----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:16:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.712584160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.513410609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.628498300000000 Atomic positions (fractional): *1 B 0.43543687351332 0.58690146208248 0.75000000000000 10.811 *2 B 0.22610055599901 0.86998538278060 0.09283109010664 10.811 3 B 0.77389944400099 0.13001461721940 0.59283109010664 10.811 4 B 0.22610055599901 0.63001461721940 0.90716890989336 10.811 5 B 0.77389944400099 0.36998538278060 0.40716890989336 10.811 6 B 0.77389944400099 0.13001461721940 0.90716890989336 10.811 7 B 0.22610055599901 0.86998538278060 0.40716890989336 10.811 8 B 0.77389944400099 0.36998538278060 0.09283109010664 10.811 9 B 0.22610055599901 0.63001461721940 0.59283109010664 10.811 10 B 0.43543687351332 0.91309853791752 0.25000000000000 10.811 11 B 0.56456312648668 0.08690146208248 0.75000000000000 10.811 12 B 0.56456312648668 0.41309853791752 0.25000000000000 10.811 *13 B 0.75463886847133 0.74188690846981 0.25000000000000 10.811 14 B 0.24536113152867 0.25811309153019 0.75000000000000 10.811 15 B 0.75463886847133 0.75811309153019 0.75000000000000 10.811 16 B 0.24536113152867 0.24188690846981 0.25000000000000 10.811 *17 N 0.60563160270103 0.72739198757575 0.25000000000000 14.007 *18 N 0.53360471141341 0.99923543679011 0.25000000000000 14.007 *19 N 0.85864179338030 0.41408148819180 0.95933869717689 14.007 20 N 0.14135820661970 0.58591851180820 0.45933869717689 14.007 21 N 0.85864179338030 0.41408148819180 0.54066130282311 14.007 22 N 0.14135820661970 0.58591851180820 0.04066130282311 14.007 23 N 0.85864179338030 0.08591851180820 0.45933869717689 14.007 24 N 0.14135820661970 0.91408148819180 0.95933869717689 14.007 *25 N 0.37714096637855 0.62169654273419 0.58116652154648 14.007 26 N 0.85864179338030 0.08591851180820 0.04066130282311 14.007 27 N 0.62285903362145 0.37830345726581 0.08116652154648 14.007 28 N 0.37714096637855 0.87830345726581 0.41883347845352 14.007 29 N 0.62285903362145 0.12169654273419 0.91883347845352 14.007 30 N 0.62285903362145 0.37830345726581 0.41883347845352 14.007 31 N 0.37714096637855 0.62169654273419 0.91883347845352 14.007 32 N 0.62285903362145 0.12169654273419 0.58116652154648 14.007 33 N 0.37714096637855 0.87830345726581 0.08116652154648 14.007 34 N 0.39436839729897 0.22739198757575 0.25000000000000 14.007 35 N 0.60563160270103 0.77260801242425 0.75000000000000 14.007 36 N 0.39436839729897 0.27260801242424 0.75000000000000 14.007 *37 N 0.15841614628802 0.82230593508135 0.25000000000000 14.007 38 N 0.84158385371198 0.17769406491865 0.75000000000000 14.007 39 N 0.15841614628802 0.67769406491865 0.75000000000000 14.007 40 N 0.84158385371198 0.32230593508135 0.25000000000000 14.007 *41 N 0.17821197406994 0.34791404784491 0.25000000000000 14.007 42 N 0.82178802593006 0.65208595215509 0.75000000000000 14.007 43 N 0.17821197406994 0.15208595215509 0.75000000000000 14.007 44 N 0.82178802593006 0.84791404784491 0.25000000000000 14.007 *45 N 0.15516704617030 0.14595807704300 0.25000000000000 14.007 46 N 0.84483295382970 0.85404192295700 0.75000000000000 14.007 47 N 0.15516704617030 0.35404192295700 0.75000000000000 14.007 48 N 0.84483295382970 0.64595807704300 0.25000000000000 14.007 49 N 0.46639528858659 0.49923543679011 0.25000000000000 14.007 50 N 0.53360471141341 0.50076456320989 0.75000000000000 14.007 51 N 0.46639528858659 0.00076456320989 0.75000000000000 14.007 52 N 0.14135820661970 0.91408148819180 0.54066130282311 14.007 *53 La 0.34597841010783 0.08497047783987 0.99757148868728 138.905 54 La 0.65402158989217 0.91502952216013 0.49757148868729 138.905 55 La 0.34597841010783 0.41502952216013 0.00242851131272 138.905 56 La 0.65402158989217 0.58497047783987 0.50242851131272 138.905 57 La 0.65402158989217 0.91502952216013 0.00242851131272 138.905 58 La 0.34597841010783 0.08497047783987 0.50242851131272 138.905 59 La 0.65402158989217 0.58497047783987 0.99757148868728 138.905 60 La 0.34597841010783 0.41502952216013 0.49757148868729 138.905 *61 La 0.01125509864261 0.25000000000000 0.50000000000000 138.905 62 La 0.98874490135740 0.75000000000000 0.00000000000000 138.905 63 La 0.98874490135740 0.75000000000000 0.50000000000000 138.905 64 La 0.01125509864261 0.25000000000000 0.00000000000000 138.905 *65 La 0.99654475314287 0.99408268755217 0.25000000000000 138.905 66 La 0.00345524685713 0.00591731244783 0.75000000000000 138.905 67 La 0.99654475314287 0.50591731244783 0.75000000000000 138.905 68 La 0.00345524685713 0.49408268755217 0.25000000000000 138.905 *69 La 0.35840149983807 0.67803525999928 0.25000000000000 138.905 70 La 0.64159850016193 0.32196474000073 0.75000000000000 138.905 71 La 0.35840149983807 0.82196474000072 0.75000000000000 138.905 72 La 0.64159850016193 0.17803525999927 0.25000000000000 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.712584160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.513410609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.628498300000000 Atomic positions (fractional): *1 B 0.43543687351332 0.58690146208248 0.75000000000000 10.811 > 1 *2 B 0.22610055599901 0.86998538278060 0.09283109010664 10.811 > 2 3 B 0.77389944400099 0.13001461721940 0.59283109010664 10.811 > 3 4 B 0.22610055599901 0.63001461721940 0.90716890989336 10.811 > 4 5 B 0.77389944400099 0.36998538278060 0.40716890989336 10.811 > 5 6 B 0.77389944400099 0.13001461721940 0.90716890989336 10.811 > 6 7 B 0.22610055599901 0.86998538278060 0.40716890989336 10.811 > 7 8 B 0.77389944400099 0.36998538278060 0.09283109010664 10.811 > 8 9 B 0.22610055599901 0.63001461721940 0.59283109010664 10.811 > 9 10 B 0.43543687351332 0.91309853791752 0.25000000000000 10.811 > 10 11 B 0.56456312648668 0.08690146208248 0.75000000000000 10.811 > 11 12 B 0.56456312648668 0.41309853791752 0.25000000000000 10.811 > 12 *13 B 0.75463886847133 0.74188690846981 0.25000000000000 10.811 > 13 14 B 0.24536113152867 0.25811309153019 0.75000000000000 10.811 > 14 15 B 0.75463886847133 0.75811309153019 0.75000000000000 10.811 > 15 16 B 0.24536113152867 0.24188690846981 0.25000000000000 10.811 > 16 *17 N 0.60563160270103 0.72739198757575 0.25000000000000 14.007 > 17 *18 N 0.53360471141341 0.99923543679011 0.25000000000000 14.007 > 18 *19 N 0.85864179338030 0.41408148819180 0.95933869717689 14.007 > 19 20 N 0.14135820661970 0.58591851180820 0.45933869717689 14.007 > 20 21 N 0.85864179338030 0.41408148819180 0.54066130282311 14.007 > 21 22 N 0.14135820661970 0.58591851180820 0.04066130282311 14.007 > 22 23 N 0.85864179338030 0.08591851180820 0.45933869717689 14.007 > 23 24 N 0.14135820661970 0.91408148819180 0.95933869717689 14.007 > 24 *25 N 0.37714096637855 0.62169654273419 0.58116652154648 14.007 > 25 26 N 0.85864179338030 0.08591851180820 0.04066130282311 14.007 > 26 27 N 0.62285903362145 0.37830345726581 0.08116652154648 14.007 > 27 28 N 0.37714096637855 0.87830345726581 0.41883347845352 14.007 > 28 29 N 0.62285903362145 0.12169654273419 0.91883347845352 14.007 > 29 30 N 0.62285903362145 0.37830345726581 0.41883347845352 14.007 > 30 31 N 0.37714096637855 0.62169654273419 0.91883347845352 14.007 > 31 32 N 0.62285903362145 0.12169654273419 0.58116652154648 14.007 > 32 33 N 0.37714096637855 0.87830345726581 0.08116652154648 14.007 > 33 34 N 0.39436839729897 0.22739198757575 0.25000000000000 14.007 > 34 35 N 0.60563160270103 0.77260801242425 0.75000000000000 14.007 > 35 36 N 0.39436839729897 0.27260801242424 0.75000000000000 14.007 > 36 *37 N 0.15841614628802 0.82230593508135 0.25000000000000 14.007 > 37 38 N 0.84158385371198 0.17769406491865 0.75000000000000 14.007 > 38 39 N 0.15841614628802 0.67769406491865 0.75000000000000 14.007 > 39 40 N 0.84158385371198 0.32230593508135 0.25000000000000 14.007 > 40 *41 N 0.17821197406994 0.34791404784491 0.25000000000000 14.007 > 41 42 N 0.82178802593006 0.65208595215509 0.75000000000000 14.007 > 42 43 N 0.17821197406994 0.15208595215509 0.75000000000000 14.007 > 43 44 N 0.82178802593006 0.84791404784491 0.25000000000000 14.007 > 44 *45 N 0.15516704617030 0.14595807704300 0.25000000000000 14.007 > 45 46 N 0.84483295382970 0.85404192295700 0.75000000000000 14.007 > 46 47 N 0.15516704617030 0.35404192295700 0.75000000000000 14.007 > 47 48 N 0.84483295382970 0.64595807704300 0.25000000000000 14.007 > 48 49 N 0.46639528858659 0.49923543679011 0.25000000000000 14.007 > 49 50 N 0.53360471141341 0.50076456320989 0.75000000000000 14.007 > 50 51 N 0.46639528858659 0.00076456320989 0.75000000000000 14.007 > 51 52 N 0.14135820661970 0.91408148819180 0.54066130282311 14.007 > 52 *53 La 0.34597841010783 0.08497047783987 0.99757148868728 138.905 > 53 54 La 0.65402158989217 0.91502952216013 0.49757148868729 138.905 > 54 55 La 0.34597841010783 0.41502952216013 0.00242851131272 138.905 > 55 56 La 0.65402158989217 0.58497047783987 0.50242851131272 138.905 > 56 57 La 0.65402158989217 0.91502952216013 0.00242851131272 