0.000) 4.757 32.139 ( 0.000 -6.599 0.000) 6.599 32.268 ( 0.000 0.271 0.000) 0.271 32.556 ( 0.000 0.060 0.000) 0.060 32.635 ( -0.000 4.579 -0.000) 4.579 32.637 ( 0.000 -1.612 0.000) 1.612 32.975 ( 0.000 1.973 0.000) 1.973 33.145 ( 0.000 -5.307 0.000) 5.307 33.288 ( 0.000 -6.555 0.000) 6.555 33.605 ( 0.000 18.027 0.000) 18.027 34.802 ( 0.000 -9.667 0.000) 9.667 38.209 ( 0.000 -3.786 0.000) 3.786 38.397 ( 0.000 -7.250 0.000) 7.250 38.524 ( 0.000 9.007 0.000) 9.007 38.906 ( 0.000 -4.156 0.000) 4.156 39.383 ( 0.000 -2.036 -0.000) 2.036 39.469 ( 0.000 11.694 0.000) 11.694 39.672 ( 0.000 4.648 0.000) 4.648 40.108 ( 0.000 6.419 0.000) 6.419 40.982 ( 0.000 -6.475 0.000) 6.475 41.254 ( 0.000 -5.520 -0.000) 5.520 41.458 ( 0.000 10.687 0.000) 10.687 42.090 ( 0.000 -1.957 0.000) 1.957 42.479 ( 0.000 0.168 0.000) 0.168 42.652 ( 0.000 -0.380 -0.000) 0.380 42.663 ( -0.000 -5.392 0.000) 5.392 43.255 ( 0.000 -7.238 0.000) 7.238 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 35.612 0.000) 35.612 1.562 ( 0.000 34.971 0.000) 34.971 2.393 ( 0.000 28.663 0.000) 28.663 2.570 ( 0.000 5.320 0.000) 5.320 2.865 ( 0.000 -3.006 0.000) 3.006 2.948 ( 0.000 7.102 0.000) 7.102 3.060 ( 0.000 -10.429 0.000) 10.429 3.119 ( 0.000 0.316 0.000) 0.316 3.165 ( 0.000 16.427 0.000) 16.427 3.363 ( 0.000 -4.165 0.000) 4.165 3.505 ( 0.000 2.155 0.000) 2.155 3.522 ( 0.000 -4.163 0.000) 4.163 3.643 ( 0.000 7.085 0.000) 7.085 3.822 ( 0.000 2.605 0.000) 2.605 3.892 ( 0.000 -8.572 0.000) 8.572 3.918 ( 0.000 -6.380 0.000) 6.380 4.060 ( 0.000 1.809 0.000) 1.809 4.277 ( 0.000 6.904 0.000) 6.904 4.316 ( 0.000 -16.443 0.000) 16.443 4.441 ( 0.000 -1.679 0.000) 1.679 4.453 ( 0.000 6.524 0.000) 6.524 4.508 ( 0.000 -4.457 0.000) 4.457 4.733 ( 0.000 -3.523 0.000) 3.523 4.842 ( 0.000 -5.133 0.000) 5.133 4.971 ( 0.000 -1.426 0.000) 1.426 5.225 ( 0.000 -2.130 0.000) 2.130 5.275 ( 0.000 3.634 0.000) 3.634 5.406 ( 0.000 3.679 0.000) 3.679 5.418 ( 0.000 6.331 0.000) 6.331 5.645 ( 0.000 3.697 0.000) 3.697 5.668 ( 0.000 9.123 0.000) 9.123 5.832 ( 0.000 -2.596 0.000) 2.596 6.030 ( 0.000 4.007 0.000) 4.007 6.096 ( 0.000 6.485 0.000) 6.485 6.159 ( 0.000 -5.629 0.000) 5.629 6.202 ( 0.000 -11.593 0.000) 11.593 6.230 ( 0.000 -0.896 0.000) 0.896 6.308 ( 0.000 3.555 0.000) 3.555 6.596 ( 0.000 -4.445 0.000) 4.445 6.728 ( 0.000 4.041 0.000) 4.041 6.838 ( 0.000 -3.252 0.000) 3.252 6.884 ( 0.000 -4.163 0.000) 4.163 7.042 ( 0.000 -2.067 0.000) 2.067 7.078 ( 0.000 -8.858 0.000) 8.858 7.201 ( 0.000 -2.250 0.000) 2.250 7.309 ( 0.000 9.355 0.000) 9.355 7.512 ( 0.000 -4.931 0.000) 4.931 7.526 ( 0.000 -4.765 0.000) 4.765 7.640 ( 0.000 2.417 0.000) 2.417 7.852 ( 0.000 -11.123 0.000) 11.123 8.019 ( 0.000 1.041 0.000) 1.041 8.169 ( 0.000 -16.083 0.000) 16.083 8.575 ( 0.000 5.863 0.000) 5.863 8.597 ( 0.000 -3.609 0.000) 3.609 8.884 ( 0.000 -2.182 0.000) 2.182 9.067 ( 0.000 -4.534 0.000) 4.534 9.069 ( 0.000 -2.864 0.000) 2.864 9.237 ( 0.000 3.438 0.000) 3.438 9.424 ( 0.000 6.012 0.000) 6.012 9.472 ( 0.000 -5.332 0.000) 5.332 9.628 ( 0.000 12.587 0.000) 12.587 9.713 ( 0.000 -6.700 0.000) 6.700 9.787 ( 0.000 3.069 0.000) 3.069 10.082 ( 0.000 -1.853 0.000) 1.853 10.105 ( 0.000 4.237 0.000) 4.237 10.411 ( 0.000 -1.340 0.000) 1.340 10.430 ( 0.000 -0.464 0.000) 0.464 10.488 ( 0.000 -6.387 0.000) 6.387 10.742 ( 0.000 -2.715 0.000) 2.715 10.970 ( 0.000 -11.603 0.000) 11.603 11.016 ( 0.000 4.338 0.000) 4.338 11.132 ( 0.000 -3.321 0.000) 3.321 11.410 ( 0.000 1.042 0.000) 1.042 11.554 ( 0.000 -2.738 0.000) 2.738 11.941 ( 0.000 2.857 0.000) 2.857 12.069 ( 0.000 -2.659 0.000) 2.659 12.189 ( 0.000 0.304 0.000) 0.304 12.242 ( 0.000 10.701 0.000) 10.701 12.464 ( 0.000 6.359 0.000) 6.359 12.649 ( 0.000 -0.028 0.000) 0.028 12.680 ( 0.000 2.112 0.000) 2.112 12.829 ( 0.000 -6.974 0.000) 6.974 13.003 ( 0.000 1.038 0.000) 1.038 13.156 ( 0.000 3.060 0.000) 3.060 13.224 ( 0.000 -2.451 0.000) 2.451 13.227 ( 0.000 -2.047 0.000) 2.047 13.527 ( 0.000 4.333 0.000) 4.333 13.717 ( 0.000 4.506 0.000) 4.506 13.883 ( 0.000 5.873 0.000) 5.873 14.170 ( 0.000 -8.551 0.000) 8.551 14.525 ( 0.000 5.976 0.000) 5.976 14.702 ( 0.000 1.964 0.000) 1.964 14.971 ( 0.000 -3.139 0.000) 3.139 14.971 ( 0.000 4.029 0.000) 4.029 15.174 ( 0.000 -1.861 0.000) 1.861 15.266 ( 0.000 9.597 0.000) 9.597 15.355 ( 0.000 1.968 0.000) 1.968 15.564 ( 0.000 -3.915 0.000) 3.915 15.704 ( 0.000 6.038 0.000) 6.038 15.983 ( 0.000 -2.016 0.000) 2.016 16.227 ( 0.000 -1.064 0.000) 1.064 16.306 ( 0.000 -12.697 0.000) 12.697 16.565 ( 0.000 -1.757 0.000) 1.757 16.633 ( 0.000 -3.746 0.000) 3.746 17.053 ( 0.000 9.834 0.000) 9.834 17.182 ( 0.000 6.626 0.000) 6.626 17.380 ( 0.000 -5.159 0.000) 5.159 17.561 ( 0.000 -4.106 0.000) 4.106 17.870 ( 0.000 9.576 0.000) 9.576 17.998 ( 0.000 1.904 0.000) 1.904 18.049 ( 0.000 -0.848 0.000) 0.848 18.150 ( 0.000 -2.696 0.000) 2.696 18.311 ( 0.000 -3.342 0.000) 3.342 18.545 ( 0.000 -7.366 0.000) 7.366 18.672 ( 0.000 4.554 0.000) 4.554 18.699 ( 0.000 -8.454 0.000) 8.454 18.837 ( 0.000 0.442 0.000) 0.442 19.105 ( 0.000 0.498 0.000) 0.498 19.273 ( 0.000 -1.749 0.000) 1.749 19.292 ( 0.000 3.749 0.000) 3.749 19.327 ( 0.000 -5.556 0.000) 5.556 19.593 ( 0.000 -0.038 0.000) 0.038 19.843 ( 0.000 2.801 0.000) 2.801 19.902 ( 0.000 -0.900 0.000) 0.900 20.013 ( 0.000 6.113 0.000) 6.113 20.177 ( 0.000 5.167 0.000) 5.167 20.479 ( 0.000 -5.271 0.000) 5.271 20.595 ( 0.000 11.957 0.000) 11.957 20.668 ( 0.000 -4.583 0.000) 4.583 21.254 ( 0.000 -4.495 0.000) 4.495 21.589 ( 0.000 7.851 0.000) 7.851 21.903 ( 0.000 0.086 0.000) 0.086 21.918 ( 0.000 -5.684 0.000) 5.684 22.054 ( 0.000 4.342 0.000) 4.342 22.115 ( 0.000 -5.196 0.000) 5.196 22.332 ( 0.000 2.820 0.000) 2.820 22.339 ( 0.000 -4.591 0.000) 4.591 22.456 ( 0.000 -2.218 0.000) 2.218 23.033 ( 0.000 3.257 0.000) 3.257 23.351 ( 0.000 -12.144 0.000) 12.144 23.714 ( 0.000 15.045 0.000) 15.045 24.551 ( 0.000 -8.366 0.000) 8.366 25.159 ( 0.000 13.519 0.000) 13.519 25.433 ( 0.000 0.777 0.000) 0.777 25.476 ( 0.000 -1.572 0.000) 1.572 25.718 ( 0.000 3.415 0.000) 3.415 25.753 ( 0.000 -0.955 0.000) 0.955 26.120 ( 0.000 -15.243 0.000) 15.243 26.624 ( 0.000 -2.280 0.000) 2.280 26.666 ( 0.000 0.590 0.000) 0.590 26.884 ( 0.000 0.316 0.000) 0.316 27.051 ( 0.000 -3.870 0.000) 3.870 27.067 ( 0.000 -2.719 0.000) 2.719 27.302 ( 0.000 -10.289 0.000) 10.289 27.632 ( 0.000 2.600 0.000) 2.600 27.727 ( 0.000 3.945 0.000) 3.945 27.813 ( 0.000 -2.453 0.000) 2.453 28.004 ( 0.000 -1.771 0.000) 1.771 28.266 ( 0.000 -3.034 0.000) 3.034 28.292 ( 0.000 -4.457 0.000) 4.457 28.403 ( 0.000 7.574 0.000) 7.574 28.622 ( 0.000 5.774 0.000) 5.774 28.848 ( 0.000 0.949 0.000) 0.949 28.890 ( 0.000 5.545 0.000) 5.545 29.097 ( 0.000 -3.834 0.000) 3.834 29.131 ( 0.000 2.268 0.000) 2.268 29.481 ( 0.000 1.960 0.000) 1.960 29.676 ( 0.000 6.563 0.000) 6.563 29.696 ( 0.000 -4.325 0.000) 4.325 29.774 ( 0.000 0.353 0.000) 0.353 30.482 ( 0.000 -3.697 0.000) 3.697 30.536 ( 0.000 -4.307 0.000) 4.307 30.828 ( 0.000 0.177 0.000) 0.177 30.833 ( 0.000 0.870 0.000) 0.870 31.331 ( 0.000 -3.998 0.000) 3.998 31.433 ( 0.000 -6.442 0.000) 6.442 31.803 ( 0.000 5.954 0.000) 5.954 31.955 ( 0.000 2.381 0.000) 2.381 32.166 ( 0.000 0.883 0.000) 0.883 32.211 ( 0.000 0.381 0.000) 0.381 32.564 ( 0.000 -1.887 0.000) 1.887 32.574 ( 0.000 -1.386 0.000) 1.386 32.744 ( 0.000 -2.214 0.000) 2.214 32.871 ( 0.000 -0.707 0.000) 0.707 33.345 ( 0.000 2.187 0.000) 2.187 33.423 ( 0.000 1.065 0.000) 1.065 33.688 ( 0.000 9.283 0.000) 9.283 34.054 ( 0.000 -2.721 0.000) 2.721 38.335 ( 0.000 3.579 0.000) 3.579 38.521 ( 0.000 -7.377 0.000) 7.377 38.620 ( 0.000 2.925 0.000) 2.925 39.103 ( 0.000 -7.663 0.000) 7.663 39.715 ( 0.000 2.437 0.000) 2.437 39.759 ( 0.000 7.343 0.000) 7.343 39.904 ( 0.000 4.792 0.000) 4.792 39.955 ( 0.000 -4.982 0.000) 4.982 40.870 ( 0.000 -3.127 0.000) 3.127 40.949 ( 0.000 -3.335 0.000) 3.335 41.608 ( 0.000 6.925 0.000) 6.925 41.816 ( 0.000 0.887 0.000) 0.887 42.287 ( 0.000 1.024 0.000) 1.024 42.399 ( 0.000 -2.585 0.000) 2.585 42.623 ( 0.000 9.820 0.000) 9.820 43.407 ( 0.000 -14.157 0.000) 14.157 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 4.742 29.164 13.156) 32.344 1.729 ( 14.666 29.454 8.537) 33.993 2.522 ( 5.706 13.179 8.780) 16.832 2.628 ( 2.012 4.898 3.916) 6.586 2.743 ( -9.564 1.946 -3.005) 10.212 2.947 ( -3.749 -0.774 -1.946) 4.294 3.035 ( -3.518 0.576 -0.320) 3.579 3.109 ( 4.675 0.469 2.098) 5.146 3.220 ( 1.312 4.410 1.575) 4.863 3.322 ( -5.685 -2.837 0.214) 6.357 3.423 ( -8.177 -2.281 -2.429) 8.830 3.492 ( -3.252 2.648 2.250) 4.759 3.663 ( 0.685 8.274 1.022) 8.365 3.740 ( -8.008 3.848 -2.246) 9.164 3.843 ( -4.002 -6.255 -6.293) 9.733 3.901 ( -3.950 -6.638 1.819) 7.936 4.175 ( 6.931 0.316 5.917) 9.119 4.227 ( -5.478 -10.279 -3.953) 12.300 4.307 ( 1.910 6.625 -1.098) 6.982 4.404 ( -2.293 -0.478 -2.740) 3.604 4.435 ( -3.271 1.438 0.227) 3.580 4.608 ( 9.175 0.563 4.796) 10.368 4.652 ( -3.232 -5.356 2.594) 6.772 4.913 ( -0.486 -4.366 1.908) 4.790 4.925 ( -3.848 1.150 -1.244) 4.204 5.240 ( -0.136 -3.200 -3.196) 4.525 5.293 ( 5.859 1.510 0.880) 6.114 5.434 ( 5.146 9.617 -0.450) 10.917 5.460 ( 2.022 5.655 2.802) 6.627 5.556 ( -5.137 4.917 -7.454) 10.302 5.655 ( -0.848 1.347 0.427) 1.648 5.885 ( 1.825 -5.021 3.065) 6.159 6.022 ( -2.796 -3.171 -2.583) 4.954 6.060 ( 0.558 2.691 0.018) 2.749 6.132 ( 1.036 -1.915 -3.637) 4.239 6.176 ( -3.310 0.869 1.526) 3.747 6.295 ( 7.087 -4.509 2.249) 8.696 6.340 ( 0.966 -2.451 4.526) 5.237 6.546 ( -0.191 -6.172 -4.933) 7.903 6.679 ( -4.677 1.323 -1.137) 4.991 6.766 ( -7.672 -1.648 -4.153) 8.878 6.859 ( -0.392 -5.140 -3.403) 6.177 6.917 ( -6.965 1.483 -3.874) 8.107 7.080 ( -5.963 -3.785 -1.900) 7.314 7.136 ( -5.377 -5.043 3.357) 8.100 7.368 ( -6.622 -4.311 -2.916) 8.423 7.461 ( -0.281 -0.554 -0.669) 0.913 7.569 ( 3.745 3.658 7.365) 9.036 7.694 ( 5.970 3.525 1.959) 7.205 7.875 ( 6.400 -5.713 -0.659) 8.605 8.128 ( 2.567 -7.420 0.299) 7.857 8.188 ( 7.743 -5.881 6.450) 11.668 8.485 ( -0.352 -0.014 -0.739) 0.819 8.688 ( -1.830 8.228 0.130) 8.430 8.854 ( -3.181 -13.586 -4.059) 14.531 8.911 ( -4.609 3.076 -3.266) 6.432 9.103 ( 0.979 1.981 -3.257) 3.936 9.316 ( 5.575 2.595 2.395) 6.600 9.438 ( 2.064 3.387 -0.132) 3.968 9.548 ( 3.496 -6.055 0.400) 7.003 9.588 ( 3.853 4.858 -8.710) 10.691 9.769 ( 1.888 2.209 5.379) 6.113 9.857 ( 4.355 -0.850 5.634) 7.172 10.013 ( -4.247 0.955 -1.511) 4.608 10.079 ( 0.995 4.278 -4.244) 6.108 10.331 ( 0.009 -5.389 -1.201) 5.521 10.426 ( -5.695 -5.385 -2.086) 8.111 10.601 ( 5.898 1.445 7.345) 9.530 10.783 ( 4.197 -2.127 0.710) 4.758 10.909 ( -3.962 -6.390 -0.053) 7.519 11.052 ( 0.205 0.124 -2.741) 2.752 11.152 ( 2.420 -3.715 4.148) 6.071 11.383 ( -2.901 1.258 -0.455) 3.194 11.518 ( -2.918 -1.631 -1.815) 3.804 11.907 ( -5.862 4.900 1.309) 7.752 12.094 ( 2.286 -2.178 0.225) 3.165 12.141 ( 0.088 1.404 -5.370) 5.551 12.220 ( -5.429 3.183 2.340) 6.715 12.485 ( 5.046 6.412 -2.354) 8.492 12.661 ( -0.649 2.623 -1.651) 3.166 12.684 ( 1.256 -0.809 2.367) 2.799 12.829 ( -1.182 -5.185 0.975) 5.407 12.956 ( -4.285 2.609 -1.129) 5.142 13.153 ( -5.303 -2.835 1.348) 6.162 13.175 ( 1.919 4.311 -0.984) 4.820 13.338 ( 6.346 -3.588 1.569) 7.457 13.536 ( 1.067 4.102 0.764) 4.307 13.692 ( 0.617 1.745 -2.950) 3.483 13.925 ( 1.969 4.385 3.948) 6.220 14.104 ( -4.301 -4.939 -2.766) 7.109 14.554 ( 2.012 3.087 0.614) 3.736 14.625 ( -4.003 1.345 -4.213) 5.965 14.967 ( -0.745 1.828 0.966) 2.198 15.043 ( 4.291 -3.235 1.967) 5.723 15.153 ( -4.087 1.506 0.896) 4.446 15.229 ( -1.729 1.522 -4.097) 4.700 15.379 ( 4.726 7.508 1.641) 9.022 15.648 ( 4.102 -3.427 4.021) 6.689 15.746 ( 3.979 5.658 1.613) 7.103 15.951 ( -0.734 -0.938 -4.621) 4.772 16.166 ( -3.119 -1.818 -3.507) 5.034 16.268 ( -2.833 -12.686 -1.888) 13.135 16.530 ( 2.411 1.908 2.493) 3.958 16.773 ( 1.426 -4.032 2.980) 5.213 16.982 ( 1.004 8.741 -1.660) 8.954 17.233 ( 0.416 5.933 1.506) 6.135 17.428 ( -0.005 -2.969 1.325) 3.251 17.519 ( -7.790 2.488 -6.183) 10.252 17.635 ( 3.816 -1.623 4.670) 6.245 17.773 ( -17.039 -3.784 -18.662) 25.552 18.039 ( -3.612 4.699 -2.412) 6.399 18.123 ( 1.342 -2.843 -0.279) 3.156 18.234 ( -3.169 -3.510 -2.407) 5.306 18.483 ( -2.096 -7.694 -4.719) 9.266 18.760 ( 4.152 5.126 1.894) 6.863 18.947 ( 19.282 1.904 15.857) 25.038 19.033 ( -2.497 -0.511 -2.993) 3.931 19.123 ( 1.740 1.442 3.475) 4.145 19.232 ( 0.887 0.763 2.403) 2.672 19.377 ( 1.953 -5.766 6.262) 8.733 19.527 ( 6.934 -2.339 9.852) 12.273 19.652 ( 8.639 0.521 10.064) 13.273 19.820 ( -2.518 1.434 1.080) 3.092 19.910 ( -0.153 -1.426 -0.162) 1.443 19.977 ( -0.874 4.619 -4.783) 6.707 20.194 ( 0.045 5.830 -0.689) 5.871 20.337 ( -4.048 -2.981 -5.457) 7.420 20.595 ( -4.551 -6.453 -4.366) 9.023 20.741 ( 6.433 12.002 9.134) 16.397 21.338 ( 4.070 -2.692 6.468) 8.102 21.521 ( -5.555 9.503 -2.917) 11.387 21.912 ( 1.448 -2.052 1.421) 2.886 21.963 ( 1.608 -3.620 2.493) 4.681 22.032 ( -1.970 2.264 -3.344) 4.493 22.094 ( -1.657 -4.653 -0.936) 5.027 22.283 ( -5.460 -4.036 -4.931) 8.391 22.381 ( 1.680 -0.409 1.087) 2.042 22.415 ( -0.336 1.507 -1.393) 2.080 22.761 ( -10.223 1.803 -10.749) 14.943 23.018 ( -15.610 -10.049 -17.081) 25.227 24.064 ( 19.746 13.578 16.382) 29.028 24.815 ( 8.259 -4.359 8.752) 12.799 25.084 ( -1.656 5.991 0.951) 6.288 25.428 ( -1.084 -0.262 0.573) 1.253 25.462 ( -1.387 -0.316 -0.639) 1.559 25.664 ( -4.817 0.596 -1.500) 5.081 25.845 ( 7.034 0.904 1.614) 7.273 26.106 ( 0.861 -14.087 -3.497) 14.540 26.556 ( -3.014 1.149 -0.589) 3.279 26.751 ( 4.745 0.288 4.606) 6.619 26.879 ( -9.907 3.209 -7.162) 12.639 27.020 ( 7.358 -2.828 2.344) 8.225 27.047 ( -0.815 -5.600 -0.704) 5.703 27.225 ( -2.049 -7.875 -4.678) 9.386 27.461 ( -4.182 2.953 -3.210) 6.043 27.642 ( -5.542 -0.278 -4.679) 7.258 27.921 ( 4.789 2.420 1.903) 5.693 28.212 ( 1.571 -5.927 -1.826) 6.398 28.274 ( 1.574 3.585 5.479) 6.734 28.346 ( 0.057 2.942 -1.412) 3.264 28.472 ( 9.587 -0.584 6.909) 11.831 28.673 ( 2.244 -2.905 8.868) 9.598 28.834 ( -0.382 2.151 -0.703) 2.295 28.920 ( 2.800 3.663 2.753) 5.370 29.068 ( -0.015 -1.329 -0.263) 1.355 29.156 ( -2.391 -1.756 1.059) 3.150 29.422 ( -6.434 2.604 -6.019) 9.187 29.630 ( 0.505 1.242 -7.007) 7.134 29.687 ( -3.139 -1.183 0.817) 3.453 29.743 ( -2.153 -0.178 -2.132) 3.035 30.133 ( -6.481 -4.506 -17.566) 19.258 30.238 ( -3.735 -2.813 -17.032) 17.662 31.179 ( 7.952 -0.531 15.073) 17.050 31.184 ( 15.045 -0.323 15.231) 21.411 31.305 ( -1.793 -2.016 1.981) 3.347 31.413 ( 2.594 -5.658 -5.368) 8.220 31.846 ( 2.420 4.888 4.519) 7.083 31.963 ( -0.773 1.316 0.922) 1.783 32.130 ( -2.833 2.433 0.942) 3.851 32.248 ( 0.909 0.523 2.156) 2.398 32.532 ( -2.442 -0.331 -1.430) 2.849 32.583 ( 0.851 -3.569 0.939) 3.788 32.778 ( 1.113 -2.588 2.362) 3.676 32.889 ( -0.087 -2.080 2.836) 3.518 33.224 ( 1.053 5.300 -15.785) 16.685 33.390 ( 3.250 0.091 -9.461) 10.004 33.767 ( -5.676 8.145 13.569) 16.813 34.045 ( -2.348 0.242 7.044) 7.429 38.313 ( -0.002 3.523 -3.369) 4.875 38.465 ( -1.376 -4.261 -5.629) 7.193 38.630 ( 0.430 0.006 0.373) 0.569 39.067 ( 0.158 -8.356 -6.894) 10.833 39.616 ( -22.404 12.257 -1.328) 25.572 39.690 ( -6.274 5.024 5.242) 9.596 39.783 ( 4.021 4.932 -3.393) 7.211 39.983 ( 4.304 2.273 0.786) 4.930 40.887 ( 0.497 -3.123 1.161) 3.369 41.081 ( 1.689 -9.503 7.456) 12.196 41.609 ( 2.497 8.757 -1.649) 9.254 41.983 ( 10.662 -7.686 5.093) 14.096 42.312 ( 2.654 1.082 0.852) 2.990 42.415 ( 2.267 -2.483 0.449) 3.392 42.633 ( -4.435 7.361 6.754) 10.931 43.369 ( -4.257 -13.962 -1.036) 14.633 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 8.778 20.203 12.739) 25.446 2.060 ( 12.041 21.000 5.323) 24.786 2.508 ( -9.172 5.314 -4.767) 11.622 2.643 ( -3.885 -0.668 -0.903) 4.044 2.729 ( -0.407 13.607 2.904) 13.920 2.920 ( -1.087 -4.490 5.904) 7.497 3.017 ( -3.441 -0.411 -1.026) 3.614 3.086 ( -7.398 -2.532 -3.076) 8.403 3.137 ( -6.886 0.602 -0.629) 6.940 3.204 ( -5.945 -8.914 1.138) 10.775 3.336 ( -2.663 0.328 -2.908) 3.957 3.394 ( -11.530 -5.444 3.061) 13.113 3.604 ( -5.654 3.555 -2.421) 7.104 3.643 ( -5.598 -3.835 -1.662) 6.986 3.756 ( 2.015 5.240 -0.471) 5.634 3.964 ( 3.858 3.072 8.748) 10.043 4.090 ( -6.119 -7.101 -1.930) 9.570 4.204 ( -2.626 -2.832 -3.765) 5.393 4.298 ( 0.592 3.398 -1.690) 3.841 4.363 ( -1.763 2.501 -2.989) 4.278 4.465 ( 2.019 4.188 5.486) 7.191 4.607 ( -1.223 -5.148 1.498) 5.499 4.779 ( -6.752 -6.558 2.344) 9.700 4.895 ( 2.159 5.193 -0.927) 5.700 5.017 ( 13.936 0.739 9.941) 17.134 5.175 ( 1.473 1.529 -5.528) 5.922 5.385 ( -3.520 5.812 -1.458) 6.949 5.453 ( 7.554 0.761 5.638) 9.456 5.487 ( 1.002 4.118 2.093) 4.726 5.547 ( 1.118 3.094 -6.093) 6.924 5.641 ( 1.338 2.359 -0.275) 2.726 5.868 ( 3.290 -4.174 -8.034) 9.633 6.003 ( -3.340 2.935 2.744) 5.225 6.055 ( 1.692 -7.138 3.310) 8.048 6.059 ( -1.034 2.533 -6.955) 7.473 6.219 ( 0.179 -2.637 2.172) 3.421 6.377 ( -2.723 -13.095 6.903) 15.052 6.420 ( 2.359 -2.325 -2.508) 4.154 6.487 ( -3.435 -2.754 -3.921) 5.896 6.578 ( -6.950 -0.421 0.234) 6.967 6.645 ( -0.430 -2.921 -0.281) 2.966 6.750 ( -3.394 -3.822 -5.066) 7.196 6.861 ( -0.175 0.854 0.584) 1.049 6.968 ( -3.483 0.576 1.185) 3.724 7.099 ( -6.537 -2.812 5.515) 9.003 7.219 ( -2.327 -5.115 -0.975) 5.703 7.474 ( 1.285 0.960 -0.592) 1.709 7.705 ( 0.957 -1.686 1.757) 2.617 7.798 ( 2.540 10.984 0.964) 11.315 7.965 ( 6.337 2.442 -1.160) 6.889 8.101 ( -2.631 -8.318 -4.256) 9.707 8.401 ( 4.659 -2.980 1.066) 5.632 8.514 ( -0.199 -8.373 1.018) 8.437 8.582 ( 1.768 10.584 1.271) 10.806 8.784 ( 1.990 -6.460 -3.268) 7.508 8.869 ( -1.490 0.470 0.748) 1.732 9.041 ( -1.548 3.413 -5.656) 6.785 9.373 ( -1.026 1.221 0.156) 1.602 9.455 ( 2.512 1.415 -3.714) 4.702 9.550 ( 4.950 -0.784 -7.230) 8.797 9.586 ( 3.041 -3.125 2.095) 4.838 9.810 ( -2.489 -2.152 -0.217) 3.298 9.877 ( 1.209 1.281 -5.631) 5.900 10.020 ( 2.321 9.378 1.551) 9.785 10.169 ( 6.153 -0.583 9.005) 10.922 10.273 ( -8.072 -3.877 -3.102) 9.477 10.375 ( 1.046 -2.509 2.437) 3.651 10.766 ( 5.362 4.772 4.792) 8.631 10.821 ( 2.402 -5.160 -3.849) 6.871 10.902 ( 2.239 -3.389 1.373) 4.287 11.037 ( 1.372 1.023 3.767) 4.137 11.214 ( -1.350 -1.470 1.850) 2.721 11.321 ( -5.339 0.203 -0.757) 5.397 11.478 ( 0.535 -0.696 0.393) 0.962 11.812 ( -7.181 4.482 -0.574) 8.484 12.069 ( -3.161 2.445 -1.170) 4.164 12.124 ( 2.095 -0.472 -1.665) 2.717 12.192 ( -0.197 -4.018 0.479) 4.052 12.515 ( 2.157 2.923 -3.092) 4.770 12.606 ( -3.015 1.899 -2.610) 4.417 12.733 ( 0.739 -0.883 1.904) 2.225 12.818 ( -0.051 -2.394 -0.388) 2.426 12.883 ( -3.193 6.690 -0.859) 7.462 13.068 ( -7.247 -3.488 -0.178) 8.045 13.190 ( 1.067 3.473 -1.441) 3.908 13.361 ( -2.634 0.623 -1.438) 3.065 13.628 ( 7.676 0.177 3.366) 8.383 13.705 ( 4.143 -1.440 -0.913) 4.481 13.966 ( -3.122 -2.830 0.301) 4.225 14.078 ( 2.564 0.811 4.247) 5.027 14.533 ( -1.174 0.563 -2.574) 2.885 14.591 ( 1.796 1.000 1.091) 2.327 14.959 ( -1.361 0.919 -0.220) 1.657 15.051 ( -2.270 0.641 -2.450) 3.401 15.121 ( -1.040 0.637 -0.081) 1.222 15.214 ( 2.787 -3.957 1.207) 4.989 15.440 ( 0.447 7.570 -0.795) 7.625 15.717 ( 1.222 -3.285 -0.832) 3.603 15.781 ( 0.884 5.702 -3.867) 6.945 15.867 ( -0.776 3.204 -5.833) 6.700 16.155 ( 2.227 -4.160 3.917) 6.133 16.230 ( -0.257 -8.265 1.395) 8.385 16.645 ( 1.582 -0.016 2.182) 2.695 16.701 ( -0.371 3.557 0.031) 3.576 17.091 ( 4.808 1.018 4.247) 6.495 17.190 ( -5.971 5.957 -7.806) 11.492 17.381 ( 5.791 -0.477 4.030) 7.072 17.431 ( -3.811 -4.483 -2.403) 6.355 17.604 ( 1.325 1.097 4.693) 4.998 17.694 ( 0.750 1.768 2.567) 3.206 18.044 ( -0.931 -2.167 -0.243) 2.371 18.111 ( 2.481 -3.390 1.822) 4.578 18.192 ( -0.406 -3.861 -1.215) 4.068 18.388 ( -2.085 -6.961 -3.008) 7.865 18.858 ( 4.879 2.647 3.108) 6.362 18.912 ( -3.466 2.454 -5.449) 6.909 19.125 ( -4.792 4.131 -2.557) 6.824 19.165 ( 1.621 5.041 4.556) 6.985 19.333 ( 0.706 -3.769 1.664) 4.180 19.507 ( 1.015 -1.930 2.440) 3.272 19.616 ( -0.013 1.394 -1.444) 2.008 19.779 ( -2.469 2.132 -1.998) 3.825 19.823 ( -4.297 -2.236 -3.596) 6.033 19.880 ( -0.404 1.539 -0.700) 1.738 19.899 ( 0.916 -0.344 -0.308) 1.026 20.212 ( 2.421 4.571 5.523) 7.567 20.324 ( 1.234 -9.493 -1.979) 9.775 20.477 ( -1.605 -3.205 -1.945) 4.078 21.040 ( 10.963 12.787 15.379) 22.808 21.171 ( -12.839 13.877 -9.292) 21.065 21.721 ( 9.244 -3.199 10.109) 14.067 21.742 ( -11.888 -5.241 -11.144) 17.117 21.996 ( -0.369 -2.593 1.534) 3.035 22.028 ( 0.664 -1.471 2.286) 2.798 22.082 ( 3.846 -1.387 4.436) 6.033 22.150 ( -1.375 -4.075 0.708) 4.359 22.384 ( -0.734 2.262 -3.309) 4.075 22.422 ( 2.076 2.459 1.474) 3.540 22.694 ( 5.254 -3.903 2.983) 7.193 22.788 ( 1.621 -5.533 -0.795) 5.820 24.518 ( 14.354 12.425 11.365) 22.126 24.621 ( -11.791 11.979 -15.588) 22.924 25.316 ( 2.504 -8.508 7.443) 11.578 25.387 ( -4.005 -1.459 -1.398) 4.486 25.467 ( 1.309 -5.403 5.161) 7.586 25.514 ( -8.573 -2.181 -3.571) 9.540 25.932 ( 4.738 0.696 -3.502) 5.933 26.053 ( 1.340 -8.261 -5.771) 10.166 26.579 ( 0.424 3.847 5.008) 6.329 26.651 ( -7.490 1.232 -3.945) 8.554 26.850 ( 2.291 1.159 0.201) 2.575 26.997 ( -1.786 -2.743 -4.142) 5.279 27.147 ( 4.218 -4.307 0.799) 6.082 27.221 ( 5.402 -6.282 1.426) 8.407 27.421 ( -0.332 2.149 1.082) 2.429 27.552 ( -0.742 1.359 -1.085) 1.891 27.972 ( 2.169 2.142 -0.127) 3.051 28.109 ( -3.712 -0.474 -7.565) 8.440 28.268 ( -0.644 -0.236 -1.164) 1.351 28.352 ( -0.366 3.988 0.995) 4.127 28.641 ( -1.418 -2.200 -0.903) 2.769 28.765 ( -0.529 1.073 1.847) 2.201 28.819 ( -4.942 -0.499 -2.355) 5.497 28.937 ( -8.576 3.336 -3.195) 9.741 29.042 ( 0.406 -2.574 1.445) 2.979 29.100 ( -2.370 -0.107 0.253) 2.386 29.261 ( 5.575 4.222 -1.650) 7.186 29.601 ( 0.685 -1.241 -2.884) 3.213 29.659 ( 0.652 1.318 1.972) 2.460 29.703 ( 1.110 -1.455 -3.357) 3.823 29.956 ( -0.167 -6.644 -3.308) 7.424 30.145 ( 4.558 -11.198 -5.302) 13.202 31.151 ( -2.920 3.281 -6.178) 7.580 31.330 ( -3.660 -4.416 -6.963) 9.021 31.474 ( 8.690 1.390 8.484) 12.224 31.592 ( 12.866 -0.504 9.922) 16.256 31.931 ( 0.090 4.520 2.001) 4.944 31.961 ( -2.066 3.300 1.776) 4.279 32.134 ( -0.384 -0.795 4.894) 4.973 32.269 ( -2.787 -1.121 2.625) 3.989 32.511 ( 0.706 0.417 1.440) 1.658 32.606 ( 0.984 -3.843 -0.125) 3.969 32.778 ( -4.605 -0.047 0.481) 4.630 32.939 ( 1.187 -5.545 3.649) 6.744 33.076 ( 4.788 5.672 -12.472) 14.514 33.284 ( 1.438 -2.052 -11.681) 11.946 33.826 ( -6.729 12.435 12.683) 18.994 34.223 ( 6.305 -2.975 13.625) 15.306 38.260 ( -0.336 2.738 -4.376) 5.173 38.377 ( -0.975 -2.636 -5.008) 5.743 38.635 ( -0.039 -1.541 0.087) 1.543 38.934 ( -2.573 -6.802 -9.647) 12.082 39.424 ( -9.883 11.062 6.045) 16.018 39.676 ( -5.305 5.513 5.859) 9.636 39.791 ( 3.472 7.611 -3.466) 9.055 40.081 ( 2.725 3.354 5.758) 7.199 40.900 ( -0.966 -3.925 1.099) 4.189 41.127 ( -1.486 -9.650 1.638) 9.900 41.635 ( 2.483 10.557 -0.496) 10.857 42.094 ( 3.913 -7.021 -3.646) 8.826 42.377 ( 4.097 1.118 1.296) 4.440 42.475 ( 6.592 -3.464 -2.140) 7.748 42.658 ( -8.698 2.142 11.872) 14.873 43.265 ( -6.911 -13.227 -2.143) 15.077 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -15.605 22.686 -21.911) 35.189 2.228 ( 4.065 9.535 9.281) 13.913 2.414 ( -0.088 2.458 5.093) 5.656 2.557 ( -0.070 4.710 -4.905) 6.801 2.675 ( -18.962 -5.607 -5.387) 20.495 2.715 ( -1.423 7.916 -1.569) 8.195 2.866 ( -7.829 0.271 -2.407) 8.195 3.136 ( 1.912 -0.458 3.170) 3.731 3.153 ( -4.608 -9.678 1.362) 10.805 3.220 ( 3.472 -0.067 2.534) 4.299 3.333 ( 3.040 -1.715 6.148) 7.069 3.353 ( -0.487 -6.384 6.145) 8.874 3.496 ( -4.476 -1.041 -1.957) 4.995 3.591 ( -1.568 2.761 1.761) 3.630 3.784 ( -1.113 1.153 0.475) 1.671 3.984 ( -6.196 -5.000 -3.658) 8.762 4.016 ( -0.356 -4.145 0.954) 4.269 4.230 ( 2.732 -0.752 0.075) 2.835 4.263 ( -0.654 3.498 -1.327) 3.798 4.316 ( 0.179 1.588 0.408) 1.650 4.512 ( -1.316 0.971 2.721) 3.175 4.585 ( -1.116 -5.419 -4.794) 7.321 4.783 ( 1.307 -0.732 7.934) 8.074 4.932 ( 1.915 -0.445 2.731) 3.365 5.151 ( 2.661 10.671 -4.127) 11.747 5.250 ( -1.201 0.357 -0.546) 1.367 5.379 ( 3.401 -1.230 3.830) 5.268 5.442 ( -1.976 3.325 -2.701) 4.717 5.561 ( 5.883 5.919 1.886) 8.556 5.627 ( 3.511 5.228 5.173) 8.150 5.675 ( 5.224 -0.038 -1.776) 5.517 5.817 ( 0.954 0.607 -0.532) 1.249 5.947 ( -2.984 -2.919 -3.801) 5.645 6.025 ( -0.734 -0.665 3.093) 3.248 6.138 ( -4.588 -4.254 -5.722) 8.479 6.179 ( 7.527 -1.096 3.503) 8.374 6.341 ( -3.839 0.231 -4.547) 5.956 6.404 ( -0.003 -0.401 0.366) 0.543 6.448 ( -5.050 0.951 2.923) 5.911 6.518 ( -0.357 -7.991 2.178) 8.290 6.625 ( -3.996 -5.082 -4.229) 7.725 6.671 ( -0.930 -6.673 -1.743) 6.960 6.868 ( 1.011 1.393 2.611) 3.128 7.025 ( 0.263 -0.418 6.093) 6.113 7.184 ( 4.666 -1.376 9.202) 10.409 7.293 ( 5.801 -2.272 6.580) 9.062 7.430 ( -3.468 0.611 -4.388) 5.627 7.617 ( -5.371 -10.055 -6.990) 13.372 7.777 ( -1.661 6.014 -4.713) 7.819 7.919 ( -3.804 3.988 -4.146) 6.897 8.016 ( -2.556 -1.642 -4.770) 5.656 8.338 ( -2.073 -0.374 -4.269) 4.761 8.573 ( 3.491 0.799 3.275) 4.853 8.758 ( 3.565 -5.317 7.552) 9.901 8.814 ( 6.939 6.434 -1.110) 9.528 8.883 ( -0.015 -3.728 1.689) 4.093 8.954 ( -0.017 2.264 -4.261) 4.825 9.274 ( -3.904 -5.712 -7.895) 10.498 9.468 ( 1.674 -3.443 1.465) 4.099 9.550 ( 3.346 -3.205 -2.684) 5.355 9.649 ( 0.179 -0.207 -0.204) 0.341 9.730 ( -2.964 2.228 -0.529) 3.746 9.842 ( 1.095 -0.312 -4.262) 4.412 10.087 ( -2.383 -2.184 -3.180) 4.534 10.143 ( 2.358 12.602 2.479) 13.058 10.350 ( 3.547 -1.397 7.534) 8.444 10.388 ( -1.499 4.357 -1.492) 4.843 10.803 ( -2.662 -4.215 -0.035) 4.985 10.818 ( 2.828 3.651 -0.927) 4.710 11.002 ( 3.928 1.171 2.785) 4.955 11.161 ( 4.507 2.174 5.081) 7.132 11.214 ( -0.532 1.371 2.351) 2.773 11.258 ( -0.364 -1.647 0.966) 1.943 11.471 ( -2.918 -1.407 -1.009) 3.393 11.704 ( -4.953 1.318 -2.414) 5.666 12.045 ( -1.306 1.430 2.405) 3.088 12.124 ( 2.481 -0.106 -2.870) 3.795 12.213 ( 1.747 -3.060 0.300) 3.537 12.469 ( -2.241 -1.870 -2.639) 3.935 12.514 ( -4.664 0.364 -2.267) 5.198 12.746 ( 1.196 0.241 -0.443) 1.298 12.833 ( 1.575 -0.177 -0.245) 1.604 12.861 ( 0.008 8.250 0.561) 8.269 12.949 ( -6.862 -3.495 -1.575) 7.860 13.161 ( -1.870 0.673 -1.390) 2.425 13.307 ( -1.398 3.892 -1.242) 4.318 13.753 ( 4.423 -0.348 -1.730) 4.762 13.765 ( 3.009 -2.221 3.218) 4.934 13.926 ( -1.754 -3.091 1.094) 3.719 14.190 ( 3.336 -4.928 4.294) 7.339 14.537 ( 2.522 2.409 1.099) 3.657 14.656 ( 3.246 1.247 3.594) 5.001 14.922 ( -1.650 0.361 -2.280) 2.837 14.999 ( -1.323 1.544 -1.366) 2.450 15.087 ( -1.474 1.531 -1.682) 2.710 15.270 ( 0.633 -3.522 -2.458) 4.341 15.388 ( -2.134 1.858 2.362) 3.685 15.640 ( -4.123 -3.069 -6.149) 8.014 15.728 ( -1.681 3.941 -2.947) 5.200 15.803 ( 0.813 13.595 -4.076) 14.216 16.242 ( 1.983 -8.138 2.835) 8.843 16.286 ( 2.760 -6.601 2.043) 7.440 16.607 ( 0.144 -2.222 -0.081) 2.228 16.784 ( -1.026 -4.220 0.689) 4.397 17.085 ( 2.267 8.025 -0.723) 8.370 17.209 ( 4.498 7.069 6.163) 10.402 17.443 ( 1.137 2.819 2.492) 3.931 17.568 ( 1.582 0.074 2.544) 2.996 17.623 ( 3.913 -2.765 4.199) 6.372 17.887 ( 11.566 -1.412 12.402) 17.016 18.005 ( 2.062 -7.588 1.884) 8.085 18.116 ( -2.822 -5.659 -3.881) 7.420 18.246 ( 4.329 -2.578 4.300) 6.624 18.384 ( 1.175 -5.364 0.734) 5.540 18.813 ( -1.866 3.614 -4.742) 6.248 18.917 ( -8.478 4.072 -11.490) 14.848 18.976 ( -0.563 1.772 0.953) 2.089 19.193 ( -7.618 2.762 -7.558) 11.081 19.247 ( -2.210 2.936 0.411) 3.697 19.358 ( -9.917 -3.777 -8.094) 13.347 19.444 ( -9.356 0.915 -7.213) 11.849 19.578 ( -3.443 -3.966 -0.790) 5.311 19.817 ( -1.005 -0.080 -1.005) 1.423 19.913 ( 1.009 -0.597 -0.643) 1.337 20.004 ( 5.693 -0.327 5.570) 7.972 20.251 ( 0.297 -1.146 -1.616) 2.004 20.342 ( 2.745 3.363 3.412) 5.521 20.499 ( 1.283 -3.822 0.735) 4.098 20.872 ( -8.544 9.942 -6.260) 14.527 21.344 ( -10.021 -4.636 -8.142) 13.719 21.417 ( 7.149 9.966 9.021) 15.225 21.940 ( 2.249 -4.405 1.226) 5.096 21.992 ( -1.838 -1.024 -0.923) 2.298 22.049 ( 3.724 1.537 5.104) 6.502 22.145 ( 0.259 -1.300 0.719) 1.508 22.311 ( 1.757 3.215 -0.049) 3.664 22.450 ( 2.606 -2.092 1.989) 3.888 22.498 ( 10.103 -4.723 11.906) 16.314 22.830 ( 8.259 0.118 7.190) 10.951 23.114 ( 21.362 -4.972 21.686) 30.844 24.125 ( -17.428 14.748 -21.788) 31.559 24.734 ( -7.187 -1.795 -8.592) 11.344 25.088 ( -6.549 6.557 -1.199) 9.344 25.397 ( -0.291 -0.736 0.524) 0.949 25.423 ( -1.502 -0.493 -0.594) 1.689 25.633 ( 2.016 -9.548 7.440) 12.272 25.892 ( 0.955 0.105 -6.446) 6.517 26.033 ( 1.841 -6.762 -2.168) 7.336 26.553 ( -2.609 -1.297 0.179) 2.919 26.617 ( -1.819 -4.093 -0.234) 4.485 26.862 ( -0.368 4.090 -1.158) 4.266 26.953 ( 2.909 6.364 0.399) 7.009 27.169 ( -0.104 -4.526 -2.396) 5.122 27.311 ( 2.741 -0.241 0.936) 2.906 27.432 ( -0.422 3.259 1.636) 3.671 27.630 ( 5.343 -0.685 5.205) 7.491 27.971 ( 0.218 2.727 -3.822) 4.700 28.023 ( 1.170 -1.106 0.243) 1.628 28.249 ( -1.661 -2.395 -1.045) 3.096 28.339 ( -2.104 0.645 -2.877) 3.622 28.414 ( -6.666 0.362 -5.904) 8.912 28.559 ( -12.725 -8.837 -12.227) 19.736 28.776 ( 0.390 5.166 0.032) 5.181 28.876 ( -0.814 -0.551 -0.127) 0.991 29.058 ( -0.752 1.769 0.380) 1.959 29.135 ( 2.835 0.656 4.588) 5.433 29.460 ( 5.258 0.650 3.773) 6.504 29.590 ( 4.415 4.620 1.652) 6.601 29.662 ( -1.398 2.145 -2.667) 3.697 29.730 ( 4.559 -1.682 5.085) 7.034 29.964 ( -1.342 0.356 -0.575) 1.503 30.156 ( 3.268 -14.771 -1.198) 15.175 31.013 ( -5.153 3.433 -9.224) 11.109 31.191 ( -1.445 -3.159 -3.996) 5.295 31.703 ( 9.040 3.468 7.031) 11.966 31.816 ( 6.663 0.354 2.807) 7.239 31.901 ( -3.158 2.551 1.993) 4.522 31.950 ( -1.433 1.203 -1.118) 2.179 32.160 ( -3.813 -1.902 1.167) 4.418 32.262 ( -1.593 -2.816 1.570) 3.597 32.554 ( 0.312 1.266 1.747) 2.180 32.604 ( 0.535 -1.236 -0.258) 1.371 32.714 ( -2.338 2.004 -0.276) 3.092 32.995 ( 3.163 -3.610 -0.771) 4.861 33.047 ( 1.345 -0.069 -0.144) 1.355 33.174 ( 0.604 -5.482 -7.701) 9.473 33.900 ( -1.712 15.574 7.773) 17.490 34.482 ( 6.411 -8.050 10.346) 14.592 38.205 ( -0.653 1.354 -2.785) 3.165 38.320 ( -0.239 -2.562 -2.713) 3.739 38.631 ( -0.496 -0.437 -0.183) 0.686 38.804 ( -1.672 -7.608 -5.165) 9.347 39.405 ( -3.431 6.733 4.306) 8.697 39.678 ( -2.703 4.691 3.469) 6.430 39.803 ( 2.515 12.020 -1.613) 12.385 40.181 ( 1.325 4.361 4.867) 6.668 40.887 ( -1.559 -4.505 0.178) 4.770 41.112 ( -1.029 -10.027 -0.410) 10.088 41.659 ( 1.030 11.052 0.172) 11.102 42.065 ( 0.528 -4.087 -4.121) 5.828 42.450 ( 3.310 0.766 1.164) 3.591 42.534 ( 7.310 -3.662 -4.565) 9.364 42.665 ( -8.933 0.415 9.594) 13.115 43.138 ( -5.846 -11.941 -2.220) 13.480 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 0.000 25.179 0.000) 25.179 2.340 ( 0.000 5.290 0.000) 5.290 2.356 ( 0.000 0.351 0.000) 0.351 2.494 ( 0.000 -15.282 0.000) 15.282 2.603 ( -0.000 5.530 -0.000) 5.530 2.714 ( 0.000 7.568 -0.000) 7.568 2.751 ( 0.000 3.560 0.000) 3.560 3.112 ( 0.000 -9.661 0.000) 9.661 3.177 ( 0.000 3.190 0.000) 3.190 3.267 ( 0.000 0.494 0.000) 0.494 3.351 ( -0.000 3.369 0.000) 3.369 3.448 ( 0.000 -6.305 -0.000) 6.305 3.453 ( 0.000 0.631 0.000) 0.631 3.633 ( 0.000 2.254 0.000) 2.254 3.739 ( 0.000 -6.206 0.000) 6.206 3.892 ( 0.000 -1.335 0.000) 1.335 4.098 ( -0.000 -1.444 -0.000) 1.444 4.119 ( 0.000 -2.315 0.000) 2.315 4.317 ( -0.000 -3.123 0.000) 3.123 4.324 ( 0.000 4.639 0.000) 4.639 4.513 ( 0.000 -3.890 -0.000) 3.890 4.552 ( 0.000 -0.280 0.000) 0.280 4.854 ( 0.000 6.070 0.000) 6.070 5.014 ( 0.000 -9.982 -0.000) 9.982 5.139 ( 0.000 14.474 0.000) 14.474 5.158 ( 0.000 -1.320 0.000) 1.320 5.425 ( -0.000 2.937 0.000) 2.937 5.440 ( 0.000 -1.112 -0.000) 1.112 5.610 ( 0.000 7.489 0.000) 7.489 5.669 ( 0.000 -0.976 0.000) 0.976 5.695 ( 0.000 5.357 -0.000) 5.357 5.892 ( 0.000 -2.309 -0.000) 2.309 5.914 ( 0.000 1.785 0.000) 1.785 6.043 ( -0.000 0.613 0.000) 0.613 6.063 ( 0.000 -5.900 -0.000) 5.900 6.256 ( 0.000 0.094 0.000) 0.094 6.317 ( 0.000 0.122 0.000) 0.122 6.352 ( -0.000 -1.088 -0.000) 1.088 6.421 ( -0.000 0.820 0.000) 0.820 6.517 ( 0.000 5.938 0.000) 5.938 6.574 ( -0.000 -6.590 0.000) 6.590 6.640 ( 0.000 -7.970 0.000) 7.970 6.906 ( 0.000 1.837 0.000) 1.837 7.093 ( 0.000 -5.353 0.000) 5.353 7.257 ( 0.000 -5.846 0.000) 5.846 7.391 ( 0.000 -0.081 0.000) 0.081 7.448 ( 0.000 1.172 0.000) 1.172 7.508 ( 0.000 -10.603 0.000) 10.603 7.681 ( 0.000 -4.180 -0.000) 4.180 7.883 ( 0.000 11.317 0.000) 11.317 7.911 ( 0.000 -6.920 0.000) 6.920 8.298 ( 0.000 2.376 0.000) 2.376 8.634 ( 0.000 3.801 -0.000) 3.801 8.815 ( 0.000 3.457 -0.000) 3.457 8.853 ( 0.000 5.127 0.000) 5.127 8.890 ( -0.000 -7.279 0.000) 7.279 8.985 ( 0.000 -3.415 0.000) 3.415 9.160 ( 0.000 -5.738 0.000) 5.738 9.511 ( 0.000 -3.304 -0.000) 3.304 9.550 ( 0.000 -8.485 0.000) 8.485 9.614 ( 0.000 3.899 0.000) 3.899 9.727 ( 0.000 2.851 0.000) 2.851 9.816 ( 0.000 -4.006 0.000) 4.006 10.015 ( 0.000 -1.369 0.000) 1.369 10.250 ( 0.000 11.532 0.000) 11.532 10.315 ( 0.000 8.533 -0.000) 8.533 10.439 ( -0.000 2.603 0.000) 2.603 10.767 ( 0.000 -6.281 0.000) 6.281 10.846 ( 0.000 3.825 0.000) 3.825 11.042 ( 0.000 3.955 0.000) 3.955 11.194 ( 0.000 4.311 0.000) 4.311 11.285 ( 0.000 1.944 0.000) 1.944 11.288 ( -0.000 -0.613 -0.000) 0.613 11.416 ( 0.000 -5.237 0.000) 5.237 11.637 ( 0.000 1.942 0.000) 1.942 12.053 ( 0.000 -0.310 0.000) 0.310 12.134 ( 0.000 -1.645 0.000) 1.645 12.230 ( 0.000 0.603 0.000) 0.603 12.423 ( 0.000 -3.844 0.000) 3.844 12.460 ( 0.000 -0.998 0.000) 0.998 12.779 ( -0.000 -0.015 0.000) 0.015 12.814 ( 0.000 -0.581 0.000) 0.581 12.868 ( 0.000 7.582 0.000) 7.582 12.887 ( 0.000 -0.959 0.000) 0.959 13.134 ( 0.000 -0.739 0.000) 0.739 13.290 ( 0.000 4.655 0.000) 4.655 13.779 ( 0.000 1.161 -0.000) 1.161 13.790 ( -0.000 -3.442 0.000) 3.442 13.934 ( 0.000 -2.685 0.000) 2.685 14.246 ( 0.000 -9.053 -0.000) 9.053 14.577 ( 0.000 3.637 0.000) 3.637 14.742 ( 0.000 0.283 0.000) 0.283 14.861 ( 0.000 3.161 0.000) 3.161 14.990 ( 0.000 -1.992 0.000) 1.992 15.056 ( 0.000 6.438 0.000) 6.438 15.207 ( 0.000 0.987 -0.000) 0.987 15.486 ( -0.000 -10.135 -0.000) 10.135 15.500 ( 0.000 0.337 0.000) 0.337 15.688 ( 0.000 6.612 0.000) 6.612 15.785 ( 0.000 15.418 0.000) 15.418 16.254 ( 0.000 -9.735 0.000) 9.735 16.340 ( 0.000 -5.180 0.000) 5.180 16.669 ( -0.000 -6.592 -0.000) 6.592 16.700 ( 0.000 -3.547 0.000) 3.547 17.140 ( 0.000 8.379 0.000) 8.379 17.278 ( 0.000 3.123 0.000) 3.123 17.443 ( 0.000 6.696 0.000) 6.696 17.621 ( 0.000 3.080 0.000) 3.080 17.710 ( 0.000 -2.284 0.000) 2.284 18.033 ( 0.000 -9.980 -0.000) 9.980 18.080 ( 0.000 0.919 -0.000) 0.919 18.233 ( 0.000 -3.939 0.000) 3.939 18.325 ( -0.000 -4.827 -0.000) 4.827 18.378 ( 0.000 -7.994 0.000) 7.994 18.607 ( 0.000 -1.170 0.000) 1.170 18.764 ( 0.000 -1.883 0.000) 1.883 18.867 ( 0.000 6.553 0.000) 6.553 19.076 ( 0.000 3.732 0.000) 3.732 19.162 ( 0.000 0.644 0.000) 0.644 19.324 ( 0.000 1.173 -0.000) 1.173 19.364 ( 0.000 3.902 0.000) 3.902 19.550 ( 0.000 -3.991 0.000) 3.991 19.801 ( 0.000 -0.684 0.000) 0.684 19.913 ( 0.000 -0.120 0.000) 0.120 20.085 ( 0.000 -2.746 0.000) 2.746 20.237 ( 0.000 -2.395 0.000) 2.395 20.409 ( 0.000 2.178 -0.000) 2.178 20.501 ( 0.000 0.828 0.000) 0.828 20.769 ( 0.000 8.264 0.000) 8.264 21.205 ( 0.000 -5.254 0.000) 5.254 21.534 ( 0.000 8.208 0.000) 8.208 21.961 ( 0.000 0.951 0.000) 0.951 21.964 ( 0.000 -6.266 0.000) 6.266 22.132 ( 0.000 -3.411 0.000) 3.411 22.138 ( -0.000 5.680 -0.000) 5.680 22.314 ( 0.000 4.195 0.000) 4.195 22.460 ( 0.000 -2.505 0.000) 2.505 22.672 ( 0.000 -8.988 -0.000) 8.988 23.060 ( 0.000 4.735 0.000) 4.735 23.559 ( 0.000 -6.357 -0.000) 6.357 23.794 ( 0.000 14.603 0.000) 14.603 24.357 ( 0.000 -5.761 0.000) 5.761 25.134 ( 0.000 12.253 0.000) 12.253 25.399 ( 0.000 -0.724 0.000) 0.724 25.409 ( 0.000 -0.329 0.000) 0.329 25.677 ( 0.000 -2.764 0.000) 2.764 25.860 ( 0.000 -4.245 0.000) 4.245 26.035 ( 0.000 -8.369 0.000) 8.369 26.538 ( -0.000 -3.878 0.000) 3.878 26.588 ( 0.000 -6.118 -0.000) 6.118 26.849 ( 0.000 7.453 0.000) 7.453 27.002 ( 0.000 9.112 0.000) 9.112 27.141 ( 0.000 -4.286 0.000) 4.286 27.319 ( 0.000 3.696 0.000) 3.696 27.449 ( 0.000 3.531 0.000) 3.531 27.708 ( 0.000 0.177 0.000) 0.177 27.972 ( 0.000 1.145 0.000) 1.145 28.068 ( 0.000 1.060 -0.000) 1.060 28.185 ( 0.000 -3.593 0.000) 3.593 28.299 ( 0.000 -3.338 0.000) 3.338 28.322 ( 0.000 -12.842 0.000) 12.842 28.375 ( 0.000 2.283 0.000) 2.283 28.781 ( 0.000 5.163 0.000) 5.163 28.863 ( 0.000 -1.543 0.000) 1.543 29.055 ( 0.000 2.634 0.000) 2.634 29.203 ( 0.000 -0.141 0.000) 0.141 29.483 ( 0.000 1.111 0.000) 1.111 29.623 ( 0.000 -0.326 0.000) 0.326 29.674 ( 0.000 1.390 -0.000) 1.390 29.837 ( 0.000 -3.130 0.000) 3.130 29.932 ( 0.000 4.723 0.000) 4.723 30.183 ( 0.000 -5.756 0.000) 5.756 30.872 ( 0.000 4.015 -0.000) 4.015 31.174 ( 0.000 -4.268 0.000) 4.268 31.850 ( 0.000 3.419 0.000) 3.419 31.854 ( -0.000 3.053 0.000) 3.053 31.912 ( 0.000 -2.579 0.000) 2.579 31.925 ( 0.000 -0.869 0.000) 0.869 32.109 ( 0.000 0.144 0.000) 0.144 32.249 ( 0.000 -2.654 0.000) 2.654 32.567 ( 0.000 1.419 0.000) 1.419 32.612 ( 0.000 -0.684 -0.000) 0.684 32.700 ( 0.000 2.572 0.000) 2.572 33.007 ( 0.000 0.078 0.000) 0.078 33.079 ( 0.000 -2.094 0.000) 2.094 33.117 ( 0.000 -9.881 -0.000) 9.881 33.940 ( 0.000 16.705 0.000) 16.705 34.603 ( 0.000 -10.386 0.000) 10.386 38.182 ( 0.000 0.733 0.000) 0.733 38.301 ( 0.000 -2.734 0.000) 2.734 38.623 ( 0.000 1.007 0.000) 1.007 38.761 ( 0.000 -9.272 0.000) 9.272 39.409 ( 0.000 5.402 -0.000) 5.402 39.681 ( 0.000 4.364 0.000) 4.364 39.813 ( 0.000 13.942 0.000) 13.942 40.224 ( 0.000 4.784 0.000) 4.784 40.874 ( 0.000 -4.541 0.000) 4.541 41.100 ( 0.000 -10.320 0.000) 10.320 41.668 ( 0.000 10.885 0.000) 10.885 42.039 ( 0.000 -3.324 0.000) 3.324 42.485 ( 0.000 0.417 0.000) 0.417 42.563 ( 0.000 -4.406 -0.000) 4.406 42.655 ( -0.000 1.178 0.000) 1.178 43.075 ( 0.000 -11.160 0.000) 11.160 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 0.000 24.707 0.000) 24.707 2.188 ( 0.000 29.841 0.000) 29.841 2.441 ( 0.000 -11.920 0.000) 11.920 2.580 ( 0.000 -8.036 0.000) 8.036 2.783 ( 0.000 -4.868 0.000) 4.868 2.801 ( 0.000 -11.844 0.000) 11.844 3.141 ( 0.000 2.361 0.000) 2.361 3.212 ( 0.000 -4.924 0.000) 4.924 3.273 ( 0.000 21.325 0.000) 21.325 3.452 ( 0.000 -2.049 0.000) 2.049 3.459 ( 0.000 -1.375 0.000) 1.375 3.602 ( 0.000 14.429 0.000) 14.429 3.633 ( 0.000 -16.591 0.000) 16.591 3.824 ( 0.000 -7.430 0.000) 7.430 3.887 ( 0.000 4.337 0.000) 4.337 3.922 ( 0.000 17.395 0.000) 17.395 4.026 ( 0.000 -12.358 0.000) 12.358 4.104 ( 0.000 -0.626 0.000) 0.626 4.349 ( 0.000 -2.511 0.000) 2.511 4.356 ( 0.000 0.932 0.000) 0.932 4.498 ( 0.000 -0.856 0.000) 0.856 4.538 ( 0.000 -4.833 0.000) 4.833 4.723 ( 0.000 3.605 0.000) 3.605 4.780 ( 0.000 3.362 0.000) 3.362 4.986 ( 0.000 7.065 0.000) 7.065 5.241 ( 0.000 -9.421 0.000) 9.421 5.252 ( 0.000 6.446 0.000) 6.446 5.395 ( 0.000 -5.576 0.000) 5.576 5.532 ( 0.000 5.476 0.000) 5.476 5.641 ( 0.000 -6.647 0.000) 6.647 5.751 ( 0.000 7.473 0.000) 7.473 5.887 ( 0.000 -0.634 0.000) 0.634 5.997 ( 0.000 -8.244 0.000) 8.244 6.003 ( 0.000 -3.240 0.000) 3.240 6.109 ( 0.000 0.538 0.000) 0.538 6.119 ( 0.000 1.045 0.000) 1.045 6.305 ( 0.000 11.273 0.000) 11.273 6.480 ( 0.000 -2.751 0.000) 2.751 6.590 ( 0.000 8.266 0.000) 8.266 6.748 ( 0.000 -6.634 0.000) 6.634 6.763 ( 0.000 0.764 0.000) 0.764 6.805 ( 0.000 -3.580 0.000) 3.580 7.054 ( 0.000 6.711 0.000) 6.711 7.057 ( 0.000 3.142 0.000) 3.142 7.167 ( 0.000 -1.197 0.000) 1.197 7.349 ( 0.000 -13.336 0.000) 13.336 7.423 ( 0.000 -0.254 0.000) 0.254 7.436 ( 0.000 -3.491 0.000) 3.491 7.656 ( 0.000 4.912 0.000) 4.912 7.826 ( 0.000 8.334 0.000) 8.334 7.837 ( 0.000 -14.559 0.000) 14.559 8.001 ( 0.000 -6.150 0.000) 6.150 8.536 ( 0.000 -3.881 0.000) 3.881 8.543 ( 0.000 -2.848 0.000) 2.848 9.018 ( 0.000 -0.351 0.000) 0.351 9.020 ( 0.000 4.001 0.000) 4.001 9.083 ( 0.000 12.032 0.000) 12.032 9.291 ( 0.000 -0.549 0.000) 0.549 9.406 ( 0.000 -1.847 0.000) 1.847 9.451 ( 0.000 -7.393 0.000) 7.393 9.604 ( 0.000 2.410 0.000) 2.410 9.732 ( 0.000 -7.617 0.000) 7.617 9.886 ( 0.000 13.099 0.000) 13.099 10.079 ( 0.000 -6.551 0.000) 6.551 10.135 ( 0.000 7.732 0.000) 7.732 10.313 ( 0.000 -9.695 0.000) 9.695 10.455 ( 0.000 3.006 0.000) 3.006 10.467 ( 0.000 2.694 0.000) 2.694 10.686 ( 0.000 -1.763 0.000) 1.763 10.758 ( 0.000 -9.301 0.000) 9.301 11.066 ( 0.000 1.471 0.000) 1.471 11.089 ( 0.000 -1.443 0.000) 1.443 11.441 ( 0.000 2.152 0.000) 2.152 11.491 ( 0.000 -3.300 0.000) 3.300 11.989 ( 0.000 2.177 0.000) 2.177 12.027 ( 0.000 -1.990 0.000) 1.990 12.249 ( 0.000 4.903 0.000) 4.903 12.327 ( 0.000 -1.654 0.000) 1.654 12.606 ( 0.000 6.835 0.000) 6.835 12.650 ( 0.000 -0.180 0.000) 0.180 12.719 ( 0.000 -2.430 0.000) 2.430 12.720 ( 0.000 1.581 0.000) 1.581 12.979 ( 0.000 -1.273 0.000) 1.273 13.060 ( 0.000 -8.596 0.000) 8.596 13.222 ( 0.000 1.540 0.000) 1.540 13.236 ( 0.000 0.725 0.000) 0.725 13.661 ( 0.000 7.156 0.000) 7.156 13.745 ( 0.000 -1.535 0.000) 1.535 13.984 ( 0.000 4.252 0.000) 4.252 14.055 ( 0.000 -4.163 0.000) 4.163 14.634 ( 0.000 5.254 0.000) 5.254 14.704 ( 0.000 -1.848 0.000) 1.848 14.946 ( 0.000 0.592 0.000) 0.592 14.983 ( 0.000 -2.494 0.000) 2.494 15.246 ( 0.000 7.864 0.000) 7.864 15.365 ( 0.000 -2.564 0.000) 2.564 15.436 ( 0.000 6.258 0.000) 6.258 15.515 ( 0.000 -0.750 0.000) 0.750 15.837 ( 0.000 8.307 0.000) 8.307 15.964 ( 0.000 0.140 0.000) 0.140 16.072 ( 0.000 -9.449 0.000) 9.449 16.138 ( 0.000 -8.145 0.000) 8.145 16.536 ( 0.000 -0.216 0.000) 0.216 16.566 ( 0.000 -3.021 0.000) 3.021 17.234 ( 0.000 9.546 0.000) 9.546 17.288 ( 0.000 3.892 0.000) 3.892 17.335 ( 0.000 -0.744 0.000) 0.744 17.426 ( 0.000 -9.323 0.000) 9.323 18.044 ( 0.000 3.049 0.000) 3.049 18.079 ( 0.000 11.895 0.000) 11.895 18.101 ( 0.000 -2.245 0.000) 2.245 18.105 ( 0.000 6.134 0.000) 6.134 18.230 ( 0.000 -5.669 0.000) 5.669 18.327 ( 0.000 -13.368 0.000) 13.368 18.635 ( 0.000 0.005 0.000) 0.005 18.678 ( 0.000 -3.506 0.000) 3.506 18.883 ( 0.000 5.930 0.000) 5.930 19.021 ( 0.000 -7.641 0.000) 7.641 19.251 ( 0.000 -0.448 0.000) 0.448 19.260 ( 0.000 -1.536 0.000) 1.536 19.425 ( 0.000 8.409 0.000) 8.409 19.554 ( 0.000 -4.607 0.000) 4.607 19.871 ( 0.000 0.595 0.000) 0.595 19.882 ( 0.000 -0.900 0.000) 0.900 20.144 ( 0.000 6.870 0.000) 6.870 20.233 ( 0.000 -1.178 0.000) 1.178 20.430 ( 0.000 1.773 0.000) 1.773 20.523 ( 0.000 -6.539 0.000) 6.539 20.891 ( 0.000 14.488 0.000) 14.488 21.123 ( 0.000 -9.757 0.000) 9.757 21.711 ( 0.000 5.337 0.000) 5.337 21.809 ( 0.000 -5.567 0.000) 5.567 21.929 ( 0.000 2.972 0.000) 2.972 22.011 ( 0.000 -5.406 0.000) 5.406 22.144 ( 0.000 5.161 0.000) 5.161 22.243 ( 0.000 -5.269 0.000) 5.269 22.388 ( 0.000 2.762 0.000) 2.762 22.428 ( 0.000 -1.533 0.000) 1.533 23.093 ( 0.000 3.353 0.000) 3.353 23.177 ( 0.000 -6.293 0.000) 6.293 24.008 ( 0.000 16.252 0.000) 16.252 24.315 ( 0.000 -15.684 0.000) 15.684 25.399 ( 0.000 6.912 0.000) 6.912 25.447 ( 0.000 -1.486 0.000) 1.486 25.494 ( 0.000 10.758 0.000) 10.758 25.771 ( 0.000 0.324 0.000) 0.324 25.772 ( 0.000 1.836 0.000) 1.836 25.801 ( 0.000 -16.719 0.000) 16.719 26.625 ( 0.000 2.123 0.000) 2.123 26.664 ( 0.000 -1.086 0.000) 1.086 26.900 ( 0.000 1.161 0.000) 1.161 26.942 ( 0.000 -4.118 0.000) 4.118 27.063 ( 0.000 0.099 0.000) 0.099 27.120 ( 0.000 -7.182 0.000) 7.182 27.678 ( 0.000 2.484 0.000) 2.484 27.728 ( 0.000 -2.718 0.000) 2.718 27.849 ( 0.000 5.161 0.000) 5.161 27.945 ( 0.000 -4.514 0.000) 4.514 28.227 ( 0.000 -1.033 0.000) 1.033 28.231 ( 0.000 -1.678 0.000) 1.678 28.569 ( 0.000 8.522 0.000) 8.522 28.669 ( 0.000 -1.356 0.000) 1.356 28.890 ( 0.000 3.450 0.000) 3.450 28.966 ( 0.000 -2.340 0.000) 2.340 29.055 ( 0.000 3.539 0.000) 3.539 29.133 ( 0.000 -2.382 0.000) 2.382 29.528 ( 0.000 3.276 0.000) 3.276 29.606 ( 0.000 -4.836 0.000) 4.836 29.768 ( 0.000 2.867 0.000) 2.867 29.786 ( 0.000 0.478 0.000) 0.478 30.427 ( 0.000 -1.245 0.000) 1.245 30.452 ( 0.000 -3.712 0.000) 3.712 30.842 ( 0.000 1.012 0.000) 1.012 30.851 ( 0.000 0.403 0.000) 0.403 31.290 ( 0.000 -0.023 0.000) 0.023 31.331 ( 0.000 -4.124 0.000) 4.124 31.907 ( 0.000 4.896 0.000) 4.896 31.972 ( 0.000 -1.392 0.000) 1.392 32.172 ( 0.000 0.005 0.000) 0.005 32.182 ( 0.000 -1.536 0.000) 1.536 32.556 ( 0.000 -0.416 0.000) 0.416 32.557 ( 0.000 -0.172 0.000) 0.172 32.754 ( 0.000 3.244 0.000) 3.244 32.829 ( 0.000 -3.671 0.000) 3.671 33.390 ( 0.000 2.411 0.000) 2.411 33.424 ( 0.000 -0.954 0.000) 0.954 33.853 ( 0.000 7.989 0.000) 7.989 33.979 ( 0.000 -5.335 0.000) 5.335 38.368 ( 0.000 1.045 0.000) 1.045 38.411 ( 0.000 -4.017 0.000) 4.017 38.747 ( 0.000 9.454 0.000) 9.454 38.935 ( 0.000 -9.941 0.000) 9.941 39.774 ( 0.000 3.848 0.000) 3.848 39.854 ( 0.000 -3.706 0.000) 3.706 39.888 ( 0.000 4.192 0.000) 4.192 39.946 ( 0.000 -0.630 0.000) 0.630 40.846 ( 0.000 0.687 0.000) 0.687 40.886 ( 0.000 -3.114 0.000) 3.114 41.728 ( 0.000 5.522 0.000) 5.522 41.804 ( 0.000 -2.391 0.000) 2.391 42.312 ( 0.000 1.691 0.000) 1.691 42.351 ( 0.000 -2.396 0.000) 2.396 42.845 ( 0.000 13.606 0.000) 13.606 43.122 ( 0.000 -15.503 0.000) 15.503 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 2.124 22.871 5.600) 23.642 2.227 ( 4.448 23.133 6.272) 24.377 2.488 ( 1.061 -12.966 0.978) 13.046 2.573 ( -0.754 -11.832 5.193) 12.943 2.741 ( -0.804 1.800 0.852) 2.148 2.845 ( 2.308 -6.856 -0.794) 7.277 3.123 ( -2.674 1.284 0.784) 3.069 3.150 ( -6.494 0.950 -3.288) 7.341 3.239 ( -5.795 9.463 -0.006) 11.096 3.401 ( -8.403 -4.250 2.287) 9.690 3.410 ( -9.466 2.375 0.760) 9.789 3.485 ( -4.119 3.546 -5.501) 7.733 3.664 ( -1.744 -6.916 -2.623) 7.599 3.716 ( -2.511 -6.619 -1.136) 7.170 3.842 ( -5.708 6.476 -0.562) 8.651 3.962 ( -4.398 1.571 2.386) 5.245 4.043 ( -0.247 -0.317 4.647) 4.664 4.158 ( 1.150 -3.849 0.434) 4.041 4.363 ( 2.041 2.013 2.047) 3.523 4.393 ( 4.101 0.334 -0.269) 4.123 4.555 ( 0.017 -0.408 4.607) 4.625 4.599 ( -3.087 -1.324 4.462) 5.585 4.730 ( 4.615 11.025 0.358) 11.958 4.806 ( 4.456 1.440 2.140) 5.149 4.937 ( -4.100 1.080 -0.450) 4.264 5.132 ( -3.807 -9.507 -1.207) 10.312 5.349 ( 7.051 5.642 1.675) 9.184 5.497 ( 6.812 -5.916 2.685) 9.414 5.553 ( -2.630 5.656 1.832) 6.501 5.622 ( -4.143 -0.551 0.389) 4.197 5.755 ( 1.041 9.515 -0.779) 9.604 5.846 ( -6.747 2.682 -2.319) 7.622 5.907 ( -4.647 -6.652 -1.432) 8.240 5.998 ( 2.504 -11.386 2.676) 11.961 6.120 ( 0.641 1.182 -1.051) 1.707 6.140 ( 0.289 -0.504 -1.567) 1.671 6.286 ( 5.173 5.110 -5.461) 9.094 6.416 ( -0.892 -7.809 -9.253) 12.141 6.510 ( -3.007 13.701 -2.701) 14.285 6.693 ( -4.697 0.069 -3.897) 6.104 6.726 ( -4.803 -3.094 0.841) 5.775 6.777 ( -2.644 -4.308 -2.793) 5.775 6.969 ( -1.644 -1.557 0.887) 2.432 6.991 ( -5.863 -3.616 -5.527) 8.832 7.079 ( -7.354 3.335 0.773) 8.112 7.210 ( -7.718 -7.270 -5.493) 11.941 7.499 ( 4.791 1.809 -0.703) 5.169 7.568 ( 7.230 -4.715 2.374) 8.952 7.753 ( 7.167 4.663 7.612) 11.448 7.872 ( 2.604 -1.196 3.618) 4.615 7.960 ( 7.265 0.147 5.911) 9.367 8.104 ( 8.382 -6.935 4.479) 11.765 8.497 ( 1.227 2.581 -2.907) 4.076 8.595 ( 3.047 -8.779 -1.930) 9.491 8.923 ( -6.250 8.881 -2.425) 11.127 9.016 ( -5.581 3.053 -3.423) 7.224 9.124 ( 5.562 6.104 -1.234) 8.350 9.315 ( 5.544 -4.714 1.600) 7.451 9.419 ( 2.800 -1.057 2.090) 3.650 9.472 ( 3.363 -6.298 -1.308) 7.258 9.632 ( 1.065 3.709 -5.467) 6.691 9.744 ( 0.027 -6.081 -4.436) 7.527 9.903 ( 1.725 7.814 6.454) 10.280 10.036 ( -3.009 -2.437 4.236) 5.739 10.140 ( 1.538 3.341 -2.205) 4.288 10.245 ( -1.460 -6.057 -5.528) 8.329 10.396 ( -1.402 7.033 -1.365) 7.300 10.581 ( 5.120 -7.251 2.356) 9.184 10.729 ( 3.259 -0.927 1.789) 3.832 10.775 ( 2.595 -4.738 1.700) 5.664 11.076 ( -0.055 2.025 -0.047) 2.026 11.111 ( 1.762 -1.548 2.866) 3.703 11.417 ( -2.673 2.309 -0.610) 3.585 11.469 ( -2.246 -3.060 -1.175) 3.974 12.004 ( -1.966 4.114 3.858) 5.973 12.054 ( 1.792 -1.923 1.248) 2.910 12.179 ( -5.247 3.869 -2.892) 7.132 12.251 ( -8.490 -1.900 -0.339) 8.707 12.610 ( 2.117 5.966 -2.215) 6.706 12.668 ( -0.116 -0.925 1.954) 2.165 12.692 ( -2.698 0.588 -1.290) 3.048 12.726 ( 1.168 -4.186 0.396) 4.364 12.984 ( -0.701 1.556 1.188) 2.079 13.061 ( -1.350 -5.898 0.536) 6.074 13.240 ( 2.335 2.933 -0.089) 3.750 13.287 ( 4.504 -2.137 1.290) 5.149 13.642 ( -0.095 5.579 -1.848) 5.878 13.706 ( -0.969 -0.981 -3.484) 3.747 13.996 ( 0.292 3.015 0.674) 3.103 14.043 ( -0.485 -2.212 -0.466) 2.312 14.609 ( -1.380 2.504 -1.878) 3.421 14.636 ( -3.880 -0.302 -3.827) 5.458 14.963 ( 1.111 0.380 0.116) 1.180 14.999 ( 1.988 -2.797 -0.250) 3.440 15.228 ( -1.568 4.960 -0.684) 5.246 15.269 ( -4.654 1.157 -2.646) 5.477 15.519 ( 5.056 5.599 1.127) 7.628 15.595 ( 4.054 -2.061 3.909) 5.998 15.857 ( 1.653 5.451 2.034) 6.048 15.938 ( -0.739 -0.620 -3.819) 3.939 16.050 ( -0.326 -6.907 -0.471) 6.931 16.098 ( -1.265 -5.445 -4.170) 6.974 16.572 ( 2.565 3.216 5.012) 6.484 16.665 ( 3.078 -6.365 7.127) 10.039 17.180 ( -2.693 10.953 -3.963) 11.955 17.303 ( -1.953 0.031 -0.988) 2.189 17.398 ( 4.835 0.068 6.030) 7.729 17.467 ( -0.904 -6.815 1.195) 6.978 17.640 ( -9.584 3.583 -9.168) 13.738 17.722 ( -14.114 -3.236 -17.216) 22.495 18.107 ( -0.779 1.712 -1.529) 2.424 18.145 ( -0.565 2.941 1.491) 3.345 18.177 ( -3.816 0.653 -4.883) 6.232 18.317 ( -3.084 -9.201 -3.763) 10.408 18.871 ( 3.264 6.228 0.416) 7.044 18.970 ( 6.839 -3.004 3.516) 8.256 19.016 ( 11.999 2.837 12.047) 17.238 19.103 ( 10.200 -4.017 12.423) 16.569 19.241 ( -1.316 0.730 1.874) 2.403 19.285 ( 0.284 -3.743 5.522) 6.678 19.546 ( 7.257 4.358 8.477) 11.980 19.631 ( 6.856 -3.279 8.426) 11.346 19.842 ( -2.785 1.177 -0.242) 3.033 19.872 ( -1.649 -2.031 -0.697) 2.707 20.091 ( -1.339 6.747 -6.576) 9.517 20.213 ( -0.628 -5.782 -4.849) 7.572 20.344 ( -4.375 6.607 -3.782) 8.780 20.474 ( -3.578 -6.693 -2.850) 8.107 20.999 ( 6.569 13.869 9.508) 18.053 21.224 ( 6.914 -9.342 8.620) 14.469 21.693 ( -3.991 8.379 -2.203) 9.539 21.830 ( 0.004 -6.161 0.788) 6.211 21.934 ( 0.586 0.459 0.925) 1.187 21.981 ( -2.378 -4.519 -2.504) 5.687 22.111 ( -2.704 4.194 -2.280) 5.486 22.195 ( -4.659 -4.632 -3.980) 7.681 22.411 ( 2.156 1.949 0.988) 3.069 22.431 ( 0.964 -0.034 0.058) 0.966 22.796 ( -13.383 2.291 -13.104) 18.870 22.866 ( -14.517 -5.745 -15.220) 21.803 24.330 ( 18.056 14.668 16.152) 28.321 24.609 ( 15.212 -14.558 16.251) 26.598 25.291 ( -7.632 13.089 -8.423) 17.336 25.418 ( -2.075 -1.250 -1.102) 2.661 25.466 ( -1.230 1.717 -0.983) 2.330 25.613 ( -7.747 -9.805 -6.819) 14.236 25.856 ( 5.060 1.242 2.791) 5.910 25.908 ( 5.195 -4.632 1.000) 7.031 26.622 ( -0.915 5.513 2.992) 6.339 26.721 ( 1.673 -3.808 5.085) 6.569 26.935 ( -7.417 2.827 -4.117) 8.941 26.965 ( 4.879 -0.535 0.605) 4.945 26.978 ( 1.909 -2.565 0.814) 3.299 27.057 ( -2.746 -8.215 -3.858) 9.482 27.533 ( -4.448 4.095 -4.121) 7.317 27.604 ( -4.733 -3.240 -3.973) 6.977 27.993 ( 5.294 4.881 1.118) 7.287 28.096 ( 4.414 -6.026 -0.270) 7.474 28.309 ( 4.638 1.258 8.841) 10.063 28.341 ( 5.256 -2.084 6.154) 8.357 28.550 ( 2.508 6.805 -1.603) 7.427 28.644 ( 0.453 -2.504 0.063) 2.545 28.891 ( 0.321 3.988 -0.169) 4.005 28.971 ( 0.529 -2.815 0.303) 2.880 29.048 ( -0.366 3.461 0.412) 3.505 29.122 ( -1.748 -2.844 0.215) 3.345 29.485 ( -4.866 4.045 -4.367) 7.688 29.571 ( -2.126 -4.828 -4.618) 7.011 29.712 ( -4.253 1.734 -3.325) 5.670 29.736 ( -4.310 -0.793 -3.678) 5.721 30.111 ( -6.969 1.805 -17.044) 18.502 30.174 ( -5.550 -4.004 -15.262) 16.726 31.171 ( 10.460 0.662 18.956) 21.661 31.190 ( 15.263 -0.553 15.772) 21.955 31.280 ( -1.074 0.352 -0.965) 1.486 31.324 ( 1.847 -3.810 -3.579) 5.545 31.929 ( 1.115 3.670 3.545) 5.223 31.973 ( -0.581 -0.774 1.839) 2.079 32.172 ( -0.972 2.331 1.622) 3.002 32.221 ( 0.855 -2.618 1.792) 3.286 32.534 ( -1.982 0.479 -0.552) 2.112 32.549 ( -0.986 -0.915 0.264) 1.371 32.767 ( -0.170 1.738 1.993) 2.650 32.828 ( -1.441 -3.968 1.554) 4.499 33.314 ( 2.173 4.222 -13.094) 13.928 33.374 ( 3.478 -2.031 -12.009) 12.667 33.909 ( -3.650 6.698 11.838) 14.083 34.009 ( -2.798 -3.830 9.495) 10.614 38.349 ( -0.678 1.293 -2.125) 2.579 38.392 ( -0.715 -3.382 -2.157) 4.074 38.715 ( 0.701 8.231 -5.411) 9.875 38.892 ( 0.648 -9.855 -7.497) 12.399 39.730 ( -10.537 2.395 0.725) 10.830 39.743 ( -10.218 0.927 5.046) 11.433 39.914 ( 2.194 6.513 1.385) 7.011 39.992 ( 3.327 -1.619 2.524) 4.479 40.865 ( -0.207 0.996 1.968) 2.215 40.930 ( -0.053 -5.971 4.481) 7.465 41.758 ( 3.884 6.997 -0.097) 8.004 41.872 ( 5.748 -5.338 2.054) 8.109 42.337 ( 2.568 1.581 0.850) 3.133 42.372 ( 2.394 -2.119 0.511) 3.238 42.825 ( -2.758 12.621 0.220) 12.921 43.090 ( -3.265 -15.071 -1.259) 15.472 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 3.390 14.636 6.122) 16.223 2.424 ( 8.740 15.549 1.448) 17.896 2.467 ( -4.358 -4.925 2.448) 7.018 2.697 ( 1.983 -6.051 2.208) 6.739 2.782 ( 1.168 0.475 5.846) 5.981 2.899 ( 2.622 -4.696 5.489) 7.685 2.988 ( -5.024 5.687 -5.009) 9.093 3.065 ( -14.501 1.805 -1.301) 14.670 3.100 ( -4.712 -1.599 -0.378) 4.990 3.190 ( -15.227 -8.436 -3.584) 17.773 3.244 ( -14.289 5.918 2.561) 15.677 3.368 ( -7.266 -2.033 -0.009) 7.545 3.563 ( -4.097 0.835 -3.743) 5.612 3.668 ( -3.016 -4.627 -2.601) 6.105 3.769 ( -4.203 2.977 1.934) 5.502 3.896 ( -6.792 -8.521 1.134) 10.956 4.090 ( 0.494 4.434 2.178) 4.965 4.164 ( 2.072 -2.421 0.892) 3.309 4.389 ( 2.475 4.401 -3.805) 6.322 4.423 ( -0.587 1.555 -1.899) 2.524 4.524 ( -3.174 -1.837 -0.976) 3.795 4.569 ( -8.128 -2.957 3.503) 9.332 4.731 ( -2.955 12.196 2.887) 12.877 4.927 ( 0.491 -2.761 0.838) 2.927 5.052 ( 12.342 2.758 9.942) 16.087 5.154 ( 0.526 -6.340 8.094) 10.295 5.421 ( -4.423 3.098 -5.343) 7.597 5.486 ( 1.995 -1.366 -1.744) 2.981 5.564 ( 7.592 5.917 1.388) 9.725 5.646 ( -0.350 8.784 4.369) 9.817 5.710 ( 1.094 -9.154 -0.966) 9.270 5.837 ( 2.286 11.546 1.605) 11.879 5.885 ( -0.448 -9.671 0.568) 9.698 6.029 ( -4.926 -3.368 2.523) 6.479 6.077 ( -3.471 -1.611 0.315) 3.840 6.124 ( -1.014 -6.751 2.874) 7.407 6.284 ( 6.089 6.061 -11.572) 14.412 6.367 ( 6.256 -2.684 -4.089) 7.941 6.471 ( 1.808 1.835 -2.175) 3.371 6.554 ( -4.418 -3.082 -5.188) 7.479 6.632 ( -7.513 -1.185 -3.959) 8.574 6.646 ( -4.942 -4.466 -4.215) 7.882 6.950 ( 0.578 6.844 1.196) 6.972 6.979 ( -0.260 1.460 4.605) 4.838 7.059 ( -5.151 -2.261 6.459) 8.565 7.098 ( 1.816 -6.197 1.321) 6.591 7.507 ( 0.078 3.104 -3.475) 4.660 7.603 ( -0.488 -6.588 -5.713) 8.734 7.930 ( 3.215 1.501 -1.287) 3.775 7.963 ( 4.478 -2.602 3.684) 6.355 8.094 ( 2.920 7.171 1.580) 7.902 8.238 ( 1.230 -8.843 1.745) 9.097 8.496 ( 4.384 2.568 -2.132) 5.510 8.577 ( 2.317 -5.984 -3.493) 7.306 8.842 ( -0.943 6.379 0.621) 6.478 8.910 ( -1.949 0.373 -1.879) 2.733 9.152 ( 2.375 11.552 -2.778) 12.116 9.379 ( -0.563 -4.371 -0.481) 4.434 9.456 ( 1.395 -4.737 -8.052) 9.446 9.468 ( -2.836 -1.994 -9.592) 10.199 9.565 ( 6.365 3.477 3.980) 8.273 9.696 ( 0.468 -8.579 -0.095) 8.592 9.959 ( 1.497 6.649 -4.974) 8.438 10.089 ( -1.281 -6.317 -4.346) 7.774 10.175 ( 2.721 4.168 10.636) 11.743 10.250 ( 0.971 -2.387 8.061) 8.463 10.394 ( 2.827 9.752 0.174) 10.155 10.633 ( 3.380 -12.465 -1.719) 13.029 10.844 ( 8.009 1.581 3.366) 8.830 10.867 ( 6.930 -0.876 0.183) 6.988 11.087 ( 0.050 4.657 3.003) 5.541 11.170 ( 0.863 -3.272 2.098) 3.981 11.351 ( -5.127 2.744 -0.580) 5.844 11.419 ( -2.059 -4.157 -0.362) 4.653 11.956 ( -9.060 8.495 -0.089) 12.420 12.065 ( -2.245 -2.681 -2.094) 4.076 12.123 ( 0.699 0.307 1.084) 1.325 12.147 ( -5.334 -1.731 3.386) 6.550 12.564 ( -4.056 2.482 -2.800) 5.519 12.610 ( -5.118 -1.577 -2.558) 5.935 12.717 ( 3.359 0.737 1.947) 3.952 12.765 ( 2.188 -3.303 1.078) 4.106 12.984 ( -0.773 2.904 0.474) 3.042 13.018 ( -4.008 -1.716 -0.923) 4.457 13.256 ( 0.282 4.430 -1.466) 4.675 13.339 ( 1.559 -3.282 -1.249) 3.841 13.659 ( 4.613 2.363 0.616) 5.219 13.688 ( 3.582 -0.675 -1.440) 3.919 13.968 ( -3.225 3.253 -1.210) 4.738 14.051 ( 0.563 -3.917 0.232) 3.964 14.558 ( -0.627 1.860 -0.941) 2.177 14.589 ( 0.814 -1.115 0.504) 1.470 14.964 ( 0.120 1.230 -1.390) 1.860 15.015 ( 1.017 -3.410 -1.280) 3.782 15.187 ( -2.276 2.599 -1.244) 3.672 15.200 ( -1.848 1.591 -0.778) 2.559 15.540 ( -1.315 4.580 -4.365) 6.462 15.651 ( 0.194 -4.945 -2.712) 5.644 15.869 ( -0.186 5.050 -1.881) 5.392 15.922 ( 3.398 0.852 1.807) 3.942 16.072 ( 1.652 -3.843 -0.290) 4.193 16.081 ( 2.906 -5.681 1.664) 6.595 16.668 ( -1.274 3.312 3.374) 4.896 16.733 ( -1.933 -1.559 3.018) 3.909 17.167 ( 3.401 6.731 3.829) 8.458 17.301 ( -0.350 -3.688 2.606) 4.529 17.314 ( -2.491 3.766 -4.550) 6.411 17.406 ( 1.601 -1.649 -0.223) 2.309 17.609 ( 2.609 1.613 4.742) 5.647 17.678 ( 1.240 -3.628 2.199) 4.420 18.011 ( -3.950 -0.663 -5.827) 7.071 18.034 ( -2.800 -3.088 -4.926) 6.453 18.190 ( 1.336 2.214 2.568) 3.644 18.263 ( 0.031 -5.609 0.788) 5.664 18.914 ( 2.721 2.664 0.010) 3.808 18.939 ( -0.373 0.200 -3.131) 3.160 19.190 ( -2.516 2.978 -0.564) 3.939 19.254 ( -0.060 -4.026 1.438) 4.275 19.275 ( 0.879 6.874 6.605) 9.574 19.413 ( 0.540 -7.071 6.200) 9.420 19.683 ( -5.628 5.052 -6.604) 10.041 19.766 ( -8.281 -3.197 -9.079) 12.698 19.823 ( 2.430 1.630 4.064) 5.007 19.858 ( 2.097 -1.907 3.438) 4.456 19.990 ( 1.941 7.141 -3.316) 8.109 20.144 ( 3.479 -9.132 -1.126) 9.837 20.307 ( 0.973 5.322 1.583) 5.637 20.403 ( -0.778 -4.653 -0.882) 4.799 21.283 ( 6.491 13.216 9.407) 17.472 21.406 ( -4.952 8.455 -3.677) 10.465 21.582 ( -0.301 -9.014 3.651) 9.730 21.631 ( -7.651 -6.868 -5.458) 11.641 21.972 ( 1.300 0.314 3.577) 3.819 21.997 ( 2.558 -1.854 4.689) 5.654 22.067 ( 0.916 0.210 1.367) 1.659 22.092 ( -1.300 -2.172 -0.301) 2.549 22.420 ( -0.596 2.027 -2.669) 3.404 22.450 ( 0.871 -0.298 -0.493) 1.044 22.658 ( 4.066 0.604 2.367) 4.744 22.703 ( 4.468 -3.596 2.801) 6.383 24.740 ( 11.648 10.700 10.044) 18.736 24.835 ( -6.749 6.157 -8.464) 12.454 25.143 ( 3.482 -2.827 4.409) 6.289 25.293 ( -7.784 -10.366 -7.010) 14.737 25.436 ( -1.466 0.095 -0.389) 1.519 25.456 ( -3.154 -2.460 -1.965) 4.456 25.915 ( 2.187 0.139 -2.119) 3.048 25.955 ( 2.261 -3.088 -2.335) 4.483 26.640 ( -4.836 2.737 1.634) 5.792 26.669 ( -8.806 -0.125 -2.659) 9.199 26.909 ( 2.931 5.239 5.487) 8.133 26.993 ( 2.219 1.234 0.899) 2.693 27.045 ( 4.118 -5.373 1.531) 6.940 27.096 ( 7.782 -6.340 1.800) 10.198 27.478 ( -0.407 3.686 0.014) 3.708 27.540 ( -0.393 -2.402 -0.503) 2.485 28.024 ( 1.643 3.133 -1.737) 3.941 28.079 ( -0.451 -2.549 -4.222) 4.953 28.313 ( -1.798 4.185 -5.071) 6.816 28.376 ( -1.116 -1.523 -2.450) 3.093 28.631 ( -2.539 1.745 -1.393) 3.381 28.703 ( -3.422 -5.043 -0.341) 6.104 28.868 ( -2.674 4.195 -1.679) 5.251 28.946 ( -4.818 -3.530 -2.522) 6.483 29.048 ( -0.144 3.388 1.928) 3.900 29.093 ( -1.949 -1.139 0.418) 2.296 29.373 ( 7.959 7.726 -2.016) 11.274 29.537 ( 10.200 -8.017 -1.319) 13.040 29.638 ( -2.724 -1.410 -2.331) 3.852 29.651 ( -0.181 -1.631 0.758) 1.808 29.919 ( -3.709 3.888 -4.687) 7.131 30.020 ( -2.462 -5.580 -4.978) 7.872 31.208 ( -1.709 2.781 -5.722) 6.588 31.261 ( -1.904 -3.053 -5.896) 6.907 31.511 ( 10.964 2.622 10.057) 15.108 31.563 ( 12.317 -2.528 10.541) 16.408 32.000 ( -0.816 2.480 3.333) 4.234 32.013 ( -0.763 1.331 4.492) 4.747 32.150 ( -3.637 2.794 1.354) 4.782 32.221 ( -3.608 -3.795 1.294) 5.393 32.523 ( 0.762 1.041 1.550) 2.016 32.552 ( 0.486 -2.079 1.264) 2.481 32.781 ( -2.260 0.974 2.038) 3.195 32.833 ( -1.202 -4.691 2.939) 5.664 33.174 ( 3.038 4.598 -13.799) 14.859 33.243 ( 2.129 -2.741 -14.262) 14.678 34.022 ( -2.370 8.530 13.231) 15.919 34.149 ( 1.525 -5.165 13.132) 14.193 38.302 ( -0.812 1.990 -3.436) 4.053 38.343 ( -0.753 -2.005 -3.560) 4.154 38.651 ( 0.177 4.396 -5.113) 6.746 38.781 ( -0.374 -8.406 -9.593) 12.760 39.600 ( -9.547 7.191 4.417) 12.742 39.690 ( -6.665 -2.398 4.842) 8.579 39.980 ( 2.529 9.430 3.392) 10.335 40.094 ( 2.822 -2.443 6.085) 7.139 40.870 ( -1.847 1.075 1.036) 2.376 40.952 ( -2.028 -7.666 1.534) 8.077 41.815 ( 3.245 8.524 0.009) 9.121 41.960 ( 3.610 -7.206 -0.192) 8.062 42.399 ( 3.979 1.214 1.035) 4.287 42.426 ( 4.182 -1.824 0.186) 4.567 42.779 ( -4.358 9.879 1.057) 10.849 43.006 ( -5.129 -13.626 -1.960) 14.690 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -16.573 11.706 -12.867) 24.026 2.338 ( -7.212 -3.876 0.049) 8.188 2.478 ( -2.423 11.410 -5.845) 13.047 2.598 ( -21.806 -0.122 -2.452) 21.944 2.663 ( 0.603 4.177 -0.017) 4.220 2.786 ( -2.150 -8.090 1.462) 8.498 2.922 ( 0.403 9.127 -6.153) 11.015 3.067 ( -4.943 -1.899 1.764) 5.581 3.122 ( -3.415 -0.485 6.913) 7.726 3.172 ( 0.890 -3.458 10.193) 10.800 3.238 ( 10.796 -0.766 9.611) 14.475 3.302 ( -2.316 -5.300 3.907) 6.980 3.481 ( -1.222 3.509 -3.275) 4.953 3.617 ( -0.931 -6.354 -1.308) 6.553 3.718 ( -4.999 -0.431 -0.399) 5.033 3.800 ( -5.931 -7.382 -2.016) 9.682 4.118 ( 2.191 6.828 0.180) 7.173 4.206 ( 1.605 -2.332 -1.179) 3.066 4.381 ( 0.384 4.806 0.165) 4.824 4.397 ( 0.586 4.201 -0.862) 4.328 4.461 ( -1.710 -2.284 -2.615) 3.870 4.480 ( -3.460 -6.002 -0.119) 6.929 4.801 ( 0.371 6.971 8.292) 10.839 4.938 ( -0.027 -2.970 0.253) 2.981 5.207 ( -5.079 -1.719 1.221) 5.499 5.244 ( -2.047 -3.078 3.301) 4.956 5.380 ( 7.990 7.001 0.889) 10.660 5.495 ( 4.226 -1.341 -1.180) 4.588 5.711 ( 5.988 5.763 6.664) 10.653 5.733 ( 3.409 9.302 2.578) 10.237 5.798 ( 3.696 -1.197 2.569) 4.657 5.820 ( 0.992 9.197 -3.205) 9.790 5.892 ( -0.018 -3.036 1.203) 3.265 5.997 ( -5.150 -6.412 4.690) 9.468 6.055 ( -1.859 -0.493 0.612) 2.018 6.164 ( -0.382 -13.665 5.633) 14.785 6.228 ( 6.330 6.148 -7.988) 11.903 6.395 ( 3.632 -5.516 -7.392) 9.913 6.429 ( -1.908 0.158 -6.829) 7.092 6.482 ( -2.313 3.328 2.016) 4.527 6.516 ( -1.706 -5.420 -2.210) 6.097 6.566 ( -2.506 -3.659 1.782) 4.779 6.922 ( -2.962 4.310 2.470) 5.784 7.008 ( -5.245 -2.859 3.304) 6.826 7.190 ( 7.566 2.442 7.109) 10.665 7.248 ( 7.079 -2.754 7.652) 10.782 7.404 ( -6.285 -2.193 -8.170) 10.538 7.430 ( -4.821 -5.839 -7.268) 10.495 7.868 ( -4.289 3.942 -8.290) 10.131 7.923 ( -3.923 -1.729 -4.797) 6.433 8.097 ( -0.822 6.571 -1.682) 6.833 8.241 ( -0.163 -8.675 0.230) 8.680 8.551 ( 4.706 2.072 0.076) 5.142 8.647 ( 7.035 -7.215 -0.745) 10.105 8.871 ( -0.054 3.165 2.184) 3.846 8.921 ( 1.728 -0.862 1.144) 2.244 9.136 ( 2.812 15.480 -4.285) 16.306 9.254 ( -4.161 3.501 -4.960) 7.361 9.369 ( -0.014 -6.538 -2.433) 6.976 9.437 ( 1.806 -8.427 -1.535) 8.754 9.668 ( 2.029 1.650 0.630) 2.690 9.710 ( 0.707 -2.939 0.482) 3.061 9.878 ( -2.728 3.359 -5.562) 7.047 9.970 ( -5.133 -6.838 -4.086) 9.477 10.336 ( 1.099 2.061 4.919) 5.446 10.347 ( 1.753 2.556 4.794) 5.709 10.494 ( 7.016 9.167 3.806) 12.155 10.679 ( 3.613 -8.488 0.328) 9.231 10.943 ( 4.694 6.740 -1.980) 8.449 11.014 ( 8.672 -0.754 2.861) 9.163 11.161 ( 2.239 0.488 4.518) 5.066 11.207 ( 1.978 -2.828 2.516) 4.271 11.287 ( -3.322 4.302 1.091) 5.544 11.385 ( -2.997 -5.944 -0.518) 6.677 11.817 ( -7.123 8.927 -1.544) 11.524 11.981 ( -4.193 -7.355 -0.754) 8.499 12.139 ( -0.722 1.330 0.257) 1.535 12.171 ( 0.780 -1.807 2.565) 3.233 12.460 ( -4.635 1.154 -2.445) 5.366 12.497 ( -5.358 -2.019 -2.072) 6.089 12.772 ( 1.620 2.164 0.255) 2.715 12.810 ( 2.124 -1.651 0.591) 2.755 12.938 ( -3.219 2.320 -1.553) 4.261 12.981 ( -0.806 0.509 0.266) 0.990 13.220 ( -1.325 6.528 -1.667) 6.867 13.326 ( 0.007 -2.666 -1.427) 3.024 13.745 ( 5.078 0.926 -1.128) 5.284 13.756 ( 4.654 -0.006 1.319) 4.837 13.910 ( -3.024 2.718 0.649) 4.117 14.045 ( -0.652 -9.563 -0.323) 9.591 14.599 ( 3.217 3.627 2.669) 5.534 14.653 ( 3.390 -1.743 3.461) 5.149 14.943 ( 0.096 2.526 -1.642) 3.015 14.998 ( -0.821 -1.622 -1.271) 2.218 15.152 ( -0.966 2.076 0.100) 2.292 15.191 ( 1.332 -2.500 -0.118) 2.835 15.397 ( -6.377 2.922 -6.470) 9.543 15.528 ( -5.155 -8.196 -7.554) 12.280 15.880 ( 0.429 10.388 1.189) 10.465 16.023 ( 4.442 5.323 2.174) 7.266 16.083 ( 0.244 -6.539 -0.957) 6.613 16.154 ( 4.557 -6.009 2.303) 7.886 16.622 ( -3.181 3.804 -0.617) 4.997 16.710 ( -4.328 -4.365 -1.039) 6.234 17.235 ( 2.878 7.206 1.987) 8.010 17.317 ( -0.138 -0.009 2.274) 2.278 17.503 ( 12.882 6.931 14.882) 20.868 17.555 ( -3.936 -0.706 -3.198) 5.120 17.610 ( 2.749 0.716 2.521) 3.798 17.749 ( 11.365 -10.772 10.493) 18.850 17.940 ( 0.395 -0.386 -0.736) 0.920 17.992 ( 0.271 -5.367 -0.702) 5.419 18.250 ( 1.932 1.808 1.878) 3.244 18.301 ( 1.033 -3.516 1.271) 3.878 18.880 ( -3.350 3.675 -5.898) 7.715 18.936 ( -1.752 -1.805 -4.479) 5.137 19.061 ( -7.610 6.134 -7.018) 12.033 19.164 ( -9.187 -4.413 -7.734) 12.794 19.335 ( -3.095 4.642 0.523) 5.604 19.356 ( -5.683 1.867 -5.442) 8.087 19.439 ( -6.779 -0.722 -3.773) 7.792 19.489 ( -5.684 -4.992 -1.603) 7.732 19.841 ( -0.498 2.385 -0.176) 2.442 19.891 ( 0.900 -2.309 1.160) 2.736 20.041 ( 2.978 5.046 -0.711) 5.902 20.167 ( 1.526 -6.989 -3.243) 7.854 20.392 ( 3.086 2.564 4.107) 5.741 20.441 ( 2.341 -2.617 2.587) 4.361 21.063 ( -9.904 9.711 -7.227) 15.641 21.226 ( -10.715 -7.575 -8.944) 15.880 21.627 ( 5.473 11.242 6.686) 14.179 21.814 ( 2.849 -8.457 2.815) 9.357 22.005 ( -0.903 1.744 -0.317) 1.990 22.046 ( 1.057 -2.058 2.020) 3.072 22.171 ( 5.840 4.881 6.208) 9.822 22.305 ( 9.632 -8.085 10.445) 16.348 22.392 ( 0.607 2.891 -1.328) 3.239 22.448 ( 1.284 -2.363 0.178) 2.695 22.889 ( 12.825 5.464 14.229) 19.920 23.006 ( 17.235 -6.390 18.477) 26.063 24.411 ( -17.420 14.639 -20.685) 30.751 24.636 ( -17.561 -8.683 -17.823) 26.485 25.232 ( 6.716 8.342 7.067) 12.831 25.373 ( 2.647 -3.395 3.593) 5.607 25.414 ( -1.086 -0.256 -0.395) 1.183 25.454 ( 3.812 -7.401 4.698) 9.559 25.877 ( -1.437 -0.075 -4.466) 4.692 25.920 ( -1.030 -4.493 -3.400) 5.728 26.531 ( -3.994 0.224 -2.295) 4.611 26.560 ( -4.760 -2.506 -1.592) 5.610 26.966 ( 1.351 6.230 -0.029) 6.375 27.077 ( 0.666 -5.385 -1.603) 5.657 27.130 ( 5.587 10.128 7.384) 13.723 27.274 ( 5.841 -4.484 6.948) 10.124 27.497 ( 0.698 4.012 1.529) 4.350 27.582 ( 3.647 -4.320 3.560) 6.681 28.010 ( -0.453 1.368 -4.452) 4.679 28.025 ( 1.860 0.201 -1.832) 2.618 28.243 ( -2.280 2.682 -2.606) 4.380 28.319 ( -2.707 -3.391 -3.606) 5.641 28.381 ( -10.367 -0.441 -10.424) 14.708 28.438 ( -10.111 -5.076 -13.079) 17.293 28.855 ( -0.070 3.242 0.658) 3.309 28.887 ( -1.742 0.267 -0.158) 1.769 29.085 ( 0.476 1.434 1.512) 2.137 29.118 ( 1.636 -1.743 2.789) 3.673 29.510 ( 2.723 4.500 1.870) 5.582 29.600 ( 1.056 -3.874 -0.363) 4.032 29.716 ( 2.885 2.674 -0.781) 4.010 29.741 ( 5.335 2.316 4.206) 7.177 29.929 ( -0.550 -4.868 -0.318) 4.909 29.940 ( 8.331 -4.628 6.239) 11.391 31.085 ( -4.274 3.752 -7.494) 9.408 31.143 ( -2.267 -2.463 -5.425) 6.375 31.757 ( 9.461 2.849 5.350) 11.236 31.805 ( 8.340 -1.783 3.986) 9.414 31.952 ( -5.681 3.324 -0.264) 6.588 31.989 ( -5.533 0.585 0.355) 5.576 32.136 ( -2.321 0.403 1.227) 2.656 32.190 ( -2.409 -4.344 1.572) 5.210 32.578 ( 1.525 0.994 2.616) 3.187 32.589 ( 1.368 -0.402 1.905) 2.380 32.759 ( -2.351 3.355 0.836) 4.181 32.860 ( -0.641 -7.469 2.830) 8.013 33.081 ( 2.245 1.931 -7.006) 7.606 33.113 ( 1.301 -1.788 -9.467) 9.722 34.152 ( 0.383 11.342 8.667) 14.280 34.333 ( 2.895 -8.299 9.243) 12.755 38.249 ( -0.533 2.851 -2.999) 4.172 38.293 ( -0.437 -1.401 -2.649) 3.028 38.606 ( -0.269 0.112 -1.769) 1.793 38.669 ( -0.769 -6.079 -6.257) 8.757 39.556 ( -4.133 7.988 3.388) 9.610 39.671 ( -3.043 -3.780 3.000) 5.705 40.057 ( 1.911 12.035 3.017) 12.554 40.202 ( 1.669 -2.948 5.118) 6.138 40.845 ( -1.916 0.534 -0.070) 1.990 40.927 ( -1.801 -8.167 -0.356) 8.371 41.843 ( 1.034 8.350 -0.271) 8.418 41.973 ( 0.748 -5.741 -1.661) 6.023 42.464 ( 3.174 0.738 0.553) 3.305 42.484 ( 3.642 -1.650 -0.536) 4.034 42.735 ( -3.732 6.866 1.443) 7.947 42.911 ( -4.213 -11.428 -1.512) 12.273 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.000 16.904 0.000) 16.904 2.200 ( 0.000 -15.228 0.000) 15.228 2.420 ( 0.000 5.349 0.000) 5.349 2.440 ( 0.000 3.822 0.000) 3.822 2.709 ( 0.000 3.727 0.000) 3.727 2.780 ( 0.000 -1.998 0.000) 1.998 2.885 ( -0.000 11.838 0.000) 11.838 3.034 ( 0.000 0.074 0.000) 0.074 3.175 ( 0.000 -8.843 -0.000) 8.843 3.179 ( -0.000 -4.501 0.000) 4.501 3.376 ( -0.000 2.467 0.000) 2.467 3.433 ( 0.000 -1.923 0.000) 1.923 3.450 ( -0.000 5.676 0.000) 5.676 3.604 ( 0.000 -9.078 0.000) 9.078 3.652 ( -0.000 0.759 -0.000) 0.759 3.714 ( 0.000 -7.889 0.000) 7.889 4.152 ( -0.000 4.690 -0.000) 4.690 4.189 ( 0.000 0.438 0.000) 0.438 4.382 ( 0.000 7.645 0.000) 7.645 4.400 ( 0.000 2.313 0.000) 2.313 4.436 ( 0.000 -1.906 0.000) 1.906 4.471 ( 0.000 -6.348 0.000) 6.348 4.888 ( 0.000 -0.986 -0.000) 0.986 4.923 ( 0.000 -0.835 0.000) 0.835 5.142 ( 0.000 2.053 0.000) 2.053 5.227 ( 0.000 -4.541 0.000) 4.541 5.492 ( -0.000 4.896 -0.000) 4.896 5.516 ( 0.000 5.846 0.000) 5.846 5.755 ( 0.000 9.697 -0.000) 9.697 5.762 ( -0.000 8.773 0.000) 8.773 5.851 ( 0.000 8.337 0.000) 8.337 5.865 ( 0.000 -0.804 0.000) 0.804 5.944 ( 0.000 -0.398 0.000) 0.398 5.949 ( -0.000 -4.453 -0.000) 4.453 6.073 ( 0.000 -1.185 -0.000) 1.185 6.215 ( 0.000 -10.440 0.000) 10.440 6.253 ( 0.000 -2.892 0.000) 2.892 6.299 ( 0.000 -6.157 0.000) 6.157 6.377 ( 0.000 0.433 0.000) 0.433 6.473 ( 0.000 -7.425 0.000) 7.425 6.506 ( -0.000 2.466 0.000) 2.466 6.571 ( 0.000 -3.507 0.000) 3.507 6.930 ( 0.000 1.302 0.000) 1.302 6.977 ( 0.000 -4.596 0.000) 4.596 7.196 ( 0.000 4.140 0.000) 4.140 7.319 ( 0.000 -6.421 0.000) 6.421 7.374 ( 0.000 0.210 0.000) 0.210 7.434 ( 0.000 -5.161 0.000) 5.161 7.728 ( 0.000 5.847 -0.000) 5.847 7.823 ( 0.000 -4.043 0.000) 4.043 8.083 ( 0.000 9.364 0.000) 9.364 8.242 ( 0.000 -7.313 0.000) 7.313 8.602 ( 0.000 -0.387 0.000) 0.387 8.684 ( 0.000 -9.206 0.000) 9.206 8.897 ( -0.000 2.352 -0.000) 2.352 8.910 ( 0.000 -0.169 0.000) 0.169 9.170 ( 0.000 5.475 0.000) 5.475 9.177 ( -0.000 15.056 0.000) 15.056 9.374 ( 0.000 -8.160 0.000) 8.160 9.442 ( 0.000 -5.553 0.000) 5.553 9.671 ( 0.000 2.035 0.000) 2.035 9.718 ( 0.000 -2.949 0.000) 2.949 9.802 ( 0.000 2.638 0.000) 2.638 9.901 ( 0.000 -7.610 0.000) 7.610 10.374 ( 0.000 1.449 0.000) 1.449 10.378 ( 0.000 2.099 0.000) 2.099 10.615 ( -0.000 8.155 -0.000) 8.155 10.691 ( 0.000 -2.148 0.000) 2.148 10.963 ( 0.000 9.106 0.000) 9.106 11.111 ( 0.000 -0.162 0.000) 0.162 11.207 ( 0.000 -3.447 0.000) 3.447 11.260 ( 0.000 -4.062 0.000) 4.062 11.279 ( 0.000 3.752 