138.905 > 57 58 La 0.34597841010783 0.08497047783987 0.50242851131272 138.905 > 58 59 La 0.65402158989217 0.58497047783987 0.99757148868728 138.905 > 59 60 La 0.34597841010783 0.41502952216013 0.49757148868729 138.905 > 60 *61 La 0.01125509864261 0.25000000000000 0.50000000000000 138.905 > 61 62 La 0.98874490135740 0.75000000000000 0.00000000000000 138.905 > 62 63 La 0.98874490135740 0.75000000000000 0.50000000000000 138.905 > 63 64 La 0.01125509864261 0.25000000000000 0.00000000000000 138.905 > 64 *65 La 0.99654475314287 0.99408268755217 0.25000000000000 138.905 > 65 66 La 0.00345524685713 0.00591731244783 0.75000000000000 138.905 > 66 67 La 0.99654475314287 0.50591731244783 0.75000000000000 138.905 > 67 68 La 0.00345524685713 0.49408268755217 0.25000000000000 138.905 > 68 *69 La 0.35840149983807 0.67803525999928 0.25000000000000 138.905 > 69 70 La 0.64159850016193 0.32196474000073 0.75000000000000 138.905 > 70 71 La 0.35840149983807 0.82196474000072 0.75000000000000 138.905 > 71 72 La 0.64159850016193 0.17803525999927 0.25000000000000 138.905 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.712584160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.513410609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.256996600000001 Atomic positions (fractional): *1 B 0.43543687351332 0.58690146208248 0.37500000000000 10.811 > 1 2 B 0.43543687351332 0.58690146208248 0.87500000000000 10.811 > 1 *3 B 0.22610055599901 0.86998538278060 0.04641554505332 10.811 > 2 4 B 0.22610055599901 0.86998538278060 0.54641554505332 10.811 > 2 5 B 0.77389944400099 0.13001461721940 0.29641554505332 10.811 > 3 6 B 0.77389944400099 0.13001461721940 0.79641554505332 10.811 > 3 7 B 0.22610055599901 0.63001461721940 0.45358445494668 10.811 > 4 8 B 0.22610055599901 0.63001461721940 0.95358445494668 10.811 > 4 9 B 0.77389944400099 0.36998538278060 0.20358445494668 10.811 > 5 10 B 0.77389944400099 0.36998538278060 0.70358445494668 10.811 > 5 11 B 0.77389944400099 0.13001461721940 0.45358445494668 10.811 > 6 12 B 0.77389944400099 0.13001461721940 0.95358445494668 10.811 > 6 13 B 0.22610055599901 0.86998538278060 0.20358445494668 10.811 > 7 14 B 0.22610055599901 0.86998538278060 0.70358445494668 10.811 > 7 15 B 0.77389944400099 0.36998538278060 0.04641554505332 10.811 > 8 16 B 0.77389944400099 0.36998538278060 0.54641554505332 10.811 > 8 17 B 0.22610055599901 0.63001461721940 0.29641554505332 10.811 > 9 18 B 0.22610055599901 0.63001461721940 0.79641554505332 10.811 > 9 19 B 0.43543687351332 0.91309853791752 0.12500000000000 10.811 > 10 20 B 0.43543687351332 0.91309853791752 0.62500000000000 10.811 > 10 21 B 0.56456312648668 0.08690146208248 0.37500000000000 10.811 > 11 22 B 0.56456312648668 0.08690146208248 0.87500000000000 10.811 > 11 23 B 0.56456312648668 0.41309853791752 0.12500000000000 10.811 > 12 24 B 0.56456312648668 0.41309853791752 0.62500000000000 10.811 > 12 *25 B 0.75463886847133 0.74188690846981 0.12500000000000 10.811 > 13 26 B 0.75463886847133 0.74188690846981 0.62500000000000 10.811 > 13 27 B 0.24536113152867 0.25811309153019 0.37500000000000 10.811 > 14 28 B 0.24536113152867 0.25811309153019 0.87500000000000 10.811 > 14 29 B 0.75463886847133 0.75811309153019 0.37500000000000 10.811 > 15 30 B 0.75463886847133 0.75811309153019 0.87500000000000 10.811 > 15 31 B 0.24536113152867 0.24188690846981 0.12500000000000 10.811 > 16 32 B 0.24536113152867 0.24188690846981 0.62500000000000 10.811 > 16 *33 N 0.60563160270103 0.72739198757575 0.12500000000000 14.007 > 17 34 N 0.60563160270103 0.72739198757575 0.62500000000000 14.007 > 17 *35 N 0.53360471141341 0.99923543679011 0.12500000000000 14.007 > 18 36 N 0.53360471141341 0.99923543679011 0.62500000000000 14.007 > 18 *37 N 0.85864179338030 0.41408148819180 0.47966934858844 14.007 > 19 38 N 0.85864179338030 0.41408148819180 0.97966934858844 14.007 > 19 39 N 0.14135820661970 0.58591851180820 0.22966934858844 14.007 > 20 40 N 0.14135820661970 0.58591851180820 0.72966934858844 14.007 > 20 41 N 0.85864179338030 0.41408148819180 0.27033065141156 14.007 > 21 42 N 0.85864179338030 0.41408148819180 0.77033065141156 14.007 > 21 43 N 0.14135820661970 0.58591851180820 0.02033065141156 14.007 > 22 44 N 0.14135820661970 0.58591851180820 0.52033065141156 14.007 > 22 45 N 0.85864179338030 0.08591851180820 0.22966934858844 14.007 > 23 46 N 0.85864179338030 0.08591851180820 0.72966934858844 14.007 > 23 47 N 0.14135820661970 0.91408148819180 0.47966934858844 14.007 > 24 48 N 0.14135820661970 0.91408148819180 0.97966934858844 14.007 > 24 *49 N 0.37714096637855 0.62169654273419 0.29058326077324 14.007 > 25 50 N 0.37714096637855 0.62169654273419 0.79058326077324 14.007 > 25 51 N 0.85864179338030 0.08591851180820 0.02033065141156 14.007 > 26 52 N 0.85864179338030 0.08591851180820 0.52033065141156 14.007 > 26 53 N 0.62285903362145 0.37830345726581 0.04058326077324 14.007 > 27 54 N 0.62285903362145 0.37830345726581 0.54058326077324 14.007 > 27 55 N 0.37714096637855 0.87830345726581 0.20941673922676 14.007 > 28 56 N 0.37714096637855 0.87830345726581 0.70941673922676 14.007 > 28 57 N 0.62285903362145 0.12169654273419 0.45941673922676 14.007 > 29 58 N 0.62285903362145 0.12169654273419 0.95941673922676 14.007 > 29 59 N 0.62285903362145 0.37830345726581 0.20941673922676 14.007 > 30 60 N 0.62285903362145 0.37830345726581 0.70941673922676 14.007 > 30 61 N 0.37714096637855 0.62169654273419 0.45941673922676 14.007 > 31 62 N 0.37714096637855 0.62169654273419 0.95941673922676 14.007 > 31 63 N 0.62285903362145 0.12169654273419 0.29058326077324 14.007 > 32 64 N 0.62285903362145 0.12169654273419 0.79058326077324 14.007 > 32 65 N 0.37714096637855 0.87830345726581 0.04058326077324 14.007 > 33 66 N 0.37714096637855 0.87830345726581 0.54058326077324 14.007 > 33 67 N 0.39436839729897 0.22739198757575 0.12500000000000 14.007 > 34 68 N 0.39436839729897 0.22739198757575 0.62500000000000 14.007 > 34 69 N 0.60563160270103 0.77260801242425 0.37500000000000 14.007 > 35 70 N 0.60563160270103 0.77260801242425 0.87500000000000 14.007 > 35 71 N 0.39436839729897 0.27260801242424 0.37500000000000 14.007 > 36 72 N 0.39436839729897 0.27260801242424 0.87500000000000 14.007 > 36 *73 N 0.15841614628802 0.82230593508135 0.12500000000000 14.007 > 37 74 N 0.15841614628802 0.82230593508135 0.62500000000000 14.007 > 37 75 N 0.84158385371198 0.17769406491865 0.37500000000000 14.007 > 38 76 N 0.84158385371198 0.17769406491865 0.87500000000000 14.007 > 38 77 N 0.15841614628802 0.67769406491865 0.37500000000000 14.007 > 39 78 N 0.15841614628802 0.67769406491865 0.87500000000000 14.007 > 39 79 N 0.84158385371198 0.32230593508135 0.12500000000000 14.007 > 40 80 N 0.84158385371198 0.32230593508135 0.62500000000000 14.007 > 40 *81 N 0.17821197406994 0.34791404784491 0.12500000000000 14.007 > 41 82 N 0.17821197406994 0.34791404784491 0.62500000000000 14.007 > 41 83 N 0.82178802593006 0.65208595215509 0.37500000000000 14.007 > 42 84 N 0.82178802593006 0.65208595215509 0.87500000000000 14.007 > 42 85 N 0.17821197406994 0.15208595215509 0.37500000000000 14.007 > 43 86 N 0.17821197406994 0.15208595215509 0.87500000000000 14.007 > 43 87 N 0.82178802593006 0.84791404784491 0.12500000000000 14.007 > 44 88 N 0.82178802593006 0.84791404784491 0.62500000000000 14.007 > 44 *89 N 0.15516704617030 0.14595807704300 0.12500000000000 14.007 > 45 90 N 0.15516704617030 0.14595807704300 0.62500000000000 14.007 > 45 91 N 0.84483295382970 0.85404192295700 0.37500000000000 14.007 > 46 92 N 0.84483295382970 0.85404192295700 0.87500000000000 14.007 > 46 93 N 0.15516704617030 0.35404192295700 0.37500000000000 14.007 > 47 94 N 0.15516704617030 0.35404192295700 0.87500000000000 14.007 > 47 95 N 0.84483295382970 0.64595807704300 0.12500000000000 14.007 > 48 96 N 0.84483295382970 0.64595807704300 0.62500000000000 14.007 > 48 97 N 0.46639528858659 0.49923543679011 0.12500000000000 14.007 > 49 98 N 0.46639528858659 0.49923543679011 0.62500000000000 14.007 > 49 99 N 0.53360471141341 0.50076456320989 0.37500000000000 14.007 > 50 100 N 0.53360471141341 0.50076456320989 0.87500000000000 14.007 > 50 101 N 0.46639528858659 0.00076456320989 0.37500000000000 14.007 > 51 102 N 0.46639528858659 0.00076456320989 0.87500000000000 14.007 > 51 103 N 0.14135820661970 0.91408148819180 0.27033065141156 14.007 > 52 104 N 0.14135820661970 0.91408148819180 0.77033065141156 14.007 > 52 *105 La 0.34597841010783 0.08497047783987 0.49878574434364 138.905 > 53 106 La 0.34597841010783 0.08497047783987 0.99878574434364 138.905 > 53 107 La 0.65402158989217 0.91502952216013 0.24878574434364 138.905 > 54 108 La 0.65402158989217 0.91502952216013 0.74878574434364 138.905 > 54 109 La 0.34597841010783 0.41502952216013 0.00121425565636 138.905 > 55 110 La 0.34597841010783 0.41502952216013 0.50121425565636 138.905 > 55 111 La 0.65402158989217 0.58497047783987 0.25121425565636 138.905 > 56 112 La 0.65402158989217 0.58497047783987 0.75121425565636 138.905 > 56 113 La 0.65402158989217 0.91502952216013 0.00121425565636 138.905 > 57 114 La 0.65402158989217 0.91502952216013 0.50121425565636 138.905 > 57 115 La 0.34597841010783 0.08497047783987 0.25121425565636 138.905 > 58 116 La 0.34597841010783 0.08497047783987 0.75121425565636 138.905 > 58 117 La 0.65402158989217 0.58497047783987 0.49878574434364 138.905 > 59 118 La 0.65402158989217 0.58497047783987 0.99878574434364 138.905 > 59 119 La 0.34597841010783 0.41502952216013 0.24878574434364 138.905 > 60 120 La 0.34597841010783 0.41502952216013 0.74878574434364 138.905 > 60 *121 La 0.01125509864261 0.25000000000000 0.25000000000000 138.905 > 61 122 La 0.01125509864261 0.25000000000000 0.75000000000000 138.905 > 61 123 La 0.98874490135740 0.75000000000000 0.00000000000000 138.905 > 62 124 La 0.98874490135740 0.75000000000000 0.50000000000000 138.905 > 62 125 La 0.98874490135740 0.75000000000000 0.25000000000000 138.905 > 63 126 La 0.98874490135740 0.75000000000000 0.75000000000000 138.905 > 63 127 La 0.01125509864261 0.25000000000000 0.00000000000000 138.905 > 64 128 La 0.01125509864261 0.25000000000000 0.50000000000000 138.905 > 64 *129 La 0.99654475314287 0.99408268755217 0.12500000000000 138.905 > 65 130 La 0.99654475314287 0.99408268755217 0.62500000000000 138.905 > 65 131 La 0.00345524685713 0.00591731244783 0.37500000000000 138.905 > 66 132 La 0.00345524685713 0.00591731244783 0.87500000000000 138.905 > 66 133 La 0.99654475314287 0.50591731244783 0.37500000000000 138.905 > 67 134 La 0.99654475314287 0.50591731244783 0.87500000000000 138.905 > 67 135 La 0.00345524685713 0.49408268755217 0.12500000000000 138.905 > 68 136 La 0.00345524685713 0.49408268755217 0.62500000000000 138.905 > 68 *137 La 0.35840149983807 0.67803525999928 0.12500000000000 138.905 > 69 138 La 0.35840149983807 0.67803525999928 0.62500000000000 138.905 > 69 139 La 0.64159850016193 0.32196474000073 0.37500000000000 138.905 > 70 140 La 0.64159850016193 0.32196474000073 0.87500000000000 138.905 > 70 141 La 0.35840149983807 0.82196474000072 0.37500000000000 138.905 > 71 142 La 0.35840149983807 0.82196474000072 0.87500000000000 138.905 > 71 143 La 0.64159850016193 0.17803525999927 0.12500000000000 138.905 > 72 144 La 0.64159850016193 0.17803525999927 0.62500000000000 138.905 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7486861 0.0000000 0.0000000 0.0000000 7.7163313 0.0000000 0.0000000 0.0000000 7.2871712 -------------------------- Born effective charges -------------------------- 1 B 1.9329409 -0.9151475 0.0000000 -0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 2 B 2.6876518 -0.0249922 0.2204205 0.0425194 0.4576635 -0.9059704 0.0365126 -1.0444812 2.1798087 3 B 2.6876518 -0.0249922 -0.2204205 0.0425194 0.4576635 0.9059704 -0.0365126 1.0444812 2.1798087 4 B 2.6876518 0.0249922 -0.2204205 -0.0425194 0.4576635 -0.9059704 -0.0365126 -1.0444812 2.1798087 5 B 2.6876518 0.0249922 0.2204205 -0.0425194 0.4576635 0.9059704 0.0365126 1.0444812 2.1798087 6 B 2.6876518 -0.0249922 0.2204205 0.0425194 0.4576635 -0.9059704 0.0365126 -1.0444812 2.1798087 7 B 2.6876518 -0.0249922 -0.2204205 0.0425194 0.4576635 0.9059704 -0.0365126 1.0444812 2.1798087 8 B 2.6876518 0.0249922 -0.2204205 -0.0425194 0.4576635 -0.9059704 -0.0365126 -1.0444812 2.1798087 9 B 2.6876518 0.0249922 0.2204205 -0.0425194 0.4576635 0.9059704 0.0365126 1.0444812 2.1798087 10 B 1.9329409 0.9151475 0.0000000 0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 11 B 1.9329409 0.9151475 0.0000000 0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 12 B 1.9329409 -0.9151475 0.0000000 -0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 13 B 2.4799116 0.0084797 0.0000000 0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 14 B 2.4799116 0.0084797 0.0000000 0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 15 B 2.4799116 -0.0084797 0.0000000 -0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 16 B 2.4799116 -0.0084797 0.0000000 -0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 17 N -4.0614144 -0.2259178 0.0000000 -0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 18 N -3.3110814 -0.5034344 0.0000000 -0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 19 N -3.2702744 -0.2258570 0.6237882 0.0051785 -2.6918810 0.3945886 0.7352112 0.7341818 -3.2369950 20 N -3.2702744 -0.2258570 -0.6237882 0.0051785 -2.6918810 -0.3945886 -0.7352112 -0.7341818 -3.2369950 21 N -3.2702744 -0.2258570 -0.6237882 0.0051785 -2.6918810 -0.3945886 -0.7352112 -0.7341818 -3.2369950 22 N -3.2702744 -0.2258570 0.6237882 0.0051785 -2.6918810 0.3945886 0.7352112 0.7341818 -3.2369950 23 N -3.2702744 0.2258570 0.6237882 -0.0051785 -2.6918810 -0.3945886 0.7352112 -0.7341818 -3.2369950 24 N -3.2702744 0.2258570 -0.6237882 -0.0051785 -2.6918810 0.3945886 -0.7352112 0.7341818 -3.2369950 25 N -3.3492296 0.3175229 -0.4385142 0.0744824 -2.3755487 0.0961052 -0.4014779 -0.0875428 -2.8507700 26 N -3.2702744 0.2258570 -0.6237882 -0.0051785 -2.6918810 0.3945886 -0.7352112 0.7341818 -3.2369950 27 N -3.3492296 0.3175229 0.4385142 0.0744824 -2.3755487 -0.0961052 0.4014779 0.0875428 -2.8507700 28 N -3.3492296 -0.3175229 0.4385142 -0.0744824 -2.3755487 0.0961052 0.4014779 -0.0875428 -2.8507700 29 N -3.3492296 -0.3175229 -0.4385142 -0.0744824 -2.3755487 -0.0961052 -0.4014779 0.0875428 -2.8507700 30 N -3.3492296 0.3175229 -0.4385142 0.0744824 -2.3755487 0.0961052 -0.4014779 -0.0875428 -2.8507700 31 N -3.3492296 0.3175229 0.4385142 0.0744824 -2.3755487 -0.0961052 0.4014779 0.0875428 -2.8507700 32 N -3.3492296 -0.3175229 0.4385142 -0.0744824 -2.3755487 0.0961052 0.4014779 -0.0875428 -2.8507700 33 N -3.3492296 -0.3175229 -0.4385142 -0.0744824 -2.3755487 -0.0961052 -0.4014779 0.0875428 -2.8507700 34 N -4.0614144 0.2259178 0.0000000 0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 35 N -4.0614144 0.2259178 0.0000000 0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 36 N -4.0614144 -0.2259178 0.0000000 -0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 37 N -2.7392097 0.2448079 0.0000000 -0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 38 N -2.7392097 0.2448079 0.0000000 -0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 39 N -2.7392097 -0.2448079 0.0000000 0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 40 N -2.7392097 -0.2448079 0.0000000 0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 41 N -3.3763514 0.3236169 0.0000000 0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 42 N -3.3763514 0.3236169 0.0000000 0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 43 N -3.3763514 -0.3236169 0.0000000 -0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 44 N -3.3763514 -0.3236169 0.0000000 -0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 45 N -3.2937780 -0.6666328 0.0000000 -0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 46 N -3.2937780 -0.6666328 0.0000000 -0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 47 N -3.2937780 0.6666328 0.0000000 0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 48 N -3.2937780 0.6666328 0.0000000 0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 49 N -3.3110814 0.5034344 0.0000000 0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 50 N -3.3110814 0.5034344 0.0000000 0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 51 N -3.3110814 -0.5034344 0.0000000 -0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 52 N -3.2702744 0.2258570 0.6237882 -0.0051785 -2.6918810 -0.3945886 0.7352112 -0.7341818 -3.2369950 53 La 3.6226379 -0.3778579 -0.2764871 -0.6281088 3.9066265 -0.1011485 -0.1954355 0.0483770 4.4481366 54 La 3.6226379 -0.3778579 0.2764871 -0.6281088 3.9066265 0.1011485 0.1954355 -0.0483770 4.4481366 55 La 3.6226379 0.3778579 0.2764871 0.6281088 3.9066265 -0.1011485 0.1954355 0.0483770 4.4481366 56 La 3.6226379 0.3778579 -0.2764871 0.6281088 3.9066265 0.1011485 -0.1954355 -0.0483770 4.4481366 57 La 3.6226379 -0.3778579 -0.2764871 -0.6281088 3.9066265 -0.1011485 -0.1954355 0.0483770 4.4481366 58 La 3.6226379 -0.3778579 0.2764871 -0.6281088 3.9066265 0.1011485 0.1954355 -0.0483770 4.4481366 59 La 3.6226379 0.3778579 0.2764871 0.6281088 3.9066265 -0.1011485 0.1954355 0.0483770 4.4481366 60 La 3.6226379 0.3778579 -0.2764871 0.6281088 3.9066265 0.1011485 -0.1954355 -0.0483770 4.4481366 61 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 -0.2870476 0.0000000 -0.2553468 3.9599479 62 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 0.2870476 0.0000000 0.2553468 3.9599479 63 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 -0.2870476 0.0000000 -0.2553468 3.9599479 64 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 0.2870476 0.0000000 0.2553468 3.9599479 65 La 4.4265478 0.0875309 0.0000000 0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 66 La 4.4265478 0.0875309 0.0000000 0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 67 La 4.4265478 -0.0875309 0.0000000 -0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 68 La 4.4265478 -0.0875309 0.0000000 -0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 69 La 4.6993021 -0.2785898 0.0000000 -0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 70 La 4.6993021 -0.2785898 0.0000000 -0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 71 La 4.6993021 0.2785898 0.0000000 0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 72 La 4.6993021 0.2785898 0.0000000 0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6076 Number of blocks in projector: 6076 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: 1456 Use submatrix version of eigh solver. (1) Block: 500 / 1456 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1456 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1456 / 1456 (1) 433 eigenvectors found. (1) Complementary block size: 75 (1) Compute compressed projector. (1) Use standard solver. (1) 49 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1136 / 1136 (1) 128 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1132 Use submatrix version of eigh solver. (1) Block: 500 / 1132 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1000 / 1132 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1132 / 1132 (1) 125 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 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: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (6076, 5990), data: False |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (1132, 1124), data: False |-- (1132, 15), data: (1132, 23) @ (23, 15) |-- (132, 125), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (1136, 1126), data: False |-- (1136, 18), data: (1136, 28) @ (28, 18) |-- (136, 128), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1456, 1430), data: False |-- (1456, 49), data: (1456, 75) @ (75, 49) |-- (456, 433), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 474), data: False |-- (500, 21), data: (500, 47) @ (47, 21) |-- (250, 228), data: True |-- (250, 225), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.767 Solver_block: 200 / 1120 - Time: 1.550 Solver_block: 300 / 1120 - Time: 1.560 Solver_block: 400 / 1120 - Time: 1.560 Solver_block: 500 / 1120 - Time: 1.559 Solver_block: 600 / 1120 - Time: 1.556 Solver_block: 700 / 1120 - Time: 1.558 Solver_block: 800 / 1120 - Time: 1.561 Solver_block: 900 / 1120 - Time: 1.558 Solver_block: 1000 / 1120 - Time: 1.560 Solver_block: 1100 / 1120 - Time: 1.562 Solver_block: 1120 / 1120 - Time: 0.501 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.364 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6076 Number of blocks in projector: 6076 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: 1456 Use submatrix version of eigh solver. (1) Block: 500 / 1456 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1456 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1456 / 1456 (1) 433 eigenvectors found. (1) Complementary block size: 75 (1) Compute compressed projector. (1) Use standard solver. (1) 49 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1136 Use submatrix version of eigh solver. (1) Block: 500 / 1136 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1000 / 1136 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1136 / 1136 (1) 128 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1132 Use submatrix version of eigh solver. (1) Block: 500 / 1132 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1000 / 1132 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 1132 / 1132 (1) 125 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 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: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (6076, 5990), data: False |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (1132, 1124), data: False |-- (1132, 15), data: (1132, 23) @ (23, 15) |-- (132, 125), data: True |-- (500, 492), data: False |-- (500, 6), data: (500, 14) @ (14, 6) |-- (250, 244), data: True |-- (250, 242), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (1136, 1126), data: False |-- (1136, 18), data: (1136, 28) @ (28, 18) |-- (136, 128), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1456, 1430), data: False |-- (1456, 49), data: (1456, 75) @ (75, 49) |-- (456, 433), data: True |-- (500, 474), data: False |-- (500, 22), data: (500, 48) @ (48, 22) |-- (250, 226), data: True |-- (250, 226), data: True |-- (500, 474), data: False |-- (500, 21), data: (500, 47) @ (47, 21) |-- (250, 228), data: True |-- (250, 225), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:17:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:17:55]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.712584160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.513410609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.628498300000000 Atomic positions (fractional): 1 B 0.43543687351332 0.58690146208248 0.75000000000000 10.811 2 B 0.22610055599901 0.86998538278060 0.09283109010664 10.811 3 B 0.77389944400099 0.13001461721940 0.59283109010664 10.811 4 B 0.22610055599901 0.63001461721940 0.90716890989336 10.811 5 B 0.77389944400099 0.36998538278060 0.40716890989336 10.811 6 B 0.77389944400099 0.13001461721940 0.90716890989336 10.811 7 B 0.22610055599901 0.86998538278060 0.40716890989336 10.811 8 B 0.77389944400099 0.36998538278060 0.09283109010664 10.811 9 B 0.22610055599901 0.63001461721940 0.59283109010664 10.811 10 B 0.43543687351332 0.91309853791752 0.25000000000000 10.811 11 B 0.56456312648668 0.08690146208248 0.75000000000000 10.811 12 B 0.56456312648668 0.41309853791752 0.25000000000000 10.811 13 B 0.75463886847133 0.74188690846981 0.25000000000000 10.811 14 B 0.24536113152867 0.25811309153019 0.75000000000000 10.811 15 B 0.75463886847133 0.75811309153019 0.75000000000000 10.811 16 B 0.24536113152867 0.24188690846981 0.25000000000000 10.811 17 N 0.60563160270103 0.72739198757575 0.25000000000000 14.007 18 N 0.53360471141341 0.99923543679011 0.25000000000000 14.007 19 N 0.85864179338030 0.41408148819180 0.95933869717689 14.007 20 N 0.14135820661970 0.58591851180820 0.45933869717689 14.007 21 N 0.85864179338030 0.41408148819180 0.54066130282311 14.007 22 N 0.14135820661970 0.58591851180820 0.04066130282311 14.007 23 N 0.85864179338030 0.08591851180820 0.45933869717689 14.007 24 N 0.14135820661970 0.91408148819180 0.95933869717689 14.007 25 N 0.37714096637855 0.62169654273419 0.58116652154648 14.007 26 N 0.85864179338030 0.08591851180820 0.04066130282311 14.007 27 N 0.62285903362145 0.37830345726581 0.08116652154648 14.007 28 N 0.37714096637855 0.87830345726581 0.41883347845352 14.007 29 N 0.62285903362145 0.12169654273419 0.91883347845352 14.007 30 N 0.62285903362145 0.37830345726581 0.41883347845352 14.007 31 N 0.37714096637855 0.62169654273419 0.91883347845352 14.007 32 N 0.62285903362145 0.12169654273419 0.58116652154648 14.007 33 N 0.37714096637855 0.87830345726581 0.08116652154648 14.007 34 N 0.39436839729897 0.22739198757575 0.25000000000000 14.007 35 N 0.60563160270103 0.77260801242425 0.75000000000000 14.007 36 N 0.39436839729897 0.27260801242424 0.75000000000000 14.007 37 N 0.15841614628802 0.82230593508135 0.25000000000000 14.007 38 N 0.84158385371198 0.17769406491865 0.75000000000000 14.007 39 N 0.15841614628802 0.67769406491865 0.75000000000000 14.007 40 N 0.84158385371198 0.32230593508135 0.25000000000000 14.007 41 N 0.17821197406994 0.34791404784491 0.25000000000000 14.007 42 N 0.82178802593006 0.65208595215509 0.75000000000000 14.007 43 N 0.17821197406994 0.15208595215509 0.75000000000000 14.007 44 N 0.82178802593006 0.84791404784491 0.25000000000000 14.007 45 N 0.15516704617030 0.14595807704300 0.25000000000000 14.007 46 N 0.84483295382970 0.85404192295700 0.75000000000000 14.007 47 N 0.15516704617030 0.35404192295700 0.75000000000000 14.007 48 N 0.84483295382970 0.64595807704300 0.25000000000000 14.007 49 N 0.46639528858659 0.49923543679011 0.25000000000000 14.007 50 N 0.53360471141341 0.50076456320989 0.75000000000000 14.007 51 N 0.46639528858659 0.00076456320989 0.75000000000000 14.007 52 N 0.14135820661970 0.91408148819180 0.54066130282311 14.007 53 La 0.34597841010783 0.08497047783987 0.99757148868728 138.905 54 La 0.65402158989217 0.91502952216013 0.49757148868729 138.905 55 La 0.34597841010783 0.41502952216013 0.00242851131272 138.905 56 La 0.65402158989217 0.58497047783987 0.50242851131272 138.905 57 La 0.65402158989217 0.91502952216013 0.00242851131272 138.905 58 La 0.34597841010783 0.08497047783987 0.50242851131272 138.905 59 La 0.65402158989217 0.58497047783987 0.99757148868728 138.905 60 La 0.34597841010783 0.41502952216013 0.49757148868729 138.905 61 La 0.01125509864261 0.25000000000000 0.50000000000000 138.905 62 La 0.98874490135740 0.75000000000000 0.00000000000000 138.905 63 La 0.98874490135740 0.75000000000000 0.50000000000000 138.905 64 La 0.01125509864261 0.25000000000000 0.00000000000000 138.905 65 La 0.99654475314287 0.99408268755217 0.25000000000000 138.905 66 La 0.00345524685713 0.00591731244783 0.75000000000000 138.905 67 La 0.99654475314287 0.50591731244783 