0.000) 3.752 11.342 ( 0.000 -3.017 0.000) 3.017 11.749 ( 0.000 9.673 0.000) 9.673 11.947 ( 0.000 -9.810 0.000) 9.810 12.130 ( 0.000 1.475 0.000) 1.475 12.190 ( 0.000 -4.065 0.000) 4.065 12.405 ( 0.000 1.446 0.000) 1.446 12.440 ( 0.000 -1.624 0.000) 1.624 12.790 ( 0.000 1.835 0.000) 1.835 12.815 ( 0.000 -0.232 0.000) 0.232 12.911 ( 0.000 3.546 0.000) 3.546 12.975 ( 0.000 -0.613 0.000) 0.613 13.199 ( 0.000 8.068 0.000) 8.068 13.316 ( 0.000 -2.568 0.000) 2.568 13.778 ( 0.000 2.250 0.000) 2.250 13.791 ( 0.000 0.614 0.000) 0.614 13.902 ( 0.000 0.617 0.000) 0.617 14.039 ( 0.000 -11.952 -0.000) 11.952 14.651 ( 0.000 3.929 0.000) 3.929 14.715 ( 0.000 -2.764 0.000) 2.764 14.934 ( 0.000 4.127 0.000) 4.127 14.977 ( 0.000 -0.036 0.000) 0.036 15.173 ( 0.000 -1.455 0.000) 1.455 15.190 ( -0.000 4.056 -0.000) 4.056 15.297 ( 0.000 -3.913 0.000) 3.913 15.412 ( 0.000 -8.217 0.000) 8.217 15.891 ( 0.000 11.381 0.000) 11.381 16.060 ( 0.000 10.208 -0.000) 10.208 16.081 ( 0.000 -7.484 0.000) 7.484 16.223 ( 0.000 -6.547 0.000) 6.547 16.612 ( 0.000 -0.379 0.000) 0.379 16.634 ( 0.000 -2.693 0.000) 2.693 17.305 ( 0.000 6.289 0.000) 6.289 17.313 ( 0.000 1.413 0.000) 1.413 17.470 ( 0.000 0.207 0.000) 0.207 17.596 ( 0.000 -7.649 0.000) 7.649 17.794 ( 0.000 10.144 -0.000) 10.144 17.917 ( 0.000 -1.159 0.000) 1.159 18.082 ( -0.000 -3.508 -0.000) 3.508 18.114 ( -0.000 -6.709 -0.000) 6.709 18.233 ( 0.000 -2.619 0.000) 2.619 18.257 ( 0.000 -2.753 0.000) 2.753 18.652 ( 0.000 4.208 0.000) 4.208 18.726 ( 0.000 -3.081 0.000) 3.081 18.989 ( 0.000 5.943 0.000) 5.943 19.075 ( 0.000 -2.970 0.000) 2.970 19.258 ( 0.000 7.153 0.000) 7.153 19.338 ( 0.000 -0.495 0.000) 0.495 19.401 ( 0.000 0.763 0.000) 0.763 19.453 ( 0.000 -5.428 0.000) 5.428 19.836 ( 0.000 3.972 0.000) 3.972 19.907 ( 0.000 -2.071 0.000) 2.071 20.057 ( 0.000 1.636 0.000) 1.636 20.146 ( 0.000 -6.180 0.000) 6.180 20.446 ( 0.000 1.764 0.000) 1.764 20.479 ( 0.000 -1.829 -0.000) 1.829 20.945 ( 0.000 8.940 0.000) 8.940 21.092 ( 0.000 -6.836 0.000) 6.836 21.697 ( 0.000 8.508 0.000) 8.508 21.841 ( 0.000 -6.944 0.000) 6.944 21.996 ( 0.000 2.796 0.000) 2.796 22.061 ( 0.000 -3.918 0.000) 3.918 22.263 ( 0.000 7.546 0.000) 7.546 22.394 ( -0.000 -5.231 0.000) 5.231 22.396 ( 0.000 4.587 -0.000) 4.587 22.504 ( 0.000 -7.782 -0.000) 7.782 23.197 ( 0.000 9.500 0.000) 9.500 23.391 ( 0.000 -10.367 -0.000) 10.367 24.060 ( 0.000 12.192 0.000) 12.192 24.239 ( 0.000 -7.269 0.000) 7.269 25.353 ( 0.000 10.143 0.000) 10.143 25.394 ( 0.000 1.083 0.000) 1.083 25.398 ( -0.000 -0.735 -0.000) 0.735 25.556 ( 0.000 -9.401 0.000) 9.401 25.814 ( 0.000 0.372 0.000) 0.372 25.882 ( 0.000 -6.620 -0.000) 6.620 26.494 ( -0.000 -0.846 0.000) 0.846 26.507 ( 0.000 -2.436 -0.000) 2.436 26.984 ( 0.000 5.478 0.000) 5.478 27.060 ( 0.000 -3.372 0.000) 3.372 27.223 ( 0.000 11.656 0.000) 11.656 27.374 ( 0.000 -1.838 0.000) 1.838 27.516 ( 0.000 6.431 0.000) 6.431 27.663 ( 0.000 -5.919 0.000) 5.919 27.981 ( 0.000 0.725 0.000) 0.725 28.047 ( -0.000 -7.395 0.000) 7.395 28.125 ( 0.000 3.973 0.000) 3.973 28.190 ( 0.000 -3.237 0.000) 3.237 28.265 ( 0.000 1.170 0.000) 1.170 28.342 ( 0.000 -5.151 0.000) 5.151 28.859 ( 0.000 2.764 0.000) 2.764 28.871 ( 0.000 1.180 0.000) 1.180 29.099 ( 0.000 2.200 0.000) 2.200 29.151 ( 0.000 -3.556 0.000) 3.556 29.563 ( 0.000 5.502 0.000) 5.502 29.616 ( -0.000 -0.495 0.000) 0.495 29.674 ( 0.000 0.038 0.000) 0.038 29.741 ( 0.000 -6.309 0.000) 6.309 30.015 ( 0.000 4.070 0.000) 4.070 30.090 ( 0.000 -4.180 0.000) 4.180 30.976 ( 0.000 6.494 0.000) 6.494 31.090 ( 0.000 -5.179 0.000) 5.179 31.866 ( 0.000 1.023 0.000) 1.023 31.883 ( -0.000 -0.085 0.000) 0.085 31.927 ( 0.000 0.952 0.000) 0.952 31.933 ( 0.000 0.973 0.000) 0.973 32.118 ( 0.000 1.347 0.000) 1.347 32.176 ( 0.000 -4.389 0.000) 4.389 32.606 ( 0.000 1.923 0.000) 1.923 32.614 ( 0.000 0.591 -0.000) 0.591 32.748 ( 0.000 3.588 0.000) 3.588 32.874 ( 0.000 -9.644 0.000) 9.644 33.058 ( 0.000 0.189 -0.000) 0.189 33.060 ( -0.000 -0.207 0.000) 0.207 34.215 ( 0.000 12.475 0.000) 12.475 34.419 ( 0.000 -9.746 0.000) 9.746 38.224 ( 0.000 3.215 0.000) 3.215 38.272 ( 0.000 -1.456 0.000) 1.456 38.599 ( 0.000 -1.832 0.000) 1.832 38.617 ( 0.000 -4.781 -0.000) 4.781 39.549 ( 0.000 8.029 0.000) 8.029 39.669 ( 0.000 -4.077 0.000) 4.077 40.092 ( 0.000 13.080 0.000) 13.080 40.250 ( 0.000 -3.040 0.000) 3.040 40.828 ( 0.000 0.263 0.000) 0.263 40.909 ( 0.000 -8.421 0.000) 8.421 41.847 ( 0.000 7.922 0.000) 7.922 41.964 ( 0.000 -4.843 0.000) 4.843 42.492 ( 0.000 0.441 0.000) 0.441 42.508 ( 0.000 -1.563 0.000) 1.563 42.715 ( 0.000 5.661 0.000) 5.661 42.868 ( 0.000 -10.211 0.000) 10.211 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 27.194 0.000 40.815) 49.045 0.983 ( -2.840 0.000 44.676) 44.766 1.507 ( 6.191 0.000 67.678) 67.961 2.422 ( 2.820 0.000 1.954) 3.431 2.683 ( -6.130 0.000 -12.159) 13.617 2.979 ( 3.043 0.000 2.986) 4.263 3.065 ( -0.724 0.000 5.208) 5.258 3.147 ( 0.106 0.000 0.887) 0.894 3.223 ( -1.961 0.000 -1.136) 2.266 3.332 ( -1.899 0.000 -1.234) 2.265 3.422 ( -0.761 0.000 -4.169) 4.238 3.569 ( -3.496 0.000 -3.080) 4.660 3.578 ( 1.785 0.000 1.746) 2.497 3.763 ( -3.091 0.000 -4.216) 5.227 3.978 ( 0.462 0.000 -1.380) 1.455 4.054 ( 9.719 0.000 -1.451) 9.827 4.077 ( 10.788 0.000 0.392) 10.795 4.257 ( 2.177 0.000 -6.046) 6.426 4.344 ( -1.329 0.000 1.791) 2.230 4.445 ( -3.738 0.000 2.424) 4.455 4.507 ( -9.503 0.000 -15.139) 17.875 4.673 ( -1.576 0.000 -3.297) 3.655 4.687 ( 3.543 0.000 -7.826) 8.590 4.841 ( 0.347 0.000 -0.754) 0.830 5.073 ( -6.555 0.000 -1.659) 6.762 5.210 ( -1.392 0.000 -11.993) 12.074 5.217 ( 4.808 0.000 0.926) 4.896 5.297 ( -2.303 0.000 -0.462) 2.349 5.375 ( 1.066 0.000 4.996) 5.108 5.504 ( -0.767 0.000 -1.478) 1.665 5.654 ( 16.688 0.000 10.710) 19.829 5.839 ( 3.257 0.000 -8.711) 9.300 5.943 ( 10.429 0.000 2.634) 10.756 5.976 ( 14.119 0.000 10.390) 17.530 6.062 ( -6.252 0.000 -3.978) 7.410 6.260 ( 4.857 0.000 1.023) 4.964 6.511 ( -4.644 0.000 -3.199) 5.640 6.534 ( -0.293 0.000 8.958) 8.963 6.688 ( -9.597 0.000 -11.165) 14.723 6.726 ( 0.026 0.000 0.709) 0.710 6.735 ( -1.064 0.000 8.020) 8.090 6.852 ( -3.847 0.000 -3.927) 5.497 7.004 ( -5.591 0.000 -2.217) 6.015 7.249 ( -4.275 0.000 -7.100) 8.288 7.310 ( 1.239 0.000 -2.404) 2.704 7.437 ( 2.847 0.000 -1.831) 3.385 7.604 ( -4.069 0.000 5.494) 6.836 7.651 ( -12.380 0.000 -2.118) 12.559 7.708 ( 3.347 0.000 3.229) 4.650 7.765 ( -1.914 0.000 -13.905) 14.036 8.208 ( 5.270 0.000 4.894) 7.192 8.236 ( -2.005 0.000 6.742) 7.033 8.559 ( -4.588 0.000 5.842) 7.428 8.700 ( -8.009 0.000 -8.638) 11.780 8.923 ( -6.700 0.000 -7.364) 9.956 8.962 ( 14.554 0.000 1.804) 14.666 9.119 ( -5.415 0.000 -1.516) 5.623 9.162 ( -2.220 0.000 -3.360) 4.027 9.345 ( 2.687 0.000 -4.929) 5.613 9.367 ( -2.843 0.000 -3.748) 4.704 9.667 ( -0.737 0.000 2.542) 2.647 9.710 ( 9.200 0.000 4.163) 10.098 9.857 ( -1.933 0.000 4.927) 5.293 9.953 ( 0.843 0.000 0.890) 1.226 10.035 ( 2.400 0.000 3.744) 4.447 10.487 ( -2.083 0.000 -6.882) 7.190 10.642 ( -4.523 0.000 4.075) 6.088 10.680 ( -1.367 0.000 8.148) 8.262 10.810 ( 3.777 0.000 0.716) 3.845 10.842 ( 0.250 0.000 11.684) 11.686 11.203 ( 2.395 0.000 0.296) 2.413 11.239 ( -2.021 0.000 -5.362) 5.730 11.378 ( 0.058 0.000 -2.405) 2.406 11.667 ( -12.991 0.000 -7.974) 15.243 11.905 ( 1.695 0.000 0.988) 1.962 11.907 ( -0.406 0.000 0.498) 0.643 12.202 ( 9.598 0.000 1.183) 9.671 12.283 ( -3.653 0.000 -1.079) 3.809 12.398 ( -2.452 0.000 -1.610) 2.933 12.423 ( -0.705 0.000 -4.971) 5.021 12.777 ( 3.867 0.000 -0.318) 3.880 12.841 ( -5.126 0.000 -0.194) 5.129 12.894 ( -1.061 0.000 3.034) 3.214 12.974 ( 1.264 0.000 1.567) 2.013 13.311 ( -2.170 0.000 3.486) 4.107 13.343 ( 5.093 0.000 4.100) 6.538 13.545 ( 3.057 0.000 -0.814) 3.163 13.615 ( -3.483 0.000 -1.061) 3.641 13.825 ( 7.881 0.000 3.578) 8.655 14.327 ( -5.443 0.000 -4.248) 6.905 14.495 ( -1.521 0.000 0.161) 1.530 14.528 ( 0.519 0.000 -0.304) 0.601 14.861 ( -0.458 0.000 -2.029) 2.080 15.023 ( 5.848 0.000 -4.395) 7.316 15.211 ( -2.126 0.000 -1.970) 2.898 15.217 ( 7.991 0.000 6.153) 10.086 15.340 ( -4.005 0.000 -5.141) 6.517 15.522 ( 2.548 0.000 -4.174) 4.890 15.665 ( -3.163 0.000 4.705) 5.670 15.945 ( 7.097 0.000 -5.176) 8.784 16.200 ( -3.462 0.000 2.210) 4.107 16.499 ( -3.743 0.000 -1.369) 3.986 16.600 ( -7.013 0.000 -7.471) 10.247 16.845 ( -6.789 0.000 -3.788) 7.775 16.867 ( 12.953 0.000 10.943) 16.957 17.086 ( 4.940 0.000 8.219) 9.590 17.206 ( -1.435 0.000 0.641) 1.572 17.517 ( -1.470 0.000 -3.193) 3.515 17.618 ( -1.703 0.000 -2.386) 2.932 17.931 ( -7.152 0.000 -9.648) 12.010 18.046 ( 5.655 0.000 3.450) 6.624 18.126 ( -10.980 0.000 -9.298) 14.388 18.373 ( -3.727 0.000 -1.213) 3.920 18.449 ( 0.114 0.000 -0.142) 0.181 18.673 ( 6.997 0.000 4.319) 8.223 18.772 ( 13.221 0.000 17.457) 21.898 19.030 ( -1.174 0.000 -1.058) 1.580 19.111 ( -5.963 0.000 -8.582) 10.450 19.221 ( -4.891 0.000 -6.934) 8.485 19.497 ( 25.075 0.000 25.820) 35.992 19.546 ( 6.039 0.000 11.601) 13.079 19.560 ( -0.550 0.000 -1.854) 1.934 19.930 ( -4.444 0.000 1.306) 4.632 19.944 ( 2.350 0.000 5.141) 5.653 20.006 ( -3.382 0.000 -0.213) 3.388 20.006 ( 4.842 0.000 1.673) 5.123 20.213 ( -13.201 0.000 -4.219) 13.859 20.604 ( 3.271 0.000 -1.555) 3.622 20.810 ( -0.592 0.000 -6.009) 6.038 21.230 ( -15.078 0.000 -12.503) 19.587 21.404 ( 7.854 0.000 10.600) 13.193 21.943 ( 0.156 0.000 -0.939) 0.952 21.955 ( 1.271 0.000 2.302) 2.629 22.081 ( 0.431 0.000 2.877) 2.909 22.189 ( -1.429 0.000 -2.113) 2.550 22.270 ( 0.792 0.000 -1.120) 1.372 22.368 ( -1.938 0.000 -1.843) 2.675 22.667 ( 0.670 0.000 3.689) 3.749 22.700 ( -16.524 0.000 -15.938) 22.958 23.410 ( -21.377 0.000 -20.528) 29.637 23.608 ( 19.339 0.000 18.399) 26.693 24.691 ( -7.122 0.000 -8.696) 11.240 24.961 ( 23.664 0.000 23.042) 33.029 25.442 ( 0.894 0.000 2.169) 2.346 25.486 ( -2.096 0.000 -1.667) 2.679 25.663 ( 2.101 0.000 1.821) 2.780 25.936 ( -11.599 0.000 0.501) 11.610 26.366 ( 4.679 0.000 -3.346) 5.752 26.689 ( -6.806 0.000 -2.832) 7.372 26.709 ( -9.954 0.000 -7.261) 12.321 26.746 ( -4.677 0.000 2.021) 5.095 26.946 ( 8.338 0.000 3.051) 8.878 27.057 ( 8.776 0.000 6.965) 11.204 27.411 ( -0.412 0.000 -6.008) 6.022 27.532 ( -4.454 0.000 -3.018) 5.380 27.538 ( -1.773 0.000 -4.792) 5.109 27.942 ( 5.639 0.000 4.572) 7.260 28.051 ( -2.684 0.000 -0.367) 2.709 28.295 ( -0.587 0.000 -1.970) 2.056 28.308 ( 3.262 0.000 -2.481) 4.098 28.421 ( 21.649 0.000 7.311) 22.850 28.776 ( 0.561 0.000 -1.348) 1.460 28.878 ( -5.173 0.000 -5.041) 7.223 28.990 ( 4.551 0.000 5.191) 6.903 29.055 ( -0.658 0.000 -1.995) 2.101 29.321 ( 28.176 0.000 -0.112) 28.177 29.416 ( -4.671 0.000 -3.741) 5.985 29.477 ( -6.539 0.000 -4.468) 7.920 29.653 ( 27.719 0.000 -0.309) 27.721 29.801 ( -6.395 0.000 -1.871) 6.663 29.831 ( 15.779 0.000 3.799) 16.230 30.307 ( -14.772 0.000 -16.195) 21.919 30.866 ( 6.219 0.000 6.707) 9.146 31.035 ( 16.996 0.000 12.850) 21.307 31.395 ( -12.343 0.000 -7.804) 14.604 31.646 ( 4.700 0.000 5.847) 7.502 31.657 ( -0.933 0.000 -1.766) 1.998 32.008 ( -5.326 0.000 -4.837) 7.195 32.031 ( 3.550 0.000 8.734) 9.428 32.210 ( 2.005 0.000 6.601) 6.899 32.586 ( -2.322 0.000 -2.576) 3.468 32.738 ( 2.214 0.000 -1.832) 2.874 32.872 ( -0.134 0.000 1.065) 1.073 32.901 ( -6.695 0.000 -1.797) 6.932 33.176 ( -1.114 0.000 1.858) 2.167 33.364 ( -3.307 0.000 -4.029) 5.213 33.786 ( 13.336 0.000 9.614) 16.440 34.411 ( -71.450 0.000 -5.650) 71.673 38.388 ( 1.214 0.000 1.612) 2.018 38.524 ( -1.173 0.000 -5.019) 5.154 38.636 ( -2.933 0.000 -0.836) 3.050 38.782 ( 5.405 0.000 0.810) 5.466 39.248 ( 0.511 0.000 0.679) 0.850 39.541 ( -3.036 0.000 -6.428) 7.109 39.792 ( -10.127 0.000 3.387) 10.678 39.816 ( 4.559 0.000 4.808) 6.626 41.074 ( 0.474 0.000 4.243) 4.269 41.262 ( -4.432 0.000 4.170) 6.085 41.408 ( -1.112 0.000 -1.955) 2.249 41.585 ( 41.441 0.000 -2.692) 41.529 42.271 ( 1.861 0.000 0.302) 1.886 42.432 ( -1.128 0.000 -2.330) 2.589 43.688 ( 0.046 0.000 0.379) 0.382 43.773 ( -6.765 0.000 -1.411) 6.911 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 6.392 0.000 38.009) 38.543 1.577 ( 10.414 0.000 35.478) 36.975 2.315 ( -17.753 0.000 -24.881) 30.565 2.402 ( 5.221 0.000 6.169) 8.082 2.624 ( 22.048 0.000 37.928) 43.871 2.971 ( -8.700 0.000 0.739) 8.731 3.099 ( -6.633 0.000 -4.627) 8.087 3.136 ( -1.838 0.000 -1.139) 2.162 3.175 ( 2.322 0.000 5.844) 6.288 3.250 ( -2.303 0.000 -2.549) 3.435 3.346 ( -4.284 0.000 -5.174) 6.717 3.453 ( -4.730 0.000 5.140) 6.985 3.594 ( -3.676 0.000 -2.280) 4.326 3.685 ( 1.539 0.000 1.698) 2.292 3.893 ( -1.334 0.000 -9.503) 9.596 4.123 ( 1.011 0.000 -7.522) 7.590 4.180 ( -1.668 0.000 -3.674) 4.035 4.204 ( 6.503 0.000 -3.265) 7.277 4.278 ( 1.018 0.000 -0.640) 1.203 4.351 ( -0.601 0.000 0.268) 0.658 4.434 ( -2.090 0.000 -1.871) 2.805 4.638 ( 1.269 0.000 -0.684) 1.442 4.665 ( -0.608 0.000 4.481) 4.523 4.850 ( 4.920 0.000 -1.098) 5.041 4.869 ( -7.815 0.000 -9.990) 12.683 5.088 ( 3.847 0.000 -14.850) 15.340 5.276 ( 3.943 0.000 -0.158) 3.946 5.299 ( 0.990 0.000 -0.675) 1.198 5.454 ( 1.951 0.000 3.765) 4.241 5.513 ( 1.342 0.000 -0.374) 1.393 5.775 ( 5.231 0.000 -4.228) 6.726 5.834 ( 3.434 0.000 4.625) 5.760 5.971 ( -7.304 0.000 2.714) 7.792 6.195 ( 8.621 0.000 6.124) 10.575 6.296 ( 4.927 0.000 3.175) 5.862 6.302 ( -0.573 0.000 -1.160) 1.294 6.360 ( -7.359 0.000 -11.059) 13.284 6.481 ( 9.891 0.000 -2.168) 10.125 6.507 ( -10.668 0.000 -2.084) 10.869 6.648 ( -14.592 0.000 -6.174) 15.844 6.787 ( 12.382 0.000 1.912) 12.529 6.822 ( -4.300 0.000 5.617) 7.074 7.010 ( 3.106 0.000 4.577) 5.532 7.063 ( -8.517 0.000 -11.858) 14.600 7.162 ( 2.443 0.000 1.477) 2.855 7.438 ( -5.273 0.000 -4.257) 6.777 7.529 ( -11.134 0.000 2.553) 11.423 7.566 ( -6.118 0.000 -0.259) 6.123 7.691 ( 0.192 0.000 0.518) 0.553 7.812 ( 1.135 0.000 3.476) 3.656 8.232 ( -4.762 0.000 5.061) 6.949 8.351 ( 4.406 0.000 3.556) 5.662 8.544 ( 1.013 0.000 -5.212) 5.309 8.616 ( 4.402 0.000 1.393) 4.617 8.746 ( -4.996 0.000 -2.334) 5.514 9.022 ( 0.851 0.000 -3.475) 3.578 9.067 ( -0.951 0.000 -0.169) 0.966 9.254 ( 8.458 0.000 2.106) 8.716 9.301 ( 3.492 0.000 -6.777) 7.624 9.367 ( 3.016 0.000 -0.086) 3.018 9.730 ( 2.703 0.000 2.841) 3.921 9.818 ( 2.501 0.000 0.934) 2.669 9.892 ( -4.002 0.000 5.325) 6.661 9.964 ( -0.932 0.000 1.921) 2.136 10.071 ( -0.186 0.000 1.068) 1.084 10.333 ( -3.602 0.000 -11.254) 11.817 10.595 ( -7.667 0.000 4.066) 8.678 10.752 ( -3.096 0.000 8.602) 9.143 10.889 ( 4.698 0.000 2.006) 5.108 10.979 ( -1.859 0.000 10.999) 11.155 11.140 ( -4.798 0.000 -2.735) 5.523 11.250 ( -0.844 0.000 0.268) 0.885 11.350 ( 1.840 0.000 1.812) 2.582 11.402 ( -8.074 0.000 -7.702) 11.159 11.895 ( -1.652 0.000 -1.278) 2.089 11.930 ( 0.746 0.000 -0.089) 0.751 12.198 ( -3.047 0.000 -3.167) 4.395 12.339 ( -1.813 0.000 -3.066) 3.562 12.344 ( 5.379 0.000 1.548) 5.597 12.417 ( 5.718 0.000 -1.341) 5.873 12.749 ( -5.455 0.000 -1.337) 5.617 12.841 ( 2.706 0.000 2.005) 3.368 12.922 ( 0.279 0.000 2.217) 2.235 12.999 ( -0.023 0.000 0.930) 0.930 13.278 ( -6.416 0.000 5.000) 8.134 13.438 ( -9.273 0.000 -3.393) 9.875 13.552 ( 11.234 0.000 5.390) 12.460 13.626 ( 5.418 0.000 -3.511) 6.456 13.991 ( 7.009 0.000 6.299) 9.424 14.175 ( -5.201 0.000 -6.634) 8.430 14.482 ( 0.643 0.000 -0.140) 0.658 14.524 ( 1.434 0.000 -1.465) 2.050 14.871 ( -0.753 0.000 3.292) 3.377 15.037 ( 3.147 0.000 -2.822) 4.227 15.181 ( -3.614 0.000 -7.461) 8.290 15.191 ( -0.563 0.000 -0.888) 1.051 15.423 ( -4.014 0.000 -9.997) 10.773 15.429 ( 8.716 0.000 3.723) 9.478 15.654 ( -3.888 0.000 1.517) 4.174 15.972 ( 3.485 0.000 -4.355) 5.578 16.255 ( 3.580 0.000 8.598) 9.313 16.421 ( -5.302 0.000 -6.185) 8.147 16.531 ( 4.626 0.000 5.629) 7.286 16.645 ( -4.051 0.000 -5.922) 7.174 17.137 ( -8.455 0.000 -3.537) 9.165 17.167 ( 7.956 0.000 9.180) 12.148 17.312 ( 10.175 0.000 12.927) 16.451 17.437 ( -6.299 0.000 -5.292) 8.227 17.581 ( 1.159 0.000 -3.326) 3.523 17.673 ( -1.383 0.000 -6.982) 7.117 18.093 ( 2.948 0.000 3.838) 4.840 18.146 ( 3.184 0.000 -0.944) 3.321 18.362 ( 3.603 0.000 2.957) 4.661 18.443 ( 0.392 0.000 -2.528) 2.558 18.844 ( 6.852 0.000 5.415) 8.734 18.854 ( -7.633 0.000 -6.398) 9.959 19.019 ( 0.669 0.000 0.893) 1.116 19.043 ( -6.194 0.000 -6.328) 8.855 19.274 ( 15.218 0.000 14.800) 21.228 19.448 ( -6.677 0.000 -10.433) 12.387 19.673 ( 1.417 0.000 7.802) 7.930 19.838 ( -9.548 0.000 0.737) 9.576 19.926 ( -4.922 0.000 -8.644) 9.947 19.957 ( 5.138 0.000 4.832) 7.053 19.994 ( -8.758 0.000 2.392) 9.079 20.116 ( 5.104 0.000 8.595) 9.996 20.416 ( 26.857 0.000 24.091) 36.079 20.595 ( -5.404 0.000 -9.015) 10.511 20.722 ( -0.520 0.000 -4.889) 4.917 20.758 ( -15.063 0.000 -15.779) 21.814 21.717 ( 11.431 0.000 13.538) 17.718 21.858 ( -7.649 0.000 -8.926) 11.755 22.037 ( 3.316 0.000 4.854) 5.878 22.110 ( -3.958 0.000 -3.821) 5.501 22.154 ( 3.497 0.000 7.022) 7.845 22.254 ( -6.178 0.000 -4.540) 7.667 22.292 ( 3.201 0.000 1.080) 3.379 22.365 ( -6.173 0.000 -9.072) 10.973 22.788 ( 6.870 0.000 8.885) 11.232 22.971 ( -7.517 0.000 -10.193) 12.665 24.122 ( 17.885 0.000 18.351) 25.624 24.375 ( -13.634 0.000 -17.501) 22.185 25.394 ( 4.046 0.000 4.234) 5.857 25.418 ( -3.276 0.000 -2.901) 4.376 25.579 ( 9.318 0.000 8.741) 12.776 25.688 ( -2.743 0.000 -2.055) 3.427 25.912 ( -1.049 0.000 8.769) 8.831 26.245 ( -8.869 0.000 -12.143) 15.037 26.488 ( -6.247 0.000 -3.775) 7.299 26.594 ( 4.881 0.000 0.080) 4.882 26.842 ( 1.032 0.000 7.067) 7.142 27.105 ( 4.312 0.000 2.787) 5.134 27.257 ( 6.721 0.000 1.988) 7.008 27.328 ( 1.171 0.000 -6.620) 6.723 27.366 ( -7.006 0.000 -6.033) 9.245 27.432 ( 0.536 0.000 -0.588) 0.796 28.003 ( -4.024 0.000 -0.140) 4.026 28.071 ( 3.663 0.000 4.700) 5.958 28.254 ( -1.492 0.000 -4.009) 4.278 28.267 ( 0.241 0.000 -1.584) 1.603 28.701 ( 6.807 0.000 7.371) 10.033 28.720 ( -7.123 0.000 -3.939) 8.139 28.842 ( 6.721 0.000 5.176) 8.483 28.886 ( -13.382 0.000 -15.761) 20.676 29.121 ( 3.117 0.000 7.539) 8.158 29.183 ( -9.091 0.000 -4.336) 10.072 29.301 ( -10.879 0.000 -7.980) 13.492 29.500 ( 7.037 0.000 0.281) 7.042 29.676 ( -4.158 0.000 -3.227) 5.263 29.725 ( -0.565 0.000 0.450) 0.723 30.002 ( -5.160 0.000 -8.140) 9.637 30.438 ( 43.045 0.000 -17.795) 46.578 31.111 ( -9.596 0.000 -9.142) 13.253 31.118 ( 12.270 0.000 11.020) 16.493 31.437 ( 16.068 0.000 10.029) 18.941 31.521 ( -6.441 0.000 -10.130) 12.004 31.816 ( 7.595 0.000 6.227) 9.821 31.864 ( -4.420 0.000 -5.549) 7.094 32.225 ( 4.621 0.000 10.527) 11.497 32.295 ( -1.989 0.000 3.959) 4.431 32.522 ( -1.170 0.000 -0.564) 1.299 32.695 ( -1.804 0.000 -8.527) 8.716 32.788 ( -5.778 0.000 1.639) 6.006 32.879 ( -0.782 0.000 2.148) 2.286 33.219 ( 0.322 0.000 5.429) 5.438 33.284 ( -2.064 0.000 -2.029) 2.894 33.740 ( -32.093 0.000 8.578) 33.220 34.179 ( 18.294 0.000 15.300) 23.849 38.416 ( -4.441 0.000 -2.497) 5.095 38.429 ( 0.109 0.000 3.503) 3.504 38.566 ( -3.573 0.000 -2.830) 4.558 38.843 ( 3.210 0.000 -0.253) 3.220 39.288 ( 1.877 0.000 2.677) 3.269 39.435 ( -1.891 0.000 -4.585) 4.959 39.744 ( -4.233 0.000 1.579) 4.518 39.927 ( 3.602 0.000 3.591) 5.086 41.165 ( 2.881 0.000 5.689) 6.377 41.228 ( -5.747 0.000 2.028) 6.095 41.357 ( -0.740 0.000 -3.823) 3.894 41.884 ( 20.934 0.000 -13.326) 24.816 42.324 ( 3.351 0.000 1.913) 3.859 42.387 ( 0.956 0.000 -4.360) 4.464 43.534 ( -25.065 0.000 8.285) 26.399 43.648 ( -6.312 0.000 0.232) 6.316 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -35.222 0.000 -35.713) 50.160 2.071 ( 5.682 0.000 27.864) 28.437 2.103 ( 11.260 0.000 14.000) 17.966 2.387 ( 3.123 0.000 -8.547) 9.099 2.859 ( -9.678 0.000 5.815) 11.291 2.907 ( -10.130 0.000 -5.271) 11.420 3.038 ( -7.577 0.000 0.240) 7.581 3.096 ( -5.653 0.000 3.760) 6.789 3.225 ( 0.861 0.000 -4.598) 4.678 3.255 ( -3.081 0.000 11.879) 12.272 3.323 ( 5.363 0.000 6.726) 8.603 3.539 ( 0.408 0.000 -0.913) 1.000 3.583 ( 4.463 0.000 4.401) 6.268 3.733 ( -2.047 0.000 2.676) 3.369 3.761 ( 2.700 0.000 -9.543) 9.918 3.999 ( -0.132 0.000 -10.386) 10.387 4.117 ( -1.199 0.000 1.396) 1.840 4.253 ( 5.605 0.000 -11.128) 12.459 4.325 ( 2.108 0.000 -0.047) 2.108 4.353 ( 2.914 0.000 -4.994) 5.782 4.383 ( 2.912 0.000 2.949) 4.144 4.587 ( -7.113 0.000 -9.662) 11.998 4.684 ( -6.266 0.000 6.469) 9.006 4.688 ( 1.725 0.000 -0.956) 1.972 5.021 ( 1.306 0.000 -1.887) 2.295 5.073 ( 14.968 0.000 12.601) 19.566 5.300 ( 1.482 0.000 -1.843) 2.365 5.328 ( 3.790 0.000 -2.086) 4.326 5.463 ( -4.793 0.000 -4.464) 6.550 5.555 ( 4.649 0.000 6.824) 8.257 5.807 ( 4.426 0.000 -8.975) 10.007 5.931 ( 4.647 0.000 1.453) 4.869 5.976 ( 4.618 0.000 2.049) 5.052 6.095 ( -10.162 0.000 -2.909) 10.570 6.247 ( 2.150 0.000 -10.292) 10.514 6.281 ( 3.343 0.000 0.215) 3.350 6.292 ( -0.506 0.000 0.727) 0.886 6.423 ( -1.566 0.000 4.780) 5.030 6.485 ( -10.800 0.000 4.875) 11.850 6.666 ( 10.349 0.000 1.290) 10.429 6.762 ( -14.218 0.000 -4.729) 14.984 6.838 ( -1.623 0.000 0.389) 1.669 6.914 ( -10.628 0.000 -3.577) 11.214 7.073 ( 7.186 0.000 6.447) 9.655 7.217 ( -7.007 0.000 1.218) 7.112 7.314 ( -0.432 0.000 -2.203) 2.245 7.485 ( -9.458 0.000 2.671) 9.828 7.571 ( -5.187 0.000 -4.281) 6.726 7.580 ( 12.042 0.000 9.787) 15.518 7.784 ( -5.357 0.000 -2.102) 5.755 8.306 ( -1.658 0.000 8.910) 9.062 8.373 ( -3.495 0.000 -2.866) 4.520 8.458 ( 1.267 0.000 -7.891) 7.992 8.727 ( 1.736 0.000 0.027) 1.736 8.799 ( 9.260 0.000 7.766) 12.086 9.007 ( 0.558 0.000 0.099) 0.566 9.095 ( 1.939 0.000 3.836) 4.298 9.293 ( 4.774 0.000 0.358) 4.787 9.358 ( 6.433 0.000 -5.993) 8.791 9.386 ( 3.065 0.000 -4.901) 5.780 9.724 ( -4.715 0.000 -3.872) 6.101 9.823 ( -0.483 0.000 -1.170) 1.266 9.843 ( -4.901 0.000 0.993) 5.001 9.998 ( 0.457 0.000 3.987) 4.013 10.125 ( -6.306 0.000 -9.459) 11.369 10.148 ( 0.743 0.000 8.191) 8.224 10.533 ( -6.147 0.000 2.492) 6.633 10.814 ( 0.682 0.000 4.294) 4.347 10.975 ( 2.990 0.000 2.010) 3.603 11.023 ( -2.081 0.000 -0.458) 2.131 11.082 ( -3.689 0.000 4.312) 5.675 11.179 ( -2.983 0.000 -2.697) 4.022 11.238 ( -3.645 0.000 -5.230) 6.375 11.485 ( 3.940 0.000 8.386) 9.265 11.801 ( -6.127 0.000 -4.963) 7.885 11.929 ( -0.389 0.000 -0.031) 0.391 12.156 ( 1.244 0.000 -0.511) 1.345 12.270 ( -1.784 0.000 -3.618) 4.034 12.425 ( 5.314 0.000 0.595) 5.347 12.492 ( 4.091 0.000 0.062) 4.092 12.660 ( -4.113 0.000 -1.756) 4.472 12.866 ( -3.638 0.000 2.304) 4.306 12.968 ( 4.021 0.000 0.165) 4.025 13.010 ( 0.516 0.000 0.860) 1.003 13.243 ( -6.323 0.000 3.893) 7.425 13.258 ( -8.459 0.000 -4.303) 9.490 13.636 ( 3.429 0.000 -4.479) 5.641 13.773 ( 9.363 0.000 4.831) 10.536 14.037 ( -1.491 0.000 -6.644) 6.809 14.208 ( 8.835 0.000 10.511) 13.731 14.515 ( 2.926 0.000 0.335) 2.945 14.542 ( 1.420 0.000 0.746) 1.604 14.896 ( -0.700 0.000 1.565) 1.714 15.025 ( -2.413 0.000 -8.350) 8.692 15.074 ( -1.563 0.000 -2.382) 2.848 15.096 ( -3.243 0.000 -3.640) 4.875 15.261 ( -6.406 0.000 0.401) 6.418 15.528 ( 4.148 0.000 -2.246) 4.717 15.610 ( -1.819 0.000 -0.940) 2.048 15.918 ( -2.364 0.000 -4.741) 5.298 16.346 ( 1.049 0.000 -0.177) 1.064 16.474 ( 6.916 0.000 10.782) 12.810 16.626 ( 3.650 0.000 -0.058) 3.650 16.772 ( 12.068 0.000 11.158) 16.436 16.922 ( -7.606 0.000 -7.042) 10.365 17.281 ( -5.190 0.000 -4.497) 6.867 17.294 ( 1.551 0.000 1.023) 1.858 17.546 ( 1.209 0.000 -2.404) 2.691 17.674 ( 11.247 0.000 14.476) 18.332 17.695 ( 5.089 0.000 0.500) 5.114 18.128 ( -1.470 0.000 -1.913) 2.412 18.225 ( 9.250 0.000 4.440) 10.260 18.431 ( 1.702 0.000 0.274) 1.724 18.486 ( 6.054 0.000 2.476) 6.541 18.667 ( -6.490 0.000 -6.283) 9.033 18.908 ( -5.109 0.000 -2.766) 5.810 18.971 ( -1.122 0.000 -0.380) 1.185 19.104 ( 4.091 0.000 5.350) 6.735 19.141 ( -6.298 0.000 -10.710) 12.424 19.531 ( 4.314 0.000 3.535) 5.577 19.572 ( -16.854 0.000 -8.227) 18.754 19.818 ( -16.645 0.000 -11.876) 20.447 19.844 ( 5.907 0.000 9.519) 11.203 19.873 ( 0.349 0.000 -0.158) 0.384 20.056 ( 3.591 0.000 2.780) 4.542 20.107 ( -11.392 0.000 -14.802) 18.678 20.270 ( 2.836 0.000 7.780) 8.281 20.567 ( -3.273 0.000 -7.737) 8.401 20.681 ( 0.915 0.000 -0.101) 0.920 21.085 ( 17.837 0.000 17.393) 24.913 21.539 ( -12.400 0.000 -11.399) 16.843 21.942 ( 4.540 0.000 3.580) 5.781 22.012 ( -2.825 0.000 -2.875) 4.031 22.113 ( 0.636 0.000 2.671) 2.745 22.191 ( -0.823 0.000 1.106) 1.379 22.238 ( -1.119 0.000 -5.150) 5.270 22.392 ( 6.428 0.000 4.093) 7.621 22.473 ( 15.788 0.000 18.532) 24.345 22.868 ( 1.461 0.000 -3.758) 4.032 23.159 ( 18.952 0.000 22.402) 29.343 23.878 ( -18.818 0.000 -23.514) 30.117 24.554 ( 13.368 0.000 13.513) 19.008 25.194 ( -19.689 0.000 -19.830) 27.944 25.428 ( -1.403 0.000 1.909) 2.369 25.480 ( -6.633 0.000 -4.794) 8.184 25.669 ( 1.552 0.000 -2.771) 3.176 25.986 ( -6.125 0.000 5.159) 8.009 26.113 ( 2.964 0.000 -0.783) 3.066 26.524 ( 4.886 0.000 9.501) 10.683 26.719 ( 5.897 0.000 4.076) 7.169 26.873 ( -2.892 0.000 -0.432) 2.924 27.014 ( -5.828 0.000 -8.318) 10.157 27.216 ( -0.866 0.000 -6.280) 6.339 27.298 ( 3.309 0.000 -0.103) 3.311 27.377 ( -0.540 0.000 1.634) 1.721 27.564 ( 7.017 0.000 4.466) 8.318 27.920 ( -3.376 0.000 -2.615) 4.271 28.157 ( 2.087 0.000 1.944) 2.853 28.190 ( -1.367 0.000 -1.807) 2.266 28.264 ( 0.366 0.000 0.052) 0.370 28.420 ( -13.602 0.000 -13.339) 19.052 28.644 ( -2.681 0.000 0.284) 2.696 28.885 ( 6.159 0.000 7.810) 9.947 28.969 ( 2.725 0.000 1.540) 3.130 29.009 ( -10.720 0.000 -8.558) 13.717 29.065 ( -3.920 0.000 -3.831) 5.481 29.311 ( 6.401 0.000 10.408) 12.218 29.555 ( 2.657 0.000 -1.719) 3.164 29.609 ( -0.618 0.000 -2.334) 2.414 29.791 ( 2.066 0.000 7.650) 7.924 29.908 ( -0.557 0.000 -3.073) 3.123 30.494 ( -0.747 0.000 -13.718) 13.739 30.930 ( -1.899 0.000 -10.694) 10.861 31.317 ( -0.503 0.000 -10.167) 10.179 31.444 ( 12.365 0.000 10.765) 16.394 31.716 ( 10.441 0.000 4.147) 11.235 31.764 ( -0.741 0.000 -4.617) 4.677 31.997 ( 6.758 0.000 5.069) 8.448 32.248 ( -0.852 0.000 -4.488) 4.568 32.346 ( -1.917 0.000 0.635) 2.020 32.553 ( -0.235 0.000 4.235) 4.242 32.555 ( -1.400 0.000 -3.461) 3.734 32.744 ( -4.585 0.000 1.519) 4.830 32.918 ( 0.764 0.000 4.145) 4.215 33.256 ( 0.512 0.000 -0.994) 1.119 33.301 ( 1.783 0.000 4.267) 4.625 33.509 ( -13.430 0.000 2.920) 13.744 34.641 ( 15.456 0.000 16.464) 22.582 38.344 ( -2.737 0.000 -0.985) 2.909 38.461 ( -5.917 0.000 0.706) 5.959 38.485 ( 1.318 0.000 0.317) 1.356 38.873 ( 2.892 0.000 -2.020) 3.528 39.363 ( 2.052 0.000 4.521) 4.965 39.373 ( -0.188 0.000 -3.009) 3.014 39.692 ( -4.374 0.000 0.166) 4.377 40.008 ( 2.157 0.000 2.633) 3.404 41.148 ( -5.420 0.000 -1.488) 5.620 41.275 ( 2.577 0.000 4.729) 5.385 41.302 ( 0.373 0.000 -3.925) 3.942 41.962 ( 13.185 0.000 -11.390) 17.423 42.355 ( 4.531 0.000 -7.110) 8.431 42.406 ( 3.642 0.000 2.481) 4.407 43.301 ( -23.636 0.000 10.746) 25.964 43.517 ( -10.265 0.000 -1.249) 10.340 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -4.865 0.000 -8.674) 9.945 2.248 ( 3.840 0.000 -4.874) 6.205 2.303 ( 6.032 0.000 -7.774) 9.840 2.424 ( -2.869 0.000 10.765) 11.141 2.679 ( -7.833 0.000 -2.653) 8.270 2.853 ( -9.771 0.000 8.836) 13.174 2.934 ( -8.974 0.000 4.109) 9.870 3.040 ( -1.514 0.000 -0.483) 1.589 3.206 ( 6.918 0.000 -3.960) 7.971 3.293 ( -7.690 0.000 6.600) 10.134 3.369 ( -2.526 0.000 -1.824) 3.116 3.527 ( -0.228 0.000 -4.662) 4.668 3.602 ( -0.210 0.000 -2.917) 2.924 3.682 ( -7.462 0.000 2.837) 7.983 3.791 ( 7.596 0.000 -1.324) 7.711 3.881 ( 7.175 0.000 -12.615) 14.513 4.154 ( 2.811 0.000 0.647) 2.885 4.170 ( 5.560 0.000 -10.141) 11.566 4.344 ( 0.379 0.000 -0.699) 0.795 4.372 ( 3.534 0.000 -5.957) 6.926 4.443 ( -0.031 0.000 2.813) 2.813 4.463 ( -0.947 0.000 -1.421) 1.707 4.674 ( 0.955 0.000 -0.375) 1.026 4.689 ( -7.249 0.000 10.063) 12.401 5.045 ( -1.008 0.000 2.520) 2.714 5.294 ( -0.081 0.000 -5.860) 5.860 5.310 ( 2.236 0.000 -0.046) 2.237 5.331 ( -1.683 0.000 -5.694) 5.937 5.491 ( 11.018 0.000 15.386) 18.924 5.698 ( 4.697 0.000 -12.315) 13.180 5.709 ( 4.855 0.000 3.997) 6.288 6.005 ( 4.759 0.000 -3.346) 5.818 6.041 ( 7.777 0.000 0.829) 7.821 6.149 ( 2.622 0.000 -5.305) 5.918 6.155 ( 2.685 0.000 4.550) 5.284 6.231 ( -6.964 0.000 -6.644) 9.625 6.383 ( 1.956 0.000 8.605) 8.825 6.418 ( -7.226 0.000 4.673) 8.605 6.420 ( -9.487 0.000 -5.537) 10.985 6.493 ( -4.530 0.000 11.189) 12.071 6.704 ( -10.651 0.000 -2.035) 10.844 6.771 ( 2.103 0.000 1.465) 2.563 6.912 ( 3.232 0.000 0.514) 3.272 7.113 ( -3.175 0.000 -0.766) 3.266 7.150 ( -5.763 0.000 4.333) 7.210 7.331 ( -0.678 0.000 4.360) 4.412 7.351 ( -6.807 0.000 -1.895) 7.066 7.588 ( 2.130 0.000 3.889) 4.434 7.636 ( -4.711 0.000 -5.148) 6.978 7.936 ( 14.666 0.000 8.688) 17.046 8.185 ( -10.403 0.000 -7.812) 13.009 8.300 ( -6.253 0.000 1.680) 6.475 8.451 ( 5.813 0.000 -3.331) 6.700 8.772 ( 2.013 0.000 3.133) 3.724 8.961 ( 2.884 0.000 1.784) 3.391 9.034 ( -0.278 0.000 -1.159) 1.192 9.175 ( -1.725 0.000 3.750) 4.127 9.346 ( 5.781 0.000 -2.857) 6.449 9.379 ( 5.535 0.000 -0.754) 5.587 9.427 ( 6.009 0.000 4.812) 7.698 9.624 ( -1.734 0.000 0.470) 1.796 9.753 ( -6.792 0.000 -2.821) 7.355 9.810 ( -0.738 0.000 0.442) 0.860 9.945 ( -4.674 0.000 -4.279) 6.337 10.043 ( 0.825 0.000 -0.496) 0.963 10.197 ( -5.419 0.000 3.383) 6.389 10.499 ( -2.167 0.000 1.639) 2.717 10.859 ( 4.491 0.000 -4.694) 6.497 10.971 ( 0.018 0.000 -3.269) 3.269 11.026 ( 1.450 0.000 1.814) 2.323 11.072 ( -2.145 0.000 0.363) 2.176 11.128 ( -1.825 0.000 -0.792) 1.989 11.161 ( -2.389 0.000 -1.299) 2.719 11.588 ( -2.405 0.000 -3.807) 4.503 11.670 ( -2.551 0.000 5.890) 6.419 11.930 ( -0.473 0.000 1.363) 1.443 12.212 ( -0.196 0.000 3.008) 3.015 12.218 ( 2.354 0.000 -0.023) 2.354 12.504 ( 4.620 0.000 -2.097) 5.073 12.531 ( 1.448 0.000 0.204) 1.463 12.597 ( -1.875 0.000 0.785) 2.033 12.817 ( -4.577 0.000 0.414) 4.595 13.017 ( 3.214 0.000 -1.346) 3.484 13.037 ( 1.151 0.000 0.376) 1.211 13.103 ( -4.818 0.000 -3.471) 5.939 13.195 ( -5.296 0.000 2.076) 5.688 13.642 ( 3.259 0.000 -1.349) 3.527 13.885 ( 0.909 0.000 -0.018) 0.909 14.000 ( 5.409 0.000 -3.853) 6.641 14.483 ( 8.395 0.000 8.555) 11.986 14.517 ( -2.182 0.000 -4.251) 4.778 14.564 ( 0.025 0.000 0.626) 0.627 14.815 ( -2.148 0.000 -3.122) 3.790 14.878 ( -0.292 0.000 -2.581) 2.597 15.099 ( -0.137 0.000 7.528) 7.529 15.100 ( -0.683 0.000 1.747) 1.876 15.211 ( -5.217 0.000 4.787) 7.081 15.553 ( 3.417 0.000 -0.073) 3.418 15.589 ( 0.411 0.000 -0.961) 1.045 15.830 ( -1.690 0.000 -2.900) 3.356 16.373 ( 1.180 0.000 -1.506) 1.914 16.638 ( 0.515 0.000 2.559) 2.611 16.658 ( -0.541 0.000 -0.315) 0.626 16.836 ( 4.492 0.000 -2.737) 5.260 16.983 ( 2.514 0.000 0.738) 2.620 17.169 ( -2.794 0.000 -3.454) 4.443 17.293 ( 1.087 0.000 -0.689) 1.287 17.553 ( 1.798 0.000 0.924) 2.021 17.773 ( 3.586 0.000 0.164) 3.590 18.062 ( -1.710 0.000 -1.826) 2.501 18.063 ( 15.974 0.000 16.412) 22.903 18.291 ( -10.385 0.000 -11.324) 15.365 18.470 ( -0.698 0.000 1.783) 1.914 18.540 ( 0.447 0.000 -3.763) 3.790 18.551 ( 0.451 0.000 -2.395) 2.437 18.823 ( 12.950 0.000 13.348) 18.597 18.973 ( -2.911 0.000 0.484) 2.951 19.027 ( -12.681 0.000 -13.980) 18.874 19.200 ( 0.498 0.000 2.265) 2.319 19.277 ( 2.219 0.000 1.702) 2.796 19.378 ( -12.006 0.000 -11.260) 16.460 19.572 ( 0.275 0.000 0.151) 0.314 19.927 ( 2.652 0.000 3.696) 4.549 19.946 ( -2.799 0.000 -3.959) 4.848 19.971 ( 1.295 0.000 1.603) 2.061 20.123 ( 1.890 0.000 0.130) 1.894 20.368 ( -5.899 0.000 -5.340) 7.956 20.439 ( 3.227 0.000 4.954) 5.912 20.702 ( 0.246 0.000 1.796) 1.813 21.325 ( -3.243 0.000 -3.538) 4.799 21.362 ( 2.775 0.000 3.422) 4.406 21.966 ( -0.401 0.000 -0.862) 0.951 22.001 ( 1.632 0.000 0.303) 1.660 22.134 ( -1.057 0.000 1.193) 1.594 22.174 ( -0.014 0.000 -3.579) 3.579 22.222 ( 0.755 0.000 2.662) 2.767 22.502 ( 3.398 0.000 0.956) 3.530 22.864 ( 2.739 0.000 -2.573) 3.758 22.972 ( 12.433 0.000 12.406) 17.564 23.320 ( -11.984 0.000 -13.560) 18.097 23.749 ( 12.503 0.000 12.902) 17.966 24.565 ( -15.469 0.000 -14.236) 21.022 24.797 ( 3.775 0.000 3.015) 4.831 25.422 ( -1.911 0.000 1.269) 2.294 25.424 ( -0.593 0.000 -0.416) 0.725 25.645 ( -0.422 0.000 0.621) 0.751 25.951 ( -3.717 0.000 3.351) 5.004 26.190 ( 2.577 0.000 3.204) 4.112 26.651 ( -2.740 0.000 -0.721) 2.833 26.794 ( -0.007 0.000 -0.144) 0.144 26.844 ( 0.355 0.000 5.916) 5.927 26.904 ( -0.490 0.000 -1.453) 1.534 27.132 ( 1.532 0.000 -6.897) 7.065 27.314 ( -1.765 0.000 0.983) 2.021 27.352 ( 2.235 0.000 0.371) 2.265 27.662 ( 2.048 0.000 0.157) 2.054 27.898 ( 0.426 0.000 -0.568) 0.710 28.142 ( 0.329 0.000 -2.766) 2.785 28.214 ( -0.378 0.000 -3.635) 3.654 28.220 ( -0.225 0.000 4.087) 4.093 28.290 ( -0.242 0.000 1.873) 1.889 28.635 ( -1.502 0.000 0.742) 1.675 28.853 ( -2.673 0.000 1.776) 3.209 28.971 ( 1.215 0.000 -1.614) 2.020 29.001 ( -0.310 0.000 0.146) 0.342 29.028 ( -0.055 0.000 1.660) 1.661 29.463 ( 2.136 0.000 1.735) 2.752 29.592 ( 1.061 0.000 -1.224) 1.620 29.605 ( 3.972 0.000 2.484) 4.685 29.838 ( -4.807 0.000 -2.899) 5.613 29.882 ( 0.637 0.000 -1.049) 1.227 30.339 ( -3.881 0.000 0.558) 3.921 30.812 ( 2.681 0.000 -1.203) 2.938 31.262 ( 3.549 0.000 -3.945) 5.306 31.650 ( 2.600 0.000 -0.063) 2.601 31.714 ( 1.230 0.000 -4.337) 4.508 31.885 ( 9.325 0.000 2.478) 9.648 32.084 ( -2.210 0.000 -0.345) 2.237 32.214 ( 4.412 0.000 -4.629) 6.395 32.245 ( -0.521 0.000 -3.499) 3.537 32.568 ( -0.185 0.000 1.592) 1.603 32.578 ( -1.681 0.000 1.687) 2.381 32.693 ( -4.010 0.000 1.563) 4.304 32.998 ( -0.098 0.000 7.445) 7.445 33.259 ( 1.284 0.000 -1.356) 1.867 33.318 ( -2.095 0.000 -5.547) 5.929 33.414 ( -3.984 0.000 5.021) 6.410 34.931 ( 1.010 0.000 6.955) 7.028 38.310 ( -1.150 0.000 -0.098) 1.155 38.358 ( -2.370 0.000 -5.015) 5.547 38.541 ( -0.923 0.000 6.313) 6.380 38.873 ( 2.166 0.000 -3.800) 4.375 39.350 ( 1.238 0.000 -2.103) 2.440 39.446 ( -0.042 0.000 5.341) 5.341 39.634 ( -2.699 0.000 -0.211) 2.707 40.045 ( -0.541 0.000 0.733) 0.912 41.065 ( -1.204 0.000 -2.546) 2.816 41.280 ( 2.001 0.000 -2.162) 2.946 41.335 ( -0.040 0.000 1.460) 1.461 42.019 ( 11.117 0.000 -6.689) 12.974 42.336 ( 8.016 0.000 -10.684) 13.357 42.470 ( 1.505 0.000 0.929) 1.769 43.117 ( -20.769 0.000 11.084) 23.542 43.366 ( -6.329 0.000 -1.536) 6.513 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 20.572 0.000 31.187) 37.361 2.132 ( -23.574 0.000 -8.465) 25.048 2.295 ( 15.778 0.000 -4.729) 16.472 2.324 ( 6.980 0.000 -9.448) 11.747 2.586 ( -23.780 0.000 -3.738) 24.072 2.764 ( 4.723 0.000 5.253) 7.064 2.998 ( -2.887 0.000 -2.918) 4.105 3.008 ( -0.418 0.000 11.229) 11.237 3.236 ( -7.158 0.000 2.274) 7.511 3.304 ( -1.616 0.000 -0.871) 1.836 3.322 ( 4.296 0.000 4.296) 6.075 3.423 ( 4.319 0.000 -10.454) 11.311 3.601 ( 4.266 0.000 0.470) 4.292 3.648 ( 0.245 0.000 -0.629) 0.675 3.856 ( 3.874 0.000 -3.200) 5.025 3.907 ( 14.065 0.000 -12.730) 18.970 4.125 ( -6.035 0.000 -6.567) 8.919 4.133 ( 3.415 0.000 -4.807) 5.897 4.298 ( 0.085 0.000 -2.976) 2.977 4.342 ( 0.908 0.000 1.067) 1.401 4.516 ( 1.805 0.000 7.537) 7.750 4.536 ( 6.206 0.000 4.295) 7.548 4.668 ( -0.757 0.000 -2.680) 2.785 4.715 ( -7.898 0.000 11.331) 13.811 5.076 ( 2.940 0.000 3.666) 4.699 5.172 ( -4.288 0.000 -8.891) 9.871 5.298 ( 2.950 0.000 -3.684) 4.720 5.372 ( 3.884 0.000 2.485) 4.611 5.510 ( -7.688 0.000 -4.789) 9.057 5.679 ( 9.099 0.000 -7.117) 11.552 5.736 ( -11.822 0.000 -2.204) 12.025 5.947 ( -2.346 0.000 -4.848) 5.386 6.166 ( 3.481 0.000 2.453) 4.259 6.187 ( 7.253 0.000 -3.608) 8.101 6.224 ( 0.593 0.000 2.162) 2.242 6.292 ( 10.599 0.000 8.566) 13.628 6.348 ( 3.754 0.000 -0.930) 3.867 6.381 ( -7.178 0.000 11.620) 13.659 6.466 ( -11.257 0.000 6.682) 13.091 6.553 ( -0.625 0.000 11.304) 11.321 6.660 ( 5.188 0.000 1.518) 5.406 6.754 ( -0.450 0.000 -3.834) 3.861 6.880 ( -1.202 0.000 -2.820) 3.065 7.050 ( -3.353 0.000 -1.600) 3.715 7.132 ( -3.805 0.000 3.355) 5.073 7.278 ( -2.221 0.000 -2.456) 3.311 7.396 ( 1.445 0.000 4.401) 4.632 7.580 ( 3.518 0.000 -3.370) 4.871 7.631 ( 0.351 0.000 1.322) 1.368 7.824 ( -12.911 0.000 -11.615) 17.367 8.229 ( -4.459 0.000 0.482) 4.485 8.267 ( 8.602 0.000 6.672) 10.886 8.516 ( 6.596 0.000 -0.280) 6.602 8.855 ( -0.683 0.000 7.753) 7.783 8.885 ( -5.194 0.000 -10.747) 11.936 8.990 ( -0.719 0.000 1.088) 1.304 9.116 ( -5.326 0.000 -0.730) 5.376 9.450 ( 1.238 0.000 1.663) 2.073 9.554 ( 1.608 0.000 6.934) 7.118 9.560 ( 7.875 0.000 9.644) 12.450 9.596 ( -1.597 0.000 -0.549) 1.689 9.735 ( 6.649 0.000 3.593) 7.558 9.750 ( -4.963 0.000 -3.301) 5.961 9.918 ( 1.811 0.000 -2.433) 3.033 10.036 ( 3.319 0.000 0.017) 3.319 10.086 ( -7.489 0.000 -4.518) 8.747 10.489 ( -1.755 0.000 0.913) 1.978 10.806 ( -1.366 0.000 -7.717) 7.837 10.981 ( 0.196 0.000 0.296) 0.355 11.010 ( -0.289 0.000 -4.795) 4.804 11.029 ( -0.540 0.000 -6.034) 6.058 11.099 ( -0.325 0.000 2.668) 2.688 11.148 ( 2.184 0.000 1.244) 2.514 11.447 ( -4.543 0.000 -6.469) 7.905 11.778 ( 2.675 0.000 6.397) 6.934 11.944 ( -0.385 0.000 1.534) 1.581 12.241 ( 0.550 0.000 4.745) 4.777 12.314 ( 1.515 0.000 5.978) 6.167 12.465 ( -1.433 0.000 -4.158) 4.398 12.549 ( 0.176 0.000 0.496) 0.526 12.651 ( 2.292 0.000 3.231) 3.962 12.767 ( -1.109 0.000 -0.867) 1.408 12.978 ( -1.572 0.000 -3.493) 3.830 13.019 ( 1.175 0.000 -3.596) 3.783 13.119 ( 4.571 0.000 1.124) 4.707 13.142 ( -4.249 0.000 0.456) 4.273 13.701 ( 3.475 0.000 2.507) 4.285 13.861 ( -1.935 0.000 -2.328) 3.027 14.024 ( 3.754 0.000 -2.397) 4.454 14.296 ( -9.099 0.000 -10.021) 13.536 14.563 ( -0.472 0.000 0.437) 0.643 14.596 ( -0.448 0.000 0.939) 1.040 14.851 ( 0.085 0.000 -1.226) 1.229 15.013 ( 9.957 0.000 10.292) 14.321 15.096 ( 1.912 0.000 1.474) 2.414 15.207 ( -1.694 0.000 10.333) 10.470 15.251 ( -3.547 0.000 12.385) 12.883 15.592 ( 1.478 0.000 -0.774) 1.668 15.634 ( 1.775 0.000 4.272) 4.626 15.826 ( 5.033 0.000 -1.022) 5.136 16.318 ( -0.892 0.000 -6.131) 6.196 16.506 ( -9.011 0.000 -9.914) 13.397 16.649 ( 0.834 0.000 -0.319) 0.893 16.889 ( 3.295 0.000 0.809) 3.393 16.906 ( -6.930 0.000 -7.807) 10.439 17.162 ( 4.948 0.000 0.995) 5.047 17.294 ( -0.239 0.000 -2.035) 2.049 17.607 ( 1.612 0.000 3.139) 3.529 17.769 ( -1.307 0.000 -2.551) 2.866 17.819 ( -17.797 0.000 -15.451) 23.568 18.075 ( 2.927 0.000 1.270) 3.191 18.302 ( -5.016 0.000 -9.534) 10.773 18.458 ( -0.430 0.000 0.465) 0.634 18.621 ( 4.422 0.000 4.896) 6.597 18.637 ( -5.817 0.000 -4.438) 7.317 18.749 ( 15.223 0.000 13.493) 20.342 18.951 ( -0.457 0.000 0.615) 0.766 19.147 ( -0.671 0.000 -1.549) 1.688 19.150 ( -5.124 0.000 -3.916) 6.449 19.293 ( 12.114 0.000 11.563) 16.747 19.561 ( -1.139 0.000 -1.223) 1.671 19.579 ( 17.465 0.000 15.275) 23.202 19.874 ( -1.319 0.000 -2.625) 2.937 19.931 ( -6.220 0.000 -4.399) 7.618 20.059 ( 6.756 0.000 9.239) 11.445 20.064 ( -4.834 0.000 -7.040) 8.540 20.186 ( -1.475 0.000 -7.390) 7.536 20.598 ( 3.956 0.000 7.592) 8.561 20.725 ( -0.839 0.000 2.285) 2.434 21.259 ( -11.189 0.000 -10.854) 15.589 21.377 ( 8.843 0.000 6.209) 10.805 21.976 ( 1.756 0.000 0.899) 1.973 21.997 ( -1.958 0.000 -1.946) 2.761 22.109 ( -2.258 0.000 -1.161) 2.539 22.142 ( 0.745 0.000 -2.089) 2.218 22.279 ( 1.646 0.000 3.529) 3.894 22.484 ( -3.724 0.000 -3.802) 5.322 22.631 ( -17.449 0.000 -19.380) 26.078 22.875 ( 2.657 0.000 -1.872) 3.250 23.333 ( -22.904 0.000 -25.798) 34.498 23.732 ( 19.717 0.000 22.688) 30.058 24.709 ( -9.840 0.000 -8.245) 12.838 24.910 ( 25.070 0.000 24.487) 35.045 25.407 ( -1.290 0.000 0.097) 1.293 25.423 ( 0.818 0.000 0.263) 0.859 25.715 ( 4.431 0.000 3.799) 5.836 25.954 ( -5.007 0.000 5.878) 7.722 26.223 ( -2.586 0.000 2.793) 3.806 26.502 ( -5.894 0.000 -7.374) 9.440 26.726 ( -2.316 0.000 -7.096) 7.464 26.958 ( -1.102 0.000 8.675) 8.745 26.969 ( 8.178 0.000 5.941) 10.108 27.168 ( 4.175 0.000 2.037) 4.646 27.352 ( -0.645 0.000 -1.680) 1.800 27.371 ( 2.024 0.000 2.483) 3.204 27.630 ( -2.763 0.000 -4.370) 5.170 27.899 ( 1.351 0.000 0.800) 1.570 28.110 ( -0.282 0.000 -3.179) 3.192 28.262 ( -0.624 0.000 3.757) 3.808 28.273 ( 5.142 0.000 4.797) 7.032 28.311 ( 2.577 0.000 3.691) 4.501 28.610 ( -0.970 0.000 -0.124) 0.978 28.896 ( -4.827 0.000 -8.202) 9.517 28.963 ( 4.734 0.000 9.250) 10.391 29.001 ( -0.515 0.000 0.028) 0.515 29.068 ( 1.712 0.000 7.896) 8.080 29.362 ( -10.499 0.000 -11.179) 15.336 29.603 ( 1.682 0.000 -0.085) 1.684 29.648 ( -2.715 0.000 0.342) 2.736 29.691 ( 0.508 0.000 -5.815) 5.838 29.913 ( 2.734 0.000 2.732) 3.865 30.419 ( 7.925 0.000 6.966) 10.552 31.039 ( 11.351 0.000 16.228) 19.804 31.287 ( 5.055 0.000 -3.263) 6.017 31.519 ( -7.061 0.000 -12.072) 13.985 31.706 ( 3.568 0.000 -1.237) 3.776 31.926 ( -7.016 0.000 -3.414) 7.802 32.032 ( 0.910 0.000 -1.852) 2.064 32.245 ( 5.388 0.000 -2.856) 6.098 32.253 ( 1.795 0.000 -2.508) 3.084 32.551 ( -2.782 0.000 -0.323) 2.801 32.559 ( -0.233 0.000 0.384) 0.450 32.703 ( 0.031 0.000 4.551) 4.551 33.090 ( -3.150 0.000 10.027) 10.510 33.169 ( -3.409 0.000 -9.008) 9.631 33.249 ( 0.407 0.000 -2.008) 2.049 33.443 ( -2.483 0.000 5.437) 5.977 34.803 ( -13.992 0.000 -10.626) 17.570 38.291 ( 1.465 0.000 -4.204) 4.452 38.303 ( 0.292 0.000 -0.230) 0.372 38.608 ( -1.335 0.000 6.807) 6.937 38.843 ( 1.101 0.000 -4.662) 4.791 39.359 ( 2.462 0.000 -0.521) 2.517 39.453 ( -5.023 0.000 1.570) 5.263 39.650 ( 1.987 0.000 3.648) 4.154 40.006 ( -2.636 0.000 -2.861) 3.890 41.073 ( 2.977 0.000 1.347) 3.268 41.306 ( 2.996 0.000 0.314) 3.012 41.309 ( -3.095 0.000 -1.639) 3.502 42.120 ( 12.150 0.000 -4.633) 13.003 42.311 ( 9.645 0.000 -14.124) 17.103 42.458 ( -2.181 0.000 -1.750) 2.797 42.980 ( -17.775 0.000 11.497) 21.169 43.333 ( 2.918 0.000 0.248) 2.929 ======================= Grid point 68 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -32.434 0.000 -6.324) 33.044 1.642 ( -3.706 0.000 3.264) 4.939 2.273 ( 4.879 0.000 -11.977) 12.933 2.298 ( -5.109 0.000 10.994) 12.123 2.565 ( 19.810 0.000 2.301) 19.943 2.756 ( -16.060 0.000 -15.830) 22.550 2.946 ( 11.185 0.000 2.168) 11.393 3.146 ( 0.979 0.000 8.439) 8.496 3.192 ( -2.087 0.000 1.016) 2.321 3.269 ( -0.825 0.000 -6.136) 6.191 3.302 ( -2.847 0.000 3.625) 4.609 3.514 ( 5.560 0.000 1.587) 5.783 3.601 ( -13.824 0.000 -4.001) 14.392 3.632 ( 0.749 0.000 -3.231) 3.317 3.800 ( 5.758 0.000 -1.191) 5.880 3.918 ( 9.754 0.000 -13.612) 16.746 3.987 ( 3.854 0.000 -4.899) 6.234 4.173 ( 8.850 0.000 -3.091) 9.374 4.331 ( 3.320 0.000 3.927) 5.143 4.434 ( -1.475 0.000 8.370) 8.500 4.536 ( 3.143 0.000 -6.295) 7.035 4.638 ( -0.518 0.000 7.295) 7.313 4.742 ( -7.450 0.000 11.690) 13.862 4.826 ( 9.103 0.000 11.805) 14.908 4.960 ( -6.820 0.000 -10.084) 12.174 5.195 ( 4.833 0.000 2.944) 5.659 5.303 ( 4.324 0.000 -1.104) 4.462 5.354 ( -2.484 0.000 -7.285) 7.697 5.459 ( 5.805 0.000 -0.443) 5.822 5.531 ( -9.111 0.000 -4.982) 10.384 5.762 ( 7.297 0.000 -0.751) 7.335 5.797 ( -4.513 0.000 -10.078) 11.042 6.168 ( -4.118 0.000 -5.532) 6.897 6.188 ( -6.548 0.000 9.899) 11.869 6.215 ( 1.540 0.000 -4.022) 4.306 6.217 ( 0.417 0.000 -5.297) 5.314 6.411 ( -8.323 0.000 11.912) 14.532 6.551 ( 2.645 0.000 12.746) 13.018 6.612 ( 5.720 0.000 0.689) 5.762 6.666 ( -3.271 0.000 12.641) 13.058 6.802 ( -3.980 0.000 -2.215) 4.555 6.824 ( 15.292 0.000 -1.779) 15.395 6.871 ( 14.493 0.000 8.101) 16.604 6.944 ( -7.847 0.000 -5.938) 9.841 7.110 ( -2.419 0.000 -2.681) 3.611 7.209 ( 0.924 0.000 -3.245) 3.374 7.435 ( -8.822 0.000 -7.819) 11.788 7.493 ( 5.424 0.000 3.623) 6.523 7.662 ( 3.983 0.000 -1.640) 4.307 7.694 ( 3.940 0.000 -1.696) 4.290 8.220 ( -2.068 0.000 6.816) 7.123 8.370 ( 1.141 0.000 -0.588) 1.283 8.587 ( 1.828 0.000 -2.033) 2.734 8.680 ( -6.066 0.000 -8.215) 10.211 8.940 ( -1.990 0.000 8.835) 9.056 9.013 ( 2.271 0.000 2.029) 3.045 9.083 ( -1.935 0.000 6.641) 6.917 9.348 ( -6.472 0.000 -2.586) 6.969 9.552 ( -10.373 0.000 -4.618) 11.355 9.634 ( -4.286 0.000 4.732) 6.384 9.706 ( 6.752 0.000 1.873) 7.007 9.796 ( 4.485 0.000 3.907) 5.948 9.823 ( -1.928 0.000 1.329) 2.341 9.886 ( 1.163 0.000 -2.435) 2.698 9.963 ( 2.395 0.000 -2.855) 3.727 10.162 ( 11.421 0.000 -0.026) 11.421 10.497 ( -0.699 0.000 3.962) 4.024 10.651 ( -5.074 0.000 -6.639) 8.356 10.862 ( -4.875 0.000 -4.987) 6.974 10.919 ( -3.839 0.000 -5.108) 6.390 11.049 ( 2.611 0.000 2.307) 3.484 11.172 ( 6.973 0.000 -0.498) 6.990 11.268 ( 8.507 0.000 3.629) 9.249 11.297 ( -4.198 0.000 -6.170) 7.462 11.882 ( 2.518 0.000 3.588) 4.383 11.944 ( -0.712 0.000 -0.603) 0.934 12.302 ( -1.933 0.000 5.252) 5.597 12.386 ( -3.259 0.000 -3.461) 4.754 12.395 ( -0.527 0.000 5.476) 5.501 12.548 ( -1.263 0.000 0.172) 1.274 12.695 ( 0.426 0.000 1.393) 1.457 12.772 ( 2.420 0.000 -0.774) 2.541 12.959 ( 2.088 0.000 -0.852) 2.255 12.966 ( -0.735 0.000 -4.641) 4.698 13.090 ( -1.853 0.000 -1.217) 2.217 13.221 ( 7.824 0.000 0.808) 7.866 13.752 ( -7.498 0.000 -3.765) 8.390 13.779 ( 0.608 0.000 3.659) 3.709 14.066 ( -6.849 0.000 -7.797) 10.378 14.093 ( 6.196 0.000 2.196) 6.573 14.566 ( -3.335 0.000 0.084) 3.336 14.579 ( 0.150 0.000 1.844) 1.850 14.841 ( -0.464 0.000 0.748) 0.880 15.038 ( 2.458 0.000 -5.305) 5.847 15.270 ( -1.959 0.000 11.750) 11.912 15.302 ( -1.826 0.000 9.317) 9.494 15.492 ( 7.516 0.000 17.297) 18.859 15.596 ( -7.591 0.000 -5.605) 9.436 15.606 ( 1.677 0.000 -1.110) 2.011 15.922 ( 6.914 0.000 -1.447) 7.064 16.238 ( -7.806 0.000 -10.549) 13.123 16.298 ( 7.222 0.000 0.052) 7.222 16.658 ( -10.316 0.000 -6.921) 12.423 16.670 ( 1.146 0.000 2.141) 2.428 17.009 ( 6.697 0.000 7.236) 9.860 17.187 ( -5.430 0.000 -9.041) 10.546 17.315 ( 9.366 0.000 6.602) 11.459 17.403 ( -13.221 0.000 -14.467) 19.598 17.655 ( -0.551 0.000 2.026) 2.099 17.723 ( -0.696 0.000 -0.674) 0.969 18.096 ( -0.635 0.000 -2.394) 2.477 18.142 ( 0.340 0.000 -4.305) 4.318 18.501 ( 1.674 0.000 4.164) 4.488 18.525 ( -6.584 0.000 -2.550) 7.061 18.763 ( 5.270 0.000 5.885) 7.900 18.887 ( -1.394 0.000 -4.207) 4.432 18.964 ( 4.201 0.000 3.891) 5.726 19.017 ( -3.250 0.000 -4.180) 5.295 19.381 ( 9.632 0.000 10.104) 13.959 19.467 ( -9.432 0.000 -7.688) 12.168 19.610 ( 13.729 0.000 13.040) 18.935 19.661 ( -10.814 0.000 -10.057) 14.767 19.834 ( 1.646 0.000 -0.691) 1.785 19.906 ( 4.643 0.000 6.258) 7.792 19.945 ( -0.895 0.000 -5.791) 5.860 20.081 ( -3.013 0.000 -7.863) 8.420 20.470 ( 19.665 0.000 22.183) 29.645 20.693 ( -7.126 0.000 -5.916) 9.262 20.734 ( -0.604 0.000 1.774) 1.874 20.807 ( -13.436 0.000 -12.700) 18.488 21.716 ( 16.198 0.000 14.487) 21.731 21.828 ( -12.241 0.000 -12.421) 17.439 22.041 ( 4.143 0.000 2.669) 4.928 22.052 ( -2.722 0.000 -3.163) 4.173 22.163 ( 4.204 0.000 2.134) 4.715 22.194 ( -10.519 0.000 -11.299) 15.437 22.360 ( 3.143 0.000 4.498) 5.487 22.369 ( -4.380 0.000 -2.575) 5.080 22.861 ( -9.335 0.000 -9.764) 13.508 22.907 ( 4.477 0.000 0.509) 4.506 24.271 ( 16.309 0.000 18.559) 24.706 24.367 ( -17.662 0.000 -13.183) 22.040 25.373 ( 5.045 0.000 4.730) 6.916 25.387 ( -1.075 0.000 -1.110) 1.545 25.543 ( 11.876 0.000 8.502) 14.605 25.685 ( -6.256 0.000 -13.637) 15.003 25.988 ( -5.229 0.000 14.412) 15.331 26.245 ( 0.904 0.000 5.698) 5.770 26.401 ( 1.431 0.000 -0.802) 1.641 26.618 ( 0.487 0.000 -7.191) 7.208 26.970 ( -8.326 0.000 2.861) 8.804 27.177 ( -0.530 0.000 3.823) 3.860 27.236 ( 7.886 0.000 4.326) 8.995 27.333 ( 1.122 0.000 -0.325) 1.168 27.405 ( 2.041 0.000 1.368) 2.457 27.479 ( -6.703 0.000 -7.774) 10.264 27.945 ( 1.748 0.000 2.231) 2.834 28.041 ( -1.731 0.000 -5.422) 5.692 28.297 ( -0.669 0.000 1.204) 1.377 28.300 ( 0.245 0.000 2.984) 2.994 28.619 ( 6.840 0.000 7.649) 10.261 28.713 ( 16.387 0.000 16.359) 23.155 28.732 ( -3.557 0.000 -5.686) 6.707 28.922 ( -12.194 0.000 -12.761) 17.651 29.049 ( -1.648 0.000 -6.202) 6.417 29.085 ( 3.129 0.000 0.151) 3.133 29.250 ( 2.733 0.000 13.406) 13.681 29.617 ( -3.396 0.000 -3.672) 5.002 29.642 ( 2.444 0.000 1.649) 2.948 29.653 ( 2.641 0.000 0.250) 2.653 30.035 ( 3.847 0.000 9.178) 9.952 30.662 ( 15.896 0.000 -1.456) 15.962 31.226 ( -9.718 0.000 -13.185) 16.379 31.242 ( 7.718 0.000 -11.391) 13.759 31.480 ( 8.999 0.000 20.575) 22.457 31.710 ( -12.781 0.000 -8.363) 15.273 31.799 ( 5.031 0.000 5.552) 7.492 31.932 ( -6.817 0.000 -6.717) 9.570 32.172 ( -3.577 0.000 -7.192) 8.032 32.268 ( 2.177 0.000 -3.527) 4.145 32.513 ( -1.492 0.000 0.617) 1.614 32.607 ( 4.612 0.000 0.375) 4.627 32.799 ( 2.127 0.000 7.909) 8.190 32.976 ( -3.282 0.000 -10.147) 10.664 33.195 ( -4.047 0.000 11.566) 12.254 33.235 ( 1.102 0.000 -1.229) 1.651 33.502 ( -6.953 0.000 18.532) 19.793 34.366 ( -16.405 0.000 -19.558) 25.527 38.290 ( 3.161 0.000 -1.909) 3.693 38.302 ( 1.437 0.000 -2.693) 3.052 38.663 ( -1.709 0.000 5.119) 5.396 38.796 ( -0.072 0.000 -3.811) 3.812 39.379 ( -4.919 0.000 -0.984) 5.017 39.416 ( 3.880 0.000 2.602) 4.672 39.751 ( 2.338 0.000 6.973) 7.354 39.914 ( -2.584 0.000 -5.352) 5.943 41.150 ( 2.037 0.000 3.946) 4.441 41.220 ( -5.016 0.000 -2.568) 5.635 41.364 ( 2.426 0.000 2.230) 3.295 42.175 ( 20.989 0.000 -32.813) 38.951 42.299 ( 1.615 0.000 4.583) 4.860 42.385 ( -3.311 0.000 -2.741) 4.298 42.897 ( -14.692 0.000 13.347) 19.849 43.426 ( 8.142 0.000 0.408) 8.152 ======================= Grid point 69 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -38.945 0.000 10.832) 40.424 1.229 ( -37.181 0.000 -2.441) 37.261 1.893 ( -48.921 0.000 -36.992) 61.332 2.260 ( 7.410 0.000 -5.928) 9.490 2.591 ( 13.402 0.000 8.507) 15.874 2.873 ( 11.378 0.000 4.121) 12.101 3.138 ( -5.611 0.000 -0.209) 5.615 3.156 ( -1.447 0.000 -2.952) 3.287 3.207 ( 15.396 0.000 1.646) 15.484 3.280 ( -3.645 0.000 4.822) 6.045 3.286 ( 2.785 0.000 3.871) 4.768 3.499 ( -0.161 0.000 4.846) 4.848 3.558 ( 0.743 0.000 -0.788) 1.083 3.646 ( 6.971 0.000 -0.803) 7.017 3.878 ( 7.960 0.000 -10.471) 13.153 3.899 ( 6.674 0.000 -1.002) 6.749 4.036 ( 5.225 0.000 -1.479) 5.430 4.258 ( 5.737 0.000 -3.093) 6.518 4.443 ( -0.347 0.000 2.922) 2.943 4.496 ( 6.197 0.000 7.811) 9.970 4.606 ( 6.453 0.000 -0.604) 6.482 4.640 ( -6.099 0.000 4.806) 7.764 4.719 ( 1.419 0.000 -12.533) 12.613 4.862 ( -4.369 0.000 11.287) 12.103 5.018 ( 2.195 0.000 5.688) 6.097 5.222 ( 1.574 0.000 -15.989) 16.066 5.228 ( 3.377 0.000 -3.462) 4.837 5.343 ( -6.461 0.000 -5.812) 8.690 5.400 ( -2.956 0.000 8.119) 8.640 5.568 ( 12.523 0.000 -1.287) 12.589 5.591 ( -7.065 0.000 -10.426) 12.594 5.807 ( -5.677 0.000 5.300) 7.767 5.988 ( -6.447 0.000 -10.448) 12.277 6.129 ( -3.542 0.000 -6.334) 7.257 6.222 ( 5.122 0.000 -2.122) 5.544 6.302 ( -1.406 0.000 12.809) 12.886 6.478 ( 0.121 0.000 -4.718) 4.720 6.607 ( -4.301 0.000 -0.324) 4.313 6.648 ( 4.900 0.000 -5.080) 7.058 6.702 ( -4.844 0.000 0.232) 4.850 6.748 ( -1.039 0.000 10.728) 10.778 6.890 ( 2.073 0.000 7.951) 8.216 6.956 ( 3.423 0.000 -0.366) 3.443 7.125 ( 9.480 0.000 5.269) 10.846 7.151 ( 7.940 0.000 7.166) 10.696 7.167 ( 1.423 0.000 -4.668) 4.880 7.383 ( 2.765 0.000 3.414) 4.393 7.606 ( 2.800 0.000 1.176) 3.037 7.708 ( 1.280 0.000 -2.741) 3.025 7.733 ( 8.361 0.000 2.100) 8.621 8.330 ( -3.314 0.000 13.536) 13.936 8.332 ( -4.765 0.000 -2.678) 5.466 8.473 ( -5.108 0.000 -9.439) 10.733 8.544 ( 2.214 0.000 -3.923) 4.505 8.994 ( -0.435 0.000 3.556) 3.582 9.104 ( 4.337 0.000 3.580) 5.624 9.215 ( -3.898 0.000 12.440) 13.036 9.223 ( -5.633 0.000 -6.559) 8.646 9.397 ( -1.372 0.000 0.415) 1.433 9.518 ( -7.765 0.000 -2.842) 8.269 9.752 ( -3.480 0.000 2.120) 4.075 9.754 ( -4.420 0.000 -6.201) 7.615 9.809 ( -2.017 0.000 1.492) 2.509 9.897 ( 0.940 0.000 -1.733) 1.971 10.010 ( 2.905 0.000 -1.329) 3.194 10.356 ( 14.367 0.000 0.606) 14.380 10.536 ( -2.373 0.000 4.588) 5.165 10.566 ( 0.283 0.000 -0.987) 1.026 10.772 ( -2.506 0.000 -0.817) 2.636 10.795 ( -2.890 0.000 -5.226) 5.972 11.165 ( 5.306 0.000 7.174) 8.922 11.192 ( 1.406 0.000 -4.401) 4.620 11.286 ( 5.992 0.000 0.674) 6.029 11.434 ( 7.367 0.000 3.767) 8.274 11.909 ( -1.004 0.000 -2.652) 2.836 11.929 ( -0.349 0.000 1.258) 1.305 12.283 ( -4.529 0.000 -3.108) 5.493 12.317 ( -2.832 0.000 3.438) 4.454 12.438 ( -1.258 0.000 3.631) 3.843 12.499 ( -3.424 0.000 -2.588) 4.292 12.743 ( 3.141 0.000 2.780) 4.195 12.775 ( 0.847 0.000 -3.050) 3.165 12.911 ( -1.756 0.000 -0.908) 1.977 12.980 ( 0.515 0.000 0.179) 0.545 13.081 ( 3.629 0.000 -1.324) 3.863 13.353 ( 9.312 0.000 -0.295) 9.317 13.579 ( -9.956 0.000 -2.723) 10.322 13.770 ( -6.450 0.000 0.713) 6.489 13.920 ( -1.403 0.000 -5.929) 6.093 14.240 ( 6.908 0.000 5.102) 8.588 14.530 ( -2.365 0.000 0.915) 2.536 14.573 ( -2.570 0.000 -0.446) 2.609 14.887 ( 1.640 0.000 4.965) 5.229 15.008 ( 3.580 0.000 -6.207) 7.166 15.325 ( -10.699 0.000 -12.871) 16.737 15.366 ( -4.771 0.000 10.861) 11.862 15.384 ( -0.601 0.000 6.171) 6.200 15.585 ( -0.921 0.000 -3.265) 3.393 15.694 ( -1.003 0.000 3.322) 3.470 15.951 ( 5.160 0.000 -6.937) 8.646 16.112 ( 1.762 0.000 0.282) 1.784 16.499 ( 11.298 0.000 6.948) 13.264 16.522 ( -2.893 0.000 1.538) 3.277 16.760 ( 3.116 0.000 5.943) 6.710 16.930 ( -9.038 0.000 -12.880) 15.734 17.113 ( -7.351 0.000 -8.348) 11.123 17.174 ( 3.210 0.000 5.013) 5.953 17.539 ( 3.303 0.000 6.029) 6.875 17.658 ( -1.014 0.000 1.126) 1.515 17.823 ( 11.727 0.000 9.167) 14.885 18.066 ( 1.632 0.000 3.814) 4.149 18.152 ( 4.115 0.000 -2.513) 4.822 18.429 ( -3.505 0.000 0.005) 3.505 18.521 ( -3.601 0.000 0.880) 3.707 18.733 ( -5.897 0.000 -7.759) 9.746 18.881 ( -4.725 0.000 -6.555) 8.080 19.005 ( 1.812 0.000 0.997) 2.068 19.087 ( -6.929 0.000 -5.470) 8.828 19.153 ( 8.051 0.000 6.730) 10.493 19.488 ( -3.505 0.000 -7.442) 8.226 19.531 ( 2.701 0.000 2.819) 3.904 19.763 ( -20.781 0.000 -22.689) 30.767 19.828 ( -0.001 0.000 5.410) 5.410 19.885 ( 0.404 0.000 -3.597) 3.620 19.913 ( 1.375 0.000 5.028) 5.213 20.088 ( 11.780 0.000 9.029) 14.843 20.185 ( -13.863 0.000 -11.556) 18.048 20.683 ( -1.929 0.000 -0.820) 2.096 20.836 ( 2.872 0.000 2.315) 3.689 21.054 ( 15.890 0.000 19.093) 24.840 21.445 ( -10.689 0.000 -13.387) 17.131 21.967 ( -2.264 0.000 -2.119) 3.101 21.979 ( 3.581 0.000 3.621) 5.093 22.076 ( -1.678 0.000 -1.193) 2.059 22.145 ( 4.434 0.000 2.661) 5.172 22.308 ( -1.830 0.000 -0.833) 2.010 22.361 ( 5.494 0.000 7.731) 9.484 22.525 ( 11.035 0.000 9.846) 14.788 22.708 ( -4.761 0.000 -1.712) 5.060 23.138 ( 19.063 0.000 15.249) 24.412 23.896 ( -21.343 0.000 -16.459) 26.952 24.638 ( 8.988 0.000 10.656) 13.941 25.168 ( -18.243 0.000 -22.275) 28.792 25.433 ( -1.536 0.000 -2.623) 3.040 25.441 ( 2.596 0.000 1.533) 3.015 25.681 ( 0.212 0.000 0.075) 0.225 26.119 ( -3.964 0.000 17.456) 17.900 26.357 ( 3.911 0.000 -0.151) 3.914 26.507 ( 8.654 0.000 3.808) 9.455 26.605 ( 6.013 0.000 0.525) 6.036 26.822 ( -10.745 0.000 -1.624) 10.867 27.093 ( -6.376 0.000 -2.498) 6.848 27.219 ( -10.336 0.000 -8.459) 13.356 27.413 ( 4.286 0.000 -0.843) 4.368 27.422 ( 6.627 0.000 1.725) 6.848 27.477 ( 1.926 0.000 4.997) 5.356 27.944 ( -2.117 0.000 -4.995) 5.425 28.015 ( 2.300 0.000 3.859) 4.493 28.307 ( 0.109 0.000 1.058) 1.063 28.339 ( 0.650 0.000 1.443) 1.583 28.479 ( -11.153 0.000 -20.085) 22.974 28.717 ( 2.381 0.000 -1.477) 2.802 28.794 ( 7.531 0.000 7.072) 10.331 29.005 ( -1.566 0.000 -2.374) 2.844 29.069 ( 0.106 0.000 -1.323) 1.327 29.256 ( 18.438 0.000 16.533) 24.765 29.399 ( 1.264 0.000 5.382) 5.528 29.528 ( -3.519 0.000 -1.592) 3.863 29.701 ( 4.590 0.000 -2.101) 5.048 29.710 ( 3.018 0.000 2.248) 3.763 30.251 ( 6.543 0.000 13.056) 14.604 30.559 ( 10.219 0.000 -58.621) 59.505 30.959 ( -8.377 0.000 -7.270) 11.091 31.286 ( 7.979 0.000 5.371) 9.618 31.342 ( -17.808 0.000 -14.532) 22.985 31.720 ( -7.929 0.000 -7.765) 11.098 31.767 ( 0.454 0.000 9.115) 9.126 31.957 ( 4.972 0.000 6.656) 8.308 32.025 ( -5.123 0.000 -4.514) 6.828 32.217 ( -1.672 0.000 -4.011) 4.346 32.547 ( 2.589 0.000 3.152) 4.079 32.670 ( 4.519 0.000 -0.946) 4.617 32.849 ( -0.830 0.000 -3.986) 4.072 32.929 ( 0.590 0.000 7.869) 7.891 33.235 ( -1.388 0.000 0.663) 1.538 33.269 ( 4.769 0.000 0.667) 4.815 33.906 ( -6.162 0.000 73.704) 73.962 33.930 ( -11.552 0.000 -16.202) 19.899 38.256 ( 0.672 0.000 -7.966) 7.994 38.320 ( 2.763 0.000 -0.567) 2.820 38.683 ( -2.041 0.000 2.656) 3.349 38.756 ( -0.711 0.000 -1.223) 1.415 39.302 ( -3.161 0.000 -1.593) 3.540 39.532 ( 4.981 0.000 5.298) 7.271 39.802 ( -2.623 0.000 -6.665) 7.163 39.896 ( 2.665 0.000 11.502) 11.806 41.117 ( -5.053 0.000 -1.640) 5.312 41.217 ( -0.321 0.000 4.626) 4.637 41.417 ( 0.583 0.000 2.232) 2.306 41.867 ( 11.854 0.000 -58.686) 59.871 42.310 ( -2.247 0.000 -2.494) 3.356 42.408 ( 2.333 0.000 5.292) 5.784 42.923 ( -9.285 0.000 21.786) 23.682 43.550 ( 8.295 0.000 -0.288) 8.300 ======================= Grid point 70 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -51.013 0.000 -33.559) 61.062 0.779 ( -36.472 0.000 26.234) 44.927 1.052 ( -42.659 0.000 47.783) 64.055 2.332 ( 7.371 0.000 -1.524) 7.526 2.823 ( 5.804 0.000 2.868) 6.474 2.896 ( -0.573 0.000 -4.319) 4.357 3.063 ( -5.469 0.000 2.309) 5.936 3.124 ( 0.355 0.000 -0.411) 0.543 3.246 ( -1.025 0.000 0.122) 1.033 3.342 ( 0.307 0.000 0.992) 1.038 3.434 ( 5.305 0.000 -0.470) 5.326 3.554 ( 0.817 0.000 -0.615) 1.023 3.556 ( 3.817 0.000 -1.541) 4.116 3.772 ( 5.714 0.000 0.168) 5.717 3.929 ( 12.384 0.000 -5.154) 13.414 3.960 ( 1.655 0.000 -4.442) 4.740 4.044 ( 2.244 0.000 -3.475) 4.137 4.267 ( 3.055 0.000 -3.641) 4.753 4.346 ( -5.911 0.000 -9.096) 10.847 4.481 ( -3.028 0.000 3.025) 4.280 4.625 ( 1.610 0.000 -0.392) 1.657 4.675 ( 8.616 0.000 -5.249) 10.089 4.831 ( -2.726 0.000 8.716) 9.133 4.915 ( -5.126 0.000 -15.970) 16.772 5.078 ( 0.992 0.000 1.442) 1.750 5.097 ( 11.800 0.000 16.551) 20.327 5.218 ( -4.767 0.000 -1.061) 4.884 5.243 ( 3.478 0.000 -2.242) 4.138 5.369 ( -6.726 0.000 -0.548) 6.748 5.417 ( -7.943 0.000 7.206) 10.724 5.679 ( -8.017 0.000 -5.772) 9.879 5.795 ( 8.731 0.000 1.492) 8.858 5.821 ( -0.019 0.000 -4.249) 4.249 5.978 ( -5.098 0.000 -5.759) 7.691 6.138 ( -5.305 0.000 -7.749) 9.391 6.291 ( 0.224 0.000 -6.890) 6.893 6.398 ( 1.523 0.000 5.242) 5.459 6.630 ( -0.566 0.000 -6.207) 6.233 6.673 ( -3.439 0.000 8.973) 9.609 6.701 ( 0.588 0.000 2.049) 2.131 6.865 ( 1.836 0.000 -2.555) 3.146 6.956 ( -0.225 0.000 -4.421) 4.427 6.994 ( -1.123 0.000 6.480) 6.576 7.163 ( 5.946 0.000 1.364) 6.101 7.300 ( 5.533 0.000 0.598) 5.566 7.433 ( 5.854 0.000 6.061) 8.426 7.513 ( 5.209 0.000 4.852) 7.118 7.690 ( -0.430 0.000 -0.079) 0.437 7.737 ( 15.347 0.000 7.136) 16.925 7.870 ( 2.887 0.000 -0.525) 2.935 8.186 ( -5.790 0.000 -2.508) 6.310 8.223 ( -7.479 0.000 -1.790) 7.690 8.494 ( -1.322 0.000 10.284) 10.369 8.688 ( 14.744 0.000 3.074) 15.061 8.980 ( -11.263 0.000 -9.773) 14.912 9.028 ( -1.104 0.000 0.885) 1.415 9.202 ( 2.426 0.000 1.264) 2.735 9.220 ( -1.955 0.000 1.406) 2.408 9.401 ( -1.982 0.000 -6.071) 6.387 9.481 ( 1.621 0.000 5.101) 5.352 9.571 ( -6.712 0.000 -8.258) 10.642 9.692 ( -5.654 0.000 1.852) 5.950 9.827 ( 0.396 0.000 2.368) 2.401 9.907 ( 4.303 0.000 -0.970) 4.411 9.986 ( -2.348 0.000 0.870) 2.504 10.537 ( 5.219 0.000 -0.779) 5.277 10.574 ( 1.099 0.000 7.973) 8.048 10.602 ( 0.630 0.000 4.545) 4.588 10.748 ( -2.388 0.000 3.200) 3.993 10.758 ( 3.648 0.000 -1.909) 4.117 11.184 ( 1.847 0.000 -1.516) 2.390 11.314 ( 4.302 0.000 -2.453) 4.952 11.366 ( 4.440 0.000 -0.901) 4.530 11.634 ( 12.728 0.000 12.351) 17.736 11.874 ( -0.060 0.000 -0.394) 0.398 11.917 ( -1.801 0.000 0.420) 1.849 12.205 ( -3.265 0.000 -3.142) 4.532 12.316 ( -1.910 0.000 1.616) 2.502 12.439 ( 1.956 0.000 0.106) 1.959 12.442 ( -2.588 0.000 1.144) 2.830 12.752 ( 2.274 0.000 -2.984) 3.752 12.837 ( 3.063 0.000 3.575) 4.708 12.887 ( -2.310 0.000 1.840) 2.953 12.968 ( -1.671 0.000 -0.395) 1.717 13.166 ( 7.771 0.000 1.429) 7.901 13.418 ( -9.341 0.000 0.024) 9.341 13.468 ( 7.955 0.000 -1.315) 8.063 13.636 ( -7.643 0.000 -2.292) 7.979 13.826 ( -5.240 0.000 -3.342) 6.215 14.378 ( 1.957 0.000 3.430) 3.949 14.511 ( -1.913 0.000 0.929) 2.127 14.522 ( -1.623 0.000 -0.683) 1.761 14.948 ( -1.782 0.000 -2.390) 2.981 14.991 ( 4.598 0.000 -5.579) 7.229 15.089 ( -0.648 0.000 -2.067) 2.166 15.334 ( -9.601 0.000 -0.640) 9.622 15.417 ( -1.421 0.000 0.255) 1.443 15.532 ( 0.001 0.000 -2.548) 2.548 15.662 ( -1.439 0.000 -0.672) 1.588 15.930 ( 5.766 0.000 -7.701) 9.620 16.192 ( 0.943 0.000 4.558) 4.655 16.590 ( 2.380 0.000 6.066) 6.517 16.672 ( -6.498 0.000 -6.562) 9.235 16.722 ( 5.015 0.000 1.856) 5.348 16.817 ( -1.211 0.000 4.126) 4.300 16.982 ( -2.503 0.000 1.039) 2.710 17.227 ( -0.554 0.000 0.864) 1.026 17.567 ( -0.914 0.000 -0.484) 1.034 17.662 ( -1.151 0.000 1.217) 1.675 18.096 ( -4.495 0.000 -10.221) 11.166 18.114 ( 7.791 0.000 10.333) 12.941 18.228 ( -4.446 0.000 -5.302) 6.919 18.411 ( -1.593 0.000 1.408) 2.126 18.455 ( -8.039 0.000 -6.035) 10.052 18.595 ( -0.603 0.000 -2.126) 2.209 18.600 ( 8.645 0.000 12.333) 15.061 19.024 ( -4.074 0.000 -3.996) 5.707 19.141 ( -9.911 0.000 -11.358) 15.074 19.289 ( 2.426 0.000 0.620) 2.504 19.295 ( 10.356 0.000 10.255) 14.575 19.327 ( -5.885 0.000 -8.734) 10.532 19.570 ( 0.287 0.000 0.351) 0.454 19.884 ( 1.302 0.000 0.956) 1.616 19.916 ( 1.349 0.000 3.811) 4.042 19.985 ( 2.292 0.000 8.043) 8.363 20.002 ( -3.292 0.000 -3.064) 4.497 20.339 ( 6.303 0.000 3.137) 7.041 20.621 ( -1.831 0.000 -3.616) 4.053 20.868 ( 1.141 0.000 -2.782) 3.007 21.275 ( -0.329 0.000 -0.362) 0.489 21.380 ( 5.083 0.000 6.421) 8.190 21.937 ( -0.515 0.000 0.060) 0.519 22.002 ( -1.769 0.000 -3.463) 3.889 22.058 ( -0.667 0.000 0.924) 1.140 22.204 ( 1.167 0.000 0.106) 1.172 22.282 ( -0.365 0.000 -1.060) 1.121 22.406 ( -2.483 0.000 0.510) 2.535 22.653 ( -2.688 0.000 1.331) 2.999 22.897 ( 13.191 0.000 11.871) 17.746 23.371 ( -14.114 0.000 -13.106) 19.260 23.696 ( 11.085 0.000 11.999) 16.336 24.638 ( -8.889 0.000 -11.629) 14.637 24.785 ( 0.689 0.000 1.353) 1.518 25.421 ( 0.229 0.000 0.135) 0.266 25.494 ( 1.999 0.000 0.762) 2.139 25.649 ( -1.713 0.000 -0.587) 1.811 26.302 ( -3.366 0.000 -3.969) 5.204 26.352 ( 3.506 0.000 -5.178) 6.254 26.674 ( -2.710 0.000 2.224) 3.505 26.751 ( 6.110 0.000 4.699) 7.708 26.762 ( 15.150 0.000 17.689) 23.290 26.954 ( -6.067 0.000 -5.354) 8.091 26.966 ( -9.546 0.000 -5.411) 10.973 27.322 ( -6.789 0.000 -9.582) 11.743 27.463 ( 2.228 0.000 -3.803) 4.408 27.555 ( -0.198 0.000 3.688) 3.694 27.878 ( -0.163 0.000 -1.024) 1.037 28.072 ( 0.103 0.000 1.237) 1.241 28.081 ( -9.798 0.000 -10.495) 14.358 28.316 ( -0.161 0.000 -0.110) 0.195 28.354 ( 0.003 0.000 -0.631) 0.631 28.770 ( 3.673 0.000 -0.180) 3.677 28.942 ( 2.364 0.000 0.478) 2.411 28.947 ( -1.511 0.000 -1.285) 1.983 29.049 ( 0.713 0.000 0.449) 0.842 29.401 ( -25.079 0.000 -52.436) 58.125 29.441 ( 0.006 0.000 1.173) 1.173 29.494 ( -0.878 0.000 1.278) 1.551 29.551 ( 1.442 0.000 2.793) 3.143 29.800 ( 4.591 0.000 3.588) 5.826 29.803 ( -4.515 0.000 -2.813) 5.320 30.539 ( 11.990 0.000 8.670) 14.796 30.778 ( -9.882 0.000 -7.532) 12.425 30.924 ( -11.981 0.000 -6.018) 13.408 31.492 ( 4.789 0.000 6.468) 8.048 31.580 ( -2.155 0.000 -0.467) 2.205 31.716 ( -8.002 0.000 -2.895) 8.509 31.950 ( -1.625 0.000 1.541) 2.239 32.089 ( 3.252 0.000 3.478) 4.762 32.135 ( -3.098 0.000 -2.181) 3.789 32.610 ( 1.045 0.000 0.706) 1.261 32.714 ( 3.421 0.000 -1.134) 3.604 32.847 ( 1.733 0.000 0.567) 1.823 32.975 ( -3.865 0.000 2.957) 4.866 33.199 ( -1.072 0.000 -2.202) 2.449 33.385 ( 6.459 0.000 1.635) 6.663 33.662 ( -3.544 0.000 -6.229) 7.166 35.155 ( 26.861 0.000 36.214) 45.089 38.240 ( 10.120 0.000 15.817) 18.777 38.353 ( 1.980 0.000 0.365) 2.013 38.673 ( -2.337 0.000 0.841) 2.484 38.741 ( -0.384 0.000 -0.670) 0.772 39.256 ( -1.010 0.000 -0.845) 1.317 39.667 ( 0.062 0.000 -2.946) 2.946 39.684 ( 2.005 0.000 1.559) 2.539 40.107 ( 0.699 0.000 -2.526) 2.621 41.011 ( -9.144 0.000 -15.249) 17.781 41.077 ( -9.071 0.000 -6.842) 11.362 41.255 ( -2.476 0.000 4.792) 5.394 41.432 ( -0.822 0.000 0.489) 0.956 42.266 ( -0.226 0.000 -1.410) 1.428 42.460 ( -0.196 0.000 0.309) 0.366 43.342 ( 22.427 0.000 35.411) 41.915 43.647 ( 5.262 0.000 -0.227) 5.267 ======================= Grid point 71 (29/84) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 7.512 21.753 29.528) 37.437 1.181 ( 16.414 26.013 29.332) 42.502 2.058 ( 0.832 40.428 44.611) 60.210 2.493 ( 3.556 6.273 1.202) 7.310 2.712 ( -5.220 3.587 -9.513) 11.429 2.969 ( 1.434 0.322 3.703) 3.984 3.060 ( -1.186 -2.027 1.517) 2.796 3.138 ( 1.074 -2.247 1.105) 2.725 3.204 ( -2.477 -0.279 0.257) 2.506 3.365 ( 1.765 -0.008 -1.807) 2.526 3.449 ( -0.653 4.519 -2.128) 5.038 3.545 ( -3.616 -1.047 -2.002) 4.263 3.607 ( -0.558 1.196 1.364) 1.898 3.768 ( -3.152 0.516 -2.659) 4.156 3.940 ( -1.063 -5.116 -6.359) 8.231 4.034 ( 4.455 -1.158 -1.016) 4.713 4.098 ( 10.719 1.038 1.913) 10.938 4.232 ( 1.874 -0.037 -8.658) 8.858 4.259 ( -1.299 -5.519 6.501) 8.626 4.387 ( 0.247 -1.154 -4.286) 4.445 4.537 ( -9.006 -1.650 -9.782) 13.399 4.652 ( 5.777 -7.126 -1.338) 9.270 4.729 ( 2.839 1.304 -1.486) 3.459 4.829 ( -5.033 5.228 -0.240) 7.261 5.031 ( -5.094 -1.570 -1.126) 5.448 5.200 ( -0.076 -0.543 -2.899) 2.951 5.218 ( 4.243 -2.813 0.563) 5.122 5.365 ( -0.907 1.803 1.473) 2.498 5.384 ( -2.817 6.101 -1.374) 6.859 5.465 ( 2.145 -0.178 3.363) 3.993 5.615 ( 1.903 2.453 4.493) 5.461 5.836 ( 6.054 1.731 -7.418) 9.730 5.987 ( -0.063 2.110 6.136) 6.489 6.041 ( 0.180 0.253 -0.302) 0.433 6.073 ( 6.614 6.232 3.024) 9.577 6.177 ( -1.905 -6.105 -1.226) 6.512 6.355 ( 7.782 -3.821 2.482) 9.018 6.489 ( -4.510 -8.842 -7.004) 12.148 6.685 ( 1.311 -6.209 4.937) 8.040 6.715 ( -1.877 -0.013 -2.446) 3.083 6.836 ( -3.889 3.163 -1.097) 5.132 6.907 ( -3.911 0.921 -3.303) 5.202 6.969 ( -3.705 -1.660 -1.524) 4.336 7.202 ( -0.775 -2.642 -5.106) 5.802 7.365 ( -3.443 -4.620 -4.068) 7.053 7.398 ( -5.987 -6.913 6.965) 11.496 7.514 ( 2.318 3.713 -0.698) 4.433 7.568 ( -1.473 -3.351 0.760) 3.739 7.669 ( 2.606 -3.410 4.280) 6.061 7.840 ( 1.169 0.591 -10.352) 10.434 8.117 ( 2.519 -5.612 5.069) 7.971 8.271 ( 4.161 0.174 -0.399) 4.183 8.508 ( -7.861 -1.473 1.967) 8.236 8.743 ( -1.096 -2.793 -1.113) 3.200 8.907 ( 3.098 -0.165 0.015) 3.102 8.969 ( -4.975 4.639 -6.945) 9.721 9.128 ( -2.593 -2.358 0.155) 3.508 9.263 ( 1.661 -2.955 -10.218) 10.766 9.307 ( 2.807 4.007 0.223) 4.898 9.324 ( 0.824 2.929 1.679) 3.475 9.645 ( -0.120 -0.230 -3.408) 3.418 9.735 ( 4.601 -9.167 6.048) 11.907 9.890 ( 3.698 -1.779 6.169) 7.409 9.914 ( -1.924 12.794 -0.682) 12.956 10.074 ( -3.704 0.089 -1.800) 4.119 10.484 ( -3.584 -1.842 -0.467) 4.056 10.538 ( -0.831 -6.911 1.321) 7.085 10.678 ( -1.189 -2.389 8.507) 8.916 10.756 ( 2.015 -1.937 0.192) 2.801 10.944 ( 1.715 5.518 5.432) 7.930 11.144 ( -3.186 -7.444 -2.884) 8.595 11.211 ( 3.080 -1.398 1.117) 3.562 11.377 ( 0.379 0.013 -2.435) 2.464 11.592 ( -5.067 -4.479 -2.996) 7.397 11.913 ( -3.184 1.572 0.409) 3.574 11.996 ( 2.088 7.753 -1.103) 8.105 12.126 ( 1.917 -3.465 1.253) 4.153 12.289 ( 0.361 -5.078 1.538) 5.318 12.334 ( -2.201 3.253 -1.999) 4.407 12.524 ( 1.185 6.092 -4.844) 7.873 12.717 ( 0.745 -3.646 1.805) 4.136 12.869 ( -0.845 2.180 -2.072) 3.124 12.970 ( -1.678 2.380 1.347) 3.209 13.013 ( 2.051 5.611 -1.358) 6.127 13.297 ( 8.166 -2.987 4.307) 9.704 13.326 ( -5.095 -1.483 3.586) 6.404 13.521 ( 2.082 -1.714 -0.693) 2.784 13.636 ( -3.525 2.848 -0.533) 4.563 13.847 ( 4.032 3.299 5.380) 7.489 14.273 ( -6.782 -6.113 -5.126) 10.471 14.466 ( 3.332 1.842 2.044) 4.322 14.604 ( -3.496 3.495 -2.741) 5.653 14.899 ( 0.335 3.743 -0.324) 3.772 15.052 ( 3.775 2.342 -1.984) 4.865 15.174 ( 5.674 -2.789 3.720) 7.336 15.229 ( -1.717 1.606 2.813) 3.666 15.291 ( -3.366 -3.320 -6.043) 7.673 15.591 ( 2.938 5.176 -2.699) 6.535 15.661 ( 0.245 -0.315 4.171) 4.190 15.935 ( 2.633 -1.165 -6.161) 6.801 16.217 ( -3.324 0.487 0.902) 3.479 16.501 ( -2.449 0.431 -0.578) 2.553 16.525 ( -3.493 -10.363 -3.393) 11.450 16.799 ( -3.981 0.416 -3.798) 5.518 16.861 ( 8.044 -0.365 9.309) 12.308 17.131 ( -2.143 7.677 0.877) 8.019 17.389 ( -2.080 9.016 -7.958) 12.204 17.529 ( 0.534 -2.008 0.676) 2.185 17.629 ( -0.205 2.251 -0.201) 2.269 17.902 ( -9.353 -0.837 -9.692) 13.495 18.055 ( -6.153 -1.194 -4.733) 7.854 18.112 ( 0.124 -0.955 -2.822) 2.982 18.334 ( -3.289 -3.267 -1.355) 4.829 18.500 ( -0.897 1.831 -5.333) 5.709 18.665 ( 6.061 0.586 4.638) 7.655 18.794 ( 15.501 1.035 15.214) 21.744 19.036 ( -1.475 0.858 -1.697) 2.406 19.101 ( -3.529 0.299 -4.757) 5.931 19.233 ( -0.245 0.012 -0.207) 0.321 19.481 ( 11.530 -2.476 11.896) 16.751 19.546 ( 10.816 -0.997 14.309) 17.965 19.570 ( 2.289 1.394 0.130) 2.683 19.883 ( 2.104 -2.598 2.908) 4.431 19.917 ( -6.087 -1.478 3.349) 7.104 19.965 ( 1.442 -1.109 0.785) 1.981 20.083 ( 0.182 4.844 0.546) 4.878 20.319 ( -6.699 7.559 -3.354) 10.642 20.591 ( 4.648 0.455 1.640) 4.950 20.733 ( -3.072 -6.061 -5.518) 8.753 21.339 ( -8.318 7.575 -6.323) 12.906 21.407 ( 5.868 1.321 6.390) 8.776 21.928 ( 0.735 -0.898 1.172) 1.649 21.980 ( -0.112 1.980 -0.188) 1.992 22.046 ( 0.501 -3.211 2.875) 4.339 22.170 ( -1.187 -2.147 -1.712) 2.992 22.279 ( 0.602 1.097 -1.409) 1.884 22.383 ( -0.881 1.236 -0.777) 1.705 22.543 ( -5.226 -9.029 -1.714) 10.572 22.769 ( -12.023 3.776 -11.700) 17.196 23.313 ( -20.286 -9.488 -19.895) 29.956 23.700 ( 19.466 9.834 18.243) 28.433 24.751 ( -1.597 3.919 -5.591) 7.012 25.007 ( 15.725 4.419 18.332) 24.553 25.444 ( 1.046 0.054 2.173) 2.412 25.484 ( -1.674 -0.372 -1.389) 2.207 25.682 ( 1.352 1.746 1.622) 2.740 25.857 ( -6.558 -5.943 1.771) 9.026 26.289 ( 2.482 -8.667 -4.601) 10.122 26.604 ( -2.293 -4.619 -2.507) 5.734 26.750 ( -2.099 0.583 4.030) 4.581 26.839 ( -10.485 8.785 -12.161) 18.303 26.960 ( 8.826 -0.989 4.072) 9.770 27.123 ( -0.314 3.323 -0.467) 3.370 27.288 ( -0.126 -7.791 -6.581) 10.200 27.493 ( -2.931 -1.221 -2.257) 3.896 27.628 ( -3.672 4.045 -5.858) 8.010 27.886 ( 3.721 -2.506 2.963) 5.376 28.186 ( -0.582 7.557 2.124) 7.872 28.249 ( 3.940 -3.950 -3.223) 6.443 28.313 ( 0.193 0.262 -0.531) 0.623 28.415 ( 14.564 -0.216 6.492) 15.948 28.786 ( 0.458 -0.574 1.089) 1.314 28.842 ( 1.435 -1.861 0.039) 2.351 28.892 ( 8.758 -10.299 13.121) 18.840 29.040 ( 1.578 2.655 0.479) 3.125 29.194 ( 7.045 -2.543 1.758) 7.693 29.434 ( -4.980 1.265 -3.092) 5.997 29.519 ( -0.944 3.128 -4.943) 5.926 29.696 ( 4.901 2.226 -5.568) 7.744 29.773 ( -2.736 -0.815 -0.541) 2.905 29.933 ( 3.892 3.223 -15.288) 16.102 30.289 ( -13.990 -2.692 -17.242) 22.366 30.989 ( 16.682 4.108 6.746) 18.457 31.083 ( 13.318 6.368 8.625) 17.097 31.405 ( -9.713 0.187 -3.688) 10.392 31.550 ( -1.373 -5.009 2.905) 5.951 31.755 ( 2.271 5.329 3.169) 6.603 31.959 ( 0.551 -0.758 1.047) 1.405 32.125 ( -3.185 4.900 1.662) 6.076 32.220 ( 2.987 1.327 6.241) 7.046 32.570 ( -2.390 -1.250 -2.048) 3.387 32.730 ( -1.451 -2.988 0.763) 3.409 32.793 ( 1.308 -4.447 2.090) 5.085 32.952 ( -1.734 2.348 -3.519) 4.572 33.048 ( -2.808 -6.856 -0.395) 7.419 33.366 ( -3.287 -1.629 -6.529) 7.490 33.809 ( 7.329 4.142 13.817) 16.180 34.305 ( -34.427 -5.875 6.458) 35.516 38.236 ( 0.576 -0.895 0.644) 1.244 38.511 ( -1.000 -4.989 -7.064) 8.706 38.679 ( -0.743 -1.831 0.305) 1.999 39.090 ( 3.579 3.219 -14.233) 15.025 39.358 ( 0.143 20.200 -4.346) 20.663 39.605 ( -3.436 6.403 -5.036) 8.841 39.841 ( -8.332 4.183 2.960) 9.782 39.862 ( -1.063 5.193 3.837) 6.543 40.988 ( 0.075 -5.948 4.170) 7.264 41.250 ( 6.728 -7.695 6.476) 12.101 41.412 ( 0.700 7.151 -2.345) 7.558 41.682 ( 23.606 6.967 -3.665) 24.884 42.272 ( 1.864 0.111 0.113) 1.871 42.414 ( -0.716 -1.774 -1.935) 2.721 43.250 ( -10.523 -31.141 25.955) 41.883 43.621 ( 0.478 -9.492 -0.622) 9.524 ======================= Grid point 72 (30/84) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 9.076 9.555 29.202) 32.038 1.751 ( 8.740 13.566 28.913) 33.112 2.387 ( -12.273 7.411 -19.837) 24.475 2.489 ( 2.707 8.188 -1.343) 8.728 2.759 ( 6.744 4.881 21.624) 23.172 2.987 ( -2.156 4.279 10.008) 11.095 3.081 ( -3.980 1.379 -3.726) 5.624 3.145 ( 0.580 -1.012 5.243) 5.371 3.169 ( -0.531 -1.105 0.096) 1.230 3.302 ( -7.971 3.399 -6.623) 10.907 3.372 ( -2.613 3.276 -3.535) 5.483 3.491 ( -3.217 4.295 6.650) 8.545 3.593 ( -5.011 0.684 1.523) 5.282 3.687 ( 0.228 0.335 1.750) 1.797 3.775 ( -2.729 -8.552 -12.357) 15.274 4.041 ( -2.427 -2.794 1.963) 4.189 4.202 ( 5.929 -0.229 -4.111) 7.218 4.246 ( 2.881 -0.384 -1.380) 3.217 4.284 ( -4.858 -1.930 -4.955) 7.203 4.348 ( 0.651 -1.345 4.869) 5.093 4.396 ( 1.600 -0.153 -2.199) 2.724 4.657 ( 1.802 2.052 -1.612) 3.171 4.689 ( -6.368 3.598 -5.116) 8.926 4.809 ( 9.381 0.824 0.816) 9.453 4.981 ( -2.542 5.216 -2.872) 6.474 5.110 ( 0.801 -0.207 -9.311) 9.347 5.289 ( 1.797 0.559 1.068) 2.164 5.309 ( 5.332 4.598 -1.840) 7.277 5.452 ( 1.867 0.132 3.455) 3.929 5.522 ( -0.402 0.393 2.128) 2.201 5.652 ( 3.428 -9.192 -3.926) 10.567 5.828 ( 1.978 -2.031 -1.889) 3.406 5.965 ( -3.766 -0.415 2.937) 4.794 6.062 ( -1.266 -2.876 3.234) 4.509 6.188 ( 2.675 -5.649 -0.285) 6.257 6.250 ( 2.597 -1.385 -1.107) 3.144 6.402 ( 1.625 -0.083 0.005) 1.627 6.500 ( 5.582 1.611 1.886) 6.109 6.601 ( -14.790 -1.467 -13.430) 20.032 6.710 ( 7.071 -2.643 0.331) 7.556 6.795 ( -5.503 0.950 -1.585) 5.805 6.799 ( -3.307 -0.876 4.389) 5.564 6.899 ( 0.989 -8.364 6.854) 10.859 7.068 ( -6.645 0.867 -5.546) 8.699 7.229 ( -3.837 5.612 -1.846) 7.045 7.325 ( -7.306 -6.379 -1.127) 9.764 7.523 ( -4.117 -2.656 3.355) 5.938 7.596 ( -0.776 2.847 4.242) 5.167 7.743 ( 1.014 3.079 -5.916) 6.746 7.791 ( 3.988 -1.490 0.420) 4.278 8.279 ( 7.656 1.842 4.682) 9.161 8.320 ( -1.773 -12.669 -4.419) 13.534 8.406 ( -2.923 7.304 1.907) 8.095 8.689 ( 1.263 -0.866 0.423) 1.588 8.844 ( -6.144 7.795 -1.367) 10.019 8.961 ( 2.962 -8.111 0.139) 8.636 9.028 ( -4.653 -4.799 -1.913) 6.953 9.294 ( 10.252 2.748 -4.534) 11.541 9.330 ( 0.575 6.966 -0.020) 6.989 9.380 ( 5.034 0.481 -1.569) 5.295 9.640 ( 1.623 -6.115 2.807) 6.921 9.823 ( 2.396 -2.664 -2.477) 4.356 9.897 ( -3.324 3.752 2.026) 5.406 9.958 ( -4.391 -4.074 -2.778) 6.602 10.086 ( 6.494 4.619 9.689) 12.545 10.363 ( -5.840 1.663 -9.142) 10.974 10.524 ( -4.098 -7.018 4.211) 9.153 10.753 ( -2.753 0.212 6.972) 7.498 10.811 ( 5.623 -5.869 -0.161) 8.130 11.014 ( -1.962 -0.120 4.998) 5.371 11.076 ( -2.164 -3.663 0.720) 4.316 11.261 ( -1.822 0.676 0.701) 2.066 11.364 ( 1.280 -0.038 0.600) 1.414 11.436 ( -3.720 2.430 -5.486) 7.059 11.854 ( -4.546 -0.484 -0.476) 4.596 12.001 ( 0.361 4.538 -1.684) 4.854 12.156 ( -2.092 -3.440 -0.202) 4.031 12.278 ( -1.209 -3.092 0.511) 3.359 12.354 ( 6.473 1.586 -0.788) 6.711 12.496 ( 2.439 5.602 -3.982) 7.293 12.743 ( -1.383 -0.129 1.177) 1.820 12.834 ( -0.117 -0.531 -0.760) 0.934 12.920 ( -4.722 -0.505 0.060) 4.749 13.054 ( 3.134 5.282 -0.098) 6.142 13.265 ( -7.807 -2.550 3.023) 8.752 13.425 ( -5.254 -1.729 -1.150) 5.650 13.538 ( 8.720 -0.273 3.459) 9.385 13.637 ( 5.522 0.573 -1.835) 5.847 14.006 ( 5.697 1.407 7.298) 9.365 14.125 ( -4.976 -3.860 -4.073) 7.500 14.518 ( -1.950 1.623 -2.987) 3.919 14.529 ( 2.963 1.818 0.971) 3.609 14.914 ( -0.397 4.243 2.289) 4.837 15.039 ( -1.546 0.760 -4.153) 4.496 15.186 ( -0.509 -2.373 -3.664) 4.395 15.230 ( 2.695 2.602 0.244) 3.754 15.344 ( 2.428 -3.178 6.104) 7.298 15.527 ( -2.252 10.074 -8.894) 13.626 15.696 ( 0.340 2.568 -0.155) 2.595 15.901 ( 1.452 -6.212 -4.621) 7.877 16.240 ( 2.137 -2.318 7.036) 7.710 16.387 ( -4.445 -4.519 -4.546) 7.800 16.570 ( 5.345 3.616 5.767) 8.655 16.653 ( -3.701 1.180 -5.303) 6.574 17.071 ( 3.213 -2.212 3.448) 5.207 17.143 ( 1.234 -1.594 0.872) 2.197 17.364 ( 2.018 1.085 3.461) 4.151 17.498 ( -6.603 3.488 -7.628) 10.675 17.583 ( 1.077 2.015 2.323) 3.259 17.663 ( -0.111 -0.123 -1.964) 1.971 18.073 ( 3.677 -1.306 5.251) 6.542 18.143 ( 0.473 -0.957 -1.627) 1.946 18.297 ( 0.706 -5.587 1.720) 5.889 18.441 ( 0.776 -1.668 -4.919) 5.252 18.808 ( 5.337 -1.575 5.031) 7.502 18.883 ( -6.074 2.050 -6.722) 9.289 19.057 ( 1.712 4.497 2.738) 5.536 19.103 ( -5.027 4.372 -4.385) 7.976 19.303 ( 14.027 2.156 11.843) 18.484 19.461 ( -4.946 1.458 -9.344) 10.673 19.644 ( 1.912 -3.053 7.122) 7.981 19.825 ( -7.564 -0.699 -1.912) 7.833 19.889 ( -3.090 -2.284 -5.140) 6.417 19.925 ( 4.437 -2.833 4.476) 6.910 19.949 ( -5.226 -3.602 3.484) 7.241 20.150 ( 3.479 2.829 5.925) 7.431 20.426 ( 12.141 -3.821 7.870) 14.965 20.539 ( -8.695 -3.980 -11.193) 14.722 20.753 ( 10.200 11.812 12.607) 20.062 20.992 ( -13.201 14.806 -14.464) 24.550 21.706 ( 11.835 -1.291 13.840) 18.256 21.854 ( -8.809 -0.563 -9.814) 13.200 22.031 ( 3.154 -0.671 4.412) 5.465 22.084 ( -1.653 -2.477 -0.108) 2.980 22.121 ( -0.096 -2.387 1.487) 2.814 22.244 ( -2.483 -2.947 -2.976) 4.869 22.313 ( -1.010 3.223 -1.497) 3.695 22.384 ( -2.749 1.250 -3.918) 4.946 22.734 ( 6.203 -4.650 7.013) 10.454 22.900 ( -6.288 -6.848 -9.640) 13.393 24.207 ( 17.392 8.531 17.302) 25.973 24.458 ( -12.990 8.150 -17.316) 23.130 25.391 ( 3.649 -0.463 4.729) 5.991 25.421 ( -3.355 0.319 -2.634) 4.278 25.576 ( 4.678 0.026 8.973) 10.119 25.706 ( 0.052 -2.576 3.020) 3.970 25.836 ( -0.988 -3.928 2.483) 4.751 26.172 ( -5.279 -8.007 -11.003) 14.596 26.527 ( -2.226 3.579 -0.233) 4.221 26.628 ( -0.472 3.717 -3.435) 5.083 26.835 ( 0.687 -0.242 5.371) 5.420 27.089 ( -0.349 -1.850 -0.685) 2.004 27.154 ( 3.456 -7.098 -1.397) 8.017 27.246 ( 5.311 -5.925 -3.040) 8.517 27.409 ( -2.451 2.511 -0.610) 3.562 27.499 ( -1.682 3.966 -3.024) 5.264 27.955 ( 0.590 -2.141 2.111) 3.064 28.104 ( -2.194 -0.250 -5.458) 5.888 28.270 ( -0.066 4.257 1.272) 4.444 28.300 ( -0.313 0.737 -0.227) 0.832 28.680 ( 6.279 -1.914 7.459) 9.936 28.744 ( -4.820 2.409 -2.262) 5.844 28.836 ( -0.415 0.279 -0.777) 0.924 28.933 ( -4.298 3.808 -7.903) 9.769 29.132 ( -0.114 0.146 5.051) 5.054 29.164 ( -7.536 -1.623 -2.846) 8.218 29.255 ( -9.161 -4.256 -6.190) 11.847 29.518 ( 8.930 0.569 -0.873) 8.991 29.655 ( -4.687 -0.952 -3.475) 5.911 29.726 ( -0.473 -0.162 0.545) 0.739 29.997 ( -3.556 -0.858 -7.744) 8.564 30.152 ( 30.724 -19.270 -5.251) 36.645 31.128 ( -8.837 2.090 -6.556) 11.201 31.244 ( 11.615 5.730 0.822) 12.977 31.460 ( 12.461 2.081 8.847) 15.423 31.506 ( -3.954 -1.581 -4.204) 5.984 31.845 ( 3.839 3.604 3.760) 6.470 31.912 ( -1.858 4.251 -3.175) 5.622 32.205 ( 1.756 -1.389 8.614) 8.901 32.314 ( -0.552 0.927 3.322) 3.493 32.521 ( -0.791 0.176 1.027) 1.308 32.698 ( -2.506 -3.043 -2.300) 4.564 32.780 ( -3.785 3.026 -7.124) 8.616 32.866 ( 1.139 -1.574 2.211) 2.943 33.091 ( -0.354 -7.234 6.177) 9.519 33.274 ( 0.108 -3.475 -4.646) 5.803 33.882 ( -21.776 10.661 8.400) 25.659 34.208 ( 12.419 2.546 12.546) 17.836 38.257 ( -0.856 -4.736 2.104) 5.252 38.418 ( -0.422 -4.984 -5.277) 7.271 38.655 ( -2.888 2.989 -0.199) 4.161 38.951 ( 0.117 2.482 -8.859) 9.201 39.344 ( -2.382 10.730 5.546) 12.311 39.520 ( -1.108 8.249 -3.758) 9.132 39.763 ( -5.848 2.190 2.673) 6.793 39.983 ( 4.644 4.960 3.956) 7.862 41.038 ( -1.089 -6.853 4.001) 8.010 41.284 ( -1.454 -4.628 -0.913) 4.936 41.408 ( 0.719 9.452 -0.019) 9.479 41.898 ( 18.185 1.164 -11.625) 21.614 42.322 ( 3.307 -0.205 1.508) 3.640 42.380 ( 1.417 -0.632 -3.871) 4.170 43.283 ( -18.389 -20.051 15.889) 31.506 43.569 ( -6.098 -9.350 -0.994) 11.207 ======================= Grid point 73 (31/84) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -28.003 11.654 -26.632) 40.364 2.133 ( 6.238 4.309 13.645) 15.610 2.189 ( 6.954 11.255 17.041) 21.574 2.428 ( 3.673 4.429 -11.474) 12.836 2.800 ( -8.281 -6.216 4.997) 11.497 2.924 ( -8.497 2.394 -2.506) 9.177 2.998 ( -14.802 -1.759 -1.964) 15.035 3.140 ( -2.838 2.442 1.130) 3.911 3.248 ( -0.120 -3.161 8.107) 8.702 3.267 ( -1.085 3.372 -4.252) 5.534 3.307 ( 4.898 -2.498 2.388) 5.995 3.504 ( -3.702 0.386 3.180) 4.895 3.592 ( -2.608 -6.576 -1.683) 7.271 3.616 ( -1.407 2.410 -1.182) 3.031 3.773 ( -0.638 2.514 6.052) 6.584 4.091 ( 1.486 0.593 5.550) 5.776 4.111 ( -3.615 -4.543 -5.594) 8.062 4.233 ( 8.692 -2.389 -8.517) 12.402 4.318 ( -1.731 -3.020 -0.839) 3.580 4.334 ( 0.936 -6.452 -3.855) 7.574 4.398 ( 1.398 8.302 1.308) 8.520 4.557 ( -1.468 5.012 -4.863) 7.136 4.715 ( 2.328 6.754 -4.111) 8.242 4.798 ( -1.867 5.477 -1.632) 6.012 5.030 ( 7.607 -1.673 8.307) 11.387 5.149 ( 4.515 7.166 1.794) 8.658 5.307 ( 2.531 1.244 0.968) 2.982 5.362 ( 3.332 2.046 -4.881) 6.254 5.506 ( -2.674 4.959 1.319) 5.786 5.553 ( 4.477 0.284 5.681) 7.239 5.647 ( 5.383 -12.300 -7.811) 15.533 5.860 ( 4.678 -5.543 2.207) 7.582 6.014 ( -0.931 1.109 1.206) 1.884 6.070 ( -4.582 -1.435 5.771) 7.508 6.185 ( 1.098 -4.897 -1.443) 5.222 6.240 ( 0.837 -3.797 -4.235) 5.749 6.294 ( 1.214 1.285 -6.842) 7.066 6.403 ( -2.096 -0.115 -1.241) 2.439 6.492 ( -6.836 2.413 1.957) 7.509 6.694 ( -7.704 -6.307 -4.294) 10.843 6.791 ( -0.533 0.688 1.326) 1.586 6.798 ( -8.344 -5.139 -2.614) 10.142 6.895 ( 1.207 4.322 3.820) 5.893 7.026 ( -2.058 -5.949 3.848) 7.378 7.245 ( 3.683 4.538 5.978) 8.360 7.347 ( -0.847 -2.921 6.970) 7.605 7.451 ( -6.684 -2.073 -0.308) 7.005 7.609 ( 0.516 7.073 -3.721) 8.008 7.671 ( 2.897 6.403 -0.463) 7.043 7.805 ( -1.648 0.589 -3.037) 3.506 8.211 ( -3.222 -11.707 2.002) 12.306 8.339 ( -1.639 -3.228 -6.380) 7.335 8.446 ( 1.247 5.445 1.474) 5.777 8.710 ( -0.945 -1.518 -2.897) 3.405 8.826 ( 6.159 2.140 3.247) 7.284 8.986 ( -1.097 -5.197 1.125) 5.429 9.037 ( 1.766 -6.142 6.321) 8.989 9.340 ( 1.130 0.007 -2.507) 2.750 9.361 ( 6.807 4.650 -5.092) 9.690 9.424 ( 5.399 3.480 -0.795) 6.472 9.738 ( 3.669 -4.826 4.337) 7.454 9.754 ( -2.703 -0.283 -3.493) 4.426 9.827 ( -4.446 -1.599 -1.738) 5.034 9.946 ( 0.196 -0.410 2.016) 2.067 10.128 ( -6.759 1.232 -9.256) 11.527 10.272 ( 0.678 7.994 6.882) 10.570 10.507 ( -4.237 -3.887 2.751) 6.374 10.772 ( 1.050 -2.691 0.235) 2.898 10.911 ( 2.199 -4.359 3.911) 6.256 11.004 ( -0.394 -2.173 -0.231) 2.221 11.115 ( -1.146 2.905 4.801) 5.727 11.204 ( -2.561 2.175 -1.843) 3.832 11.278 ( -2.709 1.871 -4.178) 5.319 11.489 ( 2.329 -0.043 4.829) 5.361 11.767 ( -5.264 -2.019 -2.903) 6.342 11.981 ( -0.536 4.703 0.161) 4.737 12.119 ( 0.124 -2.486 -0.515) 2.542 12.258 ( -1.523 -1.157 -0.972) 2.145 12.440 ( 5.443 0.278 -0.935) 5.530 12.494 ( 1.813 1.169 -1.269) 2.503 12.702 ( -3.271 4.532 -0.364) 5.601 12.833 ( -3.692 -2.758 0.834) 4.683 12.871 ( 1.407 -4.908 -0.664) 5.149 13.093 ( 2.048 4.424 -0.043) 4.875 13.166 ( -7.977 -5.408 -0.177) 9.639 13.306 ( -6.832 2.258 -0.625) 7.222 13.650 ( 5.361 0.718 -3.334) 6.354 13.764 ( 7.861 -1.006 4.375) 9.053 14.013 ( -2.392 -2.235 -3.656) 4.907 14.208 ( 7.308 -0.437 8.396) 11.140 14.487 ( 1.050 -0.099 -1.125) 1.542 14.597 ( 3.382 2.992 2.981) 5.411 14.922 ( -1.228 2.585 -3.150) 4.256 14.959 ( -2.388 -1.294 1.224) 2.979 15.151 ( -0.854 -2.005 -1.926) 2.908 15.195 ( -5.153 9.441 -7.464) 13.092 15.391 ( -2.841 15.424 0.161) 15.684 15.428 ( 2.894 -5.477 1.730) 6.432 15.664 ( -0.539 2.539 -3.678) 4.501 15.842 ( -2.244 -7.400 -4.003) 8.707 16.337 ( 1.541 -1.875 0.274) 2.442 16.406 ( 3.800 -6.695 7.709) 10.894 16.618 ( 2.877 -0.972 -0.614) 3.098 16.801 ( 10.279 1.948 9.974) 14.455 16.941 ( -4.274 2.850 -6.137) 8.003 17.169 ( -0.286 -5.459 -1.627) 5.703 17.378 ( -1.537 5.038 -0.772) 5.323 17.570 ( 0.816 0.012 0.112) 0.823 17.610 ( 6.915 -0.497 5.844) 9.067 17.796 ( 9.326 4.862 9.306) 14.044 18.138 ( 4.981 -7.092 2.398) 8.992 18.147 ( -0.262 0.594 -1.003) 1.194 18.352 ( 2.537 -7.601 2.842) 8.503 18.447 ( 3.461 -3.613 0.498) 5.028 18.716 ( -4.042 4.287 -6.030) 8.431 18.910 ( -5.445 0.211 -4.782) 7.249 18.975 ( -1.196 0.816 0.836) 1.671 19.137 ( -3.406 3.833 -4.434) 6.779 19.185 ( -0.411 3.905 -1.985) 4.400 19.513 ( 0.513 -2.428 1.626) 2.967 19.557 ( -15.042 -1.800 -10.206) 18.267 19.691 ( -9.382 -6.039 -7.602) 13.501 19.848 ( -1.115 -1.224 0.824) 1.850 19.906 ( 0.841 0.151 1.772) 1.967 20.006 ( 3.163 -1.850 4.090) 5.492 20.220 ( -4.698 5.466 -7.143) 10.147 20.271 ( 2.559 1.025 4.959) 5.674 20.556 ( -0.307 -2.383 -1.386) 2.774 20.736 ( -3.904 7.427 -6.251) 10.463 21.184 ( 13.792 9.262 15.452) 22.689 21.512 ( -12.809 -2.851 -11.594) 17.511 21.942 ( 4.183 -0.146 3.232) 5.288 22.012 ( -1.578 0.054 -1.577) 2.231 22.085 ( -0.279 -2.775 1.843) 3.343 22.175 ( 0.378 -1.630 0.714) 1.819 22.238 ( 0.575 0.943 -2.422) 2.662 22.414 ( 4.261 1.628 2.417) 5.162 22.488 ( 15.235 0.222 17.275) 23.034 22.819 ( 3.283 -4.406 -2.122) 5.890 23.096 ( 19.359 -5.532 21.224) 29.254 23.963 ( -18.460 8.722 -22.780) 30.591 24.618 ( 11.812 5.907 10.986) 17.179 25.196 ( -19.819 0.414 -16.676) 25.904 25.427 ( -1.205 -0.265 1.710) 2.109 25.467 ( -5.292 -1.057 -3.206) 6.277 25.736 ( 0.385 5.556 -5.190) 7.613 25.901 ( -2.263 -8.592 7.491) 11.621 26.082 ( 3.465 -3.922 -0.559) 5.263 26.566 ( 2.215 3.740 6.520) 7.836 26.690 ( 4.056 -3.037 2.549) 5.672 26.838 ( -2.319 -0.883 0.150) 2.486 26.947 ( -5.930 -5.270 -7.429) 10.869 27.221 ( 4.902 -4.862 -2.005) 7.190 27.245 ( 0.833 0.749 -2.605) 2.836 27.408 ( -1.751 2.717 1.510) 3.568 27.581 ( 6.657 1.166 4.933) 8.368 27.921 ( -2.027 0.328 -2.862) 3.522 28.074 ( 1.202 -4.957 1.220) 5.244 28.263 ( -0.991 4.914 -0.512) 5.039 28.307 ( -0.306 1.546 0.401) 1.627 28.443 ( -12.750 2.033 -13.248) 18.498 28.689 ( -1.737 4.328 0.545) 4.695 28.812 ( -4.722 -7.075 -1.723) 8.679 28.926 ( -2.755 -3.240 -0.560) 4.290 29.021 ( 0.009 1.413 -1.739) 2.241 29.101 ( -1.630 3.049 -0.270) 3.468 29.350 ( 9.567 2.933 10.578) 14.561 29.557 ( -1.149 -0.226 -3.326) 3.526 29.596 ( 1.872 0.119 -1.162) 2.207 29.776 ( 1.698 -1.449 5.794) 6.209 29.932 ( 0.270 1.944 -1.590) 2.525 30.351 ( 6.211 -14.052 -7.502) 17.097 30.945 ( -4.077 2.392 -8.088) 9.368 31.249 ( -1.811 -3.986 -6.605) 7.925 31.539 ( 9.844 5.710 5.618) 12.692 31.711 ( 9.099 0.379 2.282) 9.388 31.834 ( -0.128 5.976 -2.113) 6.340 31.962 ( 3.089 -2.331 2.036) 4.373 32.243 ( -2.506 -0.549 -1.305) 2.878 32.332 ( -1.463 -1.629 0.762) 2.318 32.562 ( -0.784 1.209 2.408) 2.806 32.588 ( -0.459 2.283 -3.072) 3.855 32.708 ( -2.770 -2.162 0.554) 3.557 32.927 ( 2.030 0.486 3.038) 3.687 33.146 ( -0.346 -5.780 2.912) 6.481 33.256 ( 2.098 -6.254 -1.169) 6.700 33.721 ( -10.446 16.357 3.119) 19.657 34.583 ( 12.530 -5.286 13.905) 19.450 38.246 ( -2.364 -4.634 0.006) 5.202 38.386 ( 0.989 -6.738 -0.735) 6.849 38.598 ( -4.450 7.344 0.416) 8.597 38.887 ( 1.840 -2.849 -4.533) 5.661 39.392 ( -1.216 3.479 4.372) 5.718 39.477 ( -0.151 12.066 -0.914) 12.101 39.712 ( -3.765 2.163 0.490) 4.369 40.082 ( 2.439 6.467 3.199) 7.616 41.035 ( -3.359 -7.129 0.553) 7.900 41.243 ( 0.296 -5.347 -3.261) 6.270 41.430 ( 1.281 10.686 0.965) 10.805 41.963 ( 11.403 -0.026 -10.161) 15.273 42.354 ( 4.680 -0.022 -6.325) 7.868 42.405 ( 3.831 -0.123 1.789) 4.230 43.176 ( -19.731 -11.320 12.424) 25.919 43.433 ( -9.342 -8.826 -2.059) 13.016 ======================= Grid point 74 (32/84) ======================= q-point: ( 0.38 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -2.564 24.536 -6.782) 25.585 2.244 ( 0.961 0.820 -2.523) 2.822 2.306 ( 6.025 1.193 -11.537) 13.070 2.522 ( 0.870 8.145 11.595) 14.197 2.715 ( -8.237 2.410 -4.081) 9.503 2.778 ( -10.860 -3.750 8.669) 14.393 2.841 ( -8.392 -9.191 4.078) 13.098 3.118 ( -1.178 4.429 0.052) 4.583 3.188 ( 4.389 -0.693 -4.939) 6.643 3.307 ( -3.149 0.461 3.210) 4.521 3.366 ( 1.942 -12.505 -2.264) 12.855 3.419 ( -3.590 1.909 -1.785) 4.441 3.568 ( -1.849 4.721 -2.903) 5.843 3.611 ( -2.948 -3.758 3.351) 5.835 3.736 ( -6.907 4.975 1.325) 8.615 4.027 ( 0.825 -11.603 -2.642) 11.929 4.150 ( 4.038 -1.556 -6.024) 7.417 4.242 ( 6.367 3.078 -8.252) 10.867 4.251 ( 0.461 -4.943 -3.989) 6.369 4.328 ( 0.123 -4.540 3.714) 5.867 4.434 ( 0.703 8.764 -0.307) 8.797 4.562 ( 3.869 4.199 -0.182) 5.713 4.682 ( 1.312 10.230 -0.192) 10.316 4.802 ( -4.090 5.321 2.977) 7.342 5.135 ( -0.875 7.892 3.241) 8.577 5.244 ( 2.518 -8.814 0.075) 9.167 5.328 ( 1.711 2.000 -4.659) 5.351 5.343 ( 2.552 2.045 -3.324) 4.663 5.556 ( 1.987 4.912 5.109) 7.361 5.597 ( 6.125 -5.695 -4.216) 9.366 5.706 ( 4.282 -0.498 3.352) 5.460 5.919 ( 1.935 -3.576 -2.437) 4.741 6.028 ( 1.749 -4.828 5.723) 7.689 6.117 ( 1.405 -2.503 -10.830) 11.204 6.143 ( 0.946 -1.489 4.807) 5.121 6.246 ( -4.214 -1.452 1.846) 4.824 6.313 ( -1.251 -4.498 1.542) 4.917 6.381 ( 1.395 0.784 2.344) 2.838 6.411 ( -5.009 0.835 -0.229) 5.083 6.488 ( -6.457 -0.663 1.738) 6.720 6.654 ( -4.611 -3.761 -0.577) 5.978 6.808 ( -2.520 -1.146 2.871) 3.988 6.946 ( -4.318 0.074 2.701) 5.094 7.075 ( 3.598 1.857 1.389) 4.281 7.301 ( -5.443 7.206 0.168) 9.032 7.336 ( 0.352 0.325 -0.230) 0.531 7.396 ( -5.020 4.850 1.991) 7.259 7.578 ( 2.931 1.688 -2.365) 4.127 7.708 ( -2.399 3.914 -1.174) 4.738 7.853 ( 7.479 -10.283 1.945) 12.863 8.180 ( -3.654 -9.739 -2.055) 10.603 8.213 ( -2.664 -3.335 0.255) 4.276 8.436 ( 0.451 8.315 -1.822) 8.524 8.737 ( 4.201 -0.872 2.559) 4.995 8.934 ( 3.396 -2.614 0.362) 4.300 9.002 ( -1.440 -7.537 2.998) 8.239 9.086 ( -3.899 -3.653 -2.299) 5.817 9.307 ( 3.660 -5.842 2.143) 7.219 9.435 ( 6.470 4.574 0.024) 7.923 9.517 ( 5.186 7.776 1.417) 9.453 9.667 ( -5.534 -4.528 -2.278) 7.505 9.760 ( 0.353 3.077 -0.655) 3.165 9.834 ( -0.423 0.461 3.652) 3.705 9.958 ( -2.331 2.130 -4.792) 5.739 9.999 ( 4.056 2.348 1.803) 5.021 10.257 ( -9.050 5.367 1.372) 10.611 10.499 ( -1.349 -1.753 1.375) 2.605 10.792 ( 2.232 -3.211 -2.620) 4.707 10.932 ( -1.062 -5.341 1.107) 5.557 10.999 ( -0.569 0.673 -0.627) 1.082 11.110 ( -0.055 2.827 -3.033) 4.147 11.187 ( -0.712 5.940 -1.897) 6.276 11.234 ( 0.781 3.506 0.574) 3.637 11.535 ( -2.135 -4.893 -1.405) 5.520 11.668 ( -3.518 -0.026 3.246) 4.787 11.988 ( -0.067 4.571 0.838) 4.647 12.175 ( 3.695 -2.660 3.661) 5.842 12.222 ( -1.572 0.991 0.223) 1.871 12.477 ( 2.048 -2.335 -1.756) 3.568 12.507 ( 0.384 -2.356 0.669) 2.479 12.670 ( -1.288 7.092 1.014) 7.279 12.798 ( -0.208 -2.593 -0.585) 2.666 12.900 ( 2.281 -5.203 0.054) 5.682 13.020 ( -7.265 -6.015 -2.561) 9.773 13.136 ( 1.899 3.425 0.342) 3.931 13.227 ( -4.836 2.759 1.250) 5.706 13.681 ( 4.590 2.269 -2.303) 5.615 13.861 ( 0.538 -2.220 0.378) 2.315 13.974 ( 2.274 -1.833 -2.468) 3.823 14.373 ( 2.186 -7.204 0.819) 7.572 14.511 ( 2.863 2.080 1.374) 3.796 14.690 ( 1.602 4.907 1.355) 5.336 14.823 ( -1.038 1.418 -1.233) 2.147 14.982 ( -2.968 8.292 -3.376) 9.432 15.025 ( -1.881 0.016 5.710) 6.012 15.121 ( -0.296 -0.431 -2.648) 2.699 15.416 ( -1.558 15.013 6.394) 16.392 15.490 ( 2.278 -1.930 1.848) 3.511 15.630 ( 1.009 1.449 -0.998) 2.028 15.762 ( -1.763 -6.692 -2.547) 7.375 16.373 ( 1.457 -0.599 -1.079) 1.909 16.463 ( -1.541 -11.152 0.466) 11.268 16.709 ( 5.328 -1.088 3.234) 6.327 16.819 ( -2.812 -3.649 -5.742) 7.362 16.992 ( 4.688 2.107 0.638) 5.179 17.201 ( 0.617 4.661 0.615) 4.741 17.329 ( -1.236 4.053 -0.944) 4.342 17.568 ( 0.993 1.838 0.535) 2.157 17.737 ( 3.818 -2.723 0.396) 4.706 18.033 ( 3.490 1.197 2.582) 4.503 18.174 ( 9.226 3.577 10.388) 14.347 18.243 ( -5.413 -5.452 -7.930) 11.041 18.425 ( 1.812 -5.847 1.080) 6.216 18.463 ( -4.923 -0.908 -3.538) 6.130 18.652 ( 0.695 4.211 -3.066) 5.255 18.716 ( 11.302 -8.318 10.075) 17.275 18.942 ( -9.914 -2.423 -5.936) 11.807 19.032 ( -8.278 1.226 -8.817) 12.156 19.201 ( 2.555 -4.362 2.678) 5.721 19.278 ( -0.881 5.649 1.606) 5.938 19.350 ( -8.679 -1.304 -6.419) 10.873 19.583 ( 0.089 -0.004 -0.841) 0.846 19.851 ( -0.340 -3.801 -0.013) 3.816 19.924 ( 0.895 -1.029 0.435) 1.432 20.106 ( 2.449 0.275 0.716) 2.567 20.164 ( 0.400 8.515 -1.296) 8.623 20.391 ( -1.316 0.786 2.432) 2.875 20.445 ( -1.130 3.149 -1.972) 3.884 20.699 ( 0.292 0.048 0.920) 0.966 21.294 ( -3.268 -2.925 -3.435) 5.571 21.412 ( 1.687 4.918 2.953) 5.979 21.953 ( 0.122 -0.679 -0.726) 1.002 22.030 ( 1.581 1.402 -0.148) 2.118 22.092 ( -1.060 -2.760 0.856) 3.078 22.170 ( 0.228 -1.147 -1.681) 2.048 22.244 ( 0.804 2.565 1.595) 3.125 22.484 ( 2.595 -1.664 0.391) 3.108 22.784 ( 3.274 -6.813 -2.181) 7.867 22.992 ( 7.886 1.769 7.983) 11.360 23.466 ( -7.713 13.010 -9.055) 17.628 23.678 ( 13.837 -6.079 12.326) 19.503 24.516 ( -14.025 -4.368 -11.878) 18.891 24.913 ( 0.914 10.586 1.031) 10.676 25.417 ( -0.723 -0.659 -0.491) 1.095 25.424 ( -1.506 0.022 0.977) 1.795 25.678 ( -1.147 2.751 -0.465) 3.017 25.943 ( -1.377 -2.153 4.484) 5.161 26.147 ( 2.455 -4.508 1.906) 5.475 26.601 ( -1.870 -5.332 -4.270) 7.082 26.756 ( -2.088 -4.961 1.260) 5.528 26.794 ( -0.120 -0.160 4.642) 4.646 26.907 ( 1.167 1.782 2.607) 3.367 27.184 ( 0.618 1.134 -6.464) 6.592 27.255 ( 1.961 -1.578 1.940) 3.178 27.396 ( -0.993 3.030 0.914) 3.317 27.677 ( 1.785 1.309 0.129) 2.218 27.918 ( 1.565 1.687 -0.392) 2.334 28.106 ( 0.188 -4.300 0.656) 4.354 28.215 ( -0.379 -0.481 -1.517) 1.636 28.257 ( -0.719 7.399 -0.459) 7.448 28.335 ( -0.232 0.840 0.434) 0.974 28.650 ( -3.782 -14.863 -0.506) 15.345 28.691 ( -1.230 4.456 1.217) 4.780 28.930 ( -0.005 -4.353 0.586) 4.393 29.009 ( -0.276 1.930 -0.644) 2.053 29.126 ( 0.313 6.379 -0.141) 6.388 29.526 ( 0.827 -4.308 -0.910) 4.480 29.554 ( 4.519 5.846 2.288) 7.735 29.626 ( 2.161 1.196 2.202) 3.309 29.853 ( 1.730 -0.480 2.128) 2.784 29.890 ( -5.134 2.615 -4.310) 7.195 30.304 ( -1.997 -4.078 2.000) 4.961 30.816 ( 0.989 1.113 -1.698) 2.259 31.223 ( 3.563 -3.637 -2.263) 5.572 31.693 ( 4.468 3.685 -2.023) 6.135 31.776 ( -0.140 5.920 -2.601) 6.468 31.881 ( 8.051 -0.535 1.560) 8.218 32.011 ( 3.164 -7.447 -0.533) 8.109 32.146 ( -5.250 -1.320 -4.998) 7.368 32.283 ( -0.846 0.484 -0.556) 1.123 32.575 ( -1.115 0.005 0.634) 1.282 32.601 ( 1.857 2.163 0.535) 2.900 32.676 ( -3.234 -1.008 1.508) 3.708 32.999 ( 0.996 0.223 4.974) 5.077 33.153 ( -0.692 -5.148 -0.713) 5.243 33.284 ( 0.900 -5.957 1.630) 6.241 33.630 ( -4.327 17.188 -1.605) 17.796 34.817 ( 1.027 -10.520 4.481) 11.481 38.212 ( -0.936 -3.440 -0.832) 3.661 38.400 ( -0.049 -5.727 0.906) 5.798 38.562 ( -3.010 7.519 3.325) 8.755 38.868 ( 2.274 -3.636 -3.826) 5.747 39.381 ( -0.731 0.321 -2.534) 2.657 39.503 ( -1.674 10.522 4.922) 11.737 39.677 ( -0.882 3.868 0.045) 3.967 40.119 ( -0.926 6.525 0.425) 6.604 40.984 ( -1.336 -6.153 -1.512) 6.476 41.224 ( 2.290 -5.813 -2.621) 6.775 41.452 ( 0.582 9.841 -0.071) 9.859 42.010 ( 9.341 -0.936 -5.494) 10.877 42.343 ( 7.677 0.796 -9.789) 12.466 42.467 ( 1.859 -0.281 0.649) 1.989 43.045 ( -18.482 -6.852 11.190) 22.666 43.290 ( -5.525 -7.648 -1.595) 9.569 ======================= Grid point 75 (33/84) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 19.203 18.914 26.540) 37.827 2.158 ( -13.629 3.228 -5.630) 15.095 2.295 ( 11.146 1.798 -6.034) 12.801 2.420 ( 1.212 8.896 -7.454) 11.669 2.600 ( -13.617 -1.209 -1.263) 13.729 2.764 ( 2.240 -0.734 3.284) 4.042 2.903 ( -1.241 -6.613 11.147) 13.020 3.081 ( -3.615 5.962 -0.973) 7.040 3.215 ( 3.765 -3.384 -3.524) 6.168 3.311 ( 0.233 -0.776 0.820) 1.153 3.347 ( 0.974 -10.538 -6.259) 12.295 3.371 ( 1.848 4.194 0.805) 4.653 3.477 ( -1.692 -1.618 -2.197) 3.211 3.642 ( 0.905 -7.640 2.130) 7.983 3.706 ( -0.603 3.083 1.916) 3.679 4.021 ( 4.458 -5.174 -4.976) 8.450 4.143 ( -0.813 4.175 -1.074) 4.387 4.170 ( 1.491 1.815 -10.506) 10.765 4.200 ( 1.095 -6.584 -3.371) 7.477 4.407 ( -1.003 -0.933 3.060) 3.353 4.436 ( 0.296 -2.236 3.692) 4.327 4.589 ( 6.324 7.012 -5.165) 10.763 4.739 ( 1.158 7.799 2.156) 8.174 4.792 ( -2.210 3.928 5.670) 7.243 5.144 ( -0.426 -4.245 -3.718) 5.659 5.183 ( -1.707 8.502 1.051) 8.735 5.319 ( -0.714 3.608 -4.226) 5.602 5.366 ( 4.374 1.175 0.146) 4.532 5.524 ( -0.735 0.767 -3.954) 4.094 5.655 ( -1.363 -0.620 1.238) 1.943 5.766 ( -6.457 -0.649 -1.976) 6.784 5.847 ( -1.836 -7.043 -3.981) 8.296 6.039 ( 5.070 -3.423 -5.317) 8.105 6.116 ( 4.045 -11.288 7.977) 14.402 6.177 ( -0.048 -3.030 -0.259) 3.041 6.286 ( -0.580 -1.848 -0.059) 1.937 6.331 ( -0.220 -1.847 7.362) 7.593 6.357 ( -0.417 3.222 1.335) 3.513 6.482 ( -6.050 -3.507 11.284) 13.275 6.528 ( 10.305 -2.098 0.818) 10.549 6.668 ( 0.593 1.370 5.565) 5.762 6.794 ( -3.538 -1.816 0.432) 4.001 6.869 ( -2.353 0.462 -2.684) 3.599 7.044 ( -3.096 -3.120 -6.397) 7.761 7.149 ( -6.335 3.130 -5.251) 8.803 7.323 ( -3.952 3.213 -4.503) 6.798 7.410 ( 1.613 1.141 4.437) 4.857 7.597 ( 3.044 2.781 -2.268) 4.706 7.707 ( 0.444 5.688 1.449) 5.886 7.829 ( 0.100 -0.860 -2.074) 2.247 8.138 ( -3.278 -7.586 -1.402) 8.383 8.310 ( 6.331 1.838 7.375) 9.892 8.481 ( 4.389 1.299 2.777) 5.354 8.825 ( -0.331 0.221 2.272) 2.306 8.885 ( -1.672 -4.027 -9.653) 10.592 8.968 ( -3.432 -5.791 0.620) 6.761 9.005 ( -2.929 -3.111 3.267) 5.379 9.430 ( -1.541 -3.505 2.219) 4.425 9.533 ( 7.481 -0.264 2.710) 7.961 9.579 ( 0.317 1.396 5.140) 5.336 9.628 ( 3.572 0.666 0.409) 3.656 9.712 ( -7.979 -1.393 0.006) 8.099 9.868 ( 1.304 2.913 0.956) 3.331 9.959 ( 5.728 6.388 0.787) 8.616 10.064 ( -3.442 4.559 -0.597) 5.744 10.151 ( -0.342 8.686 0.885) 8.738 10.466 ( -2.834 -3.202 -0.778) 4.346 10.751 ( -0.118 -3.027 -5.659) 6.419 10.932 ( -0.956 -4.335 0.310) 4.450 11.005 ( -0.231 -1.616 1.907) 2.511 11.078 ( -0.180 4.146 -3.462) 5.405 11.114 ( 1.310 6.164 -6.158) 8.811 11.246 ( 0.304 4.136 0.274) 4.156 11.427 ( -3.324 -1.788 -5.994) 7.083 11.755 ( 2.527 -2.483 7.216) 8.038 11.982 ( -1.303 2.752 -0.611) 3.106 12.222 ( -1.627 -0.930 4.808) 5.160 12.291 ( 1.761 -1.807 5.566) 6.111 12.472 ( 1.664 -0.761 -1.752) 2.533 12.525 ( 0.102 -2.630 1.268) 2.921 12.678 ( -0.482 5.264 1.702) 5.553 12.802 ( 0.662 1.787 -0.619) 2.004 12.897 ( -3.054 -5.757 -2.083) 6.842 12.950 ( 4.248 -5.120 -1.271) 6.773 13.171 ( 0.251 0.835 1.074) 1.383 13.193 ( -0.690 6.102 1.100) 6.239 13.726 ( 3.159 1.882 0.041) 3.677 13.836 ( -2.019 -2.220 -1.954) 3.581 13.977 ( 2.233 -3.732 -1.783) 4.701 14.262 ( -6.740 -2.922 -8.811) 11.472 14.550 ( -0.616 -0.457 0.777) 1.092 14.634 ( -1.944 2.536 -1.713) 3.626 14.908 ( -0.831 4.915 -1.152) 5.116 14.958 ( 3.940 -1.774 6.750) 8.014 15.083 ( 1.159 -1.930 -2.658) 3.484 15.202 ( 5.455 3.555 15.216) 16.551 15.460 ( -1.722 -0.591 1.442) 2.323 15.521 ( -3.366 11.305 5.631) 13.071 15.694 ( 4.398 1.391 4.470) 6.423 15.764 ( 4.226 -5.122 0.353) 6.649 16.322 ( -1.576 -0.183 -6.026) 6.231 16.407 ( -4.332 -7.400 -4.599) 9.730 16.666 ( -1.921 -1.070 -3.143) 3.836 16.847 ( 1.466 -3.576 -1.015) 3.996 16.971 ( -2.329 5.749 -3.234) 6.995 17.171 ( 0.520 0.407 -0.629) 0.912 17.327 ( 0.378 4.916 -0.946) 5.021 17.594 ( 0.144 -0.867 1.489) 1.729 17.713 ( -3.672 -4.317 -4.311) 7.121 17.870 ( -11.705 3.424 -13.665) 18.316 18.098 ( 2.914 1.928 0.294) 3.507 18.224 ( -7.876 -7.880 -9.740) 14.799 18.378 ( -0.792 -6.772 -0.095) 6.819 18.532 ( -3.017 -6.564 -0.635) 7.252 18.728 ( 1.045 6.745 1.337) 6.956 18.794 ( 13.905 3.718 14.805) 20.649 18.949 ( 1.411 -0.018 1.805) 2.291 19.133 ( -1.630 0.464 -1.481) 2.251 19.177 ( 2.563 0.942 1.138) 2.959 19.330 ( 8.699 3.279 9.714) 13.446 19.430 ( 11.047 -9.094 10.943) 18.013 19.589 ( 2.513 -0.625 0.437) 2.626 19.838 ( 0.134 -2.162 -0.649) 2.261 19.953 ( -0.479 -0.988 1.373) 1.758 20.049 ( -7.023 -0.181 -7.048) 9.951 20.172 ( 3.148 7.203 0.293) 7.866 20.235 ( -2.637 6.476 -5.432) 8.854 20.578 ( 3.143 -2.125 6.425) 7.462 20.725 ( 1.309 0.613 2.150) 2.590 21.296 ( -6.944 3.410 -8.609) 11.575 21.362 ( 5.389 -0.939 4.896) 7.342 21.966 ( 1.413 -0.522 0.713) 1.667 22.022 ( -1.744 1.806 -2.519) 3.556 22.064 ( -1.987 -3.889 -1.038) 4.489 22.150 ( 0.226 -0.099 -1.861) 1.877 22.287 ( 0.996 1.255 2.800) 3.226 22.479 ( -2.338 -0.613 -2.359) 3.377 22.592 ( -12.566 -3.374 -17.662) 21.938 22.880 ( -1.647 -0.155 -3.904) 4.240 23.313 ( -24.309 -2.580 -26.129) 35.781 23.819 ( 19.752 9.376 22.817) 31.601 24.753 ( 0.881 0.162 3.334) 3.452 24.887 ( 13.613 2.372 11.244) 17.815 25.406 ( -0.672 -0.403 -0.160) 0.800 25.419 ( 0.350 -0.162 0.279) 0.476 25.705 ( 2.134 -2.110 -0.303) 3.017 25.975 ( -3.782 1.187 7.383) 8.380 26.178 ( -1.189 -4.712 1.992) 5.252 26.493 ( -2.085 0.016 -5.673) 6.044 26.710 ( -1.978 -2.119 -4.216) 5.117 26.904 ( -0.785 -3.840 9.033) 9.846 26.949 ( 3.590 -0.951 4.234) 5.632 27.192 ( 3.464 0.941 0.395) 3.611 27.331 ( 2.489 -1.939 2.486) 4.017 27.380 ( -1.460 1.815 -0.676) 2.425 27.642 ( -3.172 0.973 -4.666) 5.725 27.929 ( 1.397 2.889 1.391) 3.497 28.091 ( -1.304 -3.957 -0.380) 4.184 28.245 ( 0.583 6.208 0.224) 6.240 28.291 ( 2.738 -1.877 3.021) 4.489 28.352 ( 4.269 1.495 4.357) 6.281 28.678 ( -1.213 5.872 0.421) 6.011 28.732 ( 4.359 -12.585 6.454) 14.800 28.940 ( -1.996 -4.953 0.827) 5.404 29.009 ( 1.117 0.854 0.254) 1.429 29.074 ( -0.800 4.486 -2.585) 5.239 29.499 ( -10.187 7.110 -7.341) 14.429 29.543 ( 1.936 -2.163 0.537) 2.952 29.663 ( -1.241 0.667 1.951) 2.406 29.727 ( -1.827 2.355 -5.823) 6.542 29.920 ( 3.574 0.787 2.933) 4.690 30.371 ( 4.889 -5.838 5.159) 9.198 31.001 ( 9.003 -2.051 13.118) 16.042 31.248 ( 3.095 -3.050 -0.857) 4.429 31.607 ( -4.242 6.957 -11.305) 13.936 31.742 ( 2.985 3.613 -1.163) 4.829 31.914 ( -5.856 -1.563 -3.822) 7.165 32.014 ( -0.192 -3.096 -1.339) 3.379 32.122 ( 6.409 -5.393 -0.948) 8.430 32.271 ( -0.696 -0.455 -2.252) 2.400 32.548 ( -1.547 -0.159 -0.089) 1.558 32.612 ( 0.597 3.593 -1.166) 3.824 32.685 ( -0.178 -1.925 4.116) 4.547 33.068 ( -0.883 -0.739 2.913) 3.133 33.113 ( -1.709 -3.600 0.093) 3.986 33.323 ( -1.020 -0.648 5.246) 5.383 33.542 ( -2.595 13.244 -4.290) 14.161 34.693 ( -11.258 -10.279 -11.050) 18.828 38.210 ( 0.577 -1.022 1.032) 1.563 38.407 ( 0.251 -1.023 0.714) 1.273 38.590 ( -1.034 3.749 4.953) 6.298 38.851 ( 2.821 -1.455 -4.726) 5.693 39.337 ( -1.098 -2.034 -1.829) 2.947 39.509 ( -2.138 6.757 0.651) 7.117 39.703 ( 0.926 5.217 3.623) 6.419 40.067 ( -2.667 5.386 -3.838) 7.131 40.983 ( 1.382 -6.673 0.772) 6.858 41.236 ( 2.456 -6.215 -1.749) 6.908 41.450 ( -0.157 10.673 -0.040) 10.674 42.096 ( 10.033 -2.321 -3.849) 10.994 42.325 ( 8.636 1.500 -12.223) 15.041 42.460 ( -1.756 0.166 -1.770) 2.499 42.929 ( -16.564 -4.692 11.092) 20.479 43.266 ( 2.987 -6.895 0.479) 7.530 ======================= Grid point 76 (34/84) ======================= q-point: (-0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -22.473 11.601 -10.436) 27.359 1.836 ( -6.918 17.886 10.057) 21.654 2.335 ( 4.285 6.659 3.548) 8.677 2.387 ( -1.737 7.515 -9.639) 12.346 2.575 ( 13.706 -0.077 1.550) 13.793 2.848 ( -0.507 6.411 -8.530) 10.683 2.920 ( 3.739 -1.130 -0.447) 3.931 3.063 ( -0.757 -2.815 10.020) 10.436 3.222 ( -2.351 -1.830 -4.360) 5.281 3.287 ( 5.136 -0.528 -0.410) 5.179 3.305 ( -2.863 -0.276 0.712) 2.963 3.435 ( -0.209 -8.700 1.583) 8.846 3.530 ( 8.575 -4.726 -0.467) 9.802 3.620 ( -4.695 1.016 -2.638) 5.481 3.757 ( 4.596 -3.602 1.772) 6.102 3.897 ( -3.863 2.128 -5.583) 7.115 4.126 ( 5.028 8.463 -9.604) 13.752 4.159 ( 8.764 -0.738 -0.193) 8.797 4.260 ( 2.770 -7.286 6.534) 10.171 4.391 ( -2.428 -2.858 -0.783) 3.831 4.504 ( 1.715 -3.904 3.853) 5.747 4.603 ( 0.713 -0.978 -0.625) 1.362 4.798 ( 1.586 5.007 5.154) 7.359 4.846 ( 0.930 -6.151 -0.857) 6.280 5.020 ( -8.361 9.441 -5.452) 13.739 5.221 ( 4.389 -1.247 0.513) 4.591 5.298 ( 0.640 7.889 5.822) 9.826 5.418 ( 3.373 -2.774 -1.436) 4.597 5.457 ( -3.627 5.468 -3.110) 7.261 5.537 ( -7.691 1.011 -5.606) 9.571 5.728 ( -0.577 -3.847 2.136) 4.438 5.816 ( 6.367 1.506 -5.882) 8.798 6.056 ( 0.651 -5.892 -0.771) 5.978 6.113 ( -6.498 -1.208 1.501) 6.778 6.211 ( -3.149 -4.210 2.211) 5.703 6.246 ( 2.618 -5.043 -0.008) 5.682 6.375 ( 0.473 1.243 3.857) 4.080 6.518 ( 3.998 -1.722 11.404) 12.207 6.566 ( -2.852 -8.941 6.136) 11.213 6.613 ( 2.552 -7.047 -1.646) 7.674 6.735 ( 2.860 -1.376 -1.643) 3.574 6.785 ( 2.935 -3.779 -1.737) 5.090 6.875 ( 1.111 -3.651 0.436) 3.842 6.918 ( 0.461 -2.631 -3.118) 4.105 7.027 ( 0.444 -1.237 -3.744) 3.968 7.210 ( 0.749 0.587 -3.469) 3.597 7.487 ( 1.673 0.802 4.046) 4.451 7.535 ( -5.133 9.702 -4.157) 11.737 7.748 ( 1.837 3.439 -0.501) 3.931 7.866 ( 3.969 11.047 -0.744) 11.762 8.174 ( 4.537 -1.835 6.304) 7.981 8.410 ( 0.074 1.981 0.488) 2.042 8.530 ( -3.023 -2.370 0.202) 3.847 8.660 ( -3.517 -3.686 -9.611) 10.877 8.896 ( -1.323 -4.072 3.549) 5.561 8.956 ( 0.315 -5.796 2.193) 6.205 9.055 ( -0.123 0.026 8.314) 8.315 9.347 ( -3.377 -0.241 -3.989) 5.232 9.536 ( -8.822 -0.647 -2.841) 9.291 9.644 ( -4.471 1.512 5.106) 6.953 9.677 ( 2.190 -3.739 1.546) 4.601 9.744 ( 5.627 2.009 4.432) 7.439 9.891 ( 0.698 1.519 1.378) 2.166 9.931 ( -2.367 3.983 -0.255) 4.640 10.101 ( -0.256 9.782 -3.249) 10.311 10.188 ( 9.609 1.452 1.055) 9.776 10.453 ( -1.585 -3.843 2.601) 4.903 10.661 ( -1.963 2.422 -5.180) 6.046 10.899 ( -2.092 -1.581 -1.979) 3.285 10.940 ( -5.681 5.233 -3.877) 8.642 11.051 ( 0.092 -0.084 2.501) 2.504 11.152 ( 7.284 -0.564 -0.333) 7.313 11.284 ( -1.671 -1.480 -4.303) 4.848 11.328 ( 6.692 5.054 -2.153) 8.658 11.854 ( -0.056 -3.205 3.823) 4.989 11.967 ( 1.707 1.940 -0.252) 2.597 12.236 ( -4.736 -3.118 3.938) 6.904 12.358 ( -2.151 -5.003 4.962) 7.368 12.485 ( 0.346 5.053 -0.921) 5.147 12.537 ( 0.899 0.546 0.543) 1.184 12.710 ( 0.892 2.759 2.108) 3.586 12.779 ( 0.366 0.912 -0.956) 1.371 12.880 ( 0.847 -4.463 -0.077) 4.543 12.991 ( 5.230 -0.790 -4.020) 6.643 13.143 ( -3.138 5.212 0.367) 6.095 13.262 ( 5.995 3.154 1.305) 6.899 13.725 ( -5.805 -1.694 -2.585) 6.576 13.775 ( -0.912 -0.775 0.912) 1.505 14.026 ( 1.160 -5.306 -0.983) 5.520 14.053 ( -2.561 -1.016 -5.313) 5.985 14.562 ( -0.174 -1.064 2.346) 2.582 14.587 ( -2.425 1.333 -0.784) 2.876 14.896 ( -0.511 4.785 0.339) 4.824 15.029 ( 2.293 -0.991 -1.857) 3.113 15.121 ( 2.290 -4.628 5.623) 7.635 15.375 ( -4.232 -10.345 -5.264) 12.355 15.443 ( -3.013 1.470 10.377) 10.905 15.618 ( 3.962 13.927 12.081) 18.857 15.769 ( -2.001 4.763 0.038) 5.167 15.860 ( 6.363 -4.254 0.562) 7.674 16.214 ( -5.598 -2.358 -8.074) 10.104 16.279 ( 4.037 -2.138 -2.274) 5.103 16.665 ( -0.405 0.565 0.354) 0.780 16.678 ( -6.544 0.301 -4.898) 8.179 17.052 ( 5.509 4.306 6.803) 9.756 17.169 ( -3.759 -1.945 -4.598) 6.250 17.361 ( 7.422 3.554 4.447) 9.354 17.451 ( -10.671 3.263 -11.893) 16.308 17.608 ( -1.708 -3.586 0.532) 4.008 17.687 ( -1.294 -2.554 -2.630) 3.888 18.086 ( -1.965 -2.649 -3.276) 4.649 18.113 ( 1.511 -0.272 -1.866) 2.417 18.385 ( -3.848 -8.860 1.118) 9.724 18.488 ( 2.074 -4.890 1.767) 5.598 18.827 ( 5.206 4.624 5.436) 8.833 18.874 ( -5.430 -0.137 -5.309) 7.595 19.006 ( 5.747 3.892 5.238) 8.695 19.067 ( -2.975 4.214 -4.349) 6.747 19.371 ( 5.794 -1.219 6.344) 8.677 19.499 ( -3.326 1.287 -5.059) 6.190 19.603 ( 9.214 0.440 10.179) 13.737 19.724 ( -6.433 4.497 -5.025) 9.319 19.834 ( 2.071 0.302 1.590) 2.628 19.867 ( 2.741 -2.678 3.495) 5.186 19.941 ( -0.609 -1.335 -1.586) 2.161 20.107 ( -2.443 3.036 -8.305) 9.174 20.424 ( 13.143 -3.308 14.364) 19.748 20.587 ( -6.523 -6.894 -5.464) 10.951 20.852 ( 8.286 8.641 6.659) 13.699 20.893 ( -15.046 7.983 -15.331) 22.916 21.698 ( 16.442 -1.920 15.245) 22.504 21.828 ( -12.556 -0.218 -12.531) 17.740 22.028 ( 3.277 -1.486 1.858) 4.049 22.038 ( -1.249 -1.567 -1.837) 2.719 22.133 ( -2.130 -1.844 -2.433) 3.723 22.193 ( -4.620 -1.939 -7.789) 9.261 22.362 ( 0.806 1.255 2.704) 3.088 22.391 ( -2.484 1.951 -2.165) 3.829 22.830 ( -8.880 -3.193 -7.760) 12.217 22.879 ( 2.274 -2.947 0.084) 3.723 24.345 ( 14.133 7.889 17.041) 23.503 24.462 ( -14.922 8.972 -11.503) 20.868 25.338 ( 8.514 -3.556 7.419) 11.839 25.388 ( -0.708 -0.290 -1.274) 1.486 25.485 ( 7.738 -3.622 4.898) 9.848 25.598 ( -5.876 -8.391 -12.772) 16.373 26.029 ( -5.840 2.551 9.419) 11.373 26.214 ( 1.535 -3.486 6.101) 7.193 26.450 ( 2.090 4.740 -0.606) 5.216 26.614 ( 0.362 -0.883 -5.477) 5.560 26.949 ( -6.224 -2.362 3.700) 7.616 27.089 ( 2.704 -6.100 5.264) 8.499 27.232 ( 1.838 -0.218 0.668) 1.968 27.320 ( 0.279 -3.550 -1.236) 3.769 27.416 ( 0.514 0.704 2.086) 2.261 27.499 ( -3.678 2.516 -5.057) 6.740 27.965 ( -0.563 2.115 1.641) 2.735 28.081 ( 1.282 2.385 -1.029) 2.897 28.262 ( 0.779 1.139 1.787) 2.258 28.300 ( -0.345 -1.802 0.175) 1.843 28.673 ( 10.136 -3.237 10.328) 14.829 28.692 ( 2.960 5.685 3.684) 7.393 28.759 ( 2.593 2.511 0.673) 3.671 28.868 ( -5.781 -4.977 -9.147) 11.910 29.042 ( 1.746 -0.009 -0.843) 1.939 29.075 ( 1.713 -1.015 -1.124) 2.286 29.298 ( -5.092 4.182 5.622) 8.662 29.607 ( 4.010 -1.083 2.134) 4.670 29.639 ( -2.996 1.570 -2.269) 4.073 29.695 ( 1.809 2.108 0.736) 2.873 30.029 ( 3.109 -0.923 7.256) 7.948 30.495 ( 7.274 -16.288 -5.259) 18.598 31.138 ( -0.296 -0.511 1.172) 1.313 31.341 ( 0.431 2.266 -9.762) 10.031 31.485 ( 4.761 0.765 11.356) 12.337 31.701 ( -12.022 -1.022 -9.067) 15.093 31.822 ( 4.131 2.744 3.693) 6.183 31.937 ( -4.814 0.369 -4.231) 6.419 32.157 ( -3.931 -3.692 -7.207) 9.001 32.199 ( 3.998 -1.622 -2.082) 4.791 32.520 ( -2.085 0.584 0.316) 2.188 32.658 ( 6.090 2.917 -0.492) 6.770 32.753 ( -0.203 -4.717 6.930) 8.385 32.981 ( -2.735 -0.612 -7.263) 7.785 33.176 ( -1.568 0.140 8.992) 9.128 33.381 ( 2.100 11.291 -1.282) 11.556 33.498 ( -6.094 0.623 14.224) 15.488 34.307 ( -12.919 -5.535 -18.389) 23.145 38.243 ( 0.021 1.882 2.827) 3.396 38.440 ( 3.317 2.120 0.962) 4.053 38.632 ( -0.433 1.074 2.747) 2.981 38.837 ( 4.328 3.715 -5.497) 7.922 39.308 ( -2.844 -4.128 1.319) 5.184 39.491 ( 1.748 4.979 -1.405) 5.460 39.774 ( -0.067 2.999 6.074) 6.775 39.973 ( -1.544 4.992 -5.218) 7.384 41.012 ( -0.382 -7.914 1.683) 8.100 41.233 ( 1.091 -5.320 -2.915) 6.164 41.464 ( -0.350 10.465 2.777) 10.833 42.141 ( 14.693 -3.495 -22.856) 27.395 42.310 ( 2.976 1.633 -0.582) 3.444 42.392 ( -3.092 0.643 -2.724) 4.171 42.849 ( -14.670 -4.129 12.486) 19.701 43.360 ( 7.930 -6.898 0.636) 10.530 ======================= Grid point 77 (35/84) ======================= q-point: (-0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -28.716 17.778 -5.673) 34.247 1.522 ( -32.182 20.612 -5.582) 38.622 2.213 ( -30.682 27.745 -17.199) 44.799 2.347 ( 8.061 9.198 -6.442) 13.823 2.591 ( 11.011 0.364 6.192) 12.637 2.887 ( 8.444 -0.485 3.729) 9.243 3.104 ( -0.270 -3.427 0.729) 3.514 3.148 ( 4.219 -0.134 0.001) 4.221 3.211 ( 9.694 -1.027 -4.813) 10.872 3.241 ( -5.445 -0.789 5.986) 8.131 3.361 ( 4.608 5.205 2.460) 7.374 3.477 ( 1.410 -6.640 3.055) 7.444 3.543 ( -1.867 2.763 1.479) 3.648 3.619 ( 7.912 0.010 0.489) 7.927 3.833 ( 6.988 -3.235 -3.069) 8.289 3.949 ( 5.822 -1.233 3.467) 6.888 4.084 ( 5.299 6.849 -8.954) 12.456 4.251 ( 2.937 -0.275 -2.972) 4.187 4.343 ( -1.389 -6.081 1.027) 6.322 4.429 ( 6.481 -7.236 7.893) 12.516 4.589 ( -1.448 -7.798 6.143) 10.032 4.596 ( 4.608 -0.980 -4.006) 6.184 4.673 ( -4.277 -2.012 -13.620) 14.417 4.883 ( -1.332 2.081 6.820) 7.254 4.969 ( 1.561 -3.341 0.921) 3.801 5.257 ( 1.278 3.844 0.097) 4.052 5.326 ( -4.535 5.994 -4.669) 8.848 5.349 ( -5.814 3.297 -6.798) 9.534 5.418 ( -3.193 1.961 8.711) 9.483 5.463 ( 3.881 -2.618 -1.511) 4.919 5.711 ( -0.172 3.116 -1.990) 3.701 5.844 ( 0.585 5.125 -2.027) 5.542 5.979 ( -6.592 0.995 -2.701) 7.193 6.074 ( -2.757 -3.765 -0.320) 4.678 6.205 ( 0.124 -3.691 -2.859) 4.671 6.291 ( -2.341 -3.736 6.779) 8.087 6.400 ( -1.603 -4.811 -12.497) 13.486 6.533 ( 2.265 -3.699 3.815) 5.777 6.563 ( -2.316 -11.021 4.555) 12.148 6.652 ( 2.188 -3.538 -1.940) 4.590 6.775 ( 2.915 -0.649 3.947) 4.950 6.858 ( 4.415 -3.237 2.912) 6.201 6.927 ( 8.547 -2.472 5.361) 10.388 7.013 ( 9.602 -2.617 3.758) 10.638 7.166 ( 9.421 -4.308 6.728) 12.352 7.250 ( 3.251 4.162 -0.903) 5.358 7.393 ( -3.724 5.563 -3.204) 7.422 7.574 ( 3.544 -3.750 2.909) 5.923 7.712 ( -3.274 0.563 -3.225) 4.630 7.864 ( 1.110 9.407 -4.783) 10.611 8.296 ( 0.012 -4.684 2.716) 5.414 8.369 ( -6.611 -5.267 -3.031) 8.980 8.435 ( -4.808 6.912 1.675) 8.585 8.576 ( 6.131 -1.210 -3.993) 7.416 8.907 ( -1.958 -4.380 2.393) 5.362 9.055 ( 6.288 -8.388 4.301) 11.332 9.137 ( -3.123 -1.582 6.905) 7.742 9.261 ( -1.507 2.715 -4.525) 5.488 9.393 ( -6.979 4.718 -1.159) 8.504 9.587 ( -3.416 5.239 -1.593) 6.454 9.712 ( -2.302 -4.259 2.334) 5.374 9.766 ( -4.330 0.245 -0.515) 4.367 9.874 ( -3.664 0.420 -1.724) 4.072 9.960 ( 2.027 2.900 -0.443) 3.566 10.050 ( -0.399 6.712 2.010) 7.018 10.376 ( 11.383 0.567 0.765) 11.423 10.448 ( -0.839 -5.684 2.365) 6.214 10.604 ( -2.668 3.360 0.582) 4.330 10.796 ( -3.919 0.940 -4.839) 6.297 10.864 ( -0.890 4.687 -1.192) 4.917 11.124 ( 2.764 -2.988 3.671) 5.481 11.195 ( 0.371 -0.593 -3.272) 3.346 11.276 ( 7.824 0.025 1.028) 7.891 11.452 ( 6.951 1.324 1.824) 7.307 11.864 ( -0.387 -2.337 0.894) 2.531 12.011 ( 2.360 5.339 0.296) 5.845 12.198 ( -4.410 -3.819 1.593) 6.048 12.339 ( -5.347 -7.072 0.700) 8.893 12.439 ( -3.851 6.597 -0.384) 7.649 12.571 ( 1.892 5.107 0.116) 5.447 12.713 ( -0.454 -1.628 -0.568) 1.783 12.840 ( 4.316 4.029 2.071) 6.257 12.890 ( 0.331 -3.860 0.513) 3.908 13.005 ( 5.490 3.537 -5.119) 8.298 13.112 ( -1.074 4.376 0.145) 4.509 13.369 ( 6.468 0.811 0.264) 6.524 13.575 ( -9.070 -0.489 -2.091) 9.321 13.756 ( -5.501 -1.150 1.012) 5.710 13.878 ( -2.690 -1.359 -5.526) 6.294 14.174 ( 6.386 -6.013 5.537) 10.373 14.543 ( -2.689 1.353 -0.645) 3.079 14.593 ( 0.185 1.315 2.045) 2.439 14.911 ( 0.369 2.581 2.252) 3.446 15.028 ( 3.804 1.780 -4.408) 6.088 15.188 ( -5.239 -8.529 -4.865) 11.129 15.273 ( 0.984 -4.322 5.656) 7.186 15.434 ( -7.702 0.321 3.575) 8.497 15.653 ( -3.982 3.948 -6.768) 8.789 15.730 ( -4.136 2.776 -1.181) 5.119 15.943 ( 5.368 0.259 0.597) 5.407 16.134 ( 2.852 1.748 1.648) 3.729 16.415 ( 8.211 -7.799 4.283) 12.108 16.532 ( -3.543 0.976 -0.053) 3.675 16.784 ( 4.081 1.668 6.236) 7.637 16.940 ( -8.611 1.389 -9.181) 12.663 17.131 ( -4.545 4.246 -3.111) 6.954 17.327 ( 6.788 8.978 3.369) 11.748 17.553 ( -0.897 -2.634 1.246) 3.049 17.619 ( 1.214 0.582 2.275) 2.643 17.769 ( 12.179 -4.719 10.707) 16.889 18.008 ( 0.107 -2.722 1.354) 3.042 18.164 ( 3.956 -0.583 0.593) 4.042 18.323 ( -2.624 -6.402 1.151) 7.014 18.584 ( 1.773 -1.228 3.398) 4.025 18.725 ( -5.061 1.671 -5.929) 7.973 18.964 ( -2.796 6.110 -4.772) 8.241 19.000 ( 1.620 0.300 0.238) 1.664 19.113 ( -8.045 2.060 -5.609) 10.021 19.189 ( 1.633 2.962 -0.578) 3.431 19.441 ( -1.449 -3.613 -3.436) 5.192 19.543 ( 0.613 0.095 -2.084) 2.174 19.725 ( -18.277 -3.477 -21.578) 28.491 19.817 ( -1.384 -0.793 2.193) 2.712 19.914 ( 1.989 0.604 0.259) 2.094 19.924 ( 0.007 3.301 3.934) 5.135 20.102 ( 7.527 2.040 6.164) 9.940 20.269 ( -6.903 6.933 -8.421) 12.909 20.675 ( -3.681 0.164 -2.530) 4.469 20.711 ( 5.208 -9.075 6.530) 12.334 21.179 ( 13.369 9.551 12.017) 20.356 21.445 ( -10.107 0.021 -12.347) 15.956 21.947 ( -1.397 -0.820 -0.624) 1.737 22.000 ( 2.317 0.954 2.230) 3.355 22.041 ( -1.307 -3.387 -0.788) 3.715 22.134 ( 3.585 -1.508 2.167) 4.452 22.307 ( 1.107 -0.609 1.751) 2.160 22.375 ( 5.557 0.732 6.765) 8.785 22.449 ( 3.694 -4.953 3.539) 7.121 22.723 ( -0.090 0.989 2.984) 3.145 23.094 ( 16.835 -5.213 15.457) 23.442 23.990 ( -20.891 9.454 -16.556) 28.282 24.727 ( 9.345 7.912 10.521) 16.144 25.117 ( -16.388 -4.740 -21.500) 27.446 25.416 ( 0.160 -1.073 -0.928) 1.428 25.444 ( 2.101 0.147 1.022) 2.341 25.655 ( 3.005 -2.876 2.039) 4.632 26.016 ( -8.206 -5.721 6.681) 12.029 26.314 ( 2.021 -6.144 0.110) 6.469 26.500 ( 5.851 -0.358 1.534) 6.059 26.702 ( 10.479 6.434 6.662) 13.985 26.819 ( -9.713 0.133 -2.626) 10.063 27.107 ( -2.972 -0.537 -0.493) 3.060 27.189 ( -6.364 -4.510 -3.699) 8.633 27.339 ( -0.343 -2.191 0.140) 2.222 27.404 ( 5.453 -2.005 1.332) 5.960 27.559 ( 4.570 4.332 3.756) 7.332 27.937 ( -3.053 0.618 -1.922) 3.660 28.114 ( 2.746 8.050 0.484) 8.519 28.300 ( 0.663 0.396 0.523) 0.932 28.310 ( 0.849 -3.028 1.624) 3.539 28.481 ( -9.928 0.894 -17.165) 19.849 28.735 ( 1.884 -0.353 0.360) 1.950 28.778 ( 3.199 -0.042 1.270) 3.442 28.993 ( -1.431 -7.508 -1.652) 7.820 29.036 ( -0.194 2.379 -1.161) 2.654 29.157 ( 8.938 -5.747 3.295) 11.125 29.389 ( 1.699 0.122 7.068) 7.270 29.580 ( -1.674 4.127 0.161) 4.457 29.699 ( 3.298 -0.326 2.271) 4.018 29.742 ( 2.655 2.085 1.395) 3.653 30.179 ( 6.112 -6.857 0.795) 9.220 30.415 ( 5.536 -8.273 -11.794) 15.433 31.047 ( -5.323 4.955 -15.137) 16.793 31.294 ( 3.695 0.584 5.552) 6.695 31.336 ( -15.937 -0.992 -15.330) 22.135 31.669 ( -3.460 -5.247 5.658) 8.457 31.783 ( -4.413 2.213 -2.009) 5.330 31.954 ( 1.445 -0.550 3.702) 4.012 32.029 ( -0.282 1.543 -3.127) 3.498 32.207 ( -0.353 0.617 -0.645) 0.960 32.535 ( 2.001 -1.070 2.458) 3.345 32.720 ( 3.964 2.053 -1.991) 4.888 32.804 ( -3.339 -6.651 0.872) 7.493 32.892 ( -0.058 -0.965 1.384) 1.689 33.238 ( -0.669 1.172 -0.244) 1.371 33.376 ( 4.964 9.930 -0.213) 11.104 33.725 ( -11.504 -7.801 22.533) 26.475 34.021 ( -1.955 1.040 9.402) 9.659 38.262 ( -1.237 4.415 1.023) 4.698 38.542 ( 7.854 3.046 2.506) 8.789 38.640 ( -0.577 -1.570 -0.163) 1.681 38.864 ( 10.733 15.822 -4.847) 19.724 39.274 ( -3.321 -2.557 0.507) 4.222 39.553 ( 5.275 1.916 3.078) 6.400 39.799 ( -3.006 1.251 -0.999) 3.406 39.960 ( 2.001 4.649 6.350) 8.120 41.003 ( -2.774 -7.137 1.090) 7.734 41.192 ( -0.375 -6.896 -6.398) 9.414 41.494 ( -1.573 8.481 3.692) 9.382 41.896 ( 7.105 2.385 -41.254) 41.929 42.315 ( -2.222 0.566 -2.593) 3.461 42.386 ( 1.320 -1.511 4.728) 5.136 42.833 ( -13.043 -6.136 18.313) 23.305 43.483 ( 8.274 -7.203 -0.307) 10.975 ======================= Grid point 78 (36/84) ======================= q-point: (-0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -13.538 32.012 -2.604) 34.855 0.982 ( -20.655 33.258 2.150) 39.209 1.793 ( -27.426 48.761 26.298) 61.817 2.417 ( 6.633 7.895 -1.546) 10.427 2.824 ( 6.675 1.719 5.684) 8.934 2.891 ( -1.804 -1.191 -5.716) 6.111 3.075 ( -2.768 -0.218 1.731) 3.272 3.110 ( -0.097 -0.736 -2.054) 2.184 3.214 ( -2.018 -2.560 1.902) 3.774 3.389 ( 5.766 -2.212 -0.695) 6.215 3.428 ( 3.813 3.008 -0.799) 4.922 3.549 ( 3.965 -2.241 0.193) 4.559 3.554 ( 2.700 1.534 0.208) 3.112 3.762 ( 5.553 -0.133 1.078) 5.659 3.931 ( 9.629 -0.798 -1.738) 9.817 3.990 ( -2.724 2.372 -1.381) 3.867 4.044 ( 3.827 -0.606 -6.916) 7.928 4.200 ( -0.630 -3.376 0.314) 3.449 4.307 ( 0.967 -0.791 -4.761) 4.922 4.463 ( -3.271 -1.522 -2.461) 4.367 4.579 ( 0.814 -6.011 0.411) 6.080 4.668 ( 8.607 -1.690 -2.865) 9.228 4.709 ( 2.677 -13.858 2.535) 14.340 4.883 ( -7.128 2.943 3.287) 8.383 5.021 ( 5.674 -1.026 1.183) 5.886 5.186 ( -3.643 3.350 -3.725) 6.194 5.228 ( -0.533 3.713 -1.950) 4.228 5.335 ( 1.751 6.709 4.397) 8.211 5.395 ( -7.392 3.128 0.251) 8.031 5.475 ( -3.031 5.228 5.235) 7.995 5.690 ( -11.890 -1.298 -3.778) 12.543 5.780 ( 11.018 1.826 -3.631) 11.744 5.912 ( 0.583 7.141 1.345) 7.290 6.027 ( -0.316 4.327 -1.255) 4.516 6.112 ( -7.393 -3.983 -2.104) 8.657 6.237 ( -0.524 2.498 -4.755) 5.397 6.315 ( -1.172 -6.092 -1.521) 6.388 6.557 ( -0.522 -9.478 2.505) 9.817 6.648 ( 3.028 -1.376 -3.408) 4.762 6.720 ( 4.135 -6.567 3.634) 8.569 6.878 ( 3.716 0.482 -0.950) 3.866 6.924 ( 0.718 -3.008 3.629) 4.768 6.981 ( -0.669 1.843 -4.824) 5.208 7.202 ( 4.632 -4.077 -1.870) 6.447 7.279 ( 3.719 -1.324 12.140) 12.766 7.403 ( 6.106 -7.757 5.768) 11.433 7.432 ( 3.460 -3.570 -0.061) 4.972 7.564 ( -0.895 -2.534 0.056) 2.688 7.670 ( -1.625 -2.261 0.093) 2.786 7.874 ( 6.616 -0.833 -2.891) 7.268 8.161 ( -9.827 -3.702 -3.510) 11.072 8.282 ( 0.812 1.535 -4.272) 4.611 8.488 ( 1.959 -0.715 6.839) 7.150 8.675 ( 6.477 -3.911 0.580) 7.589 8.901 ( -0.997 1.403 -0.175) 1.730 9.138 ( -1.814 -4.194 -3.213) 5.586 9.147 ( -3.508 -1.006 1.835) 4.085 9.218 ( 4.775 -0.714 -1.201) 4.975 9.309 ( -3.772 4.580 0.924) 6.005 9.494 ( -6.562 -0.904 -8.311) 10.627 9.607 ( 0.039 2.982 -1.438) 3.311 9.725 ( -2.550 -8.129 -0.707) 8.549 9.819 ( -1.693 -0.992 1.973) 2.783 9.985 ( -4.170 14.439 0.401) 15.035 10.072 ( 3.425 2.602 0.636) 4.348 10.476 ( 4.709 -5.387 1.623) 7.337 10.547 ( -7.127 -2.304 3.945) 8.465 10.568 ( 3.303 -1.766 5.752) 6.864 10.744 ( 2.016 -0.379 -2.130) 2.957 10.867 ( 1.705 7.107 1.203) 7.407 11.162 ( 3.465 -6.671 -2.175) 7.825 11.213 ( -2.062 -3.436 2.103) 4.526 11.366 ( 4.069 0.215 -0.746) 4.142 11.567 ( 4.615 -2.198 3.564) 6.232 11.897 ( 2.605 0.354 1.642) 3.100 12.013 ( -1.359 8.865 -1.153) 9.042 12.163 ( -3.490 -3.428 -0.460) 4.913 12.266 ( -1.547 -6.077 -0.195) 6.274 12.388 ( -3.256 3.995 0.171) 5.157 12.570 ( 0.107 5.707 -2.794) 6.355 12.701 ( -0.546 -3.774 0.375) 3.832 12.891 ( 0.860 2.547 -1.393) 3.028 12.921 ( 3.691 3.133 1.155) 4.977 13.029 ( 1.152 4.531 -0.902) 4.762 13.144 ( 6.044 -0.725 0.990) 6.168 13.393 ( -6.291 -2.648 0.491) 6.843 13.483 ( 2.693 0.587 -1.218) 3.013 13.671 ( -5.525 4.609 2.121) 7.501 13.817 ( -2.466 0.956 -0.231) 2.655 14.330 ( 4.829 -7.536 4.105) 9.847 14.458 ( -5.322 2.132 -2.655) 6.318 14.635 ( 0.909 5.050 1.684) 5.401 14.925 ( -0.523 -0.267 -2.011) 2.095 15.044 ( -0.599 -0.761 -4.153) 4.265 15.053 ( 4.302 1.779 0.276) 4.664 15.310 ( -8.227 -1.391 -0.156) 8.345 15.373 ( -0.894 -2.714 0.708) 2.944 15.567 ( 1.722 1.524 -3.041) 3.813 15.638 ( -2.296 0.466 -0.375) 2.373 15.974 ( 2.494 1.558 -4.890) 5.706 16.217 ( 0.730 2.039 3.641) 4.237 16.519 ( 2.106 -10.730 0.730) 10.959 16.594 ( 0.948 -1.126 4.928) 5.144 16.710 ( -3.478 -2.158 -3.213) 5.203 16.884 ( -1.715 7.065 -0.431) 7.283 17.077 ( -0.238 6.732 3.547) 7.614 17.482 ( 7.055 6.540 -3.901) 10.381 17.581 ( 1.247 0.399 2.613) 2.923 17.603 ( 1.301 2.199 -1.642) 3.037 17.992 ( 2.108 -3.186 4.306) 5.757 18.122 ( 2.801 -3.019 0.982) 4.233 18.232 ( -8.232 -2.413 -4.605) 9.736 18.343 ( 2.602 -2.327 2.356) 4.211 18.567 ( -3.385 6.429 -3.379) 8.013 18.587 ( -1.262 -0.056 -3.335) 3.566 18.724 ( 8.885 7.676 7.709) 14.045 18.964 ( -13.452 -12.454 -15.280) 23.865 19.055 ( -0.422 2.587 -1.171) 2.871 19.266 ( 5.302 -0.520 4.904) 7.241 19.301 ( -2.224 -1.695 -3.354) 4.367 19.391 ( 1.211 1.518 -0.807) 2.103 19.563 ( 1.163 0.053 0.286) 1.199 19.823 ( 0.535 -2.249 2.071) 3.104 19.935 ( -1.424 -0.506 1.953) 2.470 19.955 ( -1.964 2.410 2.953) 4.288 20.093 ( -1.122 4.328 -1.349) 4.670 20.369 ( 4.496 6.832 5.353) 9.775 20.577 ( -2.765 -3.811 -4.241) 6.337 20.794 ( 0.906 -6.907 -0.829) 7.016 21.280 ( 1.460 -0.735 -1.010) 1.922 21.431 ( 2.631 6.742 4.244) 8.390 21.919 ( -0.728 -0.939 -0.043) 1.189 22.005 ( -1.077 -0.831 -0.585) 1.481 22.028 ( -1.967 -1.285 0.998) 2.553 22.183 ( 0.974 -2.289 0.101) 2.490 22.292 ( -0.409 1.194 -1.071) 1.655 22.400 ( -2.253 -0.647 -0.013) 2.344 22.565 ( -0.031 -7.290 3.082) 7.914 22.940 ( 9.706 3.407 9.202) 13.802 23.499 ( -12.716 11.836 -11.172) 20.655 23.579 ( 8.015 -10.738 9.700) 16.542 24.625 ( -5.764 -1.651 -9.211) 10.990 24.920 ( 2.077 10.791 0.729) 11.014 25.417 ( 0.714 -0.091 0.246) 0.761 25.488 ( 1.671 -0.639 0.501) 1.858 25.667 ( -0.821 1.785 0.094) 1.967 25.964 ( -10.402 -13.472 4.600) 17.631 26.301 ( 2.359 -6.497 -4.159) 8.067 26.627 ( 3.500 -3.380 -1.559) 5.109 26.702 ( 0.091 -0.757 3.802) 3.877 26.910 ( -0.579 1.049 -0.427) 1.272 27.005 ( -2.263 3.226 -1.909) 4.378 27.191 ( 7.151 -4.173 5.657) 10.028 27.351 ( 5.943 6.554 -10.768) 13.936 27.478 ( 6.734 3.896 1.484) 7.921 27.601 ( -2.862 4.334 -3.136) 6.067 27.859 ( -1.025 -1.605 -0.411) 1.949 28.048 ( -5.379 -0.314 -4.360) 6.931 28.260 ( 1.198 12.598 -3.963) 13.261 28.306 ( 0.445 -0.659 -1.330) 1.550 28.334 ( -0.197 -1.410 0.457) 1.496 28.703 ( -8.419 -17.320 -1.211) 19.296 28.798 ( 2.264 2.694 -0.027) 3.519 28.904 ( -4.636 -3.755 0.552) 5.992 29.061 ( 0.983 4.729 1.703) 5.122 29.136 ( -0.819 -3.584 -4.992) 6.200 29.453 ( 0.118 0.519 1.443) 1.538 29.552 ( -1.670 5.225 -1.327) 5.644 29.737 ( 1.650 0.571 -2.790) 3.292 29.779 ( -0.681 -1.311 1.496) 2.102 30.157 ( 11.765 15.290 -23.867) 30.689 30.560 ( 10.188 0.102 3.756) 10.859 30.797 ( -8.880 1.809 -7.634) 11.849 30.932 ( -8.707 0.533 -1.761) 8.899 31.421 ( 0.810 -4.599 4.621) 6.570 31.661 ( -2.811 -2.681 3.179) 5.020 31.683 ( -4.648 4.475 -2.015) 6.759 31.936 ( -1.056 -0.205 0.038) 1.076 32.106 ( 4.181 1.937 4.027) 6.120 32.183 ( -3.261 3.942 0.019) 5.116 32.594 ( 1.248 -1.510 0.560) 2.038 32.722 ( 3.107 0.212 -3.345) 4.570 32.775 ( -3.688 -8.080 4.089) 9.778 32.939 ( -1.651 -3.133 5.251) 6.333 33.160 ( 0.253 0.072 -9.517) 9.520 33.497 ( 1.873 7.285 -1.134) 7.607 33.600 ( -3.847 -2.794 3.517) 5.914 34.460 ( -10.076 -28.191 36.306) 47.057 38.240 ( -0.463 4.656 -1.399) 4.883 38.596 ( 1.300 -3.541 -5.943) 7.039 38.666 ( 0.788 -4.741 2.574) 5.451 39.096 ( 23.239 18.238 -9.770) 31.114 39.277 ( 7.187 8.503 2.088) 11.328 39.693 ( 4.182 2.494 2.416) 5.435 39.720 ( -0.442 3.710 -1.239) 3.936 40.134 ( 0.007 0.670 3.396) 3.461 40.958 ( -6.305 -4.799 -8.923) 11.933 40.995 ( -0.063 -3.668 1.969) 4.163 41.481 ( -2.283 8.559 -9.103) 12.702 41.531 ( 1.365 14.025 -3.582) 14.540 42.270 ( -0.262 0.329 -1.560) 1.615 42.432 ( -0.176 -2.620 0.882) 2.770 42.979 ( -8.363 -18.538 31.010) 37.084 43.580 ( 5.790 -8.001 -0.739) 9.904 ======================= Grid point 79 (37/84) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 6.082 32.488 10.334) 34.630 1.717 ( 6.413 28.544 16.180) 33.431 2.564 ( 3.128 5.532 4.558) 7.821 2.654 ( -1.660 9.862 12.027) 15.642 2.784 ( -3.170 2.604 -7.250) 8.330 2.988 ( 0.691 1.582 2.597) 3.118 3.013 ( 1.394 -9.182 -2.080) 9.517 3.138 ( -3.842 7.198 3.398) 8.838 3.222 ( -0.444 7.476 2.444) 7.878 3.364 ( 1.796 -1.387 1.310) 2.620 3.485 ( -2.214 0.902 -0.132) 2.394 3.562 ( -1.176 1.731 2.513) 3.270 3.665 ( 2.059 8.024 2.786) 8.740 3.787 ( -0.644 0.757 -2.412) 2.609 3.812 ( -2.343 -7.727 -8.079) 11.423 3.948 ( 1.207 -6.043 2.533) 6.662 4.137 ( 3.205 2.599 3.760) 5.583 4.176 ( 3.588 -3.077 -4.108) 6.262 4.343 ( 4.654 3.393 -2.793) 6.401 4.371 ( -4.899 0.175 -1.053) 5.014 4.482 ( 1.060 -2.127 2.566) 3.498 4.545 ( -2.061 2.606 -1.777) 3.768 4.680 ( 2.163 -3.827 0.024) 4.396 4.925 ( 2.003 -2.377 6.005) 6.761 5.008 ( -6.087 1.782 -0.369) 6.354 5.191 ( -1.066 2.037 -3.597) 4.269 5.255 ( 5.763 2.057 2.128) 6.479 5.379 ( -1.746 1.188 2.929) 3.611 5.499 ( -0.978 4.147 3.040) 5.234 5.542 ( -3.919 8.326 -8.819) 12.746 5.672 ( -1.183 2.078 -2.253) 3.285 5.862 ( 2.139 1.097 -1.873) 3.048 6.014 ( 1.874 1.209 0.502) 2.286 6.047 ( -3.131 -6.903 -8.408) 11.321 6.075 ( 0.127 3.995 0.272) 4.007 6.205 ( 6.612 -3.462 1.665) 7.647 6.264 ( -3.143 8.166 1.638) 8.902 6.411 ( -1.665 -13.198 7.364) 15.205 6.483 ( 1.927 -6.253 -5.538) 8.572 6.706 ( 0.326 -0.180 0.242) 0.444 6.808 ( -6.082 -2.530 -7.305) 9.837 6.858 ( -2.534 -5.676 -1.901) 6.501 6.968 ( -3.690 1.150 -2.841) 4.796 7.099 ( 1.117 -8.421 0.520) 8.511 7.221 ( -0.318 -1.396 3.226) 3.529 7.423 ( -3.609 -0.912 -1.993) 4.223 7.491 ( -0.370 -3.813 0.593) 3.877 7.550 ( 2.075 -5.861 1.859) 6.489 7.619 ( 5.086 2.880 -0.004) 5.845 7.770 ( 4.471 -2.892 -3.037) 6.130 8.082 ( 5.091 0.113 4.429) 6.749 8.159 ( 1.031 -10.034 -0.054) 10.087 8.521 ( -6.113 -2.186 -1.634) 6.694 8.685 ( 5.514 0.101 5.405) 7.722 8.905 ( -6.393 -6.453 -2.467) 9.412 8.965 ( -6.297 2.541 -4.096) 7.930 9.063 ( 0.513 -0.707 -2.314) 2.474 9.254 ( 5.374 -0.279 2.434) 5.906 9.369 ( 4.770 7.730 -6.716) 11.296 9.490 ( -0.663 6.593 -2.160) 6.969 9.520 ( 1.610 -7.089 1.789) 7.486 9.758 ( 2.595 3.197 -2.856) 5.011 9.844 ( 2.050 -1.271 6.232) 6.682 10.047 ( -0.406 -0.450 -2.529) 2.601 10.096 ( -5.440 4.233 -0.953) 6.959 10.367 ( -5.435 -6.082 3.195) 8.760 10.464 ( -1.783 -3.984 -1.195) 4.526 10.625 ( 2.583 -2.818 5.231) 6.479 10.714 ( 1.937 -2.044 -0.402) 2.845 10.954 ( -1.986 -10.568 -1.333) 10.835 11.036 ( 1.435 3.286 3.177) 4.791 11.182 ( -1.112 -1.671 3.889) 4.377 11.388 ( 0.250 1.256 -2.145) 2.498 11.526 ( -1.036 -3.231 -2.881) 4.452 11.961 ( 1.066 2.863 1.246) 3.299 12.077 ( 0.830 -2.074 -1.627) 2.764 12.118 ( -1.894 4.516 -1.016) 5.001 12.311 ( -1.981 6.628 3.876) 7.929 12.404 ( -0.271 4.888 -4.591) 6.712 12.615 ( 3.002 3.621 -4.204) 6.308 12.689 ( 0.834 0.031 1.878) 2.055 12.833 ( 0.831 -5.464 -0.160) 5.529 13.019 ( -3.435 1.394 1.178) 3.889 13.115 ( 3.745 4.107 -2.540) 6.111 13.236 ( 2.256 -3.536 1.326) 4.399 13.259 ( -0.404 -4.258 2.060) 4.747 13.523 ( 1.973 3.120 0.073) 3.692 13.698 ( -4.728 2.621 -2.357) 5.897 13.932 ( 1.927 4.704 4.106) 6.534 14.147 ( -4.261 -6.132 -1.810) 7.684 14.533 ( 1.261 4.364 0.438) 4.564 14.651 ( -4.467 1.609 -3.825) 6.097 14.984 ( 2.965 2.832 1.171) 4.264 15.010 ( -0.155 -3.305 2.506) 4.151 15.149 ( 2.772 -1.562 -1.886) 3.698 15.255 ( -6.125 2.654 -5.752) 8.812 15.364 ( 2.013 9.524 6.418) 11.660 15.603 ( 5.703 -2.480 2.396) 6.664 15.716 ( 1.577 5.213 0.673) 5.487 15.910 ( -0.131 -1.143 -6.023) 6.132 16.185 ( -3.393 -3.814 -2.665) 5.759 16.285 ( -1.479 -13.466 -1.568) 13.638 16.527 ( -0.014 2.195 1.221) 2.512 16.775 ( 3.623 -3.888 5.577) 7.704 16.963 ( -1.553 10.791 -2.933) 11.290 17.252 ( -0.759 4.678 2.225) 5.235 17.448 ( 0.097 -2.724 2.794) 3.903 17.575 ( -9.350 7.617 -10.535) 16.013 17.623 ( 3.077 -3.081 4.527) 6.282 17.863 ( -17.558 -4.520 -17.961) 25.521 18.057 ( -2.077 1.964 -4.856) 5.635 18.095 ( 2.270 0.600 2.616) 3.516 18.261 ( -2.870 -4.378 -1.781) 5.529 18.451 ( -0.689 -6.338 -6.375) 9.016 18.723 ( 3.501 5.110 2.446) 6.659 18.814 ( 17.926 1.738 15.976) 24.075 19.043 ( -1.810 -1.536 -2.145) 3.200 19.126 ( 3.105 0.747 4.818) 5.780 19.234 ( 2.896 1.623 3.800) 5.046 19.400 ( 2.966 -5.032 6.627) 8.834 19.501 ( 8.847 -2.931 10.319) 13.905 19.604 ( 5.741 1.342 3.822) 7.026 19.879 ( 0.949 1.158 2.227) 2.684 19.910 ( -2.718 -0.240 1.317) 3.029 19.962 ( -2.147 2.309 -4.056) 5.137 20.179 ( 0.778 4.751 0.078) 4.815 20.351 ( -5.753 -2.824 -7.783) 10.082 20.605 ( -2.016 -5.749 -4.197) 7.398 20.740 ( 5.113 12.343 9.315) 16.287 21.329 ( 5.485 -4.594 6.775) 9.853 21.556 ( -3.322 9.448 -3.908) 10.750 21.910 ( 0.554 -1.389 1.369) 2.028 21.963 ( 1.720 -4.032 2.847) 5.227 22.036 ( -2.100 2.268 -1.719) 3.536 22.109 ( -1.313 -3.561 -0.486) 3.826 22.308 ( -2.326 0.460 -2.485) 3.435 22.365 ( 1.550 -3.886 1.913) 4.600 22.426 ( -3.484 -0.525 -2.458) 4.296 22.835 ( -14.219 3.221 -13.404) 19.805 23.112 ( -18.537 -10.274 -17.524) 27.500 23.935 ( 18.106 14.280 16.884) 28.580 24.756 ( 11.958 -5.814 10.832) 17.150 25.115 ( -1.875 8.070 0.081) 8.286 25.438 ( 0.476 -0.574 0.639) 0.982 25.470 ( -0.414 -0.861 -0.574) 1.114 25.718 ( -2.764 2.059 0.408) 3.471 25.800 ( 1.163 0.371 2.820) 3.073 26.051 ( 0.774 -15.560 -6.339) 16.820 26.564 ( 0.706 0.599 -1.398) 1.676 26.755 ( 1.497 -0.447 5.255) 5.483 26.924 ( 3.538 -0.935 2.772) 4.590 26.976 ( -7.186 4.254 -7.383) 11.147 27.061 ( -1.255 -6.545 0.049) 6.664 27.209 ( -2.821 -3.831 -6.458) 8.021 27.499 ( -4.938 2.380 -3.598) 6.557 27.669 ( -4.597 0.042 -6.349) 7.838 27.870 ( 5.097 1.070 3.248) 6.137 28.141 ( 7.763 -6.774 1.826) 10.463 28.274 ( 2.883 3.034 1.759) 4.540 28.329 ( 1.265 0.624 0.336) 1.450 28.428 ( 3.780 1.337 5.511) 6.815 28.680 ( 8.207 -4.652 8.094) 12.430 28.847 ( -2.589 1.407 -0.172) 2.952 28.901 ( 2.615 5.905 1.663) 6.669 29.045 ( 1.460 -2.111 -2.287) 3.438 29.175 ( 0.567 -0.924 0.855) 1.381 29.471 ( -5.191 2.578 -3.099) 6.572 29.561 ( -1.576 1.239 -8.967) 9.188 29.744 ( -2.750 0.872 1.566) 3.283 29.765 ( -0.866 1.441 -0.991) 1.951 29.956 ( -2.647 0.684 -21.913) 22.083 30.210 ( -10.747 -5.284 -18.722) 22.225 31.038 ( 15.236 2.549 9.634) 18.206 31.151 ( 10.827 0.342 8.022) 13.480 31.383 ( -4.485 -2.122 4.045) 6.401 31.463 ( -6.486 -4.462 4.158) 8.903 31.854 ( 1.981 5.222 4.519) 7.185 31.977 ( 0.496 1.805 1.287) 2.271 32.184 ( -3.028 1.541 1.761) 3.827 32.242 ( 2.967 -0.040 3.261) 4.409 32.555 ( -1.870 -0.164 -1.054) 2.153 32.633 ( -3.886 -4.347 4.202) 7.187 32.744 ( 4.829 -1.360 0.916) 5.100 32.922 ( -0.349 -3.283 3.339) 4.696 33.063 ( 0.578 4.913 -14.604) 15.419 33.319 ( -2.514 -2.981 -9.324) 10.107 33.927 ( 2.216 7.300 14.290) 16.199 34.227 ( -11.697 -3.279 9.966) 15.713 38.286 ( -0.456 3.885 -3.749) 5.418 38.423 ( -0.314 -3.810 -6.595) 7.623 38.628 ( 0.428 -1.940 0.799) 2.141 38.994 ( 0.273 -8.404 -9.464) 12.660 39.650 ( 5.832 9.225 -3.674) 11.516 39.748 ( -4.164 7.514 -2.886) 9.062 39.900 ( 3.003 2.463 4.334) 5.820 39.998 ( -12.955 6.636 3.528) 14.977 40.899 ( 0.912 -3.141 3.606) 4.869 41.087 ( 6.318 -8.218 6.013) 11.984 41.569 ( 0.826 8.352 -1.287) 8.491 41.787 ( 10.877 3.389 -2.643) 11.696 42.278 ( 1.909 0.702 -0.299) 2.056 42.374 ( 0.257 -2.153 -1.289) 2.523 42.900 ( -8.792 -7.068 17.750) 21.031 43.390 ( 0.101 -14.302 -1.625) 14.394 ======================= Grid point 80 (38/84) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 6.685 21.904 12.374) 26.030 2.040 ( 6.522 16.006 17.419) 24.539 2.555 ( -4.662 9.091 -8.585) 13.344 2.675 ( 3.145 9.478 -7.995) 12.793 2.710 ( -5.430 -3.894 3.102) 7.366 3.002 ( 1.588 -10.069 0.469) 10.204 3.015 ( -0.399 -3.768 7.752) 8.629 3.160 ( -4.085 2.836 2.875) 5.744 3.245 ( -3.674 5.566 0.661) 6.702 3.349 ( -11.626 2.979 -4.509) 12.821 3.378 ( -5.505 -0.923 4.486) 7.161 3.556 ( -6.704 -2.482 2.534) 7.585 3.653 ( -4.110 -0.802 -4.562) 6.193 3.704 ( -4.454 1.712 -2.424) 5.352 3.750 ( 0.275 9.985 5.942) 11.622 4.003 ( 0.370 0.025 6.769) 6.779 4.129 ( -1.023 -6.196 -6.555) 9.078 4.223 ( 2.051 -2.308 0.415) 3.115 4.249 ( -3.200 0.447 -3.756) 4.954 4.359 ( -1.872 0.331 -5.933) 6.230 4.479 ( 2.151 11.950 7.321) 14.179 4.636 ( -1.677 -4.137 -1.189) 4.619 4.730 ( 12.934 2.940 1.520) 13.351 4.897 ( -5.551 1.787 0.820) 5.889 5.035 ( -0.154 0.874 6.729) 6.787 5.123 ( -0.577 4.653 -4.002) 6.164 5.368 ( 3.304 1.410 -3.872) 5.282 5.399 ( 5.652 9.350 0.204) 10.927 5.453 ( 2.131 1.035 3.760) 4.444 5.541 ( 0.481 4.056 2.511) 4.794 5.590 ( -0.854 1.330 -5.535) 5.756 5.755 ( -0.752 -3.389 -9.237) 9.868 6.006 ( 3.308 -0.424 0.770) 3.422 6.061 ( -2.157 -2.600 -0.775) 3.466 6.084 ( 0.005 -0.075 2.847) 2.848 6.235 ( -3.037 -1.003 -1.515) 3.539 6.351 ( 3.985 -5.246 -0.150) 6.590 6.424 ( 3.587 -9.553 1.736) 10.351 6.539 ( -0.379 -11.932 4.130) 12.632 6.609 ( -4.373 -0.085 -4.788) 6.484 6.709 ( -2.068 0.773 1.485) 2.661 6.772 ( -5.697 -5.805 -5.868) 10.030 6.842 ( -2.619 -1.107 0.520) 2.890 7.058 ( -5.582 -1.213 -1.069) 5.811 7.213 ( -7.013 -4.088 -1.975) 8.355 7.252 ( -2.024 -5.980 1.111) 6.410 7.472 ( -0.357 -1.078 1.326) 1.746 7.673 ( 4.791 -7.015 -0.771) 8.530 7.758 ( 5.429 11.080 2.928) 12.681 7.825 ( 7.519 3.740 -2.323) 8.713 8.122 ( -2.860 -7.248 -1.119) 7.872 8.289 ( 9.463 -1.390 0.130) 9.566 8.528 ( 2.945 -6.500 6.257) 9.491 8.628 ( -10.265 4.138 -6.647) 12.910 8.770 ( -0.645 -5.382 1.701) 5.681 8.915 ( -3.269 -0.571 1.556) 3.665 9.025 ( -1.769 3.519 -4.060) 5.657 9.351 ( 4.696 1.763 0.013) 5.016 9.384 ( 8.242 0.931 -6.065) 10.276 9.432 ( -2.889 2.232 -2.991) 4.720 9.570 ( 2.188 -2.921 2.872) 4.644 9.773 ( 3.762 -1.551 -3.674) 5.483 9.874 ( -4.025 -2.262 -1.523) 4.861 9.998 ( 0.919 4.304 -2.183) 4.913 10.175 ( 5.545 4.049 11.919) 13.755 10.344 ( -5.769 -4.907 -3.296) 8.260 10.397 ( -1.451 -3.313 2.565) 4.434 10.699 ( 6.612 -5.413 -4.971) 9.886 10.762 ( 1.547 0.586 5.248) 5.502 10.914 ( -0.900 -8.187 -0.390) 8.246 11.079 ( -1.058 2.341 5.605) 6.166 11.254 ( -0.469 -2.017 4.556) 5.005 11.353 ( -0.711 0.467 -2.659) 2.791 11.454 ( -0.440 -0.731 -3.791) 3.886 11.918 ( -7.079 6.003 -1.135) 9.351 12.052 ( 1.164 0.339 -2.414) 2.701 12.124 ( -0.932 1.082 2.683) 3.039 12.266 ( -6.498 1.643 1.894) 6.965 12.414 ( 6.331 5.194 -3.178) 8.784 12.592 ( 0.888 3.895 -4.188) 5.788 12.737 ( 1.311 -0.974 2.427) 2.926 12.815 ( -1.048 -1.666 -2.237) 2.980 12.956 ( -5.981 3.911 0.714) 7.182 13.142 ( 2.362 2.529 -1.704) 3.857 13.176 ( -6.397 -4.598 0.627) 7.903 13.364 ( 2.917 -4.389 0.468) 5.290 13.564 ( 3.071 2.575 1.880) 4.427 13.639 ( 3.003 -0.183 -1.622) 3.418 14.012 ( -0.916 -0.892 2.708) 2.994 14.078 ( 0.177 -1.106 0.922) 1.450 14.538 ( -2.148 1.394 -2.056) 3.284 14.572 ( 1.386 1.620 0.137) 2.136 14.993 ( -2.420 1.520 1.362) 3.166 15.060 ( -0.574 -1.624 -0.780) 1.891 15.109 ( 0.052 -0.173 -3.380) 3.385 15.177 ( 2.234 -1.807 -1.308) 3.157 15.471 ( -0.889 8.682 6.530) 10.900 15.680 ( 2.685 0.109 -0.209) 2.695 15.732 ( 1.617 5.015 -2.924) 6.026 15.821 ( -0.539 0.233 -7.254) 7.277 16.163 ( 1.214 -5.547 3.531) 6.687 16.241 ( -1.154 -10.134 -1.047) 10.253 16.635 ( 4.809 3.007 5.842) 8.142 16.710 ( -3.851 4.897 -4.548) 7.714 17.061 ( 5.356 1.935 5.592) 7.982 17.199 ( -4.791 6.903 -7.932) 11.555 17.359 ( 0.107 -0.580 1.685) 1.786 17.468 ( -5.267 -4.860 -5.298) 8.912 17.623 ( 2.676 0.549 6.390) 6.949 17.705 ( -0.697 2.093 0.070) 2.207 18.043 ( 3.260 -2.465 3.664) 5.489 18.104 ( -2.737 -2.810 -3.065) 4.978 18.204 ( -1.608 -2.996 0.286) 3.412 18.365 ( 0.336 -5.841 -5.019) 7.709 18.819 ( 4.519 2.475 3.972) 6.506 18.915 ( -3.949 1.141 -6.089) 7.347 19.162 ( 4.282 5.975 5.590) 9.235 19.175 ( -3.289 3.024 -1.326) 4.661 19.327 ( 4.796 -0.166 6.057) 7.728 19.486 ( 0.841 0.114 -2.552) 2.689 19.608 ( 3.416 1.133 5.563) 6.625 19.809 ( -4.868 -1.051 -7.644) 9.123 19.866 ( -0.998 -1.295 4.250) 4.554 19.885 ( -0.648 0.217 0.574) 0.893 19.898 ( -1.883 -1.176 0.805) 2.361 20.203 ( 2.761 1.810 -0.473) 3.335 20.292 ( 3.088 -7.701 3.404) 8.968 20.477 ( -3.418 -3.609 -6.185) 7.935 21.021 ( 11.030 14.402 16.316) 24.399 21.260 ( -12.094 12.782 -11.863) 21.222 21.665 ( 11.862 -3.140 13.584) 18.305 21.821 ( -12.080 -3.587 -12.561) 17.792 22.010 ( 1.714 -1.531 3.255) 3.984 22.035 ( 1.714 -2.450 4.341) 5.271 22.080 ( -0.787 -1.671 -0.296) 1.871 22.173 ( -3.411 -4.023 -3.362) 6.255 22.375 ( -1.571 3.123 -2.257) 4.161 22.405 ( 1.283 1.212 0.202) 1.776 22.655 ( 2.909 -3.136 2.021) 4.731 22.759 ( -2.847 -6.845 -6.469) 9.839 24.413 ( 16.379 12.662 15.898) 26.103 24.654 ( -11.740 12.086 -16.096) 23.302 25.337 ( 6.079 -8.472 11.560) 15.568 25.422 ( -2.919 -0.752 -1.887) 3.556 25.492 ( 2.603 -6.752 6.677) 9.846 25.614 ( -9.688 -3.797 -4.488) 11.332 25.852 ( 2.865 1.974 -1.461) 3.774 25.975 ( 1.797 -9.966 -6.956) 12.286 26.611 ( 2.381 5.555 5.779) 8.362 26.719 ( -8.448 4.879 -7.076) 12.052 26.846 ( 0.006 1.618 3.725) 4.061 27.005 ( -3.614 -4.731 -2.917) 6.630 27.086 ( 5.859 -2.763 1.800) 6.723 27.135 ( 5.055 -5.474 -2.373) 7.820 27.444 ( -1.168 1.656 1.381) 2.453 27.548 ( -1.612 1.066 -3.457) 3.960 27.946 ( 2.211 1.145 1.401) 2.857 28.084 ( -2.490 -1.209 -8.108) 8.567 28.275 ( -0.668 -1.455 0.507) 1.679 28.360 ( -0.321 2.816 -0.515) 2.881 28.647 ( 4.479 -1.080 7.267) 8.605 28.799 ( -2.626 3.118 0.425) 4.098 28.849 ( -0.965 -0.261 -0.620) 1.176 28.998 ( 1.410 2.342 -1.193) 2.983 29.074 ( -7.246 -4.577 -1.367) 8.679 29.141 ( -4.317 -1.368 -1.310) 4.714 29.206 ( -0.653 0.369 -3.712) 3.787 29.472 ( 10.602 -4.900 -4.726) 12.600 29.672 ( -4.271 0.961 -3.156) 5.397 29.720 ( -2.545 -0.035 2.017) 3.248 29.879 ( 5.745 -5.722 -5.406) 9.745 30.008 ( 4.312 -1.095 -5.832) 7.335 31.169 ( -5.496 2.051 -4.565) 7.433 31.280 ( 5.191 -0.815 -2.577) 5.853 31.464 ( -0.754 -1.450 3.603) 3.956 31.498 ( 11.074 0.523 9.119) 14.355 31.943 ( 1.326 6.007 3.322) 6.992 31.997 ( -0.566 4.269 0.944) 4.409 32.188 ( -1.235 -0.193 4.824) 4.983 32.307 ( -0.183 -1.628 1.545) 2.252 32.529 ( -0.523 0.616 2.455) 2.584 32.627 ( -2.471 -3.102 2.101) 4.488 32.817 ( -0.463 -1.770 -0.591) 1.922 32.876 ( 2.852 3.693 -9.505) 10.589 32.990 ( 1.240 -3.236 3.345) 4.817 33.189 ( -0.084 -4.691 -8.560) 9.762 34.058 ( -9.857 7.800 10.354) 16.285 34.248 ( 4.226 1.193 9.750) 10.693 38.240 ( -0.756 1.736 -2.122) 2.844 38.342 ( -0.326 -2.542 -5.074) 5.685 38.644 ( -0.195 -2.622 1.401) 2.979 38.868 ( -0.473 -8.003 -9.667) 12.559 39.587 ( -7.600 10.693 -0.019) 13.119 39.715 ( 3.488 8.826 -2.033) 9.705 39.843 ( -10.505 8.004 5.814) 14.430 40.076 ( 5.084 4.106 5.498) 8.540 40.939 ( -1.768 -3.522 3.305) 5.143 41.147 ( -0.504 -8.704 -0.986) 8.775 41.595 ( 2.409 9.616 0.550) 9.928 41.909 ( 12.239 -0.555 -7.408) 14.317 42.322 ( 3.576 0.377 0.463) 3.625 42.366 ( 2.396 -0.725 -2.692) 3.676 42.970 ( -11.126 -10.685 15.694) 22.006 43.333 ( -4.476 -14.557 -2.356) 15.411 ======================= Grid point 81 (39/84) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( -14.796 20.104 -15.559) 29.414 2.261 ( 1.633 8.843 7.120) 11.470 2.444 ( 2.088 14.524 1.303) 14.731 2.547 ( -0.113 5.749 -7.341) 9.325 2.672 ( -3.314 -4.023 0.496) 5.235 2.961 ( -17.515 0.355 -0.631) 17.530 3.024 ( -13.554 1.360 0.699) 13.640 3.122 ( 2.095 -3.808 0.488) 4.374 3.167 ( -1.840 0.234 2.425) 3.054 3.239 ( 0.531 -4.314 4.883) 6.537 3.348 ( -2.339 3.555 -0.507) 4.286 3.460 ( -5.324 -6.746 2.397) 8.921 3.581 ( -6.424 0.642 4.100) 7.648 3.644 ( -2.974 1.628 1.532) 3.721 3.824 ( -1.580 1.213 3.938) 4.413 4.030 ( -3.175 -1.323 -1.926) 3.942 4.051 ( -1.512 -5.922 -0.293) 6.119 4.205 ( -1.770 -4.493 -4.631) 6.691 4.239 ( 5.472 3.830 -1.460) 6.837 4.264 ( -1.529 1.324 -4.012) 4.493 4.536 ( -1.930 -4.756 -4.988) 7.157 4.560 ( -0.104 5.911 1.263) 6.046 4.844 ( 0.988 3.217 6.866) 7.647 4.939 ( 2.210 -5.254 3.066) 6.472 5.043 ( 4.545 16.001 -4.078) 17.127 5.262 ( 2.188 3.216 6.244) 7.357 5.361 ( 2.440 4.368 -5.941) 7.767 5.427 ( 2.836 8.497 -1.199) 9.038 5.485 ( 3.751 -3.359 -4.443) 6.716 5.551 ( 2.336 -0.356 1.846) 2.998 5.630 ( 2.735 5.246 8.016) 9.963 5.778 ( 7.339 -1.686 2.434) 7.914 5.995 ( -5.257 -2.646 -0.138) 5.887 6.082 ( 0.836 -3.902 -2.573) 4.748 6.092 ( -0.874 -0.241 3.581) 3.694 6.138 ( 1.921 -4.818 -6.885) 8.620 6.349 ( -0.236 1.171 -3.076) 3.300 6.405 ( -1.995 2.409 -0.478) 3.164 6.506 ( -3.433 -9.376 2.737) 10.354 6.578 ( -5.265 -0.799 -1.575) 5.553 6.649 ( -4.671 -8.595 -3.141) 10.274 6.731 ( -1.284 -7.172 5.320) 9.021 6.888 ( 0.409 -1.108 4.189) 4.352 7.023 ( 2.562 3.302 2.737) 4.995 7.216 ( 2.710 -4.902 6.048) 8.243 7.297 ( 1.466 -3.058 6.775) 7.576 7.444 ( -3.624 0.369 -3.908) 5.343 7.626 ( -3.831 -11.369 -6.525) 13.656 7.755 ( 0.602 5.308 -3.873) 6.599 7.872 ( 0.613 8.003 -8.571) 11.743 8.029 ( -3.378 -4.403 -1.331) 5.707 8.304 ( 0.939 -0.522 -5.939) 6.036 8.549 ( 4.581 -2.259 4.314) 6.686 8.751 ( -0.834 4.233 0.628) 4.360 8.763 ( 6.233 -6.312 8.922) 12.581 8.887 ( -2.336 1.167 -3.186) 4.120 8.960 ( -0.668 -1.233 2.103) 2.528 9.275 ( -5.204 -3.386 -7.640) 9.845 9.443 ( 3.863 -1.043 1.868) 4.416 9.457 ( 6.801 -0.321 -1.074) 6.893 9.649 ( 1.046 -1.969 2.191) 3.126 9.758 ( 2.302 0.704 -4.644) 5.231 9.792 ( -3.365 -2.030 -0.135) 3.932 10.039 ( 3.896 4.906 -0.200) 6.268 10.173 ( -5.054 5.477 -4.521) 8.717 10.376 ( 2.680 1.832 7.443) 8.120 10.412 ( -2.264 -2.863 1.048) 3.798 10.732 ( 5.288 -3.169 -2.207) 6.549 10.848 ( 0.051 -1.879 2.253) 2.934 10.954 ( 5.866 -2.889 2.274) 6.923 11.167 ( 1.245 1.932 6.454) 6.851 11.242 ( -2.292 1.509 -0.388) 2.772 11.278 ( -2.399 -0.447 -2.169) 3.264 11.463 ( 1.812 -2.721 -1.234) 3.494 11.784 ( -7.830 3.967 -1.583) 8.919 12.036 ( 0.229 -0.518 -2.080) 2.155 12.131 ( -1.359 4.336 2.025) 4.974 12.234 ( -2.411 -0.540 3.560) 4.333 12.449 ( 2.240 1.523 -2.152) 3.460 12.537 ( -1.795 2.259 -3.542) 4.568 12.744 ( -1.648 -0.098 -1.256) 2.075 12.794 ( 1.964 -2.381 -0.488) 3.124 12.895 ( -3.404 7.739 1.440) 8.576 13.048 ( -8.086 -5.205 -1.760) 9.776 13.165 ( 0.612 2.394 -0.622) 2.548 13.331 ( -3.224 -0.078 -0.992) 3.374 13.648 ( 6.371 -0.576 -3.019) 7.073 13.734 ( 5.641 -2.013 4.391) 7.426 13.972 ( -3.061 -1.669 0.196) 3.492 14.169 ( 4.129 -4.093 3.425) 6.749 14.519 ( 1.072 2.992 1.061) 3.351 14.637 ( 3.894 1.114 3.544) 5.382 14.941 ( -3.508 -0.192 -2.574) 4.355 15.009 ( -1.864 3.418 -0.239) 3.901 15.097 ( -0.931 0.018 -0.343) 0.992 15.218 ( 3.636 -5.411 -1.646) 6.724 15.470 ( -5.390 3.902 2.492) 7.106 15.641 ( -2.990 -0.795 -5.023) 5.899 15.715 ( 0.091 4.816 -2.961) 5.654 15.757 ( 1.640 9.922 -2.140) 10.282 16.238 ( 2.420 -8.540 3.005) 9.371 16.257 ( 2.173 -8.658 0.364) 8.934 16.601 ( -0.767 0.314 -2.125) 2.281 16.795 ( 1.988 -1.551 3.066) 3.970 17.044 ( 0.308 7.780 -3.716) 8.627 17.197 ( 4.875 8.247 7.008) 11.870 17.451 ( 0.423 0.749 0.920) 1.260 17.552 ( 7.465 0.429 8.373) 11.226 17.613 ( -0.599 -1.294 -0.159) 1.435 17.820 ( 9.434 -3.243 7.760) 12.638 18.004 ( -0.396 -5.359 -0.241) 5.379 18.131 ( -3.746 -5.487 -2.907) 7.252 18.218 ( 5.362 -2.754 5.064) 7.873 18.368 ( 1.967 -4.474 0.397) 4.904 18.799 ( -2.129 4.177 -4.796) 6.706 18.925 ( -0.764 0.827 -1.622) 1.974 19.009 ( -7.084 3.505 -6.158) 10.019 19.225 ( -6.969 3.725 -9.199) 12.127 19.270 ( 0.639 5.505 2.720) 6.174 19.432 ( -5.826 -4.631 -2.681) 7.910 19.526 ( -11.259 -1.454 -9.491) 14.797 19.625 ( -6.657 -2.150 -4.641) 8.395 19.837 ( -2.811 0.342 -0.218) 2.840 19.893 ( 1.268 -0.191 0.167) 1.293 19.982 ( 4.598 -1.074 6.636) 8.145 20.217 ( 2.154 -3.328 -2.094) 4.483 20.331 ( 1.611 2.706 1.185) 3.364 20.487 ( 2.698 -4.086 2.952) 5.717 20.934 ( -9.534 11.827 -9.663) 18.004 21.376 ( 6.327 7.668 8.687) 13.202 21.446 ( -10.911 -1.351 -8.451) 13.867 21.916 ( 3.584 -3.668 3.084) 5.984 22.006 ( -1.488 -0.827 -1.473) 2.251 22.048 ( 1.640 0.065 3.347) 3.728 22.138 ( 0.930 -1.978 -0.261) 2.201 22.282 ( 3.541 3.152 2.083) 5.178 22.413 ( 7.721 -5.260 6.590) 11.433 22.449 ( 5.548 -0.992 4.319) 7.100 22.765 ( 8.616 -0.044 6.026) 10.515 22.993 ( 19.490 -5.014 18.163) 27.109 24.186 ( -17.463 14.407 -21.638) 31.316 24.730 ( 3.208 4.711 2.598) 6.263 25.199 ( -13.701 -0.796 -9.121) 16.479 25.412 ( -0.845 -1.285 1.002) 1.836 25.446 ( -2.912 -0.999 -1.500) 3.425 25.686 ( 1.458 -13.087 9.793) 16.411 25.825 ( 1.090 2.722 -4.747) 5.579 25.974 ( 4.067 -6.050 -1.505) 7.443 26.571 ( -3.084 -1.351 -4.125) 5.325 26.681 ( -4.040 -0.562 3.635) 5.464 26.881 ( -2.106 3.276 0.862) 3.989 26.916 ( 2.862 5.782 0.936) 6.519 27.132 ( 2.393 -3.919 -1.899) 4.969 27.253 ( 5.968 -0.429 0.583) 6.011 27.462 ( -1.129 2.664 2.030) 3.534 27.590 ( 6.014 -0.563 4.658) 7.628 27.938 ( -0.985 1.590 -4.424) 4.803 28.013 ( 1.023 -1.545 0.935) 2.076 28.270 ( -1.988 -2.158 -0.039) 2.934 28.343 ( -0.834 0.548 -1.458) 1.767 28.467 ( -10.618 -0.217 -10.094) 14.652 28.655 ( -14.201 -8.555 -10.643) 19.701 28.784 ( -0.797 5.210 0.921) 5.351 28.897 ( -2.355 0.582 -0.518) 2.481 29.053 ( 1.545 1.479 -0.875) 2.310 29.134 ( 1.834 -0.128 3.334) 3.807 29.399 ( 10.445 2.570 9.193) 14.150 29.575 ( -1.621 2.868 -0.729) 3.374 29.620 ( 4.289 1.180 -1.702) 4.763 29.741 ( 0.124 -1.702 4.359) 4.681 29.950 ( 3.988 -1.267 1.583) 4.474 30.061 ( 8.577 -13.795 -1.148) 16.285 31.015 ( -5.363 4.337 -6.592) 9.541 31.185 ( -4.065 -2.841 -5.742) 7.587 31.611 ( 10.240 2.275 4.610) 11.458 31.723 ( 8.534 0.300 2.282) 8.839 31.944 ( -2.151 4.008 0.300) 4.559 31.971 ( -2.328 4.708 -2.062) 5.642 32.216 ( -2.636 -2.211 1.337) 3.691 32.293 ( -1.554 -2.421 -0.261) 2.889 32.584 ( -0.690 1.081 3.635) 3.854 32.610 ( -0.910 -0.019 0.291) 0.956 32.711 ( -0.857 2.216 -4.353) 4.959 32.927 ( 4.388 -0.798 0.756) 4.524 33.062 ( 1.100 -3.949 4.866) 6.362 33.104 ( 0.937 -7.815 -5.792) 9.772 34.013 ( -6.503 13.832 3.707) 15.728 34.477 ( 6.770 -5.558 9.563) 12.968 38.206 ( -1.484 0.234 -0.599) 1.618 38.299 ( 0.412 -2.340 -1.620) 2.876 38.653 ( -1.556 -1.208 1.722) 2.616 38.766 ( 0.224 -8.138 -5.298) 9.713 39.499 ( -5.737 7.745 0.825) 9.673 39.745 ( 0.585 3.256 -0.050) 3.309 39.783 ( -4.110 15.269 3.018) 16.098 40.198 ( 2.520 4.686 4.309) 6.847 40.925 ( -3.341 -4.304 0.636) 5.485 41.105 ( -0.496 -8.778 -3.203) 9.357 41.632 ( 2.215 10.296 -0.358) 10.538 41.954 ( 7.758 -1.247 -7.215) 10.668 42.359 ( 5.073 0.739 -4.849) 7.056 42.402 ( 4.217 -0.164 0.533) 4.254 42.966 ( -13.133 -9.118 12.083) 20.041 43.215 ( -6.840 -13.124 -2.455) 15.002 ======================= Grid point 82 (40/84) ======================= q-point: ( 0.38 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -3.517 26.770 -6.325) 27.731 2.299 ( 0.308 5.140 -0.572) 5.181 2.389 ( 1.991 7.107 -9.184) 11.783 2.606 ( -8.223 -10.645 1.257) 13.510 2.668 ( -10.672 4.714 8.817) 14.623 2.689 ( 1.879 -0.983 2.221) 3.071 2.837 ( -13.393 3.796 0.247) 13.923 3.129 ( -1.659 -4.281 -2.188) 5.086 3.183 ( -0.395 1.779 0.501) 1.890 3.246 ( 0.929 -0.065 -0.697) 1.163 3.335 ( 0.938 1.778 -1.558) 2.543 3.461 ( -1.484 0.652 0.465) 1.687 3.513 ( -6.034 -6.846 0.892) 9.169 3.677 ( -3.244 4.100 3.611) 6.353 3.760 ( -3.553 -6.880 -1.205) 7.837 3.942 ( -5.250 2.666 1.292) 6.029 4.076 ( -0.263 -1.508 -4.630) 4.877 4.108 ( 4.045 -2.697 -0.529) 4.890 4.241 ( 4.090 -3.870 -2.010) 5.979 4.304 ( 2.699 4.140 -0.824) 5.011 4.500 ( 0.468 -3.550 -1.411) 3.848 4.567 ( -0.922 -0.036 1.077) 1.419 4.893 ( -3.686 4.154 1.315) 5.707 5.023 ( 1.789 -10.890 1.758) 11.175 5.049 ( 4.681 17.314 -5.791) 18.848 5.221 ( -4.374 2.526 2.080) 5.463 5.348 ( 4.668 0.189 -2.583) 5.339 5.438 ( 3.542 8.353 -1.993) 9.289 5.526 ( 6.178 2.323 -3.638) 7.536 5.663 ( -0.843 -1.076 6.093) 6.245 5.739 ( -0.180 6.235 3.729) 7.267 5.886 ( -1.385 -0.108 -2.217) 2.616 5.961 ( -0.500 -1.266 4.902) 5.087 6.005 ( 3.696 -7.330 -4.137) 9.193 6.086 ( -1.160 -3.106 0.199) 3.322 6.209 ( 8.496 -0.772 -1.661) 8.691 6.316 ( -5.207 2.335 4.590) 7.324 6.406 ( -2.842 -0.985 -0.493) 3.048 6.453 ( -4.265 -3.153 -2.303) 5.783 6.500 ( -2.804 5.643 -4.002) 7.465 6.546 ( 1.061 -5.809 3.905) 7.080 6.731 ( -5.586 -6.559 2.813) 9.063 6.937 ( -2.314 0.328 3.254) 4.006 7.073 ( -0.003 -3.599 -4.495) 5.758 7.261 ( -0.989 -6.960 -1.234) 7.138 7.375 ( 3.010 -1.121 1.413) 3.509 7.454 ( 1.835 -1.792 3.751) 4.544 7.531 ( -2.773 -7.601 0.583) 8.112 7.678 ( -0.714 -4.267 -1.077) 4.458 7.810 ( 4.858 10.208 -5.900) 12.752 7.944 ( -3.779 -6.434 -0.427) 7.474 8.278 ( 2.014 2.131 -1.225) 3.178 8.662 ( -2.867 5.693 1.437) 6.534 8.733 ( 5.234 2.955 -3.086) 6.756 8.834 ( 4.295 -7.079 0.876) 8.326 8.932 ( -1.292 5.735 4.368) 7.324 9.017 ( -1.773 -5.648 3.245) 6.751 9.167 ( 0.836 -5.358 2.781) 6.094 9.483 ( 2.176 -1.431 -2.745) 3.784 9.544 ( 2.540 -5.522 2.262) 6.485 9.625 ( -1.604 2.243 -0.618) 2.826 9.762 ( -1.462 -0.288 1.801) 2.337 9.779 ( 2.497 -3.011 -0.300) 3.923 9.988 ( 0.262 0.383 -4.464) 4.488 10.232 ( 4.870 14.042 4.898) 15.649 10.352 ( -4.447 3.377 -0.511) 5.607 10.447 ( -0.574 0.066 0.962) 1.122 10.750 ( 0.285 -3.681 -2.889) 4.688 10.866 ( -0.172 0.482 2.910) 2.954 11.037 ( 2.159 2.579 -0.683) 3.432 11.179 ( 0.058 4.042 -3.611) 5.420 11.253 ( 1.796 -0.617 -0.187) 1.908 11.278 ( 1.427 2.436 0.445) 2.859 11.438 ( -2.687 -4.906 -0.703) 5.638 11.677 ( -4.875 1.704 0.754) 5.219 12.011 ( 0.896 -2.408 -2.685) 3.716 12.171 ( 0.955 0.353 4.460) 4.575 12.257 ( -1.481 2.660 3.460) 4.609 12.425 ( -1.764 -2.660 -1.121) 3.383 12.471 ( -1.609 -0.818 -1.433) 2.305 12.734 ( 2.542 -0.347 -0.532) 2.620 12.821 ( 2.238 1.707 -0.603) 2.879 12.887 ( -1.291 6.600 0.947) 6.792 12.914 ( -6.361 -3.272 -0.677) 7.185 13.157 ( -1.418 0.011 0.913) 1.687 13.294 ( -0.899 2.915 0.037) 3.051 13.690 ( 5.824 -0.667 -3.214) 6.685 13.821 ( 0.287 -1.668 1.615) 2.339 13.950 ( -1.106 -0.872 0.328) 1.447 14.235 ( 1.219 -8.322 -0.180) 8.413 14.569 ( 1.933 3.925 1.424) 4.601 14.735 ( 1.277 0.354 0.522) 1.424 14.868 ( -0.630 3.063 0.435) 3.157 14.997 ( -1.109 -1.574 0.567) 2.007 15.093 ( -2.189 5.292 3.817) 6.882 15.185 ( 0.253 0.925 -4.212) 4.320 15.487 ( 2.384 0.514 2.445) 3.453 15.516 ( -4.539 -8.930 -3.379) 10.572 15.675 ( 0.359 6.229 -1.441) 6.403 15.794 ( 1.023 14.173 3.612) 14.661 16.257 ( -0.208 -10.382 0.404) 10.392 16.320 ( 2.746 -5.458 0.328) 6.119 16.639 ( 4.341 -4.064 2.316) 6.382 16.721 ( -5.037 -4.877 -5.245) 8.756 17.105 ( 4.973 9.145 1.322) 10.493 17.292 ( -2.494 3.190 -1.994) 4.514 17.445 ( 0.618 6.573 1.629) 6.800 17.618 ( 0.666 2.599 0.508) 2.731 17.694 ( 2.606 -0.891 0.775) 2.861 18.033 ( 0.123 -9.362 0.332) 9.369 18.078 ( 1.478 1.506 1.611) 2.655 18.202 ( 8.492 -4.890 7.259) 12.195 18.316 ( 2.490 -5.488 2.435) 6.500 18.383 ( -0.007 -7.504 0.829) 7.549 18.607 ( -3.167 -0.075 -4.015) 5.115 18.741 ( -0.772 2.951 -4.807) 5.693 18.921 ( -9.702 1.073 -6.656) 11.814 19.084 ( -2.026 2.869 -1.618) 3.867 19.167 ( -0.024 1.808 1.229) 2.186 19.341 ( -5.401 0.170 -4.804) 7.230 19.376 ( -0.505 3.498 1.464) 3.826 19.551 ( -0.896 -3.404 -1.241) 3.732 19.804 ( -0.672 -0.500 -0.286) 0.885 19.915 ( 0.584 0.344 1.364) 1.523 20.076 ( 1.331 -2.450 0.209) 2.796 20.232 ( 1.204 -1.696 0.626) 2.172 20.399 ( 2.257 1.385 1.764) 3.182 20.516 ( -1.618 0.137 0.574) 1.722 20.767 ( -1.727 8.681 -3.405) 9.484 21.218 ( -3.424 -5.109 -2.777) 6.748 21.537 ( 0.646 8.078 1.743) 8.289 21.943 ( 1.267 -2.075 -0.134) 2.435 21.974 ( -0.991 -3.218 -1.116) 3.548 22.122 ( 1.882 -1.037 0.946) 2.348 22.138 ( -0.155 2.821 -0.495) 2.869 22.310 ( 0.909 4.107 0.738) 4.271 22.447 ( 1.492 -2.357 -0.384) 2.816 22.637 ( 3.813 -8.531 -1.138) 9.413 23.046 ( 5.414 4.505 5.630) 9.017 23.516 ( 10.668 -7.844 7.673) 15.304 23.778 ( -0.998 15.835 -3.533) 16.255 24.417 ( -13.934 -6.140 -10.802) 18.669 25.137 ( 0.301 12.269 0.965) 12.310 25.403 ( -0.729 -0.682 -0.294) 1.041 25.419 ( -1.003 -0.599 0.521) 1.279 25.701 ( -3.298 -1.808 -0.599) 3.808 25.855 ( 2.471 -5.547 3.351) 6.935 26.022 ( 2.470 -8.403 0.905) 8.805 26.511 ( 0.324 -2.891 -2.210) 3.654 26.635 ( -3.943 -6.588 0.771) 7.717 26.869 ( -0.679 6.432 3.146) 7.192 27.013 ( 0.289 9.187 2.693) 9.578 27.125 ( 1.316 -4.144 -1.329) 4.547 27.301 ( 2.117 3.967 -0.693) 4.550 27.459 ( -1.275 3.249 0.280) 3.501 27.697 ( 1.654 0.286 0.325) 1.710 27.944 ( 3.184 0.770 -0.444) 3.306 28.057 ( 2.853 -1.191 2.621) 4.054 28.191 ( -1.679 -1.894 -1.533) 2.959 28.304 ( -0.643 -3.016 -0.021) 3.084 28.356 ( -5.481 -9.134 -2.987) 11.063 28.394 ( -2.586 -0.241 0.830) 2.726 28.793 ( -0.569 5.219 1.622) 5.494 28.874 ( -1.072 -1.025 0.537) 1.577 29.048 ( 0.180 2.189 -1.212) 2.509 29.197 ( 0.774 -0.080 -0.085) 0.783 29.482 ( -0.553 1.325 -0.870) 1.678 29.619 ( 1.872 0.986 -0.104) 2.119 29.648 ( 3.068 0.840 2.857) 4.275 29.832 ( 1.264 -1.696 0.829) 2.272 29.950 ( -1.770 2.838 0.097) 3.346 30.192 ( 2.097 -6.838 5.079) 8.772 30.868 ( -1.256 4.342 -2.619) 5.224 31.150 ( 2.807 -3.772 -0.586) 4.738 31.756 ( 6.141 2.187 -3.411) 7.357 31.836 ( 6.579 -2.143 -0.210) 6.922 31.901 ( -2.080 4.910 -3.011) 6.124 31.934 ( 0.014 0.241 1.054) 1.081 32.137 ( -5.113 -0.382 -3.266) 6.080 32.264 ( -1.367 -2.458 0.206) 2.820 32.582 ( -1.766 1.056 -0.801) 2.208 32.617 ( 0.825 0.156 1.281) 1.531 32.690 ( -0.605 1.956 -0.060) 2.048 32.998 ( 3.096 -2.407 1.796) 4.313 33.049 ( 0.487 -5.660 -3.631) 6.742 33.157 ( 0.339 -5.127 7.643) 9.210 33.953 ( -3.293 16.128 -2.933) 16.720 34.606 ( 0.358 -10.772 0.600) 10.794 38.194 ( -0.649 1.169 1.747) 2.200 38.306 ( 0.225 -2.996 1.580) 3.395 38.642 ( -1.570 -0.420 0.923) 1.869 38.751 ( 1.136 -7.167 0.714) 7.291 39.426 ( -3.494 5.799 -2.137) 7.099 39.699 ( -3.385 3.130 -1.417) 4.823 39.815 ( 1.155 14.522 2.300) 14.748 40.234 ( -1.337 4.529 -0.293) 4.731 40.881 ( -1.500 -4.361 -0.983) 4.716 41.074 ( 1.629 -9.554 -2.791) 10.086 41.649 ( 1.688 10.309 -1.267) 10.523 41.984 ( 5.932 -1.955 -3.168) 7.004 42.368 ( 6.820 1.904 -7.471) 10.293 42.461 ( 2.822 -0.446 -0.161) 2.862 42.908 ( -13.458 -6.441 9.999) 17.960 43.107 ( -4.202 -10.865 -0.733) 11.672 ======================= Grid point 83 (41/84) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 20.595 19.157 19.246) 34.081 2.269 ( -7.002 8.819 -2.295) 11.492 2.365 ( 5.184 3.234 1.398) 6.268 2.525 ( -0.880 -6.857 1.684) 7.116 2.601 ( 4.777 9.365 -8.678) 13.631 2.700 ( -5.415 -0.620 5.090) 7.458 2.830 ( 1.925 -2.550 5.012) 5.944 3.068 ( 0.982 -7.757 -3.519) 8.574 3.160 ( -2.135 -0.183 0.215) 2.153 3.229 ( -2.349 -1.209 -2.477) 3.622 3.313 ( -1.426 0.102 -5.302) 5.491 3.393 ( -8.159 -3.980 -3.982) 9.913 3.466 ( 1.453 -2.674 1.444) 3.369 3.572 ( -1.589 2.449 -2.485) 3.833 3.790 ( -0.429 0.983 2.511) 2.730 3.960 ( 1.395 -3.173 3.898) 5.216 4.019 ( -0.365 -2.486 1.725) 3.048 4.204 ( 6.404 4.432 -5.642) 9.617 4.275 ( -0.338 -5.315 2.941) 6.084 4.280 ( -0.242 5.612 -2.692) 6.229 4.468 ( 0.453 -0.308 -3.472) 3.515 4.585 ( 2.028 -5.384 0.203) 5.756 4.779 ( -6.276 -4.585 -5.520) 9.533 4.939 ( -2.177 5.354 -4.138) 7.107 5.145 ( 6.313 6.647 1.114) 9.235 5.248 ( -0.147 0.038 2.127) 2.133 5.391 ( 2.134 3.896 -0.271) 4.450 5.441 ( -0.765 2.228 -0.491) 2.406 5.579 ( 3.667 5.692 -1.283) 6.892 5.658 ( -5.940 3.063 3.871) 7.723 5.720 ( -3.149 -0.970 -3.465) 4.782 5.809 ( -2.832 1.159 -5.147) 5.988 5.954 ( 0.677 -5.380 -1.194) 5.552 6.010 ( 1.952 -1.298 1.585) 2.830 6.113 ( 2.344 -4.004 3.075) 5.566 6.264 ( -5.859 -0.965 -0.415) 5.952 6.318 ( 6.397 2.455 -1.134) 6.945 6.392 ( -0.580 -4.651 1.408) 4.893 6.415 ( -2.480 0.366 3.362) 4.193 6.472 ( 2.099 -2.922 -0.369) 3.616 6.618 ( 1.509 -6.556 2.256) 7.096 6.714 ( -0.729 -5.829 4.076) 7.150 6.869 ( -4.215 -0.120 -5.572) 6.988 6.958 ( -0.740 -3.212 -5.654) 6.544 7.216 ( -9.157 2.355 -8.158) 12.488 7.319 ( -5.788 -2.759 -7.803) 10.099 7.419 ( 3.723 -0.531 4.993) 6.251 7.593 ( 5.352 -5.967 5.434) 9.684 7.786 ( 2.289 2.659 3.104) 4.685 7.875 ( 7.221 7.160 4.698) 11.202 7.993 ( 4.650 -5.526 3.847) 8.182 8.327 ( 3.484 -0.600 2.594) 4.384 8.602 ( -2.270 5.980 -1.109) 6.492 8.731 ( -1.471 -4.225 -5.591) 7.160 8.870 ( -0.568 -0.017 -1.718) 1.810 8.913 ( -4.498 2.409 0.913) 5.184 9.021 ( -1.894 3.455 6.797) 7.856 9.304 ( 1.856 -7.845 7.761) 11.190 9.464 ( 1.308 -4.333 -0.283) 4.535 9.592 ( 0.337 -4.502 1.987) 4.932 9.643 ( 2.552 2.984 2.239) 4.520 9.738 ( -3.374 2.353 0.821) 4.194 9.862 ( 3.581 -1.074 4.549) 5.888 10.015 ( 6.796 -0.906 0.262) 6.862 10.200 ( -6.435 8.633 -3.546) 11.337 10.358 ( -5.972 1.230 -6.714) 9.070 10.398 ( 0.767 5.301 4.923) 7.275 10.733 ( 3.338 0.416 -2.647) 4.280 10.884 ( -2.193 0.898 2.953) 3.786 11.022 ( -0.867 2.879 -0.736) 3.096 11.152 ( 1.274 3.705 -3.433) 5.209 11.201 ( -3.047 1.401 -5.440) 6.391 11.264 ( -2.352 -1.173 -2.310) 3.499 11.406 ( 2.806 -0.791 -2.782) 4.030 11.697 ( 0.980 -2.438 5.283) 5.900 11.990 ( 1.121 -2.751 -3.528) 4.612 12.215 ( -3.092 -0.341 4.834) 5.748 12.267 ( -3.890 -1.179 3.063) 5.090 12.438 ( 4.794 -3.882 0.949) 6.241 12.465 ( 1.761 -1.650 0.247) 2.426 12.772 ( 0.043 0.791 -0.127) 0.802 12.815 ( 1.131 0.337 -0.186) 1.194 12.880 ( -0.385 3.989 1.046) 4.142 12.896 ( 1.276 2.526 0.706) 2.917 13.165 ( -0.262 -0.018 2.840) 2.852 13.301 ( 0.882 4.187 0.821) 4.356 13.738 ( 3.961 -0.395 -1.481) 4.247 13.805 ( -2.717 -0.618 -0.534) 2.837 13.922 ( -1.689 -1.961 -0.940) 2.754 14.191 ( -2.520 -5.226 -4.895) 7.591 14.564 ( -2.404 2.290 -1.227) 3.540 14.670 ( -2.626 1.115 -2.943) 4.099 14.933 ( 0.559 0.583 3.428) 3.521 14.990 ( 0.870 0.234 0.794) 1.201 15.084 ( -0.100 3.810 -0.463) 3.839 15.278 ( 4.421 1.189 7.539) 8.820 15.373 ( -2.873 -3.335 -3.917) 5.892 15.621 ( 5.353 -3.709 4.684) 8.022 15.727 ( 3.226 2.392 5.218) 6.585 15.849 ( -0.674 14.248 4.182) 14.864 16.249 ( -2.160 -7.931 -2.380) 8.557 16.295 ( -1.825 -4.853 -3.346) 6.171 16.604 ( -0.564 -3.644 -2.038) 4.213 16.757 ( 3.198 -5.348 1.593) 6.431 17.110 ( -1.573 8.474 -1.901) 8.826 17.213 ( -2.208 4.482 -3.958) 6.374 17.454 ( -3.745 7.121 -2.990) 8.583 17.569 ( -2.270 -3.392 -3.237) 5.209 17.632 ( -1.603 -2.522 -3.089) 4.298 17.920 ( -7.424 1.552 -11.092) 13.438 18.046 ( -8.823 -9.846 -7.084) 14.999 18.106 ( 2.418 -2.571 2.332) 4.230 18.272 ( -3.650 -3.385 -3.034) 5.830 18.396 ( -1.723 -6.866 -0.788) 7.122 18.822 ( 4.525 2.347 7.446) 9.024 18.888 ( 7.806 6.712 9.148) 13.772 18.958 ( 5.506 0.235 5.241) 7.605 19.141 ( 7.332 -0.965 5.931) 9.479 19.202 ( 4.167 3.221 2.425) 5.798 19.310 ( 5.889 -1.552 6.812) 9.138 19.394 ( 3.858 1.431 3.017) 5.102 19.540 ( 1.431 -4.439 -1.083) 4.788 19.814 ( 0.945 0.054 1.262) 1.577 19.932 ( -0.906 -0.873 0.575) 1.383 20.041 ( -3.870 0.067 -2.117) 4.412 20.250 ( 0.819 2.010 -1.057) 2.414 20.356 ( -3.648 2.971 -3.639) 5.948 20.516 ( -1.102 -4.245 0.745) 4.448 20.801 ( 6.731 8.255 3.105) 11.095 21.276 ( 8.088 -4.610 6.743) 11.495 21.452 ( -7.775 9.345 -7.911) 14.504 21.952 ( -0.544 -4.275 -0.778) 4.379 21.972 ( 1.968 -1.332 0.835) 2.519 22.069 ( -4.952 1.420 -4.703) 6.975 22.134 ( 0.130 -0.375 -1.720) 1.765 22.330 ( -0.348 3.024 0.670) 3.117 22.456 ( -0.723 -2.468 -2.264) 3.426 22.519 ( -6.979 -4.185 -11.313) 13.936 22.876 ( -7.805 0.703 -8.850) 11.821 23.226 ( -21.549 -6.644 -23.926) 32.878 24.061 ( 17.316 15.097 20.599) 30.856 24.663 ( 17.922 -6.636 18.054) 26.290 25.055 ( -4.032 12.021 -5.280) 13.735 25.393 ( -0.137 -0.753 -0.312) 0.826 25.416 ( -0.037 -0.306 0.303) 0.433 25.621 ( -4.208 -6.271 -5.678) 9.449 25.954 ( 1.453 -3.562 7.903) 8.789 26.064 ( 0.556 -7.207 2.638) 7.695 26.504 ( 1.838 0.429 -2.014) 2.760 26.623 ( -0.876 -6.202 1.446) 6.429 26.894 ( -1.798 3.345 3.408) 5.102 26.988 ( -2.467 5.395 -0.732) 5.978 27.165 ( 3.173 -3.152 2.122) 4.950 27.317 ( 0.171 -0.393 -1.499) 1.559 27.427 ( -1.373 3.140 -1.178) 3.624 27.649 ( -3.755 -0.776 -5.332) 6.568 27.988 ( 3.040 2.540 3.652) 5.388 28.055 ( -3.433 1.144 0.095) 3.619 28.237 ( 2.433 -2.979 2.572) 4.627 28.335 ( 3.755 0.209 5.713) 6.840 28.384 ( 0.591 1.545 0.522) 1.734 28.501 ( 10.339 -8.271 12.218) 18.016 28.795 ( -1.470 5.258 1.120) 5.573 28.877 ( -0.625 -1.638 0.333) 1.785 29.036 ( 0.784 1.673 -1.424) 2.333 29.133 ( -2.843 0.926 -5.180) 5.981 29.481 ( 0.128 -0.212 0.566) 0.618 29.634 ( 0.022 3.730 -0.625) 3.782 29.674 ( -3.745 0.206 0.324) 3.765 29.765 ( -6.490 2.201 -5.553) 8.820 29.930 ( 3.804 -0.391 1.256) 4.025 30.205 ( -3.674 -10.460 0.343) 11.092 31.007 ( 8.271 2.570 10.842) 13.877 31.195 ( 2.585 -2.418 2.593) 4.388 31.720 ( -2.278 4.662 -10.965) 12.131 31.823 ( 1.393 4.154 -0.904) 4.473 31.864 ( -1.860 -2.490 -4.479) 5.451 31.953 ( 0.262 -1.931 1.368) 2.381 32.092 ( 3.179 0.163 -1.256) 3.422 32.240 ( -1.564 -3.002 -2.686) 4.321 32.555 ( -0.064 1.117 -0.002) 1.119 32.639 ( -2.497 -1.985 2.244) 3.900 32.668 ( 1.376 1.883 -2.347) 3.308 32.981 ( 0.070 -9.103 -5.299) 10.533 33.102 ( 1.509 2.672 7.023) 7.664 33.272 ( -0.984 -2.999 12.113) 12.517 33.833 ( -2.630 15.506 -9.296) 18.269 34.485 ( -6.867 -10.694 -11.312) 17.014 38.236 ( 0.041 2.636 5.285) 5.906 38.340 ( 0.438 -2.967 3.024) 4.259 38.640 ( -0.656 -1.244 1.135) 1.807 38.808 ( 2.709 -2.698 4.143) 5.637 39.345 ( -1.110 4.383 -5.300) 6.967 39.627 ( -0.836 3.052 -4.993) 5.912 39.852 ( -0.874 10.874 3.156) 11.356 40.163 ( -2.597 3.904 -5.314) 7.087 40.873 ( 0.702 -4.564 0.376) 4.633 41.077 ( 2.649 -10.037 -2.286) 10.629 41.658 ( 0.888 10.810 -0.025) 10.847 42.042 ( 5.583 -3.403 -1.684) 6.752 42.367 ( 6.915 2.895 -8.648) 11.445 42.464 ( -0.486 0.256 -1.984) 2.059 42.838 ( -12.760 -4.060 9.484) 16.409 43.097 ( 2.175 -10.237 1.455) 10.566 ======================= Grid point 84 (42/84) ======================= q-point: (-0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -14.603 17.333 -8.245) 24.118 2.223 ( -6.063 20.647 8.220) 23.035 2.418 ( 6.361 0.360 4.348) 7.714 2.563 ( 6.905 5.085 -3.155) 9.137 2.607 ( 6.533 11.287 -9.497) 16.133 2.861 ( 9.396 -3.214 5.034) 11.133 2.917 ( 8.019 -2.142 -1.433) 8.423 3.067 ( -6.702 0.377 6.418) 9.287 3.129 ( 6.525 -10.468 -0.463) 12.344 3.152 ( -4.899 -8.366 -4.583) 10.723 3.204 ( 7.208 -6.553 -0.894) 9.783 3.350 ( 0.676 -0.818 4.198) 4.330 3.540 ( 5.742 -0.311 0.508) 5.773 3.572 ( 3.397 -0.793 -1.470) 3.785 3.796 ( -1.388 3.347 2.847) 4.608 3.955 ( -5.143 2.641 -8.077) 9.933 4.064 ( 1.612 -8.691 4.338) 9.846 4.191 ( 4.134 3.937 3.638) 6.769 4.273 ( 2.266 2.485 -2.322) 4.087 4.341 ( 3.746 1.147 -1.205) 4.099 4.448 ( -0.186 -0.181 -0.652) 0.702 4.577 ( 0.023 -3.216 -3.598) 4.826 4.700 ( 1.524 -7.762 -0.808) 7.952 4.862 ( 0.504 3.061 -5.507) 6.321 5.152 ( -9.815 3.962 -5.316) 11.844 5.241 ( 0.704 -1.560 2.787) 3.270 5.366 ( -0.957 -0.861 1.190) 1.753 5.466 ( 0.295 6.458 1.239) 6.582 5.538 ( -7.650 6.484 -2.065) 10.239 5.623 ( 0.925 2.174 -1.616) 2.863 5.638 ( -2.866 0.769 5.423) 6.182 5.846 ( 8.459 1.329 -0.092) 8.564 5.927 ( 2.850 -7.901 -6.507) 10.625 6.096 ( -4.004 -5.494 -0.197) 6.801 6.124 ( -2.974 -3.988 7.312) 8.844 6.232 ( 1.385 7.766 2.088) 8.161 6.287 ( -1.099 -14.755 -7.780) 16.717 6.392 ( 5.263 -0.791 -1.514) 5.533 6.493 ( 3.056 -0.403 7.556) 8.161 6.552 ( -0.257 -1.107 5.583) 5.698 6.654 ( -0.411 -3.389 -1.206) 3.621 6.756 ( 1.423 -6.172 -0.256) 6.340 6.788 ( 3.153 1.110 -1.144) 3.533 6.926 ( 2.969 0.303 -3.054) 4.270 7.004 ( -2.107 -0.116 -4.140) 4.646 7.189 ( 0.487 -2.902 -3.555) 4.615 7.513 ( -0.954 0.942 3.632) 3.872 7.685 ( 1.276 0.896 -1.902) 2.459 7.822 ( -1.251 8.088 0.567) 8.204 7.984 ( 1.797 3.907 -2.391) 4.921 8.123 ( 2.814 -4.334 7.894) 9.435 8.391 ( 1.360 -5.804 -2.928) 6.642 8.552 ( -4.416 -0.832 0.463) 4.518 8.608 ( -2.978 4.770 -2.407) 6.117 8.854 ( -1.179 -2.388 -0.004) 2.663 8.863 ( -2.082 -0.357 2.676) 3.409 9.093 ( -0.875 3.880 7.346) 8.353 9.350 ( 1.043 0.324 -1.164) 1.596 9.521 ( -0.719 -0.795 4.709) 4.830 9.612 ( -2.528 -2.500 -0.038) 3.555 9.664 ( -2.419 -1.360 5.170) 5.868 9.773 ( 2.977 -0.213 1.696) 3.433 9.938 ( -0.805 2.913 4.212) 5.184 10.045 ( -5.273 8.482 -5.355) 11.333 10.166 ( 8.404 -4.272 2.372) 9.722 10.185 ( -2.933 0.139 -5.732) 6.440 10.397 ( -4.291 -1.231 0.601) 4.504 10.748 ( 3.266 3.002 -4.309) 6.184 10.892 ( -6.317 3.499 2.808) 7.748 10.971 ( -5.287 -1.107 0.109) 5.403 11.061 ( -4.740 0.081 -1.602) 5.004 11.160 ( 4.733 1.036 -1.813) 5.173 11.248 ( 3.198 -1.539 -0.707) 3.619 11.420 ( 5.409 3.028 -5.386) 8.212 11.771 ( 0.582 -3.829 3.625) 5.304 11.991 ( 5.278 -0.246 -1.660) 5.538 12.203 ( -5.466 -0.934 3.111) 6.358 12.244 ( -3.865 -5.308 3.167) 7.290 12.505 ( 4.244 -1.987 -0.115) 4.688 12.554 ( 6.487 -0.208 0.963) 6.561 12.745 ( -2.878 0.358 -0.546) 2.951 12.823 ( -0.837 -1.434 -0.787) 1.837 12.875 ( 0.309 8.141 1.269) 8.245 12.973 ( 6.056 -0.576 0.742) 6.129 13.209 ( 0.218 1.937 2.611) 3.258 13.335 ( 2.351 3.760 0.778) 4.502 13.703 ( -5.916 -0.067 -2.152) 6.296 13.759 ( -2.191 -0.920 -0.279) 2.392 13.929 ( 2.290 -3.212 1.523) 4.228 14.071 ( -2.619 1.808 -6.132) 6.909 14.546 ( 0.152 -0.115 2.281) 2.288 14.606 ( -2.024 0.418 -1.729) 2.695 14.958 ( -0.163 1.120 1.352) 1.763 15.039 ( 1.972 1.374 1.651) 2.916 15.095 ( 1.916 2.458 0.302) 3.131 15.231 ( -2.752 -4.908 -4.087) 6.955 15.484 ( 0.333 3.404 7.433) 8.182 15.717 ( 1.778 -4.282 -0.149) 4.638 15.829 ( -0.212 5.465 5.554) 7.795 15.901 ( 0.843 5.361 4.241) 6.888 16.156 ( -2.306 -3.653 -3.523) 5.574 16.211 ( -1.281 -5.184 -4.449) 6.950 16.640 ( 2.550 -2.103 2.267) 4.008 16.700 ( -3.601 0.648 -5.081) 6.261 17.125 ( -3.748 1.944 -2.504) 4.910 17.165 ( 4.786 3.945 4.617) 7.732 17.379 ( 3.324 -2.083 2.154) 4.475 17.471 ( -9.494 -0.006 -5.914) 11.186 17.582 ( 0.141 0.256 -1.879) 1.902 17.680 ( -2.150 1.189 -5.608) 6.122 18.028 ( 2.970 -2.737 2.947) 5.000 18.125 ( -3.884 0.357 -5.956) 7.120 18.218 ( -0.894 -7.693 3.678) 8.574 18.365 ( 2.249 -7.197 -0.073) 7.540 18.892 ( -0.349 2.892 1.086) 3.109 18.915 ( -1.065 3.510 0.190) 3.673 19.083 ( 5.010 4.075 4.184) 7.695 19.147 ( -1.955 3.883 -4.716) 6.414 19.323 ( 2.096 -3.881 1.886) 4.797 19.471 ( 0.430 -4.331 -5.364) 6.908 19.623 ( 8.017 1.532 12.886) 15.253 19.759 ( 9.399 -0.982 11.070) 14.555 19.822 ( -4.424 -0.054 -3.606) 5.708 19.876 ( -0.530 0.202 -2.162) 2.235 19.938 ( -3.678 4.067 1.579) 5.706 20.187 ( -1.960 5.017 -7.414) 9.165 20.347 ( 1.608 -5.707 3.865) 7.078 20.469 ( -1.342 -5.039 -2.775) 5.908 21.030 ( 10.517 10.456 6.609) 16.237 21.105 ( -10.292 14.182 -13.415) 22.068 21.636 ( 17.376 -5.138 16.661) 24.615 21.800 ( -13.993 -3.875 -13.793) 20.027 21.980 ( 0.532 -2.609 -0.563) 2.722 22.012 ( 1.235 -1.225 -0.174) 1.748 22.106 ( -4.074 -1.255 -5.063) 6.618 22.125 ( -3.017 -4.307 -6.439) 8.313 22.401 ( 0.881 2.254 2.668) 3.602 22.439 ( -2.309 2.751 -1.976) 4.099 22.746 ( -4.578 -4.996 -2.302) 7.157 22.811 ( -4.192 -4.080 -4.756) 7.539 24.553 ( 13.666 13.525 16.429) 25.290 24.653 ( -13.464 10.256 -9.672) 19.494 25.256 ( 11.774 -4.987 7.861) 15.009 25.352 ( -3.426 -4.688 -6.418) 8.654 25.441 ( 2.560 -2.193 0.647) 3.432 25.455 ( -1.664 -3.198 -4.281) 5.597 26.036 ( -3.934 -2.313 4.966) 6.744 26.111 ( -0.237 -7.067 4.492) 8.377 26.542 ( 2.809 4.114 -0.663) 5.026 26.585 ( 1.593 -1.612 -2.035) 3.046 26.897 ( -2.686 -2.120 2.355) 4.154 27.012 ( 1.389 -1.878 3.267) 4.016 27.192 ( -2.966 -4.453 -0.766) 5.405 27.252 ( -1.697 -3.270 -2.899) 4.688 27.424 ( -0.810 1.280 0.923) 1.774 27.543 ( -0.332 1.157 -2.230) 2.534 28.014 ( -3.036 2.759 1.212) 4.278 28.107 ( 4.467 0.925 5.431) 7.092 28.275 ( 0.601 0.493 2.255) 2.385 28.341 ( -0.853 4.618 -1.909) 5.069 28.617 ( 7.694 -2.157 8.298) 11.520 28.743 ( 3.167 -4.638 0.431) 5.633 28.779 ( 0.020 3.861 0.576) 3.903 28.860 ( 3.891 4.246 0.043) 5.759 29.034 ( -0.319 -1.239 -1.665) 2.100 29.064 ( 1.218 0.095 -1.676) 2.074 29.386 ( -9.440 5.059 1.177) 10.775 29.606 ( 2.091 0.826 2.552) 3.401 29.654 ( -1.292 -0.555 -1.561) 2.101 29.733 ( 2.426 2.469 2.195) 4.099 29.976 ( -1.324 -5.813 1.124) 6.067 30.172 ( 2.571 -14.949 -0.863) 15.193 31.182 ( 1.615 3.826 6.569) 7.771 31.338 ( 2.165 -1.578 5.098) 5.759 31.510 ( -4.491 1.975 -6.505) 8.148 31.675 ( -10.198 -1.663 -10.247) 14.553 31.895 ( 3.952 4.359 1.661) 6.113 31.948 ( -1.877 0.923 -1.424) 2.531 32.095 ( -1.341 -1.856 -4.835) 5.350 32.187 ( 4.559 -1.290 -3.159) 5.695 32.531 ( -3.048 0.616 -0.296) 3.123 32.649 ( -1.963 -5.379 3.783) 6.863 32.693 ( 5.490 1.066 -1.323) 5.747 32.908 ( -0.444 -6.881 -5.689) 8.939 33.224 ( -0.553 4.723 10.753) 11.758 33.448 ( -1.214 -1.384 18.817) 18.907 33.667 ( -0.584 13.278 -12.068) 17.952 34.190 ( -7.129 -6.458 -16.410) 19.021 38.306 ( -0.634 2.485 5.598) 6.158 38.399 ( 1.639 -2.637 4.165) 5.195 38.646 ( -0.978 0.331 1.434) 1.767 38.932 ( 7.107 2.362 4.256) 8.614 39.278 ( 1.271 3.086 -4.783) 5.832 39.564 ( 3.104 1.707 -6.783) 7.652 39.870 ( -2.760 7.017 4.090) 8.578 40.060 ( -1.347 3.561 -5.397) 6.605 40.892 ( 0.139 -4.720 0.985) 4.824 41.077 ( 2.160 -9.856 -3.826) 10.791 41.671 ( -1.120 10.637 1.986) 10.879 42.063 ( 4.681 -4.386 -8.914) 10.982 42.359 ( 4.282 3.055 -5.017) 7.269 42.408 ( -2.302 1.102 -3.062) 3.986 42.785 ( -11.312 -1.757 10.118) 15.278 43.185 ( 6.351 -11.090 1.554) 12.874 ======================= Grid point 85 (43/84) ======================= q-point: (-0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -13.877 26.722 -8.938) 31.409 1.912 ( -19.873 20.324 -9.077) 29.840 2.544 ( 5.097 7.630 -8.632) 12.598 2.602 ( 2.566 6.210 7.249) 9.884 2.635 ( -1.220 5.906 -1.296) 6.169 2.899 ( 5.428 4.879 2.943) 7.870 3.015 ( -0.178 -5.644 0.167) 5.649 3.122 ( 6.520 -7.395 -5.808) 11.443 3.142 ( 7.944 -0.166 -0.549) 7.965 3.240 ( 2.872 -1.308 6.817) 7.512 3.373 ( 5.973 -4.048 1.287) 7.329 3.421 ( 2.169 1.327 1.014) 2.737 3.621 ( 6.406 3.493 -0.796) 7.340 3.663 ( 6.674 3.222 2.462) 7.809 3.799 ( 0.415 2.787 -0.769) 2.921 3.864 ( 2.215 -5.591 2.477) 6.504 4.166 ( 4.159 -7.312 3.037) 8.944 4.218 ( -2.816 -3.730 -3.272) 5.705 4.322 ( 1.925 1.090 -2.963) 3.698 4.340 ( 4.765 7.815 0.137) 9.155 4.452 ( -1.032 -3.728 1.675) 4.215 4.551 ( 3.457 -3.263 -3.452) 5.875 4.665 ( -4.131 2.544 -4.853) 6.862 4.871 ( 4.698 -4.211 1.744) 6.545 4.966 ( -6.221 2.438 1.746) 6.906 5.263 ( -2.839 -4.578 -0.388) 5.401 5.374 ( 1.311 1.449 -1.089) 2.237 5.429 ( -4.601 3.557 0.287) 5.822 5.495 ( 0.861 5.601 4.857) 7.464 5.576 ( -3.089 11.038 -1.673) 11.584 5.690 ( -1.952 -3.377 1.410) 4.148 5.855 ( -0.769 -9.576 -4.794) 10.736 5.976 ( 7.003 2.133 -1.079) 7.400 6.039 ( -1.268 -2.452 3.263) 4.274 6.134 ( -2.085 -1.965 -1.382) 3.181 6.212 ( -1.922 -4.020 2.100) 4.926 6.302 ( 1.791 -0.568 0.001) 1.879 6.405 ( -4.954 -2.711 -2.671) 6.247 6.555 ( 4.942 0.777 2.505) 5.595 6.573 ( 3.931 -2.327 -2.691) 5.302 6.727 ( 4.669 -2.905 4.754) 7.269 6.791 ( 7.328 -2.518 -1.412) 7.876 6.889 ( 2.883 -1.999 3.944) 5.279 6.978 ( 8.308 -2.068 2.124) 8.821 7.072 ( 4.802 -4.354 4.968) 8.167 7.286 ( 9.322 -2.940 3.876) 10.515 7.507 ( -3.613 1.095 2.746) 4.668 7.548 ( -6.014 7.011 -10.749) 14.173 7.744 ( -4.240 2.965 -3.596) 6.301 7.944 ( -4.578 -1.677 -3.616) 6.070 8.128 ( -0.921 -10.389 -2.129) 10.645 8.269 ( -8.658 -4.061 -6.063) 11.323 8.506 ( -2.805 1.158 -0.031) 3.035 8.661 ( 4.345 10.071 4.702) 11.933 8.859 ( 0.467 -10.158 1.714) 10.312 8.909 ( 0.734 2.552 4.398) 5.137 9.155 ( -1.796 1.988 4.493) 5.231 9.334 ( 0.099 4.346 -3.079) 5.327 9.487 ( -4.978 1.561 -1.180) 5.348 9.602 ( -3.204 -1.928 1.858) 4.175 9.675 ( -1.645 0.953 2.377) 3.044 9.751 ( -3.312 -2.582 -7.364) 8.477 9.881 ( -4.613 0.983 -2.069) 5.151 9.986 ( -0.162 1.073 -0.903) 1.412 10.143 ( 0.704 2.276 4.670) 5.243 10.352 ( 7.829 -3.627 4.090) 9.549 10.361 ( -2.305 -1.776 3.979) 4.929 10.679 ( -6.645 3.167 -2.680) 7.834 10.795 ( -4.011 -1.288 -4.184) 5.937 10.879 ( -1.106 -2.331 -0.314) 2.599 11.097 ( -0.272 -0.583 5.791) 5.827 11.160 ( -2.445 -1.806 -3.381) 4.546 11.308 ( 7.124 2.423 -0.798) 7.567 11.467 ( 5.636 -0.333 -0.227) 5.650 11.824 ( 3.823 -0.515 0.756) 3.931 12.077 ( 6.065 -0.459 -1.056) 6.173 12.175 ( -2.360 1.811 2.734) 4.040 12.217 ( -4.233 -4.747 2.527) 6.844 12.538 ( 0.090 3.060 -1.360) 3.350 12.628 ( 3.841 0.867 -1.123) 4.095 12.687 ( -2.175 -1.056 -1.575) 2.885 12.797 ( 0.329 -3.796 -1.415) 4.064 12.924 ( 2.916 3.971 2.156) 5.378 13.059 ( 5.656 0.837 -1.125) 5.827 13.210 ( -2.022 4.188 0.184) 4.654 13.366 ( 0.705 -1.098 -1.191) 1.767 13.580 ( -6.422 2.332 -1.457) 6.986 13.743 ( -1.957 0.073 3.259) 3.802 13.920 ( -1.665 4.647 -3.125) 5.842 14.074 ( 4.005 -3.338 3.847) 6.480 14.574 ( -1.306 1.880 -0.535) 2.351 14.611 ( 2.858 0.581 4.041) 4.984 14.963 ( -0.655 1.749 0.191) 1.877 15.076 ( 3.895 3.551 -2.014) 5.642 15.083 ( -3.623 -2.198 -2.034) 4.700 15.232 ( 3.338 -0.486 4.443) 5.579 15.459 ( -6.906 3.964 -0.569) 7.983 15.650 ( -3.120 -3.057 -7.018) 8.267 15.800 ( -6.180 4.529 -3.178) 8.295 15.966 ( 1.921 0.840 3.093) 3.737 16.153 ( 3.281 -0.520 3.986) 5.189 16.241 ( 3.441 -10.141 2.649) 11.032 16.549 ( -3.501 0.720 -2.922) 4.617 16.763 ( 1.045 -4.680 -0.063) 4.796 17.015 ( -2.597 7.221 0.097) 7.674 17.230 ( -0.769 4.857 -1.954) 5.291 17.418 ( 5.085 1.741 5.748) 7.869 17.484 ( -1.507 -3.278 -1.758) 4.014 17.644 ( -1.610 -0.305 -2.702) 3.160 17.699 ( 14.868 -1.989 17.216) 22.834 18.012 ( 1.795 2.997 0.727) 3.568 18.123 ( 0.832 -2.665 -0.536) 2.842 18.226 ( 0.980 -3.792 2.836) 4.835 18.466 ( 4.854 -9.114 2.942) 10.737 18.806 ( -4.391 5.619 -1.851) 7.368 19.018 ( 2.954 0.896 2.306) 3.853 19.049 ( -6.390 3.099 -6.599) 9.695 19.141 ( -7.466 0.751 -6.074) 9.653 19.226 ( -3.229 0.345 -4.692) 5.707 19.360 ( -1.988 -5.564 -3.684) 6.963 19.530 ( -4.818 -0.201 -8.039) 9.374 19.676 ( -11.588 -1.393 -16.825) 20.477 19.810 ( -0.291 0.187 1.276) 1.322 19.904 ( 1.394 -1.456 1.330) 2.415 20.018 ( 0.274 5.954 6.159) 8.571 20.176 ( 4.289 5.678 1.987) 7.387 20.333 ( 0.455 -1.742 0.912) 2.018 20.556 ( 6.044 -6.954 4.645) 10.318 20.768 ( -7.950 10.593 -8.299) 15.630 21.332 ( 0.757 3.401 -1.457) 3.776 21.464 ( 1.744 4.479 -1.990) 5.202 21.923 ( -1.297 -2.819 -0.790) 3.202 21.968 ( -1.431 -3.328 -1.465) 3.908 22.024 ( 4.770 1.408 5.490) 7.408 22.077 ( 1.778 -4.136 1.182) 4.655 22.240 ( 8.406 -5.179 8.235) 12.857 22.389 ( -1.062 2.025 -1.116) 2.545 22.434 ( -1.142 1.222 0.907) 1.903 22.732 ( 4.693 -0.010 7.120) 8.527 22.953 ( 12.965 -8.747 14.745) 21.495 24.213 ( -20.133 13.168 -15.846) 28.806 24.844 ( -3.277 -0.633 -3.859) 5.102 25.056 ( -1.560 3.162 -4.737) 5.905 25.404 ( 1.616 -0.278 -0.060) 1.641 25.444 ( 1.694 -0.077 0.572) 1.790 25.603 ( 7.321 -1.668 4.192) 8.600 25.955 ( -8.956 -2.032 -0.830) 9.221 26.139 ( -1.350 -11.219 0.491) 11.311 26.508 ( 2.775 1.573 -0.946) 3.328 26.748 ( 5.638 -1.784 0.630) 5.947 26.849 ( -1.225 2.747 4.387) 5.319 27.046 ( 0.359 -4.373 0.388) 4.405 27.103 ( -6.680 -4.043 -2.897) 8.328 27.231 ( 0.735 -7.843 2.100) 8.153 27.440 ( 2.349 3.749 2.782) 5.226 27.598 ( 4.849 -0.079 2.714) 5.558 27.974 ( -4.259 3.196 -0.898) 5.400 28.215 ( 3.223 -1.291 0.811) 3.566 28.257 ( -3.962 1.232 -5.334) 6.758 28.356 ( 1.300 4.051 2.883) 5.139 28.534 ( -6.408 4.142 -7.557) 10.739 28.635 ( -4.212 -5.674 -8.134) 10.775 28.830 ( 1.442 3.322 1.073) 3.777 28.929 ( -0.838 1.920 -1.700) 2.698 29.055 ( 2.051 -2.136 0.309) 2.977 29.096 ( 4.627 -0.554 0.166) 4.663 29.412 ( 1.687 2.396 5.931) 6.616 29.639 ( 1.752 0.868 0.108) 1.958 29.687 ( 1.132 -0.558 4.145) 4.333 29.757 ( -1.965 -0.939 1.017) 2.404 30.067 ( 12.262 -3.329 4.813) 13.587 30.289 ( 7.930 -6.149 8.397) 13.084 31.116 ( -9.073 2.976 -15.217) 17.965 31.295 ( -6.513 -2.069 -7.948) 10.482 31.317 ( -9.396 0.962 -2.534) 9.779 31.550 ( -4.977 -6.661 8.241) 11.707 31.847 ( -2.950 4.018 -4.078) 6.440 31.948 ( 0.851 0.094 0.540) 1.012 32.080 ( 3.326 3.051 -0.359) 4.528 32.227 ( 2.392 0.554 -0.050) 2.455 32.517 ( 0.883 -0.585 1.172) 1.580 32.641 ( -4.594 -6.766 3.375) 8.848 32.742 ( 2.258 -0.994 -3.027) 3.905 32.859 ( 1.791 -3.488 -1.745) 4.292 33.305 ( -1.477 5.819 0.990) 6.085 33.580 ( -0.101 9.565 2.784) 9.963 33.628 ( -3.339 -2.338 6.081) 7.321 33.998 ( 1.250 -2.884 0.963) 3.288 38.344 ( -0.899 2.277 2.175) 3.274 38.476 ( 2.257 -5.297 2.560) 6.302 38.638 ( -1.423 3.336 -0.217) 3.634 39.093 ( 6.051 -0.901 1.572) 6.316 39.298 ( 11.626 9.686 -2.564) 15.348 39.583 ( 7.102 0.708 -0.851) 7.188 39.862 ( -3.762 5.089 1.625) 6.534 40.027 ( -0.018 2.033 2.992) 3.617 40.896 ( -0.951 -4.200 0.908) 4.400 41.025 ( -0.227 -9.057 -7.809) 11.961 41.667 ( -3.277 9.012 2.302) 9.861 41.928 ( 0.194 0.529 -17.110) 17.120 42.330 ( -2.180 0.984 -2.832) 3.707 42.376 ( 1.356 0.228 -0.372) 1.425 42.771 ( -9.491 0.263 12.021) 15.318 43.295 ( 6.669 -12.159 0.325) 13.872 ======================= Grid point 86 (44/84) ======================= q-point: (-0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 1.952 36.183 -0.392) 36.238 1.630 ( -9.613 32.476 0.567) 33.873 2.489 ( -3.453 13.329 5.147) 14.700 2.568 ( -1.966 12.104 2.486) 12.512 2.807 ( 6.121 -6.199 1.219) 8.796 2.966 ( -0.487 9.477 -1.045) 9.546 3.034 ( 2.577 -4.986 0.144) 5.614 3.120 ( 1.952 -2.270 2.346) 3.803 3.222 ( -5.131 10.640 3.266) 12.256 3.311 ( 6.669 -2.279 -1.746) 7.261 3.460 ( 4.180 -1.198 1.726) 4.678 3.481 ( 7.212 -3.546 0.274) 8.042 3.636 ( 0.614 7.026 -2.608) 7.519 3.769 ( 4.298 0.915 0.322) 4.406 3.884 ( 5.405 -4.839 0.204) 7.257 3.910 ( -0.455 -6.403 0.265) 6.424 4.083 ( -3.810 2.745 -0.562) 4.729 4.219 ( 2.262 -2.319 -6.259) 7.047 4.330 ( 3.269 -6.594 1.165) 7.451 4.358 ( 0.824 2.049 -3.715) 4.321 4.483 ( 0.783 -2.319 2.563) 3.544 4.571 ( -3.819 3.274 1.522) 5.255 4.610 ( 7.402 -3.390 -1.377) 8.257 4.918 ( -3.873 -2.005 1.239) 4.533 5.005 ( 0.839 -0.418 6.190) 6.260 5.205 ( 0.386 -0.933 -1.747) 2.017 5.304 ( -6.005 2.869 -5.149) 8.414 5.380 ( -0.911 -1.137 -0.368) 1.503 5.508 ( -5.342 6.579 3.420) 9.139 5.597 ( 3.014 5.269 -0.974) 6.148 5.688 ( 0.431 2.909 1.316) 3.222 5.814 ( 0.695 1.214 1.150) 1.811 5.999 ( 1.754 3.594 -3.400) 5.249 6.073 ( 0.908 3.042 0.381) 3.198 6.143 ( 3.535 -4.348 -0.900) 5.676 6.199 ( -2.314 -4.894 -1.736) 5.685 6.303 ( -4.069 9.012 0.361) 9.895 6.324 ( -1.112 -13.135 4.774) 14.019 6.565 ( 1.554 -2.410 -5.691) 6.372 6.680 ( 5.183 1.731 -1.252) 5.606 6.833 ( 4.642 -5.218 2.011) 7.268 6.873 ( 0.875 -2.523 2.408) 3.596 6.978 ( 5.192 -2.059 -0.208) 5.590 7.126 ( 1.857 -4.799 -1.282) 5.303 7.143 ( 0.555 -6.749 2.337) 7.164 7.302 ( 2.810 2.719 1.885) 4.341 7.513 ( 0.500 -1.624 1.542) 2.295 7.527 ( 1.161 0.420 1.743) 2.136 7.643 ( -2.000 1.677 -3.335) 4.235 7.817 ( -1.371 -6.523 -6.100) 9.036 8.074 ( -5.331 -5.200 -2.885) 7.986 8.151 ( 0.810 -11.731 0.831) 11.788 8.520 ( 4.502 3.838 3.659) 6.956 8.677 ( -7.022 1.990 -1.847) 7.529 8.885 ( 1.880 -6.890 1.123) 7.229 9.002 ( 4.293 0.200 3.708) 5.676 9.146 ( -4.937 -0.694 0.035) 4.985 9.256 ( -4.011 1.463 -3.477) 5.506 9.406 ( -0.876 4.609 -4.871) 6.763 9.528 ( -6.203 -4.192 -0.494) 7.503 9.555 ( -1.210 6.177 -7.642) 9.900 9.723 ( 3.535 -0.076 1.053) 3.690 9.819 ( -4.451 1.099 1.776) 4.916 10.034 ( 4.593 -2.595 -0.421) 5.292 10.177 ( -4.180 4.135 2.385) 6.346 10.408 ( 2.761 -1.563 1.742) 3.619 10.489 ( -3.903 -3.668 4.904) 7.262 10.532 ( -5.656 -1.433 3.318) 6.712 10.718 ( 0.558 -2.159 -3.246) 3.938 10.926 ( 4.113 -4.821 1.372) 6.484 11.046 ( -3.565 -0.108 -2.389) 4.293 11.169 ( -1.614 -2.649 3.987) 5.051 11.380 ( 3.481 1.280 -0.688) 3.772 11.532 ( 2.869 -2.542 -0.288) 3.844 11.899 ( 5.023 1.079 0.466) 5.159 12.089 ( -0.858 -3.586 -0.846) 3.783 12.157 ( 0.178 2.008 -2.661) 3.338 12.260 ( 1.084 7.096 4.820) 8.647 12.481 ( -3.278 5.585 -2.449) 6.923 12.628 ( 1.689 0.979 -3.930) 4.388 12.671 ( 0.123 0.297 0.515) 0.608 12.807 ( 2.270 -7.189 -0.300) 7.545 12.999 ( 2.626 1.617 2.335) 3.868 13.103 ( 4.311 1.789 -3.288) 5.709 13.183 ( -0.188 3.597 -0.280) 3.613 13.313 ( -4.902 -5.793 -0.458) 7.602 13.516 ( -0.421 5.084 -1.158) 5.231 13.757 ( -2.936 2.833 2.619) 4.848 13.887 ( -0.202 6.106 0.690) 6.148 14.171 ( 1.471 -7.599 2.671) 8.188 14.537 ( -1.987 5.242 -0.653) 5.644 14.701 ( 1.525 1.794 2.024) 3.105 14.942 ( 0.215 0.348 -1.470) 1.526 15.015 ( -2.756 1.550 0.610) 3.220 15.114 ( 4.580 1.470 -1.767) 5.125 15.318 ( -2.327 2.276 2.873) 4.341 15.376 ( -2.670 4.936 0.685) 5.653 15.527 ( 1.286 -4.006 -5.347) 6.804 15.708 ( -1.156 5.027 -1.160) 5.287 15.976 ( -0.717 -0.780 -2.895) 3.082 16.232 ( 0.147 -1.451 1.423) 2.037 16.301 ( 0.857 -11.995 0.299) 12.029 16.566 ( 2.250 -1.962 4.155) 5.116 16.649 ( -4.099 -4.174 -3.550) 6.843 17.057 ( -0.713 10.391 -0.084) 10.415 17.186 ( 0.036 5.011 0.960) 5.103 17.409 ( -2.158 -4.236 2.432) 5.340 17.574 ( -1.583 -3.521 0.030) 3.861 17.773 ( 14.202 9.708 7.467) 18.754 17.989 ( 3.716 2.720 2.501) 5.241 18.067 ( -2.529 -1.258 -3.196) 4.266 18.173 ( -3.007 -2.864 0.237) 4.159 18.294 ( 4.389 -3.562 4.029) 6.942 18.526 ( 1.670 -7.625 -1.246) 7.905 18.669 ( -2.929 2.833 -2.413) 4.736 18.747 ( -10.092 -5.240 -8.617) 14.267 18.830 ( -2.945 1.385 -5.637) 6.509 19.111 ( -0.813 0.727 -0.554) 1.223 19.267 ( 5.534 -0.592 6.797) 8.785 19.281 ( -3.519 2.700 -6.893) 8.196 19.335 ( 0.122 -5.168 1.819) 5.480 19.573 ( 1.642 -0.011 -1.066) 1.957 19.830 ( 1.973 1.710 0.888) 2.758 19.924 ( -1.172 -1.098 1.613) 2.276 20.033 ( -2.859 5.963 -0.515) 6.633 20.176 ( -0.326 4.680 -0.643) 4.735 20.460 ( 3.797 -3.275 2.544) 5.622 20.599 ( -1.717 6.791 -2.742) 7.523 20.667 ( 0.598 -1.578 1.468) 2.236 21.238 ( 0.847 -3.945 -1.339) 4.251 21.577 ( 2.512 7.674 1.451) 8.204 21.909 ( -0.361 -0.400 0.818) 0.979 21.924 ( -1.060 -5.152 -0.444) 5.279 22.066 ( -1.059 2.893 0.646) 3.148 22.118 ( 0.154 -3.904 0.810) 3.990 22.326 ( 0.127 1.082 0.033) 1.090 22.360 ( -2.250 -2.722 -0.279) 3.543 22.466 ( -0.032 -2.485 2.043) 3.217 23.003 ( 8.540 3.258 8.223) 12.295 23.354 ( 5.287 -11.546 9.041) 15.588 23.759 ( -11.707 14.813 -9.530) 21.149 24.543 ( -3.259 -8.010 -7.018) 11.137 25.150 ( 2.179 13.532 1.517) 13.790 25.422 ( 1.262 0.610 -0.001) 1.401 25.469 ( 0.915 -1.311 0.001) 1.599 25.705 ( 2.128 2.139 2.164) 3.713 25.819 ( -6.991 -2.856 0.009) 7.552 26.105 ( -0.129 -13.937 -3.295) 14.322 26.576 ( 3.783 -1.408 -1.455) 4.291 26.686 ( -0.849 -1.209 0.551) 1.576 26.927 ( -5.826 0.886 -1.130) 6.000 27.048 ( 1.999 -0.575 2.395) 3.172 27.062 ( 1.325 -5.400 1.180) 5.684 27.286 ( 1.690 -7.770 -0.326) 7.959 27.589 ( 10.634 4.337 7.376) 13.649 27.681 ( -0.219 3.176 -5.924) 6.725 27.833 ( -4.790 -0.300 -2.433) 5.381 28.038 ( -6.968 -1.305 -5.836) 9.182 28.259 ( 1.023 -2.986 0.033) 3.156 28.328 ( -3.192 -3.847 -0.689) 5.046 28.409 ( -2.531 4.714 -1.952) 5.696 28.579 ( 4.265 5.139 -1.515) 6.848 28.857 ( 0.188 2.394 1.418) 2.789 28.900 ( -1.421 3.818 -0.520) 4.107 29.075 ( 1.165 -3.766 -2.572) 4.707 29.130 ( 1.289 2.163 1.911) 3.160 29.471 ( 1.543 1.468 0.914) 2.318 29.638 ( 0.422 2.091 -3.435) 4.043 29.737 ( -0.872 -0.460 3.442) 3.580 29.756 ( 1.722 0.276 -0.666) 1.866 30.293 ( 8.672 2.855 -14.588) 17.209 30.502 ( 5.459 -5.377 -1.456) 7.799 30.836 ( -6.547 2.140 -5.664) 8.918 30.927 ( -5.803 -1.144 3.809) 7.035 31.354 ( -2.199 -2.157 4.655) 5.582 31.538 ( -7.308 -7.256 4.512) 11.243 31.808 ( -0.167 6.277 0.977) 6.354 31.956 ( 0.204 1.772 0.209) 1.796 32.141 ( 3.789 1.330 2.102) 4.532 32.235 ( -2.065 0.419 0.253) 2.122 32.562 ( 1.879 -1.494 0.727) 2.508 32.625 ( -3.929 -5.240 5.092) 8.296 32.711 ( 1.220 -0.814 -3.131) 3.457 32.889 ( 0.401 -2.729 2.228) 3.546 33.217 ( 1.397 5.195 -12.233) 13.363 33.493 ( -6.341 -3.063 -7.737) 10.462 33.721 ( 3.216 10.078 11.632) 15.723 34.175 ( -3.500 -8.257 17.812) 19.942 38.333 ( -0.802 3.579 -1.821) 4.095 38.494 ( 1.032 -6.218 -4.310) 7.635 38.617 ( -0.069 1.681 -0.130) 1.687 39.087 ( -0.005 -6.896 -5.627) 8.900 39.530 ( 16.711 10.245 -2.308) 19.737 39.742 ( 9.890 1.846 4.085) 10.859 39.816 ( -3.543 6.450 0.024) 7.359 40.111 ( -2.905 -2.587 7.793) 8.710 40.875 ( -2.215 -3.444 -2.810) 4.966 40.933 ( 2.072 -3.197 1.284) 4.020 41.620 ( -3.050 7.321 -2.872) 8.435 41.750 ( 0.342 7.284 -6.526) 9.786 42.280 ( -0.308 0.875 -1.890) 2.106 42.383 ( -0.117 -2.270 -0.048) 2.273 42.812 ( -8.346 -0.965 15.162) 17.335 43.373 ( 4.244 -13.253 -0.818) 13.940 ======================= Grid point 87 (45/84) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -0.819 22.545 9.405) 24.442 2.216 ( 3.067 25.266 3.256) 25.659 2.555 ( -3.842 -12.009 8.694) 15.315 2.601 ( 3.042 -6.541 2.811) 7.742 2.757 ( -2.531 -6.933 -2.660) 7.845 2.786 ( 4.845 -5.795 -1.005) 7.620 3.157 ( -1.549 4.259 -0.901) 4.621 3.191 ( -2.858 4.342 -2.466) 5.754 3.301 ( -0.205 4.638 4.115) 6.204 3.425 ( 1.487 3.985 -1.195) 4.418 3.518 ( -3.657 -3.949 2.300) 5.853 3.582 ( -5.776 -7.255 -0.419) 9.283 3.623 ( 1.915 4.369 -0.137) 4.772 3.757 ( -2.888 -4.466 -2.627) 5.932 3.882 ( 1.933 6.843 0.727) 7.148 3.983 ( 5.544 9.039 3.335) 11.116 4.060 ( 1.904 -6.949 2.275) 7.556 4.146 ( 0.234 -2.775 0.801) 2.898 4.301 ( 5.163 -0.648 -0.238) 5.209 4.339 ( 3.123 -2.585 -4.104) 5.768 4.567 ( 3.869 3.147 6.003) 7.805 4.634 ( 0.647 -0.667 7.028) 7.090 4.713 ( 2.069 7.267 -0.480) 7.571 4.863 ( -7.219 -2.313 6.435) 9.944 5.027 ( -5.705 5.297 3.903) 8.708 5.192 ( -5.091 -4.357 0.422) 6.714 5.290 ( 4.074 4.930 2.233) 6.774 5.393 ( 5.798 -2.376 -1.454) 6.433 5.602 ( 1.291 4.667 4.890) 6.882 5.660 ( 0.594 -2.847 0.854) 3.031 5.725 ( -0.341 10.756 -2.336) 11.012 5.909 ( -4.021 3.104 -2.660) 5.734 5.947 ( -3.731 -5.965 -6.114) 9.320 6.002 ( -1.016 -4.665 -3.721) 6.053 6.066 ( 6.764 -6.564 -0.307) 9.430 6.096 ( 2.176 -3.311 0.524) 3.997 6.221 ( -3.206 4.411 -3.207) 6.326 6.354 ( -4.887 -7.622 -11.875) 14.933 6.520 ( -0.979 12.132 -2.721) 12.472 6.700 ( 0.685 -4.301 -2.789) 5.172 6.756 ( -0.851 -1.253 -0.457) 1.582 6.784 ( -2.115 -1.472 -3.350) 4.227 6.976 ( -1.309 -0.511 -3.765) 4.019 7.007 ( -3.982 -1.535 -7.174) 8.347 7.189 ( -4.326 -0.592 1.626) 4.659 7.284 ( -7.856 -8.108 -4.921) 12.316 7.435 ( 2.969 -1.870 0.731) 3.584 7.451 ( 8.648 -4.349 0.466) 9.692 7.732 ( 4.922 8.984 7.013) 12.414 7.864 ( 3.443 10.454 3.750) 11.628 7.936 ( 4.581 -12.174 6.816) 14.685 8.046 ( 2.969 -6.247 3.300) 7.663 8.478 ( -1.833 -0.060 -2.308) 2.948 8.550 ( 1.055 -8.044 -1.088) 8.186 8.980 ( -4.851 3.876 -3.849) 7.305 9.022 ( 6.426 0.282 -0.497) 6.452 9.096 ( -6.231 10.197 0.251) 11.953 9.248 ( 3.349 -1.985 -1.313) 4.108 9.414 ( 0.114 -2.938 0.701) 3.023 9.427 ( 0.282 -2.598 -2.681) 3.744 9.585 ( 0.073 4.122 -2.345) 4.743 9.708 ( 1.386 -7.785 -1.433) 8.037 9.885 ( 2.414 7.875 -0.935) 8.289 10.041 ( 3.239 -4.541 -5.907) 8.124 10.166 ( -5.385 5.765 4.374) 9.020 10.279 ( -5.240 -5.025 2.879) 7.810 10.434 ( -3.454 3.485 -0.105) 4.907 10.552 ( 2.165 -6.002 0.735) 6.423 10.703 ( 1.662 1.111 2.239) 3.002 10.771 ( -0.568 -6.984 0.618) 7.035 11.097 ( -0.673 2.957 3.903) 4.943 11.147 ( -1.362 -2.229 4.560) 5.255 11.421 ( 0.431 2.140 -2.011) 2.968 11.467 ( 0.143 -2.829 -2.285) 3.639 12.000 ( 3.170 1.610 0.329) 3.571 12.033 ( 1.820 -2.057 -0.410) 2.777 12.244 ( -2.285 8.129 1.242) 8.535 12.362 ( -4.219 -2.439 2.679) 5.561 12.545 ( 1.263 7.661 -3.916) 8.696 12.640 ( 3.543 -2.576 -3.049) 5.338 12.698 ( -0.357 1.254 0.432) 1.373 12.731 ( -0.132 -2.668 0.500) 2.717 13.015 ( -0.326 -0.127 2.813) 2.835 13.082 ( 0.196 -6.521 1.717) 6.746 13.204 ( 0.989 1.863 -1.363) 2.511 13.231 ( 3.256 -0.663 -0.631) 3.383 13.629 ( -0.652 6.370 -2.465) 6.861 13.710 ( -3.467 -1.754 -3.185) 5.024 14.003 ( 0.341 2.921 1.486) 3.295 14.058 ( -1.542 -3.501 0.176) 3.829 14.614 ( -1.455 3.840 -1.779) 4.476 14.661 ( -3.872 -0.900 -3.481) 5.284 14.949 ( 1.391 -0.338 0.249) 1.453 14.985 ( -0.409 -3.282 0.016) 3.308 15.218 ( 0.963 7.221 -1.927) 7.535 15.304 ( -4.051 0.272 -4.876) 6.345 15.460 ( 5.107 2.403 2.760) 6.283 15.557 ( 4.608 -4.612 1.780) 6.758 15.849 ( 1.184 9.039 0.946) 9.165 15.928 ( -2.387 3.410 -2.912) 5.080 16.053 ( -0.737 -9.005 -0.857) 9.075 16.090 ( -2.346 -6.732 -3.433) 7.912 16.582 ( 2.220 3.907 5.077) 6.781 16.679 ( 4.370 -5.883 8.138) 10.951 17.194 ( -3.964 12.306 -3.785) 13.472 17.322 ( -0.764 1.857 0.607) 2.097 17.394 ( 3.432 -1.868 6.962) 7.983 17.489 ( 1.744 -9.078 5.456) 10.734 17.714 ( -14.602 5.330 -14.674) 21.376 17.786 ( -17.917 -3.125 -20.604) 27.482 18.087 ( 1.440 2.763 -2.327) 3.889 18.153 ( 0.500 -0.505 -0.172) 0.731 18.191 ( -2.223 1.488 -1.913) 3.289 18.309 ( -0.847 -7.827 -3.877) 8.776 18.831 ( 3.963 5.467 2.300) 7.133 18.870 ( 16.173 3.118 14.670) 22.057 18.990 ( 2.862 -1.676 3.795) 5.040 19.069 ( 9.226 -6.382 12.387) 16.711 19.277 ( -0.501 2.082 2.827) 3.546 19.327 ( 0.716 -3.181 5.781) 6.637 19.504 ( 7.474 4.187 6.300) 10.634 19.590 ( 6.316 -3.249 4.501) 8.409 19.888 ( -0.843 0.150 1.289) 1.547 19.896 ( -2.166 -0.816 1.486) 2.751 20.062 ( -2.679 6.859 -6.536) 9.846 20.182 ( -1.240 -4.998 -5.302) 7.391 20.366 ( -3.769 5.466 -4.316) 7.919 20.486 ( -2.226 -6.603 -3.612) 7.849 20.991 ( 5.980 12.922 8.937) 16.811 21.201 ( 6.118 -9.121 7.257) 13.164 21.710 ( -0.580 7.079 -1.169) 7.198 21.832 ( 0.951 -6.092 1.178) 6.278 21.940 ( -0.139 1.483 1.317) 1.988 21.997 ( -2.100 -4.204 -1.145) 4.837 22.134 ( -2.729 4.491 -1.104) 5.370 22.229 ( -3.819 -5.394 -1.980) 6.899 22.388 ( 1.510 2.666 0.240) 3.073 22.422 ( 0.060 -0.811 -0.264) 0.855 22.891 ( -16.342 3.011 -14.688) 22.178 22.964 ( -17.761 -5.404 -15.712) 24.321 24.222 ( 16.698 16.167 16.578) 28.549 24.531 ( 15.565 -15.958 16.516) 27.744 25.325 ( -7.008 12.854 -7.955) 16.662 25.430 ( -0.838 -0.571 -1.024) 1.441 25.465 ( 0.340 1.442 -0.622) 1.607 25.654 ( -6.866 -13.609 -8.032) 17.230 25.823 ( 2.828 1.467 2.849) 4.273 25.846 ( 4.515 -1.875 1.297) 5.058 26.624 ( 3.544 5.286 1.833) 6.623 26.718 ( 4.590 -3.683 4.413) 7.356 26.921 ( 1.707 0.631 1.493) 2.354 26.954 ( 0.199 -3.418 0.255) 3.433 27.039 ( -8.731 2.235 -2.148) 9.265 27.107 ( -6.038 -5.499 -1.067) 8.237 27.566 ( -5.803 4.032 -5.551) 8.986 27.636 ( -5.480 -3.134 -5.882) 8.629 27.921 ( 6.611 4.072 2.720) 8.227 28.017 ( 7.073 -6.047 2.070) 9.533 28.307 ( 5.986 0.954 7.640) 9.753 28.328 ( 3.341 -1.077 4.981) 6.094 28.496 ( 2.394 6.312 -2.820) 7.316 28.609 ( 2.994 -4.591 -2.789) 6.150 28.895 ( -1.070 3.459 0.419) 3.644 28.969 ( -0.058 -3.645 0.088) 3.646 29.034 ( 1.604 5.794 -0.867) 6.074 29.132 ( -0.051 -3.889 -0.552) 3.928 29.525 ( -4.389 2.901 -2.983) 6.048 29.566 ( -3.689 -1.038 -6.325) 7.395 29.748 ( -2.919 1.090 -1.016) 3.277 29.779 ( -4.407 -1.250 -1.518) 4.826 30.003 ( -3.414 4.498 -20.141) 20.918 30.104 ( -6.000 -5.790 -18.592) 20.377 31.088 ( 12.847 2.530 9.746) 16.323 31.130 ( 10.950 -1.945 9.550) 14.659 31.356 ( -4.366 -0.155 6.501) 7.832 31.386 ( -6.434 -3.243 5.752) 9.219 31.944 ( 1.383 4.087 4.085) 5.942 31.993 ( 0.389 -0.758 2.405) 2.551 32.200 ( -0.571 0.683 2.377) 2.539 32.220 ( 1.918 -1.474 2.796) 3.697 32.558 ( -1.323 0.572 0.384) 1.492 32.581 ( -1.928 -1.848 2.132) 3.417 32.765 ( 2.267 3.532 0.901) 4.293 32.848 ( 0.532 -4.607 1.241) 4.801 33.164 ( 0.600 5.396 -14.183) 15.187 33.254 ( -1.012 -4.084 -12.101) 12.812 34.058 ( -1.142 6.360 13.083) 14.592 34.159 ( -4.552 -4.351 11.510) 13.120 38.334 ( -0.381 1.529 -3.017) 3.404 38.369 ( 0.136 -2.315 -3.948) 4.579 38.665 ( 0.017 6.134 -4.912) 7.858 38.821 ( -0.363 -9.464 -8.522) 12.740 39.769 ( 3.439 4.367 -0.592) 5.590 39.820 ( -0.311 -0.483 -2.017) 2.097 39.974 ( -0.684 5.542 7.284) 9.178 40.050 ( -6.372 -1.288 6.443) 9.153 40.885 ( 1.023 1.791 3.450) 4.019 40.957 ( 2.259 -5.564 4.458) 7.479 41.709 ( 1.792 6.292 -0.965) 6.613 41.795 ( 4.068 -2.450 -1.100) 4.874 42.302 ( 1.767 1.742 -0.576) 2.547 42.337 ( 1.093 -1.890 -0.854) 2.345 42.914 ( -4.244 7.089 5.329) 9.832 43.119 ( -1.266 -13.648 -0.486) 13.716 ======================= Grid point 88 (46/84) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 0.440 14.602 6.967) 16.185 2.345 ( 5.506 16.295 4.315) 17.733 2.562 ( -3.798 -5.748 5.114) 8.579 2.704 ( 0.298 -5.105 0.867) 5.186 2.774 ( 3.837 -2.328 2.956) 5.374 2.852 ( 6.033 -0.166 3.501) 6.977 2.993 ( -4.486 6.631 -7.628) 11.058 3.155 ( -3.580 -4.258 -0.645) 5.601 3.297 ( -11.232 0.226 4.563) 12.125 3.338 ( -8.160 -4.701 -2.475) 9.738 3.465 ( -4.450 5.340 0.614) 6.978 3.484 ( -11.727 2.782 4.027) 12.707 3.621 ( -5.257 -2.303 0.484) 5.760 3.678 ( -3.598 -5.954 -2.032) 7.248 3.886 ( -6.166 7.328 4.092) 10.414 4.017 ( -5.787 -4.061 1.316) 7.191 4.078 ( -0.345 1.252 -3.785) 4.002 4.134 ( 1.736 -4.301 0.610) 4.678 4.306 ( 3.234 4.436 -3.973) 6.776 4.365 ( 4.362 -0.980 -2.803) 5.277 4.608 ( -8.741 3.880 -1.319) 9.654 4.751 ( -9.594 2.012 4.663) 10.855 4.791 ( -2.564 -0.598 3.826) 4.644 4.833 ( 13.334 5.447 3.181) 14.750 5.070 ( 0.300 5.306 13.141) 14.175 5.205 ( 1.320 -1.996 6.295) 6.735 5.392 ( 5.798 2.240 1.382) 6.367 5.427 ( 3.311 -0.547 -2.030) 3.922 5.557 ( -8.259 3.602 -4.682) 10.154 5.667 ( 1.663 0.042 -1.732) 2.402 5.711 ( -5.024 4.509 -4.654) 8.199 5.761 ( 7.762 17.265 -0.167) 18.930 5.885 ( -0.418 -6.645 -0.903) 6.719 6.035 ( 3.947 -4.306 -4.540) 7.398 6.079 ( 3.593 -4.412 -4.576) 7.302 6.153 ( 4.372 -13.750 -0.537) 14.438 6.200 ( -4.302 -2.032 2.325) 5.295 6.243 ( 1.816 -4.689 -0.213) 5.033 6.445 ( -0.159 3.548 -2.810) 4.529 6.577 ( -5.844 -7.724 -8.263) 12.732 6.672 ( -4.963 0.212 -3.992) 6.373 6.707 ( -5.917 -1.783 -0.631) 6.212 6.894 ( 3.559 5.417 -1.065) 6.569 7.009 ( 3.245 -5.520 1.251) 6.524 7.127 ( -4.206 -0.055 2.184) 4.739 7.180 ( -4.384 -2.521 2.718) 5.741 7.468 ( 1.983 0.633 -1.660) 2.662 7.530 ( 3.919 -6.463 -4.491) 8.792 7.879 ( 0.765 4.341 -0.013) 4.408 7.943 ( 5.159 0.731 4.992) 7.216 8.059 ( 2.593 3.871 1.243) 4.822 8.194 ( 7.843 -7.882 2.297) 11.354 8.453 ( -0.623 1.411 -0.493) 1.619 8.535 ( -0.244 -6.741 -2.795) 7.301 8.865 ( -2.254 4.831 -0.871) 5.402 8.924 ( -3.705 -0.984 -4.138) 5.641 9.130 ( -0.215 11.368 1.466) 11.464 9.346 ( 5.324 -5.906 0.538) 7.969 9.377 ( 1.185 -0.073 -5.338) 5.468 9.420 ( -1.320 -3.903 -7.700) 8.733 9.544 ( 1.177 4.456 4.094) 6.165 9.699 ( -0.330 -9.100 0.307) 9.111 9.878 ( 2.459 6.064 -5.291) 8.415 10.017 ( 4.068 -5.323 -5.681) 8.784 10.242 ( 1.142 4.111 10.259) 11.111 10.302 ( -0.039 -1.139 5.565) 5.680 10.397 ( -1.800 5.740 1.118) 6.118 10.571 ( 2.613 -9.427 -2.315) 10.052 10.773 ( 4.611 0.453 1.260) 4.802 10.795 ( 3.381 -2.979 0.510) 4.535 11.138 ( -1.548 3.670 5.453) 6.753 11.204 ( -0.834 -3.090 5.364) 6.246 11.382 ( -1.275 2.088 -2.896) 3.791 11.423 ( -0.605 -2.176 -2.923) 3.693 12.000 ( -1.992 2.376 -3.440) 4.632 12.035 ( 0.752 -1.558 -2.693) 3.201 12.219 ( -5.690 7.415 6.110) 11.166 12.297 ( -8.065 0.005 3.265) 8.701 12.536 ( 2.625 6.682 -3.785) 8.115 12.621 ( -0.533 -1.303 -4.060) 4.297 12.706 ( 0.473 -1.088 1.442) 1.867 12.752 ( 1.324 -4.788 1.019) 5.071 13.021 ( -2.711 2.541 1.798) 4.128 13.071 ( -3.848 -3.617 0.158) 5.284 13.221 ( 2.756 3.652 -1.545) 4.829 13.287 ( 4.155 -3.546 -1.205) 5.594 13.612 ( 1.873 2.136 -0.314) 2.858 13.636 ( 0.592 -0.408 -2.706) 2.800 14.010 ( -2.619 1.183 0.482) 2.914 14.049 ( 0.473 -2.270 0.780) 2.447 14.566 ( -1.797 1.419 -1.359) 2.663 14.584 ( -0.151 -0.296 -0.555) 0.647 14.959 ( -0.534 -1.193 -0.401) 1.367 14.988 ( 1.342 -3.714 -0.548) 3.987 15.198 ( -0.809 4.584 -1.505) 4.892 15.214 ( -2.052 3.303 -2.545) 4.647 15.526 ( 0.213 0.959 -0.635) 1.169 15.616 ( 1.768 -6.385 -2.132) 6.960 15.854 ( -0.065 7.366 -1.445) 7.507 15.887 ( 2.150 3.954 -0.097) 4.501 16.051 ( 0.898 -5.566 -0.010) 5.638 16.061 ( 1.338 -7.412 0.762) 7.570 16.711 ( 1.501 5.320 6.112) 8.241 16.780 ( -1.456 0.097 1.816) 2.330 17.159 ( 2.708 7.873 4.213) 9.331 17.308 ( -1.786 -5.865 -1.621) 6.341 17.333 ( -3.560 5.533 -3.963) 7.680 17.405 ( -5.167 -1.466 -5.668) 7.808 17.611 ( 4.509 0.461 7.507) 8.769 17.678 ( 2.096 -4.475 3.374) 5.984 18.006 ( -1.947 0.091 -4.575) 4.973 18.048 ( -5.893 -3.307 -7.291) 9.940 18.195 ( 0.719 1.701 2.142) 2.828 18.257 ( 0.549 -4.823 -1.011) 4.958 18.878 ( 2.465 3.155 0.753) 4.074 18.919 ( -0.727 -0.924 -3.188) 3.397 19.217 ( 0.475 2.028 2.651) 3.371 19.251 ( 2.814 0.309 3.879) 4.803 19.324 ( 0.127 3.785 5.206) 6.437 19.435 ( 2.167 -5.407 3.268) 6.679 19.698 ( 3.504 6.773 4.580) 8.895 19.787 ( -1.419 -2.072 -2.580) 3.601 19.852 ( -1.857 0.020 1.991) 2.723 19.868 ( -1.802 -1.323 2.230) 3.158 19.951 ( -0.739 5.300 -4.117) 6.752 20.089 ( 1.355 -9.112 -3.718) 9.935 20.300 ( 0.626 4.636 0.288) 4.686 20.395 ( -1.166 -5.009 -3.768) 6.376 21.266 ( 9.548 11.615 13.404) 20.143 21.412 ( 2.360 -0.170 1.572) 2.841 21.615 ( -1.484 1.028 1.652) 2.447 21.716 ( -12.150 -6.846 -11.305) 17.952 21.986 ( 1.261 -0.449 3.764) 3.995 21.998 ( 2.924 -1.460 5.188) 6.132 22.072 ( -1.706 0.941 -1.650) 2.553 22.109 ( -3.362 -2.736 -3.314) 5.456 22.417 ( -1.583 1.825 -1.760) 2.989 22.435 ( 1.393 0.735 0.301) 1.604 22.626 ( 0.488 0.253 -1.243) 1.359 22.664 ( 0.290 -3.513 -2.623) 4.394 24.664 ( 13.494 13.663 14.172) 23.867 24.842 ( -1.076 1.627 -2.676) 3.312 25.147 ( 0.550 -1.742 2.852) 3.387 25.336 ( -7.591 -11.852 -8.602) 16.495 25.453 ( -1.112 0.010 -0.240) 1.137 25.480 ( -3.211 -4.715 -3.329) 6.604 25.872 ( 1.727 1.422 -0.929) 2.423 25.899 ( 2.947 -1.002 -1.279) 3.366 26.727 ( -1.648 5.710 5.183) 7.885 26.777 ( -9.131 0.666 -3.332) 9.742 26.896 ( 2.992 3.703 2.005) 5.166 26.963 ( 0.138 -0.131 -0.689) 0.715 26.999 ( 7.180 -4.538 3.320) 9.120 27.042 ( 0.514 -5.079 1.960) 5.469 27.486 ( -0.917 2.802 -0.377) 2.972 27.536 ( -0.916 -2.089 -2.321) 3.255 27.988 ( 2.057 2.987 -0.206) 3.632 28.047 ( 0.171 -2.898 -3.506) 4.552 28.290 ( -1.290 3.319 -4.966) 6.111 28.359 ( -0.771 -2.725 -4.584) 5.388 28.661 ( 2.176 2.994 6.960) 7.883 28.757 ( -0.098 -6.437 5.531) 8.487 28.885 ( -1.170 4.480 -0.967) 4.730 28.971 ( -0.055 -4.291 -0.861) 4.377 29.072 ( -1.103 3.334 0.873) 3.619 29.124 ( -2.767 -1.543 -1.288) 3.420 29.252 ( 1.257 4.504 -8.707) 9.883 29.361 ( 4.907 -6.460 -9.104) 12.194 29.676 ( -4.171 0.679 -0.474) 4.253 29.704 ( -4.105 -1.818 1.535) 4.745 29.889 ( 1.415 4.337 -5.337) 7.021 29.969 ( 2.522 -3.396 -5.344) 6.816 31.206 ( -2.829 1.978 -3.371) 4.825 31.246 ( -0.468 -2.279 -3.249) 3.996 31.457 ( 5.630 0.878 7.471) 9.396 31.486 ( 9.442 -1.643 8.923) 13.094 32.037 ( 0.594 3.319 4.427) 5.565 32.055 ( 0.748 1.381 4.699) 4.954 32.206 ( -2.326 2.247 1.476) 3.555 32.261 ( -0.683 -3.073 1.147) 3.351 32.546 ( -1.169 1.352 2.649) 3.196 32.581 ( -1.804 -2.185 2.681) 3.901 32.805 ( 0.825 1.151 0.761) 1.608 32.858 ( -0.119 -3.778 -0.634) 3.832 33.022 ( 2.333 4.613 -9.802) 11.081 33.107 ( 0.992 -4.309 -11.045) 11.897 34.178 ( -3.896 4.989 10.687) 12.421 34.243 ( -0.258 -1.878 9.857) 10.038 38.283 ( -0.761 2.264 -3.416) 4.168 38.316 ( -0.122 -1.086 -4.033) 4.179 38.621 ( -0.113 1.602 -2.106) 2.649 38.713 ( -0.479 -7.492 -7.295) 10.468 39.732 ( -6.067 5.015 -0.442) 7.883 39.779 ( -2.022 -0.062 -0.260) 2.040 40.027 ( -3.237 8.273 6.454) 10.981 40.113 ( 2.482 -0.824 6.681) 7.174 40.915 ( -2.261 1.309 2.347) 3.512 40.994 ( -1.896 -6.792 0.847) 7.102 41.755 ( 4.373 7.271 -0.272) 8.489 41.864 ( 7.071 -4.248 -2.709) 8.682 42.337 ( 3.748 1.032 -0.584) 3.931 42.353 ( 3.165 -0.716 -1.469) 3.562 42.908 ( -6.420 3.545 6.039) 9.500 43.069 ( -4.318 -12.460 -0.787) 13.211 ======================= Grid point 89 (47/84) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -8.348 17.718 -7.061) 20.820 2.445 ( 0.544 8.637 4.041) 9.551 2.503 ( -9.836 -3.453 -0.683) 10.447 2.646 ( -1.385 0.195 -3.198) 3.490 2.791 ( 2.481 11.095 -8.685) 14.307 2.890 ( -2.881 -2.114 0.449) 3.601 2.953 ( -20.541 -4.846 0.865) 21.122 3.085 ( -2.283 -10.320 -1.782) 10.718 3.183 ( 1.753 3.467 9.777) 10.520 3.235 ( -4.090 4.084 5.807) 8.193 3.359 ( -9.969 -1.033 3.471) 10.606 3.402 ( -5.551 0.414 0.912) 5.641 3.523 ( -7.447 -1.267 1.907) 7.791 3.624 ( -1.597 -7.030 0.143) 7.210 3.822 ( -7.738 1.848 2.526) 8.347 3.907 ( -9.044 -7.036 -0.023) 11.459 4.068 ( 3.425 3.914 -1.714) 5.476 4.137 ( 2.755 -3.071 -5.501) 6.877 4.334 ( 4.178 5.062 -0.950) 6.632 4.380 ( 1.571 4.279 -1.484) 4.794 4.459 ( -4.585 0.368 -3.934) 6.052 4.582 ( -8.431 -6.431 0.385) 10.611 4.862 ( 0.075 6.874 5.633) 8.888 4.955 ( 0.362 0.688 2.809) 2.915 5.265 ( -1.978 5.798 -4.370) 7.526 5.308 ( 2.726 6.366 11.211) 13.177 5.366 ( -7.809 -5.688 -2.591) 10.002 5.433 ( 5.592 -2.054 7.671) 9.712 5.585 ( 9.776 4.750 -1.374) 10.955 5.638 ( 8.089 2.018 -6.294) 10.446 5.738 ( 4.819 8.709 3.322) 10.493 5.834 ( 0.535 9.709 -0.666) 9.747 5.900 ( 1.027 -5.112 2.109) 5.625 5.969 ( 2.394 -3.599 -10.917) 11.741 6.106 ( 7.391 -1.325 -3.320) 8.210 6.132 ( -4.755 1.589 3.082) 5.885 6.231 ( 0.406 -10.826 -3.055) 11.256 6.256 ( 1.348 -15.208 5.112) 16.101 6.452 ( -2.818 0.043 0.595) 2.880 6.495 ( 0.925 -1.650 0.191) 1.901 6.585 ( -3.244 -1.943 2.921) 4.778 6.614 ( -5.535 -1.882 0.623) 5.879 6.963 ( 0.716 6.525 -0.288) 6.570 7.045 ( 1.887 -1.421 -0.177) 2.369 7.180 ( 2.093 1.002 6.273) 6.688 7.227 ( 4.223 -3.923 7.556) 9.503 7.420 ( -4.855 -1.893 -7.251) 8.929 7.444 ( -3.657 -4.908 -4.342) 7.504 7.846 ( -1.382 4.463 -5.668) 7.346 7.919 ( -3.537 -2.737 -5.725) 7.265 8.078 ( -0.140 7.685 -3.379) 8.396 8.240 ( 1.015 -7.914 -2.665) 8.412 8.490 ( 4.955 -0.574 2.905) 5.772 8.546 ( 5.739 -6.448 0.855) 8.674 8.889 ( -0.835 0.948 1.052) 1.644 8.909 ( 1.418 -0.002 1.653) 2.178 9.089 ( -0.234 13.403 -1.447) 13.483 9.267 ( -3.357 -0.238 -5.538) 6.480 9.340 ( 0.550 -4.478 -0.656) 4.559 9.413 ( 2.304 -4.680 0.947) 5.302 9.644 ( 2.786 1.421 2.261) 3.859 9.714 ( 0.318 -5.323 1.186) 5.462 9.845 ( 0.888 7.050 -4.366) 8.340 9.984 ( -1.177 -7.103 -4.326) 8.400 10.351 ( 1.885 6.757 2.350) 7.398 10.376 ( -0.397 0.523 4.876) 4.920 10.436 ( 4.486 5.425 2.659) 7.525 10.611 ( 5.599 -9.213 -0.155) 10.782 10.853 ( 5.881 1.885 -0.093) 6.177 10.900 ( 8.801 -2.858 1.233) 9.335 11.194 ( -0.455 1.713 5.555) 5.831 11.231 ( -1.422 -1.872 3.156) 3.935 11.323 ( -1.940 4.050 -2.124) 4.967 11.400 ( -0.218 -3.838 -1.428) 4.101 11.882 ( -6.144 5.695 -4.145) 9.347 11.982 ( -1.720 -4.617 -3.873) 6.267 12.221 ( -4.737 4.064 2.767) 6.827 12.250 ( -5.158 1.026 6.639) 8.469 12.491 ( -2.772 2.462 -2.761) 4.622 12.540 ( -3.749 -2.043 -3.334) 5.418 12.751 ( 2.303 1.058 0.727) 2.637 12.773 ( 2.008 -0.440 -0.556) 2.130 12.986 ( -4.643 0.714 -0.732) 4.754 13.006 ( -2.650 0.195 0.296) 2.674 13.221 ( 0.110 4.295 -1.523) 4.558 13.298 ( 1.462 -3.133 -2.271) 4.137 13.654 ( 5.071 1.758 -1.466) 5.564 13.698 ( 5.335 -2.079 3.029) 6.478 13.969 ( -3.307 1.998 1.053) 4.005 14.059 ( -0.616 -6.757 0.673) 6.819 14.582 ( 2.256 3.396 2.620) 4.847 14.633 ( 3.544 -1.620 3.385) 5.161 14.936 ( -0.787 1.187 -1.098) 1.799 14.997 ( 0.186 -4.026 -0.067) 4.031 15.165 ( -1.014 2.486 -0.726) 2.781 15.181 ( -0.322 2.962 0.038) 2.980 15.442 ( -5.997 -0.808 -3.962) 7.233 15.534 ( -3.962 -7.692 -6.305) 10.706 15.877 ( 1.479 9.805 1.326) 10.004 15.965 ( 5.444 7.086 1.424) 9.049 16.068 ( 0.805 -8.144 -0.338) 8.191 16.105 ( 4.117 -6.595 1.332) 7.888 16.665 ( -4.556 5.919 -2.658) 7.929 16.762 ( -4.234 -3.124 -1.598) 5.499 17.208 ( 2.446 8.894 0.823) 9.261 17.337 ( 0.108 -1.780 1.788) 2.525 17.446 ( 12.817 6.476 15.026) 20.785 17.554 ( 7.633 -2.473 7.501) 10.984 17.600 ( -2.904 1.526 -3.721) 4.960 17.700 ( 2.935 -8.258 1.623) 8.913 17.938 ( -0.801 -0.629 -0.148) 1.029 18.000 ( -0.419 -6.245 2.137) 6.614 18.232 ( 2.302 2.417 1.286) 3.577 18.290 ( 1.878 -3.632 1.036) 4.219 18.871 ( -1.198 3.391 -3.378) 4.934 18.919 ( 0.513 -1.552 -1.094) 1.967 19.110 ( -8.747 6.506 -8.620) 13.897 19.219 ( -6.924 -4.162 -6.358) 10.281 19.372 ( -3.186 3.506 -2.600) 5.404 19.389 ( -3.482 -0.020 -2.800) 4.468 19.513 ( -9.376 1.251 -6.312) 11.372 19.574 ( -9.731 -3.627 -4.617) 11.365 19.859 ( -1.890 2.003 0.468) 2.794 19.898 ( -0.161 -1.105 1.881) 2.188 19.995 ( 4.203 4.204 2.059) 6.292 20.115 ( 2.827 -7.009 -1.423) 7.691 20.373 ( 3.760 2.181 2.804) 5.173 20.420 ( 3.639 -2.974 2.711) 5.426 21.140 ( -11.021 9.869 -10.027) 17.872 21.303 ( -11.420 -7.478 -10.597) 17.281 21.613 ( 4.717 10.834 7.318) 13.899 21.797 ( 3.722 -8.454 4.311) 10.194 22.010 ( -0.862 1.317 -1.441) 2.134 22.044 ( 1.018 -1.640 1.005) 2.176 22.139 ( 5.406 3.235 5.140) 8.130 22.245 ( 10.741 -7.201 10.085) 16.399 22.375 ( 0.107 3.377 -0.953) 3.510 22.431 ( 0.765 -1.996 -0.319) 2.162 22.812 ( 13.684 4.340 12.095) 18.772 22.903 ( 17.428 -4.878 15.238) 23.659 24.477 ( -16.875 15.746 -20.631) 30.957 24.720 ( -13.603 -7.755 -14.260) 21.178 25.207 ( 4.993 4.780 6.273) 9.334 25.368 ( 4.015 -6.963 6.480) 10.324 25.432 ( -1.728 -0.489 -0.412) 1.843 25.456 ( 1.591 -6.684 4.179) 8.042 25.856 ( -0.421 1.644 -2.953) 3.406 25.898 ( 0.426 -2.666 -2.578) 3.733 26.584 ( -7.078 2.247 -4.130) 8.498 26.636 ( -7.678 -3.032 -2.011) 8.497 26.952 ( 0.351 4.428 -0.196) 4.446 27.027 ( 4.436 -1.924 0.158) 4.838 27.120 ( 5.177 6.896 6.637) 10.881 27.228 ( 8.816 -3.002 6.737) 11.494 27.504 ( 0.628 2.194 2.082) 3.089 27.555 ( 3.839 -2.872 2.853) 5.579 27.975 ( -1.003 1.955 -5.161) 5.609 28.000 ( 0.262 -0.573 -1.058) 1.231 28.248 ( -0.727 1.092 -0.378) 1.365 28.310 ( 0.389 -3.900 -1.446) 4.177 28.454 ( -13.356 0.702 -11.416) 17.584 28.517 ( -15.548 -5.692 -12.881) 20.978 28.873 ( -0.927 4.088 1.442) 4.433 28.919 ( -2.497 -0.081 -0.173) 2.505 29.076 ( 1.744 1.472 0.007) 2.282 29.110 ( 1.936 -1.804 1.619) 3.102 29.467 ( 9.359 4.899 6.654) 12.485 29.574 ( 5.891 -5.454 1.106) 8.104 29.647 ( 4.299 3.949 4.700) 7.494 29.726 ( 3.037 -2.925 5.834) 7.198 29.866 ( 4.722 -0.052 0.764) 4.783 29.935 ( -0.073 -4.167 -2.829) 5.037 31.088 ( -4.553 3.311 -5.550) 7.906 31.139 ( -3.947 -2.303 -5.029) 6.795 31.653 ( 9.905 2.630 3.474) 10.821 31.705 ( 9.235 -2.324 2.769) 9.918 32.018 ( -4.513 3.983 -1.327) 6.164 32.053 ( -3.612 1.673 -1.363) 4.208 32.187 ( -2.994 0.338 1.110) 3.211 32.237 ( -2.531 -3.552 -0.051) 4.362 32.601 ( 0.146 0.565 5.025) 5.059 32.606 ( -0.423 -0.157 3.440) 3.469 32.764 ( -0.674 3.589 -4.822) 6.049 32.858 ( 1.639 -6.083 -2.140) 6.653 33.005 ( 2.631 0.096 -1.243) 2.912 33.031 ( 2.133 -2.085 -2.643) 3.985 34.229 ( -2.264 9.319 5.048) 10.838 34.371 ( 1.867 -6.173 6.712) 9.308 38.239 ( -0.785 2.631 -1.283) 3.030 38.277 ( -0.011 -1.025 -1.678) 1.967 38.607 ( -0.513 -1.780 0.660) 1.966 38.635 ( -0.545 -4.858 -3.809) 6.197 39.645 ( -5.674 6.891 0.263) 8.931 39.737 ( -3.672 -2.720 0.448) 4.592 40.069 ( 0.060 12.540 3.163) 12.933 40.220 ( 1.884 -3.132 4.248) 5.604 40.884 ( -3.585 0.322 0.069) 3.600 40.950 ( -2.612 -6.633 -1.451) 7.275 41.801 ( 3.395 7.422 -1.634) 8.324 41.907 ( 4.929 -3.913 -3.894) 7.401 42.380 ( 5.053 1.213 -3.015) 6.008 42.397 ( 4.647 -0.505 -0.928) 4.766 42.881 ( -7.980 0.687 6.427) 10.270 42.988 ( -5.820 -9.935 0.182) 11.516 ======================= Grid point 90 (48/84) ======================= q-point: ( 0.38 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -10.808 21.812 -5.964) 25.063 2.292 ( -12.456 -12.311 -3.363) 17.833 2.461 ( -3.384 6.054 3.504) 7.770 2.538 ( -10.318 -0.533 -1.053) 10.385 2.747 ( 2.716 4.829 -2.685) 6.156 2.787 ( -2.197 11.345 1.952) 11.720 2.830 ( -3.931 -4.113 2.825) 6.352 3.059 ( 0.778 -11.290 -1.108) 11.371 3.136 ( -5.501 2.816 -5.583) 8.328 3.262 ( -7.384 -4.811 -2.842) 9.260 3.383 ( 1.740 1.508 2.395) 3.322 3.403 ( 3.605 3.025 2.935) 5.546 3.498 ( -3.789 2.921 4.027) 6.254 3.622 ( -1.380 -8.549 1.713) 8.828 3.717 ( -7.716 0.880 0.749) 7.802 3.785 ( -7.280 -7.810 1.798) 10.828 4.114 ( 4.326 2.829 -1.857) 5.493 4.148 ( 5.023 -1.651 -0.067) 5.287 4.350 ( 1.778 9.498 -2.413) 9.959 4.372 ( 0.992 5.122 -1.866) 5.541 4.415 ( 1.162 -3.571 -2.097) 4.301 4.518 ( -3.939 -5.392 1.380) 6.819 4.897 ( -1.881 2.007 -1.923) 3.356 4.967 ( -3.080 -1.522 3.837) 5.150 5.153 ( -2.378 2.517 -2.480) 4.259 5.248 ( -2.917 -4.732 -0.745) 5.608 5.472 ( 4.544 10.908 4.704) 12.719 5.563 ( -2.440 1.644 3.576) 4.631 5.639 ( 7.021 8.443 -7.103) 13.078 5.686 ( 7.152 4.197 -3.502) 9.002 5.787 ( 1.454 1.140 -5.803) 6.091 5.891 ( 1.211 -4.073 -6.248) 7.556 5.901 ( 5.484 -1.418 3.407) 6.610 5.954 ( -0.069 -1.759 4.353) 4.695 6.094 ( -3.420 4.557 -1.982) 6.033 6.201 ( 9.865 -0.289 -0.833) 9.905 6.236 ( 0.949 -9.348 3.054) 9.880 6.280 ( -3.838 -9.557 1.315) 10.382 6.429 ( -3.158 2.266 4.489) 5.938 6.498 ( -1.398 -0.619 0.487) 1.604 6.549 ( -5.781 -1.564 1.848) 6.267 6.608 ( -1.967 -4.797 2.424) 5.723 6.946 ( -2.059 0.899 -0.383) 2.279 6.986 ( -3.233 -3.751 -4.883) 6.955 7.211 ( -2.116 5.024 -0.858) 5.519 7.340 ( -2.303 -6.095 0.962) 6.586 7.363 ( 1.432 0.370 0.658) 1.619 7.427 ( 4.509 -5.443 5.778) 9.130 7.709 ( -1.369 5.292 -4.035) 6.794 7.830 ( -1.093 -6.673 -2.780) 7.311 8.035 ( 2.617 12.008 -2.918) 12.632 8.230 ( 1.736 -7.445 -1.337) 7.760 8.620 ( 2.107 -1.180 5.417) 5.931 8.678 ( 5.145 -7.371 4.919) 10.247 8.846 ( 1.694 3.978 -4.728) 6.407 8.904 ( -0.286 -3.611 0.008) 3.623 9.168 ( 2.432 6.732 4.741) 8.585 9.198 ( -1.598 10.777 0.224) 10.897 9.372 ( 0.789 -6.121 1.431) 6.336 9.451 ( 0.644 -5.308 1.946) 5.691 9.670 ( 0.352 1.804 -0.342) 1.869 9.718 ( 0.635 -3.621 -0.092) 3.678 9.804 ( -1.160 4.744 -0.150) 4.886 9.917 ( -1.811 -6.555 -0.451) 6.815 10.372 ( -0.586 2.297 -1.516) 2.814 10.385 ( -1.009 0.712 0.529) 1.344 10.569 ( 6.667 8.276 1.504) 10.734 10.673 ( 2.358 -3.883 -0.935) 4.638 10.931 ( 4.368 5.766 0.361) 7.243 11.042 ( 8.843 -3.830 -0.825) 9.672 11.217 ( -2.029 1.456 -0.394) 2.528 11.270 ( 0.081 -2.547 1.755) 3.094 11.283 ( -0.808 3.952 -0.466) 4.061 11.360 ( -2.331 -3.748 -1.057) 4.539 11.759 ( -3.829 7.053 -2.731) 8.477 11.912 ( -0.490 -7.911 -4.194) 8.967 12.184 ( -3.341 2.607 2.884) 5.126 12.256 ( -4.763 -3.447 4.236) 7.246 12.416 ( -2.854 1.767 -1.372) 3.627 12.455 ( -2.826 -1.605 -1.617) 3.630 12.765 ( 1.858 2.987 -0.595) 3.567 12.813 ( 1.748 -1.685 -0.208) 2.436 12.917 ( -2.172 3.914 -0.196) 4.481 12.986 ( -1.417 -0.746 0.226) 1.617 13.208 ( -0.395 5.826 0.456) 5.857 13.298 ( 1.702 -2.649 -1.100) 