0.75000000000000 138.905 68 La 0.00345524685713 0.49408268755217 0.25000000000000 138.905 69 La 0.35840149983807 0.67803525999928 0.25000000000000 138.905 70 La 0.64159850016193 0.32196474000073 0.75000000000000 138.905 71 La 0.35840149983807 0.82196474000072 0.75000000000000 138.905 72 La 0.64159850016193 0.17803525999927 0.25000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.712584160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.513410609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.256996600000001 Atomic positions (fractional): 1 B 0.43543687351332 0.58690146208248 0.37500000000000 10.811 > 1 2 B 0.43543687351332 0.58690146208248 0.87500000000000 10.811 > 1 3 B 0.22610055599901 0.86998538278060 0.04641554505332 10.811 > 3 4 B 0.22610055599901 0.86998538278060 0.54641554505332 10.811 > 3 5 B 0.77389944400099 0.13001461721940 0.29641554505332 10.811 > 5 6 B 0.77389944400099 0.13001461721940 0.79641554505332 10.811 > 5 7 B 0.22610055599901 0.63001461721940 0.45358445494668 10.811 > 7 8 B 0.22610055599901 0.63001461721940 0.95358445494668 10.811 > 7 9 B 0.77389944400099 0.36998538278060 0.20358445494668 10.811 > 9 10 B 0.77389944400099 0.36998538278060 0.70358445494668 10.811 > 9 11 B 0.77389944400099 0.13001461721940 0.45358445494668 10.811 > 11 12 B 0.77389944400099 0.13001461721940 0.95358445494668 10.811 > 11 13 B 0.22610055599901 0.86998538278060 0.20358445494668 10.811 > 13 14 B 0.22610055599901 0.86998538278060 0.70358445494668 10.811 > 13 15 B 0.77389944400099 0.36998538278060 0.04641554505332 10.811 > 15 16 B 0.77389944400099 0.36998538278060 0.54641554505332 10.811 > 15 17 B 0.22610055599901 0.63001461721940 0.29641554505332 10.811 > 17 18 B 0.22610055599901 0.63001461721940 0.79641554505332 10.811 > 17 19 B 0.43543687351332 0.91309853791752 0.12500000000000 10.811 > 19 20 B 0.43543687351332 0.91309853791752 0.62500000000000 10.811 > 19 21 B 0.56456312648668 0.08690146208248 0.37500000000000 10.811 > 21 22 B 0.56456312648668 0.08690146208248 0.87500000000000 10.811 > 21 23 B 0.56456312648668 0.41309853791752 0.12500000000000 10.811 > 23 24 B 0.56456312648668 0.41309853791752 0.62500000000000 10.811 > 23 25 B 0.75463886847133 0.74188690846981 0.12500000000000 10.811 > 25 26 B 0.75463886847133 0.74188690846981 0.62500000000000 10.811 > 25 27 B 0.24536113152867 0.25811309153019 0.37500000000000 10.811 > 27 28 B 0.24536113152867 0.25811309153019 0.87500000000000 10.811 > 27 29 B 0.75463886847133 0.75811309153019 0.37500000000000 10.811 > 29 30 B 0.75463886847133 0.75811309153019 0.87500000000000 10.811 > 29 31 B 0.24536113152867 0.24188690846981 0.12500000000000 10.811 > 31 32 B 0.24536113152867 0.24188690846981 0.62500000000000 10.811 > 31 33 N 0.60563160270103 0.72739198757575 0.12500000000000 14.007 > 33 34 N 0.60563160270103 0.72739198757575 0.62500000000000 14.007 > 33 35 N 0.53360471141341 0.99923543679011 0.12500000000000 14.007 > 35 36 N 0.53360471141341 0.99923543679011 0.62500000000000 14.007 > 35 37 N 0.85864179338030 0.41408148819180 0.47966934858844 14.007 > 37 38 N 0.85864179338030 0.41408148819180 0.97966934858844 14.007 > 37 39 N 0.14135820661970 0.58591851180820 0.22966934858844 14.007 > 39 40 N 0.14135820661970 0.58591851180820 0.72966934858844 14.007 > 39 41 N 0.85864179338030 0.41408148819180 0.27033065141156 14.007 > 41 42 N 0.85864179338030 0.41408148819180 0.77033065141156 14.007 > 41 43 N 0.14135820661970 0.58591851180820 0.02033065141156 14.007 > 43 44 N 0.14135820661970 0.58591851180820 0.52033065141156 14.007 > 43 45 N 0.85864179338030 0.08591851180820 0.22966934858844 14.007 > 45 46 N 0.85864179338030 0.08591851180820 0.72966934858844 14.007 > 45 47 N 0.14135820661970 0.91408148819180 0.47966934858844 14.007 > 47 48 N 0.14135820661970 0.91408148819180 0.97966934858844 14.007 > 47 49 N 0.37714096637855 0.62169654273419 0.29058326077324 14.007 > 49 50 N 0.37714096637855 0.62169654273419 0.79058326077324 14.007 > 49 51 N 0.85864179338030 0.08591851180820 0.02033065141156 14.007 > 51 52 N 0.85864179338030 0.08591851180820 0.52033065141156 14.007 > 51 53 N 0.62285903362145 0.37830345726581 0.04058326077324 14.007 > 53 54 N 0.62285903362145 0.37830345726581 0.54058326077324 14.007 > 53 55 N 0.37714096637855 0.87830345726581 0.20941673922676 14.007 > 55 56 N 0.37714096637855 0.87830345726581 0.70941673922676 14.007 > 55 57 N 0.62285903362145 0.12169654273419 0.45941673922676 14.007 > 57 58 N 0.62285903362145 0.12169654273419 0.95941673922676 14.007 > 57 59 N 0.62285903362145 0.37830345726581 0.20941673922676 14.007 > 59 60 N 0.62285903362145 0.37830345726581 0.70941673922676 14.007 > 59 61 N 0.37714096637855 0.62169654273419 0.45941673922676 14.007 > 61 62 N 0.37714096637855 0.62169654273419 0.95941673922676 14.007 > 61 63 N 0.62285903362145 0.12169654273419 0.29058326077324 14.007 > 63 64 N 0.62285903362145 0.12169654273419 0.79058326077324 14.007 > 63 65 N 0.37714096637855 0.87830345726581 0.04058326077324 14.007 > 65 66 N 0.37714096637855 0.87830345726581 0.54058326077324 14.007 > 65 67 N 0.39436839729897 0.22739198757575 0.12500000000000 14.007 > 67 68 N 0.39436839729897 0.22739198757575 0.62500000000000 14.007 > 67 69 N 0.60563160270103 0.77260801242425 0.37500000000000 14.007 > 69 70 N 0.60563160270103 0.77260801242425 0.87500000000000 14.007 > 69 71 N 0.39436839729897 0.27260801242424 0.37500000000000 14.007 > 71 72 N 0.39436839729897 0.27260801242424 0.87500000000000 14.007 > 71 73 N 0.15841614628802 0.82230593508135 0.12500000000000 14.007 > 73 74 N 0.15841614628802 0.82230593508135 0.62500000000000 14.007 > 73 75 N 0.84158385371198 0.17769406491865 0.37500000000000 14.007 > 75 76 N 0.84158385371198 0.17769406491865 0.87500000000000 14.007 > 75 77 N 0.15841614628802 0.67769406491865 0.37500000000000 14.007 > 77 78 N 0.15841614628802 0.67769406491865 0.87500000000000 14.007 > 77 79 N 0.84158385371198 0.32230593508135 0.12500000000000 14.007 > 79 80 N 0.84158385371198 0.32230593508135 0.62500000000000 14.007 > 79 81 N 0.17821197406994 0.34791404784491 0.12500000000000 14.007 > 81 82 N 0.17821197406994 0.34791404784491 0.62500000000000 14.007 > 81 83 N 0.82178802593006 0.65208595215509 0.37500000000000 14.007 > 83 84 N 0.82178802593006 0.65208595215509 0.87500000000000 14.007 > 83 85 N 0.17821197406994 0.15208595215509 0.37500000000000 14.007 > 85 86 N 0.17821197406994 0.15208595215509 0.87500000000000 14.007 > 85 87 N 0.82178802593006 0.84791404784491 0.12500000000000 14.007 > 87 88 N 0.82178802593006 0.84791404784491 0.62500000000000 14.007 > 87 89 N 0.15516704617030 0.14595807704300 0.12500000000000 14.007 > 89 90 N 0.15516704617030 0.14595807704300 0.62500000000000 14.007 > 89 91 N 0.84483295382970 0.85404192295700 0.37500000000000 14.007 > 91 92 N 0.84483295382970 0.85404192295700 0.87500000000000 14.007 > 91 93 N 0.15516704617030 0.35404192295700 0.37500000000000 14.007 > 93 94 N 0.15516704617030 0.35404192295700 0.87500000000000 14.007 > 93 95 N 0.84483295382970 0.64595807704300 0.12500000000000 14.007 > 95 96 N 0.84483295382970 0.64595807704300 0.62500000000000 14.007 > 95 97 N 0.46639528858659 0.49923543679011 0.12500000000000 14.007 > 97 98 N 0.46639528858659 0.49923543679011 0.62500000000000 14.007 > 97 99 N 0.53360471141341 0.50076456320989 0.37500000000000 14.007 > 99 100 N 0.53360471141341 0.50076456320989 0.87500000000000 14.007 > 99 101 N 0.46639528858659 0.00076456320989 0.37500000000000 14.007 > 101 102 N 0.46639528858659 0.00076456320989 0.87500000000000 14.007 > 101 103 N 0.14135820661970 0.91408148819180 0.27033065141156 14.007 > 103 104 N 0.14135820661970 0.91408148819180 0.77033065141156 14.007 > 103 105 La 0.34597841010783 0.08497047783987 0.49878574434364 138.905 > 105 106 La 0.34597841010783 0.08497047783987 0.99878574434364 138.905 > 105 107 La 0.65402158989217 0.91502952216013 0.24878574434364 138.905 > 107 108 La 0.65402158989217 0.91502952216013 0.74878574434364 138.905 > 107 109 La 0.34597841010783 0.41502952216013 0.00121425565636 138.905 > 109 110 La 0.34597841010783 0.41502952216013 0.50121425565636 138.905 > 109 111 La 0.65402158989217 0.58497047783987 0.25121425565636 138.905 > 111 112 La 0.65402158989217 0.58497047783987 0.75121425565636 138.905 > 111 113 La 0.65402158989217 0.91502952216013 0.00121425565636 138.905 > 113 114 La 0.65402158989217 0.91502952216013 0.50121425565636 138.905 > 113 115 La 0.34597841010783 0.08497047783987 0.25121425565636 138.905 > 115 116 La 0.34597841010783 0.08497047783987 0.75121425565636 138.905 > 115 117 La 0.65402158989217 0.58497047783987 0.49878574434364 138.905 > 117 118 La 0.65402158989217 0.58497047783987 0.99878574434364 138.905 > 117 119 La 0.34597841010783 0.41502952216013 0.24878574434364 138.905 > 119 120 La 0.34597841010783 0.41502952216013 0.74878574434364 138.905 > 119 121 La 0.01125509864261 0.25000000000000 0.25000000000000 138.905 > 121 122 La 0.01125509864261 0.25000000000000 0.75000000000000 138.905 > 121 123 La 0.98874490135740 