3.335 13.712 ( 4.950 4.131 -0.969) 6.519 13.794 ( 2.319 -2.344 2.056) 3.886 13.945 ( -3.083 1.456 1.773) 3.843 14.054 ( -1.247 -9.719 0.881) 9.838 14.646 ( 1.407 3.984 1.261) 4.409 14.710 ( 1.052 -2.675 0.697) 2.958 14.933 ( 0.853 3.901 1.180) 4.164 14.989 ( -1.164 -0.765 0.434) 1.459 15.161 ( 0.574 0.431 -1.026) 1.252 15.206 ( 0.232 3.286 4.034) 5.208 15.324 ( -4.034 -4.703 -1.185) 6.308 15.419 ( -1.608 -7.591 -0.972) 7.820 15.884 ( -0.015 11.781 -1.578) 11.886 16.040 ( 3.008 10.359 0.813) 10.818 16.076 ( 0.698 -8.767 0.267) 8.798 16.199 ( 3.744 -6.752 1.207) 7.814 16.610 ( -0.179 0.567 -0.608) 0.851 16.646 ( -3.663 -3.090 -3.846) 6.144 17.283 ( 2.905 7.068 1.779) 7.846 17.332 ( -2.535 1.867 -2.119) 3.795 17.461 ( -0.329 -0.671 -2.576) 2.682 17.584 ( 0.299 -7.773 -2.169) 8.076 17.803 ( 3.056 11.053 7.030) 13.451 17.934 ( -0.659 -0.347 2.448) 2.559 18.071 ( 9.883 -6.936 11.114) 16.410 18.082 ( 6.564 -4.173 7.459) 10.777 18.228 ( -1.232 -1.053 -2.724) 3.170 18.269 ( -3.855 -3.839 -4.484) 7.050 18.661 ( -5.521 4.476 -6.746) 9.800 18.739 ( -6.136 -2.975 -7.391) 10.056 18.988 ( -0.625 5.117 -1.372) 5.334 19.073 ( 0.213 -3.228 -0.255) 3.245 19.273 ( -1.913 6.824 -0.090) 7.088 19.343 ( -2.418 -0.563 -2.490) 3.516 19.405 ( -1.630 0.677 -2.161) 2.790 19.464 ( -2.704 -5.316 -2.134) 6.334 19.843 ( -0.783 4.042 0.242) 4.124 19.914 ( -0.424 -2.082 0.879) 2.300 20.057 ( 1.249 2.259 1.942) 3.230 20.150 ( 1.410 -5.935 3.002) 6.799 20.435 ( 1.373 2.105 -0.133) 2.516 20.478 ( 0.454 -2.618 0.562) 2.716 20.951 ( -2.845 9.363 -3.321) 10.334 21.104 ( -3.221 -7.029 -2.602) 8.158 21.695 ( 0.557 8.239 0.606) 8.280 21.837 ( 0.550 -6.862 -0.074) 6.884 21.991 ( 0.120 2.668 -0.885) 2.813 22.055 ( 0.415 -3.893 -0.546) 3.953 22.249 ( 2.284 7.042 0.775) 7.443 22.374 ( 1.923 -3.519 -0.452) 4.036 22.396 ( 1.091 2.360 0.768) 2.712 22.487 ( 2.523 -6.547 0.564) 7.039 23.171 ( 6.546 8.631 5.006) 11.933 23.349 ( 9.489 -9.634 6.379) 14.952 24.062 ( -4.174 13.599 -6.008) 15.442 24.276 ( -10.125 -9.251 -9.145) 16.484 25.356 ( 1.130 10.282 2.439) 10.627 25.400 ( -0.037 1.169 1.129) 1.626 25.404 ( -1.126 -0.637 -0.336) 1.337 25.575 ( -0.192 -10.456 3.902) 11.162 25.809 ( 0.028 0.934 -0.862) 1.271 25.877 ( 0.716 -6.008 -0.204) 6.054 26.496 ( -1.251 0.872 -0.453) 1.590 26.537 ( -3.593 -3.615 -0.190) 5.100 26.976 ( 1.556 4.408 0.963) 4.773 27.045 ( 1.366 -3.481 -0.928) 3.853 27.222 ( 0.450 10.655 0.133) 10.666 27.353 ( 2.145 -1.462 -1.148) 2.838 27.530 ( -1.078 6.190 1.406) 6.439 27.660 ( 1.194 -5.043 1.407) 5.370 27.950 ( 3.440 0.519 -0.539) 3.520 27.998 ( 5.410 -4.806 1.733) 7.441 28.178 ( -6.430 1.383 -2.871) 7.176 28.218 ( -6.177 -3.323 -3.835) 7.994 28.279 ( -0.290 1.750 2.629) 3.172 28.363 ( -0.097 -5.050 4.559) 6.805 28.874 ( -1.229 2.947 1.190) 3.407 28.888 ( -1.877 1.240 0.298) 2.269 29.088 ( 0.797 2.256 -1.266) 2.707 29.145 ( 0.524 -3.775 -0.457) 3.839 29.556 ( 1.477 4.589 1.259) 4.982 29.611 ( 2.316 -1.564 1.073) 2.993 29.669 ( -1.515 2.610 -0.644) 3.086 29.761 ( -3.455 -5.781 -2.260) 7.103 30.005 ( 4.400 3.486 4.762) 7.361 30.082 ( 4.803 -4.796 5.947) 9.024 30.970 ( -0.868 6.084 -2.370) 6.587 31.075 ( 1.119 -4.693 -1.078) 4.944 31.779 ( 6.745 1.273 -3.086) 7.526 31.809 ( 6.222 -1.430 -2.528) 6.866 31.957 ( -1.932 2.309 -0.047) 3.011 31.976 ( -4.099 1.239 -2.029) 4.738 32.138 ( -3.098 1.318 -0.922) 3.491 32.197 ( -2.296 -4.181 -0.006) 4.770 32.619 ( -1.652 2.394 0.019) 2.909 32.634 ( -0.907 1.130 1.666) 2.208 32.723 ( 0.798 2.262 -2.536) 3.491 32.834 ( 1.884 -9.391 -4.940) 10.777 33.050 ( 2.299 2.122 3.898) 4.998 33.095 ( 1.093 -2.526 6.795) 7.331 34.218 ( -1.976 12.137 -2.841) 12.621 34.418 ( -0.762 -9.711 -1.749) 9.896 38.236 ( -0.353 2.749 2.188) 3.531 38.276 ( 0.201 -1.233 1.286) 1.793 38.600 ( -0.215 -1.410 0.106) 1.431 38.636 ( 0.015 -4.708 4.081) 6.231 39.568 ( -3.797 7.843 -2.073) 8.957 39.683 ( -2.945 -3.891 -1.670) 5.157 40.090 ( 0.118 12.767 -0.381) 12.773 40.250 ( -0.639 -3.625 -1.182) 3.866 40.836 ( -1.655 0.192 -0.748) 1.826 40.905 ( -0.553 -7.149 -1.414) 7.308 41.820 ( 2.531 7.599 -1.675) 8.183 41.929 ( 3.598 -4.144 -1.867) 5.796 42.411 ( 5.538 2.378 -4.417) 7.472 42.447 ( 4.133 -1.261 -1.734) 4.656 42.842 ( -8.279 0.170 6.418) 10.477 42.922 ( -4.751 -7.878 2.073) 9.430 ======================= Grid point 91 (49/84) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 15.587 11.156 10.642) 21.924 2.265 ( 9.174 -12.214 6.210) 16.490 2.441 ( -3.109 7.616 1.183) 8.311 2.497 ( 1.193 3.295 6.583) 7.458 2.744 ( -6.119 2.916 0.671) 6.811 2.774 ( 2.131 1.883 -1.247) 3.106 2.850 ( 4.751 10.933 -3.350) 12.383 2.999 ( -3.054 1.251 -1.974) 3.845 3.085 ( 4.062 -11.045 -4.376) 12.555 3.118 ( -4.927 -8.496 -3.963) 10.591 3.309 ( -7.216 0.988 -5.071) 8.875 3.336 ( -9.832 0.196 -5.927) 11.482 3.498 ( -0.242 4.603 2.388) 5.191 3.612 ( 0.251 -2.126 -0.023) 2.141 3.691 ( 0.306 -3.479 1.842) 3.949 3.787 ( 0.006 -8.547 4.331) 9.581 4.128 ( -0.107 5.379 -1.226) 5.518 4.204 ( 1.215 -3.109 -1.308) 3.586 4.347 ( 2.072 1.414 -3.440) 4.258 4.394 ( 0.126 3.643 -0.248) 3.654 4.410 ( 5.738 2.063 -0.577) 6.125 4.499 ( -0.833 -2.661 2.671) 3.861 4.767 ( -5.092 7.284 -6.555) 11.043 4.962 ( -2.547 -6.182 1.280) 6.808 5.139 ( 1.799 0.215 -2.584) 3.156 5.226 ( -1.147 -5.103 -1.185) 5.362 5.469 ( -5.069 5.276 -4.227) 8.450 5.565 ( -0.639 7.326 4.554) 8.650 5.615 ( 1.963 -2.128 -9.956) 10.369 5.720 ( 2.775 6.966 -4.519) 8.755 5.781 ( 6.357 3.930 0.161) 7.476 5.820 ( 0.550 -10.189 -6.628) 12.168 5.909 ( -8.113 3.769 -0.560) 8.963 5.979 ( -1.357 0.451 4.733) 4.945 6.040 ( -1.697 -3.102 -0.002) 3.535 6.149 ( -5.021 -9.338 -4.893) 11.677 6.333 ( 6.320 2.920 0.620) 6.990 6.392 ( 5.929 -1.413 7.233) 9.459 6.426 ( 0.321 5.529 0.279) 5.546 6.478 ( -1.217 2.434 -0.282) 2.736 6.539 ( -0.655 -2.341 5.835) 6.321 6.599 ( -3.814 -5.843 3.908) 7.997 6.870 ( -0.805 0.268 -5.180) 5.249 6.914 ( 1.106 -3.053 -4.209) 5.316 7.233 ( -4.583 1.573 -4.208) 6.417 7.282 ( -6.698 -2.114 -7.710) 10.430 7.394 ( 3.578 -1.230 6.596) 7.604 7.435 ( 3.985 -6.521 8.112) 11.144 7.838 ( 7.804 3.134 5.878) 10.260 7.903 ( 5.956 -3.615 5.722) 9.015 8.069 ( 3.379 10.686 1.009) 11.252 8.248 ( 0.671 -7.599 0.744) 7.665 8.627 ( -4.962 2.699 1.807) 5.930 8.741 ( -4.563 -6.825 0.810) 8.250 8.837 ( 2.232 4.617 -1.987) 5.500 8.922 ( 0.212 -2.688 -1.674) 3.173 9.208 ( 0.285 10.568 5.489) 11.912 9.253 ( 1.182 3.947 4.683) 6.238 9.382 ( 0.171 -3.319 2.549) 4.189 9.484 ( -0.377 -7.070 3.566) 7.927 9.686 ( 0.269 1.782 1.853) 2.585 9.737 ( -2.245 -2.827 1.428) 3.883 9.859 ( 5.797 1.821 4.520) 7.573 9.935 ( 2.941 -5.512 2.287) 6.653 10.316 ( -1.636 2.376 -4.949) 5.728 10.332 ( -3.460 -0.212 -5.725) 6.693 10.555 ( -4.616 8.802 -2.433) 10.232 10.698 ( 0.605 -5.160 -0.689) 5.241 10.987 ( 2.139 7.730 1.453) 8.151 11.082 ( -1.983 0.231 -1.411) 2.445 11.166 ( -1.782 1.058 -2.320) 3.110 11.232 ( -3.935 1.278 -4.090) 5.817 11.245 ( -1.622 0.196 -2.135) 2.689 11.339 ( 2.022 -6.221 -0.495) 6.560 11.730 ( 3.222 6.252 -1.106) 7.120 11.881 ( 4.310 -8.167 -4.408) 10.232 12.199 ( -3.085 -0.533 4.784) 5.718 12.225 ( -5.417 -2.881 2.790) 6.740 12.405 ( 3.644 0.965 -0.602) 3.817 12.437 ( 2.936 -1.718 -0.633) 3.460 12.790 ( 0.262 1.589 0.138) 1.616 12.814 ( 0.065 -0.588 -0.091) 0.598 12.920 ( 0.929 3.124 0.851) 3.369 12.971 ( -0.107 -0.623 -0.232) 0.673 13.229 ( 0.326 6.379 2.900) 7.015 13.321 ( 1.847 -2.252 0.552) 2.964 13.762 ( 2.438 2.893 -1.119) 3.945 13.804 ( -2.414 -0.555 -0.509) 2.529 13.915 ( -2.930 3.037 1.862) 4.613 14.052 ( -0.521 -9.097 1.335) 9.209 14.624 ( -3.070 3.346 -2.383) 5.128 14.669 ( -2.829 -1.284 -3.097) 4.387 14.964 ( -0.326 2.782 2.221) 3.574 14.999 ( 0.780 0.224 1.972) 2.132 15.138 ( 0.260 1.793 -0.852) 2.002 15.217 ( -2.889 -6.079 -1.133) 6.825 15.375 ( 5.695 5.371 8.532) 11.579 15.521 ( 5.390 -7.991 8.285) 12.710 15.867 ( 0.755 11.158 -1.186) 11.247 16.053 ( -2.605 2.393 -2.563) 4.368 16.087 ( 0.971 -4.416 1.019) 4.634 16.188 ( -2.881 -5.779 -2.585) 6.956 16.587 ( 1.586 1.981 -0.755) 2.647 16.660 ( 3.471 -4.998 0.511) 6.106 17.254 ( -2.492 5.881 -2.607) 6.899 17.298 ( -0.150 2.324 -1.866) 2.984 17.502 ( 2.210 -0.374 -1.579) 2.742 17.558 ( -3.850 -1.061 -5.206) 6.561 17.636 ( -7.328 6.762 -5.896) 11.584 17.836 ( -15.807 -11.098 -15.062) 24.493 17.959 ( -1.869 1.461 -0.010) 2.372 18.018 ( -0.746 -4.635 3.172) 5.666 18.255 ( -1.312 0.999 -2.022) 2.609 18.299 ( -0.398 -3.587 -1.242) 3.817 18.871 ( 8.521 3.328 11.195) 14.457 18.933 ( 8.524 -2.664 10.073) 13.461 19.014 ( 5.563 6.060 4.464) 9.359 19.103 ( 6.233 -3.209 4.826) 8.511 19.284 ( 1.707 4.275 -2.501) 5.239 19.327 ( 4.296 1.481 4.437) 6.351 19.385 ( 3.235 -0.844 0.464) 3.375 19.444 ( 2.532 -5.079 2.082) 6.045 19.842 ( -0.052 2.631 0.516) 2.682 19.899 ( -1.374 -2.880 -1.021) 3.351 20.092 ( -1.493 5.550 3.450) 6.703 20.213 ( -0.138 -5.851 4.431) 7.341 20.392 ( -2.581 2.425 -5.003) 6.129 20.445 ( -2.026 -3.136 -3.350) 5.016 20.988 ( 7.281 10.197 4.416) 13.285 21.159 ( 7.747 -7.791 6.584) 12.809 21.649 ( -4.609 10.650 -4.992) 12.633 21.826 ( -1.390 -8.009 -1.599) 8.284 21.991 ( 0.929 2.013 -0.497) 2.272 22.041 ( -0.718 -3.017 -2.011) 3.697 22.196 ( -5.236 6.096 -6.646) 10.428 22.332 ( -5.839 -6.867 -9.056) 12.777 22.409 ( 0.031 2.302 1.320) 2.654 22.461 ( -0.977 -2.523 -0.700) 2.794 22.937 ( -12.286 5.890 -15.784) 20.851 23.078 ( -16.736 -8.450 -20.850) 28.039 24.334 ( 17.575 12.967 19.379) 29.199 24.529 ( 19.068 -8.088 18.805) 27.975 25.277 ( -7.202 10.684 -5.841) 14.147 25.380 ( -1.310 -0.902 -1.285) 2.045 25.411 ( -0.134 0.195 0.448) 0.507 25.491 ( -7.074 -7.541 -4.810) 11.404 25.886 ( 3.641 -1.783 5.563) 6.884 25.928 ( 2.099 -5.908 3.752) 7.307 26.506 ( 1.523 0.283 0.801) 1.744 26.534 ( 1.083 -2.965 2.142) 3.815 26.985 ( -1.200 5.232 -0.406) 5.383 27.068 ( 0.773 -2.452 -2.171) 3.365 27.155 ( -3.142 6.556 -2.899) 7.827 27.277 ( -2.986 -4.536 -6.552) 8.510 27.501 ( -1.737 4.858 -1.315) 5.325 27.597 ( -3.310 -4.657 -4.324) 7.165 28.032 ( 1.927 2.974 4.340) 5.603 28.083 ( -3.345 -0.842 2.001) 3.987 28.212 ( 6.683 1.460 5.191) 8.587 28.285 ( 7.868 -6.029 6.865) 12.058 28.363 ( 3.852 3.732 9.756) 11.133 28.448 ( 3.041 -3.490 9.487) 10.556 28.864 ( -1.536 2.113 0.384) 2.641 28.878 ( -0.252 0.792 0.315) 0.888 29.067 ( 0.171 1.812 -2.737) 3.287 29.110 ( -1.352 -2.472 -3.582) 4.558 29.532 ( -2.002 4.983 -0.657) 5.410 29.628 ( -2.221 -4.144 -0.257) 4.709 29.702 ( 4.068 3.577 2.614) 6.015 29.778 ( 2.332 -2.878 1.808) 4.122 29.932 ( -7.395 2.917 -5.949) 9.930 30.034 ( -10.326 -7.259 -4.918) 13.546 31.078 ( 7.106 4.317 8.579) 11.947 31.148 ( 4.328 -2.986 5.455) 7.577 31.794 ( -0.477 3.499 -8.779) 9.462 31.840 ( -0.170 -1.104 -6.748) 6.840 31.882 ( 0.400 2.281 0.022) 2.316 31.921 ( 1.569 -1.903 0.812) 2.597 32.107 ( 0.023 1.711 -1.137) 2.055 32.166 ( -1.610 -4.249 -1.892) 4.922 32.589 ( -1.466 2.161 -0.666) 2.695 32.615 ( -3.148 -0.718 0.012) 3.229 32.702 ( 1.988 2.558 -3.294) 4.621 32.803 ( 2.312 -8.352 -4.856) 9.934 33.163 ( 1.371 3.363 9.760) 10.414 33.221 ( 0.085 -2.739 12.225) 12.529 34.094 ( -3.119 12.198 -10.659) 16.497 34.297 ( -4.273 -9.847 -11.116) 15.453 38.275 ( -0.018 1.768 3.819) 4.208 38.310 ( 0.590 -1.433 2.896) 3.285 38.631 ( 0.359 2.400 4.773) 5.354 38.722 ( 0.922 -5.967 8.705) 10.593 39.481 ( -0.391 8.373 -6.742) 10.757 39.609 ( -0.384 -4.474 -6.152) 7.616 40.062 ( -1.513 9.940 -2.173) 10.287 40.183 ( -2.043 -2.458 -5.445) 6.313 40.828 ( 0.691 0.307 0.207) 0.784 40.901 ( 1.495 -7.461 -0.793) 7.650 41.839 ( 1.452 8.206 -0.097) 8.334 41.964 ( 2.590 -5.200 -0.339) 5.819 42.424 ( 4.390 2.830 -5.135) 7.324 42.461 ( 1.621 -0.941 -2.886) 3.441 42.811 ( -6.892 1.922 6.587) 9.726 42.914 ( -0.978 -8.432 3.472) 9.171 ======================= Grid point 92 (50/84) ======================= q-point: (-0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -7.067 11.178 -3.450) 13.667 2.393 ( 6.723 -1.331 3.441) 7.669 2.541 ( -4.797 13.085 0.861) 13.963 2.664 ( 7.320 4.305 -1.907) 8.703 2.731 ( 10.520 -3.377 -2.752) 11.387 2.765 ( -0.525 -7.685 2.784) 8.190 2.906 ( 13.197 4.004 0.889) 13.820 2.967 ( 2.133 -2.675 -3.755) 5.080 3.025 ( 1.596 -2.346 -0.904) 2.978 3.053 ( 1.581 -4.792 0.906) 5.127 3.164 ( -2.377 4.433 0.042) 5.030 3.292 ( 5.538 -6.041 3.574) 8.941 3.538 ( 3.101 3.972 1.921) 5.393 3.621 ( 3.033 0.623 -1.415) 3.404 3.743 ( 1.592 -4.130 3.136) 5.425 3.837 ( 1.481 -10.287 1.348) 10.480 4.067 ( -1.629 5.556 -5.632) 8.077 4.164 ( -0.310 -4.117 -3.191) 5.218 4.377 ( 5.126 2.268 0.302) 5.613 4.408 ( 2.101 -0.629 1.612) 2.722 4.466 ( 2.947 3.487 -4.833) 6.649 4.517 ( -0.632 -2.474 -2.374) 3.487 4.698 ( 0.738 12.840 4.928) 13.773 4.928 ( -2.017 -0.058 -2.306) 3.064 5.095 ( 0.019 -9.001 -3.984) 9.843 5.131 ( -6.490 -5.606 -6.012) 10.474 5.402 ( 1.783 5.046 -0.501) 5.375 5.505 ( 0.096 -2.356 -5.034) 5.559 5.609 ( -0.873 3.398 4.128) 5.417 5.678 ( -5.728 1.097 -4.702) 7.491 5.752 ( -7.598 0.440 -1.566) 7.770 5.807 ( 4.557 8.048 -0.285) 9.253 5.897 ( 2.233 -8.443 1.969) 8.953 5.916 ( -0.351 -4.845 -3.633) 6.066 6.058 ( 1.989 -0.577 4.334) 4.804 6.112 ( -0.216 -4.505 0.528) 4.541 6.393 ( 4.329 2.050 -5.085) 6.985 6.417 ( -0.891 5.177 -0.808) 5.315 6.507 ( 0.184 3.295 6.661) 7.434 6.547 ( 2.807 1.207 5.719) 6.484 6.593 ( -0.897 -2.758 2.253) 3.673 6.649 ( 1.544 -6.551 7.632) 10.176 6.843 ( 5.288 4.473 -4.762) 8.405 6.910 ( 5.709 -2.222 -4.334) 7.504 7.039 ( -6.808 3.717 -4.411) 8.924 7.121 ( -3.186 -4.244 -3.647) 6.439 7.536 ( 1.333 2.670 5.637) 6.378 7.621 ( 3.375 -5.364 5.353) 8.296 7.941 ( 1.201 3.348 0.379) 3.577 7.998 ( -1.557 -3.135 -3.031) 4.630 8.129 ( -1.645 5.764 3.510) 6.946 8.248 ( -1.287 -7.246 0.577) 7.382 8.575 ( -4.035 3.164 1.270) 5.282 8.643 ( -3.832 -2.604 -0.284) 4.642 8.829 ( -0.271 2.912 -0.634) 2.993 8.896 ( 1.200 -1.274 -0.174) 1.758 9.232 ( -3.875 10.751 3.769) 12.034 9.359 ( 3.158 -0.303 2.003) 3.752 9.499 ( 4.292 -1.457 9.590) 10.607 9.540 ( -1.377 -6.144 5.429) 8.313 9.645 ( -6.240 1.680 0.141) 6.464 9.715 ( -2.089 -4.879 0.238) 5.313 9.996 ( 2.878 2.936 5.261) 6.677 10.063 ( 6.122 -4.812 3.549) 8.557 10.137 ( -5.126 2.563 -10.141) 11.649 10.195 ( -2.460 -1.845 -9.443) 9.931 10.472 ( -5.765 10.475 2.280) 12.172 10.677 ( -0.955 -8.813 -0.117) 8.865 10.949 ( -9.611 0.432 -3.096) 10.107 10.978 ( -9.428 -1.453 -1.241) 9.620 11.098 ( -2.276 7.222 1.007) 7.639 11.172 ( 0.615 -0.442 -0.748) 1.065 11.256 ( 6.510 2.796 -0.742) 7.124 11.371 ( 3.399 -7.325 -1.764) 8.266 11.799 ( 8.299 6.392 -2.440) 10.756 11.932 ( 9.292 -6.046 -3.898) 11.751 12.178 ( -4.824 -0.897 2.722) 5.611 12.188 ( -4.976 -1.603 3.561) 6.325 12.483 ( 7.241 0.600 -0.817) 7.311 12.519 ( 7.885 -2.633 -0.691) 8.341 12.761 ( -3.616 1.537 -0.318) 3.942 12.795 ( -2.367 -1.752 -0.488) 2.985 12.970 ( 3.698 0.814 1.013) 3.920 12.976 ( 0.755 0.936 -0.046) 1.204 13.273 ( -0.138 5.238 2.694) 5.892 13.354 ( 0.729 -2.086 0.923) 2.395 13.718 ( -4.533 0.889 -2.052) 5.055 13.740 ( -2.518 -1.257 -0.940) 2.967 13.955 ( 1.463 5.757 4.459) 7.428 14.062 ( -0.655 -3.653 0.376) 3.730 14.565 ( -0.840 1.885 0.241) 2.078 14.598 ( -1.600 -1.230 -1.483) 2.504 14.986 ( -0.645 2.419 2.152) 3.301 15.035 ( 0.116 -1.848 1.610) 2.453 15.159 ( 2.391 2.153 0.467) 3.251 15.182 ( 0.336 -0.725 -0.948) 1.240 15.561 ( 3.037 5.417 7.350) 9.622 15.669 ( 1.173 -3.547 3.024) 4.807 15.877 ( 1.026 2.999 1.830) 3.660 15.949 ( -3.534 -1.884 -3.593) 5.380 16.094 ( -0.761 -1.761 0.406) 1.961 16.113 ( -3.533 -3.777 -2.054) 5.565 16.624 ( 2.206 1.273 -0.760) 2.658 16.678 ( 1.613 -3.095 -3.296) 4.801 17.190 ( -3.705 5.321 -2.900) 7.103 17.264 ( 1.227 2.951 -2.134) 3.843 17.332 ( -0.880 0.184 1.224) 1.519 17.440 ( -5.769 -5.146 -5.560) 9.523 17.605 ( -0.021 3.349 -0.297) 3.363 17.674 ( -0.617 -2.512 -1.968) 3.251 18.002 ( 4.090 0.451 6.068) 7.332 18.055 ( -0.976 -5.109 2.590) 5.810 18.186 ( -1.194 2.145 -2.701) 3.650 18.249 ( -0.581 -4.757 -2.900) 5.601 18.947 ( -0.699 2.355 1.461) 2.858 18.962 ( -0.956 1.019 1.136) 1.800 19.158 ( 3.403 3.800 1.904) 5.445 19.211 ( 0.833 1.103 -3.878) 4.117 19.256 ( 0.196 -0.193 -1.063) 1.098 19.356 ( 0.634 -7.074 -5.738) 9.131 19.666 ( 8.946 2.966 13.138) 16.169 19.722 ( 10.983 -2.671 12.666) 16.976 19.833 ( -2.779 0.924 -2.840) 4.079 19.856 ( -1.594 -1.443 -2.971) 3.667 20.063 ( -4.854 7.758 1.720) 9.312 20.209 ( -5.145 -7.279 -0.733) 8.944 20.294 ( 0.150 4.956 -2.807) 5.698 20.386 ( 0.896 -4.487 -1.954) 4.976 21.254 ( 10.986 12.973 8.531) 19.020 21.382 ( -7.967 13.491 -10.641) 18.940 21.495 ( 15.272 -8.994 13.133) 22.059 21.650 ( -12.563 -11.713 -13.686) 21.962 21.963 ( -1.720 0.684 -3.366) 3.842 21.987 ( -1.024 -1.487 -3.273) 3.738 22.070 ( -1.572 -0.930 -3.280) 3.754 22.080 ( -2.279 -1.380 -3.513) 4.409 22.440 ( 0.196 2.080 2.668) 3.389 22.468 ( -0.729 -0.212 0.741) 1.061 22.690 ( -4.213 -0.097 -4.123) 5.896 22.733 ( -5.178 -3.835 -6.381) 9.069 24.791 ( 11.138 8.868 11.948) 18.586 24.816 ( -5.682 6.107 -3.309) 8.974 25.167 ( -1.939 -1.650 -0.603) 2.616 25.247 ( 0.901 -6.554 -0.861) 6.671 25.422 ( 0.900 0.043 0.381) 0.978 25.431 ( 1.528 -0.837 0.582) 1.837 25.965 ( -1.360 -2.421 2.967) 4.064 25.996 ( 0.002 -4.657 2.878) 5.475 26.575 ( 4.366 0.553 1.308) 4.591 26.584 ( 4.052 0.381 0.655) 4.122 26.904 ( -2.972 2.922 -5.147) 6.623 26.978 ( -1.117 -3.432 -5.702) 6.749 27.129 ( -5.023 -0.141 1.963) 5.394 27.180 ( -4.344 -4.152 0.255) 6.014 27.473 ( 0.032 3.408 -0.349) 3.426 27.531 ( 0.180 -2.289 -1.639) 2.821 28.067 ( -1.866 2.718 2.311) 4.026 28.105 ( 0.754 -1.176 3.591) 3.853 28.324 ( 2.292 3.566 4.211) 5.975 28.375 ( 0.913 -1.136 0.905) 1.716 28.613 ( 5.465 2.088 7.524) 9.531 28.672 ( 4.193 -3.360 4.725) 7.155 28.849 ( 0.869 3.518 0.646) 3.681 28.898 ( 3.754 -0.988 1.437) 4.139 29.031 ( -0.726 1.425 -2.957) 3.361 29.059 ( 1.180 -0.925 -2.139) 2.612 29.495 ( -6.147 6.655 1.127) 9.129 29.604 ( -1.535 -3.743 -1.552) 4.334 29.643 ( -3.428 2.549 0.688) 4.326 29.745 ( -9.167 -6.085 0.137) 11.004 29.868 ( 5.371 2.034 0.539) 5.768 29.980 ( 7.436 -7.399 2.925) 10.890 31.251 ( 1.377 3.222 7.848) 8.594 31.302 ( 1.717 -2.244 8.529) 8.985 31.565 ( -8.967 3.708 -11.687) 15.190 31.633 ( -9.876 -3.057 -11.606) 15.543 31.960 ( 2.999 2.074 -0.582) 3.692 31.968 ( 0.447 0.849 -1.650) 1.908 32.089 ( 1.757 1.357 -2.314) 3.206 32.141 ( 5.110 -3.322 -1.423) 6.259 32.544 ( -3.283 0.890 -0.456) 3.432 32.573 ( -2.556 -2.537 0.696) 3.668 32.714 ( 4.067 1.677 -2.338) 4.982 32.778 ( 2.097 -5.598 -4.105) 7.251 33.322 ( -0.460 5.098 13.807) 14.725 33.403 ( -0.532 -3.381 16.721) 17.068 33.894 ( -1.527 10.572 -14.047) 17.647 34.062 ( -3.487 -7.532 -15.044) 17.181 38.320 ( 0.386 0.693 2.788) 2.898 38.355 ( 0.978 -2.660 2.155) 3.560 38.720 ( -0.925 7.218 8.910) 11.504 38.867 ( 0.729 -7.245 11.348) 13.484 39.412 ( 6.498 8.457 -9.712) 14.424 39.538 ( 5.125 -4.387 -9.324) 11.509 40.008 ( -2.955 6.554 -0.776) 7.231 40.085 ( -2.095 -1.301 -4.461) 5.098 40.846 ( 0.930 0.209 0.135) 0.962 40.911 ( 1.598 -6.766 -1.841) 7.191 41.848 ( -1.149 8.066 0.654) 8.174 41.973 ( 0.109 -5.487 -2.111) 5.880 42.406 ( 1.106 1.758 -4.199) 4.685 42.423 ( -0.564 0.033 -3.867) 3.909 42.815 ( -3.956 5.374 6.573) 9.366 42.973 ( 2.669 -10.676 3.384) 11.513 ======================= Grid point 93 (51/84) ======================= q-point: (-0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -3.415 19.981 -7.177) 21.503 2.275 ( -8.976 16.514 -4.803) 19.400 2.464 ( 1.627 -9.609 -3.194) 10.255 2.617 ( -9.699 -10.174 0.016) 14.057 2.717 ( 1.968 6.304 0.005) 6.603 2.858 ( 2.130 -8.255 0.215) 8.528 3.046 ( 11.320 3.917 0.640) 11.996 3.069 ( 5.228 3.837 0.291) 6.491 3.144 ( 7.261 -1.756 1.889) 7.705 3.221 ( 12.481 -8.487 -0.758) 15.112 3.263 ( 9.440 9.780 2.653) 13.849 3.474 ( 7.275 -4.053 6.704) 10.691 3.610 ( 4.609 0.933 0.394) 4.719 3.709 ( 5.382 -4.082 1.106) 6.845 3.768 ( 1.472 2.296 0.466) 2.767 3.890 ( 4.134 -5.307 1.925) 6.997 3.998 ( -0.588 4.348 -3.414) 5.559 4.148 ( 1.354 -6.858 -1.495) 7.148 4.352 ( -2.503 3.310 -8.399) 9.368 4.419 ( -2.688 -2.717 -4.710) 6.066 4.484 ( 7.308 2.939 0.939) 7.932 4.526 ( 3.781 -0.110 1.443) 4.048 4.799 ( -2.264 8.272 3.912) 9.426 4.869 ( -1.369 9.885 1.335) 10.068 4.945 ( -6.037 -5.778 -1.589) 8.506 5.111 ( 1.603 -11.348 3.328) 11.934 5.410 ( -1.625 3.376 -5.069) 6.303 5.501 ( -3.686 -1.480 -7.053) 8.095 5.512 ( 1.012 3.036 2.098) 3.827 5.629 ( -0.579 -3.913 2.000) 4.433 5.738 ( 2.348 2.526 0.436) 3.476 5.799 ( -0.005 4.557 1.473) 4.790 5.898 ( 0.596 -1.854 4.876) 5.251 6.003 ( 0.698 -9.720 -0.721) 9.771 6.122 ( 2.874 2.562 1.098) 4.004 6.140 ( -0.269 0.522 2.393) 2.464 6.365 ( 0.215 4.193 -1.047) 4.327 6.471 ( 1.730 -5.800 5.404) 8.114 6.497 ( -0.859 8.529 -1.758) 8.750 6.591 ( 6.691 1.175 -5.282) 8.605 6.667 ( 3.676 -1.858 4.198) 5.881 6.758 ( 2.312 -4.909 2.001) 5.784 6.888 ( 7.306 0.556 -1.965) 7.586 6.922 ( 3.489 -2.866 -3.036) 5.441 7.045 ( 2.843 4.063 7.608) 9.082 7.170 ( 5.808 -7.032 6.773) 11.360 7.555 ( -3.155 2.727 -1.430) 4.409 7.609 ( -3.730 -1.779 -5.043) 6.520 7.803 ( -8.253 3.189 -7.219) 11.419 7.889 ( -4.613 -4.795 -4.197) 7.867 8.041 ( -8.920 5.254 -3.191) 10.833 8.186 ( -7.109 -6.570 -3.238) 10.208 8.556 ( -2.513 3.914 3.537) 5.843 8.661 ( -2.392 -7.902 3.285) 8.885 8.856 ( 4.477 8.887 0.601) 9.969 8.972 ( 5.226 -0.648 3.387) 6.261 9.215 ( -4.503 6.802 2.691) 8.590 9.361 ( -2.675 -3.608 -2.121) 4.967 9.458 ( -5.315 0.211 -3.174) 6.194 9.537 ( -5.741 -8.196 -2.549) 10.326 9.695 ( 1.237 5.217 8.172) 9.774 9.769 ( 2.202 0.645 4.568) 5.112 9.873 ( -6.211 0.994 -9.421) 11.328 9.971 ( -1.505 -4.682 -7.991) 9.383 10.163 ( 2.759 2.271 4.523) 5.764 10.253 ( 5.275 -5.976 6.267) 10.140 10.454 ( -4.294 10.783 5.862) 13.003 10.656 ( -4.586 -7.511 -0.979) 8.855 10.770 ( -6.617 0.479 -2.423) 7.063 10.815 ( -6.251 -3.722 -2.597) 7.725 11.105 ( -2.049 2.235 3.479) 4.615 11.143 ( -4.038 -1.061 -0.780) 4.247 11.354 ( 6.123 2.860 -0.091) 6.759 11.422 ( 4.915 -3.898 -0.056) 6.273 11.882 ( 8.153 6.075 -3.838) 10.868 12.007 ( 6.356 -6.092 -4.460) 9.869 12.172 ( -1.128 0.348 2.980) 3.205 12.197 ( 1.441 -0.982 5.026) 5.320 12.568 ( 6.269 1.352 -2.188) 6.776 12.603 ( 6.252 -2.430 -3.139) 7.406 12.705 ( -3.306 2.597 0.753) 4.271 12.755 ( -2.520 -2.030 0.223) 3.244 12.977 ( 0.094 2.349 -0.232) 2.362 13.032 ( 2.789 -2.801 0.439) 3.977 13.268 ( -2.152 3.015 -0.549) 3.745 13.328 ( -3.329 -2.923 -2.505) 5.089 13.663 ( -1.461 5.088 0.831) 5.358 13.734 ( -0.334 -2.011 3.077) 3.691 14.006 ( -0.819 3.894 1.158) 4.144 14.048 ( -0.212 -0.734 0.677) 1.020 14.606 ( 1.380 1.267 1.834) 2.622 14.617 ( 3.284 0.037 3.799) 5.022 14.986 ( -1.834 1.674 0.350) 2.508 15.031 ( -1.786 -2.755 0.006) 3.283 15.186 ( 3.024 5.125 -1.184) 6.067 15.231 ( 3.898 -0.269 2.300) 4.534 15.574 ( -3.930 5.923 -2.242) 7.453 15.612 ( -4.373 -0.266 -4.932) 6.597 15.865 ( -2.815 2.371 -3.521) 5.094 15.958 ( 1.690 -3.879 4.387) 6.095 16.057 ( -0.922 -2.989 0.259) 3.138 16.120 ( 0.865 -4.447 3.965) 6.020 16.569 ( -2.457 2.036 -3.924) 5.058 16.646 ( -1.475 -6.149 -4.545) 7.787 17.185 ( 1.625 9.412 4.104) 10.396 17.284 ( 1.656 0.165 0.390) 1.709 17.418 ( -2.167 -1.899 -2.622) 3.896 17.439 ( 4.817 -2.224 5.548) 7.676 17.611 ( 1.646 1.094 2.772) 3.404 17.677 ( 9.679 -2.901 11.630) 15.406 18.085 ( 3.226 4.162 -0.029) 5.266 18.131 ( -1.344 3.162 -1.850) 3.902 18.168 ( 3.975 -1.658 5.836) 7.253 18.285 ( 4.818 -9.420 2.630) 10.902 18.915 ( -3.012 5.701 -0.074) 6.448 19.002 ( 0.117 -2.981 1.897) 3.535 19.102 ( -10.957 2.959 -11.947) 16.479 19.143 ( -9.917 -0.645 -9.958) 14.068 19.213 ( 1.024 -0.757 -0.831) 1.521 19.246 ( -0.522 -5.053 -3.222) 6.015 19.570 ( -8.357 3.897 -11.237) 14.536 19.641 ( -8.223 -2.993 -13.343) 15.957 19.826 ( 0.999 1.484 1.883) 2.597 19.864 ( 1.195 -2.410 2.082) 3.402 20.136 ( 0.868 6.334 7.177) 9.612 20.249 ( 0.259 -5.420 4.756) 7.216 20.302 ( 4.888 6.913 1.834) 8.663 20.433 ( 4.664 -6.654 1.508) 8.265 21.019 ( -8.192 14.325 -9.906) 19.247 21.255 ( -9.153 -9.568 -10.699) 17.023 21.633 ( 8.661 10.763 5.291) 14.794 21.817 ( 2.613 -8.095 1.729) 8.680 21.939 ( -0.617 -0.101 -0.018) 0.626 21.971 ( 2.552 -3.802 3.373) 5.687 22.091 ( 3.773 3.467 3.737) 6.342 22.159 ( 6.422 -3.687 6.129) 9.613 22.430 ( -1.995 1.837 -1.329) 3.020 22.449 ( -1.710 -0.008 -0.301) 1.736 22.739 ( 8.510 1.425 9.846) 13.092 22.807 ( 10.743 -6.030 12.576) 17.605 24.458 ( -18.622 12.738 -15.282) 27.250 24.689 ( -15.038 -11.714 -15.246) 24.409 25.252 ( 7.992 13.010 8.330) 17.393 25.393 ( 3.034 -1.725 1.636) 3.855 25.449 ( 1.917 1.363 0.748) 2.468 25.548 ( 8.938 -6.639 5.974) 12.636 25.912 ( -5.779 -0.660 -2.696) 6.412 25.970 ( -4.600 -5.757 -1.587) 7.538 26.570 ( 1.826 5.015 -2.926) 6.087 26.675 ( 2.679 -5.368 -3.168) 6.784 26.889 ( 4.162 2.191 4.977) 6.848 26.966 ( 2.290 -5.530 0.432) 6.001 27.054 ( -6.805 1.003 0.347) 6.888 27.112 ( -4.706 -4.509 2.116) 6.853 27.509 ( 3.216 3.525 2.934) 5.601 27.569 ( 4.035 -2.647 2.390) 5.385 28.052 ( -3.678 4.829 -0.201) 6.074 28.144 ( -1.104 -4.665 1.418) 5.000 28.301 ( -5.012 2.643 -8.560) 10.265 28.362 ( -3.777 -3.275 -4.509) 6.732 28.594 ( -3.734 4.146 -2.095) 5.960 28.635 ( -0.312 0.919 -2.376) 2.566 28.893 ( 0.885 3.889 0.799) 4.068 28.974 ( 0.402 -3.578 0.408) 3.624 29.015 ( 2.795 3.796 -1.276) 4.884 29.082 ( 3.252 -2.087 0.023) 3.865 29.482 ( -0.095 4.970 3.357) 5.998 29.587 ( -0.450 -5.385 1.331) 5.565 29.693 ( 2.600 0.820 3.904) 4.762 29.720 ( 1.672 -2.052 2.899) 3.926 30.075 ( 13.257 3.619 9.569) 16.746 30.172 ( 10.260 -6.108 9.445) 15.225 31.174 ( -12.104 3.353 -14.898) 19.486 31.240 ( -12.427 -3.424 -14.406) 19.331 31.358 ( -5.641 3.158 3.964) 7.583 31.436 ( -5.727 -5.214 5.942) 9.762 31.914 ( -0.640 2.825 -2.722) 3.975 31.947 ( 1.066 -0.665 -0.997) 1.604 32.139 ( 2.730 3.445 -0.198) 4.400 32.204 ( 2.423 -2.939 0.012) 3.809 32.522 ( 0.109 1.190 0.945) 1.524 32.558 ( -1.469 -2.588 1.853) 3.505 32.732 ( 1.845 0.707 -2.389) 3.100 32.780 ( 3.452 -4.048 -1.423) 5.507 33.429 ( -3.517 6.694 3.725) 8.429 33.540 ( -5.708 -4.965 6.821) 10.186 33.780 ( 3.827 8.946 -2.909) 10.155 33.918 ( 2.704 -5.705 -1.919) 6.599 38.353 ( 0.641 0.295 1.134) 1.336 38.388 ( 1.271 -3.565 0.396) 3.806 38.779 ( -2.743 10.024 3.477) 10.959 38.968 ( -2.200 -9.380 4.425) 10.602 39.478 ( 15.323 7.261 -4.230) 17.475 39.567 ( 10.715 -2.541 -3.186) 11.464 39.965 ( -3.326 5.076 1.217) 6.190 40.031 ( -2.074 -1.679 1.100) 2.886 40.850 ( 0.184 -0.401 -0.461) 0.638 40.890 ( 0.319 -4.787 -3.657) 6.033 41.815 ( -3.873 6.499 -0.059) 7.566 41.905 ( -3.138 -3.036 -4.725) 6.433 42.352 ( -1.754 1.261 -2.898) 3.615 42.373 ( -0.375 -0.788 -2.756) 2.891 42.854 ( -1.937 8.261 5.981) 10.381 43.056 ( 3.499 -12.509 2.131) 13.163 ======================= Grid point 94 (52/84) ======================= q-point: (-0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 4.494 27.670 1.876) 28.095 2.162 ( -3.946 23.629 2.343) 24.071 2.510 ( 1.572 -7.093 1.081) 7.346 2.546 ( -1.733 -14.667 4.213) 15.358 2.723 ( 2.800 0.590 -1.126) 3.075 2.851 ( -3.049 -11.331 -1.461) 11.825 3.125 ( 2.677 2.868 0.927) 4.032 3.191 ( 4.652 -0.645 1.134) 4.832 3.246 ( 3.815 10.167 1.273) 10.934 3.370 ( 10.101 -3.382 -0.936) 10.693 3.421 ( 7.411 3.800 2.121) 8.594 3.579 ( 3.008 8.414 2.707) 9.336 3.671 ( -2.750 -10.907 -0.769) 11.274 3.739 ( 7.219 -1.692 -1.045) 7.488 3.880 ( 4.581 1.816 1.174) 5.066 3.916 ( -2.148 13.010 -2.573) 13.435 3.993 ( 4.421 -11.046 1.367) 11.976 4.114 ( -1.107 -3.804 -0.815) 4.045 4.261 ( 1.711 -0.297 -3.420) 3.836 4.331 ( 1.438 -5.834 -4.416) 7.457 4.534 ( -2.502 4.216 0.933) 4.991 4.590 ( 3.074 0.330 1.580) 3.472 4.723 ( -6.435 5.713 -0.137) 8.606 4.857 ( -3.276 -4.742 6.946) 9.026 5.025 ( -0.593 8.751 6.692) 11.032 5.192 ( 4.488 -1.089 2.579) 5.290 5.301 ( -5.283 -0.790 -2.954) 6.104 5.363 ( -0.614 -2.416 -4.256) 4.932 5.573 ( -3.441 0.631 0.219) 3.506 5.596 ( 3.997 -2.768 1.728) 5.160 5.782 ( -0.833 6.272 -0.794) 6.377 5.895 ( 1.105 4.359 3.730) 5.843 5.944 ( 4.366 -10.830 0.299) 11.680 6.011 ( 2.550 -6.409 4.118) 8.033 6.082 ( -2.665 3.803 -5.232) 6.996 6.128 ( -1.776 -0.046 -4.464) 4.804 6.347 ( -4.583 8.483 -0.873) 9.681 6.474 ( 0.286 0.128 -0.099) 0.328 6.541 ( 4.301 4.909 -4.226) 7.775 6.702 ( 4.957 -5.638 -1.935) 7.752 6.734 ( 2.528 0.035 -1.550) 2.965 6.790 ( 3.481 -5.204 1.046) 6.348 6.967 ( 8.914 2.182 2.000) 9.393 7.057 ( 6.636 -4.553 0.720) 8.080 7.144 ( -0.776 7.926 2.945) 8.491 7.303 ( 3.889 -3.143 2.420) 5.556 7.458 ( -3.249 -4.062 -3.321) 6.171 7.480 ( -5.274 -6.735 -2.857) 9.019 7.671 ( -2.901 4.691 -1.079) 5.620 7.786 ( -0.124 -2.295 -2.564) 3.444 7.903 ( -4.687 -0.042 0.677) 4.736 8.044 ( -5.720 -6.417 -0.612) 8.618 8.553 ( -2.077 -0.150 1.732) 2.708 8.587 ( -6.927 -5.614 -2.749) 9.331 8.925 ( 5.615 6.992 -1.265) 9.056 9.046 ( 0.319 -4.512 -1.696) 4.830 9.153 ( -5.799 10.273 2.185) 11.997 9.296 ( -1.326 0.543 -1.216) 1.880 9.409 ( -0.598 -1.451 -0.029) 1.570 9.465 ( -1.784 -7.742 -1.010) 8.009 9.620 ( -4.494 4.191 -3.616) 7.130 9.730 ( -2.006 -5.241 -4.642) 7.283 9.850 ( 2.997 9.180 1.408) 9.759 10.006 ( 6.406 -4.007 0.152) 7.558 10.219 ( -4.267 3.753 3.631) 6.744 10.337 ( -1.904 -6.799 1.400) 7.198 10.482 ( -1.417 2.982 3.279) 4.653 10.523 ( -6.365 -0.395 0.108) 6.378 10.689 ( -1.893 0.588 -0.601) 2.071 10.778 ( -1.789 -7.891 1.640) 8.256 11.085 ( -2.443 2.166 0.739) 3.348 11.123 ( -1.758 -2.131 3.636) 4.566 11.414 ( 2.979 2.338 -0.848) 3.880 11.470 ( 2.287 -3.529 -0.973) 4.316 11.942 ( 5.128 3.276 -1.308) 6.224 12.015 ( 1.742 -4.151 -1.561) 4.764 12.221 ( 3.184 5.268 0.850) 6.214 12.316 ( 3.857 -2.870 4.472) 6.566 12.588 ( 0.981 4.342 -3.391) 5.596 12.627 ( 3.324 -1.115 -2.919) 4.562 12.693 ( -0.084 2.379 0.474) 2.427 12.734 ( -0.804 -0.501 0.231) 0.976 12.983 ( 0.505 -0.469 0.990) 1.206 13.060 ( 0.778 -6.154 0.434) 6.218 13.227 ( -1.184 0.947 -1.061) 1.850 13.241 ( -2.476 -0.633 -2.668) 3.695 13.660 ( -0.452 7.919 -0.574) 7.952 13.762 ( -1.233 -2.554 1.160) 3.064 13.993 ( -0.824 4.431 0.468) 4.531 14.065 ( -0.402 -4.014 1.215) 4.213 14.636 ( -0.024 4.807 0.369) 4.821 14.700 ( 1.387 -1.813 1.466) 2.713 14.950 ( -1.377 1.528 -1.022) 2.297 15.001 ( -1.904 -3.253 0.024) 3.770 15.216 ( 2.731 8.579 -1.587) 9.142 15.333 ( 4.882 -2.213 3.345) 6.318 15.461 ( -4.945 1.165 -6.977) 8.630 15.504 ( -0.109 1.056 -1.063) 1.503 15.820 ( 1.103 8.884 -0.395) 8.960 15.990 ( -2.700 1.282 0.218) 2.996 16.066 ( 0.756 -9.637 0.331) 9.673 16.149 ( -1.548 -7.695 -0.290) 7.855 16.541 ( 0.512 -0.023 1.770) 1.843 16.573 ( -1.018 -3.245 -0.092) 3.402 17.236 ( 1.024 8.061 2.491) 8.499 17.294 ( -1.627 7.035 -2.263) 7.567 17.349 ( -1.116 -3.648 1.827) 4.230 17.449 ( -2.146 -8.630 1.077) 8.958 17.950 ( 16.940 9.199 14.273) 23.985 18.059 ( 7.829 -0.218 7.279) 10.693 18.091 ( -1.198 4.161 -2.886) 5.204 18.153 ( -2.217 2.676 -3.430) 4.883 18.205 ( 2.439 -4.868 3.303) 6.368 18.331 ( -3.178 -11.134 -5.634) 12.876 18.661 ( -9.189 0.179 -8.799) 12.724 18.702 ( -8.928 -3.157 -9.500) 13.413 18.897 ( -1.596 6.300 0.651) 6.532 19.035 ( -1.363 -7.274 0.531) 7.420 19.252 ( 1.400 -0.241 2.337) 2.735 19.265 ( 0.918 -1.859 2.682) 3.390 19.408 ( 0.353 8.126 -2.830) 8.612 19.534 ( 1.438 -4.544 -1.949) 5.149 19.861 ( 1.528 1.636 1.221) 2.550 19.894 ( -0.100 -1.852 1.590) 2.443 20.157 ( -2.525 6.396 -1.606) 7.061 20.234 ( -0.964 -0.352 -1.403) 1.738 20.418 ( 2.047 1.215 1.018) 2.589 20.506 ( 2.393 -6.626 0.359) 7.054 20.893 ( -0.551 14.003 -0.258) 14.017 21.117 ( -0.098 -9.288 -1.328) 9.383 21.704 ( 0.865 5.918 0.066) 5.982 21.811 ( -0.333 -5.819 0.029) 5.828 21.936 ( -0.496 2.772 0.703) 2.902 22.013 ( 0.099 -5.014 0.725) 5.067 22.158 ( -0.690 4.876 1.710) 5.213 22.254 ( -0.442 -5.163 1.751) 5.470 22.393 ( -1.136 2.766 -0.763) 3.086 22.435 ( -0.770 -1.645 0.153) 1.823 23.070 ( 8.113 4.248 8.617) 12.574 23.176 ( 5.834 -7.340 9.022) 13.012 24.042 ( -9.347 15.248 -7.854) 19.533 24.325 ( -5.520 -14.291 -6.723) 16.730 25.389 ( 1.945 7.167 1.227) 7.527 25.435 ( 1.823 -0.785 0.612) 2.077 25.486 ( 0.854 9.349 -0.624) 9.409 25.730 ( 6.676 -5.535 4.165) 9.620 25.789 ( -3.607 -1.054 -2.189) 4.350 25.843 ( -6.579 -8.187 -4.596) 11.465 26.589 ( 3.044 2.774 -1.404) 4.351 26.650 ( 1.502 -2.791 -1.054) 3.340 26.932 ( -4.106 -0.464 -1.135) 4.285 26.952 ( -1.260 -3.543 0.308) 3.773 27.072 ( 1.720 2.005 5.529) 6.128 27.146 ( -0.779 -5.980 3.811) 7.134 27.648 ( 7.081 2.563 5.548) 9.354 27.690 ( 5.473 -1.629 2.329) 6.166 27.883 ( -8.897 5.036 -7.631) 12.758 27.982 ( -8.871 -4.715 -7.342) 12.443 28.221 ( 1.309 -0.683 0.868) 1.713 28.241 ( -1.059 -3.022 -0.547) 3.248 28.550 ( 0.307 7.940 -4.007) 8.899 28.642 ( 1.716 -0.788 -2.790) 3.369 28.902 ( -0.762 3.130 0.849) 3.332 28.974 ( -0.759 -2.955 0.449) 3.084 29.031 ( 1.881 4.923 -1.673) 5.529 29.125 ( 1.422 -2.983 0.611) 3.361 29.518 ( 1.572 3.710 1.133) 4.185 29.601 ( 0.481 -4.435 0.208) 4.466 29.754 ( 2.015 1.811 0.048) 2.710 29.774 ( 2.153 0.275 1.155) 2.459 30.332 ( 4.874 2.283 -9.666) 11.064 30.399 ( 3.961 -4.899 -4.963) 8.020 30.871 ( -4.498 1.575 -1.738) 5.073 30.899 ( -4.852 -1.542 2.387) 5.623 31.349 ( -4.889 1.721 5.050) 7.236 31.416 ( -6.529 -5.320 5.262) 9.931 31.911 ( 0.197 4.616 1.157) 4.763 31.970 ( 0.921 -1.128 0.914) 1.719 32.161 ( 1.546 1.325 1.078) 2.304 32.201 ( -1.548 -2.749 0.125) 3.158 32.550 ( 1.076 0.400 0.952) 1.491 32.573 ( -0.807 -1.731 2.483) 3.133 32.733 ( 1.961 3.566 -1.033) 4.199 32.818 ( 2.076 -4.690 0.539) 5.157 33.328 ( -1.104 5.972 -10.959) 12.529 33.426 ( -3.926 -4.328 -9.101) 10.815 33.900 ( 1.473 8.677 11.501) 14.481 34.044 ( -0.217 -6.817 12.606) 14.333 38.361 ( 0.276 0.670 -1.062) 1.286 38.397 ( 0.874 -3.620 -1.607) 4.056 38.736 ( -1.255 9.453 -4.361) 10.486 38.925 ( -1.512 -9.888 -5.334) 11.336 39.667 ( 11.199 5.249 -0.039) 12.368 39.738 ( 10.409 -2.246 2.110) 10.856 39.944 ( -3.314 6.540 3.209) 8.003 40.047 ( -3.345 -4.330 6.316) 8.357 40.844 ( 0.181 0.238 -0.161) 0.340 40.875 ( 1.906 -2.704 1.253) 3.537 41.744 ( -3.255 5.421 -2.078) 6.656 41.807 ( -2.379 -0.743 -2.715) 3.686 42.306 ( -0.324 1.820 -1.694) 2.507 42.344 ( -0.332 -2.111 -1.074) 2.392 42.895 ( -2.333 8.908 5.290) 10.619 43.114 ( 1.804 -13.516 0.633) 13.650 ======================= Grid point 119 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 20.710 0.000 34.176) 39.961 1.841 ( -2.663 0.000 34.253) 34.357 2.316 ( -11.082 0.000 -22.968) 25.502 2.336 ( 3.373 0.000 -9.192) 9.791 2.765 ( 6.909 0.000 38.268) 38.887 3.045 ( 0.697 0.000 2.707) 2.795 3.136 ( -1.758 0.000 -2.059) 2.707 3.158 ( -5.302 0.000 -3.355) 6.274 3.285 ( -3.742 0.000 -2.467) 4.482 3.293 ( -3.998 0.000 16.040) 16.530 3.325 ( 0.082 0.000 -1.089) 1.092 3.533 ( -1.351 0.000 1.797) 2.248 3.613 ( -1.277 0.000 -2.175) 2.523 3.667 ( 1.597 0.000 -0.206) 1.611 3.818 ( -2.426 0.000 -11.225) 11.484 3.885 ( 13.108 0.000 -19.510) 23.505 4.097 ( 4.662 0.000 -0.017) 4.662 4.130 ( -0.958 0.000 -3.964) 4.078 4.270 ( 2.165 0.000 4.776) 5.244 4.413 ( -0.765 0.000 -5.976) 6.025 4.516 ( -12.026 0.000 2.369) 12.257 4.578 ( 6.958 0.000 -3.239) 7.675 4.662 ( 5.870 0.000 5.592) 8.107 4.835 ( -3.307 0.000 0.375) 3.328 4.880 ( -2.024 0.000 -13.691) 13.839 4.921 ( -5.770 0.000 -9.720) 11.303 5.241 ( 1.450 0.000 1.762) 2.282 5.281 ( 0.044 0.000 -1.373) 1.374 5.487 ( -0.520 0.000 4.456) 4.487 5.540 ( -3.347 0.000 0.089) 3.348 5.740 ( -1.991 0.000 0.632) 2.089 5.769 ( 6.572 0.000 0.389) 6.584 6.061 ( 0.149 0.000 7.447) 7.449 6.064 ( 15.249 0.000 8.245) 17.335 6.223 ( 9.902 0.000 8.439) 13.010 6.294 ( -0.890 0.000 -2.056) 2.240 6.401 ( -11.238 0.000 -8.358) 14.006 6.432 ( -3.087 0.000 -6.060) 6.801 6.591 ( 11.818 0.000 -4.183) 12.536 6.692 ( -14.085 0.000 -1.449) 14.160 6.809 ( -11.460 0.000 -2.559) 11.742 6.866 ( 1.724 0.000 -2.786) 3.277 6.988 ( 5.580 0.000 5.532) 7.857 7.067 ( -3.897 0.000 -6.637) 7.697 7.151 ( -0.730 0.000 0.914) 1.170 7.339 ( 0.266 0.000 -12.459) 12.462 7.640 ( 6.821 0.000 3.396) 7.620 7.684 ( -5.754 0.000 1.010) 5.842 7.735 ( -4.490 0.000 5.806) 7.340 7.788 ( 5.606 0.000 1.872) 5.910 8.338 ( 2.902 0.000 6.545) 7.160 8.380 ( -4.074 0.000 5.501) 6.845 8.525 ( 5.129 0.000 -6.291) 8.117 8.527 ( -10.580 0.000 -7.275) 12.840 8.860 ( -8.592 0.000 2.189) 8.866 8.930 ( 8.626 0.000 -3.440) 9.287 9.077 ( -2.432 0.000 -1.399) 2.806 9.097 ( 3.802 0.000 -3.081) 4.894 9.304 ( -0.873 0.000 1.230) 1.509 9.338 ( 1.143 0.000 -1.086) 1.576 9.745 ( -0.340 0.000 4.003) 4.018 9.774 ( 4.438 0.000 1.821) 4.797 9.976 ( 1.829 0.000 1.506) 2.370 9.997 ( -3.689 0.000 4.830) 6.078 10.066 ( 2.448 0.000 2.363) 3.402 10.268 ( -2.103 0.000 -11.939) 12.123 10.738 ( -6.784 0.000 4.214) 7.986 10.804 ( 7.006 0.000 -1.626) 7.192 10.884 ( -3.322 0.000 9.783) 10.331 11.061 ( -0.378 0.000 -2.766) 2.791 11.137 ( 2.849 0.000 5.607) 6.289 11.259 ( 2.932 0.000 4.377) 5.268 11.303 ( 3.322 0.000 -3.403) 4.756 11.464 ( -10.336 0.000 -10.605) 14.809 11.910 ( 2.119 0.000 0.033) 2.119 11.912 ( -1.364 0.000 -0.035) 1.365 12.234 ( 9.568 0.000 1.167) 9.638 12.255 ( -6.850 0.000 -1.275) 6.968 12.339 ( 3.494 0.000 -1.527) 3.813 12.356 ( -3.795 0.000 -2.032) 4.305 12.790 ( 5.454 0.000 1.409) 5.634 12.824 ( -6.082 0.000 -1.434) 6.249 12.962 ( -1.456 0.000 2.865) 3.214 12.995 ( 1.437 0.000 -0.073) 1.439 13.409 ( -4.554 0.000 5.269) 6.964 13.443 ( 9.179 0.000 5.021) 10.463 13.504 ( 5.035 0.000 -3.236) 5.985 13.551 ( -8.872 0.000 -4.657) 10.020 13.970 ( 5.089 0.000 9.512) 10.788 14.183 ( -5.797 0.000 -9.327) 10.981 14.491 ( -1.942 0.000 -0.355) 1.974 14.496 ( 0.600 0.000 -1.235) 1.373 14.919 ( -0.511 0.000 5.421) 5.445 14.972 ( 3.825 0.000 -0.302) 3.837 15.161 ( 1.653 0.000 -3.198) 3.599 15.171 ( -1.960 0.000 -5.631) 5.962 15.352 ( 5.288 0.000 3.099) 6.129 15.411 ( -3.304 0.000 -3.983) 5.175 15.759 ( -6.516 0.000 3.586) 7.438 15.837 ( 8.888 0.000 -4.365) 9.902 16.284 ( 1.324 0.000 6.097) 6.239 16.443 ( -6.330 0.000 -7.830) 10.069 16.534 ( 0.886 0.000 3.832) 3.933 16.665 ( -7.567 0.000 -8.989) 11.750 17.097 ( 12.942 0.000 9.976) 16.341 17.222 ( -5.801 0.000 -1.433) 5.976 17.294 ( 6.499 0.000 10.788) 12.594 17.480 ( -4.030 0.000 -1.843) 4.431 17.568 ( -2.928 0.000 -1.859) 3.469 17.637 ( -6.541 0.000 -13.388) 14.900 18.092 ( 0.593 0.000 2.480) 2.550 18.113 ( 1.395 0.000 1.602) 2.125 18.369 ( -0.952 0.000 1.502) 1.779 18.426 ( -1.285 0.000 -2.524) 2.832 18.784 ( 8.068 0.000 5.716) 9.888 18.904 ( -6.284 0.000 -5.379) 8.272 19.008 ( 1.302 0.000 -0.145) 1.310 19.072 ( -5.281 0.000 -5.954) 7.959 19.199 ( 13.635 0.000 15.669) 20.771 19.461 ( -6.643 0.000 -8.201) 10.554 19.719 ( 2.580 0.000 8.162) 8.560 19.902 ( -2.680 0.000 -8.532) 8.943 19.911 ( 6.686 0.000 4.905) 8.292 19.945 ( -5.622 0.000 -0.114) 5.623 20.089 ( 7.943 0.000 5.264) 9.529 20.162 ( -11.601 0.000 -1.428) 11.689 20.250 ( 25.505 0.000 25.853) 36.316 20.573 ( 1.121 0.000 -1.556) 1.917 20.689 ( -0.607 0.000 -4.122) 4.166 20.859 ( -20.533 0.000 -20.987) 29.361 21.669 ( 11.479 0.000 13.079) 17.402 21.883 ( -5.187 0.000 -5.904) 7.859 22.032 ( 3.175 0.000 4.642) 5.624 22.125 ( -2.763 0.000 -3.791) 4.691 22.175 ( 2.037 0.000 6.465) 6.778 22.255 ( 2.757 0.000 0.317) 2.775 22.302 ( -5.353 0.000 -3.783) 6.555 22.381 ( -9.527 0.000 -13.050) 16.157 22.781 ( 3.672 0.000 7.354) 8.220 23.009 ( -13.180 0.000 -15.012) 19.977 24.030 ( 18.275 0.000 20.047) 27.127 24.422 ( -13.550 0.000 -16.220) 21.135 25.345 ( 9.655 0.000 8.931) 13.152 25.441 ( -3.101 0.000 -2.659) 4.085 25.563 ( 6.187 0.000 9.763) 11.558 25.682 ( 1.247 0.000 -0.975) 1.583 25.998 ( -0.767 0.000 7.210) 7.251 26.236 ( -2.542 0.000 -10.790) 11.086 26.536 ( -0.480 0.000 -4.501) 4.527 26.559 ( -8.895 0.000 -5.006) 10.207 26.931 ( -1.580 0.000 10.434) 10.553 27.043 ( 7.850 0.000 2.931) 8.379 27.180 ( 7.146 0.000 4.196) 8.286 27.265 ( -1.586 0.000 -6.852) 7.034 27.420 ( -2.122 0.000 -4.910) 5.349 27.422 ( -7.495 0.000 -4.957) 8.986 28.035 ( 6.178 0.000 3.454) 7.078 28.064 ( -3.835 0.000 0.666) 3.893 28.245 ( 0.721 0.000 -1.903) 2.035 28.250 ( -1.652 0.000 -2.265) 2.803 28.643 ( 14.077 0.000 12.480) 18.813 28.767 ( 6.703 0.000 0.965) 6.772 28.790 ( -6.731 0.000 -3.139) 7.427 28.923 ( -7.972 0.000 -10.385) 13.092 29.123 ( 5.385 0.000 7.007) 8.837 29.274 ( -8.965 0.000 -7.265) 11.539 29.335 ( 17.618 0.000 1.844) 17.714 29.402 ( -9.994 0.000 -3.886) 10.723 29.673 ( 9.372 0.000 2.101) 9.605 29.737 ( -8.323 0.000 -3.659) 9.092 29.919 ( 13.737 0.000 4.504) 14.456 30.043 ( -12.058 0.000 -8.246) 14.608 31.030 ( 11.568 0.000 8.498) 14.354 31.216 ( -13.984 0.000 -8.829) 16.538 31.311 ( 14.442 0.000 12.626) 19.183 31.543 ( -8.402 0.000 -8.677) 12.078 31.770 ( 5.956 0.000 5.789) 8.306 31.893 ( -6.275 0.000 -5.749) 8.511 32.242 ( 5.212 0.000 9.480) 10.819 32.346 ( -0.771 0.000 2.755) 2.860 32.533 ( -0.656 0.000 0.209) 0.689 32.645 ( -0.709 0.000 -6.755) 6.792 32.881 ( -5.521 0.000 0.070) 5.522 32.886 ( 1.855 0.000 0.083) 1.857 33.228 ( 1.664 0.000 2.772) 3.233 33.289 ( -1.960 0.000 -3.098) 3.666 34.015 ( 20.926 0.000 11.338) 23.800 34.244 ( -33.693 0.000 -9.751) 35.076 38.416 ( 2.998 0.000 0.855) 3.118 38.443 ( -2.430 0.000 -2.342) 3.375 38.651 ( -6.706 0.000 2.799) 7.266 38.737 ( 7.323 0.000 -4.256) 8.470 39.307 ( 0.460 0.000 4.468) 4.492 39.415 ( -1.616 0.000 -5.495) 5.728 39.859 ( -7.787 0.000 2.381) 8.143 39.877 ( 6.049 0.000 0.920) 6.119 41.193 ( 0.786 0.000 6.515) 6.562 41.320 ( -1.098 0.000 -4.241) 4.381 41.386 ( -10.463 0.000 4.950) 11.575 41.502 ( 19.115 0.000 -4.973) 19.751 42.299 ( 2.646 0.000 2.428) 3.591 42.366 ( -2.171 0.000 -3.545) 4.157 43.704 ( 0.519 0.000 1.171) 1.281 43.737 ( -2.044 0.000 -1.814) 2.733 ======================= Grid point 120 (54/84) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( -30.839 0.000 -38.343) 49.206 2.177 ( -0.106 0.000 17.770) 17.771 2.177 ( 7.000 0.000 -22.361) 23.431 2.229 ( 5.231 0.000 23.642) 24.214 2.935 ( -1.023 0.000 -9.230) 9.287 3.001 ( -7.974 0.000 -3.835) 8.849 3.165 ( -4.716 0.000 3.999) 6.184 3.172 ( 1.843 0.000 0.992) 2.093 3.203 ( -2.933 0.000 0.343) 2.953 3.289 ( 2.625 0.000 4.396) 5.120 3.487 ( -8.028 0.000 22.991) 24.352 3.535 ( -1.710 0.000 -1.983) 2.618 3.599 ( -0.826 0.000 3.324) 3.425 3.684 ( -0.060 0.000 -2.355) 2.356 3.701 ( 10.324 0.000 -28.599) 30.405 3.784 ( 3.765 0.000 2.510) 4.525 4.089 ( 1.336 0.000 -4.193) 4.401 4.129 ( 0.395 0.000 -0.120) 0.413 4.298 ( -1.534 0.000 -7.393) 7.551 4.364 ( -1.751 0.000 5.022) 5.318 4.419 ( -4.032 0.000 6.636) 7.765 4.610 ( -2.970 0.000 -3.951) 4.942 4.658 ( 0.462 0.000 -2.938) 2.974 4.797 ( -1.835 0.000 6.080) 6.351 4.933 ( 7.806 0.000 -1.485) 7.946 4.976 ( 13.730 0.000 13.609) 19.332 5.260 ( 1.024 0.000 -2.501) 2.703 5.282 ( 1.572 0.000 0.234) 1.589 5.503 ( -3.025 0.000 -1.492) 3.372 5.562 ( 3.720 0.000 6.916) 7.853 5.722 ( -1.838 0.000 -5.731) 6.019 5.830 ( 6.617 0.000 -3.483) 7.478 5.968 ( -6.210 0.000 -5.758) 8.469 6.135 ( -1.894 0.000 -13.813) 13.942 6.165 ( -9.553 0.000 -10.761) 14.390 6.294 ( 0.681 0.000 0.653) 0.944 6.351 ( -2.940 0.000 12.684) 13.020 6.461 ( -1.351 0.000 2.270) 2.641 6.520 ( 13.848 0.000 6.873) 15.459 6.720 ( -9.778 0.000 8.971) 13.270 6.833 ( 2.649 0.000 -2.810) 3.862 6.869 ( -2.521 0.000 -0.247) 2.533 6.994 ( 7.200 0.000 4.290) 8.381 7.028 ( -5.234 0.000 1.625) 5.480 7.222 ( 4.811 0.000 -5.618) 7.396 7.282 ( 1.587 0.000 5.050) 5.293 7.560 ( -2.183 0.000 2.769) 3.526 7.660 ( -10.399 0.000 -3.338) 10.921 7.686 ( -7.976 0.000 4.236) 9.031 7.805 ( -1.066 0.000 -4.309) 4.439 8.376 ( -0.969 0.000 -4.331) 4.439 8.394 ( -1.936 0.000 -1.005) 2.181 8.405 ( 0.362 0.000 7.332) 7.341 8.696 ( 14.090 0.000 5.375) 15.081 8.775 ( -7.334 0.000 1.866) 7.568 8.974 ( 3.999 0.000 -1.094) 4.146 9.080 ( 3.067 0.000 2.696) 4.083 9.159 ( 8.066 0.000 -4.049) 9.025 9.310 ( -0.242 0.000 1.983) 1.997 9.330 ( 0.506 0.000 -2.931) 2.974 9.741 ( -2.973 0.000 -3.020) 4.238 9.794 ( 1.288 0.000 -3.360) 3.599 9.929 ( -5.506 0.000 -0.180) 5.509 10.026 ( 0.147 0.000 3.085) 3.088 10.095 ( -1.968 0.000 -10.044) 10.235 10.202 ( 2.447 0.000 10.351) 10.636 10.670 ( -8.507 0.000 2.732) 8.935 10.838 ( 0.967 0.000 -2.755) 2.920 10.976 ( 0.532 0.000 8.782) 8.798 10.998 ( 1.083 0.000 -7.469) 7.547 11.174 ( -2.665 0.000 -7.726) 8.173 11.193 ( -7.069 0.000 1.511) 7.229 11.251 ( -2.511 0.000 -1.337) 2.845 11.492 ( 6.438 0.000 10.153) 12.023 11.862 ( -5.482 0.000 -1.476) 5.678 11.928 ( 0.707 0.000 0.120) 0.717 12.152 ( -2.608 0.000 -1.288) 2.909 12.287 ( -3.209 0.000 -0.853) 3.321 12.345 ( 5.613 0.000 -0.428) 5.629 12.418 ( 6.251 0.000 0.928) 6.320 12.721 ( -5.547 0.000 -1.208) 5.677 12.889 ( 4.577 0.000 2.147) 5.056 12.956 ( -2.820 0.000 0.626) 2.889 12.998 ( 0.856 0.000 -1.306) 1.562 13.344 ( -9.361 0.000 -5.208) 10.712 13.376 ( -7.050 0.000 3.911) 8.063 13.533 ( 5.084 0.000 -4.635) 6.880 13.663 ( 10.996 0.000 4.519) 11.888 13.998 ( -3.042 0.000 -9.415) 9.894 14.186 ( 7.161 0.000 10.862) 13.010 14.490 ( 1.208 0.000 0.899) 1.505 14.521 ( 2.531 0.000 0.912) 2.691 14.924 ( -2.725 0.000 -0.228) 2.735 14.976 ( -0.574 0.000 -7.419) 7.441 15.105 ( -2.286 0.000 2.148) 3.137 15.132 ( -2.378 0.000 1.573) 2.851 15.325 ( -2.462 0.000 -0.877) 2.613 15.452 ( 4.440 0.000 -0.159) 4.443 15.679 ( -7.767 0.000 1.748) 7.962 15.871 ( 3.047 0.000 -4.890) 5.761 16.319 ( 0.494 0.000 -3.071) 3.111 16.463 ( 6.998 0.000 9.638) 11.911 16.570 ( 2.405 0.000 -1.768) 2.985 16.706 ( 10.243 0.000 10.834) 14.909 16.996 ( -12.164 0.000 -9.316) 15.322 17.273 ( 2.644 0.000 0.731) 2.743 17.298 ( -4.562 0.000 -7.395) 8.689 17.515 ( 0.475 0.000 -2.419) 2.465 17.622 ( 5.264 0.000 0.482) 5.286 17.641 ( 12.049 0.000 16.819) 20.689 18.121 ( -0.321 0.000 -2.088) 2.113 18.133 ( 5.370 0.000 0.513) 5.395 18.402 ( 2.321 0.000 -0.137) 2.325 18.439 ( 3.786 0.000 2.897) 4.767 18.718 ( -8.053 0.000 -6.263) 10.201 18.933 ( 1.686 0.000 2.022) 2.633 18.985 ( -0.917 0.000 0.905) 1.289 19.091 ( 4.422 0.000 5.599) 7.134 19.154 ( -11.001 0.000 -14.726) 18.381 19.494 ( 6.269 0.000 5.946) 8.640 19.706 ( -11.168 0.000 -9.540) 14.688 19.863 ( 3.173 0.000 9.264) 9.793 19.872 ( -2.579 0.000 -2.675) 3.716 19.968 ( -15.308 0.000 -7.451) 17.025 20.013 ( 4.548 0.000 1.051) 4.667 20.153 ( -16.574 0.000 -20.380) 26.268 20.266 ( 6.867 0.000 5.847) 9.019 20.555 ( -2.749 0.000 -4.261) 5.070 20.674 ( 0.961 0.000 1.862) 2.095 20.974 ( 20.314 0.000 20.352) 28.756 21.612 ( -12.153 0.000 -12.603) 17.508 21.910 ( 4.735 0.000 4.403) 6.466 22.025 ( -3.036 0.000 -3.912) 4.952 22.125 ( 1.516 0.000 3.342) 3.670 22.202 ( -1.421 0.000 -4.740) 4.948 22.222 ( -1.861 0.000 -0.674) 1.980 22.343 ( 5.023 0.000 3.539) 6.144 22.416 ( 13.182 0.000 16.360) 21.010 22.812 ( -0.011 0.000 -5.661) 5.661 23.080 ( 17.031 0.000 19.141) 25.621 23.948 ( -18.507 0.000 -21.960) 28.718 24.483 ( 13.599 0.000 14.845) 20.132 25.282 ( -13.232 0.000 -13.915) 19.202 25.453 ( 1.088 0.000 2.248) 2.497 25.537 ( -8.799 0.000 -8.869) 12.494 25.654 ( -0.779 0.000 0.679) 1.033 26.061 ( 2.110 0.000 -2.873) 3.565 26.129 ( -5.670 0.000 6.772) 8.832 26.528 ( 5.584 0.000 8.904) 10.510 26.648 ( 8.804 0.000 4.675) 9.968 26.945 ( -6.517 0.000 0.320) 6.525 27.017 ( -3.893 0.000 -9.848) 10.590 27.157 ( -1.465 0.000 -6.893) 7.047 27.259 ( 2.739 0.000 1.992) 3.387 27.403 ( 1.733 0.000 5.537) 5.801 27.494 ( 7.988 0.000 4.602) 9.219 27.967 ( -6.754 0.000 -3.554) 7.632 28.120 ( 2.813 0.000 -0.990) 2.982 28.215 ( -1.101 0.000 1.759) 2.075 28.258 ( 1.015 0.000 0.744) 1.258 28.521 ( -18.408 0.000 -16.060) 24.429 28.694 ( -3.669 0.000 0.596) 3.717 28.851 ( 6.317 0.000 4.900) 7.995 28.945 ( 4.868 0.000 5.498) 7.343 29.095 ( -6.278 0.000 -6.207) 8.829 29.125 ( -14.157 0.000 -5.601) 15.224 29.308 ( 6.065 0.000 8.790) 10.680 29.495 ( 4.915 0.000 -0.104) 4.916 29.607 ( -3.199 0.000 -3.276) 4.578 29.803 ( 5.266 0.000 5.965) 7.957 29.887 ( -1.087 0.000 -3.689) 3.845 30.253 ( 19.563 0.000 -1.943) 19.659 30.942 ( -9.140 0.000 -6.834) 11.413 31.262 ( -7.725 0.000 -13.459) 15.519 31.341 ( 14.097 0.000 9.595) 17.053 31.612 ( 9.900 0.000 6.061) 11.608 31.749 ( -3.527 0.000 -5.279) 6.349 31.941 ( 7.161 0.000 5.567) 9.070 32.242 ( -4.712 0.000 -7.278) 8.670 32.364 ( -0.745 0.000 -1.255) 1.459 32.544 ( -0.299 0.000 -1.733) 1.758 32.598 ( 0.084 0.000 5.505) 5.506 32.829 ( -4.472 0.000 1.809) 4.824 32.932 ( 2.780 0.000 2.861) 3.990 33.237 ( -0.256 0.000 -2.447) 2.461 33.293 ( 2.228 0.000 2.564) 3.397 33.773 ( -21.059 0.000 -3.431) 21.336 34.523 ( 22.725 0.000 17.251) 28.531 38.378 ( -3.142 0.000 -0.960) 3.285 38.455 ( 0.536 0.000 -0.762) 0.931 38.592 ( -6.654 0.000 4.930) 8.282 38.778 ( 5.742 0.000 -4.421) 7.246 39.342 ( -0.110 0.000 -4.239) 4.240 39.387 ( 1.516 0.000 5.952) 6.142 39.780 ( -6.589 0.000 1.044) 6.671 39.970 ( 5.602 0.000 0.560) 5.630 41.239 ( -3.538 0.000 -4.378) 5.629 41.270 ( -7.456 0.000 -1.409) 7.588 41.291 ( 1.539 0.000 5.540) 5.750 41.644 ( 15.196 0.000 -10.135) 18.265 42.296 ( -1.076 0.000 -3.669) 3.823 42.378 ( 3.322 0.000 3.000) 4.476 43.618 ( -12.381 0.000 1.615) 12.485 43.658 ( -8.896 0.000 0.557) 8.914 ======================= Grid point 121 (55/84) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -15.614 0.000 -27.714) 31.810 2.017 ( 14.313 0.000 -23.865) 27.828 2.234 ( -4.997 0.000 -1.178) 5.133 2.554 ( 2.675 0.000 16.851) 17.062 2.817 ( -12.399 0.000 -2.755) 12.701 2.848 ( 13.284 0.000 -20.019) 24.025 3.088 ( -4.942 0.000 -0.191) 4.946 3.131 ( -8.175 0.000 8.974) 12.140 3.157 ( -6.993 0.000 1.596) 7.173 3.380 ( -0.319 0.000 0.439) 0.542 3.487 ( 12.372 0.000 -27.112) 29.802 3.497 ( -8.231 0.000 2.892) 8.724 3.500 ( -0.705 0.000 -1.882) 2.010 3.555 ( -3.074 0.000 -1.215) 3.305 3.738 ( 0.328 0.000 3.002) 3.020 3.830 ( -7.052 0.000 3.943) 8.079 4.060 ( 3.498 0.000 -3.142) 4.702 4.142 ( 0.193 0.000 2.155) 2.164 4.318 ( 4.215 0.000 5.557) 6.974 4.400 ( -3.202 0.000 6.831) 7.544 4.476 ( -0.777 0.000 3.743) 3.823 4.491 ( -5.391 0.000 -4.045) 6.740 4.658 ( 0.910 0.000 0.216) 0.935 4.852 ( -4.119 0.000 8.738) 9.660 5.034 ( 5.351 0.000 0.737) 5.401 5.252 ( -0.396 0.000 -4.436) 4.453 5.264 ( 3.226 0.000 -1.473) 3.547 5.345 ( -10.376 0.000 -8.189) 13.218 5.426 ( 17.961 0.000 20.213) 27.040 5.562 ( 1.237 0.000 -9.875) 9.952 5.705 ( 1.474 0.000 -0.952) 1.755 5.893 ( 5.715 0.000 -5.185) 7.717 5.916 ( 6.826 0.000 -3.750) 7.788 6.010 ( 5.597 0.000 -0.117) 5.598 6.063 ( 6.750 0.000 -2.315) 7.136 6.257 ( -2.723 0.000 -5.453) 6.095 6.467 ( -4.003 0.000 7.448) 8.456 6.521 ( 0.157 0.000 7.748) 7.750 6.536 ( -12.663 0.000 -10.951) 16.742 6.724 ( -8.423 0.000 11.559) 14.302 6.757 ( 2.591 0.000 4.291) 5.012 6.893 ( 1.047 0.000 0.735) 1.279 6.916 ( -15.024 0.000 5.037) 15.846 7.110 ( 2.004 0.000 -1.343) 2.412 7.282 ( -3.852 0.000 8.136) 9.001 7.305 ( 4.515 0.000 -0.431) 4.535 7.476 ( -8.692 0.000 0.146) 8.694 7.645 ( -4.005 0.000 4.876) 6.310 7.646 ( -5.008 0.000 -8.435) 9.810 7.811 ( 12.374 0.000 8.784) 15.175 8.257 ( -8.174 0.000 -6.697) 10.567 8.306 ( 3.887 0.000 -5.731) 6.925 8.476 ( -9.389 0.000 4.904) 10.592 8.770 ( 3.434 0.000 5.997) 6.910 8.895 ( 6.701 0.000 -3.176) 7.415 9.027 ( 1.277 0.000 1.097) 1.684 9.221 ( 2.795 0.000 6.912) 7.456 9.226 ( 7.407 0.000 -0.259) 7.411 9.290 ( 3.260 0.000 -2.987) 4.421 9.391 ( 5.781 0.000 6.614) 8.784 9.635 ( -1.884 0.000 -4.058) 4.474 9.787 ( 2.940 0.000 -1.098) 3.138 9.836 ( -7.285 0.000 -1.771) 7.498 9.954 ( -2.409 0.000 -6.426) 6.863 10.046 ( -1.109 0.000 -0.315) 1.153 10.320 ( -4.089 0.000 6.876) 8.000 10.580 ( -6.846 0.000 2.030) 7.140 10.793 ( -0.279 0.000 -4.038) 4.047 10.901 ( 1.419 0.000 -9.503) 9.608 10.999 ( -0.909 0.000 -6.737) 6.798 11.112 ( -3.160 0.000 0.214) 3.167 11.130 ( 2.236 0.000 3.432) 4.097 11.228 ( -5.228 0.000 2.469) 5.782 11.612 ( -3.549 0.000 -0.095) 3.550 11.772 ( -4.432 0.000 4.894) 6.602 11.942 ( 0.471 0.000 0.767) 0.901 12.169 ( 4.245 0.000 0.264) 4.253 12.265 ( -2.105 0.000 5.056) 5.477 12.412 ( 5.177 0.000 -1.502) 5.390 12.499 ( 3.556 0.000 0.533) 3.595 12.644 ( -3.783 0.000 0.437) 3.809 12.891 ( -5.065 0.000 -0.919) 5.148 12.966 ( 3.101 0.000 0.231) 3.109 13.002 ( 2.439 0.000 -1.828) 3.048 13.159 ( -7.380 0.000 -4.558) 8.674 13.306 ( -7.434 0.000 2.011) 7.702 13.562 ( 5.543 0.000 -2.112) 5.932 13.845 ( 8.703 0.000 0.655) 8.728 13.878 ( 0.727 0.000 -6.622) 6.662 14.429 ( 8.081 0.000 6.734) 10.519 14.515 ( -0.285 0.000 -0.267) 0.390 14.560 ( 1.301 0.000 0.138) 1.308 14.825 ( -2.922 0.000 -2.912) 4.125 14.875 ( -2.019 0.000 -1.218) 2.358 15.127 ( -2.082 0.000 -0.206) 2.092 15.173 ( 1.128 0.000 9.911) 9.975 15.332 ( -1.801 0.000 7.014) 7.242 15.496 ( 3.689 0.000 -0.053) 3.689 15.607 ( -4.712 0.000 1.552) 4.961 15.816 ( -0.760 0.000 -5.134) 5.190 16.332 ( 2.162 0.000 -2.314) 3.167 16.639 ( 5.072 0.000 1.578) 5.311 16.649 ( 2.937 0.000 5.036) 5.830 16.766 ( -2.801 0.000 -7.214) 7.739 16.946 ( 3.938 0.000 1.720) 4.297 17.161 ( -2.190 0.000 -6.894) 7.233 17.265 ( 1.346 0.000 -1.422) 1.958 17.533 ( 2.602 0.000 1.956) 3.255 17.713 ( 4.949 0.000 0.726) 5.002 17.988 ( 13.228 0.000 15.343) 20.258 18.065 ( -1.187 0.000 -2.466) 2.736 18.295 ( 1.518 0.000 -2.828) 3.210 18.475 ( 4.324 0.000 3.025) 5.277 18.500 ( 0.593 0.000 -3.584) 3.632 18.545 ( -5.471 0.000 -4.593) 7.144 18.767 ( 3.856 0.000 2.316) 4.498 19.001 ( -0.505 0.000 1.926) 1.991 19.092 ( -6.343 0.000 -4.939) 8.039 19.214 ( 1.667 0.000 4.257) 4.572 19.287 ( -10.550 0.000 -12.318) 16.219 19.465 ( -14.009 0.000 -12.636) 18.866 19.568 ( 0.724 0.000 0.565) 0.918 19.922 ( 1.895 0.000 3.107) 3.639 19.954 ( -3.018 0.000 -3.969) 4.986 19.971 ( 0.712 0.000 1.855) 1.987 20.081 ( 3.606 0.000 -0.441) 3.633 20.395 ( -2.711 0.000 -5.976) 6.563 20.457 ( 0.451 0.000 7.452) 7.465 20.722 ( 0.264 0.000 3.884) 3.893 21.345 ( 5.952 0.000 6.949) 9.150 21.347 ( -5.907 0.000 -6.478) 8.767 21.963 ( -0.695 0.000 -1.598) 1.743 21.978 ( 2.190 0.000 0.899) 2.367 22.140 ( 0.179 0.000 -3.733) 3.737 22.162 ( -0.724 0.000 1.794) 1.934 22.234 ( 0.512 0.000 2.262) 2.319 22.449 ( 5.027 0.000 1.449) 5.232 22.788 ( 3.479 0.000 -3.741) 5.109 22.888 ( 16.418 0.000 16.766) 23.466 23.390 ( -16.898 0.000 -18.439) 25.010 23.661 ( 18.683 0.000 18.913) 26.585 24.688 ( -22.407 0.000 -21.170) 30.826 24.761 ( 6.070 0.000 5.444) 8.154 25.431 ( -1.273 0.000 -1.059) 1.656 25.464 ( -2.067 0.000 1.054) 2.321 25.651 ( 0.345 0.000 0.657) 0.742 26.072 ( -7.273 0.000 5.360) 9.035 26.166 ( 6.286 0.000 5.293) 8.218 26.708 ( -3.732 0.000 2.842) 4.691 26.787 ( 1.121 0.000 -0.165) 1.133 26.874 ( 2.331 0.000 4.081) 4.700 26.897 ( 0.794 0.000 -0.366) 0.874 27.043 ( -0.237 0.000 -9.587) 9.590 27.332 ( 1.611 0.000 2.760) 3.196 27.357 ( -5.831 0.000 -2.886) 6.507 27.623 ( 3.740 0.000 0.820) 3.829 27.886 ( 0.294 0.000 -0.750) 0.806 28.115 ( 0.645 0.000 -1.951) 2.054 28.185 ( -2.165 0.000 -6.652) 6.995 28.256 ( 0.215 0.000 3.993) 3.999 28.310 ( -0.255 0.000 1.732) 1.751 28.678 ( -2.622 0.000 1.900) 3.238 28.917 ( -4.109 0.000 0.434) 4.132 28.937 ( 1.889 0.000 -0.719) 2.021 29.017 ( -1.382 0.000 1.258) 1.869 29.042 ( 0.633 0.000 2.289) 2.375 29.450 ( 2.321 0.000 2.588) 3.477 29.561 ( 0.928 0.000 -2.097) 2.293 29.561 ( 4.676 0.000 2.518) 5.311 29.856 ( 1.022 0.000 -1.889) 2.148 29.880 ( -3.693 0.000 -3.157) 4.858 30.398 ( 0.860 0.000 5.660) 5.725 30.768 ( -1.210 0.000 -3.943) 4.125 31.131 ( 6.988 0.000 -6.729) 9.701 31.596 ( 5.894 0.000 1.715) 6.139 31.663 ( -0.107 0.000 -4.468) 4.469 31.767 ( 8.908 0.000 1.834) 9.095 32.084 ( 3.466 0.000 2.648) 4.361 32.119 ( 1.286 0.000 -6.593) 6.717 32.230 ( -3.712 0.000 -6.712) 7.670 32.583 ( 0.456 0.000 2.260) 2.305 32.626 ( -2.430 0.000 2.173) 3.260 32.780 ( -5.186 0.000 1.815) 5.495 33.037 ( 3.759 0.000 5.660) 6.795 33.221 ( 1.570 0.000 -1.928) 2.487 33.318 ( -2.588 0.000 -1.427) 2.955 33.534 ( -8.544 0.000 0.927) 8.594 34.975 ( 6.716 0.000 13.973) 15.503 38.333 ( -2.168 0.000 -0.188) 2.176 38.369 ( -5.634 0.000 -4.980) 7.519 38.618 ( -1.415 0.000 6.771) 6.917 38.792 ( 3.800 0.000 -4.286) 5.728 39.306 ( 1.387 0.000 -3.027) 3.329 39.493 ( 1.493 0.000 6.965) 7.123 39.692 ( -5.667 0.000 -0.698) 5.710 40.047 ( 2.376 0.000 1.369) 2.742 41.075 ( -5.877 0.000 -5.337) 7.939 41.215 ( 2.880 0.000 -3.958) 4.895 41.352 ( -0.057 0.000 1.950) 1.950 41.720 ( 14.647 0.000 -11.675) 18.731 42.250 ( -0.045 0.000 -2.263) 2.263 42.453 ( 2.301 0.000 1.710) 2.867 43.452 ( -15.436 0.000 4.661) 16.124 43.477 ( -11.875 0.000 -3.184) 12.295 ======================= Grid point 122 (56/84) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 31.054 0.000 35.379) 47.075 2.018 ( 19.321 0.000 -16.121) 25.163 2.097 ( -0.310 0.000 -8.372) 8.378 2.459 ( -23.169 0.000 -1.604) 23.225 2.782 ( -1.460 0.000 4.044) 4.300 2.833 ( 12.940 0.000 -15.914) 20.510 2.967 ( -7.180 0.000 -6.885) 9.948 3.044 ( -3.851 0.000 1.301) 4.065 3.213 ( -0.495 0.000 5.272) 5.295 3.312 ( -4.423 0.000 -1.217) 4.587 3.353 ( 1.476 0.000 -4.452) 4.690 3.411 ( -9.498 0.000 2.897) 9.930 3.529 ( 4.047 0.000 -0.398) 4.067 3.535 ( 8.109 0.000 -2.335) 8.439 3.766 ( -3.679 0.000 0.755) 3.756 3.772 ( 3.293 0.000 -1.177) 3.498 4.065 ( 0.768 0.000 -4.901) 4.961 4.153 ( -2.837 0.000 -1.151) 3.061 4.337 ( -7.609 0.000 -1.253) 7.711 4.338 ( 1.882 0.000 1.233) 2.250 4.555 ( 2.301 0.000 7.106) 7.469 4.559 ( 0.128 0.000 11.126) 11.126 4.657 ( -0.920 0.000 -1.379) 1.658 4.900 ( -4.822 0.000 9.598) 10.741 5.051 ( 0.636 0.000 -1.403) 1.540 5.156 ( -3.311 0.000 -6.119) 6.958 5.186 ( 5.218 0.000 -7.420) 9.071 5.346 ( 4.302 0.000 3.308) 5.427 5.521 ( 5.084 0.000 -4.679) 6.909 5.557 ( -7.575 0.000 -9.065) 11.813 5.845 ( 2.788 0.000 -11.224) 11.565 5.897 ( -1.451 0.000 7.564) 7.702 6.037 ( 11.658 0.000 -0.666) 11.677 6.059 ( 3.907 0.000 -0.868) 4.002 6.206 ( 10.527 0.000 2.999) 10.946 6.212 ( 9.194 0.000 9.268) 13.055 6.406 ( -3.524 0.000 3.061) 4.668 6.449 ( -2.513 0.000 1.241) 2.803 6.600 ( -4.444 0.000 8.027) 9.175 6.712 ( -2.684 0.000 -7.162) 7.649 6.729 ( -6.715 0.000 6.809) 9.563 6.830 ( -11.893 0.000 12.795) 17.468 6.874 ( -1.077 0.000 -1.852) 2.142 7.064 ( -2.607 0.000 -5.179) 5.798 7.262 ( -11.163 0.000 1.165) 11.224 7.296 ( -2.827 0.000 -4.801) 5.572 7.425 ( -0.451 0.000 3.044) 3.077 7.517 ( 1.795 0.000 -2.096) 2.760 7.634 ( -1.911 0.000 -0.856) 2.094 7.869 ( -7.222 0.000 -11.655) 13.711 8.232 ( 5.500 0.000 9.560) 11.030 8.339 ( -7.871 0.000 2.977) 8.415 8.393 ( 8.431 0.000 -0.815) 8.471 8.813 ( 0.153 0.000 -13.521) 13.522 8.930 ( 1.184 0.000 10.543) 10.609 9.023 ( -1.807 0.000 0.889) 2.014 9.179 ( -3.773 0.000 -1.801) 4.181 9.374 ( 8.921 0.000 2.916) 9.386 9.480 ( 10.757 0.000 7.386) 13.049 9.578 ( 2.720 0.000 4.700) 5.430 9.625 ( 1.033 0.000 -4.064) 4.193 9.711 ( -1.971 0.000 5.935) 6.254 9.824 ( -2.632 0.000 0.436) 2.668 9.877 ( 0.794 0.000 -2.222) 2.360 9.997 ( -0.508 0.000 -2.576) 2.625 10.215 ( -13.082 0.000 -1.708) 13.193 10.533 ( -3.214 0.000 1.307) 3.470 10.745 ( 1.318 0.000 -5.683) 5.833 10.868 ( 7.735 0.000 -4.839) 9.123 10.931 ( 3.882 0.000 -6.923) 7.937 11.057 ( -5.660 0.000 -0.222) 5.665 11.157 ( -3.751 0.000 0.613) 3.801 11.184 ( -3.611 0.000 2.362) 4.315 11.482 ( -6.786 0.000 -4.540) 8.164 11.810 ( -0.167 0.000 4.660) 4.663 11.957 ( 0.136 0.000 0.509) 0.527 12.249 ( 3.322 0.000 3.991) 5.192 12.353 ( 1.484 0.000 7.709) 7.851 12.435 ( 1.576 0.000 -2.989) 3.379 12.536 ( 1.640 0.000 -0.514) 1.719 12.650 ( 1.129 0.000 3.700) 3.868 12.800 ( -4.110 0.000 -2.177) 4.651 12.977 ( -2.248 0.000 -4.691) 5.202 12.982 ( 0.253 0.000 -1.563) 1.583 13.072 ( 1.642 0.000 -0.248) 1.661 13.223 ( -6.151 0.000 0.552) 6.175 13.646 ( 6.416 0.000 1.453) 6.578 13.855 ( 1.556 0.000 -1.205) 1.968 13.923 ( 5.615 0.000 -3.200) 6.463 14.338 ( -8.103 0.000 -8.931) 12.059 14.567 ( 0.268 0.000 -0.169) 0.317 14.588 ( 2.851 0.000 1.428) 3.188 14.852 ( -0.601 0.000 1.015) 1.180 14.968 ( 7.256 0.000 8.621) 11.268 15.086 ( 1.654 0.000 2.040) 2.627 15.327 ( -1.215 0.000 11.712) 11.775 15.426 ( -2.264 0.000 11.996) 12.207 15.576 ( -2.226 0.000 1.042) 2.457 15.611 ( 7.876 0.000 5.526) 9.621 15.746 ( 1.012 0.000 -6.064) 6.148 16.272 ( -1.309 0.000 -7.587) 7.699 16.567 ( -10.110 0.000 -7.974) 12.877 16.632 ( -0.140 0.000 -2.313) 2.317 16.819 ( 7.535 0.000 2.108) 7.824 16.911 ( -2.374 0.000 -6.056) 6.505 17.103 ( 3.328 0.000 -1.300) 3.573 17.274 ( 0.417 0.000 -2.108) 2.149 17.599 ( 2.400 0.000 2.031) 3.144 17.745 ( 1.189 0.000 -2.664) 2.918 17.950 ( -17.966 0.000 -14.581) 23.139 18.057 ( 0.927 0.000 1.392) 1.672 18.282 ( -2.785 0.000 -7.577) 8.073 18.464 ( -0.683 0.000 -1.244) 1.419 18.598 ( 4.997 0.000 5.862) 7.703 18.615 ( 7.830 0.000 3.526) 8.587 18.668 ( 6.527 0.000 4.033) 7.673 18.989 ( -4.233 0.000 -0.575) 4.272 19.154 ( -5.805 0.000 -6.504) 8.718 19.197 ( -5.266 0.000 -2.770) 5.950 19.244 ( 12.354 0.000 16.267) 20.426 19.458 ( 16.354 0.000 13.547) 21.236 19.566 ( -0.738 0.000 -0.763) 1.061 19.871 ( -1.574 0.000 -2.712) 3.136 19.951 ( -1.498 0.000 -3.269) 3.595 20.043 ( 5.624 0.000 7.408) 9.301 20.076 ( -1.765 0.000 -4.723) 5.042 20.174 ( -8.684 0.000 -9.068) 12.556 20.606 ( 3.618 0.000 6.784) 7.689 20.765 ( -1.258 0.000 3.389) 3.614 21.316 ( -8.387 0.000 -8.508) 11.947 21.316 ( 5.226 0.000 3.292) 6.176 21.960 ( 1.224 0.000 0.344) 1.271 22.000 ( -0.267 0.000 -0.597) 0.653 22.112 ( 0.923 0.000 -2.020) 2.221 22.142 ( -3.175 0.000 -0.767) 3.266 22.281 ( 1.682 0.000 2.629) 3.121 22.486 ( -0.500 0.000 -2.777) 2.822 22.713 ( -16.723 0.000 -18.079) 24.627 22.803 ( 4.098 0.000 -2.773) 4.948 23.440 ( -18.319 0.000 -19.260) 26.581 23.645 ( 14.730 0.000 15.227) 21.186 24.763 ( -5.723 0.000 -5.345) 7.831 24.776 ( 22.057 0.000 23.239) 32.040 25.418 ( 0.024 0.000 -0.099) 0.102 25.434 ( -2.337 0.000 -0.260) 2.351 25.689 ( 2.299 0.000 1.502) 2.746 26.094 ( -3.908 0.000 10.245) 10.965 26.281 ( -0.601 0.000 4.484) 4.524 26.556 ( -9.176 0.000 -5.155) 10.525 26.697 ( -5.640 0.000 -11.724) 13.010 26.880 ( 9.163 0.000 3.089) 9.670 27.030 ( 2.781 0.000 8.582) 9.021 27.122 ( 7.181 0.000 5.590) 9.100 27.348 ( -1.339 0.000 -0.784) 1.551 27.358 ( 1.975 0.000 1.361) 2.398 27.618 ( -1.023 0.000 -4.238) 4.360 27.885 ( 1.412 0.000 0.720) 1.585 28.092 ( -0.625 0.000 -2.525) 2.602 28.215 ( 8.076 0.000 5.371) 9.699 28.298 ( -0.339 0.000 2.530) 2.552 28.328 ( -0.721 0.000 1.298) 1.485 28.642 ( -3.188 0.000 0.484) 3.224 28.897 ( -3.964 0.000 -5.837) 7.056 28.967 ( 2.912 0.000 4.248) 5.151 29.013 ( -1.433 0.000 -0.408) 1.490 29.150 ( 2.315 0.000 17.015) 17.172 29.418 ( -7.637 0.000 -6.899) 10.292 29.569 ( 2.454 0.000 -0.636) 2.535 29.624 ( 0.147 0.000 -7.648) 7.650 29.697 ( -4.011 0.000 -0.653) 4.063 29.889 ( 4.056 0.000 2.830) 4.946 30.400 ( -0.223 0.000 1.526) 1.542 30.978 ( 13.295 0.000 11.442) 17.541 31.177 ( 7.037 0.000 -1.682) 7.235 31.506 ( -5.595 0.000 -11.406) 12.704 31.654 ( 3.472 0.000 0.763) 3.555 31.925 ( 5.380 0.000 -0.171) 5.383 32.031 ( -4.670 0.000 -3.456) 5.810 32.122 ( 6.732 0.000 -3.533) 7.602 32.207 ( 2.220 0.000 -1.305) 2.575 32.575 ( -2.014 0.000 -0.873) 2.195 32.597 ( -3.406 0.000 0.377) 3.426 32.756 ( -1.904 0.000 3.859) 4.304 33.136 ( 0.918 0.000 -4.418) 4.513 33.190 ( -5.213 0.000 1.690) 5.480 33.222 ( 1.066 0.000 -1.360) 1.728 33.554 ( -1.228 0.000 10.934) 11.003 34.927 ( -15.854 0.000 -10.972) 19.280 38.249 ( -0.789 0.000 -4.376) 4.446 38.306 ( -1.152 0.000 -0.593) 1.296 38.682 ( -0.999 0.000 5.727) 5.813 38.784 ( 2.027 0.000 -3.562) 4.098 39.312 ( 2.891 0.000 -0.714) 2.977 39.544 ( -5.460 0.000 1.228) 5.596 39.656 ( 1.762 0.000 3.878) 4.259 40.030 ( -3.861 0.000 -2.541) 4.623 41.043 ( 3.764 0.000 2.912) 4.759 41.246 ( 5.119 0.000 -0.309) 5.128 41.337 ( -2.257 0.000 -1.325) 2.617 41.764 ( 14.400 0.000 -16.161) 21.646 42.248 ( 0.844 0.000 1.547) 1.762 42.468 ( -0.988 0.000 -1.267) 1.607 43.300 ( -15.129 0.000 6.574) 16.496 43.315 ( -2.456 0.000 -4.048) 4.735 ======================= Grid point 123 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 1.860 0.000 18.293) 18.387 2.029 ( -6.200 0.000 -9.785) 11.584 2.132 ( -14.415 0.000 1.559) 14.499 2.228 ( 25.151 0.000 -1.950) 25.227 2.597 ( -20.946 0.000 4.924) 21.517 2.734 ( 4.937 0.000 -5.383) 7.304 2.937 ( -12.532 0.000 -4.021) 13.161 3.030 ( 22.546 0.000 -15.262) 27.226 3.204 ( -0.541 0.000 1.996) 2.068 3.240 ( -3.767 0.000 -1.021) 3.903 3.386 ( -2.175 0.000 5.448) 5.866 3.448 ( 4.246 0.000 2.402) 4.878 3.616 ( 2.006 0.000 0.258) 2.022 3.629 ( 5.181 0.000 1.050) 5.286 3.757 ( 0.815 0.000 1.662) 1.851 3.789 ( -0.170 0.000 -0.693) 0.714 3.957 ( -9.898 0.000 -5.727) 11.435 4.000 ( 6.352 0.000 -7.808) 10.066 4.328 ( 1.897 0.000 5.015) 5.362 4.471 ( -1.346 0.000 -5.274) 5.443 4.525 ( 1.684 0.000 9.912) 10.054 4.668 ( 2.878 0.000 2.974) 4.139 4.795 ( 7.736 0.000 10.657) 13.169 4.940 ( -8.564 0.000 6.974) 11.045 4.987 ( -6.501 0.000 -5.968) 8.825 5.125 ( 5.434 0.000 -1.511) 5.641 5.185 ( 7.347 0.000 -2.157) 7.657 5.332 ( -6.528 0.000 -9.414) 11.456 5.435 ( 1.175 0.000 4.475) 4.627 5.620 ( 11.468 0.000 1.194) 11.530 5.650 ( -6.893 0.000 -10.318) 12.409 5.708 ( -7.702 0.000 -10.892) 13.340 6.138 ( 2.007 0.000 -1.102) 2.290 6.148 ( 3.565 0.000 -1.826) 4.005 6.343 ( -1.982 0.000 6.595) 6.887 6.346 ( -10.097 0.000 5.506) 11.500 6.538 ( 13.525 0.000 0.835) 13.551 6.549 ( 2.735 0.000 3.024) 4.077 6.637 ( -5.690 0.000 11.556) 12.881 6.703 ( 14.916 0.000 3.713) 15.372 6.724 ( -7.884 0.000 4.162) 8.915 6.811 ( -0.048 0.000 -4.403) 4.403 6.814 ( -4.182 0.000 9.259) 10.160 6.978 ( -3.584 0.000 -6.601) 7.511 7.136 ( -4.293 0.000 -3.057) 5.271 7.152 ( 0.183 0.000 -6.404) 6.407 7.460 ( 2.398 0.000 0.179) 2.404 7.488 ( -5.941 0.000 -4.422) 7.406 7.610 ( 0.569 0.000 -0.398) 0.694 7.648 ( -1.196 0.000 -3.848) 4.029 8.308 ( -1.703 0.000 5.577) 5.831 8.360 ( 0.246 0.000 1.597) 1.615 8.532 ( 4.944 0.000 2.298) 5.452 8.657 ( -1.041 0.000 -9.508) 9.565 9.011 ( -1.883 0.000 2.860) 3.425 9.014 ( -0.212 0.000 0.935) 0.959 9.180 ( 0.019 0.000 9.236) 9.236 9.395 ( -5.836 0.000 -7.871) 9.799 9.589 ( 11.412 0.000 1.753) 11.546 9.652 ( -6.845 0.000 -3.899) 7.877 9.704 ( 0.816 0.000 6.169) 6.223 9.762 ( 4.593 0.000 5.931) 7.502 9.848 ( 1.103 0.000 -2.569) 2.796 9.859 ( 1.464 0.000 5.097) 5.302 9.983 ( -10.089 0.000 -3.341) 10.628 10.027 ( 5.254 0.000 -2.566) 5.847 10.540 ( 0.382 0.000 4.500) 4.516 10.660 ( -3.006 0.000 -6.224) 6.911 10.902 ( -2.345 0.000 -3.053) 3.850 10.912 ( 1.267 0.000 -3.826) 4.030 11.015 ( 2.417 0.000 2.701) 3.624 11.087 ( -0.338 0.000 -3.177) 3.195 11.216 ( 3.217 0.000 4.473) 5.509 11.322 ( -5.889 0.000 -5.390) 7.983 11.882 ( 1.944 0.000 3.974) 4.424 11.946 ( -0.873 0.000 -1.665) 1.880 12.344 ( 1.768 0.000 3.785) 4.177 12.400 ( -1.691 0.000 -2.201) 2.776 12.458 ( -0.246 0.000 6.320) 6.325 12.543 ( 1.048 0.000 -1.666) 1.968 12.709 ( -0.144 0.000 2.206) 2.211 12.744 ( 0.176 0.000 -1.272) 1.285 12.917 ( 1.639 0.000 -1.570) 2.270 12.937 ( -1.691 0.000 -3.270) 3.681 13.131 ( 5.320 0.000 0.391) 5.335 13.142 ( -5.080 0.000 -0.474) 5.102 13.764 ( 5.266 0.000 2.993) 6.057 13.816 ( -4.913 0.000 -1.933) 5.280 14.007 ( 8.026 0.000 1.769) 8.219 14.111 ( -8.589 0.000 -7.379) 11.323 14.583 ( 1.186 0.000 1.244) 1.719 14.601 ( -1.503 0.000 -0.322) 1.537 14.868 ( -0.976 0.000 2.854) 3.016 14.964 ( 1.090 0.000 -5.489) 5.596 15.366 ( 6.585 0.000 14.859) 16.253 15.420 ( -2.937 0.000 8.701) 9.184 15.548 ( 3.908 0.000 -1.827) 4.314 15.586 ( -2.164 0.000 14.095) 14.261 15.631 ( -4.527 0.000 -7.988) 9.181 15.795 ( 6.982 0.000 -2.522) 7.424 16.194 ( 5.132 0.000 -2.527) 5.720 16.286 ( -10.939 0.000 -9.284) 14.348 16.649 ( 3.775 0.000 1.099) 3.931 16.734 ( -8.146 0.000 -6.934) 10.697 16.981 ( 7.033 0.000 8.495) 11.029 17.183 ( -4.584 0.000 -8.330) 9.508 17.236 ( 9.516 0.000 6.781) 11.684 17.474 ( -13.940 0.000 -14.846) 20.365 17.684 ( -1.486 0.000 1.592) 2.178 17.716 ( 0.054 0.000 -1.984) 1.985 18.084 ( 0.253 0.000 -0.470) 0.533 18.105 ( -0.773 0.000 -4.640) 4.704 18.497 ( 3.360 0.000 3.414) 4.790 18.580 ( -4.306 0.000 -3.412) 5.493 18.751 ( 4.307 0.000 6.668) 7.938 18.856 ( 1.118 0.000 -1.266) 1.689 18.959 ( -0.737 0.000 0.116) 0.746 19.041 ( -6.186 0.000 -5.736) 8.436 19.317 ( 14.592 0.000 13.652) 19.983 19.509 ( -4.336 0.000 -4.512) 6.257 19.526 ( 11.396 0.000 10.889) 15.762 19.769 ( -15.769 0.000 -10.855) 19.144 19.821 ( 1.426 0.000 2.630) 2.992 19.892 ( 6.401 0.000 8.321) 10.498 19.902 ( -0.766 0.000 -6.198) 6.245 20.052 ( -1.574 0.000 -6.348) 6.540 20.379 ( 19.077 0.000 20.951) 28.335 20.709 ( 1.144 0.000 1.417) 1.822 20.765 ( -1.996 0.000 0.918) 2.196 20.901 ( -18.942 0.000 -20.584) 27.973 21.603 ( 16.828 0.000 14.848) 22.442 21.897 ( -9.949 0.000 -9.052) 13.451 22.009 ( 3.357 0.000 2.321) 4.082 22.069 ( -3.198 0.000 -2.541) 4.085 22.125 ( 2.950 0.000 0.988) 3.111 22.259 ( -13.411 0.000 -13.715) 19.182 22.348 ( 3.010 0.000 2.981) 4.236 22.411 ( -5.182 0.000 -3.460) 6.231 22.840 ( 4.609 0.000 -0.515) 4.638 22.920 ( -11.261 0.000 -10.366) 15.305 24.180 ( 18.640 0.000 18.214) 26.062 24.496 ( -15.078 0.000 -12.013) 19.278 25.324 ( 11.407 0.000 10.907) 15.782 25.399 ( -1.651 0.000 -0.881) 1.872 25.465 ( 7.548 0.000 6.505) 9.964 25.667 ( -4.415 0.000 -7.736) 8.907 26.186 ( -4.090 0.000 13.108) 13.731 26.292 ( -1.789 0.000 2.634) 3.184 26.397 ( -3.562 0.000 -2.131) 4.150 26.517 ( 1.369 0.000 -11.546) 11.627 27.117 ( 12.231 0.000 5.920) 13.589 27.118 ( -5.736 0.000 5.546) 7.979 27.247 ( -1.776 0.000 3.273) 3.724 27.298 ( 0.730 0.000 -3.163) 3.246 27.374 ( 3.156 0.000 1.178) 3.369 27.498 ( -5.046 0.000 -7.625) 9.143 27.940 ( 2.139 0.000 2.824) 3.542 28.025 ( -2.119 0.000 -4.713) 5.167 28.316 ( 0.200 0.000 1.141) 1.159 28.320 ( -1.209 0.000 0.614) 1.356 28.574 ( 14.977 0.000 16.677) 22.415 28.654 ( 4.518 0.000 6.179) 7.654 28.735 ( -4.385 0.000 -6.246) 7.631 29.004 ( -10.211 0.000 -7.199) 12.493 29.038 ( -7.984 0.000 -10.570) 13.247 29.042 ( 2.744 0.000 0.150) 2.748 29.373 ( -2.014 0.000 14.878) 15.014 29.566 ( 3.184 0.000 -5.168) 6.070 29.616 ( 3.087 0.000 1.695) 3.522 29.662 ( -2.685 0.000 -1.437) 3.045 30.068 ( 5.078 0.000 14.030) 14.920 30.432 ( 6.225 0.000 -11.322) 12.920 31.092 ( 5.423 0.000 -2.317) 5.897 31.241 ( -8.177 0.000 -12.561) 14.988 31.494 ( 12.613 0.000 18.745) 22.594 31.781 ( 5.619 0.000 7.255) 9.176 31.799 ( -9.917 0.000 -9.397) 13.661 31.948 ( -3.861 0.000 -6.832) 7.847 32.177 ( -2.791 0.000 -2.441) 3.708 32.182 ( 5.412 0.000 -2.329) 5.891 32.551 ( -2.993 0.000 0.289) 3.007 32.560 ( 1.910 0.000 -0.396) 1.951 32.826 ( 2.662 0.000 6.213) 6.760 32.966 ( -5.391 0.000 -7.712) 9.409 33.219 ( 0.073 0.000 -0.206) 0.218 33.230 ( 1.333 0.000 0.345) 1.377 33.781 ( 1.507 0.000 27.364) 27.405 34.406 ( -16.440 0.000 -26.773) 31.418 38.242 ( 2.361 0.000 -0.038) 2.362 38.276 ( -0.849 0.000 -2.273) 2.427 38.723 ( -1.256 0.000 3.324) 3.554 38.767 ( 0.703 0.000 -2.096) 2.211 39.376 ( 4.476 0.000 2.532) 5.143 39.441 ( -5.718 0.000 -2.531) 6.253 39.770 ( 3.256 0.000 6.946) 7.671 39.912 ( -3.913 0.000 -5.879) 7.063 41.170 ( 2.399 0.000 7.130) 7.522 41.266 ( -3.910 0.000 -2.476) 4.628 41.352 ( 3.433 0.000 6.455) 7.311 41.698 ( 10.058 0.000 -23.778) 25.818 42.314 ( 2.387 0.000 4.765) 5.329 42.404 ( -3.022 0.000 -3.420) 4.564 43.189 ( -12.497 0.000 8.068) 14.875 43.309 ( 6.777 0.000 -3.146) 7.472 ======================= Grid point 124 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -24.803 0.000 9.018) 26.391 1.745 ( -35.276 0.000 2.085) 35.337 1.941 ( 5.785 0.000 -11.919) 13.248 2.440 ( 14.869 0.000 1.538) 14.949 2.476 ( -37.581 0.000 -0.094) 37.581 2.730 ( 13.805 0.000 8.618) 16.274 2.947 ( 21.023 0.000 -0.776) 21.038 3.099 ( 5.790 0.000 -5.316) 7.860 3.198 ( -2.022 0.000 0.770) 2.163 3.276 ( 3.768 0.000 3.489) 5.135 3.388 ( -5.108 0.000 2.490) 5.683 3.475 ( 5.798 0.000 -5.259) 7.828 3.563 ( -5.948 0.000 -2.232) 6.353 3.583 ( -2.812 0.000 -2.255) 3.604 3.767 ( 0.150 0.000 -1.423) 1.431 3.818 ( 3.308 0.000 0.174) 3.313 3.947 ( 6.617 0.000 2.139) 6.954 4.117 ( 11.922 0.000 -0.083) 11.922 4.378 ( 2.942 0.000 -5.240) 6.009 4.477 ( 6.617 0.000 8.004) 10.385 4.562 ( -7.023 0.000 -18.132) 19.444 4.620 ( -2.750 0.000 3.122) 4.161 4.782 ( -2.321 0.000 1.566) 2.800 5.011 ( -4.067 0.000 8.544) 9.462 5.019 ( 4.242 0.000 4.991) 6.551 5.111 ( 6.084 0.000 -7.313) 9.513 5.119 ( -5.519 0.000 -10.980) 12.289 5.390 ( 10.611 0.000 6.005) 12.192 5.441 ( -9.488 0.000 -4.314) 10.422 5.525 ( -0.642 0.000 -7.665) 7.692 5.542 ( -0.719 0.000 12.140) 12.162 5.834 ( 10.105 0.000 6.185) 11.847 6.072 ( -9.003 0.000 -4.036) 9.866 6.140 ( 1.456 0.000 -3.143) 3.463 6.226 ( -12.451 0.000 2.084) 12.624 6.396 ( -0.154 0.000 6.854) 6.856 6.512 ( -13.427 0.000 -9.814) 16.631 6.530 ( 3.661 0.000 -6.411) 7.383 6.656 ( -0.753 0.000 -2.569) 2.677 6.754 ( -2.853 0.000 -5.869) 6.526 6.793 ( 9.661 0.000 3.899) 10.419 6.846 ( 5.257 0.000 -2.665) 5.894 6.905 ( -2.699 0.000 9.186) 9.574 6.984 ( 13.417 0.000 0.641) 13.432 7.118 ( 3.467 0.000 8.505) 9.184 7.170 ( 2.458 0.000 1.605) 2.935 7.410 ( -1.919 0.000 2.925) 3.498 7.545 ( 5.285 0.000 0.650) 5.325 7.647 ( 3.188 0.000 -2.519) 4.063 7.660 ( 5.825 0.000 4.954) 7.647 8.350 ( 0.339 0.000 -0.491) 0.596 8.389 ( 2.389 0.000 0.243) 2.402 8.508 ( -4.450 0.000 -8.083) 9.227 8.548 ( -5.963 0.000 5.939) 8.416 9.019 ( 0.243 0.000 1.358) 1.379 9.061 ( 4.150 0.000 1.192) 4.318 9.227 ( -3.652 0.000 -7.959) 8.757 9.366 ( 1.831 0.000 14.431) 14.547 9.442 ( -9.283 0.000 -4.012) 10.113 9.613 ( -9.377 0.000 -4.540) 10.419 9.739 ( -1.676 0.000 -6.324) 6.542 9.803 ( 1.223 0.000 5.055) 5.201 9.823 ( 2.729 0.000 -0.001) 2.729 9.880 ( -1.805 0.000 -4.793) 5.122 9.969 ( 0.050 0.000 1.041) 1.042 10.152 ( 15.226 0.000 2.281) 15.396 10.560 ( -0.687 0.000 -2.064) 2.176 10.617 ( -1.340 0.000 6.223) 6.366 10.828 ( -4.573 0.000 2.054) 5.013 10.835 ( -6.885 0.000 -1.956) 7.157 11.093 ( 6.029 0.000 -3.911) 7.186 11.124 ( 6.380 0.000 3.484) 7.269 11.232 ( 1.030 0.000 -1.958) 2.212 11.369 ( 7.379 0.000 5.817) 9.396 11.895 ( -1.060 0.000 -3.625) 3.776 11.941 ( 0.570 0.000 1.927) 2.010 12.325 ( -4.261 0.000 -2.723) 5.057 12.382 ( -1.647 0.000 2.563) 3.046 12.495 ( -2.056 0.000 3.449) 4.016 12.499 ( -1.559 0.000 -5.238) 5.465 12.736 ( 1.550 0.000 3.021) 3.396 12.737 ( 0.272 0.000 -3.476) 3.487 12.904 ( 1.300 0.000 0.671) 1.463 12.960 ( 2.741 0.000 0.664) 2.820 13.074 ( -2.848 0.000 -0.435) 2.881 13.226 ( 7.354 0.000 -0.004) 7.354 13.689 ( -8.115 0.000 -2.363) 8.452 13.850 ( 0.748 0.000 2.857) 2.953 13.911 ( -7.449 0.000 -5.706) 9.383 14.177 ( 8.307 0.000 5.895) 10.186 14.566 ( -1.928 0.000 -0.047) 1.929 14.601 ( -1.180 0.000 0.076) 1.182 14.914 ( 0.747 0.000 5.416) 5.467 14.920 ( 1.660 0.000 -5.027) 5.294 15.361 ( -10.979 0.000 -14.934) 18.535 15.462 ( -3.138 0.000 4.999) 5.903 15.505 ( -1.034 0.000 0.488) 1.143 15.564 ( -0.375 0.000 5.370) 5.384 15.725 ( -1.719 0.000 0.353) 1.755 15.777 ( 6.675 0.000 -11.853) 13.603 16.121 ( -1.384 0.000 2.683) 3.019 16.385 ( 12.555 0.000 7.561) 14.656 16.588 ( -4.725 0.000 0.362) 4.739 16.766 ( 4.540 0.000 6.604) 8.014 16.953 ( -8.274 0.000 -10.595) 13.443 17.164 ( -8.842 0.000 -7.210) 11.409 17.176 ( 3.818 0.000 7.006) 7.979 17.529 ( 8.904 0.000 11.159) 14.276 17.689 ( -1.135 0.000 1.993) 2.294 17.737 ( 7.061 0.000 3.148) 7.731 18.082 ( 1.002 0.000 3.794) 3.924 18.094 ( 1.354 0.000 -1.497) 2.018 18.469 ( -3.546 0.000 -1.930) 4.037 18.576 ( -1.497 0.000 2.052) 2.540 18.746 ( -5.098 0.000 -7.512) 9.079 18.860 ( 2.991 0.000 1.402) 3.304 18.978 ( 2.222 0.000 0.738) 2.341 19.093 ( 8.072 0.000 6.467) 10.343 19.196 ( -18.264 0.000 -14.482) 23.309 19.487 ( -5.842 0.000 -7.992) 9.900 19.523 ( 2.930 0.000 3.942) 4.911 19.828 ( -8.751 0.000 -13.286) 15.909 19.861 ( 0.648 0.000 4.106) 4.157 19.865 ( -4.466 0.000 -5.288) 6.921 19.897 ( 13.010 0.000 11.574) 17.413 20.026 ( 3.351 0.000 5.465) 6.410 20.284 ( -17.243 0.000 -17.222) 24.371 20.699 ( -1.872 0.000 -1.614) 2.472 20.804 ( 2.893 0.000 0.289) 2.907 20.985 ( 17.917 0.000 20.900) 27.528 21.503 ( -14.240 0.000 -14.225) 20.128 21.950 ( 6.087 0.000 5.451) 8.171 21.985 ( -2.720 0.000 -2.161) 3.474 22.096 ( -2.160 0.000 -0.754) 2.288 22.102 ( 4.435 0.000 2.650) 5.166 22.328 ( 11.355 0.000 12.422) 16.829 22.328 ( -2.584 0.000 -1.838) 3.171 22.460 ( 7.301 0.000 5.693) 9.258 22.770 ( -4.918 0.000 -0.338) 4.930 23.010 ( 15.123 0.000 12.358) 19.530 24.052 ( -20.535 0.000 -17.379) 26.902 24.587 ( 11.694 0.000 11.391) 16.325 25.244 ( -16.511 0.000 -17.790) 24.272 25.418 ( 2.167 0.000 1.140) 2.449 25.436 ( -2.889 0.000 -3.516) 4.551 25.673 ( 2.723 0.000 3.221) 4.218 26.287 ( -1.911 0.000 8.814) 9.019 26.300 ( 1.545 0.000 -4.891) 5.130 26.441 ( 5.084 0.000 6.719) 8.426 26.489 ( 8.529 0.000 -1.197) 8.612 26.974 ( -12.557 0.000 -3.029) 12.917 27.161 ( -5.430 0.000 -3.316) 6.363 27.273 ( -5.923 0.000 -7.425) 9.499 27.325 ( 7.677 0.000 1.493) 7.821 27.361 ( 1.451 0.000 -0.510) 1.538 27.493 ( 3.194 0.000 6.770) 7.485 27.936 ( -2.240 0.000 -3.800) 4.411 28.018 ( 2.241 0.000 4.228) 4.785 28.315 ( -0.209 0.000 0.440) 0.487 28.337 ( 0.974 0.000 0.521) 1.104 28.503 ( -15.787 0.000 -19.547) 25.126 28.673 ( 0.933 0.000 -2.799) 2.950 28.754 ( 6.231 0.000 6.815) 9.234 29.013 ( -1.771 0.000 -0.866) 1.972 29.045 ( 0.701 0.000 -2.230) 2.338 29.131 ( 19.521 0.000 18.128) 26.640 29.466 ( -2.351 0.000 7.063) 7.444 29.532 ( 2.156 0.000 -7.871) 8.161 29.599 ( -0.627 0.000 -5.563) 5.599 29.687 ( 2.784 0.000 1.902) 3.372 30.169 ( -4.775 0.000 -29.363) 29.748 30.299 ( 1.687 0.000 12.307) 12.423 31.017 ( -6.752 0.000 -4.130) 7.915 31.251 ( 7.571 0.000 10.642) 13.061 31.446 ( -15.407 0.000 -16.630) 22.670 31.758 ( -6.871 0.000 -8.004) 10.548 31.819 ( 4.596 0.000 10.215) 11.202 31.944 ( 3.942 0.000 5.844) 7.049 32.086 ( -6.349 0.000 -0.688) 6.386 32.199 ( 0.533 0.000 -1.588) 1.675 32.543 ( 0.818 0.000 1.820) 1.995 32.603 ( 3.954 0.000 -0.314) 3.967 32.836 ( -1.931 0.000 -3.982) 4.426 32.970 ( 3.784 0.000 8.007) 8.856 33.224 ( 1.201 0.000 -0.082) 1.204 33.228 ( 0.089 0.000 -1.744) 1.747 33.916 ( -8.514 0.000 -21.294) 22.933 34.330 ( 13.277 0.000 43.820) 45.787 38.223 ( -1.578 0.000 -2.608) 3.048 38.284 ( 2.217 0.000 0.963) 2.417 38.732 ( -1.766 0.000 1.944) 2.627 38.753 ( 0.113 0.000 -1.324) 1.328 39.336 ( -4.076 0.000 -2.462) 4.762 39.495 ( 5.760 0.000 4.157) 7.103 39.784 ( -3.025 0.000 -6.698) 7.349 39.919 ( 4.788 0.000 7.673) 9.045 41.171 ( -4.411 0.000 -3.165) 5.429 41.270 ( 0.787 0.000 5.531) 5.587 41.446 ( -0.954 0.000 -26.735) 26.752 41.465 ( -2.516 0.000 9.334) 9.667 42.316 ( -2.408 0.000 -3.715) 4.428 42.412 ( 2.656 0.000 4.075) 4.864 43.163 ( -5.937 0.000 10.539) 12.096 43.401 ( 10.533 0.000 -2.965) 10.943 ======================= Grid point 125 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -46.793 0.000 -34.063) 57.878 1.483 ( -30.239 0.000 22.875) 37.917 2.023 ( -28.253 0.000 41.864) 50.505 2.200 ( 1.213 0.000 2.295) 2.596 2.712 ( 13.916 0.000 2.960) 14.228 2.850 ( 0.843 0.000 -5.857) 5.917 3.102 ( 1.783 0.000 -1.488) 2.322 3.170 ( 0.968 0.000 1.795) 2.040 3.213 ( 4.161 0.000 2.349) 4.778 3.345 ( 1.796 0.000 -4.933) 5.250 3.354 ( 1.171 0.000 2.246) 2.533 3.492 ( 1.002 0.000 -1.712) 1.984 3.523 ( 1.013 0.000 -3.361) 3.510 3.597 ( 14.976 0.000 -1.565) 15.057 3.770 ( 3.302 0.000 -1.527) 3.638 3.860 ( 5.940 0.000 -2.718) 6.532 4.031 ( -0.807 0.000 0.558) 0.981 4.197 ( 2.471 0.000 -2.676) 3.642 4.335 ( 0.228 0.000 -1.430) 1.448 4.466 ( 9.285 0.000 0.268) 9.289 4.568 ( -1.709 0.000 -3.943) 4.297 4.618 ( -0.098 0.000 -0.594) 0.603 4.740 ( 1.979 0.000 -15.035) 15.165 5.024 ( -7.715 0.000 4.349) 8.856 5.028 ( 3.061 0.000 -6.391) 7.086 5.064 ( 8.369 0.000 11.856) 14.512 5.173 ( 4.213 0.000 1.640) 4.521 5.288 ( -6.152 0.000 -1.521) 6.337 5.449 ( -3.613 0.000 0.327) 3.628 5.578 ( 1.508 0.000 6.292) 6.470 5.657 ( -1.007 0.000 11.645) 11.689 5.863 ( -10.058 0.000 -0.761) 10.087 5.897 ( -19.130 0.000 -15.001) 24.310 6.055 ( -9.893 0.000 -1.495) 10.005 6.076 ( 8.270 0.000 2.486) 8.636 6.222 ( -1.242 0.000 -9.058) 9.143 6.426 ( -1.126 0.000 0.822) 1.394 6.546 ( 5.507 0.000 -3.392) 6.467 6.685 ( 0.906 0.000 -4.141) 4.239 6.725 ( 5.466 0.000 6.129) 8.212 6.869 ( -0.896 0.000 2.008) 2.199 6.887 ( 4.759 0.000 -5.884) 7.567 7.045 ( 7.323 0.000 -5.937) 9.427 7.051 ( 2.009 0.000 6.041) 6.367 7.259 ( 0.909 0.000 4.562) 4.652 7.411 ( 11.248 0.000 12.931) 17.138 7.468 ( 5.023 0.000 2.409) 5.571 7.544 ( 5.206 0.000 -10.135) 11.394 7.674 ( 2.925 0.000 0.208) 2.932 7.855 ( 2.913 0.000 6.170) 6.823 8.255 ( -3.891 0.000 -8.553) 9.396 8.271 ( -8.644 0.000 -2.228) 8.926 8.503 ( 12.349 0.000 -0.043) 12.349 8.655 ( -3.325 0.000 15.578) 15.929 8.997 ( -4.831 0.000 -12.891) 13.767 9.043 ( 0.442 0.000 0.521) 0.684 9.189 ( 2.184 0.000 4.106) 4.651 9.280 ( -6.730 0.000 -2.022) 7.027 9.411 ( -7.418 0.000 -7.329) 10.428 9.528 ( -1.033 0.000 6.406) 6.489 9.593 ( -7.162 0.000 -9.865) 12.190 9.791 ( -5.941 0.000 -0.107) 5.942 9.815 ( 6.131 0.000 -2.079) 6.474 9.848 ( 0.043 0.000 3.209) 3.210 10.009 ( 1.641 0.000 1.865) 2.484 10.397 ( 12.215 0.000 0.355) 12.220 10.602 ( 5.193 0.000 1.523) 5.412 10.664 ( -1.913 0.000 7.677) 7.912 10.738 ( -3.851 0.000 2.418) 4.547 10.825 ( -2.815 0.000 5.816) 6.462 11.132 ( 3.515 0.000 -1.584) 3.856 11.224 ( 4.036 0.000 -2.801) 4.912 11.274 ( 6.041 0.000 -1.613) 6.252 11.554 ( 8.703 0.000 5.187) 10.132 11.854 ( 1.264 0.000 -2.176) 2.516 11.946 ( -1.381 0.000 0.383) 1.433 12.227 ( -4.115 0.000 -3.938) 5.696 12.373 ( -3.354 0.000 2.113) 3.964 12.401 ( -0.391 0.000 -5.946) 5.959 12.495 ( -2.703 0.000 1.458) 3.071 12.690 ( 1.701 0.000 -3.870) 4.227 12.825 ( 3.489 0.000 4.335) 5.564 12.941 ( -1.868 0.000 3.145) 3.657 12.979 ( -0.327 0.000 -0.515) 0.610 13.089 ( 4.833 0.000 1.860) 5.179 13.334 ( 8.336 0.000 -1.025) 8.399 13.546 ( -8.420 0.000 -0.459) 8.432 13.754 ( -8.553 0.000 1.394) 8.665 13.865 ( -2.131 0.000 0.076) 2.132 14.369 ( 5.560 0.000 6.780) 8.768 14.548 ( -1.702 0.000 0.865) 1.909 14.550 ( -3.593 0.000 -1.540) 3.909 14.895 ( 2.844 0.000 -3.392) 4.426 14.953 ( -4.089 0.000 -6.066) 7.315 15.083 ( -1.208 0.000 -2.122) 2.442 15.420 ( -4.409 0.000 -10.349) 11.249 15.448 ( -2.888 0.000 -0.880) 3.019 15.523 ( -5.757 0.000 -1.920) 6.069 15.694 ( 0.007 0.000 4.917) 4.917 15.738 ( 8.357 0.000 -10.841) 13.688 16.227 ( 1.401 0.000 7.120) 7.256 16.612 ( 1.995 0.000 5.835) 6.166 16.650 ( 8.998 0.000 5.308) 10.447 16.730 ( -8.968 0.000 -5.875) 10.721 16.874 ( -0.598 0.000 4.976) 5.012 17.040 ( -3.125 0.000 2.339) 3.903 17.248 ( -0.756 0.000 1.641) 1.807 17.580 ( -1.928 0.000 -1.147) 2.243 17.700 ( -1.878 0.000 2.138) 2.846 18.063 ( 13.912 0.000 13.243) 19.207 18.070 ( -0.401 0.000 -3.291) 3.316 18.253 ( -1.350 0.000 1.238) 1.832 18.448 ( -0.619 0.000 2.549) 2.623 18.531 ( -13.028 0.000 -12.211) 17.856 18.587 ( -3.418 0.000 -5.788) 6.722 18.610 ( 4.419 0.000 12.290) 13.060 19.030 ( 1.067 0.000 -0.183) 1.083 19.197 ( -10.066 0.000 -12.047) 15.699 19.216 ( 4.844 0.000 0.332) 4.855 19.249 ( 4.316 0.000 1.579) 4.596 19.362 ( -9.491 0.000 -8.108) 12.482 19.569 ( 0.460 0.000 0.506) 0.684 19.874 ( 1.729 0.000 1.994) 2.639 19.935 ( 1.215 0.000 4.354) 4.520 20.024 ( -4.852 0.000 -5.489) 7.326 20.033 ( -1.069 0.000 4.370) 4.499 20.256 ( 10.649 0.000 6.656) 12.558 20.614 ( -2.917 0.000 -5.718) 6.419 20.818 ( 1.516 0.000 -3.885) 4.170 21.283 ( -2.093 0.000 -1.419) 2.528 21.355 ( 6.467 0.000 6.984) 9.519 21.947 ( -0.865 0.000 -0.038) 0.866 21.999 ( -0.466 0.000 -0.833) 0.955 22.082 ( -0.975 0.000 1.616) 1.887 22.179 ( 2.472 0.000 0.368) 2.499 22.279 ( -1.121 0.000 -1.871) 2.181 22.453 ( -2.264 0.000 1.474) 2.701 22.720 ( -4.096 0.000 2.332) 4.714 22.802 ( 16.448 0.000 16.156) 23.056 23.462 ( -11.831 0.000 -11.848) 16.744 23.629 ( 12.713 0.000 14.190) 19.052 24.684 ( -16.435 0.000 -19.252) 25.313 24.783 ( 2.379 0.000 3.063) 3.878 25.419 ( 0.266 0.000 0.179) 0.321 25.466 ( 2.649 0.000 0.742) 2.751 25.670 ( -1.944 0.000 -0.843) 2.119 26.235 ( 3.863 0.000 -8.787) 9.599 26.309 ( -2.432 0.000 -4.854) 5.430 26.663 ( 10.147 0.000 3.769) 10.824 26.696 ( 10.976 0.000 15.932) 19.347 26.775 ( -7.465 0.000 -1.516) 7.618 27.013 ( -7.524 0.000 -5.774) 9.485 27.054 ( -9.661 0.000 -6.717) 11.766 27.340 ( -3.209 0.000 -3.111) 4.470 27.392 ( 3.146 0.000 -2.659) 4.119 27.589 ( 0.102 0.000 3.998) 3.999 27.875 ( -0.790 0.000 -0.934) 1.224 28.081 ( 0.510 0.000 1.936) 2.002 28.143 ( -8.074 0.000 -5.274) 9.644 28.314 ( -0.077 0.000 -0.976) 0.979 28.345 ( 0.286 0.000 -1.037) 1.076 28.704 ( 4.492 0.000 -0.639) 4.537 28.912 ( 3.344 0.000 2.717) 4.308 28.958 ( -2.092 0.000 -2.151) 3.001 29.034 ( 1.817 0.000 0.477) 1.879 29.280 ( -6.769 0.000 -26.654) 27.500 29.448 ( 1.818 0.000 2.202) 2.856 29.527 ( -2.381 0.000 0.684) 2.478 29.567 ( 1.488 0.000 6.570) 6.737 29.753 ( 6.188 0.000 3.826) 7.275 29.848 ( -5.021 0.000 -3.069) 5.884 30.448 ( 7.802 0.000 4.250) 8.884 30.874 ( -12.247 0.000 -7.834) 14.538 31.054 ( -11.597 0.000 -4.278) 12.361 31.490 ( 5.232 0.000 9.635) 10.964 31.614 ( -3.329 0.000 -1.096) 3.505 31.822 ( -8.927 0.000 -1.807) 9.108 32.011 ( -4.398 0.000 2.763) 5.194 32.067 ( 4.518 0.000 4.091) 6.096 32.166 ( -2.941 0.000 -0.601) 3.002 32.596 ( 1.922 0.000 1.079) 2.204 32.653 ( 3.675 0.000 -0.762) 3.753 32.813 ( 2.677 0.000 -1.090) 2.891 33.063 ( -3.688 0.000 3.887) 5.358 33.201 ( -1.201 0.000 -0.710) 1.395 33.289 ( 7.887 0.000 1.004) 7.950 33.638 ( -2.532 0.000 -10.085) 10.397 35.057 ( 18.333 0.000 16.491) 24.659 38.235 ( 3.849 0.000 6.536) 7.585 38.325 ( 2.156 0.000 0.602) 2.239 38.724 ( -2.766 0.000 2.016) 3.423 38.729 ( 0.103 0.000 -3.006) 3.008 39.272 ( -2.147 0.000 -0.333) 2.173 39.623 ( 4.076 0.000 -0.571) 4.116 39.667 ( -0.639 0.000 -2.748) 2.822 40.069 ( 3.699 0.000 1.328) 3.930 41.019 ( -5.141 0.000 -6.611) 8.375 41.160 ( -6.800 0.000 -0.876) 6.856 41.334 ( -0.436 0.000 4.275) 4.297 41.501 ( -6.762 0.000 7.267) 9.926 42.256 ( -0.561 0.000 -2.154) 2.226 42.466 ( 0.095 0.000 0.733) 0.739 43.326 ( 8.994 0.000 12.894) 15.721 43.524 ( 10.533 0.000 -2.263) 10.773 ======================= Grid point 126 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 34.654 0.000 42.571) 54.893 1.513 ( -16.823 0.000 36.540) 40.227 2.198 ( -17.036 0.000 42.033) 45.355 2.372 ( 4.252 0.000 11.475) 12.237 2.640 ( -4.406 0.000 -14.808) 15.449 2.934 ( 6.989 0.000 2.882) 7.560 3.144 ( 2.812 0.000 1.584) 3.227 3.179 ( -5.520 0.000 9.420) 10.918 3.240 ( -1.125 0.000 -0.381) 1.188 3.321 ( 6.669 0.000 -7.035) 9.693 3.352 ( -2.726 0.000 -0.587) 2.788 3.538 ( 3.607 0.000 -1.613) 3.951 3.549 ( 3.967 0.000 1.092) 4.114 3.724 ( 4.746 0.000 -4.654) 6.647 3.836 ( 11.591 0.000 -5.233) 12.718 3.953 ( 4.890 0.000 -4.178) 6.432 3.991 ( -0.644 0.000 3.898) 3.951 4.183 ( 1.750 0.000 -4.155) 4.508 4.330 ( -3.967 0.000 -9.878) 10.645 4.474 ( -0.791 0.000 -3.776) 3.858 4.525 ( 2.408 0.000 2.600) 3.543 4.564 ( 5.133 0.000 -5.498) 7.522 4.656 ( -1.628 0.000 -3.522) 3.880 4.920 ( -8.726 0.000 0.873) 8.769 4.990 ( 4.723 0.000 -10.060) 11.114 5.209 ( -1.256 0.000 2.323) 2.641 5.219 ( -4.117 0.000 -1.949) 4.555 5.350 ( -13.827 0.000 -14.972) 20.380 5.430 ( 1.671 0.000 5.520) 5.767 5.513 ( 14.182 0.000 13.031) 19.260 5.591 ( -7.154 0.000 5.831) 9.230 5.796 ( -0.506 0.000 3.476) 3.513 5.838 ( 3.523 0.000 4.679) 5.857 5.980 ( -0.091 0.000 5.167) 5.168 6.036 ( -1.247 0.000 -11.237) 11.306 6.237 ( 2.422 0.000 5.882) 6.362 6.526 ( -1.549 0.000 -3.972) 4.263 6.579 ( 8.005 0.000 12.232) 14.619 6.641 ( 3.456 0.000 -10.204) 10.773 6.735 ( -8.821 0.000 -8.119) 11.989 6.850 ( -4.269 0.000 4.277) 6.043 6.863 ( 1.781 0.000 -2.473) 3.048 7.056 ( -3.355 0.000 0.095) 3.356 7.168 ( 12.566 0.000 -4.490) 13.344 7.252 ( -4.249 0.000 -4.601) 6.263 7.378 ( -1.842 0.000 -10.302) 10.466 7.592 ( 8.033 0.000 2.413) 8.387 7.666 ( 4.241 0.000 0.900) 4.335 7.715 ( 1.752 0.000 1.339) 2.205 7.742 ( -7.470 0.000 -7.726) 10.747 8.218 ( -0.224 0.000 5.975) 5.979 8.289 ( 3.898 0.000 6.975) 7.990 8.663 ( 4.026 0.000 -10.595) 11.334 8.721 ( -9.682 0.000 6.444) 11.631 8.796 ( 4.144 0.000 -2.029) 4.614 8.987 ( -6.697 0.000 -2.859) 7.282 9.160 ( -4.580 0.000 -3.960) 6.055 9.191 ( -6.801 0.000 -5.462) 8.723 9.281 ( 2.626 0.000 -0.252) 2.639 9.377 ( -3.769 0.000 -5.503) 6.670 9.635 ( 5.746 0.000 6.127) 8.400 9.723 ( -3.456 0.000 2.121) 4.055 9.918 ( 5.124 0.000 1.053) 5.231 9.919 ( 0.668 0.000 6.504) 6.538 10.043 ( 0.198 0.000 2.006) 2.015 10.422 ( 0.543 0.000 -9.039) 9.055 10.708 ( 7.852 0.000 -0.384) 7.861 10.747 ( -2.171 0.000 5.813) 6.205 10.791 ( -1.249 0.000 9.487) 9.569 10.934 ( 2.064 0.000 12.909) 13.073 11.162 ( 3.262 0.000 -0.117) 3.264 11.169 ( 0.602 0.000 -8.477) 8.498 11.324 ( 3.814 0.000 -3.098) 4.914 11.679 ( 1.444 0.000 -4.991) 5.196 11.866 ( 3.777 0.000 -1.853) 4.207 11.927 ( -1.459 0.000 0.376) 1.507 12.126 ( -0.325 0.000 -0.239) 0.404 12.337 ( -4.066 0.000 0.511) 4.098 12.351 ( 2.576 0.000 -6.167) 6.683 12.442 ( -4.760 0.000 -0.982) 4.860 12.710 ( 4.509 0.000 -0.601) 4.549 12.904 ( -2.040 0.000 1.694) 2.652 12.946 ( -2.057 0.000 3.221) 3.822 12.957 ( 1.574 0.000 -0.363) 1.615 13.234 ( 8.671 0.000 4.630) 9.829 13.438 ( 7.971 0.000 -1.919) 8.199 13.451 ( -6.677 0.000 2.866) 7.266 13.704 ( -7.096 0.000 2.570) 7.547 13.830 ( -0.816 0.000 4.058) 4.139 14.373 ( -6.550 0.000 -4.852) 8.151 14.520 ( -0.137 0.000 -1.061) 1.070 14.530 ( -2.420 0.000 0.462) 2.464 14.845 ( 1.634 0.000 0.420) 1.688 14.921 ( 4.388 0.000 -1.422) 4.613 15.162 ( 4.878 0.000 2.870) 5.660 15.218 ( -3.322 0.000 -7.008) 7.755 15.358 ( -3.731 0.000 -4.490) 5.838 15.472 ( -0.266 0.000 -2.183) 2.199 15.757 ( -2.037 0.000 6.072) 6.405 15.762 ( 9.724 0.000 -6.485) 11.688 16.272 ( -3.266 0.000 2.422) 4.066 16.560 ( -6.318 0.000 -1.521) 6.499 16.635 ( -6.037 0.000 -6.695) 9.015 16.789 ( 9.593 0.000 9.506) 13.505 16.901 ( -5.178 0.000 -2.989) 5.979 17.118 ( 2.093 0.000 9.082) 9.320 17.234 ( -0.953 0.000 1.807) 2.043 17.517 ( -2.296 0.000 -2.813) 3.631 17.652 ( -4.748 0.000 -1.753) 5.061 17.950 ( -8.879 0.000 -11.907) 14.853 18.051 ( 0.148 0.000 2.810) 2.814 18.216 ( -10.257 0.000 -5.864) 11.815 18.423 ( -4.503 0.000 -1.013) 4.615 18.463 ( -1.524 0.000 0.866) 1.753 18.605 ( 6.993 0.000 3.614) 7.872 18.753 ( 6.620 0.000 10.577) 12.478 19.024 ( 0.607 0.000 -1.063) 1.224 19.115 ( -3.422 0.000 -6.125) 7.016 19.223 ( -3.240 0.000 -5.842) 6.681 19.368 ( 22.436 0.000 24.189) 32.992 19.537 ( 10.468 0.000 12.493) 16.298 19.562 ( -1.223 0.000 -1.258) 1.754 19.935 ( 1.929 0.000 0.281) 1.949 19.963 ( 2.591 0.000 2.752) 3.780 19.976 ( -0.267 0.000 0.702) 0.751 20.027 ( -3.444 0.000 -1.450) 3.736 20.345 ( -6.774 0.000 -1.277) 6.893 20.533 ( 3.714 0.000 -3.012) 4.781 20.762 ( -0.150 0.000 -5.662) 5.663 21.308 ( -10.042 0.000 -10.590) 14.594 21.378 ( 7.378 0.000 8.733) 11.432 21.955 ( -2.252 0.000 -1.162) 2.534 21.959 ( 0.921 0.000 2.116) 2.308 22.106 ( -0.044 0.000 3.484) 3.484 22.182 ( -0.234 0.000 -2.014) 2.028 22.249 ( 0.233 0.000 -1.788) 1.803 22.395 ( -3.853 0.000 -1.386) 4.094 22.712 ( -2.080 0.000 3.919) 4.436 22.796 ( -17.016 0.000 -17.340) 24.294 23.480 ( 15.242 0.000 15.611) 21.818 23.550 ( -17.286 0.000 -17.090) 24.308 24.722 ( -6.920 0.000 -7.288) 10.050 24.827 ( 23.376 0.000 23.066) 32.840 25.441 ( 1.656 0.000 1.881) 2.507 25.490 ( 0.032 0.000 -1.109) 1.109 25.652 ( 0.678 0.000 0.529) 0.860 26.090 ( -11.017 0.000 -5.241) 12.200 26.233 ( 7.879 0.000 -5.115) 9.393 26.753 ( -3.775 0.000 -0.476) 3.805 26.773 ( -6.843 0.000 -11.276) 13.190 26.844 ( -6.033 0.000 0.697) 6.073 26.865 ( 5.542 0.000 5.658) 7.920 27.011 ( 5.831 0.000 7.381) 9.406 27.360 ( -0.039 0.000 -5.658) 5.658 27.448 ( 10.979 0.000 4.063) 11.707 27.575 ( -4.555 0.000 -2.038) 4.990 27.890 ( 3.603 0.000 2.416) 4.338 28.087 ( -1.646 0.000 1.026) 1.940 28.183 ( 9.871 0.000 10.606) 14.488 28.281 ( -0.554 0.000 -3.101) 3.150 28.328 ( 1.054 0.000 -0.644) 1.235 28.735 ( 2.217 0.000 -2.526) 3.361 28.906 ( -3.089 0.000 -1.889) 3.621 28.965 ( 4.596 0.000 3.836) 5.987 29.050 ( -1.166 0.000 -2.552) 2.806 29.076 ( 6.415 0.000 -0.668) 6.450 29.439 ( -2.495 0.000 -2.583) 3.591 29.520 ( -4.338 0.000 -2.897) 5.217 29.541 ( 1.794 0.000 2.816) 3.339 29.824 ( -0.623 0.000 2.307) 2.390 29.870 ( -2.507 0.000 1.269) 2.810 30.382 ( -12.760 0.000 -13.786) 18.785 30.807 ( 9.779 0.000 6.756) 11.886 30.999 ( 0.671 0.000 9.598) 9.621 31.508 ( -10.637 0.000 -5.334) 11.899 31.641 ( 2.354 0.000 4.775) 5.324 31.680 ( -4.213 0.000 -0.702) 4.271 32.046 ( -5.404 0.000 -4.156) 6.817 32.063 ( 2.218 0.000 8.238) 8.532 32.226 ( 3.901 0.000 7.290) 8.268 32.591 ( -1.398 0.000 -2.462) 2.831 32.682 ( 2.593 0.000 -2.331) 3.486 32.854 ( 3.164 0.000 -0.386) 3.187 32.989 ( -6.597 0.000 -1.652) 6.800 33.190 ( -0.416 0.000 1.392) 1.453 33.354 ( 0.195 0.000 -3.327) 3.333 33.666 ( 11.961 0.000 4.965) 12.950 34.921 ( -25.266 0.000 -20.615) 32.609 38.366 ( 2.611 0.000 0.546) 2.667 38.439 ( 7.887 0.000 1.782) 8.086 38.696 ( 3.221 0.000 -3.836) 5.009 38.700 ( -4.485 0.000 2.355) 5.066 39.266 ( -0.716 0.000 2.391) 2.496 39.523 ( -2.497 0.000 -6.747) 7.195 39.769 ( 6.154 0.000 2.378) 6.597 39.974 ( -10.040 0.000 -1.181) 10.109 41.123 ( -0.046 0.000 5.141) 5.141 41.197 ( 17.070 0.000 7.638) 18.701 41.358 ( -1.240 0.000 1.185) 1.715 41.461 ( -8.922 0.000 5.226) 10.340 42.251 ( 1.275 0.000 0.451) 1.352 42.437 ( -2.202 0.000 -2.211) 3.120 43.638 ( 7.370 0.000 -0.590) 7.393 43.647 ( 15.032 0.000 3.008) 15.330 ======================= Grid point 127 (61/84) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 11.500 5.357 32.209) 34.617 1.838 ( 5.434 8.962 31.053) 32.774 2.357 ( -3.995 4.307 -17.133) 18.112 2.385 ( -1.790 6.184 -16.690) 17.888 2.882 ( 2.198 4.263 17.789) 18.425 3.033 ( 2.840 -2.648 -0.310) 3.895 3.100 ( -1.704 0.890 2.560) 3.201 3.165 ( -2.401 0.901 -2.323) 3.460 3.301 ( -3.232 0.068 9.459) 9.996 3.326 ( 0.643 3.382 -2.002) 3.983 3.388 ( -4.886 6.714 6.571) 10.589 3.567 ( 0.892 3.780 4.741) 6.129 3.672 ( 0.689 0.968 1.796) 2.153 3.681 ( -3.244 3.633 -5.856) 7.617 3.717 ( -1.136 -2.209 -5.328) 5.878 3.965 ( 7.306 3.601 -8.994) 12.134 4.111 ( 0.433 0.444 -1.585) 1.702 4.140 ( 4.658 -0.952 -2.263) 5.266 4.285 ( 1.568 1.237 0.699) 2.116 4.370 ( -0.372 -3.448 -2.889) 4.513 4.474 ( -5.759 -1.468 6.330) 8.682 4.580 ( 4.203 -0.927 -1.976) 4.736 4.661 ( 8.045 2.391 -5.488) 10.028 4.761 ( -9.470 -0.200 -6.883) 11.709 4.998 ( -1.799 4.940 -1.478) 5.461 5.030 ( -2.396 9.039 -6.367) 11.313 5.249 ( 1.100 0.651 2.070) 2.433 5.290 ( -0.815 1.014 -1.637) 2.091 5.462 ( 0.627 -1.169 3.721) 3.950 5.560 ( -3.635 0.949 -4.242) 5.666 5.649 ( -0.731 -5.853 6.231) 8.580 5.758 ( 3.569 -1.624 -3.091) 4.993 6.017 ( 2.569 -2.350 5.358) 6.390 6.091 ( 1.803 -3.059 3.968) 5.325 6.165 ( -0.397 -2.692 -0.251) 2.733 6.210 ( 2.464 0.764 0.110) 2.582 6.373 ( 4.916 -3.631 1.698) 6.343 6.428 ( 0.570 -0.975 0.184) 1.144 6.595 ( 4.987 1.212 -3.837) 6.408 6.712 ( -13.650 -3.644 -10.932) 17.863 6.839 ( 3.156 -7.852 2.625) 8.861 6.876 ( -5.570 3.544 -1.921) 6.875 6.951 ( 0.934 0.502 6.190) 6.280 7.081 ( -2.590 1.134 -5.527) 6.208 7.229 ( 0.532 5.510 -0.891) 5.607 7.361 ( -5.790 -0.715 -10.531) 12.039 7.593 ( 6.062 -0.352 6.165) 8.653 7.645 ( -4.610 -5.717 6.038) 9.508 7.711 ( -0.169 -2.235 -3.018) 3.759 7.732 ( 4.317 -4.731 0.146) 6.407 8.224 ( 3.757 -5.945 4.496) 8.347 8.287 ( 0.854 -8.139 -0.814) 8.224 8.549 ( -7.540 4.441 3.156) 9.303 8.648 ( -0.911 7.949 -6.089) 10.054 8.893 ( 8.276 -4.625 2.447) 9.792 8.963 ( -8.669 5.527 0.429) 10.290 9.055 ( -0.227 -7.718 -4.087) 8.736 9.111 ( 2.432 2.432 -4.439) 5.616 9.327 ( 1.315 5.009 1.099) 5.294 9.346 ( -0.482 2.777 -0.142) 2.822 9.652 ( 1.675 -5.367 4.842) 7.420 9.774 ( -0.189 -3.778 -3.654) 5.259 9.926 ( 1.937 0.540 2.349) 3.093 9.984 ( -1.622 -4.788 -2.235) 5.528 10.106 ( 3.274 5.024 9.937) 11.606 10.339 ( -3.413 5.097 -10.258) 11.952 10.631 ( -5.406 -9.318 4.421) 11.645 10.712 ( 5.386 -8.221 -2.984) 10.272 10.868 ( -2.958 -2.274 7.930) 8.764 11.025 ( 0.796 -4.876 -6.468) 8.139 11.130 ( -0.009 0.639 9.151) 9.174 11.287 ( 0.476 1.708 2.459) 3.031 11.298 ( 5.325 -0.304 -1.649) 5.582 11.457 ( -6.678 -0.869 -8.296) 10.685 11.926 ( -2.838 1.986 0.732) 3.540 11.952 ( 2.890 3.727 -1.992) 5.120 12.187 ( 2.118 -2.968 3.498) 5.052 12.261 ( 0.061 -0.138 -3.380) 3.383 12.339 ( -3.059 1.746 2.469) 4.302 12.416 ( 2.092 4.616 -4.711) 6.919 12.769 ( 0.957 -2.439 2.835) 3.861 12.824 ( -0.986 0.603 -2.279) 2.556 12.991 ( -3.073 1.773 0.580) 3.595 12.998 ( 3.313 2.657 -0.262) 4.255 13.389 ( 7.108 -4.720 3.003) 9.045 13.399 ( -4.942 -3.553 2.642) 6.636 13.512 ( 4.093 1.351 0.759) 4.376 13.578 ( -5.881 2.624 -4.123) 7.647 13.998 ( 4.568 2.140 8.052) 9.502 14.156 ( -5.608 -2.670 -6.360) 8.890 14.496 ( 2.596 1.726 1.090) 3.302 14.535 ( -3.837 2.451 -2.929) 5.414 14.934 ( 1.785 2.851 3.326) 4.730 15.019 ( -0.660 3.470 -2.862) 4.546 15.171 ( 1.014 -0.401 -1.433) 1.801 15.190 ( 0.005 -1.964 -1.133) 2.267 15.361 ( 3.667 4.621 6.560) 8.823 15.492 ( -2.169 9.116 -5.900) 11.073 15.730 ( -2.775 -2.920 2.379) 4.679 15.804 ( 4.956 -2.863 -5.134) 7.688 16.274 ( 0.609 -2.258 5.009) 5.528 16.406 ( -4.965 -4.824 -6.441) 9.456 16.558 ( 2.406 2.357 4.203) 5.386 16.679 ( -7.331 1.323 -7.106) 10.295 17.031 ( 8.979 -3.650 8.078) 12.618 17.142 ( -0.619 -2.163 -0.071) 2.251 17.375 ( 0.642 2.908 2.651) 3.987 17.521 ( -7.637 1.083 -9.659) 12.361 17.586 ( 2.108 2.945 2.945) 4.668 17.670 ( -6.182 3.355 -5.783) 9.106 18.070 ( 2.261 -1.695 4.285) 5.133 18.128 ( 0.120 0.695 0.099) 0.713 18.321 ( -1.527 -4.502 1.207) 4.905 18.397 ( -1.171 -3.397 -4.895) 6.072 18.772 ( 6.241 -0.142 5.880) 8.576 18.910 ( -5.357 0.494 -6.201) 8.209 19.044 ( 3.445 3.783 2.917) 5.890 19.136 ( -4.844 4.919 -4.557) 8.273 19.213 ( 13.411 2.393 13.858) 19.433 19.464 ( -6.009 0.387 -7.894) 9.929 19.675 ( 3.481 -4.205 7.832) 9.547 19.833 ( 2.068 -5.080 -2.997) 6.250 19.893 ( 3.238 -1.462 2.040) 4.097 19.925 ( -3.767 -1.255 -0.525) 4.005 20.047 ( 2.496 -3.765 7.321) 8.603 20.148 ( -1.614 0.589 0.376) 1.758 20.325 ( 10.848 1.051 8.785) 13.999 20.553 ( -5.488 -4.053 -8.768) 11.110 20.733 ( 6.615 11.413 10.320) 16.748 21.055 ( -14.638 14.828 -16.994) 26.888 21.654 ( 12.065 -1.706 13.458) 18.154 21.886 ( -5.867 0.088 -6.687) 8.897 22.025 ( 2.905 -0.697 4.267) 5.209 22.103 ( -1.331 -2.259 -1.008) 2.809 22.140 ( -0.175 -2.628 2.446) 3.595 22.234 ( -0.745 -1.617 -3.371) 3.812 22.340 ( -4.103 2.810 -2.070) 5.386 22.393 ( -5.906 0.331 -8.121) 10.047 22.723 ( 2.694 -4.920 5.533) 7.879 22.930 ( -12.574 -7.479 -14.285) 20.447 24.114 ( 17.912 8.524 19.649) 27.921 24.498 ( -12.730 7.513 -15.881) 21.695 25.359 ( 8.124 0.919 7.998) 11.437 25.444 ( -2.658 0.195 -2.389) 3.579 25.579 ( 7.944 0.506 11.293) 13.816 25.704 ( 0.680 1.705 -0.549) 1.916 25.913 ( -3.088 -7.700 5.527) 9.968 26.129 ( -1.773 -11.062 -11.018) 15.714 26.554 ( -2.170 0.940 -0.827) 2.505 26.619 ( -5.043 7.001 -7.114) 11.183 26.903 ( 0.369 -1.388 8.952) 9.066 27.032 ( 6.200 -0.955 0.986) 6.350 27.141 ( 3.637 -4.136 -1.240) 5.646 27.158 ( -3.263 -7.270 -3.487) 8.698 27.439 ( -2.474 2.341 -1.013) 3.553 27.498 ( -3.725 3.832 -5.527) 7.687 27.960 ( 3.157 -3.331 4.461) 6.400 28.079 ( -2.299 -1.868 -6.570) 7.207 28.279 ( 0.966 5.094 1.788) 5.484 28.303 ( -0.791 1.826 -0.587) 2.074 28.633 ( 13.206 -0.868 12.962) 18.525 28.792 ( 5.109 2.648 1.055) 5.850 28.800 ( -4.479 0.936 -2.307) 5.124 28.932 ( -7.039 1.048 -9.639) 11.981 29.145 ( 3.906 1.458 5.457) 6.868 29.256 ( 18.712 -8.311 6.041) 21.347 29.263 ( -9.621 -1.167 -6.801) 11.840 29.406 ( -8.968 -0.011 -6.110) 10.852 29.666 ( 8.399 0.478 1.598) 8.563 29.723 ( -7.554 -0.799 -3.286) 8.277 29.876 ( 4.011 -2.993 2.932) 5.800 29.997 ( -8.128 -4.278 -9.311) 13.079 31.094 ( 12.240 4.495 5.522) 14.161 31.213 ( -6.414 0.396 -3.267) 7.209 31.378 ( 6.504 5.116 7.233) 10.991 31.544 ( -6.806 -0.015 -5.258) 8.600 31.825 ( 3.537 5.523 4.156) 7.765 31.917 ( -3.447 2.923 -3.972) 6.017 32.247 ( 2.682 0.237 7.635) 8.096 32.340 ( 0.009 -0.893 1.751) 1.965 32.539 ( -0.148 0.748 1.723) 1.884 32.665 ( -0.513 1.706 -6.812) 7.041 32.838 ( -3.014 -3.826 1.175) 5.011 32.853 ( 0.056 -3.281 -1.408) 3.571 33.136 ( 0.300 -7.247 4.579) 8.578 33.237 ( -1.155 -5.072 -5.329) 7.447 34.076 ( 14.437 5.659 11.511) 19.312 34.278 ( -23.262 2.822 -6.785) 24.396 38.285 ( 0.931 -5.838 3.640) 6.943 38.380 ( -1.114 -5.541 -5.264) 7.724 38.707 ( -2.445 0.742 3.164) 4.067 38.834 ( 3.687 3.222 -8.957) 10.208 39.400 ( 0.483 10.954 4.458) 11.836 39.501 ( -1.712 8.510 -4.825) 9.932 39.911 ( -7.413 4.877 2.296) 9.166 39.921 ( 5.037 4.674 1.344) 7.002 41.106 ( -1.595 -6.327 6.481) 9.196 41.238 ( 3.940 -6.987 -5.193) 9.555 41.470 ( -5.421 7.163 5.882) 10.737 41.592 ( 11.203 6.722 -5.142) 14.041 42.296 ( 2.490 -0.268 2.221) 3.348 42.357 ( -1.900 -0.877 -3.175) 3.803 43.528 ( -3.722 -17.689 5.659) 18.941 43.597 ( 1.602 -11.880 -1.805) 12.123 ======================= Grid point 128 (62/84) ======================= q-point: ( 0.12 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -27.385 11.070 -30.882) 42.734 2.161 ( 5.680 0.449 -24.178) 24.840 2.199 ( 1.129 3.396 16.910) 17.285 2.308 ( 6.558 8.487 18.986) 21.806 2.942 ( -6.009 -6.642 4.003) 9.810 2.965 ( -2.261 3.134 -7.491) 8.429 3.152 ( 0.055 0.669 -3.244) 3.312 3.193 ( -7.816 1.701 1.211) 8.091 3.213 ( 3.600 -2.404 3.768) 5.739 3.294 ( -4.459 3.923 -0.027) 5.939 3.446 ( -10.574 -1.311 10.104) 14.684 3.565 ( -1.098 -2.140 -7.382) 7.764 3.602 ( -2.067 4.318 4.010) 6.245 3.665 ( 0.011 3.953 6.275) 7.417 3.816 ( 1.686 3.097 1.521) 3.841 3.917 ( 11.260 7.309 -15.790) 20.726 4.079 ( -0.368 -0.664 -0.797) 1.101 4.145 ( -0.287 -0.973 -1.394) 1.724 4.272 ( -2.153 1.270 -4.931) 5.529 4.345 ( -0.651 -3.263 1.736) 3.753 4.450 ( -4.154 2.645 4.268) 6.517 4.560 ( -4.392 0.418 -3.718) 5.770 4.622 ( 4.788 1.164 -3.125) 5.835 4.811 ( 4.772 0.123 6.300) 7.904 5.005 ( 6.097 3.771 8.096) 10.814 5.078 ( 5.775 9.446 0.240) 11.073 5.282 ( 2.416 2.191 -0.140) 3.264 5.294 ( 1.251 -0.108 -1.247) 1.769 5.498 ( 1.276 -3.577 -3.195) 4.964 5.567 ( 4.321 0.984 8.303) 9.412 5.619 ( -5.972 -2.221 -1.205) 6.484 5.783 ( 4.186 -4.305 -3.161) 6.786 6.027 ( -1.527 0.133 -4.929) 5.162 6.105 ( -0.159 -1.150 -2.519) 2.774 6.163 ( -4.298 -0.872 -8.883) 9.906 6.195 ( 2.280 -6.064 5.125) 8.260 6.309 ( -5.054 -0.474 -0.781) 5.136 6.424 ( -1.816 -1.269 -0.604) 2.297 6.552 ( 2.769 1.981 4.184) 5.394 6.752 ( -5.187 -7.472 -2.567) 9.452 6.798 ( 3.489 -2.256 7.333) 8.428 6.881 ( -1.237 -0.279 2.869) 3.137 6.942 ( -5.316 2.676 -2.098) 6.311 7.068 ( 0.984 -3.208 3.391) 4.771 7.227 ( 1.665 4.024 1.028) 4.475 7.376 ( 7.499 0.388 9.267) 11.928 7.546 ( -6.805 2.095 -5.317) 8.886 7.605 ( -7.370 -5.182 -0.917) 9.056 7.689 ( -1.973 3.120 2.274) 4.336 7.767 ( 2.070 -4.968 -5.280) 7.540 8.234 ( -0.599 -10.841 -2.760) 11.203 8.297 ( 0.875 -6.000 -2.580) 6.589 8.500 ( -3.063 7.719 7.424) 11.139 8.735 ( 7.329 0.221 3.374) 8.071 8.778 ( -8.535 3.017 -5.346) 10.513 9.004 ( -1.034 -5.793 0.864) 5.948 9.041 ( 4.819 -2.912 5.341) 7.761 9.192 ( 9.533 3.255 -2.927) 10.490 9.325 ( 0.117 3.892 -0.685) 3.954 9.366 ( 2.201 3.800 -0.349) 4.405 9.681 ( 0.271 -2.915 -5.026) 5.816 9.766 ( 2.241 -5.701 3.497) 7.053 9.891 ( -5.129 -0.998 -1.885) 5.555 9.971 ( -0.497 -2.474 2.118) 3.295 10.133 ( -5.157 2.734 -9.546) 11.190 10.304 ( 3.514 6.848 8.844) 11.724 10.606 ( -5.440 -6.420 3.088) 8.963 10.737 ( 3.519 -8.018 -2.964) 9.244 10.939 ( -0.283 -3.423 6.979) 7.778 10.968 ( 1.821 -3.368 -5.234) 6.485 11.181 ( -3.261 1.396 -2.849) 4.550 11.215 ( -2.581 1.539 0.095) 3.007 11.287 ( -3.002 2.175 -3.667) 5.214 11.479 ( 5.744 -2.157 7.148) 9.420 11.847 ( -6.946 0.737 0.164) 6.987 11.979 ( 1.349 3.661 -0.186) 3.906 12.141 ( -3.840 -0.440 -0.774) 3.942 12.284 ( -0.806 -0.634 -0.510) 1.145 12.355 ( 3.855 1.516 1.200) 4.313 12.438 ( 4.537 2.261 -0.710) 5.118 12.748 ( -3.448 1.746 -0.791) 3.945 12.838 ( 2.294 -2.965 0.717) 3.817 12.916 ( -6.055 -1.342 -0.095) 6.203 13.052 ( 3.308 3.844 -0.242) 5.078 13.280 ( -8.994 -5.408 -2.033) 10.690 13.406 ( -6.701 0.635 0.418) 6.744 13.533 ( 6.104 -0.061 -3.512) 7.042 13.672 ( 9.754 0.811 4.205) 10.653 14.009 ( -3.256 0.533 -6.635) 7.410 14.179 ( 6.435 -1.257 7.834) 10.216 14.478 ( -0.944 1.047 -0.891) 1.667 14.569 ( 4.112 2.784 2.990) 5.796 14.922 ( -3.369 1.699 -4.073) 5.553 15.004 ( 0.147 2.019 3.775) 4.283 15.143 ( -1.232 0.010 -1.469) 1.917 15.200 ( -1.535 3.529 -2.900) 4.818 15.371 ( -0.660 5.074 -4.228) 6.638 15.472 ( 0.484 7.347 5.309) 9.077 15.681 ( -4.868 -0.081 0.667) 4.914 15.810 ( 1.887 -5.957 -3.659) 7.241 16.308 ( 0.832 -2.178 -2.447) 3.380 16.414 ( 4.687 -5.821 7.794) 10.798 16.575 ( 0.842 0.597 -2.371) 2.586 16.735 ( 9.979 2.305 8.971) 13.615 16.972 ( -8.290 -0.608 -7.853) 11.435 17.155 ( 0.190 -4.690 -1.463) 4.917 17.384 ( -0.857 4.298 -1.707) 4.703 17.551 ( 5.914 -0.720 6.417) 8.756 17.582 ( 0.582 2.396 0.269) 2.480 17.731 ( 9.733 4.496 7.846) 13.286 18.090 ( 1.697 -3.846 -1.332) 4.409 18.137 ( 0.122 1.161 -1.338) 1.775 18.343 ( 1.856 -6.239 2.012) 6.813 18.403 ( 3.759 -3.330 2.146) 5.461 18.736 ( -6.067 2.105 -6.440) 9.095 18.924 ( 2.249 -0.634 3.279) 4.027 19.011 ( -4.274 2.564 -2.401) 5.533 19.153 ( -0.669 5.381 0.522) 5.448 19.171 ( -5.495 2.580 -9.517) 11.288 19.492 ( 5.456 -0.350 5.120) 7.490 19.659 ( -9.748 -4.141 -9.228) 14.048 19.763 ( -6.992 -6.188 -3.000) 9.807 19.870 ( -0.139 -0.711 1.661) 1.812 19.945 ( -4.238 -3.081 -2.534) 5.820 20.003 ( -1.576 0.291 0.745) 1.768 20.205 ( 0.366 -0.221 -4.534) 4.554 20.278 ( -2.477 2.615 -1.961) 4.101 20.552 ( 2.096 -2.775 3.544) 4.966 20.734 ( -4.711 9.842 -8.259) 13.685 21.119 ( 14.943 12.508 17.186) 25.983 21.590 ( -12.782 -2.320 -12.912) 18.316 21.912 ( 4.814 0.082 4.738) 6.755 22.020 ( -2.360 -0.436 -3.221) 4.016 22.102 ( 0.380 -2.404 1.876) 3.073 22.165 ( 0.127 -2.782 -2.247) 3.579 22.222 ( 0.678 0.443 1.236) 1.477 22.378 ( 3.363 2.608 1.781) 4.614 22.425 ( 11.889 -0.407 13.714) 18.155 22.755 ( 1.409 -4.813 -3.778) 6.279 23.005 ( 16.972 -6.911 18.022) 25.702 24.033 ( -18.156 8.690 -21.439) 29.407 24.550 ( 12.438 6.651 13.583) 19.581 25.301 ( -12.514 1.503 -12.224) 17.559 25.450 ( 0.712 -0.295 2.063) 2.202 25.532 ( -9.757 -1.004 -7.913) 12.603 25.700 ( 0.134 4.178 -1.458) 4.427 25.985 ( 0.566 -7.843 0.188) 7.866 26.047 ( 0.586 -8.698 6.199) 10.697 26.573 ( 2.997 2.135 3.827) 5.309 26.648 ( 6.498 2.734 5.809) 9.135 26.898 ( -5.370 -2.127 -0.796) 5.831 26.984 ( -7.361 -3.544 -7.576) 11.141 27.128 ( 5.164 -3.462 0.549) 6.241 27.202 ( 2.760 -3.109 -1.115) 4.304 27.443 ( -0.047 2.895 2.493) 3.821 27.526 ( 6.521 2.230 5.034) 8.535 27.939 ( -4.626 -1.694 -4.340) 6.566 28.068 ( 2.316 -4.007 3.689) 5.919 28.273 ( -1.322 5.031 -1.023) 5.302 28.310 ( 0.494 2.275 0.429) 2.367 28.532 ( -16.875 1.028 -15.528) 22.955 28.728 ( -2.953 3.424 0.800) 4.592 28.834 ( 2.796 -1.618 3.382) 4.677 28.959 ( 2.782 1.322 2.630) 4.051 29.050 ( -13.697 -6.678 -7.604) 17.030 29.127 ( -3.183 2.370 -2.016) 4.451 29.315 ( 7.871 0.507 9.156) 12.085 29.509 ( 5.488 1.291 -0.604) 5.670 29.593 ( -3.445 -0.594 -1.818) 3.940 29.786 ( 3.711 -1.250 3.803) 5.459 29.902 ( 1.828 0.867 -1.698) 2.641 30.129 ( 17.884 -11.361 3.262) 21.437 30.984 ( -9.596 3.899 -6.204) 12.074 31.233 ( -4.647 -1.183 -7.574) 8.965 31.431 ( 9.520 5.654 3.245) 11.538 31.612 ( 7.939 0.529 3.461) 8.676 31.820 ( -1.640 6.634 -3.310) 7.593 31.938 ( 3.416 0.539 2.955) 4.549 32.258 ( -3.010 1.004 -4.515) 5.518 32.346 ( -0.546 -1.900 -0.628) 2.074 32.556 ( -0.756 1.419 -3.353) 3.718 32.615 ( 0.004 1.573 5.466) 5.687 32.777 ( -4.633 -4.353 1.867) 6.626 32.912 ( 3.959 -2.077 1.771) 4.809 33.162 ( -0.581 -5.733 -1.727) 6.015 33.223 ( 2.463 -6.714 2.796) 7.679 33.915 ( -15.804 11.821 -3.956) 20.129 34.491 ( 17.819 -2.830 13.251) 22.386 38.280 ( -3.069 -5.108 -1.922) 6.261 38.369 ( 2.004 -6.615 2.351) 7.301 38.689 ( -5.481 5.026 3.281) 8.128 38.804 ( 3.379 -1.139 -3.972) 5.338 39.419 ( -1.515 6.594 -2.878) 7.353 39.484 ( 1.557 11.553 4.532) 12.507 39.807 ( -7.733 2.984 0.865) 8.334 40.040 ( 6.612 6.455 1.246) 9.325 41.113 ( -5.927 -7.441 1.728) 9.669 41.194 ( 1.012 -5.680 -5.498) 7.970 41.447 ( -2.819 9.130 1.900) 9.742 41.690 ( 12.857 3.973 -8.248) 15.784 42.294 ( -0.802 -0.126 -3.415) 3.510 42.371 ( 3.335 -0.722 2.570) 4.271 43.476 ( -11.295 -13.171 4.798) 18.002 43.535 ( -6.348 -12.248 -2.515) 14.023 ======================= Grid point 129 (63/84) ======================= q-point: ( 0.25 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -13.108 26.002 -19.379) 34.978 1.972 ( 14.907 -0.415 -25.816) 29.813 2.279 ( -5.265 4.311 1.236) 6.916 2.605 ( 3.937 4.793 14.910) 16.149 2.838 ( -8.169 2.410 -4.549) 9.655 2.904 ( 1.032 1.647 -4.559) 4.956 3.044 ( -11.908 -6.082 7.421) 15.293 3.090 ( -3.924 2.545 -5.309) 7.075 3.216 ( -6.495 3.768 3.567) 8.313 3.303 ( 3.559 -7.931 -3.234) 9.275 3.389 ( -5.114 -2.793 1.936) 6.140 3.468 ( -3.076 1.067 -3.163) 4.539 3.614 ( -3.074 7.254 1.649) 8.049 3.656 ( -1.044 1.907 -5.034) 5.483 3.751 ( 0.626 4.199 -8.056) 9.106 3.912 ( -0.395 -0.759 -2.095) 2.263 4.063 ( 2.187 0.431 -0.935) 2.417 4.173 ( 1.986 3.026 1.540) 3.934 4.230 ( -1.985 -8.187 -0.506) 8.439 4.349 ( 1.692 0.972 2.810) 3.421 4.441 ( -1.626 0.093 1.935) 2.529 4.549 ( -1.931 3.428 2.535) 4.680 4.660 ( 2.385 0.540 0.787) 2.568 4.891 ( -2.456 4.126 4.063) 6.290 5.126 ( 3.841 4.455 -2.305) 6.318 5.249 ( 1.904 -2.659 8.478) 9.087 5.266 ( 0.529 0.308 -3.624) 3.675 5.273 ( 1.895 -1.223 -5.143) 5.615 5.472 ( 2.421 -4.217 -2.865) 5.644 5.584 ( 4.378 11.579 6.867) 14.157 5.695 ( 1.824 -0.245 -1.532) 2.395 5.863 ( 8.449 0.727 -0.368) 8.488 5.935 ( -2.252 -1.350 -8.759) 9.144 6.044 ( 5.339 -1.002 3.792) 6.625 6.101 ( 3.083 3.858 -2.226) 5.417 6.267 ( 4.108 -1.909 -0.180) 4.534 6.334 ( -3.825 -7.580 -2.150) 8.759 6.434 ( -0.150 -4.308 5.258) 6.799 6.519 ( -11.414 -2.115 -3.389) 12.093 6.623 ( -3.929 -3.634 7.123) 8.909 6.769 ( -9.468 -4.418 1.869) 10.614 6.895 ( -4.870 -2.107 3.533) 6.374 6.990 ( 3.463 5.163 4.299) 7.559 7.092 ( -2.957 -2.866 2.893) 5.032 7.313 ( 1.364 3.510 0.315) 3.779 7.395 ( -6.608 2.592 -0.056) 7.098 7.465 ( -3.045 -0.507 -2.042) 3.701 7.561 ( -1.093 0.027 2.932) 3.130 7.687 ( 0.854 -3.960 -6.792) 7.908 7.763 ( 6.616 -3.961 4.167) 8.765 8.186 ( -1.130 -6.434 -4.100) 7.713 8.251 ( -0.205 -7.651 0.576) 7.676 8.482 ( -10.041 6.692 -1.557) 12.167 8.722 ( 3.704 -1.393 7.197) 8.213 8.863 ( 5.514 -1.800 -2.164) 6.191 9.033 ( 1.350 -4.981 3.455) 6.211 9.128 ( -4.361 -4.350 -1.779) 6.412 9.250 ( 7.266 0.629 2.976) 7.877 9.356 ( 4.806 0.614 0.721) 4.898 9.447 ( 6.680 7.633 2.441) 10.433 9.658 ( 1.918 0.876 -5.680) 6.059 9.736 ( -1.562 -5.058 -0.375) 5.307 9.896 ( 0.191 3.058 1.973) 3.644 9.955 ( 0.422 2.922 -1.207) 3.190 9.999 ( -5.000 -1.086 0.678) 5.162 10.381 ( -4.807 3.805 2.805) 6.742 10.554 ( -4.621 -3.271 1.779) 5.934 10.750 ( 1.967 -2.744 -1.682) 3.772 10.902 ( 2.036 -0.262 -7.354) 7.635 10.998 ( -1.402 -2.069 -1.185) 2.766 11.075 ( -0.814 0.496 -5.209) 5.295 11.194 ( 0.250 4.323 1.367) 4.541 11.257 ( -3.173 1.672 2.037) 4.124 11.565 ( -2.695 -4.484 -0.059) 5.232 11.769 ( -5.330 0.043 4.463) 6.952 11.996 ( 0.332 3.923 0.895) 4.038 12.149 ( 3.592 -1.034 2.705) 4.613 12.255 ( -1.844 0.495 1.047) 2.177 12.421 ( 3.619 0.569 -0.173) 3.668 12.497 ( 2.390 -0.628 1.419) 2.850 12.705 ( -1.957 4.271 0.589) 4.735 12.819 ( -3.469 -3.461 -1.425) 5.103 12.881 ( 0.342 -3.850 1.121) 4.024 13.077 ( -1.096 0.601 -2.398) 2.704 13.131 ( -4.331 -0.682 -1.755) 4.722 13.324 ( -6.443 1.191 1.643) 6.755 13.576 ( 6.288 0.448 -2.948) 6.959 13.833 ( 5.546 -1.220 1.670) 5.919 13.906 ( 0.734 2.762 -6.136) 6.768 14.348 ( 3.492 -7.792 3.073) 9.075 14.476 ( 2.586 2.769 0.214) 3.794 14.670 ( 3.104 4.235 1.885) 5.579 14.838 ( -2.055 2.040 -0.133) 2.899 14.992 ( -3.641 10.228 -5.224) 12.048 15.113 ( -1.978 -2.524 -2.416) 4.015 15.125 ( -1.918 -0.499 9.267) 9.477 15.404 ( 4.968 -0.061 0.420) 4.986 15.533 ( 0.379 7.404 3.818) 8.339 15.646 ( -3.718 4.121 4.692) 7.268 15.757 ( -1.432 -5.645 -3.947) 7.035 16.332 ( 2.513 -0.712 -1.549) 3.037 16.495 ( -1.771 -11.397 0.740) 11.558 16.640 ( 7.527 -2.125 3.058) 8.398 16.814 ( -4.118 1.248 -6.792) 8.040 16.921 ( 5.439 -1.195 0.562) 5.597 17.190 ( 2.222 6.315 1.599) 6.883 17.339 ( -1.332 5.249 -1.313) 5.572 17.556 ( 1.489 2.829 0.813) 3.299 17.678 ( 3.961 -2.888 -0.007) 4.902 17.997 ( 6.357 2.606 5.619) 8.876 18.130 ( 6.021 2.069 4.929) 8.051 18.226 ( 3.096 -6.664 -0.370) 7.357 18.401 ( 1.589 -4.798 -0.851) 5.126 18.493 ( 1.244 -2.842 3.553) 4.717 18.611 ( -0.221 5.029 -3.196) 5.963 18.689 ( -2.538 -5.705 -2.659) 6.787 19.000 ( -1.819 0.458 1.187) 2.220 19.089 ( -9.787 0.352 -10.516) 14.370 19.197 ( -1.615 -3.581 -1.326) 4.146 19.317 ( -4.114 4.995 -0.704) 6.510 19.435 ( -11.908 -2.409 -9.169) 15.220 19.572 ( 0.491 -0.117 -0.754) 0.907 19.859 ( -1.812 -3.908 -1.705) 4.633 19.916 ( 1.345 -0.487 1.935) 2.406 20.072 ( 3.255 -0.104 0.612) 3.314 20.137 ( 0.659 7.650 -2.710) 8.142 20.415 ( 5.548 -1.758 7.915) 9.825 20.466 ( -7.586 5.800 -6.189) 11.379 20.707 ( 0.702 -1.344 2.583) 2.995 21.320 ( -6.097 -2.337 -6.044) 8.897 21.410 ( 3.836 5.869 5.499) 8.911 21.943 ( 0.155 -0.980 -1.073) 1.462 22.010 ( 1.369 1.486 0.243) 2.035 22.099 ( 0.281 -3.050 -1.304) 3.329 22.159 ( -0.069 -0.945 -0.008) 0.948 22.248 ( 0.721 1.831 2.000) 2.806 22.441 ( 3.530 -0.818 0.421) 3.647 22.702 ( 5.095 -7.329 -2.074) 9.164 22.931 ( 12.877 3.365 12.777) 18.450 23.514 ( -13.571 11.726 -15.207) 23.515 23.567 ( 19.201 -8.386 17.555) 27.334 24.624 ( -15.156 -3.504 -13.016) 20.283 24.916 ( -1.910 11.567 -1.575) 11.829 25.426 ( -1.484 -0.500 -1.117) 1.924 25.459 ( -1.831 -0.582 0.956) 2.146 25.683 ( -0.083 3.025 -0.433) 3.057 26.025 ( -1.823 -6.687 6.069) 9.213 26.116 ( 3.487 -4.482 2.798) 6.331 26.603 ( -2.191 -7.923 -2.555) 8.608 26.789 ( -5.231 -2.975 -4.642) 7.600 26.839 ( 3.380 2.996 8.948) 10.023 26.917 ( 2.958 2.083 5.371) 6.476 27.129 ( -1.164 3.912 -4.947) 6.413 27.229 ( 2.477 -4.655 0.497) 5.296 27.431 ( -3.271 3.609 0.159) 4.873 27.644 ( 2.969 1.729 0.594) 3.487 27.888 ( 1.710 0.142 -0.530) 1.796 28.109 ( -1.013 -3.624 -0.802) 3.847 28.208 ( -0.799 1.013 -1.827) 2.237 28.268 ( -1.352 6.905 -0.498) 7.054 28.342 ( -0.259 0.572 0.072) 0.632 28.713 ( -5.959 -10.781 -1.822) 12.452 28.729 ( -2.102 1.191 1.506) 2.847 28.935 ( 0.048 -4.115 0.381) 4.133 29.007 ( 0.233 1.723 0.438) 1.793 29.121 ( -0.115 5.424 -0.215) 5.429 29.505 ( 0.549 -2.711 -1.110) 2.981 29.513 ( 4.971 4.204 4.098) 7.693 29.606 ( 2.867 2.509 2.600) 4.613 29.837 ( 1.485 -1.397 -0.333) 2.065 29.927 ( -2.443 3.313 -1.503) 4.382 30.347 ( 3.173 -5.630 8.098) 10.360 30.797 ( -3.192 3.060 -4.655) 6.421 31.122 ( 5.026 -0.853 -4.752) 6.969 31.606 ( 4.250 1.254 -3.004) 5.354 31.720 ( 7.980 3.217 1.502) 8.734 31.790 ( 2.320 3.263 -2.566) 4.756 31.968 ( 1.039 -5.086 -1.186) 5.325 32.181 ( -4.593 1.280 -4.574) 6.608 32.264 ( 1.032 2.395 -3.041) 4.006 32.574 ( 0.785 -0.567 1.348) 1.660 32.627 ( -2.773 0.037 0.947) 2.930 32.754 ( -3.954 -2.040 3.509) 5.667 33.002 ( 4.026 -2.635 3.267) 5.816 33.134 ( 0.674 -6.052 -3.394) 6.972 33.307 ( 0.990 -3.756 6.301) 7.402 33.695 ( -8.036 14.371 -4.572) 17.088 34.825 ( 6.153 -13.174 7.192) 16.221 38.221 ( -1.592 -2.822 -1.313) 3.496 38.420 ( -0.431 -4.814 3.072) 5.727 38.658 ( -4.771 5.656 4.403) 8.610 38.802 ( 1.368 -0.655 -2.825) 3.207 39.358 ( -0.424 4.089 -4.020) 5.750 39.573 ( 0.118 9.848 6.401) 11.746 39.711 ( -4.789 1.975 -0.929) 5.263 40.125 ( 1.861 6.903 1.106) 7.235 41.002 ( -4.791 -5.902 -3.817) 8.507 41.152 ( 2.778 -6.024 -4.739) 8.152 41.444 ( 0.293 7.922 -0.118) 7.928 41.765 ( 12.418 4.032 -8.612) 15.641 42.253 ( 0.288 0.469 -2.356) 2.419 42.442 ( 2.573 -1.114 1.277) 3.081 43.345 ( -11.894 -10.488 1.650) 15.943 43.381 ( -10.463 -9.056 -0.466) 13.846 ======================= Grid point 130 (64/84) ======================= q-point: ( 0.38 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 27.949 14.985 28.026) 42.322 1.979 ( 21.680 1.777 -15.991) 26.998 2.176 ( -2.125 6.395 -3.041) 7.393 2.534 ( -19.921 7.224 -5.151) 21.807 2.767 ( -5.448 -2.320 2.798) 6.549 2.856 ( -8.984 -1.886 0.849) 9.219 2.930 ( 10.706 0.348 -15.128) 18.536 3.032 ( -4.107 -5.572 5.553) 8.874 3.219 ( -5.816 5.856 7.388) 11.077 3.271 ( 2.030 -4.113 -6.185) 7.700 3.371 ( -2.356 -4.213 4.235) 6.421 3.405 ( -1.947 1.624 0.929) 2.700 3.521 ( -7.283 6.346 -0.900) 9.702 3.614 ( 1.945 -3.054 -3.758) 5.219 3.745 ( 2.078 6.881 2.049) 7.474 3.850 ( 2.321 -0.526 -5.127) 5.653 4.065 ( 0.599 1.580 -6.098) 6.328 4.169 ( -1.881 2.654 -0.489) 3.289 4.232 ( -2.982 -8.454 3.097) 9.484 4.433 ( 3.348 7.141 2.627) 8.313 4.480 ( 0.736 -7.303 6.087) 9.536 4.490 ( -2.676 -1.575 -2.495) 3.983 4.704 ( 2.379 3.031 -0.834) 3.942 4.880 ( -3.072 0.587 3.015) 4.344 5.096 ( 0.749 -4.509 -5.912) 7.473 5.220 ( -1.089 10.340 1.457) 10.499 5.269 ( 2.863 5.423 -1.901) 6.420 5.325 ( 3.262 -0.034 1.867) 3.758 5.490 ( 0.466 0.546 0.137) 0.731 5.628 ( -0.634 4.635 -8.091) 9.346 5.814 ( 2.478 -3.681 -8.816) 9.870 5.877 ( 5.901 -6.538 7.892) 11.826 5.936 ( -6.195 1.628 0.401) 6.418 6.088 ( 5.544 -5.200 2.202) 7.914 6.136 ( 2.676 -0.662 -1.337) 3.064 6.268 ( 6.969 2.160 3.052) 7.909 6.370 ( 4.696 -5.840 2.133) 7.791 6.403 ( -4.677 0.268 2.000) 5.093 6.471 ( -3.015 -8.000 3.573) 9.266 6.658 ( -3.847 -5.310 6.513) 9.242 6.739 ( -3.435 -0.538 5.991) 6.927 6.842 ( -3.544 -3.490 -1.017) 5.077 6.944 ( -10.235 2.231 -2.207) 10.706 7.032 ( -4.117 -3.862 -3.860) 6.838 7.226 ( -9.133 2.464 -6.606) 11.538 7.329 ( -1.508 0.998 -3.704) 4.122 7.423 ( 0.232 -0.753 0.388) 0.879 7.560 ( 0.154 3.185 1.306) 3.446 7.682 ( 3.240 2.357 -0.810) 4.087 7.796 ( 0.496 -3.271 -2.707) 4.274 8.213 ( -6.871 -9.398 0.258) 11.645 8.282 ( 6.809 -0.935 8.141) 10.655 8.428 ( 5.008 5.813 2.413) 8.044 8.793 ( -1.030 -0.348 -12.556) 12.603 8.862 ( 1.976 -2.735 6.913) 7.692 9.027 ( -4.478 -6.682 -0.557) 8.063 9.083 ( -2.286 -1.807 4.432) 5.305 9.413 ( 7.533 -1.060 -2.629) 8.049 9.437 ( 4.571 1.655 3.402) 5.933 9.586 ( 3.078 -1.826 0.256) 3.588 9.605 ( 3.121 0.554 6.035) 6.817 9.820 ( 2.873 6.645 5.452) 9.063 9.846 ( -3.142 -4.042 -2.987) 5.927 9.907 ( -1.751 1.599 -0.104) 2.374 10.071 ( 3.661 11.944 3.172) 12.889 10.251 ( -11.256 3.845 -1.449) 11.982 10.513 ( -3.726 -2.566 0.280) 4.533 10.703 ( -0.345 -2.673 -5.936) 6.519 10.909 ( 6.748 3.188 -1.273) 7.571 10.967 ( 4.028 1.446 -4.578) 6.267 11.020 ( -1.631 -2.134 -1.602) 3.128 11.131 ( -6.605 2.864 -1.402) 7.334 11.264 ( -1.633 2.707 0.257) 3.172 11.453 ( -6.171 -2.671 -4.476) 8.078 11.797 ( -0.441 -1.498 5.580) 5.795 11.997 ( -1.220 2.484 -0.289) 2.782 12.256 ( 2.998 0.393 4.195) 5.171 12.304 ( 3.470 -2.147 5.611) 6.938 12.445 ( 0.278 -0.170 -0.546) 0.636 12.534 ( 0.273 -1.134 1.093) 1.598 12.705 ( -0.771 4.990 1.936) 5.408 12.782 ( 0.126 -1.882 -0.319) 1.913 12.897 ( 1.323 -4.499 -0.337) 4.701 12.949 ( -5.963 -2.295 -3.702) 7.385 13.141 ( 2.543 4.521 0.075) 5.188 13.261 ( -5.116 2.815 1.453) 6.017 13.653 ( 6.562 0.114 0.062) 6.563 13.843 ( -0.747 -0.989 -1.300) 1.796 13.903 ( 4.502 -0.745 -3.599) 5.812 14.281 ( -5.758 -4.933 -7.273) 10.507 14.550 ( 1.919 0.134 1.169) 2.251 14.639 ( -1.193 3.047 -2.063) 3.869 14.913 ( -0.650 5.920 -0.557) 5.981 14.954 ( 4.239 -0.739 6.959) 8.182 15.061 ( -0.005 -1.925 -1.188) 2.262 15.288 ( 1.913 0.165 15.690) 15.807 15.452 ( 0.720 -4.874 -2.511) 5.530 15.609 ( 5.666 1.650 3.587) 6.906 15.675 ( -1.839 8.001 4.544) 9.383 15.731 ( 0.402 0.679 3.057) 3.157 16.286 ( -1.467 0.856 -6.928) 7.133 16.441 ( -4.816 -8.710 -3.021) 10.401 16.658 ( -2.526 -1.624 -6.178) 6.869 16.797 ( 6.137 -2.436 3.225) 7.348 16.957 ( 0.124 4.972 -3.521) 6.094 17.148 ( 0.663 3.609 -2.467) 4.421 17.330 ( -1.728 6.352 -0.650) 6.615 17.600 ( 1.075 0.250 1.642) 1.979 17.692 ( 1.178 -4.696 -3.883) 6.206 17.937 ( -13.215 -1.409 -13.403) 18.875 18.067 ( 0.993 1.352 -0.306) 1.706 18.249 ( -7.454 -4.372 -9.683) 12.978 18.383 ( -0.494 -6.540 -1.197) 6.667 18.562 ( 0.017 -4.715 2.341) 5.264 18.703 ( 12.996 7.948 12.580) 19.757 18.717 ( 3.768 4.832 0.971) 6.204 18.964 ( -0.828 -2.433 2.386) 3.507 19.132 ( 8.416 -3.139 8.424) 12.314 19.162 ( -5.603 0.649 -4.998) 7.536 19.327 ( 2.081 4.570 6.125) 7.921 19.367 ( 10.150 -6.294 10.151) 15.675 19.565 ( 0.299 -0.866 -1.294) 1.586 19.828 ( 0.259 -2.310 -0.853) 2.476 19.962 ( 0.460 -0.850 0.858) 1.292 20.073 ( -1.674 -0.351 -3.447) 3.848 20.125 ( 2.112 5.801 -1.638) 6.387 20.253 ( -7.476 8.791 -6.727) 13.357 20.585 ( 4.137 -1.638 7.051) 8.337 20.736 ( -0.666 -2.954 1.358) 3.318 21.279 ( 2.693 -1.535 0.998) 3.257 21.378 ( -5.807 4.446 -4.901) 8.804 21.949 ( 1.422 -0.620 0.364) 1.593 22.016 ( 0.009 0.174 -0.865) 0.882 22.083 ( -1.088 -1.807 -1.807) 2.777 22.140 ( -1.385 -0.658 -1.212) 1.955 22.291 ( 1.377 1.347 2.229) 2.946 22.476 ( 0.610 -1.187 -1.272) 1.844 22.607 ( -8.266 -6.815 -13.457) 17.201 22.866 ( -4.366 3.106 -7.958) 9.593 23.431 ( -22.755 -3.409 -25.117) 34.063 23.723 ( 20.071 9.998 20.970) 30.701 24.701 ( 17.368 -5.989 19.491) 26.785 24.870 ( -3.935 9.211 -3.356) 10.563 25.409 ( -0.180 -0.789 -0.218) 0.838 25.434 ( -1.928 -0.074 -0.142) 1.934 25.687 ( 0.148 -0.740 -0.631) 0.984 26.093 ( -2.046 -2.150 9.578) 10.028 26.189 ( 2.084 -7.665 1.295) 8.048 26.497 ( -4.715 -2.423 -4.335) 6.848 26.718 ( -3.278 -0.906 -2.418) 4.172 26.910 ( 2.895 4.148 -0.959) 5.148 26.998 ( -0.635 -3.086 8.674) 9.228 27.145 ( 5.495 0.556 3.370) 6.470 27.306 ( 3.132 -1.758 2.083) 4.152 27.395 ( -2.005 2.293 -1.414) 3.358 27.637 ( -1.510 1.460 -3.944) 4.469 27.910 ( 2.877 2.325 1.533) 4.004 28.104 ( -0.040 -1.820 0.290) 1.844 28.239 ( 1.497 7.073 1.683) 7.423 28.276 ( 2.390 -1.310 3.265) 4.253 28.343 ( 0.364 -0.217 0.439) 0.610 28.710 ( -2.367 3.172 0.563) 3.998 28.736 ( 2.145 -10.861 4.836) 12.081 28.971 ( 1.079 -6.499 2.562) 7.068 29.019 ( -1.627 -0.682 2.843) 3.346 29.065 ( -1.620 4.525 -3.429) 5.904 29.509 ( 1.922 -3.231 -0.875) 3.860 29.566 ( -2.433 6.349 0.245) 6.804 29.682 ( 1.563 2.431 0.432) 2.922 29.737 ( -9.510 5.311 -6.948) 12.920 29.890 ( 3.967 0.444 3.387) 5.235 30.379 ( -2.134 -2.907 1.316) 3.839 30.958 ( 11.637 -1.196 11.518) 16.417 31.171 ( 6.483 -0.620 -0.728) 6.553 31.542 ( -1.117 3.150 -10.737) 11.246 31.709 ( 0.980 5.256 -0.965) 5.433 31.897 ( 4.866 -3.646 -1.573) 6.281 32.003 ( 2.896 -4.532 -0.070) 5.378 32.049 ( -1.909 -0.039 -3.301) 3.814 32.260 ( -0.231 1.466 -2.646) 3.034 32.563 ( -1.215 -1.311 -0.935) 2.017 32.612 ( -1.340 1.918 0.732) 2.451 32.746 ( -2.542 -1.292 3.953) 4.874 33.076 ( -1.286 -5.348 -5.437) 7.734 33.103 ( 3.637 -2.428 3.927) 5.877 33.394 ( -1.355 5.909 5.075) 7.906 33.577 ( -2.875 6.165 1.791) 7.035 34.752 ( -10.777 -15.417 -13.176) 22.966 38.218 ( 0.526 1.740 2.327) 2.953 38.424 ( -2.195 1.600 0.812) 2.835 38.665 ( -2.823 2.609 4.922) 6.245 38.771 ( 1.673 -1.087 -4.946) 5.333 39.323 ( 1.054 -0.066 -1.647) 1.956 39.564 ( -5.530 2.954 -1.101) 6.365 39.718 ( 2.061 6.225 4.529) 7.969 40.085 ( -4.452 4.840 -3.803) 7.596 40.971 ( 2.079 -5.783 2.192) 6.525 41.160 ( 4.700 -7.437 -3.320) 9.403 41.451 ( 0.550 9.414 0.977) 9.481 41.818 ( 11.821 4.730 -12.199) 17.633 42.253 ( 1.042 0.580 1.160) 1.663 42.459 ( -0.301 -0.838 -1.512) 1.755 43.221 ( -8.279 -7.519 2.664) 11.496 43.250 ( -6.569 -6.469 0.211) 9.222 ======================= Grid point 131 (65/84) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 2.583 11.710 15.035) 19.231 2.124 ( 9.608 8.946 -11.276) 17.306 2.174 ( -16.411 5.991 7.297) 18.933 2.312 ( 15.658 7.895 -2.250) 17.679 2.561 ( -11.686 -5.289 0.828) 12.854 2.709 ( -0.669 0.377 -8.515) 8.549 2.999 ( -7.059 4.333 -0.969) 8.339 3.051 ( 14.658 -0.886 -6.249) 15.959 3.187 ( -6.079 -1.264 3.416) 7.087 3.223 ( 1.557 -1.351 -1.223) 2.397 3.395 ( -3.542 -0.582 6.012) 7.002 3.459 ( 1.486 -2.632 3.134) 4.353 3.470 ( -0.326 -4.786 1.696) 5.088 3.593 ( 2.344 -7.178 -5.467) 9.322 3.766 ( -1.984 3.333 5.895) 7.056 3.935 ( 9.858 9.915 -6.402) 15.377 3.966 ( -5.186 1.459 -2.737) 6.043 4.035 ( -0.754 4.701 -5.595) 7.347 4.281 ( 1.653 -4.650 5.800) 7.615 4.407 ( -2.662 -6.689 -4.736) 8.617 4.520 ( 0.468 -1.099 6.076) 6.192 4.596 ( 3.230 -5.142 1.773) 6.326 4.753 ( 5.279 -0.565 3.146) 6.171 4.852 ( -2.564 -8.337 -3.489) 9.395 5.102 ( 1.375 8.972 1.482) 9.197 5.156 ( -3.990 1.962 -3.819) 5.861 5.312 ( 2.588 11.911 4.182) 12.886 5.397 ( 1.023 2.195 0.841) 2.564 5.465 ( -2.246 5.489 -0.163) 5.933 5.606 ( 2.808 0.677 -3.813) 4.783 5.679 ( 0.429 0.982 -5.217) 5.326 5.722 ( -6.259 0.455 -8.434) 10.512 6.020 ( 2.052 -7.035 4.790) 8.754 6.130 ( 1.850 -1.802 -4.203) 4.933 6.293 ( -3.630 -10.170 7.935) 13.400 6.337 ( -4.936 -4.897 7.237) 10.036 6.407 ( 5.491 -1.730 0.663) 5.795 6.459 ( 4.142 -8.686 -1.604) 9.756 6.562 ( 6.102 -4.814 7.596) 10.868 6.689 ( 1.531 -6.788 3.046) 7.596 6.703 ( -4.890 -5.305 -6.188) 9.505 6.764 ( -5.810 1.224 0.354) 5.948 6.848 ( 3.555 0.435 2.406) 4.314 6.910 ( -4.880 -4.904 -4.652) 8.337 7.055 ( -5.156 -3.179 -1.555) 6.254 7.159 ( -2.240 -0.443 -9.027) 9.311 7.500 ( 2.040 3.603 3.749) 5.586 7.560 ( -1.047 5.877 -1.690) 6.204 7.733 ( 1.535 8.844 1.781) 9.151 7.788 ( 1.970 9.029 -3.041) 9.729 8.201 ( 0.683 -5.656 8.249) 10.025 8.387 ( 0.158 -0.561 -3.850) 3.894 8.545 ( 2.643 1.856 2.981) 4.395 8.633 ( -1.527 -1.498 -6.853) 7.179 8.930 ( -0.177 -5.825 2.747) 6.443 8.970 ( -1.652 -5.330 -0.984) 5.666 9.143 ( -0.041 -0.437 9.648) 9.658 9.343 ( -2.411 -2.596 -7.816) 8.582 9.591 ( 6.372 -0.632 1.709) 6.628 9.633 ( -2.057 0.230 -1.071) 2.330 9.723 ( -0.133 2.572 3.526) 4.366 9.742 ( -0.468 -2.360 4.800) 5.369 9.902 ( 1.179 3.720 2.043) 4.405 9.978 ( -5.512 5.564 -3.223) 8.469 10.030 ( 6.967 5.059 3.297) 9.220 10.135 ( -3.809 8.001 -4.084) 9.758 10.511 ( -0.605 -2.035 5.011) 5.442 10.629 ( -0.443 -1.863 -5.687) 6.001 10.937 ( -2.466 2.897 0.850) 3.898 10.987 ( -2.028 7.376 -4.011) 8.637 11.038 ( 6.440 -0.475 0.048) 6.458 11.047 ( 0.264 -0.386 0.743) 0.878 11.240 ( 2.466 1.111 -0.095) 2.706 11.297 ( -5.930 -2.178 -5.473) 8.358 11.880 ( 1.966 -0.806 4.650) 5.112 11.954 ( -1.766 0.256 -2.269) 2.886 12.343 ( -2.446 -0.826 5.160) 5.770 12.401 ( 2.353 -3.818 1.895) 4.869 12.450 ( 1.449 1.562 1.750) 2.757 12.525 ( -0.400 -1.869 -2.159) 2.884 12.724 ( 0.470 3.440 2.801) 4.461 12.781 ( -1.395 2.525 -1.854) 3.429 12.868 ( -0.349 -2.446 0.261) 2.484 12.907 ( 2.143 -2.392 -2.556) 4.104 13.191 ( 2.246 3.859 0.847) 4.545 13.205 ( -2.312 5.936 -0.207) 6.374 13.745 ( 3.659 -1.351 1.806) 4.298 13.791 ( -3.533 -1.910 -2.225) 4.591 13.967 ( 6.633 -3.388 2.031) 7.720 14.078 ( -7.777 -2.747 -7.779) 11.338 14.573 ( 0.976 -0.799 1.754) 2.160 14.610 ( -1.820 0.717 -1.342) 2.372 14.914 ( -0.771 4.302 1.671) 4.679 14.974 ( 1.223 1.129 -3.608) 3.974 15.166 ( 1.958 -8.225 9.352) 12.607 15.362 ( -2.341 -10.268 -7.992) 13.220 15.556 ( 3.946 -0.936 15.378) 15.904 15.696 ( -3.549 13.989 7.089) 16.080 15.743 ( 7.186 -4.131 -1.925) 8.509 15.793 ( 0.405 7.497 0.573) 7.530 16.186 ( 2.612 -0.750 -3.616) 4.523 16.260 ( -8.331 -2.528 -7.906) 11.760 16.643 ( 3.671 -1.007 1.265) 4.011 16.735 ( -7.508 0.067 -6.776) 10.114 17.026 ( 6.837 4.049 7.594) 10.991 17.182 ( -2.438 -0.400 -3.088) 3.955 17.293 ( 5.532 5.071 3.112) 8.124 17.514 ( -12.775 3.319 -13.527) 18.900 17.639 ( -1.510 -4.403 0.587) 4.692 17.673 ( -0.411 -3.024 -2.869) 4.189 18.063 ( 2.111 -2.444 -1.032) 3.390 18.099 ( -2.305 0.330 -2.875) 3.700 18.416 ( 3.712 -7.414 3.645) 9.057 18.498 ( -5.658 -7.334 -3.159) 9.787 18.795 ( 5.454 4.408 4.760) 8.475 18.907 ( -5.332 2.104 -4.964) 7.583 18.977 ( 4.113 3.605 4.836) 7.300 19.086 ( -5.163 3.585 -4.902) 7.971 19.331 ( 11.031 0.607 11.239) 15.759 19.488 ( 0.076 -2.095 -3.052) 3.702 19.543 ( 10.051 1.668 10.777) 14.831 19.779 ( 1.155 -0.692 5.757) 5.913 19.846 ( -5.589 2.338 -5.380) 8.103 19.862 ( 0.533 -1.709 1.428) 2.290 19.938 ( -1.164 2.794 -1.280) 3.286 20.065 ( -1.511 2.142 -7.604) 8.043 20.362 ( 12.729 -1.054 14.257) 19.141 20.629 ( -5.584 -7.606 -4.744) 10.561 20.787 ( 7.154 3.903 4.609) 9.363 20.987 ( -16.461 7.643 -15.853) 24.098 21.592 ( 16.451 -1.369 15.393) 22.571 21.901 ( -10.618 0.268 -9.702) 14.386 21.999 ( 2.858 -0.998 1.928) 3.589 22.043 ( -1.202 -2.660 -1.008) 3.088 22.119 ( 1.374 -0.845 -0.415) 1.665 22.228 ( -11.555 -3.512 -12.492) 17.375 22.362 ( 1.467 1.490 1.574) 2.617 22.413 ( -3.465 1.069 -3.009) 4.712 22.826 ( 3.461 -1.921 -0.636) 4.009 22.907 ( -11.425 -1.763 -10.122) 15.366 24.262 ( 18.228 8.516 18.130) 27.083 24.579 ( -14.771 8.203 -11.996) 20.721 25.261 ( 14.987 -6.392 14.541) 21.838 25.395 ( -1.562 -0.598 -1.236) 2.080 25.437 ( 3.334 -1.529 2.454) 4.413 25.594 ( -6.636 -6.893 -9.061) 13.178 26.184 ( -3.860 -1.321 8.514) 9.441 26.233 ( 2.028 -4.665 2.574) 5.701 26.427 ( 0.891 3.136 0.667) 3.328 26.564 ( -3.768 2.752 -8.876) 10.028 27.059 ( 7.957 -4.134 4.779) 10.160 27.071 ( -3.857 -4.981 5.138) 8.130 27.219 ( 0.704 -0.881 1.927) 2.232 27.305 ( -2.179 -2.557 -4.715) 5.789 27.401 ( 4.685 3.055 3.837) 6.783 27.516 ( -5.181 1.330 -6.395) 8.337 27.982 ( 1.846 4.272 3.222) 5.660 28.063 ( -2.063 2.482 -3.405) 4.692 28.272 ( 0.401 -0.388 2.383) 2.448 28.307 ( -0.736 -1.753 -0.544) 1.978 28.589 ( 16.091 -0.746 15.954) 22.672 28.695 ( -0.165 4.681 1.144) 4.822 28.742 ( -1.100 0.799 -2.494) 2.840 28.914 ( -10.974 -7.788 -9.565) 16.510 29.021 ( 0.915 -0.061 1.041) 1.387 29.048 ( 0.690 0.232 -1.111) 1.328 29.450 ( -8.305 5.753 6.068) 11.785 29.549 ( 4.716 -0.336 -1.013) 4.836 29.651 ( 1.018 2.401 -1.122) 2.839 29.673 ( -1.221 0.688 -1.279) 1.897 30.052 ( 4.733 -1.844 11.030) 12.144 30.344 ( 1.654 -8.869 -10.656) 13.963 31.116 ( 4.801 2.906 2.522) 6.152 31.290 ( -4.843 4.010 -10.225) 12.004 31.485 ( 10.442 -0.775 13.975) 17.462 31.766 ( -6.655 -2.555 -8.472) 11.072 31.811 ( 2.480 2.224 4.940) 5.958 31.953 ( -3.308 0.512 -5.359) 6.319 32.115 ( 6.153 -3.883 0.555) 7.297 32.169 ( -4.646 -1.851 -5.032) 7.095 32.561 ( -1.406 0.786 1.053) 1.924 32.586 ( 1.340 2.021 -1.251) 2.729 32.807 ( 1.203 -2.782 6.916) 7.551 32.963 ( -2.920 -2.245 -7.317) 8.192 33.206 ( 2.946 1.576 5.166) 6.152 33.337 ( -2.026 9.264 -6.298) 11.384 33.742 ( 0.981 -3.364 24.371) 24.622 34.307 ( -12.518 -9.013 -24.849) 29.247 38.281 ( 0.277 5.552 5.515) 7.831 38.392 ( 0.629 6.339 -3.244) 7.149 38.679 ( -2.292 -1.253 2.961) 3.948 38.745 ( 2.771 -1.767 -4.184) 5.320 39.356 ( 0.815 -2.470 3.838) 4.636 39.461 ( -2.352 1.589 -4.616) 5.419 39.818 ( 1.974 4.798 6.396) 8.235 39.955 ( -3.363 3.978 -6.265) 8.148 41.048 ( -0.192 -8.292 5.544) 9.977 41.170 ( 2.869 -8.338 -4.711) 9.997 41.504 ( 0.003 11.159 6.600) 12.965 41.775 ( 7.949 6.496 -18.237) 20.927 42.314 ( 2.032 0.028 4.481) 4.920 42.404 ( -2.420 -0.041 -3.557) 4.303 43.132 ( -12.042 -5.511 7.793) 15.366 43.247 ( 6.802 -6.220 -2.894) 9.661 ======================= Grid point 132 (66/84) ======================= q-point: (-0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -30.536 4.874 6.143) 31.527 1.893 ( -27.544 9.746 -16.451) 33.531 2.124 ( 6.801 14.571 0.122) 16.080 2.441 ( 11.189 3.182 4.441) 12.451 2.594 ( -13.637 8.181 3.619) 16.309 2.776 ( 8.333 2.797 0.954) 8.841 2.914 ( 15.151 -2.227 0.166) 15.315 3.107 ( 2.589 0.059 -2.608) 3.675 3.173 ( -1.987 -3.251 1.000) 3.939 3.294 ( 5.940 1.623 1.076) 6.251 3.392 ( -5.906 0.140 4.043) 7.158 3.488 ( 2.671 -1.434 -2.405) 3.870 3.499 ( 1.809 -4.027 1.903) 4.807 3.575 ( 2.129 -1.763 -2.406) 3.665 3.783 ( -4.724 3.327 0.056) 5.779 3.900 ( 6.455 -1.683 -3.270) 7.429 3.928 ( 2.897 8.084 0.171) 8.589 4.151 ( 9.564 3.909 0.087) 10.332 4.322 ( 0.608 -5.269 -5.039) 7.316 4.410 ( 5.056 -6.911 6.684) 10.863 4.544 ( -3.715 -1.804 -3.422) 5.363 4.578 ( -0.501 -5.003 -6.049) 7.866 4.706 ( -5.069 -4.465 -1.669) 6.958 4.879 ( 4.514 -5.704 2.082) 7.566 5.024 ( -5.005 1.850 2.246) 5.789 5.231 ( 4.431 6.926 1.088) 8.293 5.310 ( -3.603 11.998 -6.908) 14.306 5.387 ( -0.906 0.526 -1.724) 2.018 5.468 ( -5.032 2.893 3.623) 6.842 5.535 ( -0.152 2.647 6.986) 7.473 5.601 ( 2.034 3.831 -4.455) 6.218 5.822 ( 8.018 -0.858 4.675) 9.321 6.059 ( -3.248 -1.321 1.411) 3.780 6.108 ( 4.466 -2.093 -6.342) 8.034 6.199 ( -11.588 -2.811 2.705) 12.227 6.360 ( -4.664 -8.365 -2.616) 9.928 6.390 ( -5.326 -8.478 -4.017) 10.788 6.502 ( 2.886 -1.534 -3.343) 4.675 6.580 ( 2.415 -7.724 -7.482) 11.021 6.624 ( -0.797 -8.945 5.642) 10.606 6.778 ( 5.081 -2.191 0.946) 5.614 6.799 ( 0.774 -4.869 5.400) 7.312 6.867 ( 6.939 -1.146 1.446) 7.180 6.975 ( 6.068 -4.941 7.257) 10.672 7.069 ( 5.458 3.328 3.577) 7.326 7.189 ( 7.631 -3.012 4.168) 9.202 7.459 ( -7.027 5.204 -2.892) 9.210 7.561 ( 1.519 1.690 2.155) 3.132 7.713 ( -1.648 3.961 -2.488) 4.959 7.805 ( 1.993 11.432 -2.811) 11.940 8.276 ( 1.535 -9.229 -4.443) 10.357 8.374 ( 2.946 -0.178 2.123) 3.636 8.514 ( -5.579 1.656 -4.468) 7.337 8.565 ( -3.535 2.105 4.635) 6.198 8.943 ( -0.692 -5.026 0.254) 5.080 8.999 ( 4.325 -6.946 1.701) 8.357 9.205 ( -1.446 -0.634 -5.203) 5.438 9.274 ( -1.535 -2.385 7.021) 7.572 9.487 ( -7.810 4.287 -1.622) 9.056 9.629 ( -4.955 2.237 -3.523) 6.478 9.744 ( 0.820 -2.665 1.911) 3.381 9.786 ( 0.574 -1.922 -2.065) 2.879 9.892 ( 0.082 2.632 0.535) 2.687 9.951 ( -4.544 5.562 -3.784) 8.118 10.054 ( 3.299 6.366 2.498) 7.593 10.217 ( 10.948 5.898 1.850) 12.573 10.508 ( -3.486 -3.690 1.578) 5.316 10.610 ( 1.542 -0.141 0.912) 1.797 10.881 ( -9.119 4.303 0.596) 10.101 10.901 ( -3.975 4.951 1.024) 6.431 11.067 ( 3.531 -1.530 -4.419) 5.859 11.120 ( 6.752 1.203 -0.821) 6.908 11.229 ( 1.833 -1.773 3.053) 3.978 11.362 ( 7.961 -0.292 3.227) 8.596 11.878 ( -1.957 -1.406 -1.944) 3.096 11.976 ( 3.194 2.102 1.406) 4.074 12.292 ( -6.504 -3.086 1.049) 7.275 12.414 ( -5.271 -2.231 -3.027) 6.475 12.455 ( 1.616 0.623 -0.439) 1.787 12.536 ( 2.283 2.433 0.150) 3.340 12.722 ( -1.253 0.148 -0.223) 1.281 12.801 ( 3.023 4.167 0.858) 5.219 12.878 ( 1.005 -5.554 -0.219) 5.648 12.912 ( 2.918 1.831 -1.234) 3.659 13.143 ( -3.025 5.618 -0.193) 6.383 13.277 ( 6.005 3.742 0.029) 7.076 13.678 ( -7.233 -0.982 -1.764) 7.510 13.816 ( 1.206 -2.686 2.347) 3.765 13.889 ( -6.836 -1.126 -4.500) 8.262 14.127 ( 7.316 -4.602 6.273) 10.680 14.566 ( -1.496 0.160 -0.788) 1.699 14.611 ( 0.029 0.608 1.550) 1.665 14.931 ( -0.448 2.346 1.675) 2.917 14.956 ( 2.007 2.899 -1.839) 3.977 15.202 ( -4.557 -8.855 -8.839) 13.315 15.315 ( 1.844 -7.902 8.775) 11.952 15.577 ( -8.200 -1.077 -1.444) 8.395 15.637 ( -4.960 1.978 -7.801) 9.454 15.767 ( -3.100 5.398 -3.347) 7.068 15.843 ( 7.242 6.268 -1.537) 9.700 16.133 ( 0.375 1.216 3.892) 4.095 16.330 ( 9.334 -5.018 5.906) 12.132 16.590 ( -4.410 -0.280 -0.395) 4.436 16.771 ( 5.380 0.434 6.189) 8.212 16.987 ( -8.048 2.686 -8.023) 11.676 17.170 ( -3.417 1.950 -1.901) 4.369 17.277 ( 2.384 7.343 1.288) 7.827 17.564 ( 6.733 2.893 8.771) 11.429 17.631 ( -0.379 -4.983 2.331) 5.514 17.694 ( 7.055 -3.605 4.807) 9.267 18.028 ( -1.653 -2.447 0.547) 3.004 18.119 ( 3.137 0.170 1.428) 3.451 18.374 ( -4.010 -7.184 -0.831) 8.269 18.559 ( 5.295 -5.691 2.890) 8.293 18.755 ( -5.749 3.792 -5.050) 8.540 18.939 ( 4.013 5.009 3.029) 7.097 18.978 ( -0.457 1.505 -2.714) 3.137 19.125 ( 5.778 2.448 4.810) 7.906 19.240 ( -17.119 3.693 -15.574) 23.436 19.452 ( -3.200 -3.001 -2.001) 4.821 19.526 ( -1.112 0.052 -2.512) 2.748 19.781 ( -12.812 -4.086 -17.839) 22.340 19.842 ( -1.845 -0.935 -1.066) 2.328 19.891 ( 5.506 0.314 6.581) 8.586 19.955 ( 3.277 5.809 5.531) 8.665 20.043 ( 5.598 2.214 6.003) 8.502 20.308 ( -10.962 2.359 -12.584) 16.855 20.667 ( 4.807 -6.840 3.937) 9.241 20.731 ( -4.223 -0.355 -1.500) 4.496 21.086 ( 15.342 8.289 14.178) 22.475 21.502 ( -13.708 -0.522 -14.034) 19.624 21.951 ( 4.134 0.157 4.374) 6.020 21.984 ( 0.034 -0.085 -0.228) 0.246 22.050 ( 0.060 -3.678 0.244) 3.686 22.108 ( 1.542 -0.667 1.545) 2.282 22.285 ( 9.037 -3.820 9.469) 13.635 22.357 ( 1.388 1.430 1.803) 2.687 22.434 ( 2.888 -0.705 2.934) 4.177 22.768 ( -3.029 -0.480 1.432) 3.385 22.992 ( 14.091 -2.708 12.438) 18.990 24.139 ( -20.085 8.987 -17.220) 27.941 24.670 ( 11.926 8.058 11.309) 18.305 25.177 ( -16.542 -6.507 -18.896) 25.943 25.407 ( 0.920 -1.276 0.413) 1.627 25.428 ( 0.162 -0.171 -0.486) 0.540 25.623 ( 5.654 -4.949 5.270) 9.178 26.170 ( -6.080 -6.693 3.502) 9.697 26.276 ( 1.401 -4.034 -3.926) 5.801 26.442 ( 2.551 1.040 -0.331) 2.774 26.603 ( 10.089 6.109 6.346) 13.393 26.948 ( -10.903 -1.377 -3.071) 11.410 27.129 ( -1.021 -4.565 -2.366) 5.242 27.226 ( -2.131 -3.696 -2.570) 4.980 27.324 ( 4.064 -3.467 1.336) 5.507 27.367 ( -2.555 4.005 -1.880) 5.109 27.534 ( 4.315 2.467 4.920) 6.994 27.966 ( -3.382 2.970 -2.436) 5.118 28.081 ( 3.582 5.470 2.521) 7.008 28.289 ( 0.173 -0.929 -1.518) 1.788 28.310 ( 0.943 -1.772 1.391) 2.443 28.509 ( -14.226 0.416 -16.629) 21.888 28.712 ( 1.289 2.412 -0.214) 2.743 28.749 ( 2.679 0.211 2.135) 3.433 28.978 ( 4.842 -7.325 3.877) 9.598 29.035 ( -0.376 1.260 -0.053) 1.315 29.056 ( 7.081 -2.656 2.194) 7.874 29.458 ( -3.051 -0.262 5.266) 6.091 29.607 ( 0.846 4.929 1.230) 5.150 29.629 ( 5.234 2.618 -3.582) 6.861 29.698 ( 2.984 1.303 0.876) 3.372 30.093 ( -4.878 -6.508 -15.412) 17.426 30.295 ( 5.938 -2.120 6.685) 9.189 31.064 ( -7.396 4.383 -6.532) 10.797 31.283 ( 5.293 2.877 8.432) 10.363 31.431 ( -14.235 -1.339 -14.649) 20.470 31.744 ( -1.717 -2.477 3.206) 4.400 31.817 ( -0.842 0.788 0.129) 1.160 31.954 ( 3.374 0.791 4.919) 6.017 32.043 ( -4.951 -2.525 -2.450) 6.074 32.195 ( 2.697 -0.724 1.876) 3.364 32.539 ( -0.546 -0.379 1.236) 1.403 32.636 ( 4.555 2.633 -1.291) 5.417 32.833 ( -2.397 -1.530 -4.525) 5.344 32.927 ( 1.178 -4.951 7.339) 8.931 33.219 ( -2.111 2.123 -6.280) 6.957 33.333 ( 4.480 8.902 5.341) 11.307 33.860 ( -8.448 -5.104 -17.638) 20.212 34.207 ( 8.764 -10.071 34.446) 36.942 38.292 ( -2.707 6.240 -1.466) 6.958 38.422 ( 6.857 8.894 -0.467) 11.240 38.678 ( -2.216 -3.966 2.731) 5.301 38.746 ( 3.523 1.892 -2.844) 4.907 39.331 ( -4.467 -1.079 -1.102) 4.725 39.496 ( 6.145 -0.158 3.334) 6.993 39.823 ( -3.529 4.035 -4.265) 6.850 39.962 ( 4.879 3.923 6.491) 9.018 41.069 ( -3.665 -7.883 1.838) 8.886 41.127 ( 0.318 -9.683 -6.401) 11.612 41.575 ( -3.324 8.903 3.850) 10.254 41.608 ( 0.330 11.341 -12.507) 16.886 42.319 ( -2.228 0.326 -3.832) 4.445 42.401 ( 1.829 -1.066 4.015) 4.539 43.095 ( -7.351 -6.190 9.713) 13.663 43.338 ( 10.142 -6.474 -2.952) 12.389 ======================= Grid point 133 (67/84) ======================= q-point: (-0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -32.168 17.982 -21.753) 42.794 1.449 ( -27.241 10.155 18.922) 34.688 2.273 ( 10.727 8.942 -0.113) 13.966 2.426 ( -24.094 25.525 27.654) 44.685 2.730 ( 14.041 2.275 6.998) 15.853 2.851 ( -0.188 -0.071 -6.928) 6.931 3.075 ( 3.994 -1.702 -3.000) 5.277 3.143 ( 3.526 -3.275 0.865) 4.889 3.179 ( 4.395 -4.233 2.627) 6.643 3.332 ( -1.269 0.958 -4.240) 4.528 3.376 ( 1.646 1.381 2.485) 3.285 3.472 ( 3.480 -2.768 -4.807) 6.549 3.549 ( -0.653 1.534 2.641) 3.123 3.666 ( 10.238 5.219 0.789) 11.518 3.753 ( 6.026 2.291 -4.081) 7.630 3.920 ( 5.869 1.441 -3.587) 7.028 4.026 ( -0.085 1.309 2.954) 3.232 4.192 ( 0.684 0.288 -1.028) 1.268 4.274 ( -1.261 -6.176 -3.894) 7.409 4.450 ( 1.169 -0.318 -5.606) 5.735 4.519 ( 2.130 -3.773 -3.548) 5.600 4.571 ( 6.567 -4.576 1.831) 8.211 4.677 ( 0.002 -6.772 -0.727) 6.811 4.945 ( 4.129 1.168 -1.022) 4.411 5.012 ( -4.091 -0.747 6.051) 7.342 5.217 ( -2.415 7.019 -0.698) 7.455 5.225 ( -2.328 2.345 -1.260) 3.536 5.323 ( 1.182 3.625 -0.947) 3.929 5.485 ( -3.107 5.077 1.044) 6.043 5.594 ( -0.555 2.286 3.949) 4.596 5.653 ( 1.042 -0.036 7.753) 7.823 5.849 ( -16.125 -3.734 -11.420) 20.109 5.936 ( -2.921 5.669 0.845) 6.433 6.051 ( -1.194 1.260 1.154) 2.085 6.137 ( 1.181 -1.574 -0.753) 2.107 6.196 ( -0.763 3.030 -1.674) 3.545 6.345 ( -4.916 -7.328 -4.139) 9.747 6.509 ( 7.253 -3.277 -2.929) 8.481 6.537 ( 2.199 -8.082 -2.873) 8.855 6.719 ( 2.747 -5.908 1.974) 6.808 6.837 ( 3.761 -1.882 -0.970) 4.316 6.909 ( 5.491 -1.892 0.554) 5.834 6.975 ( 0.911 -2.202 3.027) 3.853 7.136 ( 4.537 -3.783 -0.455) 5.925 7.262 ( 7.969 7.612 7.112) 13.116 7.348 ( 5.460 -5.362 5.624) 9.497 7.412 ( 3.318 -4.578 4.212) 7.050 7.596 ( -0.721 -2.734 0.333) 2.847 7.637 ( -1.086 -0.737 -4.743) 4.921 7.794 ( 1.859 0.179 -0.979) 2.109 8.240 ( -7.819 -1.249 -7.106) 10.639 8.281 ( -1.818 -5.111 -2.254) 5.875 8.441 ( 6.431 -2.794 -0.223) 7.015 8.687 ( -0.242 4.006 11.140) 11.841 8.898 ( -1.279 -0.972 -5.023) 5.274 9.092 ( 5.406 -9.702 0.685) 11.128 9.139 ( -0.351 1.843 -5.145) 5.476 9.275 ( -7.216 -1.120 3.388) 8.050 9.381 ( -5.418 3.967 -0.798) 6.762 9.534 ( -5.814 -0.771 -3.541) 6.851 9.605 ( -3.294 2.184 -5.071) 6.430 9.776 ( -5.330 -4.962 -2.083) 7.574 9.847 ( -0.484 0.797 0.764) 1.206 9.993 ( 7.042 0.945 1.970) 7.373 10.041 ( -3.982 14.116 -3.580) 15.097 10.390 ( 8.793 -0.919 1.192) 8.921 10.566 ( 4.252 -2.612 3.322) 5.995 10.660 ( 0.494 -0.399 5.708) 5.744 10.755 ( -7.991 1.677 2.726) 8.608 10.890 ( -1.277 4.636 3.750) 6.098 11.078 ( 4.149 -4.825 -2.634) 6.887 11.214 ( 3.860 0.937 0.280) 3.982 11.297 ( 3.277 0.346 -0.703) 3.369 11.513 ( 6.718 -2.839 3.736) 8.195 11.855 ( 2.671 -0.298 -2.008) 3.355 12.010 ( 0.427 4.573 -0.462) 4.616 12.218 ( -4.901 -1.241 -1.682) 5.328 12.290 ( -3.376 -4.015 -2.836) 5.963 12.434 ( -2.477 2.318 -0.663) 3.457 12.542 ( -0.027 2.464 -2.358) 3.411 12.715 ( -0.649 -1.497 0.187) 1.642 12.824 ( 4.238 4.730 -2.570) 6.851 12.896 ( 0.847 -4.425 -0.124) 4.507 12.995 ( 5.010 0.261 3.883) 6.344 13.115 ( -0.483 3.828 0.219) 3.864 13.356 ( 6.021 0.958 -1.270) 6.227 13.547 ( -8.085 -0.405 -0.373) 8.104 13.785 ( -6.049 3.685 3.656) 7.971 13.842 ( -0.815 -1.339 0.559) 1.665 14.302 ( 5.003 -6.547 5.640) 9.986 14.514 ( -4.914 0.990 -2.183) 5.468 14.638 ( 1.410 4.226 2.602) 5.159 14.916 ( -0.984 1.782 -2.260) 3.041 14.978 ( 0.789 3.219 -4.375) 5.489 15.053 ( -0.442 -2.226 0.215) 2.279 15.375 ( -3.467 -1.481 -8.549) 9.343 15.414 ( -3.724 -3.420 -0.755) 5.112 15.533 ( -1.980 -1.139 0.348) 2.310 15.672 ( -2.013 1.041 0.596) 2.343 15.854 ( 4.777 6.855 -9.138) 12.382 16.247 ( 1.223 1.490 6.218) 6.510 16.485 ( 3.893 -10.022 1.612) 10.872 16.630 ( 2.329 -2.358 8.046) 8.702 16.743 ( -6.444 -0.916 -5.555) 8.557 16.916 ( -1.973 5.215 1.559) 5.790 17.114 ( -0.226 5.768 3.826) 6.925 17.371 ( 4.019 10.068 -1.151) 10.902 17.594 ( -1.196 0.973 -0.858) 1.764 17.631 ( -2.180 -4.726 3.199) 6.109 17.989 ( 6.744 -4.133 8.702) 11.759 18.076 ( 4.003 -0.546 2.185) 4.593 18.268 ( 3.875 -1.374 5.316) 6.720 18.362 ( -2.184 -6.084 0.880) 6.524 18.576 ( -2.568 -1.524 -5.467) 6.229 18.614 ( -11.261 6.487 -10.057) 16.433 18.696 ( 4.053 7.187 6.885) 10.747 18.995 ( -2.604 -7.519 -6.050) 9.995 19.075 ( -10.789 -1.661 -11.527) 15.875 19.215 ( 8.657 0.456 7.321) 11.347 19.321 ( -6.418 -3.171 -6.732) 9.827 19.359 ( 0.454 3.727 -3.298) 4.997 19.557 ( 0.632 -0.966 1.166) 1.640 19.822 ( 0.408 -2.387 0.605) 2.496 19.956 ( -0.582 -0.241 0.376) 0.733 20.027 ( -2.336 1.491 4.415) 5.212 20.100 ( -1.300 4.474 -0.911) 4.747 20.319 ( 9.053 7.322 6.917) 13.543 20.583 ( -4.283 -2.332 -6.428) 8.068 20.765 ( 1.530 -5.392 -1.308) 5.756 21.264 ( -0.664 -1.434 -1.230) 2.002 21.415 ( 5.055 5.590 5.062) 9.079 21.932 ( -1.189 -0.807 -0.146) 1.444 22.010 ( -0.334 -0.761 -0.063) 0.833 22.063 ( -1.167 -0.660 1.648) 2.125 22.163 ( 2.024 -1.736 0.407) 2.697 22.290 ( -1.038 1.305 -1.713) 2.390 22.442 ( -2.821 -1.178 0.351) 3.077 22.594 ( 2.727 -8.002 7.407) 11.240 22.883 ( 9.718 4.376 11.188) 15.452 23.522 ( 16.316 -5.520 19.108) 25.726 23.611 ( -18.182 9.453 -17.162) 26.730 24.641 ( -12.501 -4.046 -16.529) 21.115 24.897 ( 3.162 10.249 2.517) 11.017 25.411 ( 0.497 -0.576 0.309) 0.821 25.463 ( 2.331 -0.375 0.498) 2.413 25.680 ( -0.429 0.741 0.425) 0.956 26.116 ( -6.681 -13.840 0.916) 15.396 26.212 ( 2.500 -3.570 -7.144) 8.369 26.551 ( 6.489 -3.430 2.356) 7.708 26.737 ( -1.573 -2.080 -1.205) 2.873 26.883 ( 4.939 7.742 6.103) 11.026 27.045 ( -4.935 -0.327 -5.514) 7.407 27.118 ( 0.743 2.326 -3.008) 3.874 27.287 ( -3.408 -1.040 -5.191) 6.296 27.422 ( 3.197 2.220 0.694) 3.954 27.620 ( -0.036 2.529 2.197) 3.350 27.880 ( -2.822 0.425 -1.489) 3.218 28.088 ( -3.498 -0.619 -1.893) 4.025 28.237 ( -0.819 10.009 -2.109) 10.262 28.286 ( 0.149 -1.190 -1.983) 2.318 28.340 ( -0.088 -0.867 0.398) 0.958 28.738 ( -1.205 -13.803 -2.680) 14.112 28.759 ( 2.195 3.627 -0.894) 4.333 28.958 ( -2.902 -5.376 -1.347) 6.256 29.060 ( 1.796 4.553 2.721) 5.600 29.086 ( 0.847 -4.570 -6.069) 7.644 29.474 ( -1.022 -1.356 1.809) 2.481 29.572 ( -2.603 3.831 -2.036) 5.060 29.686 ( 0.550 3.148 -3.307) 4.599 29.800 ( 2.578 0.942 3.806) 4.693 29.916 ( 5.263 9.510 -5.648) 12.250 30.450 ( 7.986 -0.759 2.151) 8.305 30.877 ( -11.692 0.411 -9.238) 14.907 31.055 ( -10.213 0.155 -2.332) 10.477 31.470 ( 0.457 -1.163 8.094) 8.190 31.686 ( -0.266 5.769 2.259) 6.201 31.789 ( -8.528 -3.513 -0.651) 9.246 31.956 ( -2.686 -1.969 -0.734) 3.410 32.077 ( 4.950 0.861 4.466) 6.723 32.228 ( -1.922 3.454 1.562) 4.250 32.577 ( 1.954 -1.841 1.126) 2.912 32.654 ( 2.413 0.455 -2.434) 3.457 32.803 ( 1.731 -1.697 -0.525) 2.480 33.009 ( -2.128 -5.916 5.442) 8.315 33.112 ( -1.686 -2.780 -5.389) 6.293 33.450 ( 2.882 8.583 -1.262) 9.142 33.622 ( -0.840 0.756 -3.769) 3.935 34.733 ( 5.491 -24.293 21.412) 32.845 38.231 ( -0.667 3.796 -2.487) 4.587 38.495 ( 4.815 1.016 -3.875) 6.263 38.692 ( -1.075 -4.066 2.315) 4.801 38.801 ( 9.505 13.355 -2.234) 16.544 39.287 ( -1.349 1.215 1.924) 2.646 39.636 ( 6.526 1.358 3.027) 7.321 39.722 ( -2.584 5.672 -4.211) 7.522 40.121 ( 4.463 4.103 3.388) 6.946 40.962 ( -3.591 -4.874 -5.399) 8.112 41.059 ( -4.433 -7.062 3.502) 9.044 41.452 ( -1.688 9.169 -3.343) 9.904 41.604 ( -6.455 9.001 6.351) 12.768 42.258 ( -0.598 0.280 -2.236) 2.332 42.446 ( -0.401 -1.966 1.121) 2.299 43.190 ( 1.479 -11.318 12.863) 17.197 43.451 ( 10.121 -7.462 -2.788) 12.880 ======================= Grid point 134 (68/84) ======================= q-point: (-0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 24.526 27.496 28.601) 46.643 1.491 ( -12.946 7.051 33.378) 36.488 2.382 ( 4.915 7.299 0.446) 8.810 2.568 ( -11.398 20.076 29.012) 37.076 2.676 ( -3.028 4.113 -10.340) 11.532 2.960 ( 5.696 1.538 3.695) 6.961 3.097 ( -0.395 -0.943 1.357) 1.699 3.181 ( -2.144 -1.952 8.132) 8.633 3.262 ( -2.032 2.007 3.665) 4.647 3.268 ( 5.717 -2.579 -6.088) 8.740 3.401 ( 2.305 2.768 -2.194) 4.217 3.516 ( 5.139 -0.984 -1.529) 5.451 3.601 ( 2.647 2.850 1.999) 4.373 3.747 ( 3.086 1.649 -3.058) 4.647 3.826 ( 8.083 0.633 -7.622) 11.128 3.952 ( 1.286 -1.671 -3.268) 3.889 4.027 ( 2.244 3.458 4.103) 5.816 4.175 ( -1.100 -0.009 -4.185) 4.327 4.285 ( 4.277 -9.812 2.324) 10.953 4.348 ( -2.167 1.872 -5.514) 6.214 4.505 ( 2.404 -2.219 -4.782) 5.794 4.612 ( -0.292 -3.557 -2.322) 4.258 4.659 ( 1.999 1.423 -4.175) 4.842 4.910 ( -5.000 3.653 -2.578) 6.708 5.059 ( -0.950 0.742 1.295) 1.769 5.190 ( -2.576 -0.944 0.968) 2.909 5.228 ( -2.477 -0.421 -0.195) 2.520 5.337 ( 0.199 0.435 -8.034) 8.048 5.425 ( -2.656 0.899 1.257) 3.073 5.538 ( -3.344 6.097 6.355) 9.421 5.652 ( -1.019 4.453 3.131) 5.538 5.740 ( 0.294 0.164 1.304) 1.346 5.974 ( 5.585 5.391 3.538) 8.530 6.016 ( -1.219 0.611 -2.309) 2.682 6.065 ( -2.706 5.764 -3.213) 7.132 6.215 ( -2.754 -6.024 0.287) 6.630 6.328 ( 2.480 -8.131 6.806) 10.890 6.472 ( -1.769 -5.612 -6.530) 8.790 6.644 ( 8.864 -4.643 3.227) 10.514 6.698 ( -1.800 -3.405 -6.822) 7.834 6.882 ( 2.575 1.196 0.919) 2.984 6.948 ( -5.085 -1.678 -1.987) 5.711 6.968 ( 2.366 0.030 -0.365) 2.394 7.150 ( 1.294 -3.009 -3.892) 5.087 7.333 ( -0.614 3.120 -7.078) 7.760 7.446 ( 1.895 5.558 0.419) 5.887 7.548 ( 8.638 -9.026 2.461) 12.734 7.548 ( -4.884 -10.665 2.589) 12.013 7.639 ( 2.256 1.022 1.604) 2.951 7.754 ( -0.923 -2.075 -6.001) 6.416 8.150 ( -0.728 -6.306 3.678) 7.336 8.247 ( 0.631 -2.509 1.472) 2.977 8.612 ( 3.258 -2.608 3.266) 5.299 8.717 ( -0.415 -5.751 -0.516) 5.789 8.811 ( 0.264 9.488 -6.282) 11.382 9.022 ( -4.095 -1.044 -2.624) 4.974 9.164 ( -2.389 -0.042 0.470) 2.435 9.181 ( -2.047 -3.774 -5.937) 7.327 9.309 ( -1.875 -2.944 0.098) 3.492 9.371 ( -5.406 7.529 -0.922) 9.314 9.617 ( 0.418 3.219 0.206) 3.253 9.739 ( 1.681 -11.327 4.188) 12.193 9.891 ( 0.930 2.054 2.571) 3.419 9.939 ( -1.281 8.787 -0.226) 8.883 10.074 ( 2.092 -0.547 -1.730) 2.770 10.454 ( 1.529 1.867 -4.705) 5.288 10.641 ( 0.332 -5.766 2.966) 6.493 10.663 ( -0.918 -5.990 1.917) 6.356 10.808 ( -1.354 -0.489 7.498) 7.635 10.982 ( 2.657 4.106 9.728) 10.888 11.093 ( 2.236 -6.344 -4.847) 8.291 11.200 ( -0.147 2.162 -0.627) 2.256 11.330 ( 2.917 0.684 -2.742) 4.061 11.600 ( 0.259 -5.855 -2.262) 6.282 11.883 ( 5.220 1.100 -2.899) 6.072 11.989 ( -1.759 5.425 -0.977) 5.786 12.126 ( -1.077 -0.205 0.002) 1.096 12.277 ( 0.735 -2.444 0.008) 2.552 12.382 ( -3.266 2.302 -0.807) 4.077 12.481 ( -1.891 2.434 -4.289) 5.281 12.722 ( 0.877 -2.210 1.373) 2.745 12.854 ( 1.025 3.622 -1.232) 3.961 12.923 ( 4.765 -2.312 -0.491) 5.319 13.040 ( -2.811 3.922 0.911) 4.911 13.204 ( 8.354 -2.938 4.106) 9.761 13.423 ( 2.992 -2.757 0.510) 4.100 13.465 ( -3.092 1.455 1.238) 3.634 13.732 ( -8.197 2.173 -0.102) 8.481 13.861 ( 1.251 3.571 5.726) 6.863 14.320 ( -5.549 -7.136 -4.858) 10.262 14.452 ( 0.668 2.412 1.740) 3.048 14.637 ( -3.830 3.880 -2.212) 5.883 14.876 ( 2.402 3.023 -0.475) 3.890 15.003 ( 2.650 7.149 1.757) 7.824 15.133 ( 4.411 -3.296 3.646) 6.604 15.218 ( 0.295 1.849 -7.011) 7.256 15.330 ( -5.455 -2.124 -0.899) 5.923 15.543 ( 0.903 4.988 -1.100) 5.187 15.705 ( -0.128 -2.947 4.016) 4.983 15.808 ( 5.170 2.593 -7.912) 9.800 16.277 ( -3.245 -0.433 1.437) 3.576 16.518 ( 0.351 -9.997 -0.598) 10.021 16.562 ( -6.452 -2.058 -3.019) 7.414 16.818 ( 2.581 4.321 4.056) 6.464 16.857 ( -1.699 -4.585 2.122) 5.330 17.167 ( -2.864 7.873 -1.381) 8.491 17.351 ( 0.655 7.728 -1.639) 7.927 17.539 ( -1.439 2.041 -0.326) 2.518 17.638 ( -1.096 -1.480 0.692) 1.968 17.951 ( -8.049 1.940 -7.820) 11.388 18.090 ( -2.774 1.409 -0.580) 3.165 18.156 ( -9.318 -6.081 -6.250) 12.762 18.368 ( -2.256 -3.705 0.160) 4.341 18.491 ( -4.069 -1.119 -5.829) 7.197 18.620 ( 5.064 2.712 4.253) 7.148 18.725 ( 10.622 -2.004 11.544) 15.815 19.028 ( 0.360 0.969 -1.754) 2.036 19.109 ( -0.768 0.340 -0.996) 1.303 19.221 ( 4.104 -1.640 3.951) 5.928 19.389 ( 12.636 2.454 10.446) 16.577 19.513 ( 10.209 -2.727 10.560) 14.939 19.560 ( -0.635 0.130 -0.432) 0.779 19.871 ( 2.652 -3.364 3.061) 5.265 19.929 ( 0.888 -0.590 -2.072) 2.330 20.016 ( -4.354 -0.832 1.161) 4.582 20.106 ( -0.495 6.206 2.488) 6.704 20.382 ( -6.943 2.382 -5.585) 9.223 20.531 ( 6.234 2.435 2.730) 7.228 20.722 ( -1.579 -3.540 -4.418) 5.877 21.360 ( 7.496 -1.996 7.982) 11.130 21.393 ( -6.505 7.931 -7.907) 12.951 21.932 ( 0.118 -0.994 1.160) 1.532 21.993 ( -1.425 1.846 -0.376) 2.362 22.071 ( -0.362 -3.064 2.989) 4.295 22.166 ( -0.273 -1.779 -1.446) 2.309 22.260 ( -0.011 1.378 -1.867) 2.320 22.400 ( -2.227 0.302 -0.226) 2.258 22.613 ( -5.314 -8.149 0.523) 9.743 22.850 ( -14.387 3.947 -13.965) 20.435 23.439 ( -20.698 -9.559 -19.297) 29.869 23.592 ( 17.372 10.349 17.979) 27.058 24.708 ( 6.755 -0.519 4.129) 7.934 24.947 ( 9.491 9.668 10.076) 16.884 25.438 ( 1.918 -0.245 1.887) 2.701 25.484 ( 0.318 -0.701 -0.911) 1.193 25.679 ( 0.357 2.666 0.838) 2.817 25.988 ( -8.717 -9.011 -0.812) 12.564 26.186 ( 4.686 -6.262 -6.032) 9.877 26.609 ( 0.182 -7.645 0.261) 7.652 26.811 ( 0.518 -1.548 3.665) 4.013 26.856 ( -3.045 5.556 -6.940) 9.397 26.902 ( -1.767 2.781 -2.477) 4.122 27.129 ( -0.983 6.820 -1.446) 7.041 27.227 ( 1.789 -9.200 -2.138) 9.613 27.486 ( 2.645 1.693 -0.806) 3.242 27.617 ( -1.304 3.147 -1.608) 3.767 27.869 ( 0.779 -1.401 1.577) 2.249 28.141 ( 7.445 -3.117 3.929) 8.977 28.204 ( -0.036 4.453 0.884) 4.540 28.289 ( 2.337 5.044 0.652) 5.598 28.346 ( 1.528 0.803 1.437) 2.246 28.768 ( 1.106 2.130 -2.030) 3.144 28.782 ( 8.272 -9.603 6.275) 14.143 28.925 ( -1.200 -5.159 1.285) 5.451 29.016 ( 0.384 1.522 -1.698) 2.312 29.133 ( 2.026 3.539 0.027) 4.078 29.474 ( -3.292 1.846 -1.245) 3.974 29.502 ( -1.674 0.477 -3.504) 3.913 29.607 ( -0.507 4.671 -4.514) 6.516 29.807 ( -1.693 -1.156 1.064) 2.309 29.919 ( -4.025 2.671 -2.719) 5.543 30.338 ( -12.287 -5.050 -15.815) 20.654 30.849 ( 11.502 3.707 7.508) 14.227 31.041 ( 2.616 3.750 7.630) 8.895 31.514 ( -6.851 -0.113 0.300) 6.858 31.613 ( -6.520 -0.829 -0.478) 6.590 31.759 ( 1.100 5.736 3.511) 6.815 31.958 ( 0.698 -2.299 1.213) 2.692 32.180 ( -1.685 5.435 1.544) 5.896 32.227 ( 3.011 0.146 6.676) 7.325 32.577 ( -1.150 -1.129 -1.944) 2.525 32.683 ( 3.582 -0.131 -1.260) 3.800 32.823 ( 1.329 -3.483 -0.584) 3.774 32.956 ( -4.802 -2.557 -3.525) 6.482 33.089 ( -1.022 -7.272 3.422) 8.102 33.347 ( -2.483 -2.643 -7.759) 8.565 33.769 ( 9.907 9.942 8.727) 16.527 34.712 ( -19.360 -16.112 -5.139) 25.706 38.232 ( 1.398 -2.317 1.363) 3.030 38.463 ( -0.056 -5.119 -5.633) 7.612 38.698 ( -0.692 -1.991 1.332) 2.493 38.877 ( 8.018 9.679 -9.034) 15.479 39.336 ( 1.661 8.509 3.711) 9.431 39.603 ( -2.721 8.342 -5.814) 10.526 39.788 ( 7.073 2.005 2.677) 7.824 40.056 ( -10.335 7.413 -1.621) 12.821 41.034 ( 1.756 -7.231 6.274) 9.733 41.122 ( 9.921 -5.528 4.993) 12.407 41.436 ( -0.458 6.525 2.359) 6.953 41.572 ( -4.860 8.801 2.793) 10.434 42.251 ( 1.165 0.098 0.376) 1.228 42.420 ( -2.152 -1.693 -1.711) 3.229 43.412 ( 5.548 -19.181 10.442) 22.532 43.550 ( 7.509 -9.312 -2.154) 12.155 ======================= Grid point 135 (69/84) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 4.131 16.119 19.386) 25.548 2.092 ( 5.715 14.261 15.522) 21.839 2.490 ( 2.789 9.939 -9.524) 14.045 2.561 ( -2.820 11.226 -13.343) 17.664 2.838 ( -6.834 -5.905 3.768) 9.786 2.927 ( 3.747 -7.238 -5.237) 9.688 3.107 ( -0.243 -4.702 8.478) 9.698 3.196 ( 1.047 2.019 0.069) 2.275 3.330 ( -3.258 3.993 4.937) 7.136 3.413 ( -1.084 3.622 -0.074) 3.781 3.490 ( -2.087 3.071 2.381) 4.411 3.607 ( 1.894 -3.884 -7.356) 8.532 3.652 ( -0.294 3.119 5.372) 6.218 3.743 ( -3.642 1.906 -1.568) 4.399 3.814 ( 2.445 8.193 9.751) 12.969 4.001 ( 4.607 -0.698 -1.674) 4.951 4.096 ( -2.512 -0.999 -2.224) 3.501 4.141 ( 3.850 4.440 -3.233) 6.707 4.262 ( 2.555 -4.639 -0.167) 5.299 4.322 ( -1.093 -1.474 -4.527) 4.885 4.535 ( 1.584 3.765 3.577) 5.429 4.613 ( -0.364 8.915 5.236) 10.345 4.679 ( -0.188 2.137 1.470) 2.601 4.897 ( -2.325 10.417 -10.656) 15.082 5.062 ( 4.875 1.942 6.380) 8.261 5.158 ( -6.460 5.224 -0.087) 8.308 5.273 ( 2.735 3.204 -1.293) 4.407 5.371 ( -0.201 7.895 -3.697) 8.721 5.456 ( -0.424 -2.040 2.170) 3.009 5.567 ( -5.931 1.646 -3.839) 7.254 5.610 ( -2.027 1.713 1.955) 3.297 5.720 ( -1.568 -1.535 -5.201) 5.645 5.940 ( 5.165 -5.881 2.217) 8.135 6.042 ( 0.789 -2.781 -3.224) 4.330 6.140 ( 0.749 -0.875 5.536) 5.655 6.247 ( 1.095 -1.551 -2.479) 3.122 6.292 ( 7.043 -4.876 4.140) 9.514 6.387 ( -5.173 -1.333 -3.112) 6.182 6.555 ( 1.919 -13.315 4.826) 14.292 6.660 ( -4.447 -0.259 -3.451) 5.636 6.675 ( 1.448 -1.112 -3.238) 3.717 6.799 ( -4.449 -8.196 -8.153) 12.387 6.948 ( -4.695 -2.863 5.542) 7.808 7.059 ( 2.318 -4.645 -3.915) 6.502 7.264 ( 0.779 -2.313 -0.758) 2.556 7.286 ( -6.296 -5.372 -4.223) 9.292 7.507 ( -1.942 -6.294 2.872) 7.186 7.569 ( 6.228 -7.773 -1.154) 10.027 7.697 ( 6.952 8.831 5.438) 12.485 7.776 ( -1.718 6.656 -0.491) 6.892 8.155 ( 1.172 -2.672 2.153) 3.626 8.172 ( 4.592 -4.556 0.697) 6.506 8.544 ( 1.892 -5.517 4.343) 7.272 8.701 ( -8.856 -9.448 -9.295) 15.940 8.826 ( -1.297 4.024 5.504) 6.940 8.946 ( -1.758 0.997 -4.388) 4.831 9.041 ( 2.207 1.881 4.089) 5.013 9.190 ( 1.317 7.373 -8.575) 11.386 9.333 ( 3.866 -2.055 4.598) 6.349 9.437 ( -1.961 1.440 -4.507) 5.122 9.590 ( -0.524 -2.659 5.078) 5.756 9.698 ( 1.816 -2.788 -3.498) 4.828 9.910 ( 0.295 -0.187 0.716) 0.796 9.961 ( -1.170 -1.087 -3.927) 4.240 10.202 ( 4.876 5.445 9.872) 12.283 10.386 ( -5.008 -1.744 -5.433) 7.592 10.473 ( -5.515 -4.931 3.980) 8.400 10.568 ( 4.880 -5.161 -5.175) 8.788 10.804 ( -0.973 -3.811 5.020) 6.377 10.901 ( -0.131 -7.592 -3.855) 8.516 11.161 ( -1.796 2.486 7.585) 8.182 11.294 ( 2.809 -0.677 6.355) 6.981 11.309 ( 0.594 1.360 -5.459) 5.657 11.430 ( -2.165 -1.865 -5.872) 6.530 11.977 ( 0.554 2.297 0.572) 2.431 12.008 ( 0.197 1.203 -2.636) 2.904 12.177 ( -0.394 3.392 4.563) 5.699 12.290 ( 0.359 4.246 -5.685) 7.105 12.405 ( -4.524 5.012 4.826) 8.300 12.512 ( 4.103 4.918 -5.096) 8.184 12.742 ( 1.251 -0.753 3.020) 3.354 12.805 ( -0.339 -2.492 -2.470) 3.525 13.044 ( -4.631 2.700 1.131) 5.478 13.071 ( 4.978 4.163 -1.579) 6.679 13.278 ( 2.255 -6.758 1.817) 7.352 13.290 ( -0.792 -6.189 0.657) 6.274 13.548 ( 3.593 2.082 2.513) 4.854 13.624 ( -5.239 1.697 -4.131) 6.884 14.026 ( 3.047 0.725 4.260) 5.287 14.101 ( -4.084 -2.884 -2.724) 5.694 14.539 ( 1.430 2.391 0.515) 2.833 14.574 ( -3.626 1.558 -2.910) 4.903 15.015 ( 3.805 2.852 2.286) 5.276 15.068 ( -1.618 -2.729 2.785) 4.222 15.097 ( -3.522 -2.609 -4.429) 6.231 15.125 ( 1.921 1.074 -3.573) 4.196 15.551 ( 1.048 8.883 9.699) 13.194 15.645 ( 3.277 -0.155 2.228) 3.966 15.698 ( -0.937 4.800 -2.817) 5.644 15.754 ( 0.117 0.427 -8.333) 8.345 16.182 ( -0.127 -6.913 2.607) 7.389 16.247 ( -1.688 -11.037 -2.468) 11.435 16.612 ( 5.069 4.086 5.816) 8.730 16.738 ( -5.998 4.915 -5.545) 9.533 17.035 ( 5.424 3.793 6.425) 9.224 17.196 ( -4.144 7.476 -7.252) 11.210 17.395 ( -3.298 -0.579 0.129) 3.351 17.490 ( -6.752 -2.819 -9.054) 11.641 17.636 ( 2.994 -0.074 5.394) 6.170 17.719 ( -2.177 0.841 -0.918) 2.508 18.023 ( 3.338 -3.321 3.319) 5.761 18.132 ( -4.354 -0.649 -2.885) 5.263 18.225 ( 1.094 -4.671 1.389) 4.995 18.314 ( -1.636 -4.527 -5.657) 7.428 18.798 ( 3.742 2.752 4.783) 6.667 18.918 ( -3.731 0.113 -5.897) 6.979 19.122 ( 8.678 4.282 8.151) 12.652 19.213 ( -1.724 3.502 0.868) 3.999 19.304 ( 5.805 5.597 6.611) 10.427 19.463 ( -2.195 -1.180 -4.403) 5.060 19.608 ( 5.112 -1.298 7.797) 9.413 19.773 ( 2.975 -0.919 -2.391) 3.926 19.872 ( 0.817 -0.337 0.913) 1.270 19.905 ( -0.908 -0.439 -0.318) 1.058 19.986 ( -1.808 -2.635 6.288) 7.053 20.135 ( 0.442 -2.835 -6.023) 6.671 20.299 ( 2.184 -1.619 5.788) 6.395 20.471 ( -4.653 -4.590 -8.086) 10.397 21.003 ( 10.525 14.614 14.975) 23.422 21.316 ( -10.497 11.201 -12.215) 19.617 21.609 ( 12.033 -2.461 12.506) 17.529 21.868 ( -7.622 -2.748 -8.863) 12.008 22.009 ( 2.303 -0.964 3.721) 4.481 22.053 ( 0.663 -2.579 2.667) 3.769 22.093 ( -1.552 -2.020 -0.434) 2.584 22.197 ( -6.837 -2.756 -7.352) 10.411 22.373 ( 0.981 0.719 -0.070) 1.218 22.400 ( -1.748 1.536 -1.370) 2.700 22.652 ( -1.959 -2.063 -0.910) 2.986 22.780 ( -11.330 -7.266 -11.703) 17.836 24.325 ( 16.778 13.338 18.578) 28.365 24.679 ( -9.875 10.997 -13.609) 20.091 25.336 ( 8.566 -6.343 11.986) 16.040 25.439 ( -1.410 -1.252 -1.565) 2.451 25.500 ( 4.615 -6.431 6.778) 10.421 25.701 ( -7.327 -5.674 -4.731) 10.405 25.835 ( -1.389 0.480 0.475) 1.544 25.884 ( 2.251 -9.845 -6.844) 12.199 26.606 ( 4.669 5.002 5.440) 8.742 26.769 ( -7.845 7.504 -8.772) 13.957 26.900 ( 1.297 0.600 6.751) 6.901 27.003 ( 7.972 -3.585 3.575) 9.444 27.025 ( -2.414 -4.027 -3.867) 6.082 27.091 ( -5.227 -1.586 -4.820) 7.285 27.474 ( -1.444 1.300 0.903) 2.143 27.541 ( -2.689 0.676 -5.132) 5.833 27.931 ( 2.863 0.258 3.561) 4.577 28.045 ( -1.395 -1.341 -6.856) 7.124 28.293 ( -0.005 -2.240 2.262) 3.183 28.349 ( 0.216 1.201 -1.907) 2.265 28.625 ( 11.609 0.439 13.385) 17.724 28.822 ( 0.989 0.850 -0.619) 1.444 28.854 ( 0.622 2.960 1.567) 3.406 28.955 ( -4.035 0.639 -8.191) 9.153 29.063 ( 18.638 -7.485 14.042) 24.507 29.164 ( 1.809 -1.117 0.051) 2.127 29.239 ( -12.806 -0.931 -9.062) 15.715 29.386 ( -12.416 -2.520 -12.294) 17.654 29.707 ( 2.663 2.133 -1.092) 3.583 29.731 ( -1.831 2.806 -2.021) 3.913 29.824 ( -3.673 -2.365 2.403) 4.986 29.921 ( 0.130 -3.274 -7.779) 8.441 31.155 ( 9.222 2.284 3.671) 10.185 31.220 ( -1.442 -0.039 -1.307) 1.947 31.450 ( 3.058 2.115 4.910) 6.159 31.533 ( -6.343 -1.393 -0.942) 6.562 31.952 ( 1.561 7.111 3.842) 8.232 31.998 ( 0.654 4.909 -0.096) 4.953 32.245 ( -0.661 -0.332 4.232) 4.296 32.308 ( 1.106 -2.293 0.418) 2.580 32.562 ( -0.214 1.513 3.483) 3.804 32.677 ( -2.451 -1.161 -2.561) 3.730 32.776 ( 5.071 -2.151 1.014) 5.601 32.806 ( -3.503 -0.166 -5.699) 6.691 33.015 ( 0.380 -5.207 4.117) 6.649 33.132 ( -1.433 -5.654 -7.388) 9.413 34.191 ( 6.220 5.961 10.078) 13.259 34.323 ( -10.680 1.527 -1.427) 10.882 38.241 ( -0.075 0.414 0.445) 0.612 38.301 ( -0.166 -2.503 -4.675) 5.305 38.666 ( -0.079 -3.907 3.295) 5.112 38.787 ( 0.457 -6.119 -8.317) 10.335 39.632 ( 3.232 10.564 1.290) 11.122 39.679 ( -3.421 8.637 -2.928) 9.740 40.011 ( 4.554 5.858 4.194) 8.523 40.049 ( -7.541 7.603 0.658) 10.729 41.002 ( -1.026 -4.242 5.614) 7.110 41.107 ( 3.430 -6.498 -3.288) 8.050 41.605 ( -1.238 6.796 4.198) 8.083 41.707 ( 5.833 4.905 -4.716) 8.962 42.293 ( 1.954 0.096 1.698) 2.591 42.338 ( -1.094 -1.055 -2.183) 2.660 43.194 ( -4.024 -14.973 9.571) 18.220 43.332 ( 1.253 -14.897 -4.143) 15.513 ======================= Grid point 136 (70/84) ======================= q-point: ( 0.12 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -14.297 14.808 -13.558) 24.647 2.243 ( 5.189 9.053 -10.874) 15.071 2.382 ( -3.162 14.730 -0.629) 15.079 2.514 ( 4.321 12.271 9.746) 16.255 2.798 ( -6.407 -8.029 5.332) 11.573 2.967 ( 6.499 -5.414 -1.467) 8.585 3.156 ( -1.603 1.169 -1.078) 2.257 3.178 ( -2.538 0.363 -3.060) 3.992 3.283 ( -11.344 5.051 -1.105) 12.467 3.347 ( -5.317 -1.860 10.321) 11.758 3.439 ( -11.041 1.867 1.350) 11.279 3.520 ( -2.181 -2.494 -2.178) 3.965 3.675 ( -0.801 2.303 0.428) 2.476 3.712 ( -4.800 -0.252 3.057) 5.696 3.878 ( -1.054 3.040 -0.919) 3.347 3.969 ( 3.119 0.632 -6.765) 7.476 4.068 ( -3.251 0.177 -0.006) 3.256 4.140 ( 3.426 2.309 -1.053) 4.263 4.219 ( -3.858 -2.046 -2.764) 5.168 4.300 ( -2.003 -2.343 0.956) 3.227 4.518 ( -3.233 -2.611 -4.952) 6.465 4.604 ( -1.738 7.425 3.877) 8.555 4.815 ( 7.903 12.884 -8.439) 17.311 4.866 ( 5.567 6.061 8.594) 11.899 5.030 ( -2.385 1.899 0.037) 3.049 5.248 ( 5.112 7.296 1.197) 8.989 5.288 ( 2.070 3.367 -3.891) 5.546 5.340 ( 1.061 4.065 1.226) 4.376 5.470 ( 0.585 2.014 1.050) 2.345 5.592 ( 1.400 0.713 7.790) 7.947 5.671 ( 3.944 0.391 0.910) 4.066 5.682 ( 3.498 -0.673 5.651) 6.680 5.978 ( 2.076 -4.635 -10.685) 11.831 6.030 ( 2.965 -6.652 1.394) 7.415 6.101 ( -6.964 -5.323 -2.104) 9.015 6.169 ( -5.921 1.272 -1.401) 6.217 6.312 ( 3.257 -1.999 0.021) 3.822 6.433 ( 0.735 2.308 1.458) 2.827 6.565 ( -2.450 -9.728 -4.832) 11.135 6.617 ( -3.908 1.250 0.280) 4.113 6.686 ( 2.446 -12.069 4.734) 13.192 6.765 ( 1.147 -3.325 5.708) 6.705 6.953 ( -3.461 -6.872 6.146) 9.848 7.022 ( -0.136 0.704 -1.976) 2.102 7.233 ( -0.119 -2.301 3.302) 4.026 7.317 ( 3.574 -4.713 4.953) 7.715 7.479 ( -5.905 -4.069 -2.948) 7.753 7.591 ( 2.583 -10.929 -4.716) 12.180 7.688 ( -0.158 6.722 -5.105) 8.442 7.819 ( 1.225 9.985 -2.990) 10.494 8.080 ( -5.979 -5.415 -2.043) 8.322 8.223 ( 3.062 -2.293 -4.123) 5.624 8.541 ( -0.056 -4.974 1.011) 5.076 8.738 ( 6.638 -9.813 7.188) 13.857 8.820 ( -3.301 4.080 3.884) 6.529 8.921 ( -7.153 8.237 -5.110) 12.047 8.974 ( 1.364 -3.586 3.876) 5.453 9.260 ( 4.458 3.016 -2.429) 5.905 9.338 ( 1.384 -0.702 -4.961) 5.198 9.427 ( 2.754 -1.060 4.509) 5.389 9.655 ( 1.655 -1.606 0.964) 2.500 9.671 ( 1.793 -2.446 -3.260) 4.453 9.860 ( -4.165 -1.417 1.324) 4.594 9.987 ( 3.529 1.391 0.542) 3.831 10.199 ( -5.692 5.396 -7.350) 10.749 10.393 ( 3.224 1.892 6.171) 7.215 10.472 ( -2.898 -5.510 4.077) 7.442 10.611 ( 8.321 -5.012 -2.678) 10.076 10.860 ( 0.763 -5.114 0.684) 5.215 10.884 ( 3.720 -4.697 0.413) 6.005 11.228 ( -1.612 3.036 4.377) 5.565 11.240 ( -0.320 1.382 -4.273) 4.502 11.297 ( -3.192 -0.640 -2.825) 4.311 11.428 ( 3.201 -2.529 2.933) 5.025 11.892 ( -8.016 3.058 -0.361) 8.587 12.023 ( 0.753 -0.053 -0.368) 0.840 12.168 ( -2.774 4.077 -0.262) 4.938 12.295 ( 1.256 3.366 2.173) 4.199 12.414 ( -0.716 4.480 3.111) 5.502 12.501 ( 2.087 3.900 -4.033) 5.985 12.750 ( -1.524 -0.260 -3.119) 3.482 12.786 ( 0.112 -3.437 1.803) 3.883 12.977 ( -5.799 6.049 1.331) 8.485 13.103 ( 0.678 0.004 -2.042) 2.152 13.179 ( -6.008 -3.199 -0.260) 6.811 13.355 ( 0.274 -5.631 -1.054) 5.736 13.548 ( 2.354 1.739 -2.723) 3.998 13.681 ( 6.938 -0.169 4.435) 8.236 14.009 ( -3.162 -0.283 -2.163) 3.842 14.136 ( 4.364 -3.156 3.203) 6.266 14.523 ( -0.647 3.036 0.308) 3.120 14.607 ( 4.277 1.192 3.246) 5.501 14.972 ( -4.603 1.151 -3.305) 5.782 15.058 ( -2.956 1.194 2.661) 4.153 15.100 ( 1.182 1.564 1.047) 2.222 15.146 ( 4.438 -5.595 -0.983) 7.209 15.560 ( -6.022 7.089 -2.952) 9.758 15.639 ( -2.305 -1.943 -4.830) 5.694 15.695 ( 0.083 2.895 1.333) 3.188 15.718 ( 3.565 7.707 2.173) 8.765 16.211 ( 1.796 -7.675 -0.900) 7.933 16.247 ( 1.600 -10.877 2.652) 11.309 16.598 ( -2.801 2.894 -4.134) 5.771 16.777 ( 5.335 2.378 4.910) 7.630 17.023 ( -3.473 6.069 -6.006) 9.218 17.193 ( 4.258 8.109 7.109) 11.594 17.438 ( 2.093 0.170 0.038) 2.100 17.515 ( 8.908 -1.291 10.841) 14.091 17.628 ( -2.922 0.007 -2.981) 4.174 17.758 ( 5.462 -1.763 2.968) 6.462 18.009 ( -1.774 -4.295 -1.938) 5.035 18.165 ( -1.743 1.675 -2.724) 3.642 18.191 ( 2.637 -8.649 5.965) 10.832 18.333 ( 3.744 -3.833 1.590) 5.590 18.793 ( -3.040 3.631 -5.108) 6.965 18.921 ( 2.680 -0.104 4.038) 4.848 19.064 ( -9.640 3.762 -9.133) 13.802 19.233 ( -3.225 3.306 -5.948) 7.531 19.283 ( -1.712 7.407 -1.138) 7.687 19.463 ( 0.943 -3.112 2.088) 3.864 19.586 ( -7.926 -2.835 -8.439) 11.920 19.697 ( -8.511 -0.742 -4.552) 9.680 19.871 ( 0.831 1.376 1.899) 2.488 19.895 ( -3.273 -1.668 -2.031) 4.198 19.992 ( -0.117 -1.577 3.330) 3.686 20.154 ( 5.091 -4.115 0.401) 6.558 20.317 ( -0.572 1.162 -2.765) 3.053 20.475 ( 4.441 -4.735 6.197) 8.975 20.977 ( -9.971 13.532 -12.641) 21.031 21.353 ( 9.027 10.022 11.458) 17.697 21.534 ( -12.934 -2.432 -11.579) 17.529 21.893 ( 4.830 -2.988 5.584) 7.965 22.010 ( -1.483 -0.758 -2.510) 3.012 22.055 ( -0.055 -1.545 0.603) 1.660 22.117 ( 1.365 -2.247 -0.574) 2.691 22.242 ( 7.408 0.465 6.724) 10.015 22.369 ( 3.708 -3.801 3.914) 6.597 22.419 ( 1.811 1.492 0.460) 2.391 22.695 ( 6.896 -0.830 4.266) 8.152 22.872 ( 17.044 -6.257 15.024) 23.567 24.251 ( -17.174 13.963 -20.508) 30.174 24.703 ( 7.457 8.663 9.328) 14.754 25.294 ( -11.909 -4.368 -11.976) 17.445 25.434 ( -0.320 -1.958 1.353) 2.402 25.478 ( -4.716 -3.255 -4.086) 7.038 25.734 ( 5.071 -10.839 8.803) 14.855 25.805 ( -2.727 -1.767 0.382) 3.272 25.895 ( 4.907 -3.974 -1.200) 6.427 26.584 ( -4.426 1.979 -5.066) 7.012 26.766 ( -0.090 4.186 6.457) 7.696 26.893 ( 0.259 2.154 1.031) 2.402 26.934 ( -5.463 -0.061 -2.288) 5.924 27.070 ( 4.792 -1.913 -0.061) 5.160 27.162 ( 7.427 -1.390 1.711) 7.748 27.488 ( -0.054 1.753 1.045) 2.041 27.548 ( 4.947 -0.090 4.841) 6.923 27.926 ( -2.890 0.482 -4.872) 5.685 28.015 ( 1.214 -1.438 3.755) 4.200 28.298 ( -1.997 -2.127 -1.125) 3.127 28.337 ( 0.432 0.179 0.264) 0.537 28.548 ( -14.192 0.398 -12.879) 19.169 28.766 ( -10.005 -5.395 -5.695) 12.714 28.818 ( -2.254 4.513 2.298) 5.543 28.937 ( -7.829 -1.791 -6.081) 10.073 29.001 ( 4.796 1.773 0.798) 5.175 29.144 ( -0.384 -0.977 1.290) 1.663 29.327 ( 11.423 0.955 10.198) 15.343 29.514 ( 11.825 -1.787 3.983) 12.605 29.621 ( -5.245 3.649 -0.307) 6.397 29.771 ( 1.163 0.237 1.638) 2.023 29.890 ( 6.819 -5.705 6.371) 10.938 29.927 ( 7.242 -4.893 -1.136) 8.813 31.062 ( -8.282 3.948 -5.132) 10.512 31.208 ( -5.137 -1.746 -5.144) 7.477 31.504 ( 7.745 2.352 1.806) 8.293 31.623 ( 7.811 -0.096 1.917) 8.044 31.963 ( -1.226 7.708 -2.525) 8.203 31.982 ( -1.737 3.856 -0.820) 4.308 32.258 ( -2.126 -1.123 -0.492) 2.454 32.300 ( -0.407 -2.602 -0.938) 2.795 32.594 ( -0.572 2.269 -3.920) 4.565 32.645 ( -0.055 1.322 5.809) 5.957 32.716 ( -3.269 -1.449 -0.270) 3.585 32.862 ( 5.514 -2.936 0.281) 6.253 33.049 ( 0.111 -6.318 -4.511) 7.764 33.095 ( 1.613 -5.586 6.437) 8.675 34.131 ( -8.753 10.290 -2.989) 13.836 34.438 ( 9.308 -2.692 6.859) 11.871 38.231 ( -1.901 -0.290 -0.082) 1.925 38.283 ( 1.211 -2.322 1.155) 2.862 38.693 ( -1.458 -3.795 -1.250) 4.253 38.727 ( 0.558 -5.620 1.636) 5.880 39.576 ( -5.412 9.028 -1.432) 10.623 39.713 ( 3.508 8.809 1.827) 9.656 39.907 ( -8.908 8.801 0.146) 12.524 40.165 ( 6.609 5.687 2.498) 9.070 40.997 ( -5.489 -4.736 0.560) 7.271 41.075 ( 0.013 -6.335 -4.054) 7.521 41.611 ( -0.568 8.039 -0.247) 8.062 41.762 ( 9.224 3.151 -5.090) 10.996 42.296 ( 0.078 0.473 -2.696) 2.738 42.355 ( 3.255 -0.939 1.433) 3.678 43.207 ( -8.171 -13.490 6.449) 17.039 43.265 ( -3.088 -14.582 -3.593) 15.332 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.25 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -12.777 30.462 -11.845) 35.092 2.120 ( 10.451 15.979 -17.265) 25.741 2.378 ( -4.491 5.986 2.893) 8.023 2.670 ( -1.261 -0.937 4.430) 4.700 2.787 ( -5.198 -3.985 8.221) 10.511 2.937 ( -9.440 0.054 -1.420) 9.547 3.060 ( -13.150 3.326 1.658) 13.665 3.100 ( -2.466 0.723 -3.321) 4.199 3.180 ( -0.114 -3.136 -2.231) 3.850 3.293 ( -8.088 -4.047 1.935) 9.249 3.338 ( -4.099 4.779 0.836) 6.351 3.467 ( 0.456 -1.130 -3.438) 3.648 3.611 ( -7.190 -5.018 -2.330) 9.073 3.740 ( 1.476 1.320 5.269) 5.629 3.832 ( -7.895 -1.420 -2.218) 8.323 3.912 ( 7.673 8.826 -5.721) 13.020 4.050 ( -2.887 -2.259 2.337) 4.347 4.082 ( -3.085 -0.636 -3.532) 4.732 4.238 ( 2.582 0.754 3.306) 4.262 4.274 ( -2.342 -4.009 2.953) 5.502 4.470 ( 1.057 -4.836 -2.819) 5.697 4.598 ( -2.624 2.060 0.156) 3.339 4.838 ( 9.560 13.001 -7.906) 17.970 4.988 ( -2.182 5.680 3.975) 7.268 5.024 ( 0.555 -2.838 -1.884) 3.452 5.254 ( 3.445 0.617 -2.971) 4.591 5.306 ( -3.144 3.521 0.887) 4.803 5.342 ( 5.371 6.360 0.721) 8.355 5.491 ( -0.225 4.930 2.230) 5.416 5.685 ( 4.179 -1.945 1.673) 4.904 5.778 ( -0.141 6.311 4.868) 7.972 5.859 ( 5.335 -2.945 -11.103) 12.666 5.906 ( 2.284 -1.823 7.125) 7.701 6.004 ( -0.940 -0.883 2.823) 3.104 6.087 ( 0.863 -2.580 1.526) 3.119 6.108 ( 1.801 -7.634 -2.568) 8.254 6.368 ( 1.332 4.255 -0.484) 4.485 6.435 ( -0.254 -0.092 0.318) 0.417 6.481 ( -2.894 -4.495 -1.018) 5.443 6.564 ( -5.332 1.386 0.526) 5.534 6.644 ( -9.681 -8.879 4.180) 13.785 6.828 ( -4.221 -4.886 3.163) 7.190 6.998 ( 0.343 -3.227 0.004) 3.245 7.037 ( -0.632 -2.425 1.228) 2.791 7.263 ( -2.815 -10.483 -3.918) 11.539 7.334 ( 2.041 -0.088 -0.829) 2.205 7.455 ( 3.062 -3.545 4.651) 6.601 7.578 ( -0.605 -6.860 2.885) 7.467 7.677 ( 2.791 11.055 -6.443) 13.097 7.693 ( -1.217 -2.544 -2.156) 3.549 8.000 ( -4.190 -6.779 -0.529) 7.987 8.225 ( 3.204 0.044 -1.608) 3.585 8.647 ( 2.618 0.911 -2.292) 3.596 8.712 ( 0.637 3.675 -0.303) 3.742 8.796 ( -0.964 -7.475 2.581) 7.966 8.979 ( 0.769 7.523 5.575) 9.395 9.072 ( 0.175 -4.964 5.378) 7.321 9.180 ( 0.355 -3.931 2.209) 4.523 9.397 ( 5.722 3.107 -3.388) 7.340 9.519 ( 3.027 -2.324 1.636) 4.152 9.641 ( -0.656 0.971 -0.954) 1.511 9.681 ( 4.669 -3.591 -1.961) 6.208 9.860 ( -3.808 -1.466 4.787) 6.290 9.949 ( -1.088 -0.255 -4.986) 5.109 10.202 ( 5.238 12.974 4.742) 14.773 10.410 ( -3.370 -0.253 -0.255) 3.389 10.480 ( -2.557 -3.241 2.100) 4.632 10.700 ( 4.932 -3.579 -1.519) 6.280 10.879 ( 2.651 -1.852 0.065) 3.235 10.936 ( 4.584 -3.149 -3.979) 6.838 11.140 ( -0.961 4.750 -6.667) 8.242 11.253 ( 2.049 1.482 0.715) 2.628 11.283 ( -3.275 1.473 1.627) 3.942 11.471 ( -1.522 -4.903 1.225) 5.278 11.779 ( -7.417 1.173 1.533) 7.664 12.009 ( -1.954 -2.378 0.019) 3.078 12.164 ( 2.725 1.504 1.125) 3.309 12.321 ( -2.526 6.353 2.793) 7.385 12.445 ( -0.149 1.775 1.357) 2.240 12.476 ( -0.652 -0.967 -0.728) 1.374 12.708 ( 0.256 -0.189 -1.442) 1.477 12.790 ( 0.154 -3.297 -0.331) 3.317 12.935 ( -3.372 8.642 2.083) 9.507 13.006 ( -6.826 -4.251 -1.433) 8.168 13.167 ( 0.840 1.863 0.767) 2.183 13.321 ( -2.302 -2.004 -0.009) 3.052 13.576 ( 5.727 0.696 -2.739) 6.386 13.811 ( 3.465 -1.102 2.250) 4.276 13.955 ( -0.683 2.133 -1.990) 2.996 14.214 ( 1.890 -7.074 0.505) 7.340 14.548 ( 2.290 4.534 1.132) 5.204 14.715 ( 2.956 0.853 1.984) 3.661 14.888 ( -2.125 2.509 -0.029) 3.288 15.033 ( -3.004 -1.814 0.474) 3.541 15.127 ( 2.515 1.060 -1.833) 3.288 15.180 ( -2.756 3.209 4.806) 6.402 15.467 ( 0.549 6.752 -2.275) 7.146 15.534 ( -2.767 -7.136 -5.147) 9.224 15.677 ( -1.628 1.440 0.279) 2.191 15.816 ( 1.808 10.696 6.214) 12.501 16.258 ( 1.800 -9.759 0.570) 9.940 16.283 ( 2.021 -7.764 1.125) 8.101 16.594 ( 3.997 -1.417 1.364) 4.455 16.746 ( -5.563 -4.840 -6.650) 9.929 17.038 ( 6.030 10.877 2.252) 12.639 17.301 ( -1.680 3.121 -3.187) 4.767 17.455 ( 0.928 5.441 3.022) 6.292 17.611 ( 0.399 1.631 -0.332) 1.712 17.657 ( 4.265 2.484 2.793) 5.671 18.032 ( 1.569 -7.739 1.653) 8.067 18.054 ( 6.953 1.060 5.713) 9.062 18.135 ( 8.257 -3.832 7.198) 11.605 18.301 ( 2.434 -5.964 2.184) 6.802 18.391 ( 1.315 -6.508 3.335) 7.430 18.641 ( -10.182 0.748 -10.424) 14.591 18.714 ( -1.044 5.398 -4.004) 6.802 18.998 ( -8.827 -1.907 -7.341) 11.638 19.103 ( -3.915 0.302 -4.149) 5.713 19.184 ( -1.601 3.966 0.046) 4.277 19.390 ( -6.209 -0.578 -5.239) 8.144 19.398 ( -3.694 0.648 -2.208) 4.352 19.554 ( -1.243 -1.840 -1.410) 2.630 19.818 ( -2.207 0.123 -1.124) 2.480 19.922 ( 0.784 1.423 2.743) 3.188 20.050 ( 2.593 -1.781 -0.014) 3.145 20.213 ( 1.851 0.028 0.192) 1.862 20.381 ( 3.880 -0.374 4.368) 5.854 20.550 ( -1.457 -1.632 1.741) 2.796 20.760 ( -3.185 9.694 -6.153) 11.915 21.253 ( -6.076 -4.907 -5.188) 9.376 21.546 ( 1.226 8.004 3.239) 8.721 21.926 ( 0.752 -1.891 -0.292) 2.056 21.972 ( -0.817 -3.425 -2.111) 4.105 22.096 ( 2.578 0.101 0.715) 2.678 22.133 ( 0.600 0.641 0.130) 0.887 22.304 ( 0.949 3.846 1.251) 4.154 22.415 ( 1.922 -2.354 -1.031) 3.209 22.556 ( 5.970 -7.292 -0.274) 9.428 23.001 ( 10.670 4.170 10.492) 15.534 23.395 ( 18.535 -8.838 13.976) 24.839 23.785 ( -9.203 15.812 -11.498) 21.608 24.540 ( -17.134 -6.557 -13.657) 22.871 25.140 ( 0.516 11.824 1.016) 11.879 25.415 ( -1.345 -0.618 -0.606) 1.600 25.442 ( -1.294 -1.167 0.689) 1.874 25.739 ( -2.733 2.065 -2.049) 3.991 25.860 ( 1.598 -9.063 4.738) 10.351 25.982 ( 4.533 -9.085 2.540) 10.466 26.506 ( -1.529 -1.803 -1.015) 2.573 26.698 ( -5.249 -5.775 -1.654) 7.978 26.909 ( 0.483 3.208 4.313) 5.397 27.031 ( 2.000 9.185 4.637) 10.481 27.090 ( 1.219 -4.639 -1.637) 5.068 27.252 ( 3.996 3.861 0.250) 5.562 27.493 ( -2.460 3.192 0.974) 4.146 27.670 ( 2.565 0.654 1.080) 2.859 27.888 ( 3.354 -0.086 -0.634) 3.414 28.042 ( 0.641 -3.787 0.442) 3.867 28.209 ( -2.424 0.402 -1.155) 2.715 28.313 ( -0.567 -1.899 0.007) 1.982 28.400 ( -3.061 0.052 -0.963) 3.209 28.474 ( -9.027 -7.121 -2.697) 11.809 28.824 ( -0.936 5.498 2.734) 6.211 28.896 ( -1.043 -0.064 0.124) 1.052 29.028 ( 1.110 0.856 -1.003) 1.724 29.182 ( 0.987 -0.033 -0.004) 0.988 29.489 ( -1.855 1.852 -1.250) 2.904 29.568 ( 5.030 1.553 2.292) 5.742 29.658 ( 0.140 2.717 3.363) 4.326 29.817 ( 1.736 -0.456 0.621) 1.900 29.963 ( 2.176 0.176 2.593) 3.390 30.202 ( 7.267 -8.732 12.387) 16.808 30.875 ( -5.139 4.899 -5.630) 9.061 31.100 ( 1.268 -1.627 -2.728) 3.420 31.629 ( 5.965 0.664 -5.198) 7.940 31.720 ( 8.330 -1.593 -0.730) 8.513 31.891 ( -1.025 5.374 -3.994) 6.774 31.950 ( -1.531 2.658 -0.066) 3.068 32.183 ( -5.459 -0.617 -4.101) 6.855 32.273 ( 0.347 -1.441 -0.420) 1.540 32.576 ( 0.488 0.930 -1.534) 1.859 32.629 ( -2.297 0.584 0.162) 2.376 32.734 ( -1.673 -0.117 3.714) 4.075 32.937 ( 4.356 -6.983 -1.316) 8.335 33.022 ( 1.462 -2.536 -0.206) 2.934 33.222 ( 1.728 -4.471 9.886) 10.986 33.975 ( -5.196 14.221 -6.670) 16.544 34.583 ( 3.400 -11.389 -1.126) 11.939 38.226 ( -0.655 2.426 2.989) 3.905 38.325 ( 0.081 -3.716 3.464) 5.081 38.653 ( -0.105 -4.115 -1.835) 4.507 38.783 ( -1.574 -3.028 6.861) 7.663 39.468 ( -5.681 7.889 -3.461) 10.319 39.745 ( -4.029 0.810 -1.479) 4.368 39.823 ( -0.190 14.688 1.580) 14.774 40.241 ( 0.689 3.988 -0.408) 4.068 40.900 ( -3.545 -4.230 -2.947) 6.256 41.022 ( 0.529 -7.008 -4.027) 8.100 41.606 ( 2.043 8.783 -1.510) 9.143 41.836 ( 8.548 2.645 -3.827) 9.732 42.273 ( 1.363 1.790 -2.583) 3.425 42.415 ( 3.171 -1.752 0.228) 3.630 43.128 ( -5.959 -10.810 -0.689) 12.363 43.181 ( -8.314 -11.037 3.184) 14.180 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.38 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 19.422 18.140 14.113) 30.091 2.168 ( 17.376 17.001 -8.184) 25.650 2.317 ( -4.408 6.432 0.949) 7.855 2.601 ( -6.379 -3.837 -0.888) 7.497 2.711 ( -20.577 -3.684 2.346) 21.035 2.805 ( -4.805 4.234 2.455) 6.859 2.907 ( -6.425 -4.670 -1.150) 8.026 3.023 ( 0.985 3.529 -3.132) 4.820 3.167 ( 1.374 -3.551 -2.708) 4.672 3.238 ( -1.964 -9.143 0.493) 9.365 3.361 ( -4.687 6.324 5.131) 9.396 3.427 ( 0.199 -2.557 -2.609) 3.658 3.483 ( -4.570 -5.084 -2.582) 7.307 3.627 ( -10.733 2.433 -4.668) 11.955 3.813 ( 1.066 -1.724 1.467) 2.502 3.999 ( 4.936 18.215 2.910) 19.095 4.014 ( -0.329 -7.479 -0.807) 7.530 4.088 ( 0.013 -3.058 3.135) 4.380 4.262 ( -0.752 1.503 -1.493) 2.248 4.312 ( -0.671 -6.883 2.984) 7.532 4.437 ( 0.335 -3.329 -3.163) 4.604 4.546 ( 0.471 0.085 -3.131) 3.167 4.843 ( -5.859 -4.008 -3.127) 7.757 4.880 ( 2.409 13.957 -8.880) 16.717 5.067 ( 4.028 2.348 2.093) 5.111 5.274 ( -0.993 0.808 0.795) 1.507 5.315 ( 5.118 0.520 -0.948) 5.231 5.466 ( 4.871 9.730 3.228) 11.350 5.518 ( -0.326 -1.513 2.915) 3.300 5.704 ( -0.711 -4.141 -7.825) 8.882 5.721 ( 1.155 2.704 -2.168) 3.653 5.852 ( -5.473 5.066 1.134) 7.543 5.963 ( -4.010 -2.805 -4.837) 6.881 5.980 ( 3.882 -2.929 7.147) 8.645 6.110 ( 1.156 -2.754 1.716) 3.444 6.215 ( 6.847 -5.020 1.900) 8.700 6.351 ( -3.486 -0.273 -3.966) 5.288 6.385 ( -2.300 2.119 -0.580) 3.181 6.433 ( -0.070 0.815 1.679) 1.868 6.510 ( -2.040 -9.008 1.517) 9.360 6.659 ( -3.400 -6.212 4.787) 8.547 6.751 ( -3.294 -5.916 -0.292) 6.777 6.898 ( -5.844 -2.322 -5.387) 8.280 6.973 ( -5.611 -2.590 -2.056) 6.513 7.267 ( -2.525 -2.816 -3.013) 4.836 7.309 ( -2.551 -1.279 -7.821) 8.325 7.419 ( -1.729 1.397 -0.468) 2.272 7.574 ( 2.444 -3.085 4.466) 5.953 7.734 ( 6.605 6.252 -1.357) 9.195 7.818 ( 7.298 1.364 9.118) 11.759 7.994 ( 0.421 -8.355 4.684) 9.587 8.284 ( 5.048 -1.024 1.515) 5.369 8.586 ( 1.817 9.675 -3.216) 10.356 8.730 ( -2.843 -4.370 -2.035) 5.596 8.856 ( 1.629 -2.202 0.461) 2.777 8.968 ( -2.968 3.265 -0.266) 4.420 9.116 ( -2.460 4.162 7.212) 8.683 9.330 ( 2.976 -7.003 4.049) 8.619 9.422 ( 4.823 -1.872 1.794) 5.475 9.578 ( 3.588 -1.962 2.120) 4.606 9.643 ( -0.186 2.985 1.817) 3.499 9.765 ( 4.642 -1.610 0.181) 4.917 9.858 ( -0.768 -2.164 5.340) 5.813 9.937 ( 3.303 1.665 -0.592) 3.746 10.241 ( -3.662 4.216 -4.072) 6.911 10.385 ( -3.144 5.985 -3.145) 7.457 10.452 ( -1.560 -0.054 5.403) 5.624 10.675 ( -0.219 -0.575 -5.231) 5.267 10.911 ( 0.941 -2.180 0.655) 2.463 10.989 ( 8.125 3.310 -1.162) 8.850 11.078 ( 1.722 4.722 -3.872) 6.345 11.204 ( -4.708 3.948 -2.588) 6.668 11.269 ( -1.205 -1.296 -2.386) 2.971 11.404 ( -5.210 -2.388 -2.807) 6.382 11.752 ( -1.705 -2.859 4.917) 5.938 11.977 ( -2.393 -4.921 -0.679) 5.514 12.254 ( 2.798 -0.300 2.327) 3.652 12.319 ( 2.521 2.149 1.813) 3.776 12.423 ( -4.557 -2.841 0.713) 5.417 12.474 ( -1.765 -3.679 2.011) 4.549 12.726 ( 3.512 0.525 -0.143) 3.554 12.810 ( 2.654 0.409 -0.361) 2.709 12.882 ( -3.762 2.468 0.076) 4.500 12.948 ( -3.647 3.582 2.109) 5.529 13.197 ( 0.403 1.934 2.702) 3.347 13.303 ( -0.865 1.102 0.690) 1.562 13.648 ( 6.703 0.297 -0.378) 6.720 13.829 ( -1.253 -0.137 -0.817) 1.502 13.925 ( -0.246 2.385 -2.090) 3.181 14.182 ( -2.268 -5.539 -4.855) 7.707 14.578 ( -0.401 2.791 -0.488) 2.861 14.680 ( -2.404 1.127 -2.999) 4.005 14.950 ( 2.463 0.702 4.459) 5.142 14.996 ( -1.466 0.981 0.076) 1.765 15.078 ( -0.874 4.057 -2.665) 4.932 15.308 ( 2.599 1.163 11.528) 11.874 15.376 ( -3.165 -3.675 -5.826) 7.581 15.566 ( 6.355 -0.708 2.308) 6.798 15.724 ( 3.862 0.843 5.700) 6.937 15.900 ( -0.809 10.154 4.791) 11.256 16.258 ( -1.977 -7.041 -2.996) 7.903 16.286 ( -0.815 -5.285 -2.276) 5.812 16.590 ( -1.196 -3.666 -3.869) 5.463 16.722 ( 4.644 -5.369 3.318) 7.836 17.099 ( 0.094 9.594 -2.526) 9.921 17.206 ( -0.869 3.082 -2.484) 4.053 17.486 ( -1.492 7.145 -0.154) 7.301 17.581 ( -6.624 -2.797 -7.895) 10.679 17.619 ( 0.604 -1.512 -1.076) 1.952 17.926 ( -6.184 1.209 -9.092) 11.062 18.081 ( 2.705 -1.554 2.726) 4.143 18.126 ( -12.557 -6.688 -12.483) 18.927 18.290 ( -1.523 -3.328 -2.057) 4.198 18.427 ( -2.829 -8.417 0.498) 8.894 18.800 ( 10.329 3.465 11.010) 15.489 18.854 ( 5.591 5.742 5.394) 9.660 18.899 ( 13.597 -2.744 13.891) 19.631 19.108 ( 2.308 -0.115 2.721) 3.570 19.192 ( -1.838 2.978 -0.904) 3.614 19.294 ( 4.425 -0.772 6.019) 7.510 19.373 ( 0.901 -0.526 -0.622) 1.214 19.524 ( -0.605 -3.253 -0.871) 3.421 19.810 ( 0.840 0.695 1.014) 1.488 19.946 ( -0.813 -0.905 -0.365) 1.271 20.071 ( -0.446 1.121 1.444) 1.882 20.216 ( 0.958 3.944 -3.203) 5.170 20.384 ( -4.583 2.073 -3.670) 6.227 20.545 ( -1.323 -4.310 1.977) 4.923 20.736 ( 4.471 6.873 0.711) 8.230 21.233 ( 4.620 -3.961 4.458) 7.543 21.499 ( -6.571 8.325 -5.379) 11.892 21.944 ( 0.457 -1.783 -1.127) 2.158 21.953 ( 1.681 -3.593 0.920) 4.072 22.100 ( -3.006 -1.600 -2.321) 4.121 22.114 ( -0.346 2.154 -2.721) 3.487 22.334 ( 0.603 2.818 0.751) 2.978 22.433 ( 0.800 -3.536 -2.545) 4.429 22.509 ( -3.566 -3.331 -7.845) 9.239 22.907 ( -8.865 1.987 -10.864) 14.162 23.309 ( -17.931 -8.773 -22.621) 30.170 23.978 ( 17.791 15.148 18.129) 29.574 24.571 ( 15.983 -7.347 18.492) 25.523 25.086 ( -5.745 13.037 -4.945) 15.081 25.395 ( -0.555 -0.546 -0.317) 0.841 25.429 ( -1.287 -0.487 0.168) 1.386 25.650 ( -5.462 -3.014 -4.382) 7.623 25.975 ( 4.910 -7.678 6.544) 11.219 26.067 ( 2.216 -7.122 3.493) 8.236 26.483 ( -1.077 0.443 -1.192) 1.666 26.657 ( -1.435 -5.298 1.951) 5.826 26.961 ( -2.372 0.218 4.102) 4.744 27.009 ( -3.224 5.220 -3.751) 7.191 27.118 ( 5.207 -2.294 1.536) 5.894 27.289 ( 1.518 -0.818 -1.339) 2.183 27.449 ( -2.854 3.559 -0.658) 4.609 27.651 ( -2.798 -0.511 -4.689) 5.484 27.954 ( 5.941 2.356 3.995) 7.537 28.100 ( -0.527 2.315 1.925) 3.056 28.223 ( 2.115 -3.597 2.705) 4.973 28.334 ( 2.093 0.477 3.998) 4.538 28.415 ( -3.781 3.957 0.555) 5.502 28.467 ( 8.058 -8.233 10.274) 15.436 28.831 ( -1.831 5.564 1.151) 5.970 28.895 ( -0.772 -1.672 1.049) 2.119 29.020 ( -0.235 0.297 -0.861) 0.941 29.128 ( -2.799 1.240 -4.955) 5.824 29.474 ( 1.275 0.492 0.652) 1.514 29.620 ( 1.015 0.893 0.441) 1.422 29.713 ( -0.124 0.739 1.421) 1.606 29.801 ( -1.114 -0.930 -2.129) 2.576 29.930 ( -6.419 4.377 -1.465) 7.907 30.282 ( -6.172 -6.879 0.807) 9.277 30.963 ( 10.571 1.935 10.477) 15.008 31.150 ( 6.367 -1.688 1.695) 6.802 31.602 ( 3.947 2.958 -9.753) 10.929 31.790 ( 3.803 -1.977 -3.923) 5.810 31.833 ( -0.500 2.928 -1.892) 3.522 31.956 ( 0.518 -1.173 0.438) 1.355 32.071 ( -2.318 1.830 -2.175) 3.668 32.252 ( -2.602 -1.944 -2.426) 4.054 32.546 ( 0.240 0.139 -1.151) 1.184 32.641 ( 0.594 0.492 1.381) 1.581 32.718 ( -4.272 -1.134 1.413) 4.640 32.918 ( 1.345 -10.780 -6.144) 12.481 33.121 ( 4.003 3.743 7.465) 9.260 33.388 ( 1.128 -3.170 13.596) 14.006 33.802 ( -4.303 13.991 -9.899) 17.671 34.468 ( -5.503 -13.326 -14.360) 20.349 38.289 ( 0.434 4.183 6.758) 7.960 38.365 ( -0.517 -4.058 3.405) 5.322 38.648 ( 0.932 -2.686 0.152) 2.847 38.840 ( -2.266 3.022 5.914) 7.017 39.336 ( -3.598 3.558 -5.277) 7.312 39.618 ( -4.834 1.161 -6.238) 7.976 39.874 ( 1.480 9.789 2.757) 10.277 40.165 ( -4.227 2.673 -5.839) 7.688 40.871 ( 0.666 -4.276 1.294) 4.516 41.005 ( 3.204 -8.282 -3.495) 9.543 41.640 ( 2.369 10.079 1.848) 10.517 41.899 ( 7.560 2.933 -5.646) 9.881 42.276 ( 1.913 2.176 -0.334) 2.916 42.438 ( 1.293 -1.411 -1.993) 2.763 43.063 ( -3.711 -8.175 1.551) 9.111 43.102 ( -6.851 -8.293 2.595) 11.065 ======================= Grid point 139 (73/84) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 8.033 11.968 10.219) 17.669 2.310 ( 11.376 10.463 -5.582) 16.433 2.388 ( 3.811 14.207 1.922) 14.834 2.459 ( -9.577 -2.939 4.647) 11.043 2.500 ( -2.818 11.962 -1.073) 12.336 2.736 ( -2.001 0.801 -11.130) 11.337 2.913 ( 4.452 -10.127 10.982) 15.588 3.041 ( 2.475 -2.064 -0.360) 3.243 3.140 ( 0.979 -4.245 -3.685) 5.706 3.170 ( -4.823 -7.960 -5.217) 10.670 3.277 ( -11.240 -2.633 7.334) 13.676 3.377 ( 1.357 -7.872 0.577) 8.009 3.477 ( 0.416 0.325 -0.553) 0.764 3.516 ( 1.669 2.613 -3.016) 4.325 3.837 ( 0.294 0.132 3.279) 3.295 3.959 ( -3.440 -0.855 -6.825) 7.691 4.107 ( -1.193 -4.788 4.898) 6.952 4.134 ( 5.982 12.857 2.974) 14.489 4.232 ( -0.092 1.142 -1.613) 1.979 4.277 ( 0.229 -4.782 -3.892) 6.171 4.458 ( 0.646 -2.490 3.055) 3.994 4.535 ( 1.384 -2.727 -3.507) 4.653 4.721 ( -3.822 -3.191 0.330) 4.990 4.800 ( 0.240 4.733 -7.179) 8.602 5.176 ( 6.678 0.780 1.310) 6.850 5.229 ( -5.181 1.025 -2.878) 6.014 5.394 ( 3.640 -1.866 3.219) 5.205 5.470 ( -2.439 0.341 -0.691) 2.558 5.601 ( -0.654 7.914 1.968) 8.181 5.630 ( 0.865 0.229 -2.486) 2.642 5.706 ( 3.296 4.042 -1.647) 5.469 5.724 ( -5.757 2.569 -2.814) 6.904 5.923 ( -3.621 -4.230 5.658) 7.938 6.101 ( 5.125 -4.489 -5.138) 8.533 6.143 ( 0.618 -2.991 5.348) 6.159 6.269 ( -5.421 -2.310 1.132) 6.001 6.274 ( -0.279 -6.126 -3.018) 6.835 6.310 ( 3.212 -7.455 -3.670) 8.909 6.522 ( 3.129 0.529 7.513) 8.156 6.577 ( 3.850 -2.298 2.799) 5.286 6.640 ( -2.077 -1.806 -0.024) 2.753 6.714 ( -1.928 -5.337 -5.351) 7.799 6.801 ( -1.325 -1.591 2.890) 3.556 6.880 ( -1.074 -1.478 -3.494) 3.943 7.055 ( -8.330 2.094 -2.831) 9.044 7.140 ( -0.975 -1.524 -8.385) 8.578 7.552 ( 1.971 1.421 6.173) 6.634 7.640 ( 2.473 1.161 -1.441) 3.089 7.833 ( 4.082 3.772 3.682) 6.667 7.925 ( -0.001 5.641 -3.400) 6.586 8.147 ( 5.938 -0.792 11.505) 12.972 8.343 ( 0.515 -3.876 -4.166) 5.714 8.603 ( 0.827 3.836 0.374) 3.942 8.620 ( -3.762 -0.659 -2.706) 4.681 8.865 ( 0.204 0.081 1.326) 1.344 8.906 ( -3.166 -1.597 -1.737) 3.948 9.179 ( -1.245 4.236 7.498) 8.701 9.319 ( 0.025 -0.276 -4.685) 4.694 9.550 ( 2.988 -3.136 5.462) 6.971 9.646 ( -2.994 -0.205 -1.972) 3.590 9.703 ( 3.497 -1.395 6.652) 7.643 9.767 ( 0.543 1.549 1.409) 2.163 9.963 ( 2.371 2.290 3.586) 4.870 10.055 ( 9.629 -2.492 4.602) 10.960 10.081 ( -7.125 5.597 -7.049) 11.480 10.199 ( -7.576 -1.330 -7.656) 10.853 10.503 ( -5.026 1.510 5.648) 7.710 10.638 ( 5.069 2.372 -6.263) 8.400 10.982 ( 4.768 -0.108 5.100) 6.983 11.039 ( -6.385 4.586 1.340) 7.975 11.083 ( -0.534 3.483 -1.695) 3.910 11.120 ( -0.957 3.635 -1.627) 4.096 11.207 ( 2.814 -3.284 -1.494) 4.575 11.290 ( -0.554 1.290 -7.133) 7.270 11.823 ( 0.095 -5.405 5.726) 7.874 11.920 ( -0.032 -4.711 -3.490) 5.863 12.304 ( 1.162 -1.474 3.323) 3.816 12.327 ( -7.502 -3.004 1.605) 8.239 12.446 ( 7.257 -4.365 -0.050) 8.469 12.458 ( -0.450 -3.400 -0.925) 3.552 12.784 ( 0.978 0.941 1.043) 1.711 12.804 ( -0.300 0.501 -0.757) 0.956 12.903 ( 2.470 2.434 0.895) 3.581 12.910 ( -1.913 5.263 0.338) 5.610 13.243 ( -0.488 2.415 3.991) 4.691 13.304 ( 1.220 3.540 -1.201) 3.932 13.734 ( 3.021 -0.100 0.990) 3.181 13.772 ( -3.213 -0.173 -2.200) 3.898 13.927 ( 1.358 0.323 2.861) 3.183 14.052 ( -3.480 0.793 -7.550) 8.351 14.564 ( -0.042 0.105 1.706) 1.710 14.618 ( -2.074 -0.063 -2.690) 3.397 14.980 ( -0.797 1.960 1.694) 2.710 15.017 ( 1.380 2.645 -1.102) 3.181 15.092 ( 1.557 0.614 4.603) 4.897 15.224 ( -3.071 -4.346 -6.587) 8.468 15.540 ( 3.441 -0.115 10.780) 11.317 15.670 ( 3.584 -1.863 -0.828) 4.124 15.876 ( 1.918 1.910 6.173) 6.741 15.916 ( 0.084 7.433 1.935) 7.681 16.153 ( -1.390 -3.322 -3.547) 5.055 16.202 ( -3.907 -3.463 -5.713) 7.739 16.613 ( 4.192 -1.775 2.978) 5.440 16.717 ( -4.870 -2.834 -5.255) 7.705 17.110 ( 4.893 5.263 2.435) 7.587 17.178 ( -3.606 0.670 -1.324) 3.899 17.364 ( 0.854 1.234 1.689) 2.259 17.541 ( -6.594 -1.947 -7.794) 10.394 17.578 ( -1.243 0.173 1.196) 1.733 17.658 ( -3.747 1.188 -8.480) 9.347 18.012 ( 3.011 -2.521 3.394) 5.191 18.119 ( -1.911 1.868 -4.623) 5.340 18.259 ( 1.209 -8.549 3.877) 9.465 18.349 ( -3.590 -7.658 -3.573) 9.182 18.884 ( 3.291 4.661 2.667) 6.299 18.946 ( -4.301 2.609 -2.717) 5.717 19.057 ( 3.749 3.903 4.383) 6.964 19.147 ( -3.488 2.730 -4.145) 6.067 19.306 ( 5.279 -3.318 6.130) 8.744 19.417 ( 0.953 -5.435 -4.282) 6.984 19.597 ( 13.229 3.431 16.129) 21.140 19.723 ( 11.336 -3.715 15.537) 19.589 19.848 ( 0.831 -0.351 1.202) 1.503 19.868 ( -5.173 -0.099 -7.050) 8.745 20.021 ( -6.403 6.087 -0.281) 8.839 20.140 ( -1.228 5.321 -8.325) 9.956 20.347 ( 2.949 -1.220 3.909) 5.046 20.476 ( -4.705 -7.913 -5.370) 10.658 20.920 ( 12.665 10.341 8.643) 18.494 21.176 ( -15.129 12.436 -14.505) 24.371 21.537 ( 15.868 -4.991 16.001) 23.081 21.881 ( -11.996 -4.106 -11.216) 16.928 21.971 ( 0.130 -1.504 -0.239) 1.528 21.994 ( 1.213 -1.615 0.325) 2.045 22.088 ( 0.516 -2.475 -1.943) 3.189 22.149 ( -9.543 -3.857 -11.430) 15.381 22.403 ( 1.550 2.728 2.058) 3.753 22.452 ( -1.836 2.347 -2.038) 3.610 22.764 ( -0.094 -4.163 -1.384) 4.388 22.844 ( -9.437 -4.807 -9.901) 14.498 24.476 ( 17.167 13.212 17.129) 27.616 24.762 ( -12.160 9.429 -9.057) 17.855 25.143 ( 15.434 -4.127 13.073) 20.643 25.364 ( -4.253 -3.206 -4.667) 7.081 25.422 ( 0.670 -0.360 0.435) 0.876 25.468 ( -6.463 -4.656 -6.194) 10.090 26.111 ( 0.973 -5.988 4.908) 7.803 26.134 ( 0.867 -6.590 2.804) 7.214 26.488 ( 4.214 2.868 1.931) 5.451 26.589 ( -5.928 0.011 -5.097) 7.818 26.960 ( -1.874 -5.572 3.102) 6.647 26.999 ( 2.333 -2.565 0.451) 3.497 27.203 ( 2.523 -1.243 1.178) 3.049 27.248 ( -2.677 -2.475 -3.608) 5.129 27.443 ( 1.187 1.606 2.898) 3.519 27.532 ( -3.167 0.089 -5.083) 5.990 28.073 ( 2.052 4.160 2.589) 5.312 28.084 ( -1.657 0.907 1.801) 2.610 28.283 ( 1.373 0.837 2.499) 2.971 28.346 ( -2.585 4.710 -2.830) 6.072 28.570 ( 10.879 -0.134 12.548) 16.608 28.694 ( 5.376 -3.788 3.561) 7.478 28.809 ( -1.212 4.776 -0.408) 4.944 28.840 ( -5.162 0.570 -3.806) 6.439 29.017 ( 1.371 -0.386 0.183) 1.436 29.048 ( -1.498 -0.360 -2.489) 2.927 29.522 ( -2.261 1.727 3.838) 4.778 29.597 ( -2.820 5.253 -2.014) 6.293 29.670 ( -2.544 -0.681 -0.546) 2.690 29.690 ( 1.435 1.864 -1.798) 2.961 29.991 ( 4.931 -4.811 4.880) 8.442 30.136 ( -5.569 -12.182 -6.995) 15.111 31.193 ( 5.566 4.773 7.308) 10.352 31.347 ( 2.401 1.192 3.527) 4.430 31.487 ( 2.164 1.783 -2.150) 3.533 31.702 ( -6.278 -3.680 -10.667) 12.913 31.867 ( 3.851 3.224 4.622) 6.826 31.962 ( -1.525 0.182 -2.036) 2.550 32.070 ( 3.943 -0.902 0.138) 4.047 32.132 ( -4.798 -1.956 -5.458) 7.526 32.576 ( 0.418 0.852 1.600) 1.861 32.616 ( -0.184 1.136 -2.216) 2.497 32.719 ( -1.546 -5.703 5.285) 7.927 32.851 ( 0.773 -8.546 -6.672) 10.869 33.294 ( 3.496 6.862 10.891) 13.339 33.521 ( -1.194 7.211 -4.254) 8.457 33.699 ( -0.798 0.877 12.474) 12.530 34.133 ( -7.189 -8.644 -20.924) 23.754 38.371 ( -1.388 0.901 5.249) 5.504 38.400 ( 1.585 -2.629 1.864) 3.591 38.691 ( -0.247 3.466 5.205) 6.258 38.840 ( 1.996 9.913 -4.618) 11.116 39.292 ( -0.899 -3.518 3.956) 5.370 39.470 ( -0.807 -1.315 -9.552) 9.676 39.929 ( 0.254 6.371 4.074) 7.566 40.033 ( -2.366 3.688 -5.938) 7.380 40.912 ( -0.258 -5.782 3.509) 6.768 41.004 ( 2.679 -8.527 -4.403) 9.964 41.709 ( 0.014 10.084 5.537) 11.504 41.890 ( 4.796 4.902 -10.453) 12.502 42.322 ( 1.782 1.027 2.872) 3.532 42.402 ( -1.044 -0.195 -3.779) 3.926 43.014 ( -9.642 -6.148 6.626) 13.217 43.103 ( 5.397 -8.253 -1.657) 9.999 ======================= Grid point 140 (74/84) ======================= q-point: (-0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -24.298 14.525 -6.440) 29.032 2.111 ( -16.791 13.797 -7.631) 23.033 2.385 ( 3.547 11.142 -5.087) 12.752 2.556 ( 7.379 7.375 3.545) 11.019 2.697 ( 5.605 2.086 10.208) 11.831 2.798 ( 19.768 0.998 -4.014) 20.196 2.903 ( -4.523 1.175 -3.708) 5.966 3.041 ( -0.788 -9.919 -1.602) 10.079 3.105 ( 0.252 0.407 -0.571) 0.745 3.243 ( 9.905 -9.343 2.671) 13.876 3.301 ( -1.091 -8.780 7.771) 11.775 3.450 ( -0.363 2.063 2.150) 3.001 3.501 ( 7.749 -1.501 -4.350) 9.012 3.547 ( 8.302 2.420 1.444) 8.767 3.828 ( -3.534 -0.599 -2.124) 4.166 3.902 ( -2.276 1.694 6.085) 6.714 4.125 ( 2.268 7.591 -2.326) 8.257 4.194 ( 1.502 -8.753 -5.238) 10.311 4.250 ( 3.523 2.796 0.631) 4.541 4.282 ( 4.020 -1.049 0.876) 4.246 4.464 ( -1.706 -4.006 -1.642) 4.653 4.505 ( -0.112 -1.105 -1.388) 1.778 4.714 ( -2.297 5.591 4.458) 7.510 4.806 ( 5.756 -2.305 1.089) 6.295 5.079 ( -8.095 1.981 -1.062) 8.402 5.283 ( 4.303 -1.257 1.840) 4.846 5.335 ( -5.491 -3.028 -4.281) 7.592 5.520 ( -2.432 3.580 1.234) 4.500 5.557 ( -2.621 -2.814 1.537) 4.141 5.578 ( -1.696 8.334 -0.236) 8.508 5.663 ( 2.045 5.879 -0.199) 6.227 5.853 ( 9.228 2.376 0.950) 9.576 5.914 ( -5.973 -8.272 3.239) 10.705 6.115 ( 1.746 1.337 -4.067) 4.623 6.136 ( -3.138 -7.847 -0.324) 8.457 6.224 ( -1.652 -7.409 1.358) 7.711 6.278 ( 2.900 3.896 3.046) 5.733 6.346 ( 4.698 -9.821 -2.520) 11.174 6.530 ( -3.835 1.156 -6.018) 7.229 6.550 ( -1.692 0.307 -2.229) 2.815 6.699 ( 4.003 -4.139 4.088) 7.061 6.704 ( 4.543 -4.441 0.963) 6.426 6.861 ( 3.877 -0.474 -0.524) 3.941 6.901 ( 5.783 -3.929 4.329) 8.223 7.082 ( 2.595 -1.318 9.252) 9.699 7.170 ( 10.468 0.086 3.181) 10.941 7.549 ( -6.030 2.652 -7.149) 9.721 7.594 ( -3.302 2.609 1.018) 4.329 7.775 ( -5.876 3.775 -3.954) 8.026 7.941 ( 0.981 1.558 -1.812) 2.583 8.142 ( -6.586 -3.650 -8.253) 11.172 8.312 ( -1.923 -4.064 -0.436) 4.517 8.561 ( -4.070 2.335 0.009) 4.692 8.644 ( 3.518 4.824 4.201) 7.300 8.865 ( -0.240 -3.697 0.156) 3.708 8.928 ( 2.197 0.516 3.217) 3.930 9.222 ( -2.011 1.769 1.082) 2.888 9.289 ( 1.717 3.570 -0.368) 3.978 9.535 ( -4.440 -1.537 -3.751) 6.012 9.651 ( -0.641 1.777 1.774) 2.592 9.702 ( -3.537 -4.908 -5.187) 7.969 9.753 ( -2.332 2.030 -0.584) 3.147 9.933 ( -3.822 1.088 -0.720) 4.038 9.995 ( -5.011 -0.748 -5.578) 7.536 10.125 ( 5.958 1.688 4.696) 7.771 10.269 ( 9.592 -1.262 6.096) 11.435 10.481 ( -6.441 1.908 6.305) 9.213 10.632 ( 3.828 2.000 -5.512) 7.002 10.905 ( -6.391 -2.687 -0.059) 6.933 10.962 ( -12.008 2.961 1.114) 12.417 11.125 ( 0.129 5.137 -1.702) 5.413 11.166 ( -0.407 -0.051 -0.416) 0.584 11.180 ( 9.577 1.750 2.471) 10.044 11.355 ( 8.914 -0.649 0.698) 8.965 11.818 ( -1.949 -4.962 -0.325) 5.341 11.972 ( 6.852 -3.634 -0.222) 7.760 12.250 ( -4.691 -0.267 1.613) 4.968 12.319 ( -6.418 -5.139 2.621) 8.630 12.462 ( 6.211 -1.803 -3.018) 7.137 12.534 ( 5.895 -2.940 -2.672) 7.108 12.731 ( -4.445 1.021 -0.567) 4.596 12.810 ( -2.184 -1.186 -0.335) 2.508 12.890 ( 2.479 4.986 -0.133) 5.570 12.977 ( 4.759 2.941 -0.523) 5.619 13.242 ( -2.517 4.117 -0.343) 4.838 13.323 ( 2.925 1.256 -1.336) 3.452 13.668 ( -6.795 0.330 -1.564) 6.981 13.784 ( 0.549 -0.725 2.692) 2.842 13.923 ( -2.245 5.097 -2.539) 6.121 14.053 ( 4.602 -2.064 5.734) 7.636 14.576 ( 0.128 0.882 -0.714) 1.142 14.615 ( 1.407 -0.042 3.388) 3.669 14.985 ( -1.411 2.472 1.090) 3.048 15.015 ( 2.006 3.169 -1.950) 4.227 15.105 ( -2.631 -1.394 -3.910) 4.914 15.219 ( 4.338 -2.267 6.223) 7.918 15.544 ( -6.803 -0.490 -4.808) 8.345 15.631 ( -2.946 -0.682 -5.223) 6.036 15.858 ( -6.226 3.174 -4.776) 8.464 15.949 ( 2.549 3.721 0.367) 4.525 16.145 ( 2.692 -1.116 4.468) 5.334 16.217 ( 3.950 -6.366 4.070) 8.526 16.578 ( -3.996 -0.657 -2.874) 4.965 16.743 ( 3.468 -4.514 2.944) 6.409 17.059 ( -4.137 5.937 -1.254) 7.344 17.213 ( 1.433 2.317 -0.734) 2.822 17.384 ( 3.488 3.052 1.904) 5.011 17.521 ( -2.913 -4.712 0.376) 5.552 17.624 ( 4.988 1.640 3.533) 6.329 17.655 ( 7.912 -0.255 10.942) 13.505 18.004 ( -1.256 -0.467 -1.844) 2.279 18.111 ( 0.860 0.081 1.294) 1.556 18.246 ( -1.296 -5.684 0.755) 5.878 18.405 ( 6.410 -9.396 2.509) 11.648 18.851 ( -3.970 5.562 -1.906) 7.095 18.986 ( 4.102 1.944 2.270) 5.075 19.052 ( -1.699 3.694 -3.301) 5.237 19.165 ( 2.487 1.791 2.696) 4.082 19.267 ( -10.961 -1.755 -11.565) 16.030 19.374 ( -1.883 -5.779 0.516) 6.100 19.546 ( -9.548 2.613 -11.387) 15.088 19.699 ( -12.462 -3.609 -17.894) 22.103 19.831 ( -1.224 -0.433 0.486) 1.386 19.890 ( 3.487 -0.548 3.512) 4.979 20.072 ( 0.424 6.425 5.929) 8.752 20.115 ( 6.437 5.378 3.494) 9.087 20.338 ( -1.879 -0.363 -2.163) 2.888 20.509 ( 6.229 -8.065 5.310) 11.491 20.828 ( -10.196 10.002 -8.089) 16.414 21.271 ( 12.331 11.068 9.942) 19.323 21.467 ( -10.734 -3.399 -12.548) 16.859 21.928 ( 2.484 -4.303 2.850) 5.728 21.976 ( 0.020 -2.578 0.303) 2.596 21.991 ( 4.729 0.385 4.433) 6.493 22.072 ( 0.477 -2.741 1.431) 3.129 22.191 ( 9.594 -4.820 10.562) 15.061 22.396 ( -1.548 2.743 -1.653) 3.557 22.453 ( 0.341 1.655 1.567) 2.305 22.743 ( 0.847 -2.011 3.959) 4.520 22.898 ( 11.093 -6.859 12.071) 17.771 24.358 ( -19.140 13.143 -16.136) 28.275 24.833 ( 5.636 5.760 4.591) 9.275 25.063 ( -10.005 -1.818 -11.617) 15.439 25.383 ( 2.120 -1.148 1.404) 2.790 25.427 ( 1.051 -0.040 0.213) 1.073 25.529 ( 8.939 -3.972 6.184) 11.573 26.067 ( -7.370 -5.280 -1.733) 9.230 26.151 ( -1.086 -8.462 -2.108) 8.787 26.473 ( -0.054 2.386 -1.792) 2.984 26.657 ( 8.613 -0.309 4.044) 9.520 26.927 ( -4.547 -2.046 1.455) 5.194 27.026 ( 1.844 -4.828 -1.747) 5.456 27.160 ( -4.336 -2.880 -1.492) 5.415 27.247 ( -0.026 -3.826 1.728) 4.198 27.440 ( -0.297 3.239 0.278) 3.264 27.554 ( 4.615 -0.309 3.245) 5.650 28.028 ( -4.252 3.337 -1.015) 5.500 28.156 ( 4.142 1.683 -1.390) 4.682 28.275 ( -2.739 0.468 -2.527) 3.756 28.357 ( 2.419 4.384 3.363) 6.031 28.540 ( -7.935 3.655 -12.119) 14.940 28.654 ( -5.559 -5.276 -5.271) 9.302 28.816 ( 2.052 4.105 2.009) 5.010 28.904 ( 4.241 0.707 0.785) 4.370 29.017 ( 1.932 -2.168 0.151) 2.908 29.056 ( 1.977 0.467 1.231) 2.375 29.474 ( -4.336 2.193 2.530) 5.479 29.626 ( 0.433 -0.990 0.236) 1.106 29.689 ( 2.650 1.056 3.151) 4.251 29.755 ( 6.444 4.732 0.875) 8.042 29.958 ( -0.604 -7.084 -3.503) 7.926 30.206 ( 10.210 -6.772 5.821) 13.564 31.154 ( -9.475 4.790 -9.516) 14.258 31.327 ( -4.185 0.719 -3.138) 5.280 31.418 ( -7.515 0.882 -2.583) 7.995 31.664 ( 0.075 -5.363 8.979) 10.459 31.856 ( -3.154 2.816 -4.114) 5.899 31.953 ( -0.542 -0.872 0.941) 1.393 32.041 ( 1.313 2.022 0.546) 2.472 32.181 ( 5.342 -0.770 2.545) 5.967 32.534 ( -2.472 0.104 0.346) 2.499 32.671 ( 4.534 0.820 -0.898) 4.694 32.739 ( -3.841 -7.423 1.876) 8.565 32.812 ( 2.417 -6.534 -0.038) 6.967 33.317 ( -5.006 7.760 -8.608) 12.625 33.521 ( 6.237 9.581 6.331) 13.068 33.763 ( -7.995 -4.198 -10.195) 13.619 34.038 ( 6.096 -7.514 20.522) 22.689 38.375 ( -1.883 0.582 0.084) 1.973 38.442 ( 2.809 -4.200 -1.723) 5.338 38.676 ( -4.432 5.744 -1.057) 7.332 38.907 ( 11.856 11.212 -1.730) 16.409 39.288 ( -3.691 -2.906 0.325) 4.709 39.477 ( 7.894 -2.188 3.246) 8.811 39.920 ( -3.653 5.695 -1.097) 6.855 40.033 ( 3.337 3.001 4.603) 6.429 40.933 ( -2.010 -6.092 2.375) 6.840 40.962 ( 0.183 -7.496 -5.742) 9.444 41.742 ( -3.889 8.279 0.552) 9.164 41.800 ( 0.563 8.252 -6.194) 10.333 42.328 ( -1.810 0.646 -3.931) 4.376 42.380 ( 0.482 -0.941 3.109) 3.284 42.978 ( -6.809 -5.127 7.247) 11.188 43.181 ( 8.144 -9.425 -2.200) 12.649 ======================= Grid point 141 (75/84) ======================= q-point: (-0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -8.161 27.486 -6.656) 29.435 1.849 ( -16.229 26.497 6.011) 31.648 2.429 ( 7.069 5.556 -2.749) 9.403 2.668 ( 3.802 -0.709 4.192) 5.704 2.814 ( -4.085 3.605 9.976) 11.367 2.894 ( 5.317 4.705 -2.799) 7.632 3.034 ( 12.330 -3.718 0.005) 12.879 3.083 ( -1.603 -2.585 4.095) 5.101 3.113 ( 11.276 0.925 -2.367) 11.559 3.339 ( 6.028 -7.035 -2.854) 9.694 3.360 ( -2.972 1.109 3.583) 4.785 3.433 ( 1.891 0.088 -0.169) 1.901 3.562 ( 5.386 1.968 -2.280) 6.171 3.747 ( 6.014 3.493 3.606) 7.834 3.787 ( 2.744 -0.643 0.317) 2.836 3.921 ( -1.137 -1.145 1.314) 2.081 4.102 ( 0.849 -5.704 -7.741) 9.652 4.135 ( 0.602 8.593 -3.184) 9.184 4.276 ( 0.994 1.891 -1.985) 2.916 4.354 ( 2.585 -8.836 1.307) 9.299 4.414 ( 0.835 -6.451 -2.484) 6.963 4.546 ( 4.573 1.409 3.433) 5.889 4.707 ( -8.944 12.209 5.213) 16.007 4.921 ( 5.253 -2.989 2.662) 6.604 5.044 ( -0.268 2.450 2.779) 3.714 5.220 ( -4.171 -1.128 -0.230) 4.326 5.326 ( 0.113 2.251 -2.323) 3.237 5.395 ( -4.793 2.731 -3.419) 6.490 5.579 ( -0.576 0.722 -0.158) 0.937 5.624 ( -2.238 3.608 3.837) 5.722 5.668 ( 0.014 0.377 2.831) 2.856 5.858 ( -3.663 3.898 0.351) 5.361 5.963 ( 1.852 -2.414 2.243) 3.780 6.043 ( 1.559 2.889 -3.869) 5.074 6.116 ( 0.114 -2.067 -0.964) 2.283 6.186 ( -1.847 -8.735 -6.097) 10.811 6.324 ( -0.665 4.855 1.710) 5.190 6.402 ( -0.881 -6.408 3.804) 7.504 6.470 ( 3.928 -0.706 -2.987) 4.985 6.584 ( 6.787 -0.902 0.234) 6.851 6.756 ( 4.899 -6.737 -3.054) 8.873 6.831 ( 8.180 -6.080 2.439) 10.480 6.927 ( 2.618 -2.336 1.772) 3.931 7.052 ( 6.956 -4.068 2.605) 8.469 7.216 ( -2.645 -6.290 5.062) 8.496 7.283 ( -1.563 -1.243 -1.502) 2.499 7.468 ( 6.624 2.499 3.494) 7.896 7.580 ( -1.357 0.021 2.760) 3.075 7.640 ( -4.818 5.519 -4.633) 8.668 7.806 ( -5.534 -2.869 -8.641) 10.655 8.048 ( 1.765 -11.453 -4.249) 12.342 8.211 ( -5.963 -2.787 -0.292) 6.588 8.528 ( -0.988 7.395 3.469) 8.228 8.739 ( -0.785 2.243 1.724) 2.936 8.851 ( 0.335 -9.314 -2.163) 9.568 8.994 ( 2.319 3.803 2.713) 5.215 9.194 ( -0.403 2.927 -3.412) 4.514 9.279 ( -4.186 0.203 -0.734) 4.255 9.389 ( -5.160 -0.526 -7.437) 9.067 9.542 ( -3.792 -0.078 -2.943) 4.801 9.646 ( -8.462 0.439 -1.703) 8.643 9.679 ( 1.032 -1.476 -0.588) 1.895 9.890 ( -3.148 1.888 0.966) 3.796 9.948 ( 5.151 -3.478 -2.628) 6.748 10.234 ( -0.593 4.384 2.637) 5.150 10.393 ( 1.398 1.781 1.633) 2.792 10.512 ( 3.026 -2.648 1.408) 4.260 10.648 ( -0.148 -1.273 2.223) 2.566 10.779 ( -12.362 0.100 4.231) 13.067 10.902 ( 0.806 -3.181 1.438) 3.583 11.065 ( -1.286 3.967 -1.437) 4.410 11.221 ( -0.260 -1.133 3.631) 3.812 11.306 ( 5.679 1.638 -0.176) 5.913 11.471 ( 5.423 -2.147 0.641) 5.867 11.823 ( 4.468 -2.050 -1.404) 5.112 12.038 ( 4.056 -2.837 -2.178) 5.408 12.192 ( -5.747 -1.337 -1.170) 6.016 12.290 ( 0.260 4.172 3.939) 5.744 12.488 ( 0.386 2.206 -2.586) 3.421 12.546 ( 3.102 -1.494 -5.237) 6.267 12.687 ( -1.408 0.198 0.738) 1.602 12.782 ( 0.120 -4.213 0.097) 4.216 12.953 ( 5.246 3.604 0.443) 6.380 13.020 ( 3.733 2.440 -2.172) 4.960 13.194 ( -1.918 3.713 -1.487) 4.435 13.332 ( 0.808 -3.451 -1.249) 3.758 13.554 ( -5.806 2.773 -0.581) 6.460 13.816 ( -1.543 0.030 2.096) 2.603 13.902 ( -0.453 6.209 1.802) 6.481 14.174 ( 2.148 -6.258 4.184) 7.829 14.564 ( -2.148 3.874 -0.507) 4.459 14.691 ( 2.888 1.350 3.214) 4.527 14.941 ( -2.615 0.921 -3.008) 4.091 15.038 ( 3.451 2.298 -0.819) 4.226 15.057 ( -1.083 2.320 1.500) 2.968 15.356 ( -1.216 -1.365 0.171) 1.837 15.393 ( 3.042 1.525 -1.698) 3.803 15.494 ( -5.595 -0.171 -3.753) 6.739 15.716 ( -2.648 2.572 -3.332) 4.974 15.949 ( -0.083 3.634 -4.762) 5.991 16.247 ( 0.629 -2.838 3.121) 4.265 16.290 ( 1.147 -9.981 0.601) 10.064 16.575 ( 2.070 -2.754 4.861) 5.958 16.683 ( -5.177 -4.898 -4.138) 8.241 17.073 ( -0.877 10.578 1.155) 10.677 17.196 ( 0.342 3.266 1.843) 3.765 17.467 ( -2.690 -1.637 1.468) 3.474 17.599 ( -1.691 -2.050 -0.081) 2.659 17.646 ( 12.068 7.621 8.121) 16.421 17.949 ( 6.792 1.293 6.980) 9.825 18.070 ( -1.540 -0.117 -1.965) 2.499 18.187 ( 7.839 -5.394 8.923) 13.044 18.282 ( 0.557 -3.346 2.141) 4.012 18.480 ( 2.854 -8.267 -1.569) 8.886 18.723 ( -11.273 4.325 -9.324) 15.255 18.822 ( -7.896 -0.805 -4.827) 9.289 18.832 ( -9.720 -0.728 -14.204) 17.227 19.111 ( -0.461 1.294 -1.579) 2.093 19.229 ( 5.842 1.756 4.354) 7.494 19.284 ( -4.233 0.192 -6.012) 7.356 19.353 ( -0.049 -3.433 2.333) 4.151 19.540 ( 1.809 -1.229 -0.186) 2.195 19.813 ( 0.436 1.222 -0.420) 1.364 19.946 ( 0.246 -1.115 1.637) 1.996 20.070 ( -3.010 3.804 -2.093) 5.283 20.182 ( -0.137 4.298 1.961) 4.726 20.422 ( 4.961 -0.144 3.577) 6.118 20.582 ( 0.402 -1.885 -3.083) 3.636 20.688 ( -1.905 4.747 1.091) 5.230 21.222 ( -1.273 -3.611 -2.636) 4.648 21.544 ( 4.743 7.694 3.102) 9.556 21.925 ( -0.667 -0.710 1.018) 1.409 21.938 ( -1.428 -4.712 -0.691) 4.972 22.089 ( -0.702 0.414 1.439) 1.654 22.119 ( 1.473 -0.825 1.741) 2.425 22.329 ( -0.708 2.137 -0.465) 2.299 22.395 ( -2.068 -3.554 0.999) 4.231 22.488 ( 1.215 -2.895 4.706) 5.657 22.949 ( 10.473 2.990 11.475) 15.821 23.348 ( 11.769 -10.366 17.196) 23.274 23.867 ( -17.280 14.754 -14.945) 27.196 24.535 ( -8.852 -7.491 -13.853) 18.065 25.124 ( 4.247 13.385 3.210) 14.405 25.405 ( 1.124 -0.004 0.246) 1.150 25.451 ( 1.521 -0.855 -0.039) 1.745 25.687 ( 4.018 0.105 3.360) 5.239 25.920 ( -7.382 -6.793 -2.004) 10.230 26.077 ( -1.508 -10.307 -5.082) 11.591 26.513 ( 3.519 -0.541 -0.109) 3.562 26.687 ( -0.099 -3.615 -2.071) 4.168 26.995 ( -2.418 2.024 -0.161) 3.157 27.029 ( 4.000 1.215 2.807) 5.036 27.062 ( -2.060 -4.573 -0.122) 5.017 27.268 ( 0.080 -2.848 0.287) 2.863 27.500 ( 5.747 5.099 1.425) 7.814 27.655 ( 2.003 0.641 2.054) 2.939 27.894 ( -7.197 1.509 -4.313) 8.526 28.087 ( -5.664 0.272 -4.555) 7.274 28.237 ( 1.286 -2.758 -0.944) 3.186 28.341 ( -1.148 0.460 -2.504) 2.793 28.439 ( -5.375 -1.513 -5.491) 7.831 28.493 ( 4.706 2.062 -2.311) 5.633 28.857 ( 1.320 4.864 0.768) 5.098 28.909 ( -0.587 0.497 -1.276) 1.490 29.035 ( 1.120 -2.436 -1.867) 3.267 29.128 ( 2.377 1.782 3.777) 4.805 29.464 ( 0.278 0.748 0.781) 1.117 29.617 ( -0.919 1.070 -2.261) 2.664 29.725 ( 0.256 1.384 -1.950) 2.405 29.776 ( -0.714 -2.358 2.644) 3.614 30.070 ( 9.906 6.121 -4.770) 12.584 30.391 ( 7.335 -5.348 -1.404) 9.186 30.895 ( -10.085 1.639 -8.787) 13.476 31.048 ( -8.585 -1.246 -0.444) 8.687 31.462 ( -4.240 0.488 8.064) 9.124 31.675 ( -6.594 -5.560 3.789) 9.421 31.824 ( 0.040 5.886 1.909) 6.188 31.953 ( -0.143 0.777 -0.368) 0.871 32.102 ( 4.355 1.713 2.680) 5.393 32.257 ( 0.361 -0.424 1.657) 1.747 32.543 ( 1.556 -1.116 1.323) 2.327 32.661 ( 0.338 0.097 -2.901) 2.922 32.734 ( -2.295 -5.356 3.588) 6.843 32.880 ( 2.637 -6.492 2.745) 7.526 33.137 ( -3.345 4.951 -9.733) 11.421 33.469 ( -3.646 -3.457 -12.637) 13.600 33.772 ( 3.965 11.727 11.218) 16.705 34.371 ( 0.838 -13.885 19.076) 23.609 38.324 ( -1.324 4.005 -4.161) 5.925 38.425 ( 1.780 -4.660 -5.810) 7.658 38.627 ( -1.153 -0.763 0.362) 1.429 38.973 ( 5.304 0.443 -9.586) 10.965 39.362 ( 8.223 7.859 5.929) 12.827 39.659 ( 7.898 0.367 5.687) 9.740 39.859 ( -2.909 8.252 -1.204) 8.832 40.168 ( 3.042 0.161 6.772) 7.426 40.875 ( -1.501 -3.770 -3.176) 5.153 40.942 ( -0.896 -5.245 3.289) 6.255 41.629 ( -3.250 9.080 -4.908) 10.821 41.768 ( -4.792 7.178 2.474) 8.978 42.269 ( -0.797 1.006 -2.063) 2.430 42.403 ( -1.360 -2.455 1.365) 3.121 43.006 ( -3.182 -6.744 8.954) 11.653 43.268 ( 7.989 -11.068 -2.896) 13.954 ======================= Grid point 142 (76/84) ======================= q-point: (-0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 13.449 31.257 13.736) 36.695 1.839 ( -4.844 26.147 17.686) 31.936 2.488 ( 6.067 4.535 -2.868) 8.100 2.737 ( 0.170 1.718 -7.327) 7.527 2.848 ( -6.342 3.449 11.525) 13.599 2.913 ( 4.907 -2.140 -3.654) 6.481 3.064 ( -3.339 -4.225 3.217) 6.273 3.170 ( 2.699 -2.108 2.136) 4.036 3.272 ( 8.704 3.109 -0.544) 9.259 3.346 ( -5.871 7.919 8.627) 13.100 3.457 ( 6.809 4.774 -1.613) 8.471 3.489 ( 11.722 -2.548 -0.898) 12.029 3.645 ( 4.028 2.659 5.473) 7.297 3.754 ( 0.556 -0.839 -2.868) 3.039 3.817 ( -6.036 -2.996 -5.704) 8.828 3.927 ( 5.168 -1.485 2.321) 5.856 4.090 ( 2.808 -0.539 1.483) 3.221 4.121 ( 2.983 3.544 -3.345) 5.714 4.251 ( 1.611 1.298 -3.121) 3.745 4.377 ( 2.251 -2.846 -4.267) 5.601 4.455 ( 4.427 -4.926 1.260) 6.741 4.618 ( -5.501 7.570 3.630) 10.037 4.653 ( -0.431 2.608 3.115) 4.086 4.975 ( -2.090 -2.253 3.713) 4.820 5.040 ( -0.724 5.984 -3.668) 7.056 5.207 ( -0.951 2.489 1.448) 3.033 5.250 ( -4.763 2.189 -0.868) 5.313 5.388 ( 4.968 2.288 1.839) 5.771 5.526 ( -2.207 8.070 -6.761) 10.757 5.580 ( -6.501 -1.684 3.662) 7.649 5.706 ( -4.396 0.857 4.419) 6.292 5.823 ( 0.501 6.209 -2.769) 6.817 5.953 ( -1.026 -3.640 -10.483) 11.145 6.023 ( 0.093 -5.443 -0.057) 5.444 6.100 ( 0.134 0.715 -0.930) 1.181 6.124 ( 4.162 -1.029 -0.172) 4.290 6.324 ( -3.214 6.092 1.293) 7.009 6.431 ( 1.071 -8.987 0.958) 9.101 6.480 ( -1.110 -5.185 2.130) 5.714 6.651 ( 4.446 -0.722 -2.601) 5.201 6.815 ( 5.878 -7.851 -4.103) 10.631 6.870 ( -3.762 -4.329 -1.738) 5.992 6.964 ( 0.265 -2.160 0.054) 2.177 7.077 ( 0.313 -6.034 -3.014) 6.752 7.241 ( -0.038 -3.331 4.139) 5.314 7.391 ( 10.512 -5.739 1.357) 12.053 7.447 ( -2.868 -2.701 -3.199) 5.075 7.575 ( -5.028 -6.162 -4.409) 9.093 7.603 ( -0.427 5.546 2.966) 6.304 7.715 ( 3.599 1.248 2.687) 4.661 8.048 ( 3.036 -5.208 0.573) 6.055 8.172 ( -2.031 -3.769 1.156) 4.435 8.604 ( -6.718 -6.023 -3.673) 9.742 8.662 ( 3.636 1.554 7.903) 8.837 8.890 ( 6.376 -3.874 -0.413) 7.472 9.001 ( -4.591 5.267 -7.171) 10.012 9.081 ( -5.769 -2.707 -5.840) 8.644 9.204 ( 3.824 -2.517 1.934) 4.970 9.302 ( -3.529 8.736 -1.905) 9.613 9.495 ( -1.367 1.306 -0.699) 2.016 9.566 ( -3.860 -3.912 3.627) 6.585 9.692 ( 2.352 0.414 -2.327) 3.335 9.885 ( -0.720 2.263 3.286) 4.054 9.987 ( 4.315 -5.758 -2.832) 7.733 10.160 ( -5.141 8.960 -2.517) 10.632 10.440 ( 1.177 -3.103 0.566) 3.366 10.547 ( -4.363 -5.909 1.064) 7.422 10.566 ( -2.399 -1.907 -1.371) 3.357 10.771 ( -3.367 -2.565 6.097) 7.422 10.936 ( 1.504 -8.023 -1.318) 8.268 11.082 ( -0.573 4.562 6.586) 8.032 11.226 ( -1.261 0.336 1.697) 2.141 11.347 ( 2.221 1.059 -2.837) 3.755 11.503 ( 0.445 -4.421 -2.780) 5.241 11.901 ( 7.134 1.160 -0.578) 7.251 12.045 ( 0.885 -1.106 -2.376) 2.766 12.137 ( -0.605 2.574 1.004) 2.828 12.341 ( -0.385 9.293 1.222) 9.381 12.430 ( -3.600 2.067 -0.682) 4.207 12.521 ( 3.181 2.370 -5.198) 6.539 12.695 ( 0.431 0.115 1.790) 1.845 12.809 ( 2.000 -6.019 -0.167) 6.345 13.018 ( 4.914 6.992 -2.082) 8.796 13.060 ( 1.649 -1.816 1.342) 2.796 13.175 ( 