0.75000000000000 0.00000000000000 138.905 > 123 124 La 0.98874490135740 0.75000000000000 0.50000000000000 138.905 > 123 125 La 0.98874490135740 0.75000000000000 0.25000000000000 138.905 > 125 126 La 0.98874490135740 0.75000000000000 0.75000000000000 138.905 > 125 127 La 0.01125509864261 0.25000000000000 0.00000000000000 138.905 > 127 128 La 0.01125509864261 0.25000000000000 0.50000000000000 138.905 > 127 129 La 0.99654475314287 0.99408268755217 0.12500000000000 138.905 > 129 130 La 0.99654475314287 0.99408268755217 0.62500000000000 138.905 > 129 131 La 0.00345524685713 0.00591731244783 0.37500000000000 138.905 > 131 132 La 0.00345524685713 0.00591731244783 0.87500000000000 138.905 > 131 133 La 0.99654475314287 0.50591731244783 0.37500000000000 138.905 > 133 134 La 0.99654475314287 0.50591731244783 0.87500000000000 138.905 > 133 135 La 0.00345524685713 0.49408268755217 0.12500000000000 138.905 > 135 136 La 0.00345524685713 0.49408268755217 0.62500000000000 138.905 > 135 137 La 0.35840149983807 0.67803525999928 0.12500000000000 138.905 > 137 138 La 0.35840149983807 0.67803525999928 0.62500000000000 138.905 > 137 139 La 0.64159850016193 0.32196474000073 0.37500000000000 138.905 > 139 140 La 0.64159850016193 0.32196474000073 0.87500000000000 138.905 > 139 141 La 0.35840149983807 0.82196474000072 0.37500000000000 138.905 > 141 142 La 0.35840149983807 0.82196474000072 0.87500000000000 138.905 > 141 143 La 0.64159850016193 0.17803525999927 0.12500000000000 138.905 > 143 144 La 0.64159850016193 0.17803525999927 0.62500000000000 138.905 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7486861 0.0000000 0.0000000 0.0000000 7.7163313 0.0000000 0.0000000 0.0000000 7.2871712 -------------------------- Born effective charges -------------------------- 1 B 1.9329409 -0.9151475 0.0000000 -0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 2 B 2.6876518 -0.0249922 0.2204205 0.0425194 0.4576635 -0.9059704 0.0365126 -1.0444812 2.1798087 3 B 2.6876518 -0.0249922 -0.2204205 0.0425194 0.4576635 0.9059704 -0.0365126 1.0444812 2.1798087 4 B 2.6876518 0.0249922 -0.2204205 -0.0425194 0.4576635 -0.9059704 -0.0365126 -1.0444812 2.1798087 5 B 2.6876518 0.0249922 0.2204205 -0.0425194 0.4576635 0.9059704 0.0365126 1.0444812 2.1798087 6 B 2.6876518 -0.0249922 0.2204205 0.0425194 0.4576635 -0.9059704 0.0365126 -1.0444812 2.1798087 7 B 2.6876518 -0.0249922 -0.2204205 0.0425194 0.4576635 0.9059704 -0.0365126 1.0444812 2.1798087 8 B 2.6876518 0.0249922 -0.2204205 -0.0425194 0.4576635 -0.9059704 -0.0365126 -1.0444812 2.1798087 9 B 2.6876518 0.0249922 0.2204205 -0.0425194 0.4576635 0.9059704 0.0365126 1.0444812 2.1798087 10 B 1.9329409 0.9151475 0.0000000 0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 11 B 1.9329409 0.9151475 0.0000000 0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 12 B 1.9329409 -0.9151475 0.0000000 -0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 13 B 2.4799116 0.0084797 0.0000000 0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 14 B 2.4799116 0.0084797 0.0000000 0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 15 B 2.4799116 -0.0084797 0.0000000 -0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 16 B 2.4799116 -0.0084797 0.0000000 -0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 17 N -4.0614144 -0.2259178 0.0000000 -0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 18 N -3.3110814 -0.5034344 0.0000000 -0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 19 N -3.2702744 -0.2258570 0.6237882 0.0051785 -2.6918810 0.3945886 0.7352112 0.7341818 -3.2369950 20 N -3.2702744 -0.2258570 -0.6237882 0.0051785 -2.6918810 -0.3945886 -0.7352112 -0.7341818 -3.2369950 21 N -3.2702744 -0.2258570 -0.6237882 0.0051785 -2.6918810 -0.3945886 -0.7352112 -0.7341818 -3.2369950 22 N -3.2702744 -0.2258570 0.6237882 0.0051785 -2.6918810 0.3945886 0.7352112 0.7341818 -3.2369950 23 N -3.2702744 0.2258570 0.6237882 -0.0051785 -2.6918810 -0.3945886 0.7352112 -0.7341818 -3.2369950 24 N -3.2702744 0.2258570 -0.6237882 -0.0051785 -2.6918810 0.3945886 -0.7352112 0.7341818 -3.2369950 25 N -3.3492296 0.3175229 -0.4385142 0.0744824 -2.3755487 0.0961052 -0.4014779 -0.0875428 -2.8507700 26 N -3.2702744 0.2258570 -0.6237882 -0.0051785 -2.6918810 0.3945886 -0.7352112 0.7341818 -3.2369950 27 N -3.3492296 0.3175229 0.4385142 0.0744824 -2.3755487 -0.0961052 0.4014779 0.0875428 -2.8507700 28 N -3.3492296 -0.3175229 0.4385142 -0.0744824 -2.3755487 0.0961052 0.4014779 -0.0875428 -2.8507700 29 N -3.3492296 -0.3175229 -0.4385142 -0.0744824 -2.3755487 -0.0961052 -0.4014779 0.0875428 -2.8507700 30 N -3.3492296 0.3175229 -0.4385142 0.0744824 -2.3755487 0.0961052 -0.4014779 -0.0875428 -2.8507700 31 N -3.3492296 0.3175229 0.4385142 0.0744824 -2.3755487 -0.0961052 0.4014779 0.0875428 -2.8507700 32 N -3.3492296 -0.3175229 0.4385142 -0.0744824 -2.3755487 0.0961052 0.4014779 -0.0875428 -2.8507700 33 N -3.3492296 -0.3175229 -0.4385142 -0.0744824 -2.3755487 -0.0961052 -0.4014779 0.0875428 -2.8507700 34 N -4.0614144 0.2259178 0.0000000 0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 35 N -4.0614144 0.2259178 0.0000000 0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 36 N -4.0614144 -0.2259178 0.0000000 -0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 37 N -2.7392097 0.2448079 0.0000000 -0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 38 N -2.7392097 0.2448079 0.0000000 -0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 39 N -2.7392097 -0.2448079 0.0000000 0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 40 N -2.7392097 -0.2448079 0.0000000 0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 41 N -3.3763514 0.3236169 0.0000000 0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 42 N -3.3763514 0.3236169 0.0000000 0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 43 N -3.3763514 -0.3236169 0.0000000 -0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 44 N -3.3763514 -0.3236169 0.0000000 -0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 45 N -3.2937780 -0.6666328 0.0000000 -0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 46 N -3.2937780 -0.6666328 0.0000000 -0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 47 N -3.2937780 0.6666328 0.0000000 0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 48 N -3.2937780 0.6666328 0.0000000 0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 49 N -3.3110814 0.5034344 0.0000000 0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 50 N -3.3110814 0.5034344 0.0000000 0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 51 N -3.3110814 -0.5034344 0.0000000 -0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 52 N -3.2702744 0.2258570 0.6237882 -0.0051785 -2.6918810 -0.3945886 0.7352112 -0.7341818 -3.2369950 53 La 3.6226379 -0.3778579 -0.2764871 -0.6281088 3.9066265 -0.1011485 -0.1954355 0.0483770 4.4481366 54 La 3.6226379 -0.3778579 0.2764871 -0.6281088 3.9066265 0.1011485 0.1954355 -0.0483770 4.4481366 55 La 3.6226379 0.3778579 0.2764871 0.6281088 3.9066265 -0.1011485 0.1954355 0.0483770 4.4481366 56 La 3.6226379 0.3778579 -0.2764871 0.6281088 3.9066265 0.1011485 -0.1954355 -0.0483770 4.4481366 57 La 3.6226379 -0.3778579 -0.2764871 -0.6281088 3.9066265 -0.1011485 -0.1954355 0.0483770 4.4481366 58 La 3.6226379 -0.3778579 0.2764871 -0.6281088 3.9066265 0.1011485 0.1954355 -0.0483770 4.4481366 59 La 3.6226379 0.3778579 0.2764871 0.6281088 3.9066265 -0.1011485 0.1954355 0.0483770 4.4481366 60 La 3.6226379 0.3778579 -0.2764871 0.6281088 3.9066265 0.1011485 -0.1954355 -0.0483770 4.4481366 61 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 -0.2870476 0.0000000 -0.2553468 3.9599479 62 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 0.2870476 0.0000000 0.2553468 3.9599479 63 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 -0.2870476 0.0000000 -0.2553468 3.9599479 64 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 0.2870476 0.0000000 0.2553468 3.9599479 65 La 4.4265478 0.0875309 0.0000000 0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 66 La 4.4265478 0.0875309 0.0000000 0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 67 La 4.4265478 -0.0875309 0.0000000 -0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 68 La 4.4265478 -0.0875309 0.0000000 -0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 69 La 4.6993021 -0.2785898 0.0000000 -0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 70 La 4.6993021 -0.2785898 0.0000000 -0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 71 La 4.6993021 0.2785898 0.0000000 0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 72 La 4.6993021 0.2785898 0.0000000 0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 137, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:19:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:19:19]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcm (57) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.712584160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.513410609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.628498300000000 