2.639 0.671 -0.111) 2.726 13.326 ( -1.916 -6.956 1.444) 7.358 13.506 ( -0.853 3.745 0.714) 3.907 13.761 ( -5.951 0.687 -2.345) 6.434 13.943 ( 1.242 4.150 3.618) 5.644 14.187 ( -2.952 -6.500 -1.182) 7.236 14.530 ( -0.758 4.894 -0.185) 4.956 14.685 ( -4.245 1.442 -3.115) 5.459 14.931 ( 4.039 1.151 0.520) 4.232 15.059 ( -1.748 1.106 2.706) 3.406 15.092 ( 2.827 -2.273 -0.267) 3.637 15.252 ( -2.034 1.590 -8.451) 8.837 15.420 ( -0.619 10.183 6.456) 12.073 15.545 ( 5.329 -3.536 4.079) 7.586 15.703 ( 1.375 2.054 0.357) 2.497 15.856 ( -0.892 3.365 -7.390) 8.169 16.219 ( -3.824 -5.873 -1.587) 7.186 16.284 ( -0.330 -12.388 -1.305) 12.461 16.552 ( -2.648 0.870 -0.236) 2.798 16.765 ( 5.314 -4.403 6.991) 9.824 16.982 ( -4.693 11.889 -3.121) 13.157 17.284 ( 0.022 3.409 3.266) 4.721 17.463 ( -0.824 1.095 -1.065) 1.735 17.600 ( -2.736 5.713 -2.837) 6.941 17.630 ( -2.576 0.859 -2.397) 3.622 17.964 ( -16.071 -3.763 -14.739) 22.128 18.035 ( -0.320 -3.569 -1.760) 3.993 18.105 ( -1.206 1.678 -0.158) 2.073 18.284 ( -2.221 -5.328 -1.467) 5.956 18.410 ( -1.377 -6.210 -5.779) 8.594 18.705 ( 3.371 5.413 4.453) 7.778 18.713 ( 13.239 1.372 12.657) 18.367 19.039 ( 2.099 -1.967 1.246) 3.135 19.118 ( 4.335 -0.508 5.880) 7.322 19.213 ( 4.336 3.328 3.703) 6.602 19.405 ( 2.930 -1.563 4.318) 5.448 19.454 ( 8.980 -2.881 8.516) 12.707 19.567 ( 2.450 0.202 1.388) 2.823 19.849 ( 3.403 1.002 1.400) 3.814 19.939 ( -0.500 1.693 -2.640) 3.176 19.997 ( -4.341 -0.638 0.446) 4.410 20.187 ( -1.377 2.184 0.312) 2.600 20.365 ( -5.204 -1.953 -7.012) 8.948 20.585 ( 0.212 -3.734 -3.127) 4.875 20.751 ( 4.118 10.991 8.076) 14.247 21.297 ( 6.903 -4.920 6.603) 10.745 21.556 ( -1.925 8.531 -4.124) 9.669 21.916 ( -0.103 -1.363 0.747) 1.558 21.965 ( 1.228 -3.983 2.630) 4.928 22.063 ( -2.862 1.295 -0.816) 3.245 22.123 ( -1.067 -1.629 -0.329) 1.975 22.307 ( -0.459 3.480 -1.558) 3.840 22.380 ( -0.976 -3.727 1.767) 4.238 22.475 ( -5.777 -4.644 -1.666) 7.597 22.925 ( -14.170 3.891 -13.411) 19.895 23.245 ( -20.122 -9.645 -16.382) 27.682 23.840 ( 14.897 15.021 15.833) 26.424 24.661 ( 15.311 -6.392 12.600) 20.833 25.135 ( -1.134 10.314 -0.461) 10.386 25.429 ( 1.406 -0.630 0.758) 1.717 25.463 ( 0.688 -1.361 -0.580) 1.631 25.741 ( 0.146 3.493 1.436) 3.780 25.848 ( -2.828 -4.275 1.778) 5.425 25.983 ( -0.867 -14.411 -7.726) 16.374 26.531 ( 2.095 -0.655 -0.419) 2.235 26.751 ( 5.077 -4.051 4.013) 7.635 26.914 ( -0.955 1.283 -0.108) 1.603 27.022 ( -6.217 6.908 -6.462) 11.319 27.073 ( -0.160 -6.087 0.343) 6.098 27.208 ( -3.955 1.549 -3.972) 5.815 27.524 ( -1.940 2.830 -3.470) 4.880 27.660 ( -0.850 1.078 -3.037) 3.333 27.851 ( 0.457 -0.289 2.268) 2.331 28.061 ( 5.245 -5.202 2.941) 7.951 28.240 ( 2.795 1.936 0.524) 3.440 28.320 ( 0.335 -0.519 -0.116) 0.628 28.425 ( 2.210 1.865 2.345) 3.723 28.590 ( 11.182 -6.311 5.196) 13.852 28.864 ( 1.543 6.137 -1.771) 6.572 28.891 ( -1.397 0.775 0.590) 1.703 29.014 ( -0.417 -1.248 -1.483) 1.983 29.173 ( -0.085 -0.143 0.145) 0.221 29.503 ( 1.068 2.099 2.249) 3.256 29.532 ( -4.846 2.067 -7.281) 8.987 29.707 ( 2.164 4.900 -4.870) 7.239 29.790 ( -2.013 0.159 0.729) 2.147 29.931 ( -8.243 -1.135 -8.578) 11.951 30.203 ( -11.136 -8.484 -18.665) 23.332 30.927 ( 10.695 4.419 8.246) 14.209 31.089 ( 5.272 0.644 5.595) 7.715 31.498 ( -5.455 -1.104 5.462) 7.798 31.593 ( -7.627 -1.946 1.960) 8.112 31.869 ( 1.384 5.608 4.590) 7.377 31.970 ( 1.484 2.575 0.681) 3.049 32.219 ( 4.599 -0.463 4.624) 6.539 32.243 ( -2.742 0.393 0.863) 2.901 32.565 ( -0.491 0.025 -0.229) 0.542 32.676 ( 3.855 -0.022 0.022) 3.855 32.735 ( -3.107 -5.046 3.093) 6.684 32.916 ( 0.624 -3.214 -3.807) 5.021 32.999 ( -2.462 -0.026 -2.616) 3.593 33.275 ( -3.025 -4.365 -10.293) 11.582 33.976 ( 5.188 10.962 10.665) 16.151 34.464 ( -9.268 -9.923 5.991) 14.841 38.259 ( -0.152 3.552 -3.521) 5.003 38.367 ( 0.291 -4.001 -5.586) 6.877 38.635 ( 0.022 -3.363 1.703) 3.769 38.890 ( 1.838 -5.475 -10.304) 11.812 39.538 ( 7.532 10.420 1.738) 12.974 39.769 ( -1.689 5.163 -2.651) 6.045 39.856 ( 5.946 7.486 4.366) 10.510 40.181 ( -7.794 4.134 0.674) 8.848 40.915 ( 2.778 -4.434 5.301) 7.449 41.023 ( 6.002 -4.896 3.595) 8.539 41.572 ( -0.997 7.611 1.085) 7.752 41.722 ( -3.096 6.096 0.125) 6.839 42.258 ( 0.698 0.869 0.392) 1.181 42.380 ( -1.983 -2.359 -0.677) 3.156 43.100 ( -1.413 -11.797 10.504) 15.859 43.329 ( 5.474 -13.102 -3.429) 14.608 ======================= Grid point 143 (77/84) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 4.195 15.770 6.076) 17.413 2.375 ( -4.117 14.672 4.247) 15.820 2.638 ( 0.031 -6.124 3.198) 6.909 2.678 ( 2.062 5.851 0.092) 6.204 2.735 ( 3.858 -5.796 -0.380) 6.973 2.831 ( -0.178 -1.622 1.532) 2.238 3.010 ( -3.392 2.177 -0.928) 4.136 3.177 ( -3.707 -6.821 -6.122) 9.887 3.388 ( 0.788 0.443 1.790) 2.005 3.430 ( -1.085 -1.254 4.642) 4.930 3.490 ( -0.716 2.495 -1.506) 3.001 3.573 ( 0.530 -2.014 -2.953) 3.614 3.707 ( -1.735 2.522 4.630) 5.551 3.737 ( -1.378 -1.445 0.713) 2.120 3.940 ( 3.411 5.327 3.722) 7.339 4.009 ( 0.791 -0.290 -2.209) 2.364 4.099 ( 0.336 2.010 3.049) 3.668 4.164 ( 0.184 -4.436 2.836) 5.268 4.230 ( -0.042 2.623 -5.016) 5.661 4.276 ( 2.235 -2.826 -3.935) 5.336 4.673 ( 12.418 9.647 3.982) 16.221 4.719 ( -5.428 7.929 0.141) 9.610 4.814 ( 3.252 1.110 8.890) 9.531 4.944 ( -9.055 -6.766 -1.159) 11.363 5.173 ( -0.518 10.895 8.365) 13.745 5.267 ( -4.568 3.674 4.873) 7.623 5.333 ( -0.449 2.835 -2.372) 3.723 5.382 ( 5.662 -2.950 5.992) 8.756 5.578 ( 3.414 10.529 -9.117) 14.340 5.624 ( -7.359 0.485 -7.302) 10.379 5.684 ( 0.689 7.327 -0.617) 7.386 5.739 ( -2.318 7.648 -2.327) 8.323 5.859 ( 3.107 -1.053 -0.574) 3.331 5.941 ( 3.444 -7.388 -8.305) 11.637 5.987 ( 1.399 -14.058 1.617) 14.220 6.074 ( -1.108 -17.728 -4.116) 18.233 6.264 ( 2.864 0.533 4.944) 5.738 6.298 ( -2.398 -5.406 6.996) 9.161 6.424 ( -3.716 3.571 -6.043) 7.942 6.537 ( -1.411 -8.639 -11.584) 14.519 6.739 ( -4.134 4.950 0.714) 6.488 6.777 ( 0.543 2.421 -0.115) 2.484 6.874 ( -5.924 -2.993 -0.107) 6.638 6.931 ( 5.718 -7.243 -2.858) 9.660 7.202 ( -3.643 -0.672 0.410) 3.727 7.228 ( -1.456 -2.083 -1.052) 2.750 7.430 ( 2.157 -2.055 0.111) 2.981 7.452 ( 2.135 -4.198 -0.969) 4.809 7.875 ( 7.756 8.485 5.081) 12.569 7.922 ( -4.471 6.848 0.782) 8.216 8.065 ( 4.887 -5.385 4.009) 8.304 8.096 ( 1.889 -4.816 0.770) 5.230 8.470 ( 0.367 -0.757 1.799) 1.986 8.521 ( -0.333 -6.342 -1.796) 6.600 8.887 ( -2.767 2.216 -2.407) 4.285 8.936 ( -3.455 -2.673 -5.730) 7.205 9.161 ( 3.192 8.838 5.792) 11.039 9.271 ( 2.985 -1.858 0.645) 3.575 9.325 ( -0.104 2.232 -3.975) 4.560 9.385 ( -1.098 -5.016 -4.246) 6.663 9.596 ( -2.858 4.898 4.273) 7.101 9.680 ( 1.860 -0.103 -2.326) 2.980 9.852 ( -3.281 -4.558 -0.568) 5.645 9.903 ( 4.261 -5.251 -5.321) 8.605 10.304 ( 0.606 4.721 6.140) 7.769 10.357 ( -3.158 -0.242 1.497) 3.503 10.445 ( -2.526 1.722 1.866) 3.582 10.512 ( 2.064 -3.104 -3.363) 5.021 10.748 ( 0.619 -1.552 1.723) 2.400 10.774 ( -0.560 -4.715 -0.477) 4.772 11.216 ( -1.489 3.085 6.442) 7.296 11.266 ( 0.012 -2.137 6.161) 6.521 11.347 ( 0.836 2.445 -4.921) 5.559 11.392 ( -0.373 -2.223 -4.848) 5.347 11.995 ( 1.473 0.292 -0.365) 1.546 12.004 ( 0.539 -0.748 -1.373) 1.654 12.312 ( 0.435 8.841 4.097) 9.754 12.388 ( -2.797 3.047 -2.008) 4.598 12.501 ( -1.658 4.558 1.346) 5.034 12.562 ( 3.281 -0.651 -3.552) 4.879 12.721 ( -0.663 -1.248 1.376) 1.972 12.740 ( 0.896 -3.272 -0.078) 3.394 13.075 ( -1.279 1.035 2.430) 2.935 13.106 ( 1.323 -1.470 -0.144) 1.983 13.186 ( -1.177 -0.928 0.214) 1.514 13.209 ( 3.979 -2.529 -1.358) 4.906 13.591 ( 0.743 2.558 -0.270) 2.677 13.630 ( -3.336 -1.090 -3.554) 4.994 14.035 ( 1.003 0.538 1.364) 1.777 14.055 ( -1.532 -1.797 -0.526) 2.420 14.577 ( -0.796 1.503 -1.036) 1.991 14.591 ( -2.693 0.090 -2.377) 3.594 14.959 ( 1.422 -2.423 0.769) 2.913 14.977 ( -1.069 -4.103 -0.753) 4.306 15.187 ( 0.840 6.406 -0.515) 6.482 15.213 ( -1.104 4.142 -3.028) 5.248 15.522 ( 1.743 -3.497 2.734) 4.769 15.565 ( 3.217 -6.930 -0.975) 7.702 15.853 ( -0.770 8.922 -0.328) 8.961 15.870 ( -1.499 6.551 -2.005) 7.013 16.047 ( -0.200 -6.835 0.283) 6.844 16.054 ( -0.100 -8.009 -0.159) 8.011 16.724 ( 4.625 6.963 6.978) 10.889 16.804 ( -0.020 0.068 1.220) 1.222 17.163 ( 1.125 9.156 3.135) 9.744 17.328 ( -0.882 -6.040 0.918) 6.173 17.354 ( -9.566 6.460 -12.083) 16.710 17.444 ( -8.588 -2.531 -8.701) 12.485 17.611 ( 5.049 0.240 8.271) 9.693 17.678 ( 2.537 -4.776 4.356) 6.944 17.987 ( -0.323 0.896 -3.539) 3.665 18.061 ( -4.472 -5.772 -7.797) 10.682 18.202 ( 1.254 1.519 2.328) 3.049 18.245 ( -1.475 -2.898 -1.870) 3.751 18.860 ( 1.493 3.272 1.525) 3.906 18.906 ( -1.163 -1.515 -2.656) 3.272 19.205 ( 7.372 4.208 8.201) 11.803 19.257 ( 1.235 -0.111 3.115) 3.353 19.360 ( 0.741 1.827 4.479) 4.894 19.420 ( 1.564 -3.340 0.346) 3.704 19.659 ( 9.528 5.942 9.006) 14.394 19.756 ( 7.687 -2.912 5.970) 10.160 19.899 ( -4.773 2.712 -1.998) 5.842 19.925 ( -0.696 2.909 -2.886) 4.156 19.944 ( -2.392 -1.476 2.466) 3.739 20.038 ( -1.269 -6.671 -6.665) 9.515 20.307 ( -1.558 2.507 -0.067) 2.952 20.381 ( -2.932 -4.844 -5.632) 7.987 21.240 ( 10.275 10.493 13.362) 19.855 21.388 ( 5.272 -4.182 6.061) 9.056 21.634 ( -1.700 6.044 -2.987) 6.953 21.768 ( -7.182 -7.197 -8.491) 13.246 21.996 ( 1.773 -0.033 3.905) 4.289 22.013 ( 0.575 -1.722 3.511) 3.953 22.086 ( -3.297 1.437 -3.399) 4.948 22.135 ( -6.208 -3.362 -6.287) 9.454 22.406 ( 3.112 2.262 1.331) 4.071 22.426 ( 0.050 0.484 0.148) 0.509 22.639 ( -7.001 0.632 -6.120) 9.320 22.679 ( -9.841 -3.607 -8.838) 13.709 24.598 ( 14.693 15.344 17.228) 27.351 24.822 ( 4.179 -2.243 3.293) 5.774 25.170 ( -1.696 -0.524 0.015) 1.775 25.361 ( -6.505 -11.498 -9.003) 15.987 25.461 ( 0.073 -0.244 0.092) 0.271 25.486 ( -2.177 -6.104 -4.144) 7.693 25.852 ( 1.197 1.239 0.432) 1.777 25.859 ( 1.092 0.786 -0.023) 1.346 26.726 ( 8.327 6.961 7.151) 12.998 26.833 ( 5.095 -2.758 3.702) 6.875 26.904 ( -4.586 1.011 -3.556) 5.890 26.936 ( -2.213 -2.162 -0.801) 3.196 27.017 ( -3.851 2.389 0.881) 4.616 27.066 ( -5.166 -1.964 -2.951) 6.266 27.498 ( -1.488 1.513 -0.803) 2.269 27.529 ( -1.776 -1.514 -3.607) 4.296 27.963 ( 2.598 2.722 2.184) 4.351 28.016 ( 0.765 -2.332 -1.786) 3.035 28.270 ( -0.604 1.073 -2.552) 2.834 28.324 ( -0.797 -3.287 -5.526) 6.479 28.659 ( 11.769 3.344 13.612) 18.302 28.755 ( 11.525 -6.559 10.762) 17.079 28.902 ( -2.102 2.935 -0.066) 3.611 28.947 ( 0.122 -1.300 -2.710) 3.008 29.051 ( 5.539 3.510 3.558) 7.461 29.121 ( 2.463 -3.284 0.609) 4.150 29.250 ( -15.100 2.359 -14.685) 21.195 29.317 ( -14.594 -4.242 -16.566) 22.482 29.736 ( -3.210 1.452 1.061) 3.679 29.764 ( 0.340 -1.170 -0.197) 1.234 29.825 ( -0.423 2.938 -0.788) 3.071 29.874 ( 3.836 -2.155 -4.892) 6.579 31.190 ( 5.591 1.478 2.167) 6.176 31.211 ( 2.403 -0.815 0.452) 2.577 31.470 ( -0.186 0.724 3.629) 3.705 31.496 ( -4.559 -2.058 1.809) 5.319 32.059 ( 1.809 3.570 4.727) 6.193 32.071 ( 1.884 2.209 3.516) 4.559 32.243 ( -0.815 0.344 1.529) 1.766 32.265 ( 1.023 -1.986 0.417) 2.272 32.595 ( -1.496 2.137 3.790) 4.601 32.640 ( -2.606 -2.400 2.461) 4.314 32.769 ( 3.471 1.563 -1.136) 3.973 32.810 ( 1.047 -1.401 -6.148) 6.392 32.966 ( -0.478 0.995 -1.484) 1.849 33.032 ( -1.579 -4.919 -7.320) 8.960 34.285 ( 0.845 3.761 7.122) 8.098 34.329 ( -3.747 -0.951 3.276) 5.067 38.267 ( -0.427 1.488 -2.053) 2.571 38.281 ( 0.342 -0.216 -3.173) 3.199 38.612 ( 0.144 -0.550 0.062) 0.572 38.665 ( -0.251 -5.675 -5.084) 7.624 39.764 ( 2.193 3.868 0.305) 4.457 39.782 ( -1.601 2.096 -1.374) 2.974 40.117 ( 1.649 4.608 4.871) 6.905 40.149 ( -4.272 1.914 2.002) 5.091 40.962 ( 0.011 0.135 3.243) 3.246 41.005 ( 1.120 -4.171 -0.308) 4.330 41.713 ( 1.078 4.410 1.446) 4.765 41.757 ( 2.789 0.093 -2.243) 3.580 42.303 ( 1.100 0.914 0.633) 1.564 42.320 ( 0.017 -0.876 -0.819) 1.199 43.023 ( -2.485 -2.622 4.382) 5.679 43.092 ( -0.224 -9.287 -2.162) 9.538 ======================= Grid point 144 (78/84) ======================= q-point: ( 0.12 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -3.978 18.312 -4.732) 19.327 2.457 ( 4.151 10.396 3.062) 11.605 2.632 ( -2.494 -1.494 -4.779) 5.594 2.641 ( -7.549 -6.018 1.135) 9.721 2.691 ( -0.362 10.372 -6.075) 12.026 2.873 ( 4.761 -1.478 1.631) 5.245 3.054 ( 0.615 -6.030 -2.270) 6.472 3.154 ( 2.894 -9.199 10.904) 14.556 3.321 ( -11.753 6.319 -2.533) 13.582 3.391 ( -7.676 2.502 2.333) 8.404 3.467 ( -6.567 0.592 -0.150) 6.596 3.494 ( -4.995 -2.245 -0.563) 5.505 3.652 ( -7.290 -0.136 1.195) 7.389 3.698 ( -6.055 -2.435 1.356) 6.666 3.939 ( -2.364 3.817 -0.146) 4.492 4.003 ( -2.846 4.390 -2.907) 5.985 4.027 ( -3.815 -4.501 0.194) 5.904 4.112 ( -6.816 -6.188 -2.214) 9.469 4.255 ( 5.751 4.724 -0.348) 7.451 4.317 ( 5.239 -0.451 -0.574) 5.289 4.539 ( -10.561 7.650 -3.852) 13.598 4.700 ( -8.594 -3.847 -3.306) 9.980 4.871 ( 2.019 6.547 -2.203) 7.196 4.974 ( 3.190 2.036 8.104) 8.944 5.245 ( 1.252 10.955 -1.196) 11.091 5.324 ( 1.937 1.640 -4.135) 4.851 5.391 ( 3.063 2.751 3.886) 5.661 5.441 ( 3.723 4.367 -5.750) 8.123 5.477 ( 2.858 2.633 0.635) 3.937 5.566 ( -3.193 -3.603 10.246) 11.320 5.705 ( 3.836 4.671 2.268) 6.456 5.775 ( 3.040 8.274 -1.894) 9.016 5.855 ( 0.360 -6.398 -6.577) 9.182 5.917 ( 2.142 -6.180 1.864) 6.801 5.963 ( 3.107 -5.461 -1.797) 6.535 6.147 ( 5.829 -15.410 -1.558) 16.549 6.221 ( -4.991 3.634 0.453) 6.190 6.344 ( -2.456 -9.428 0.754) 9.772 6.459 ( 5.482 -1.148 2.932) 6.322 6.467 ( 1.632 -4.840 5.009) 7.154 6.670 ( -6.187 3.820 2.876) 7.819 6.749 ( -7.557 -3.923 2.946) 9.010 6.893 ( 6.657 4.335 1.383) 8.063 6.991 ( 4.619 -4.174 -3.038) 6.927 7.206 ( 0.316 0.062 3.817) 3.830 7.239 ( 2.132 -2.953 3.293) 4.910 7.418 ( -2.250 -1.801 -4.131) 5.037 7.446 ( -0.183 -4.475 -1.336) 4.674 7.828 ( -3.114 8.231 -3.766) 9.572 7.970 ( -8.844 -5.047 -4.354) 11.075 8.018 ( 4.584 8.066 -3.181) 9.808 8.164 ( 4.096 -5.455 -3.632) 7.728 8.468 ( 0.516 -1.509 0.906) 1.834 8.515 ( 0.697 -7.696 1.162) 7.815 8.901 ( 2.508 1.477 3.333) 4.425 8.920 ( -0.188 -1.409 2.890) 3.220 9.115 ( -4.620 9.304 -1.419) 10.485 9.262 ( -3.360 -5.494 -5.221) 8.291 9.340 ( 2.908 2.142 2.650) 4.480 9.377 ( 2.645 -1.323 1.601) 3.363 9.638 ( 0.781 1.571 2.553) 3.098 9.688 ( 3.132 1.102 -2.920) 4.422 9.822 ( -0.975 -0.384 2.345) 2.569 9.927 ( 4.019 -7.190 -2.832) 8.710 10.336 ( 0.983 7.110 -0.993) 7.246 10.400 ( 3.260 0.288 2.700) 4.243 10.438 ( -2.507 0.969 2.129) 3.429 10.526 ( 4.829 -5.249 -1.192) 7.231 10.781 ( 3.712 -1.686 -0.293) 4.088 10.806 ( 4.523 -3.433 0.209) 5.682 11.254 ( -1.808 1.327 1.704) 2.817 11.279 ( -2.480 -1.004 -0.519) 2.725 11.310 ( 0.404 4.025 -1.077) 4.186 11.379 ( 1.844 -3.055 0.913) 3.684 11.942 ( -5.439 2.405 -1.432) 6.117 11.990 ( -1.891 -2.602 -1.098) 3.399 12.288 ( -3.967 7.702 -0.972) 8.718 12.372 ( -3.050 1.215 3.931) 5.121 12.501 ( -0.793 4.149 1.253) 4.406 12.544 ( -0.415 -0.113 -3.143) 3.172 12.730 ( 0.662 -1.052 0.617) 1.388 12.747 ( 0.887 -0.884 -1.364) 1.851 13.051 ( -4.093 0.908 0.791) 4.267 13.062 ( -4.767 -1.515 -0.950) 5.091 13.189 ( 1.767 2.103 -0.974) 2.914 13.246 ( 3.088 -4.647 -2.320) 6.043 13.595 ( 1.806 3.309 -0.160) 3.773 13.657 ( 4.588 -2.555 3.735) 6.444 14.015 ( -2.352 1.395 -0.050) 2.735 14.067 ( 0.588 -3.823 0.853) 3.961 14.578 ( 1.271 2.583 1.939) 3.471 14.611 ( 3.342 -0.798 3.056) 4.598 14.944 ( -1.472 -0.727 -0.918) 1.881 14.990 ( 1.169 -5.219 0.629) 5.385 15.172 ( -1.305 5.441 -0.956) 5.677 15.197 ( -0.153 4.408 1.939) 4.818 15.497 ( -5.118 -4.494 -2.211) 7.161 15.534 ( -2.477 -6.558 -3.930) 8.037 15.864 ( 1.591 9.293 1.057) 9.488 15.902 ( 4.655 7.660 1.529) 9.093 16.056 ( 0.550 -8.435 -0.188) 8.455 16.066 ( 2.272 -6.990 0.628) 7.377 16.703 ( -5.364 7.253 -5.159) 10.392 16.798 ( -2.641 -1.515 -1.691) 3.483 17.181 ( 1.084 9.789 -0.996) 9.899 17.341 ( 0.453 -3.104 0.168) 3.141 17.396 ( 12.300 4.908 14.883) 19.922 17.497 ( 10.574 -2.512 10.825) 15.340 17.609 ( -4.887 0.564 -7.504) 8.973 17.683 ( -1.378 -5.643 -3.290) 6.676 17.958 ( -0.899 0.299 1.710) 1.955 18.036 ( 0.492 -7.052 5.381) 8.884 18.210 ( 1.119 2.728 -0.221) 2.957 18.266 ( 2.593 -3.242 1.110) 4.297 18.860 ( -0.894 3.248 -2.297) 4.077 18.907 ( 1.301 -1.585 1.329) 2.444 19.161 ( -9.011 6.008 -9.192) 14.205 19.252 ( -4.255 -2.306 -4.725) 6.764 19.380 ( -2.206 1.997 -4.559) 5.444 19.405 ( -0.552 -1.843 0.336) 1.953 19.591 ( -10.373 3.988 -8.618) 14.063 19.677 ( -11.217 -3.110 -7.434) 13.812 19.896 ( -1.950 1.814 0.908) 2.814 19.928 ( -0.760 2.357 1.759) 3.037 19.958 ( 3.955 0.412 3.910) 5.577 20.058 ( 4.849 -6.072 1.239) 7.868 20.338 ( 3.170 1.636 1.105) 3.734 20.390 ( 4.523 -3.886 4.557) 7.505 21.201 ( -10.761 10.164 -12.107) 19.123 21.360 ( -8.540 -6.565 -9.541) 14.389 21.620 ( 2.371 9.083 5.823) 11.047 21.785 ( 4.350 -7.943 6.055) 10.894 22.006 ( -1.079 0.728 -2.771) 3.061 22.033 ( 0.446 -1.749 -1.134) 2.132 22.109 ( 4.554 2.129 4.422) 6.695 22.181 ( 9.124 -5.018 8.508) 13.447 22.378 ( -1.781 3.136 -1.007) 3.744 22.424 ( -0.454 -1.166 -0.745) 1.457 22.715 ( 12.588 2.557 9.831) 16.175 22.779 ( 15.916 -4.042 12.258) 20.492 24.538 ( -15.881 15.994 -19.410) 29.745 24.781 ( -8.980 -5.329 -9.037) 13.810 25.191 ( 3.264 1.449 3.383) 4.920 25.368 ( 5.156 -9.732 8.360) 13.827 25.452 ( -1.361 -0.494 -0.388) 1.499 25.474 ( 1.349 -6.511 4.329) 7.934 25.843 ( -0.720 2.102 -1.579) 2.725 25.869 ( 0.845 -0.647 -1.424) 1.778 26.656 ( -8.811 4.791 -5.950) 11.661 26.740 ( -9.702 -3.880 -3.474) 11.012 26.949 ( 0.666 1.349 -0.055) 1.505 26.965 ( 5.266 0.571 2.390) 5.811 27.084 ( 5.840 4.037 3.161) 7.771 27.143 ( 10.148 -1.395 6.070) 11.907 27.510 ( 1.106 0.821 1.557) 2.079 27.530 ( 3.070 -1.386 3.499) 4.857 27.956 ( -2.259 2.455 -4.422) 5.540 27.998 ( -0.593 -1.341 0.031) 1.467 28.259 ( -0.559 -0.398 0.459) 0.825 28.299 ( 1.427 -3.455 2.914) 4.740 28.564 ( -15.952 2.170 -12.735) 20.527 28.642 ( -16.682 -5.996 -12.454) 21.664 28.902 ( -0.558 3.678 2.252) 4.348 28.941 ( -0.773 -0.070 -0.935) 1.215 29.043 ( 1.426 2.852 -0.957) 3.330 29.102 ( 0.181 -3.023 0.719) 3.112 29.361 ( 15.623 3.018 12.089) 19.983 29.442 ( 17.488 -5.019 11.090) 21.308 29.690 ( -4.162 3.296 2.131) 5.721 29.763 ( -0.121 -5.059 4.961) 7.087 29.815 ( 0.828 4.050 -1.719) 4.477 29.886 ( 3.031 -2.795 -2.825) 4.998 31.125 ( -6.374 2.786 -4.158) 8.104 31.170 ( -5.530 -2.144 -4.059) 7.187 31.543 ( 7.711 2.378 1.237) 8.164 31.595 ( 8.329 -2.658 1.343) 8.845 32.057 ( -3.384 3.370 -2.881) 5.578 32.072 ( -2.039 2.787 -3.158) 4.680 32.235 ( -2.463 -0.349 0.491) 2.535 32.257 ( -0.874 -2.024 -0.883) 2.375 32.633 ( 0.044 1.799 0.360) 1.835 32.655 ( 0.108 -0.367 4.829) 4.845 32.726 ( -1.533 2.451 -3.302) 4.389 32.796 ( 2.106 -4.272 -2.715) 5.482 32.974 ( 1.201 -0.556 -0.092) 1.327 33.011 ( 2.456 -3.574 4.552) 6.287 34.289 ( -2.803 6.523 -0.689) 7.133 34.382 ( 2.681 -3.620 2.377) 5.093 38.250 ( -0.815 1.537 0.907) 1.962 38.267 ( 0.393 -0.237 0.207) 0.503 38.616 ( -0.503 -2.545 -1.812) 3.164 38.631 ( -0.205 -3.824 2.872) 4.787 39.718 ( -4.682 5.597 -0.847) 7.346 39.777 ( -1.422 -0.550 0.221) 1.541 40.103 ( -2.244 9.463 0.063) 9.726 40.211 ( 3.395 -1.563 1.781) 4.140 40.945 ( -4.509 -0.586 -0.541) 4.579 40.976 ( -2.597 -3.780 -1.423) 4.802 41.737 ( 2.375 5.025 -1.785) 5.838 41.790 ( 5.658 -0.553 -2.856) 6.362 42.314 ( 1.462 1.300 -1.534) 2.486 42.337 ( 2.711 -1.025 -0.077) 2.899 43.026 ( -4.781 -4.728 4.092) 7.871 43.050 ( -2.583 -7.100 -0.726) 7.590 ======================= Grid point 145 (79/84) ======================= q-point: ( 0.25 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -13.420 26.754 -7.921) 30.961 2.431 ( -9.139 -0.061 -3.236) 9.695 2.507 ( 2.504 14.041 -9.146) 16.943 2.579 ( -3.239 -1.459 3.213) 4.790 2.706 ( -1.917 -5.736 4.176) 7.350 2.857 ( 3.073 -11.565 -4.258) 12.702 3.014 ( -14.966 1.695 3.436) 15.449 3.103 ( -11.436 -6.251 1.921) 13.174 3.192 ( -6.543 4.482 -5.116) 9.438 3.332 ( -5.568 6.006 -1.275) 8.288 3.352 ( -0.386 -5.538 -1.464) 5.741 3.450 ( -3.061 2.550 6.168) 7.342 3.594 ( -4.464 2.620 2.571) 5.780 3.665 ( -2.040 -5.938 1.494) 6.454 3.846 ( -9.151 1.000 -2.227) 9.471 3.910 ( -7.403 -5.924 0.644) 9.503 3.999 ( 6.699 3.338 -3.579) 8.296 4.090 ( 2.980 -6.658 2.630) 7.754 4.297 ( 2.197 3.429 -2.746) 4.912 4.364 ( 2.451 -4.394 -3.414) 6.081 4.394 ( -4.947 15.073 1.181) 15.908 4.591 ( -4.670 -4.833 0.286) 6.727 4.875 ( 2.824 5.796 -3.374) 7.277 5.048 ( -2.362 -4.620 2.752) 5.874 5.161 ( -3.563 5.293 -3.897) 7.476 5.271 ( -1.620 -3.424 -3.869) 5.415 5.393 ( 6.179 11.101 -4.185) 13.376 5.470 ( 9.060 4.755 -5.288) 11.518 5.609 ( -3.015 4.594 2.469) 6.024 5.646 ( 2.582 -0.733 3.847) 4.691 5.728 ( -1.078 -3.807 -2.466) 4.662 5.790 ( 2.564 -6.671 -4.291) 8.336 5.876 ( 4.770 0.839 7.865) 9.236 5.976 ( 2.885 -5.306 4.436) 7.493 6.062 ( 7.213 1.721 0.645) 7.444 6.102 ( 0.097 1.910 -2.978) 3.539 6.256 ( -0.764 -3.934 4.150) 5.769 6.375 ( -1.885 -8.873 3.378) 9.679 6.505 ( -3.567 2.092 2.029) 4.606 6.518 ( -1.398 -0.645 1.206) 1.956 6.627 ( -2.773 2.613 1.827) 4.225 6.701 ( -6.810 -6.557 3.591) 10.113 6.961 ( 0.378 -0.581 -2.638) 2.728 6.980 ( -1.569 -2.588 -0.419) 3.055 7.220 ( -1.148 5.840 -2.909) 6.625 7.351 ( 0.960 0.416 0.547) 1.181 7.391 ( -2.926 -7.226 0.284) 7.801 7.409 ( 6.144 -3.307 8.240) 10.798 7.719 ( -5.257 3.902 -5.449) 8.518 7.802 ( -0.699 -2.483 -4.071) 4.820 7.990 ( 0.318 8.272 -3.293) 8.909 8.165 ( 4.002 -7.184 -3.161) 8.810 8.590 ( 8.687 -2.841 5.296) 10.563 8.609 ( 8.014 -6.075 3.928) 10.796 8.836 ( -5.500 5.018 -3.043) 8.043 8.942 ( -2.741 -6.389 2.103) 7.263 9.180 ( 2.656 5.148 6.396) 8.629 9.216 ( 0.223 7.031 1.010) 7.107 9.380 ( 0.499 -2.358 2.417) 3.413 9.446 ( 2.344 -3.600 1.836) 4.672 9.654 ( 1.033 1.201 -1.000) 1.874 9.684 ( 2.117 0.155 -1.994) 2.913 9.841 ( -2.352 2.006 2.035) 3.701 9.925 ( 0.343 -4.066 -0.642) 4.131 10.360 ( 1.085 4.043 -1.603) 4.482 10.420 ( -2.727 -2.161 0.688) 3.547 10.476 ( 6.441 6.300 1.046) 9.071 10.604 ( 6.003 -6.305 -0.661) 8.731 10.860 ( 5.529 0.115 0.266) 5.536 10.884 ( 8.995 -2.274 -3.055) 9.768 11.218 ( 0.020 3.087 -4.162) 5.182 11.259 ( 1.288 -1.203 -1.894) 2.587 11.317 ( -2.337 3.159 2.584) 4.703 11.390 ( -1.969 -3.990 1.170) 4.600 11.826 ( -7.544 4.166 -1.001) 8.676 11.927 ( -4.477 -5.801 -1.118) 7.412 12.229 ( -1.774 6.051 -1.041) 6.391 12.359 ( -4.373 -5.686 2.373) 7.555 12.464 ( -4.757 3.340 -1.086) 5.914 12.497 ( -3.398 0.617 0.718) 3.527 12.736 ( 1.085 2.683 -1.230) 3.144 12.768 ( 3.310 -0.042 -0.122) 3.313 12.969 ( -4.632 1.195 -0.481) 4.807 13.020 ( -2.572 -1.067 0.825) 2.904 13.203 ( 1.338 2.303 0.232) 2.673 13.257 ( 2.379 -3.742 -1.242) 4.605 13.647 ( 3.689 6.956 0.988) 7.935 13.771 ( 3.728 -4.280 2.971) 6.407 13.993 ( -1.620 2.536 0.844) 3.126 14.078 ( -0.565 -6.660 0.803) 6.732 14.634 ( 1.938 4.305 1.630) 4.995 14.700 ( 1.910 -2.447 1.791) 3.584 14.931 ( 0.683 3.129 0.975) 3.348 15.007 ( -0.117 -3.715 0.747) 3.791 15.152 ( -0.507 5.535 -0.177) 5.561 15.250 ( 0.318 1.319 6.307) 6.452 15.377 ( -5.410 -4.995 -3.088) 7.985 15.445 ( -3.024 -6.533 -0.495) 7.216 15.866 ( -0.093 12.634 -2.644) 12.908 15.997 ( 4.495 8.863 2.084) 10.154 16.066 ( 0.972 -9.713 0.328) 9.767 16.149 ( 4.829 -7.258 2.169) 8.983 16.605 ( -0.910 2.260 -2.330) 3.372 16.666 ( -4.984 -3.843 -6.096) 8.762 17.255 ( 3.675 10.135 2.742) 11.124 17.343 ( -2.139 2.152 -3.413) 4.567 17.438 ( -0.925 -2.766 -4.332) 5.223 17.553 ( 0.064 -8.414 -4.022) 9.326 17.816 ( 9.282 11.485 15.180) 21.178 17.969 ( 1.294 2.759 4.562) 5.486 17.989 ( 15.216 -6.495 16.115) 23.096 18.086 ( 1.770 -6.110 5.991) 8.739 18.220 ( -1.356 0.430 -3.421) 3.705 18.281 ( -2.157 -4.727 -2.683) 5.847 18.698 ( -11.057 4.573 -11.965) 16.922 18.769 ( -7.942 -1.159 -9.321) 12.300 18.984 ( -2.263 2.510 -4.054) 5.278 19.065 ( -0.576 -4.163 -2.061) 4.681 19.299 ( -1.520 5.683 -0.562) 5.910 19.366 ( -3.995 -2.005 -3.680) 5.790 19.408 ( -3.528 2.181 -4.900) 6.419 19.493 ( -4.290 -4.826 -2.857) 7.061 19.863 ( -1.826 3.870 -0.192) 4.283 19.931 ( -0.969 -2.310 0.261) 2.519 20.055 ( 2.736 4.014 4.240) 6.448 20.156 ( 2.639 -5.191 4.937) 7.634 20.409 ( 2.435 2.818 0.811) 3.812 20.477 ( 0.930 -4.344 1.586) 4.717 20.966 ( -4.785 10.428 -6.050) 12.971 21.135 ( -5.444 -7.612 -4.834) 10.533 21.694 ( 0.488 7.568 1.050) 7.656 21.828 ( 0.313 -6.725 -0.238) 6.737 21.978 ( 0.317 2.489 -1.441) 2.894 22.041 ( 0.895 -3.852 -0.585) 3.997 22.214 ( 3.493 5.903 0.985) 6.929 22.331 ( 3.354 -5.788 -0.533) 6.711 22.383 ( 1.549 3.625 1.080) 4.087 22.452 ( 2.889 -3.962 0.985) 5.001 23.100 ( 12.048 6.585 9.755) 16.843 23.239 ( 15.889 -7.896 11.123) 20.941 24.084 ( -9.965 15.672 -12.038) 22.132 24.357 ( -14.607 -12.761 -13.884) 23.853 25.359 ( 2.879 10.958 4.686) 12.261 25.413 ( 0.118 0.707 1.758) 1.899 25.423 ( -1.890 0.116 -0.464) 1.950 25.622 ( 0.862 -13.405 7.206) 15.243 25.801 ( -0.622 2.135 -1.792) 2.856 25.857 ( 1.276 -3.989 -0.922) 4.288 26.524 ( -3.357 3.041 -0.891) 4.616 26.598 ( -5.333 -4.669 -0.928) 7.148 26.957 ( 1.927 2.266 0.505) 3.017 27.010 ( 2.013 -3.556 -1.318) 4.294 27.202 ( 2.612 7.785 -0.139) 8.213 27.292 ( 4.666 -1.049 -1.585) 5.038 27.569 ( -0.444 5.178 4.210) 6.688 27.655 ( 2.574 -2.803 3.604) 5.241 27.892 ( 2.594 0.939 -1.629) 3.204 27.949 ( 1.082 -5.205 -1.613) 5.555 28.235 ( -5.428 1.821 -3.335) 6.626 28.284 ( -6.550 -3.745 -4.842) 8.965 28.328 ( -3.346 2.951 3.923) 5.941 28.424 ( -1.034 -4.660 7.442) 8.841 28.910 ( -1.486 2.699 1.817) 3.577 28.920 ( -1.883 1.605 0.328) 2.496 29.055 ( 1.729 2.781 -1.776) 3.725 29.131 ( 0.924 -4.360 -0.051) 4.457 29.551 ( -0.049 3.129 0.130) 3.132 29.579 ( 2.881 -0.210 1.530) 3.269 29.707 ( -3.391 3.444 0.112) 4.834 29.792 ( -3.080 -3.805 -1.749) 5.199 29.970 ( 9.280 2.478 10.096) 13.935 30.057 ( 9.766 -6.280 13.018) 17.443 30.971 ( -4.179 5.094 -5.148) 8.362 31.054 ( -1.484 -3.456 -3.398) 5.069 31.642 ( 7.075 1.433 -4.964) 8.760 31.683 ( 6.982 -2.419 -4.080) 8.441 31.970 ( -1.487 3.393 -2.447) 4.440 32.002 ( -2.297 0.886 -2.421) 3.452 32.179 ( -3.806 1.019 -1.698) 4.290 32.225 ( -1.571 -3.161 -0.652) 3.590 32.617 ( 0.347 3.669 -3.869) 5.343 32.660 ( -1.762 1.941 1.192) 2.879 32.717 ( 0.597 -1.763 -0.749) 2.006 32.773 ( -1.018 -7.607 -1.892) 7.905 33.053 ( 3.493 4.055 6.416) 8.355 33.138 ( 2.704 -4.581 9.311) 10.723 34.211 ( -2.353 10.963 -6.576) 12.999 34.396 ( 0.341 -9.225 -4.978) 10.488 38.271 ( -0.603 1.609 4.037) 4.388 38.290 ( 0.166 -0.648 2.459) 2.548 38.609 ( 0.024 0.854 1.625) 1.836 38.685 ( -0.196 -6.037 6.625) 8.965 39.620 ( -6.232 7.348 -2.765) 10.024 39.723 ( -4.731 -3.352 -2.146) 6.182 40.078 ( 0.261 11.709 -2.161) 11.910 40.238 ( 0.442 -4.679 -2.776) 5.458 40.861 ( -3.277 0.322 -2.020) 3.863 40.910 ( -2.507 -4.599 -2.152) 5.663 41.756 ( 3.750 6.697 -1.546) 7.830 41.843 ( 5.499 -2.209 -1.533) 6.122 42.321 ( 2.716 3.118 -2.205) 4.686 42.376 ( 3.426 -2.489 -1.049) 4.363 42.987 ( -4.178 -3.419 1.171) 5.524 43.012 ( -5.600 -5.909 3.499) 8.861 ======================= Grid point 146 (80/84) ======================= q-point: ( 0.38 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 4.436 18.028 5.517) 19.368 2.259 ( -4.108 -11.895 1.062) 12.629 2.510 ( 5.733 14.966 -1.390) 16.087 2.589 ( -5.303 1.616 5.207) 7.605 2.671 ( -4.694 2.829 1.881) 5.794 2.839 ( -3.271 -3.954 -1.572) 5.368 2.921 ( -8.995 4.812 1.657) 10.335 2.973 ( 1.173 -6.611 -2.661) 7.222 3.069 ( -4.434 -3.387 0.130) 5.581 3.165 ( -6.389 -7.860 -4.762) 11.192 3.330 ( -2.616 6.075 -6.106) 9.002 3.439 ( -8.355 -0.226 -0.695) 8.387 3.543 ( -3.030 5.342 1.799) 6.399 3.636 ( -4.406 -3.251 -0.505) 5.499 3.725 ( -3.293 -1.689 0.165) 3.705 3.851 ( -3.388 -9.592 3.207) 10.666 4.079 ( 5.395 2.988 -2.285) 6.577 4.164 ( 2.572 -5.730 -0.843) 6.337 4.287 ( 2.262 0.606 -2.516) 3.437 4.331 ( 2.494 1.387 -0.915) 2.997 4.400 ( -1.045 10.089 1.713) 10.286 4.537 ( -3.067 -2.040 -0.246) 3.692 4.817 ( -5.367 5.238 -2.067) 7.779 5.013 ( -2.698 -8.833 -0.966) 9.286 5.088 ( 0.763 6.151 -5.081) 8.014 5.232 ( -0.594 -7.539 -2.167) 7.867 5.411 ( 3.425 8.527 -8.859) 12.764 5.498 ( 2.389 0.765 -2.935) 3.861 5.608 ( 3.035 5.101 0.047) 5.936 5.628 ( 0.218 -1.045 -4.422) 4.549 5.726 ( 3.307 -2.139 0.343) 3.953 5.790 ( -1.478 -9.773 2.073) 10.100 6.002 ( 1.936 4.053 3.530) 5.713 6.058 ( -4.671 7.696 0.516) 9.018 6.071 ( -2.820 1.740 5.557) 6.470 6.177 ( 4.941 2.241 -2.521) 5.983 6.272 ( 6.544 -6.379 -3.119) 9.656 6.294 ( -11.404 -10.597 0.642) 15.581 6.479 ( -0.419 4.611 2.059) 5.067 6.485 ( -0.547 1.826 0.369) 1.941 6.628 ( -3.572 -0.098 4.631) 5.849 6.664 ( -1.354 -1.482 2.978) 3.591 6.864 ( -4.350 -1.803 -4.742) 6.683 6.905 ( -3.859 -4.423 -4.079) 7.148 7.241 ( -0.425 2.644 -2.351) 3.563 7.296 ( -3.442 -1.171 -5.802) 6.847 7.421 ( -1.384 -1.154 2.253) 2.885 7.457 ( 2.154 -6.315 7.363) 9.936 7.775 ( 7.935 2.287 6.123) 10.280 7.845 ( 6.571 -3.798 3.127) 8.209 8.031 ( 5.163 11.379 3.542) 12.987 8.215 ( 4.563 -6.858 0.442) 8.250 8.701 ( -0.382 1.863 -0.285) 1.923 8.749 ( -1.136 4.263 -3.098) 5.391 8.794 ( 5.692 -0.906 3.640) 6.817 8.927 ( -3.335 -8.171 1.117) 8.896 9.233 ( 1.611 5.154 4.542) 7.056 9.284 ( 0.518 2.541 4.031) 4.793 9.406 ( 0.246 1.434 2.598) 2.978 9.497 ( 2.066 -5.186 2.470) 6.104 9.689 ( 2.436 2.224 3.001) 4.459 9.765 ( 5.198 -4.848 5.487) 8.980 9.825 ( -0.769 4.756 0.089) 4.819 9.922 ( 0.388 -3.791 -0.361) 3.827 10.300 ( -2.580 2.713 -5.505) 6.657 10.351 ( -4.714 -2.988 -4.361) 7.083 10.571 ( 1.926 6.343 1.330) 6.761 10.657 ( 3.070 -2.383 -1.336) 4.110 10.914 ( 5.534 2.833 -2.733) 6.791 10.989 ( 10.031 -3.450 -3.269) 11.100 11.178 ( -0.173 5.302 -0.723) 5.354 11.244 ( 0.593 -1.481 -2.817) 3.238 11.276 ( -5.506 3.795 -1.047) 6.769 11.351 ( -4.180 -3.543 -0.895) 5.552 11.734 ( -3.739 2.318 0.526) 4.430 11.844 ( -4.053 -8.101 -1.743) 9.224 12.241 ( 2.596 1.028 2.213) 3.563 12.316 ( -1.955 -6.125 -0.092) 6.430 12.388 ( -4.791 3.837 -0.007) 6.138 12.441 ( -4.711 -1.567 0.176) 4.968 12.758 ( 2.981 2.595 -0.022) 3.952 12.806 ( 1.982 -1.781 -0.409) 2.696 12.931 ( -1.555 4.072 1.320) 4.554 12.992 ( -2.476 -1.137 0.236) 2.735 13.246 ( 1.598 2.813 3.162) 4.524 13.291 ( 2.657 -1.981 0.719) 3.391 13.708 ( 3.403 6.090 -0.081) 6.976 13.812 ( 0.001 -3.185 -1.086) 3.365 13.977 ( -2.469 3.777 1.768) 4.847 14.073 ( -0.786 -5.909 0.520) 5.984 14.640 ( -1.643 3.165 -1.757) 3.975 14.680 ( -2.262 -1.022 -2.739) 3.697 14.979 ( 1.513 2.273 2.529) 3.722 15.014 ( -0.461 -0.215 1.607) 1.686 15.134 ( -0.861 3.944 -0.770) 4.110 15.253 ( -4.263 -7.246 -2.549) 8.785 15.385 ( 3.644 5.884 9.311) 11.601 15.518 ( 4.834 -6.649 7.900) 11.401 15.840 ( 1.370 11.639 -1.148) 11.775 16.054 ( -0.253 2.732 -1.833) 3.299 16.075 ( 1.212 -6.779 0.318) 6.894 16.191 ( -0.264 -6.130 -1.707) 6.369 16.564 ( 0.145 0.992 -1.743) 2.011 16.621 ( 2.380 -4.735 0.174) 5.302 17.258 ( -1.198 5.396 -2.616) 6.115 17.291 ( -0.807 5.002 -1.405) 5.258 17.452 ( 3.639 -2.058 -0.206) 4.186 17.539 ( 1.259 -6.505 -2.099) 6.950 17.719 ( -14.083 11.211 -11.542) 21.383 17.930 ( -15.198 -8.893 -15.305) 23.330 17.998 ( -4.303 2.337 -0.656) 4.941 18.060 ( -0.859 -2.844 3.234) 4.392 18.253 ( -0.074 -0.202 -1.015) 1.037 18.296 ( -0.640 -4.804 -0.544) 4.877 18.826 ( 14.328 1.134 16.560) 21.927 18.857 ( 16.259 -1.306 14.980) 22.146 18.979 ( 3.357 6.059 1.388) 7.065 19.076 ( 1.098 -3.641 0.353) 3.819 19.252 ( -1.384 2.669 -3.945) 4.960 19.303 ( 1.054 -1.960 -1.345) 2.600 19.361 ( 2.166 3.379 3.233) 5.154 19.450 ( -0.366 -4.648 2.406) 5.246 19.847 ( -0.261 2.921 0.095) 2.934 19.908 ( -1.184 -3.094 -1.379) 3.589 20.141 ( 0.234 5.848 5.403) 7.965 20.240 ( 1.403 -2.748 3.459) 4.635 20.388 ( -2.741 1.154 -4.174) 5.125 20.447 ( -2.832 -4.663 -3.675) 6.578 20.934 ( 4.231 11.351 2.245) 12.320 21.120 ( 4.330 -8.120 4.433) 10.214 21.671 ( -3.151 9.241 -2.924) 10.192 21.826 ( -0.079 -7.282 -0.700) 7.316 21.972 ( 0.827 2.264 -0.910) 2.577 22.032 ( -0.338 -3.913 -1.743) 4.297 22.203 ( -2.918 5.853 -5.455) 8.516 22.318 ( -2.107 -5.659 -6.723) 9.037 22.412 ( 0.936 2.622 1.115) 2.999 22.462 ( -0.071 -2.359 -0.872) 2.516 22.975 ( -12.573 5.929 -16.033) 21.220 23.128 ( -15.271 -9.698 -20.453) 27.305 24.240 ( 17.540 12.046 16.917) 27.184 24.427 ( 16.455 -8.309 17.107) 25.149 25.329 ( -5.683 10.880 -3.999) 12.910 25.390 ( -1.411 -0.085 -0.606) 1.538 25.427 ( -1.557 1.883 0.466) 2.488 25.568 ( -8.513 -7.103 -3.854) 11.738 25.867 ( 5.335 -2.058 5.254) 7.766 25.923 ( 3.561 -6.753 4.138) 8.684 26.505 ( -0.585 1.819 0.695) 2.033 26.558 ( -1.548 -4.222 2.182) 4.999 26.988 ( 0.180 2.027 -0.639) 2.133 27.030 ( 1.434 -2.291 -2.426) 3.631 27.153 ( -0.628 5.477 -3.857) 6.728 27.248 ( -0.654 -3.859 -6.007) 7.170 27.528 ( -3.835 4.616 -1.492) 6.184 27.610 ( -3.986 -3.680 -4.392) 6.980 28.019 ( 6.760 4.965 6.396) 10.548 28.132 ( 5.032 -6.149 5.068) 9.424 28.161 ( 0.943 3.521 2.607) 4.481 28.246 ( 4.975 -6.419 6.264) 10.256 28.417 ( 0.725 5.630 9.325) 10.917 28.503 ( -0.407 -1.435 7.158) 7.312 28.894 ( -1.704 1.555 0.018) 2.307 28.906 ( -2.607 1.359 1.745) 3.419 29.038 ( 0.295 2.191 -3.009) 3.734 29.101 ( -1.753 -3.506 -3.343) 5.152 29.543 ( 0.253 6.145 -0.924) 6.220 29.629 ( 1.382 -0.695 0.006) 1.547 29.702 ( -1.997 -1.296 0.691) 2.479 29.730 ( 3.900 -4.588 1.390) 6.180 30.030 ( -10.280 5.848 -2.677) 12.126 30.149 ( -8.921 -6.843 -0.699) 11.265 31.025 ( 9.839 4.305 7.705) 13.218 31.103 ( 7.980 -3.495 4.411) 9.765 31.657 ( 6.498 3.218 -7.888) 10.715 31.724 ( 6.642 -3.700 -5.663) 9.481 31.906 ( -3.326 2.879 -2.845) 5.239 31.939 ( -2.540 -0.950 -1.367) 3.037 32.117 ( -2.284 3.217 -0.920) 4.051 32.191 ( -2.941 -4.230 -1.078) 5.264 32.584 ( 1.108 4.173 -2.022) 4.768 32.650 ( -1.453 0.739 0.666) 1.761 32.694 ( -2.135 -1.750 -1.413) 3.101 32.723 ( 0.624 -8.358 -4.459) 9.493 33.215 ( 3.676 5.655 11.017) 12.918 33.314 ( 2.352 -4.663 13.135) 14.136 34.047 ( -3.887 11.812 -12.345) 17.522 34.252 ( -3.946 -10.476 -13.584) 17.603 38.314 ( -0.749 -0.292 3.606) 3.695 38.328 ( 0.326 -0.956 2.799) 2.975 38.672 ( 1.503 5.397 7.290) 9.194 38.796 ( 0.616 -6.155 10.551) 12.231 39.461 ( -6.096 8.022 -8.158) 12.964 39.586 ( -5.287 -4.562 -7.905) 10.548 40.052 ( 0.291 8.352 -2.408) 8.697 40.163 ( -1.890 -3.097 -5.896) 6.922 40.827 ( -0.158 -0.063 0.347) 0.386 40.875 ( 0.642 -5.099 -1.340) 5.311 41.808 ( 3.246 7.383 1.385) 8.183 41.904 ( 4.471 -2.565 -0.717) 5.204 42.336 ( 2.935 3.853 -1.983) 5.233 42.402 ( 2.719 -2.736 -2.315) 4.499 42.953 ( -3.442 -2.701 2.408) 4.994 42.973 ( -5.022 -4.604 3.029) 7.456 ======================= Grid point 147 (81/84) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 15.106 7.604 9.560) 19.427 2.391 ( 3.913 -2.951 1.721) 5.195 2.495 ( -1.777 5.297 4.397) 7.110 2.603 ( 1.316 2.974 0.140) 3.255 2.694 ( 1.403 -0.554 -2.704) 3.096 2.742 ( -4.904 7.639 -5.559) 10.645 2.822 ( 2.482 6.412 6.772) 9.651 2.961 ( -5.313 -4.541 -4.764) 8.458 3.027 ( -1.918 -5.225 -0.184) 5.569 3.054 ( 0.073 -6.887 -1.165) 6.985 3.238 ( -4.089 -1.276 -0.583) 4.323 3.263 ( -3.257 -2.808 -1.513) 4.558 3.530 ( -0.970 4.346 1.160) 4.601 3.576 ( 0.083 2.430 -2.895) 3.781 3.758 ( 1.748 -4.055 5.522) 7.070 3.854 ( -1.482 -10.280 0.689) 10.410 4.049 ( -1.745 1.589 -4.009) 4.652 4.119 ( 0.273 -5.533 -6.490) 8.533 4.323 ( 3.080 3.444 1.425) 4.835 4.384 ( 1.309 9.747 -2.984) 10.277 4.401 ( 1.909 -3.982 3.207) 5.458 4.496 ( -0.844 -2.841 -3.581) 4.648 4.771 ( -2.078 9.961 6.351) 11.994 4.929 ( -2.860 5.010 -6.252) 8.507 5.070 ( 2.190 -8.813 0.313) 9.087 5.155 ( -3.768 -8.682 -5.131) 10.766 5.363 ( 1.300 1.224 -1.956) 2.648 5.415 ( 0.776 -3.078 -6.657) 7.375 5.676 ( -0.366 1.057 3.452) 3.628 5.712 ( 8.302 7.110 3.786) 11.568 5.729 ( -2.764 -2.836 -2.416) 4.639 5.811 ( 0.852 0.207 -0.807) 1.192 5.881 ( -6.899 4.070 0.956) 8.067 6.000 ( -7.322 -6.316 -6.941) 11.903 6.098 ( -1.468 0.111 6.873) 7.029 6.149 ( -2.564 -3.859 6.393) 7.895 6.252 ( 4.877 1.459 -6.182) 8.008 6.305 ( 6.458 -1.897 -7.135) 9.809 6.553 ( 2.324 2.531 5.890) 6.819 6.586 ( 3.311 0.869 5.745) 6.688 6.639 ( -2.854 2.572 2.605) 4.642 6.687 ( 0.593 1.137 2.309) 2.641 6.774 ( -1.307 -0.587 -1.900) 2.380 6.828 ( 0.417 -3.963 -3.997) 5.645 7.096 ( -6.600 1.767 -4.924) 8.422 7.117 ( -2.335 -0.742 -6.219) 6.684 7.567 ( 2.304 1.060 7.055) 7.497 7.609 ( 3.767 -3.082 4.327) 6.513 7.915 ( 4.526 3.902 2.893) 6.640 7.965 ( 2.857 -1.172 -0.206) 3.095 8.177 ( 2.724 3.782 6.471) 7.975 8.260 ( -0.068 -4.641 -0.871) 4.723 8.634 ( -3.164 3.017 -0.607) 4.413 8.668 ( -2.871 2.154 -3.829) 5.249 8.844 ( -0.503 -2.150 0.896) 2.384 8.874 ( -0.748 -2.936 -2.064) 3.667 9.301 ( -0.503 6.756 3.168) 7.479 9.336 ( 1.023 1.696 0.842) 2.152 9.512 ( 4.707 0.171 8.088) 9.360 9.584 ( 1.111 -5.505 4.105) 6.956 9.715 ( -2.426 2.024 0.265) 3.170 9.761 ( -4.035 -2.176 -0.629) 4.627 9.972 ( 6.184 -0.872 5.577) 8.373 9.985 ( 8.615 -2.857 4.276) 10.033 10.155 ( -6.263 1.762 -8.725) 10.884 10.170 ( -6.384 -0.667 -8.158) 10.380 10.573 ( -4.275 5.462 3.448) 7.746 10.654 ( 1.804 -1.844 -3.376) 4.249 11.005 ( 6.696 2.867 2.015) 7.557 11.081 ( 0.286 -4.667 0.435) 4.696 11.109 ( -5.352 3.192 -5.184) 8.105 11.161 ( -4.675 -0.838 -3.309) 5.788 11.214 ( -0.686 6.257 3.869) 7.388 11.307 ( 2.171 -1.454 -3.073) 4.034 11.732 ( 0.102 -1.747 1.701) 2.440 11.794 ( 3.301 -6.964 -3.681) 8.541 12.290 ( -6.513 -0.671 3.089) 7.239 12.299 ( -3.288 -0.968 4.125) 5.363 12.368 ( 5.603 -0.911 -2.294) 6.123 12.398 ( 4.162 -2.955 -3.076) 5.960 12.798 ( 0.461 0.871 0.560) 1.134 12.809 ( -0.649 -0.136 -0.407) 0.778 12.942 ( 0.902 1.610 1.146) 2.173 12.963 ( -0.378 -0.075 -0.672) 0.775 13.307 ( -0.268 3.553 3.498) 4.993 13.338 ( 2.148 0.346 0.499) 2.232 13.730 ( 1.098 0.282 -0.976) 1.495 13.755 ( -2.756 -1.827 -3.001) 4.466 13.996 ( -0.543 5.668 4.907) 7.517 14.068 ( -0.268 -0.966 -1.005) 1.419 14.582 ( -1.513 1.584 -0.602) 2.272 14.608 ( -2.086 -0.968 -2.549) 3.433 15.015 ( -0.546 1.923 2.268) 3.023 15.038 ( 0.892 -0.066 0.705) 1.139 15.136 ( 1.266 2.392 0.922) 2.859 15.177 ( -1.774 -1.779 -2.322) 3.421 15.578 ( 4.488 4.865 8.912) 11.101 15.668 ( 2.438 -1.440 2.517) 3.788 15.875 ( 1.630 1.197 2.474) 3.195 15.962 ( -3.460 -3.796 -4.861) 7.072 16.096 ( 0.988 -0.077 0.505) 1.112 16.137 ( -2.347 -3.123 -2.397) 4.583 16.593 ( 2.491 0.266 1.416) 2.877 16.638 ( 0.254 -4.305 -2.220) 4.850 17.216 ( -1.482 4.176 -1.357) 4.634 17.238 ( -2.056 5.126 -3.734) 6.667 17.357 ( -2.364 0.341 -0.820) 2.525 17.462 ( -5.309 -6.727 -8.132) 11.814 17.611 ( -0.131 2.717 1.662) 3.188 17.660 ( -0.115 -1.730 -2.453) 3.003 18.005 ( 1.848 2.676 4.811) 5.806 18.103 ( -3.278 -6.830 0.859) 7.624 18.172 ( 0.098 2.648 -2.316) 3.519 18.236 ( -1.975 -4.346 -4.048) 6.258 18.959 ( 0.800 3.070 1.536) 3.525 18.984 ( -1.980 0.652 -0.706) 2.201 19.127 ( 3.554 3.914 2.935) 6.047 19.183 ( -0.587 -0.012 -2.053) 2.135 19.241 ( 2.542 -1.371 1.984) 3.503 19.302 ( 1.346 -5.945 -3.257) 6.911 19.646 ( 12.030 1.725 16.125) 20.192 19.674 ( 12.000 -1.658 14.999) 19.280 19.844 ( -0.800 0.230 -1.428) 1.653 19.857 ( -2.925 -0.942 -3.763) 4.858 20.152 ( -5.434 7.411 1.141) 9.260 20.243 ( -2.200 4.630 -7.920) 9.434 20.288 ( -2.010 -4.765 2.349) 5.680 20.349 ( -0.208 -5.447 -4.345) 6.971 21.153 ( 13.955 13.451 11.494) 22.534 21.380 ( 12.901 -7.751 12.244) 19.402 21.454 ( -11.657 12.566 -11.250) 20.503 21.719 ( -11.962 -12.426 -11.734) 20.861 21.961 ( -1.564 0.064 -2.836) 3.239 21.972 ( -0.789 -1.056 -2.886) 3.173 22.061 ( -1.603 0.559 -2.984) 3.433 22.094 ( -5.728 -2.375 -7.037) 9.379 22.453 ( 1.302 2.339 2.428) 3.614 22.479 ( 0.297 0.034 0.674) 0.738 22.708 ( -3.739 -0.747 -4.996) 6.285 22.748 ( -6.443 -4.506 -8.715) 11.738 24.710 ( 15.611 10.391 14.181) 23.511 24.835 ( 5.492 -2.438 6.010) 8.499 25.173 ( -1.458 6.465 -0.991) 6.701 25.285 ( -9.775 -4.736 -7.491) 13.195 25.419 ( -0.019 0.135 0.339) 0.366 25.428 ( -1.555 -0.801 -0.865) 1.951 25.996 ( 2.160 -4.505 3.578) 6.145 26.006 ( 1.014 -5.327 2.486) 5.966 26.533 ( 2.940 2.167 2.270) 4.300 26.572 ( -0.898 -1.736 0.342) 1.984 26.904 ( -2.503 0.061 -4.201) 4.890 26.944 ( -1.916 -3.225 -6.216) 7.260 27.189 ( 0.564 0.477 2.683) 2.782 27.214 ( -0.073 -1.662 0.324) 1.695 27.476 ( -0.925 2.076 -0.202) 2.282 27.515 ( -1.576 -1.756 -3.368) 4.112 28.109 ( 0.386 1.613 2.331) 2.861 28.121 ( -1.213 0.766 1.091) 1.802 28.322 ( 3.347 2.583 4.551) 6.211 28.370 ( 0.606 -1.914 0.672) 2.118 28.606 ( 5.991 3.367 9.852) 12.012 28.653 ( 5.311 -1.243 6.204) 8.260 28.866 ( -2.544 1.516 -0.349) 2.982 28.873 ( -0.702 1.327 -0.812) 1.706 29.014 ( 0.777 0.448 -1.225) 1.518 29.034 ( -1.168 -1.144 -2.765) 3.212 29.554 ( -0.260 2.168 2.335) 3.197 29.608 ( -1.025 -3.105 -1.980) 3.823 29.740 ( 3.046 6.398 0.267) 7.091 29.754 ( -7.814 6.138 -2.112) 10.158 29.876 ( 6.837 -6.987 0.586) 9.793 29.921 ( -11.801 -10.026 -4.326) 16.078 31.278 ( 6.276 3.961 9.835) 12.321 31.335 ( 6.420 -2.012 11.143) 13.016 31.552 ( -3.389 4.450 -11.663) 12.935 31.633 ( -4.554 -3.910 -11.998) 13.416 31.919 ( 3.875 2.320 3.062) 5.457 31.953 ( 2.130 -1.177 1.111) 2.675 32.069 ( -0.412 0.682 -1.742) 1.916 32.095 ( -4.167 -1.911 -3.724) 5.906 32.595 ( -1.495 1.299 1.181) 2.306 32.629 ( -2.851 -1.676 0.270) 3.318 32.640 ( 0.856 0.154 -0.881) 1.237 32.702 ( 3.182 -6.037 -4.278) 8.054 33.426 ( 3.044 6.595 14.113) 15.873 33.528 ( 2.160 -3.902 13.928) 14.624 33.821 ( -3.781 9.090 -11.808) 15.374 33.982 ( -4.719 -7.927 -17.226) 19.541 38.340 ( -0.339 -1.024 2.016) 2.286 38.356 ( 0.518 -2.344 0.745) 2.514 38.824 ( 0.624 8.574 12.402) 15.091 38.940 ( 1.261 -1.608 7.999) 8.256 39.287 ( -0.982 4.429 -7.753) 8.983 39.402 ( -0.629 -5.761 -12.369) 13.659 40.034 ( -0.614 4.245 0.034) 4.289 40.073 ( -1.371 0.186 -3.820) 4.063 40.844 ( 0.260 -1.196 1.297) 1.783 40.876 ( 1.207 -4.574 -1.507) 4.965 41.866 ( 0.482 6.264 2.730) 6.850 41.933 ( 1.967 -0.672 -2.759) 3.455 42.355 ( 1.766 2.276 -0.634) 2.950 42.391 ( 0.555 -1.233 -3.242) 3.512 42.934 ( -4.754 -1.535 4.202) 6.528 42.970 ( 1.206 -5.101 0.919) 5.321 ======================= Grid point 148 (82/84) ======================= q-point: (-0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -11.737 12.464 -10.085) 19.870 2.332 ( -4.985 -1.312 -4.857) 7.083 2.506 ( -10.723 11.797 -3.025) 16.227 2.641 ( 7.528 2.457 0.042) 7.919 2.721 ( 6.707 -2.268 2.721) 7.585 2.807 ( 0.052 -12.593 0.099) 12.593 2.875 ( 8.583 8.093 -1.416) 11.881 2.993 ( 3.381 5.904 1.656) 7.002 3.043 ( 8.889 -9.146 2.760) 13.049 3.108 ( 4.637 -4.251 0.687) 6.328 3.214 ( 1.573 4.840 3.946) 6.440 3.386 ( 11.026 -8.618 4.125) 14.590 3.562 ( 2.201 5.484 0.172) 5.911 3.607 ( 7.207 2.672 1.125) 7.768 3.775 ( -2.152 -2.453 -3.833) 5.034 3.870 ( 2.509 -7.745 3.191) 8.744 4.017 ( -2.569 -0.503 1.755) 3.152 4.103 ( 3.325 -6.651 0.718) 7.470 4.317 ( -1.923 4.586 -5.451) 7.379 4.392 ( 1.845 3.438 -2.528) 4.649 4.414 ( 0.837 0.042 -1.699) 1.894 4.495 ( 3.223 -2.125 3.249) 5.046 4.832 ( 0.077 6.471 -2.483) 6.932 4.897 ( 3.051 10.980 10.007) 15.167 5.021 ( -6.463 -7.499 -3.108) 10.376 5.139 ( 0.507 -11.218 5.291) 12.413 5.351 ( 1.803 3.655 -2.018) 4.548 5.444 ( 5.668 -5.647 0.061) 8.001 5.596 ( -9.159 4.285 -2.853) 10.507 5.653 ( -4.565 -0.461 -0.916) 4.679 5.736 ( -0.879 1.462 -0.918) 1.937 5.831 ( 0.409 -1.717 0.580) 1.858 5.934 ( 2.753 2.037 5.751) 6.693 5.988 ( 2.796 -3.270 6.442) 7.746 6.133 ( -2.624 1.778 3.240) 4.532 6.178 ( -2.711 -1.147 2.811) 4.070 6.242 ( 7.852 1.714 -7.975) 11.322 6.342 ( 11.115 -3.332 -4.029) 12.283 6.546 ( -4.712 0.413 -2.993) 5.598 6.549 ( -4.695 0.850 -3.999) 6.225 6.674 ( 0.688 2.108 3.048) 3.770 6.720 ( 3.117 3.730 -3.190) 5.814 6.807 ( 4.093 -4.527 3.210) 6.896 6.840 ( 4.179 -2.704 -1.619) 5.234 7.083 ( 1.908 2.238 7.899) 8.429 7.142 ( 6.079 -2.867 5.856) 8.914 7.577 ( -4.234 1.126 -5.436) 6.982 7.605 ( -2.008 -1.572 -4.606) 5.265 7.862 ( -7.336 4.307 -5.123) 9.930 7.925 ( -4.414 -2.385 -2.876) 5.783 8.140 ( -8.157 4.259 -3.942) 10.011 8.241 ( -3.110 -4.676 -1.227) 5.748 8.618 ( -1.208 4.009 3.955) 5.759 8.693 ( 3.042 -1.439 3.635) 4.953 8.827 ( -0.854 2.028 -0.115) 2.203 8.917 ( 5.251 -3.837 1.581) 6.693 9.286 ( -3.070 5.380 0.428) 6.209 9.356 ( 0.678 0.543 -1.654) 1.868 9.500 ( -5.326 0.908 -5.488) 7.701 9.581 ( -4.604 -6.772 -4.642) 9.413 9.724 ( 2.281 4.989 4.844) 7.319 9.787 ( 1.180 0.224 3.499) 3.699 9.912 ( -6.831 -2.007 -4.767) 8.568 9.943 ( -6.066 -4.028 -9.912) 12.299 10.156 ( 4.530 2.577 6.810) 8.576 10.217 ( 7.663 -3.390 7.241) 11.075 10.572 ( -3.885 6.245 5.724) 9.320 10.648 ( 1.726 -1.159 -3.285) 3.887 10.878 ( -9.569 0.936 -1.353) 9.709 10.944 ( -12.339 -4.473 -0.062) 13.125 11.167 ( 0.853 2.199 2.972) 3.795 11.185 ( -0.719 1.166 1.825) 2.282 11.263 ( 4.616 3.851 0.222) 6.015 11.330 ( 6.854 -2.620 -0.580) 7.361 11.758 ( 4.185 0.871 -1.262) 4.457 11.854 ( 8.647 -7.489 -2.741) 11.763 12.251 ( -5.897 -1.564 2.219) 6.492 12.253 ( -3.539 -0.591 3.407) 4.948 12.436 ( 8.147 0.333 -2.941) 8.668 12.471 ( 7.813 -2.895 -2.839) 8.803 12.760 ( -3.714 1.940 -0.046) 4.190 12.796 ( -2.278 -1.387 0.467) 2.708 12.961 ( 1.318 2.352 -1.163) 2.937 12.989 ( 3.305 -0.782 0.497) 3.433 13.299 ( -2.858 2.624 -0.669) 3.937 13.337 ( -1.053 -0.586 -2.821) 3.067 13.697 ( -2.326 2.877 0.375) 3.719 13.757 ( 0.894 -2.712 2.782) 3.987 14.027 ( -1.050 4.223 -1.499) 4.603 14.055 ( 0.438 0.811 1.896) 2.108 14.597 ( 1.826 1.145 1.501) 2.626 14.612 ( 2.072 -0.407 3.351) 3.961 15.016 ( -1.814 1.426 0.002) 2.308 15.040 ( 0.040 -0.680 -0.936) 1.157 15.143 ( 0.866 3.920 -1.506) 4.287 15.195 ( 3.539 -1.475 2.344) 4.494 15.586 ( -4.533 4.528 -7.752) 10.057 15.644 ( -3.653 0.577 -2.141) 4.274 15.873 ( -2.485 0.631 -3.554) 4.382 15.965 ( 2.903 -4.696 4.926) 7.399 16.078 ( -1.739 -0.249 -0.174) 1.765 16.138 ( 1.126 -3.560 3.113) 4.862 16.575 ( -2.381 0.831 -2.605) 3.626 16.632 ( -0.116 -5.415 -1.023) 5.512 17.202 ( 0.716 7.626 3.476) 8.411 17.260 ( 2.630 1.885 1.221) 3.458 17.389 ( 4.074 -0.336 2.452) 4.767 17.453 ( 2.132 -4.429 5.850) 7.641 17.625 ( -1.625 0.086 -1.579) 2.268 17.646 ( 5.276 -1.552 7.130) 9.004 18.035 ( 1.404 4.779 -2.774) 5.701 18.144 ( -2.599 -1.341 -3.387) 4.476 18.155 ( 5.388 -0.758 6.944) 8.822 18.243 ( 3.652 -6.885 3.019) 8.358 18.949 ( -1.844 4.575 -0.434) 4.952 19.004 ( 1.591 -0.823 1.272) 2.197 19.114 ( -3.148 3.628 -5.090) 6.999 19.189 ( 1.006 -1.604 -0.611) 1.989 19.208 ( -7.427 -1.157 -6.351) 9.840 19.260 ( -2.139 -5.029 0.546) 5.492 19.601 ( -11.780 2.802 -14.434) 18.841 19.648 ( -10.611 -2.287 -15.930) 19.276 19.835 ( 0.382 1.034 2.012) 2.294 19.865 ( 1.835 -1.862 2.717) 3.770 20.190 ( 0.528 5.964 7.170) 9.341 20.236 ( 5.329 7.077 0.227) 8.862 20.289 ( -0.416 -4.270 3.922) 5.813 20.371 ( 5.056 -7.041 0.961) 8.721 21.068 ( -11.069 14.104 -10.594) 20.825 21.305 ( -12.155 -9.756 -12.797) 20.166 21.544 ( 12.485 13.106 9.606) 20.492 21.781 ( 7.536 -10.890 6.669) 14.828 21.951 ( -0.431 -0.374 0.974) 1.129 21.967 ( 2.457 -2.099 3.956) 5.108 22.069 ( 3.556 2.336 3.754) 5.674 22.122 ( 6.836 -2.988 7.402) 10.510 22.446 ( -2.043 2.253 -1.832) 3.550 22.470 ( -1.570 -0.122 -0.600) 1.685 22.716 ( 5.045 0.146 6.993) 8.624 22.771 ( 8.128 -5.556 10.091) 14.099 24.592 ( -17.893 11.186 -14.654) 25.690 24.774 ( -13.489 -8.164 -12.859) 20.347 25.206 ( 7.283 11.819 6.761) 15.442 25.355 ( 6.050 -3.014 3.979) 7.843 25.429 ( 1.287 0.635 0.177) 1.446 25.470 ( 7.132 -3.240 3.841) 8.724 25.967 ( -4.975 -3.139 -2.952) 6.582 26.006 ( -2.593 -6.120 -2.341) 7.047 26.532 ( -0.084 3.815 -2.485) 4.554 26.609 ( 3.195 -3.991 -1.236) 5.260 26.893 ( 1.764 0.056 4.844) 5.155 26.941 ( 3.189 -4.395 3.285) 6.346 27.150 ( -5.937 1.454 -0.667) 6.149 27.189 ( -3.911 -2.496 0.082) 4.640 27.490 ( 2.108 2.370 1.611) 3.558 27.531 ( 3.789 -1.884 2.307) 4.819 28.094 ( -2.473 3.653 -0.437) 4.433 28.151 ( 1.427 -1.933 0.596) 2.476 28.308 ( -4.993 2.667 -6.523) 8.637 28.369 ( -1.523 -2.946 -2.357) 4.068 28.611 ( -4.139 2.820 -7.533) 9.046 28.630 ( -3.799 1.550 -4.299) 5.943 28.879 ( 2.119 3.148 1.387) 4.040 28.932 ( 5.173 -1.100 0.166) 5.292 28.995 ( -0.655 1.725 0.229) 1.859 29.043 ( 2.430 -1.962 1.110) 3.315 29.537 ( -3.841 4.024 0.613) 5.597 29.597 ( 0.632 -2.102 1.785) 2.829 29.694 ( 0.633 0.957 2.021) 2.324 29.761 ( -5.467 -5.138 0.073) 7.503 29.929 ( 14.469 5.501 4.969) 16.257 30.064 ( 12.738 -7.891 5.404) 15.929 31.239 ( -11.640 4.153 -11.604) 16.953 31.304 ( -11.524 -2.580 -12.096) 16.905 31.470 ( -2.526 4.054 7.581) 8.960 31.560 ( -1.801 -5.399 8.904) 10.568 31.905 ( -1.615 2.142 -2.651) 3.772 31.934 ( -0.979 -1.097 -1.105) 1.839 32.092 ( 4.075 3.162 1.457) 5.360 32.151 ( 5.715 -2.657 1.996) 6.611 32.553 ( -3.046 2.099 1.030) 3.840 32.619 ( -3.320 -4.904 3.506) 6.882 32.676 ( 3.438 0.259 -1.426) 3.731 32.708 ( 4.255 -3.689 -1.871) 5.935 33.471 ( -5.439 7.851 -9.366) 13.377 33.589 ( -2.219 -3.653 -7.303) 8.462 33.778 ( 1.400 6.447 7.661) 10.110 33.909 ( 5.153 -6.715 13.462) 15.902 38.353 ( 0.085 -1.060 0.083) 1.067 38.367 ( 1.151 -2.725 -0.815) 3.069 38.846 ( -5.634 10.208 -3.393) 12.143 38.997 ( 0.227 -3.628 -3.893) 5.327 39.294 ( 7.373 5.010 3.107) 9.440 39.406 ( 10.129 -5.362 3.556) 12.000 40.016 ( -2.280 4.101 0.865) 4.771 40.060 ( 0.370 -0.397 2.648) 2.703 40.853 ( -0.456 -2.155 0.471) 2.253 40.860 ( 0.054 -3.032 -2.346) 3.834 41.867 ( -3.255 4.535 -0.761) 5.634 41.896 ( -1.188 1.729 -2.580) 3.326 42.345 ( -1.205 1.115 -2.689) 3.151 42.365 ( -0.398 -0.880 0.475) 1.076 42.934 ( -2.116 0.941 3.692) 4.358 43.016 ( 3.892 -7.337 0.054) 8.306 ======================= Grid point 149 (83/84) ======================= q-point: (-0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 5.728 24.410 -1.300) 25.107 2.308 ( -4.717 12.390 6.727) 14.867 2.399 ( 4.798 -0.751 -0.840) 4.929 2.670 ( 0.600 -0.068 -2.024) 2.112 2.720 ( -7.173 -8.850 3.982) 12.068 2.830 ( 3.669 -8.738 -3.043) 9.953 3.061 ( 7.858 4.597 -1.415) 9.213 3.085 ( 11.860 4.336 3.097) 13.002 3.165 ( 8.563 -6.111 -2.857) 10.900 3.217 ( 7.926 -7.018 5.343) 11.859 3.333 ( 5.203 11.745 3.159) 13.229 3.540 ( 4.247 1.020 -1.309) 4.560 3.614 ( 6.440 2.924 0.427) 7.086 3.696 ( 1.233 -6.848 -1.653) 7.152 3.791 ( 7.386 2.465 1.829) 7.998 3.928 ( 4.762 -9.177 -0.778) 10.368 3.970 ( -6.298 5.979 0.504) 8.699 4.127 ( -1.829 -7.969 -0.280) 8.181 4.248 ( -1.152 0.167 0.241) 1.188 4.309 ( -1.771 -4.861 -1.981) 5.540 4.472 ( 5.014 12.585 -3.729) 14.052 4.573 ( 3.029 0.478 2.600) 4.021 4.827 ( -4.225 1.697 0.171) 4.556 4.963 ( -2.143 -5.689 7.522) 9.671 5.073 ( 4.126 7.200 7.877) 11.442 5.185 ( -1.011 -2.820 3.531) 4.630 5.343 ( -2.175 3.128 -0.602) 3.857 5.396 ( -7.880 0.190 -1.372) 8.001 5.580 ( 0.752 -1.025 4.260) 4.445 5.617 ( 0.113 -4.174 1.699) 4.508 5.722 ( 3.629 6.226 -2.885) 7.762 5.862 ( 4.244 -6.478 -0.809) 7.786 5.972 ( -5.374 1.267 -1.412) 5.699 6.028 ( -1.104 -2.565 2.755) 3.923 6.093 ( -3.698 1.871 -2.274) 4.727 6.125 ( -4.288 1.335 -3.702) 5.820 6.324 ( 9.051 6.046 -3.003) 11.291 6.443 ( 1.471 -0.927 -3.529) 3.935 6.477 ( 0.066 2.658 0.720) 2.755 6.560 ( 11.157 -8.097 -0.958) 13.819 6.696 ( 0.035 2.102 -2.834) 3.529 6.718 ( 5.772 -2.877 -0.644) 6.481 6.895 ( 4.050 -1.063 2.433) 4.843 6.953 ( 8.179 -6.178 3.882) 10.960 7.204 ( -2.687 6.146 2.089) 7.026 7.291 ( 2.338 0.337 4.185) 4.806 7.453 ( -0.039 -2.699 -2.611) 3.755 7.493 ( -0.598 -7.254 -3.635) 8.136 7.717 ( -6.187 2.766 -3.933) 7.835 7.792 ( -4.242 -2.277 -3.412) 5.901 7.975 ( -5.792 6.589 -1.875) 8.971 8.134 ( -6.899 -6.680 -0.700) 9.629 8.624 ( -5.101 2.574 2.084) 6.082 8.683 ( -8.569 -5.648 -1.690) 10.401 8.835 ( 4.870 7.539 -2.119) 9.222 9.002 ( 3.653 -7.561 -1.841) 8.597 9.229 ( -3.414 5.743 -1.378) 6.822 9.301 ( -1.371 1.185 -2.681) 3.236 9.416 ( -0.911 1.373 -1.591) 2.291 9.479 ( -2.256 -5.527 -1.621) 6.186 9.666 ( -5.560 3.255 -4.166) 7.673 9.722 ( -4.213 0.635 -4.880) 6.478 9.848 ( 0.820 0.669 1.236) 1.627 9.930 ( 3.618 -3.083 0.846) 4.828 10.283 ( 0.956 3.272 5.387) 6.375 10.367 ( 2.198 -4.630 4.635) 6.910 10.532 ( -4.660 3.969 -2.038) 6.452 10.603 ( -4.607 -3.332 -1.216) 5.814 10.781 ( -8.039 1.631 4.988) 9.600 10.840 ( -4.776 -3.626 2.328) 6.432 11.141 ( -3.255 3.330 1.541) 4.905 11.188 ( -2.277 -1.973 4.029) 5.031 11.350 ( 4.676 2.883 -0.575) 5.523 11.415 ( 4.099 -3.705 -0.679) 5.567 11.831 ( 7.794 3.466 -1.247) 8.620 11.937 ( 6.376 -6.727 -1.968) 9.475 12.209 ( -0.928 3.853 0.860) 4.055 12.309 ( 2.601 -4.544 5.106) 7.314 12.502 ( 6.150 1.980 -3.623) 7.407 12.535 ( 5.292 -0.551 -2.435) 5.851 12.718 ( -2.109 2.745 0.525) 3.501 12.763 ( -2.766 -0.582 0.335) 2.847 12.970 ( 1.887 1.841 -0.394) 2.666 13.034 ( 2.628 -2.370 -0.355) 3.556 13.237 ( -2.299 0.972 -2.224) 3.343 13.262 ( -3.230 -2.675 -2.245) 4.757 13.671 ( -1.951 8.156 -0.547) 8.404 13.792 ( -1.146 -3.707 1.341) 4.105 14.004 ( -0.104 4.360 -0.421) 4.381 14.078 ( 0.174 -4.108 0.981) 4.227 14.641 ( 0.204 3.757 0.931) 3.876 14.690 ( 2.251 -1.364 2.429) 3.582 14.967 ( -2.463 2.214 -1.855) 3.796 15.023 ( -1.010 -3.183 -0.623) 3.397 15.160 ( 2.779 8.033 -0.905) 8.548 15.293 ( 4.812 -5.391 3.420) 7.994 15.429 ( -1.696 3.332 -8.742) 9.508 15.514 ( -3.910 -3.043 -5.215) 7.193 15.816 ( -0.624 10.828 0.473) 10.857 16.030 ( -2.018 3.236 0.584) 3.858 16.064 ( -0.088 -9.741 0.466) 9.753 16.172 ( -1.389 -6.865 0.369) 7.013 16.550 ( 0.633 0.439 2.302) 2.427 16.593 ( -1.706 -3.930 -0.097) 4.285 17.247 ( 0.716 6.280 2.663) 6.859 17.293 ( 0.340 6.950 0.266) 6.963 17.396 ( -3.639 -3.525 0.365) 5.079 17.495 ( -2.331 -7.902 1.716) 8.415 17.830 ( 16.479 11.015 13.719) 24.106 18.002 ( 10.564 -2.484 10.291) 14.956 18.065 ( 4.023 0.918 0.272) 4.135 18.101 ( 4.947 -1.876 2.056) 5.676 18.234 ( -2.950 -0.399 -1.304) 3.250 18.314 ( 0.390 -7.997 -2.251) 8.316 18.743 ( -17.031 -0.295 -16.576) 23.768 18.763 ( -13.539 -1.352 -13.997) 19.520 18.936 ( -2.859 6.566 0.500) 7.178 19.060 ( -1.296 -5.743 0.416) 5.902 19.250 ( 2.772 0.717 4.151) 5.043 19.279 ( 1.101 -2.647 3.940) 4.872 19.376 ( -0.826 6.848 -4.684) 8.338 19.489 ( 1.746 -4.537 -2.479) 5.457 19.852 ( 0.896 2.703 0.783) 2.953 19.906 ( 0.635 -2.824 1.934) 3.481 20.170 ( -2.427 5.896 -4.806) 7.984 20.238 ( -1.407 0.147 -1.463) 2.035 20.398 ( 2.590 0.340 2.447) 3.579 20.469 ( 3.582 -6.274 1.951) 7.483 20.905 ( -1.834 12.789 -0.904) 12.952 21.110 ( -1.566 -8.572 -2.726) 9.130 21.689 ( 1.854 7.431 1.079) 7.734 21.819 ( -0.516 -6.489 0.164) 6.511 21.953 ( -0.664 2.509 0.967) 2.769 22.021 ( 0.143 -4.463 1.429) 4.689 22.186 ( 0.304 4.998 3.488) 6.102 22.284 ( -0.002 -5.130 4.093) 6.563 22.404 ( -1.384 2.791 -1.049) 3.287 22.450 ( -0.739 -1.968 0.554) 2.174 23.022 ( 11.981 5.488 14.033) 19.250 23.161 ( 11.587 -9.090 16.352) 22.006 24.131 ( -15.470 13.171 -13.428) 24.353 24.359 ( -11.173 -10.998 -12.777) 20.224 25.367 ( 3.411 8.588 2.377) 9.542 25.411 ( 2.102 0.076 0.633) 2.197 25.459 ( 1.995 5.822 -0.510) 6.175 25.657 ( 7.988 -6.987 3.498) 11.174 25.829 ( -5.423 -1.423 -4.046) 6.914 25.894 ( -5.613 -6.943 -4.301) 9.910 26.535 ( 2.477 2.802 -1.109) 3.901 26.607 ( 2.322 -4.460 -2.012) 5.416 26.970 ( -1.898 -1.037 -0.207) 2.173 26.987 ( -2.508 -2.837 0.935) 3.900 27.112 ( 0.580 4.771 6.708) 8.252 27.197 ( -0.477 -4.278 5.475) 6.964 27.584 ( 6.494 3.696 3.106) 8.092 27.639 ( 4.997 -2.114 3.647) 6.537 27.956 ( -10.209 5.070 -8.081) 13.972 28.057 ( -10.786 -4.353 -8.323) 14.302 28.200 ( 2.522 -0.150 0.472) 2.571 28.244 ( -1.540 -5.065 -2.958) 6.064 28.492 ( 0.370 6.856 -7.653) 10.281 28.578 ( 2.000 -0.459 -5.288) 5.673 28.911 ( 0.726 2.669 0.686) 2.850 28.963 ( 2.190 -1.076 -2.395) 3.419 29.010 ( -0.142 4.136 1.933) 4.568 29.107 ( 2.262 -3.928 1.897) 4.914 29.519 ( -0.352 4.913 1.627) 5.188 29.608 ( -1.438 -2.998 0.006) 3.325 29.720 ( 1.424 -0.017 -0.870) 1.668 29.745 ( 3.312 -1.485 1.277) 3.848 30.171 ( 8.098 5.209 -4.462) 10.612 30.277 ( 7.003 -6.157 -3.509) 9.963 30.941 ( -9.022 3.202 -5.148) 10.869 31.005 ( -8.678 -3.197 -1.602) 9.386 31.493 ( -6.724 2.899 7.385) 10.400 31.570 ( -7.319 -5.197 6.047) 10.823 31.916 ( 1.405 3.746 2.371) 4.651 31.959 ( 2.013 -0.742 1.551) 2.647 32.144 ( 2.257 2.993 1.011) 3.883 32.213 ( 0.662 -3.810 0.550) 3.906 32.553 ( 0.010 2.338 2.030) 3.096 32.627 ( -2.431 -5.129 4.211) 7.067 32.690 ( 2.314 3.170 -1.168) 4.095 32.773 ( 4.507 -5.133 0.214) 6.834 33.261 ( -3.670 7.193 -12.102) 14.549 33.383 ( -3.805 -5.625 -12.853) 14.537 33.983 ( 2.890 10.383 13.647) 17.390 34.165 ( 1.714 -9.452 15.650) 18.362 38.344 ( 0.209 -0.274 -1.895) 1.926 38.361 ( 1.091 -2.209 -3.061) 3.929 38.710 ( -2.103 8.317 -7.173) 11.182 38.877 ( -1.165 -8.369 -9.987) 13.082 39.522 ( 11.120 7.694 5.949) 14.772 39.630 ( 9.339 -3.678 6.169) 11.782 40.011 ( -1.945 7.508 3.147) 8.370 40.126 ( 0.076 -4.416 6.463) 7.828 40.836 ( 0.467 -0.218 -0.539) 0.745 40.864 ( 1.106 -2.991 1.673) 3.601 41.775 ( -4.122 6.064 -3.211) 8.005 41.838 ( -4.248 -0.086 -0.801) 4.324 42.303 ( -1.256 2.608 -0.866) 3.022 42.355 ( -1.711 -2.686 0.596) 3.240 42.960 ( -0.480 1.994 3.305) 3.890 43.071 ( 4.232 -9.074 -1.084) 10.071 ======================= Grid point 150 (84/84) ======================= q-point: (-0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 7.258 26.655 5.514) 28.170 2.328 ( -4.811 23.077 10.755) 25.911 2.542 ( 7.358 -2.550 2.300) 8.120 2.683 ( 4.731 -7.896 -0.889) 9.248 2.718 ( -5.132 -10.415 6.047) 13.091 2.757 ( -1.045 -10.383 -3.604) 11.040 3.147 ( 1.395 6.372 -2.446) 6.967 3.205 ( 0.134 5.837 1.503) 6.029 3.285 ( 8.155 -1.062 1.941) 8.450 3.379 ( 4.503 -3.165 1.724) 5.768 3.470 ( 12.315 1.395 0.752) 12.416 3.555 ( 1.250 -1.832 -4.698) 5.196 3.677 ( 0.717 0.512 0.006) 0.881 3.684 ( 5.433 1.125 -0.653) 5.587 3.882 ( -2.294 3.648 1.962) 4.735 3.929 ( 4.267 4.776 3.381) 7.242 4.012 ( 6.489 -3.680 0.553) 7.480 4.126 ( 3.466 -7.834 -0.986) 8.623 4.260 ( 0.514 0.194 0.442) 0.705 4.300 ( -2.040 -3.667 1.839) 4.582 4.514 ( 7.742 10.042 -1.731) 12.798 4.639 ( 3.170 -2.271 2.584) 4.678 4.765 ( -5.701 8.091 4.817) 11.008 5.022 ( -4.649 -9.502 5.601) 11.970 5.160 ( -5.469 12.351 5.409) 14.550 5.228 ( 4.859 4.331 1.946) 6.793 5.293 ( -5.983 0.263 3.409) 6.891 5.351 ( 0.547 -4.531 2.594) 5.250 5.613 ( -0.295 4.137 1.162) 4.307 5.665 ( 0.634 -2.639 3.655) 4.553 5.709 ( -0.349 10.071 -4.271) 10.945 5.865 ( 4.221 -5.528 -8.736) 11.167 5.902 ( -2.214 1.043 -9.367) 9.681 5.953 ( -1.041 -3.617 -0.966) 3.886 6.033 ( -1.286 -4.231 -3.089) 5.394 6.077 ( 0.796 -6.065 1.495) 6.297 6.270 ( -4.663 2.428 -3.142) 6.124 6.367 ( -6.245 -4.739 -5.981) 9.861 6.508 ( 0.014 5.145 -0.038) 5.145 6.626 ( 4.309 -7.306 -4.953) 9.822 6.707 ( 5.809 3.336 -1.330) 6.830 6.792 ( 1.282 -4.464 -0.614) 4.685 6.940 ( -0.477 1.542 -3.166) 3.554 7.003 ( -2.058 -3.752 -4.727) 6.376 7.213 ( 2.246 2.121 3.167) 4.425 7.334 ( -3.788 -6.664 -2.793) 8.158 7.391 ( -1.829 -0.587 -3.105) 3.651 7.421 ( 0.791 -3.925 0.392) 4.023 7.730 ( 3.052 7.507 5.449) 9.765 7.823 ( 7.615 3.969 6.082) 10.523 7.952 ( -0.875 -1.226 3.078) 3.427 8.082 ( -2.646 -7.386 3.646) 8.652 8.510 ( -6.161 -2.685 -3.346) 7.508 8.552 ( -3.063 -7.014 -1.606) 7.820 8.918 ( 7.515 3.851 1.037) 8.507 8.988 ( -0.408 -2.922 -3.347) 4.462 9.187 ( -5.741 6.589 -2.132) 8.996 9.204 ( -0.214 1.908 -3.310) 3.826 9.399 ( 0.625 -0.665 -1.501) 1.756 9.427 ( -2.491 -2.733 -2.665) 4.558 9.604 ( -2.537 4.096 2.140) 5.272 9.675 ( 1.320 -1.588 -0.823) 2.223 9.872 ( 0.166 -0.142 1.182) 1.202 9.940 ( 2.002 -2.668 -5.557) 6.481 10.287 ( -5.816 5.716 3.019) 8.696 10.390 ( -4.634 -3.707 3.033) 6.665 10.470 ( -0.812 0.182 -1.690) 1.884 10.526 ( -1.608 -3.168 -0.761) 3.633 10.747 ( -4.527 0.546 3.285) 5.620 10.802 ( -3.079 -5.410 0.480) 6.243 11.158 ( -1.400 3.386 5.717) 6.791 11.210 ( -1.664 -2.006 4.188) 4.933 11.377 ( 2.276 2.409 -2.882) 4.392 11.433 ( 1.478 -3.280 -2.497) 4.379 11.933 ( 6.571 2.372 -0.069) 6.987 11.990 ( 3.470 -3.534 -0.861) 5.027 12.244 ( 2.624 8.425 1.869) 9.020 12.403 ( 1.789 -6.152 2.606) 6.917 12.517 ( 0.578 6.271 -2.152) 6.656 12.555 ( 3.253 0.802 -3.174) 4.615 12.712 ( -0.590 1.586 1.251) 2.104 12.736 ( -0.783 -0.791 0.059) 1.115 13.019 ( 3.201 -0.532 2.205) 3.923 13.067 ( 2.814 -2.698 -0.116) 3.900 13.193 ( -0.378 0.567 -1.365) 1.526 13.213 ( -2.088 -3.026 0.254) 3.685 13.624 ( -1.762 7.775 -2.269) 8.289 13.740 ( -4.190 -3.604 -3.095) 6.335 14.007 ( 0.473 3.110 0.633) 3.209 14.079 ( -0.914 -4.848 -0.043) 4.934 14.621 ( -1.727 4.509 -1.659) 5.105 14.684 ( -3.091 -1.798 -2.802) 4.543 14.934 ( 0.495 1.420 -0.193) 1.516 15.001 ( -1.329 -5.048 -0.179) 5.223 15.178 ( 1.985 8.663 -1.438) 9.003 15.295 ( -1.938 0.113 -6.874) 7.142 15.419 ( 5.017 -2.357 4.057) 6.869 15.498 ( 4.464 -6.247 0.277) 7.683 15.848 ( 0.640 12.132 2.138) 12.336 15.954 ( -4.273 6.599 -2.764) 8.333 16.057 ( -0.850 -9.706 -0.644) 9.764 16.107 ( -3.815 -7.560 -2.798) 8.918 16.595 ( 1.565 3.591 4.009) 5.606 16.679 ( 5.099 -4.876 7.611) 10.378 17.224 ( -4.427 12.306 -3.571) 13.557 17.336 ( 1.362 2.738 3.614) 4.734 17.414 ( 1.509 -3.645 5.240) 6.559 17.517 ( 1.103 -9.275 5.733) 10.960 17.787 ( -15.058 8.116 -18.403) 25.126 17.879 ( -19.396 -3.355 -20.125) 28.151 18.029 ( 3.127 2.810 -2.285) 4.785 18.126 ( 1.050 -4.036 -3.096) 5.194 18.207 ( -0.244 1.162 1.379) 1.820 18.289 ( 0.337 -5.946 -0.872) 6.019 18.768 ( 14.094 4.102 13.747) 20.111 18.802 ( 6.721 2.851 7.134) 10.208 18.984 ( 3.511 -0.802 5.384) 6.477 19.058 ( 4.063 -5.633 6.813) 9.729 19.300 ( 0.499 3.717 2.299) 4.399 19.363 ( 1.033 -3.217 4.829) 5.893 19.445 ( 7.382 3.941 5.464) 9.994 19.537 ( 5.385 -3.869 3.037) 7.293 19.886 ( 1.912 2.520 1.088) 3.345 19.934 ( -0.128 -2.244 1.778) 2.866 20.053 ( -3.727 6.031 -6.270) 9.464 20.162 ( -2.693 -4.524 -5.638) 7.714 20.384 ( -3.128 3.920 -2.791) 5.739 20.481 ( -1.311 -5.914 -3.025) 6.771 20.981 ( 5.621 11.724 7.876) 15.201 21.172 ( 6.174 -8.466 6.310) 12.231 21.701 ( 0.039 6.991 -1.172) 7.089 21.827 ( 0.683 -6.517 0.640) 6.584 21.958 ( -0.498 2.216 1.523) 2.734 22.020 ( -1.575 -3.891 0.083) 4.198 22.171 ( -3.451 4.891 -0.854) 6.047 22.275 ( -4.023 -5.996 -0.388) 7.231 22.376 ( -0.243 3.429 -0.689) 3.506 22.427 ( -1.496 -2.036 -0.775) 2.642 23.001 ( -15.566 4.440 -13.358) 20.987 23.098 ( -18.555 -6.168 -14.140) 24.130 24.139 ( 14.263 16.604 15.554) 26.852 24.447 ( 15.774 -15.305 15.882) 27.116 25.351 ( -5.300 12.075 -6.747) 14.813 25.425 ( -0.079 0.107 -1.338) 1.344 25.447 ( 1.618 0.865 0.015) 1.835 25.661 ( -4.179 -16.154 -9.102) 19.007 25.804 ( 2.589 2.132 2.217) 4.020 25.831 ( 0.001 -0.834 2.258) 2.407 26.574 ( 4.612 4.518 1.200) 6.567 26.668 ( 6.003 -4.874 2.359) 8.085 26.932 ( -1.146 1.013 0.908) 1.778 26.972 ( -1.554 -3.565 1.057) 4.030 27.139 ( -6.062 4.346 -0.142) 7.460 27.199 ( -6.445 -2.125 0.681) 6.821 27.592 ( -4.617 3.929 -6.815) 9.121 27.651 ( -3.755 -2.003 -5.837) 7.224 27.870 ( 3.505 2.614 3.766) 5.770 27.951 ( 4.690 -5.758 3.395) 8.165 28.278 ( 5.730 1.857 5.299) 8.023 28.317 ( 3.217 -1.565 3.021) 4.683 28.423 ( 4.795 3.272 -2.376) 6.272 28.518 ( 3.130 -4.493 -6.620) 8.591 28.919 ( -0.851 2.245 0.625) 2.481 28.957 ( 1.187 -0.576 -2.035) 2.425 29.020 ( -0.719 5.265 0.927) 5.394 29.125 ( -0.277 -4.578 -0.816) 4.658 29.549 ( -0.420 2.155 0.652) 2.291 29.565 ( -2.927 0.808 -4.728) 5.619 29.754 ( 2.083 2.250 -0.071) 3.067 29.810 ( 1.263 -1.713 2.219) 3.075 29.933 ( -11.034 3.886 -17.717) 21.230 30.049 ( -9.890 -7.500 -18.843) 22.563 31.007 ( 8.714 3.927 7.687) 12.265 31.069 ( 6.558 -2.458 6.245) 9.383 31.494 ( -6.379 1.068 6.434) 9.123 31.539 ( -7.132 -3.269 5.567) 9.620 31.961 ( 1.257 3.985 3.901) 5.716 32.004 ( 1.091 -0.080 2.466) 2.698 32.210 ( 2.946 0.009 2.701) 3.997 32.225 ( -0.004 -1.413 1.739) 2.241 32.581 ( -0.515 1.913 2.275) 3.017 32.639 ( -2.496 -4.039 3.379) 5.828 32.725 ( 3.187 4.226 -0.062) 5.293 32.823 ( 3.009 -5.646 -1.240) 6.517 33.074 ( -2.831 5.937 -10.009) 11.977 33.184 ( -3.032 -5.458 -11.056) 12.697 34.162 ( 1.058 8.773 10.522) 13.740 34.310 ( -3.042 -7.388 9.192) 12.179 38.309 ( -0.234 1.133 -3.463) 3.651 38.324 ( 0.713 -0.894 -4.511) 4.653 38.629 ( -0.085 3.675 -3.306) 4.944 38.751 ( -0.201 -8.067 -8.287) 11.567 39.695 ( 6.433 6.326 1.442) 9.136 39.777 ( 4.319 -2.431 0.702) 5.005 40.040 ( -0.708 9.591 5.026) 10.851 40.178 ( -3.678 -4.373 4.628) 7.353 40.886 ( 3.137 1.170 3.519) 4.857 40.939 ( 4.257 -3.943 3.066) 6.563 41.704 ( -1.991 5.936 -0.163) 6.263 41.773 ( -2.597 -0.812 -0.708) 2.811 42.289 ( -0.268 2.339 0.406) 2.389 42.336 ( -1.390 -2.424 0.051) 2.795 42.996 ( -0.758 0.542 3.593) 3.712 43.102 ( 2.513 -9.919 -1.931) 10.413 =================== 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 3/57120 10.0 2304.355 424.108 1355.435 0.000 1379.366 0.000 3/57120 20.0 202.986 163.024 205.560 0.000 79.962 0.000 3/57120 30.0 71.632 65.888 78.297 0.000 25.886 0.000 3/57120 40.0 37.616 35.626 41.382 0.000 12.925 0.000 3/57120 50.0 24.026 22.872 26.342 0.000 7.910 0.000 3/57120 60.0 17.218 16.395 18.809 0.000 5.484 0.000 3/57120 70.0 13.277 12.639 14.466 0.000 4.127 0.000 3/57120 80.0 10.757 10.241 11.700 0.000 3.286 0.000 3/57120 90.0 9.026 8.596 9.807 0.000 2.724 0.000 3/57120 100.0 7.774 7.406 8.440 0.000 2.327 0.000 3/57120 110.0 6.830 6.509 7.411 0.000 2.034 0.000 3/57120 120.0 6.096 5.810 6.611 0.000 1.811 0.000 3/57120 130.0 5.510 5.253 5.973 0.000 1.636 0.000 3/57120 140.0 5.033 4.797 5.454 0.000 1.497 0.000 3/57120 150.0 4.637 4.419 5.024 0.000 1.384 0.000 3/57120 160.0 4.304 4.100 4.662 0.000 1.291 0.000 3/57120 170.0 4.021 3.827 4.354 0.000 1.214 0.000 3/57120 180.0 3.776 3.591 4.089 0.000 1.148 0.000 3/57120 190.0 3.563 3.385 3.858 0.000 1.092 0.000 3/57120 200.0 3.376 3.203 3.655 0.000 1.044 0.000 3/57120 210.0 3.209 3.041 3.475 0.000 1.002 0.000 3/57120 220.0 3.061 2.897 3.314 0.000 0.965 0.000 3/57120 230.0 2.928 2.767 3.170 0.000 0.932 0.000 3/57120 240.0 2.807 2.649 3.040 0.000 0.902 0.000 3/57120 250.0 2.698 2.541 2.921 0.000 0.875 0.000 3/57120 260.0 2.597 2.443 2.813 0.000 0.851 0.000 3/57120 270.0 2.505 2.353 2.714 0.000 0.828 0.000 3/57120 280.0 2.420 2.269 2.622 0.000 0.807 0.000 3/57120 290.0 2.341 2.192 2.537 0.000 0.787 0.000 3/57120 300.0 2.268 2.120 2.458 0.000 0.768 0.000 3/57120 310.0 2.199 2.053 2.384 0.000 0.751 0.000 3/57120 320.0 2.135 1.991 2.315 0.000 0.734 0.000 3/57120 330.0 2.075 1.932 2.251 0.000 0.719 0.000 3/57120 340.0 2.019 1.877 2.190 0.000 0.704 0.000 3/57120 350.0 1.966 1.825 2.133 0.000 0.690 0.000 3/57120 360.0 1.916 1.777 2.079 0.000 0.676 0.000 3/57120 370.0 1.868 1.730 2.028 0.000 0.663 0.000 3/57120 380.0 1.823 1.687 1.979 0.000 0.650 0.000 3/57120 390.0 1.780 1.645 1.933 0.000 0.638 0.000 3/57120 400.0 1.739 1.606 1.889 0.000 0.626 0.000 3/57120 410.0 1.701 1.569 1.847 0.000 0.615 0.000 3/57120 420.0 1.664 1.533 1.808 0.000 0.604 0.000 3/57120 430.0 1.628 1.499 1.770 0.000 0.594 0.000 3/57120 440.0 1.594 1.467 1.733 0.000 0.584 0.000 3/57120 450.0 1.562 1.436 1.698 0.000 0.574 0.000 3/57120 460.0 1.531 1.406 1.665 0.000 0.564 0.000 3/57120 470.0 1.501 1.378 1.633 0.000 0.555 0.000 3/57120 480.0 1.473 1.350 1.602 0.000 0.546 0.000 3/57120 490.0 1.445 1.324 1.573 0.000 0.537 0.000 3/57120 500.0 1.419 1.299 1.544 0.000 0.529 0.000 3/57120 510.0 1.393 1.275 1.517 0.000 0.520 0.000 3/57120 520.0 1.369 1.252 1.490 0.000 0.512 0.000 3/57120 530.0 1.345 1.229 1.465 0.000 0.505 0.000 3/57120 540.0 1.322 1.208 1.440 0.000 0.497 0.000 3/57120 550.0 1.300 1.187 1.416 0.000 0.490 0.000 3/57120 560.0 1.279 1.167 1.393 0.000 0.483 0.000 3/57120 570.0 1.258 1.147 1.371 0.000 0.476 0.000 3/57120 580.0 1.238 1.129 1.349 0.000 0.469 0.000 3/57120 590.0 1.219 1.110 1.328 0.000 0.462 0.000 3/57120 600.0 1.200 1.093 1.308 0.000 0.456 0.000 3/57120 610.0 1.182 1.076 1.289 0.000 0.450 0.000 3/57120 620.0 1.164 1.059 1.270 0.000 0.443 0.000 3/57120 630.0 1.147 1.044 1.251 0.000 0.437 0.000 3/57120 640.0 1.131 1.028 1.233 0.000 0.432 0.000 3/57120 650.0 1.114 1.013 1.216 0.000 0.426 0.000 3/57120 660.0 1.099 0.998 1.199 0.000 0.420 0.000 3/57120 670.0 1.084 0.984 1.183 0.000 0.415 0.000 3/57120 680.0 1.069 0.971 1.167 0.000 0.410 0.000 3/57120 690.0 1.054 0.957 1.151 0.000 0.405 0.000 3/57120 700.0 1.040 0.944 1.136 0.000 0.400 0.000 3/57120 710.0 1.027 0.932 1.121 0.000 0.395 0.000 3/57120 720.0 1.014 0.919 1.107 0.000 0.390 0.000 3/57120 730.0 1.001 0.907 1.093 0.000 0.385 0.000 3/57120 740.0 0.988 0.896 1.079 0.000 0.381 0.000 3/57120 750.0 0.976 0.884 1.066 0.000 0.376 0.000 3/57120 760.0 0.964 0.873 1.053 0.000 0.372 0.000 3/57120 770.0 0.952 0.863 1.040 0.000 0.367 0.000 3/57120 780.0 0.941 0.852 1.028 0.000 0.363 0.000 3/57120 790.0 0.929 0.842 1.016 0.000 0.359 0.000 3/57120 800.0 0.919 0.832 1.004 0.000 0.355 0.000 3/57120 810.0 0.908 0.822 0.992 0.000 0.351 0.000 3/57120 820.0 0.898 0.812 0.981 0.000 0.347 0.000 3/57120 830.0 0.887 0.803 0.970 0.000 0.343 0.000 3/57120 840.0 0.877 0.794 0.959 0.000 0.340 0.000 3/57120 850.0 0.868 0.785 0.949 0.000 0.336 0.000 3/57120 860.0 0.858 0.776 0.938 0.000 0.333 0.000 3/57120 870.0 0.849 0.768 0.928 0.000 0.329 0.000 3/57120 880.0 0.840 0.759 0.919 0.000 0.326 0.000 3/57120 890.0 0.831 0.751 0.909 0.000 0.322 0.000 3/57120 900.0 0.822 0.743 0.899 0.000 0.319 0.000 3/57120 910.0 0.814 0.736 0.890 0.000 0.316 0.000 3/57120 920.0 0.805 0.728 0.881 0.000 0.313 0.000 3/57120 930.0 0.797 0.720 0.872 0.000 0.310 0.000 3/57120 940.0 0.789 0.713 0.863 0.000 0.307 0.000 3/57120 950.0 0.781 0.706 0.855 0.000 0.304 0.000 3/57120 960.0 0.774 0.699 0.847 0.000 0.301 0.000 3/57120 970.0 0.766 0.692 0.838 0.000 0.298 0.000 3/57120 980.0 0.759 0.685 0.830 0.000 0.295 0.000 3/57120 990.0 0.751 0.679 0.822 0.000 0.292 0.000 3/57120 1000.0 0.744 0.672 0.815 0.000 0.290 0.000 3/57120 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:48:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|