Atomic positions (fractional): 1 B 0.43543687351332 0.58690146208248 0.75000000000000 10.811 2 B 0.22610055599901 0.86998538278060 0.09283109010664 10.811 3 B 0.77389944400099 0.13001461721940 0.59283109010664 10.811 4 B 0.22610055599901 0.63001461721940 0.90716890989336 10.811 5 B 0.77389944400099 0.36998538278060 0.40716890989336 10.811 6 B 0.77389944400099 0.13001461721940 0.90716890989336 10.811 7 B 0.22610055599901 0.86998538278060 0.40716890989336 10.811 8 B 0.77389944400099 0.36998538278060 0.09283109010664 10.811 9 B 0.22610055599901 0.63001461721940 0.59283109010664 10.811 10 B 0.43543687351332 0.91309853791752 0.25000000000000 10.811 11 B 0.56456312648668 0.08690146208248 0.75000000000000 10.811 12 B 0.56456312648668 0.41309853791752 0.25000000000000 10.811 13 B 0.75463886847133 0.74188690846981 0.25000000000000 10.811 14 B 0.24536113152867 0.25811309153019 0.75000000000000 10.811 15 B 0.75463886847133 0.75811309153019 0.75000000000000 10.811 16 B 0.24536113152867 0.24188690846981 0.25000000000000 10.811 17 N 0.60563160270103 0.72739198757575 0.25000000000000 14.007 18 N 0.53360471141341 0.99923543679011 0.25000000000000 14.007 19 N 0.85864179338030 0.41408148819180 0.95933869717689 14.007 20 N 0.14135820661970 0.58591851180820 0.45933869717689 14.007 21 N 0.85864179338030 0.41408148819180 0.54066130282311 14.007 22 N 0.14135820661970 0.58591851180820 0.04066130282311 14.007 23 N 0.85864179338030 0.08591851180820 0.45933869717689 14.007 24 N 0.14135820661970 0.91408148819180 0.95933869717689 14.007 25 N 0.37714096637855 0.62169654273419 0.58116652154648 14.007 26 N 0.85864179338030 0.08591851180820 0.04066130282311 14.007 27 N 0.62285903362145 0.37830345726581 0.08116652154648 14.007 28 N 0.37714096637855 0.87830345726581 0.41883347845352 14.007 29 N 0.62285903362145 0.12169654273419 0.91883347845352 14.007 30 N 0.62285903362145 0.37830345726581 0.41883347845352 14.007 31 N 0.37714096637855 0.62169654273419 0.91883347845352 14.007 32 N 0.62285903362145 0.12169654273419 0.58116652154648 14.007 33 N 0.37714096637855 0.87830345726581 0.08116652154648 14.007 34 N 0.39436839729897 0.22739198757575 0.25000000000000 14.007 35 N 0.60563160270103 0.77260801242425 0.75000000000000 14.007 36 N 0.39436839729897 0.27260801242424 0.75000000000000 14.007 37 N 0.15841614628802 0.82230593508135 0.25000000000000 14.007 38 N 0.84158385371198 0.17769406491865 0.75000000000000 14.007 39 N 0.15841614628802 0.67769406491865 0.75000000000000 14.007 40 N 0.84158385371198 0.32230593508135 0.25000000000000 14.007 41 N 0.17821197406994 0.34791404784491 0.25000000000000 14.007 42 N 0.82178802593006 0.65208595215509 0.75000000000000 14.007 43 N 0.17821197406994 0.15208595215509 0.75000000000000 14.007 44 N 0.82178802593006 0.84791404784491 0.25000000000000 14.007 45 N 0.15516704617030 0.14595807704300 0.25000000000000 14.007 46 N 0.84483295382970 0.85404192295700 0.75000000000000 14.007 47 N 0.15516704617030 0.35404192295700 0.75000000000000 14.007 48 N 0.84483295382970 0.64595807704300 0.25000000000000 14.007 49 N 0.46639528858659 0.49923543679011 0.25000000000000 14.007 50 N 0.53360471141341 0.50076456320989 0.75000000000000 14.007 51 N 0.46639528858659 0.00076456320989 0.75000000000000 14.007 52 N 0.14135820661970 0.91408148819180 0.54066130282311 14.007 53 La 0.34597841010783 0.08497047783987 0.99757148868728 138.905 54 La 0.65402158989217 0.91502952216013 0.49757148868729 138.905 55 La 0.34597841010783 0.41502952216013 0.00242851131272 138.905 56 La 0.65402158989217 0.58497047783987 0.50242851131272 138.905 57 La 0.65402158989217 0.91502952216013 0.00242851131272 138.905 58 La 0.34597841010783 0.08497047783987 0.50242851131272 138.905 59 La 0.65402158989217 0.58497047783987 0.99757148868728 138.905 60 La 0.34597841010783 0.41502952216013 0.49757148868729 138.905 61 La 0.01125509864261 0.25000000000000 0.50000000000000 138.905 62 La 0.98874490135740 0.75000000000000 0.00000000000000 138.905 63 La 0.98874490135740 0.75000000000000 0.50000000000000 138.905 64 La 0.01125509864261 0.25000000000000 0.00000000000000 138.905 65 La 0.99654475314287 0.99408268755217 0.25000000000000 138.905 66 La 0.00345524685713 0.00591731244783 0.75000000000000 138.905 67 La 0.99654475314287 0.50591731244783 0.75000000000000 138.905 68 La 0.00345524685713 0.49408268755217 0.25000000000000 138.905 69 La 0.35840149983807 0.67803525999928 0.25000000000000 138.905 70 La 0.64159850016193 0.32196474000073 0.75000000000000 138.905 71 La 0.35840149983807 0.82196474000072 0.75000000000000 138.905 72 La 0.64159850016193 0.17803525999927 0.25000000000000 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.712584160000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.513410609999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.256996600000001 Atomic positions (fractional): 1 B 0.43543687351332 0.58690146208248 0.37500000000000 10.811 > 1 2 B 0.43543687351332 0.58690146208248 0.87500000000000 10.811 > 1 3 B 0.22610055599901 0.86998538278060 0.04641554505332 10.811 > 3 4 B 0.22610055599901 0.86998538278060 0.54641554505332 10.811 > 3 5 B 0.77389944400099 0.13001461721940 0.29641554505332 10.811 > 5 6 B 0.77389944400099 0.13001461721940 0.79641554505332 10.811 > 5 7 B 0.22610055599901 0.63001461721940 0.45358445494668 10.811 > 7 8 B 0.22610055599901 0.63001461721940 0.95358445494668 10.811 > 7 9 B 0.77389944400099 0.36998538278060 0.20358445494668 10.811 > 9 10 B 0.77389944400099 0.36998538278060 0.70358445494668 10.811 > 9 11 B 0.77389944400099 0.13001461721940 0.45358445494668 10.811 > 11 12 B 0.77389944400099 0.13001461721940 0.95358445494668 10.811 > 11 13 B 0.22610055599901 0.86998538278060 0.20358445494668 10.811 > 13 14 B 0.22610055599901 0.86998538278060 0.70358445494668 10.811 > 13 15 B 0.77389944400099 0.36998538278060 0.04641554505332 10.811 > 15 16 B 0.77389944400099 0.36998538278060 0.54641554505332 10.811 > 15 17 B 0.22610055599901 0.63001461721940 0.29641554505332 10.811 > 17 18 B 0.22610055599901 0.63001461721940 0.79641554505332 10.811 > 17 19 B 0.43543687351332 0.91309853791752 0.12500000000000 10.811 > 19 20 B 0.43543687351332 0.91309853791752 0.62500000000000 10.811 > 19 21 B 0.56456312648668 0.08690146208248 0.37500000000000 10.811 > 21 22 B 0.56456312648668 0.08690146208248 0.87500000000000 10.811 > 21 23 B 0.56456312648668 0.41309853791752 0.12500000000000 10.811 > 23 24 B 0.56456312648668 0.41309853791752 0.62500000000000 10.811 > 23 25 B 0.75463886847133 0.74188690846981 0.12500000000000 10.811 > 25 26 B 0.75463886847133 0.74188690846981 0.62500000000000 10.811 > 25 27 B 0.24536113152867 0.25811309153019 0.37500000000000 10.811 > 27 28 B 0.24536113152867 0.25811309153019 0.87500000000000 10.811 > 27 29 B 0.75463886847133 0.75811309153019 0.37500000000000 10.811 > 29 30 B 0.75463886847133 0.75811309153019 0.87500000000000 10.811 > 29 31 B 0.24536113152867 0.24188690846981 0.12500000000000 10.811 > 31 32 B 0.24536113152867 0.24188690846981 0.62500000000000 10.811 > 31 33 N 0.60563160270103 0.72739198757575 0.12500000000000 14.007 > 33 34 N 0.60563160270103 0.72739198757575 0.62500000000000 14.007 > 33 35 N 0.53360471141341 0.99923543679011 0.12500000000000 14.007 > 35 36 N 0.53360471141341 0.99923543679011 0.62500000000000 14.007 > 35 37 N 0.85864179338030 0.41408148819180 0.47966934858844 14.007 > 37 38 N 0.85864179338030 0.41408148819180 0.97966934858844 14.007 > 37 39 N 0.14135820661970 0.58591851180820 0.22966934858844 14.007 > 39 40 N 0.14135820661970 0.58591851180820 0.72966934858844 14.007 > 39 41 N 0.85864179338030 0.41408148819180 0.27033065141156 14.007 > 41 42 N 0.85864179338030 0.41408148819180 0.77033065141156 14.007 > 41 43 N 0.14135820661970 0.58591851180820 0.02033065141156 14.007 > 43 44 N 0.14135820661970 0.58591851180820 0.52033065141156 14.007 > 43 45 N 0.85864179338030 0.08591851180820 0.22966934858844 14.007 > 45 46 N 0.85864179338030 0.08591851180820 0.72966934858844 14.007 > 45 47 N 0.14135820661970 0.91408148819180 0.47966934858844 14.007 > 47 48 N 0.14135820661970 0.91408148819180 0.97966934858844 14.007 > 47 49 N 0.37714096637855 0.62169654273419 0.29058326077324 14.007 > 49 50 N 0.37714096637855 0.62169654273419 0.79058326077324 14.007 > 49 51 N 0.85864179338030 0.08591851180820 0.02033065141156 14.007 > 51 52 N 0.85864179338030 0.08591851180820 0.52033065141156 14.007 > 51 53 N 0.62285903362145 0.37830345726581 0.04058326077324 14.007 > 53 54 N 0.62285903362145 0.37830345726581 0.54058326077324 14.007 > 53 55 N 0.37714096637855 0.87830345726581 0.20941673922676 14.007 > 55 56 N 0.37714096637855 0.87830345726581 0.70941673922676 14.007 > 55 57 N 0.62285903362145 0.12169654273419 0.45941673922676 14.007 > 57 58 N 0.62285903362145 0.12169654273419 0.95941673922676 14.007 > 57 59 N 0.62285903362145 0.37830345726581 0.20941673922676 14.007 > 59 60 N 0.62285903362145 0.37830345726581 0.70941673922676 14.007 > 59 61 N 0.37714096637855 0.62169654273419 0.45941673922676 14.007 > 61 62 N 0.37714096637855 0.62169654273419 0.95941673922676 14.007 > 61 63 N 0.62285903362145 0.12169654273419 0.29058326077324 14.007 > 63 64 N 0.62285903362145 0.12169654273419 0.79058326077324 14.007 > 63 65 N 0.37714096637855 0.87830345726581 0.04058326077324 14.007 > 65 66 N 0.37714096637855 0.87830345726581 0.54058326077324 14.007 > 65 67 N 0.39436839729897 0.22739198757575 0.12500000000000 14.007 > 67 68 N 0.39436839729897 0.22739198757575 0.62500000000000 14.007 > 67 69 N 0.60563160270103 0.77260801242425 0.37500000000000 14.007 > 69 70 N 0.60563160270103 0.77260801242425 0.87500000000000 14.007 > 69 71 N 0.39436839729897 0.27260801242424 0.37500000000000 14.007 > 71 72 N 0.39436839729897 0.27260801242424 0.87500000000000 14.007 > 71 73 N 0.15841614628802 0.82230593508135 0.12500000000000 14.007 > 73 74 N 0.15841614628802 0.82230593508135 0.62500000000000 14.007 > 73 75 N 0.84158385371198 0.17769406491865 0.37500000000000 14.007 > 75 76 N 0.84158385371198 0.17769406491865 0.87500000000000 14.007 > 75 77 N 0.15841614628802 0.67769406491865 0.37500000000000 14.007 > 77 78 N 0.15841614628802 0.67769406491865 0.87500000000000 14.007 > 77 79 N 0.84158385371198 0.32230593508135 0.12500000000000 14.007 > 79 80 N 0.84158385371198 0.32230593508135 0.62500000000000 14.007 > 79 81 N 0.17821197406994 0.34791404784491 0.12500000000000 14.007 > 81 82 N 0.17821197406994 0.34791404784491 0.62500000000000 14.007 > 81 83 N 0.82178802593006 0.65208595215509 0.37500000000000 14.007 > 83 84 N 0.82178802593006 0.65208595215509 0.87500000000000 14.007 > 83 85 N 0.17821197406994 0.15208595215509 0.37500000000000 14.007 > 85 86 N 0.17821197406994 0.15208595215509 0.87500000000000 14.007 > 85 87 N 0.82178802593006 0.84791404784491 0.12500000000000 14.007 > 87 88 N 0.82178802593006 0.84791404784491 0.62500000000000 14.007 > 87 89 N 0.15516704617030 0.14595807704300 0.12500000000000 14.007 > 89 90 N 0.15516704617030 0.14595807704300 0.62500000000000 14.007 > 89 91 N 0.84483295382970 0.85404192295700 0.37500000000000 14.007 > 91 92 N 0.84483295382970 0.85404192295700 0.87500000000000 14.007 > 91 93 N 0.15516704617030 0.35404192295700 0.37500000000000 14.007 > 93 94 N 0.15516704617030 0.35404192295700 0.87500000000000 14.007 > 93 95 N 0.84483295382970 0.64595807704300 0.12500000000000 14.007 > 95 96 N 0.84483295382970 0.64595807704300 0.62500000000000 14.007 > 95 97 N 0.46639528858659 0.49923543679011 0.12500000000000 14.007 > 97 98 N 0.46639528858659 0.49923543679011 0.62500000000000 14.007 > 97 99 N 0.53360471141341 0.50076456320989 0.37500000000000 14.007 > 99 100 N 0.53360471141341 0.50076456320989 0.87500000000000 14.007 > 99 101 N 0.46639528858659 0.00076456320989 0.37500000000000 14.007 > 101 102 N 0.46639528858659 0.00076456320989 0.87500000000000 14.007 > 101 103 N 0.14135820661970 0.91408148819180 0.27033065141156 14.007 > 103 104 N 0.14135820661970 0.91408148819180 0.77033065141156 14.007 > 103 105 La 0.34597841010783 0.08497047783987 0.49878574434364 138.905 > 105 106 La 0.34597841010783 0.08497047783987 0.99878574434364 138.905 > 105 107 La 0.65402158989217 0.91502952216013 0.24878574434364 138.905 > 107 108 La 0.65402158989217 0.91502952216013 0.74878574434364 138.905 > 107 109 La 0.34597841010783 0.41502952216013 0.00121425565636 138.905 > 109 110 La 0.34597841010783 0.41502952216013 0.50121425565636 138.905 > 109 111 La 0.65402158989217 0.58497047783987 0.25121425565636 138.905 > 111 112 La 0.65402158989217 0.58497047783987 0.75121425565636 138.905 > 111 113 La 0.65402158989217 0.91502952216013 0.00121425565636 138.905 > 113 114 La 0.65402158989217 0.91502952216013 0.50121425565636 138.905 > 113 115 La 0.34597841010783 0.08497047783987 0.25121425565636 138.905 > 115 116 La 0.34597841010783 0.08497047783987 0.75121425565636 138.905 > 115 117 La 0.65402158989217 0.58497047783987 0.49878574434364 138.905 > 117 118 La 0.65402158989217 0.58497047783987 0.99878574434364 138.905 > 117 119 La 0.34597841010783 0.41502952216013 0.24878574434364 138.905 > 119 120 La 0.34597841010783 0.41502952216013 0.74878574434364 138.905 > 119 121 La 0.01125509864261 0.25000000000000 0.25000000000000 138.905 > 121 122 La 0.01125509864261 0.25000000000000 0.75000000000000 138.905 > 121 123 La 0.98874490135740 0.75000000000000 0.00000000000000 138.905 > 123 124 La 0.98874490135740 0.75000000000000 0.50000000000000 138.905 > 123 125 La 0.98874490135740 0.75000000000000 0.25000000000000 138.905 > 125 126 La 0.98874490135740 0.75000000000000 0.75000000000000 138.905 > 125 127 La 0.01125509864261 0.25000000000000 0.00000000000000 138.905 > 127 128 La 0.01125509864261 0.25000000000000 0.50000000000000 138.905 > 127 129 La 0.99654475314287 0.99408268755217 0.12500000000000 138.905 > 129 130 La 0.99654475314287 0.99408268755217 0.62500000000000 138.905 > 129 131 La 0.00345524685713 0.00591731244783 0.37500000000000 138.905 > 131 132 La 0.00345524685713 0.00591731244783 0.87500000000000 138.905 > 131 133 La 0.99654475314287 0.50591731244783 0.37500000000000 138.905 > 133 134 La 0.99654475314287 0.50591731244783 0.87500000000000 138.905 > 133 135 La 0.00345524685713 0.49408268755217 0.12500000000000 138.905 > 135 136 La 0.00345524685713 0.49408268755217 0.62500000000000 138.905 > 135 137 La 0.35840149983807 0.67803525999928 0.12500000000000 138.905 > 137 138 La 0.35840149983807 0.67803525999928 0.62500000000000 138.905 > 137 139 La 0.64159850016193 0.32196474000073 0.37500000000000 138.905 > 139 140 La 0.64159850016193 0.32196474000073 0.87500000000000 138.905 > 139 141 La 0.35840149983807 0.82196474000072 0.37500000000000 138.905 > 141 142 La 0.35840149983807 0.82196474000072 0.87500000000000 138.905 > 141 143 La 0.64159850016193 0.17803525999927 0.12500000000000 138.905 > 143 144 La 0.64159850016193 0.17803525999927 0.62500000000000 138.905 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7486861 0.0000000 0.0000000 0.0000000 7.7163313 0.0000000 0.0000000 0.0000000 7.2871712 -------------------------- Born effective charges -------------------------- 1 B 1.9329409 -0.9151475 0.0000000 -0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 2 B 2.6876518 -0.0249922 0.2204205 0.0425194 0.4576635 -0.9059704 0.0365126 -1.0444812 2.1798087 3 B 2.6876518 -0.0249922 -0.2204205 0.0425194 0.4576635 0.9059704 -0.0365126 1.0444812 2.1798087 4 B 2.6876518 0.0249922 -0.2204205 -0.0425194 0.4576635 -0.9059704 -0.0365126 -1.0444812 2.1798087 5 B 2.6876518 0.0249922 0.2204205 -0.0425194 0.4576635 0.9059704 0.0365126 1.0444812 2.1798087 6 B 2.6876518 -0.0249922 0.2204205 0.0425194 0.4576635 -0.9059704 0.0365126 -1.0444812 2.1798087 7 B 2.6876518 -0.0249922 -0.2204205 0.0425194 0.4576635 0.9059704 -0.0365126 1.0444812 2.1798087 8 B 2.6876518 0.0249922 -0.2204205 -0.0425194 0.4576635 -0.9059704 -0.0365126 -1.0444812 2.1798087 9 B 2.6876518 0.0249922 0.2204205 -0.0425194 0.4576635 0.9059704 0.0365126 1.0444812 2.1798087 10 B 1.9329409 0.9151475 0.0000000 0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 11 B 1.9329409 0.9151475 0.0000000 0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 12 B 1.9329409 -0.9151475 0.0000000 -0.6529691 1.6863277 0.0000000 0.0000000 0.0000000 2.3719616 13 B 2.4799116 0.0084797 0.0000000 0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 14 B 2.4799116 0.0084797 0.0000000 0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 15 B 2.4799116 -0.0084797 0.0000000 -0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 16 B 2.4799116 -0.0084797 0.0000000 -0.2431986 2.1062367 0.0000000 0.0000000 0.0000000 -0.5500295 17 N -4.0614144 -0.2259178 0.0000000 -0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 18 N -3.3110814 -0.5034344 0.0000000 -0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 19 N -3.2702744 -0.2258570 0.6237882 0.0051785 -2.6918810 0.3945886 0.7352112 0.7341818 -3.2369950 20 N -3.2702744 -0.2258570 -0.6237882 0.0051785 -2.6918810 -0.3945886 -0.7352112 -0.7341818 -3.2369950 21 N -3.2702744 -0.2258570 -0.6237882 0.0051785 -2.6918810 -0.3945886 -0.7352112 -0.7341818 -3.2369950 22 N -3.2702744 -0.2258570 0.6237882 0.0051785 -2.6918810 0.3945886 0.7352112 0.7341818 -3.2369950 23 N -3.2702744 0.2258570 0.6237882 -0.0051785 -2.6918810 -0.3945886 0.7352112 -0.7341818 -3.2369950 24 N -3.2702744 0.2258570 -0.6237882 -0.0051785 -2.6918810 0.3945886 -0.7352112 0.7341818 -3.2369950 25 N -3.3492296 0.3175229 -0.4385142 0.0744824 -2.3755487 0.0961052 -0.4014779 -0.0875428 -2.8507700 26 N -3.2702744 0.2258570 -0.6237882 -0.0051785 -2.6918810 0.3945886 -0.7352112 0.7341818 -3.2369950 27 N -3.3492296 0.3175229 0.4385142 0.0744824 -2.3755487 -0.0961052 0.4014779 0.0875428 -2.8507700 28 N -3.3492296 -0.3175229 0.4385142 -0.0744824 -2.3755487 0.0961052 0.4014779 -0.0875428 -2.8507700 29 N -3.3492296 -0.3175229 -0.4385142 -0.0744824 -2.3755487 -0.0961052 -0.4014779 0.0875428 -2.8507700 30 N -3.3492296 0.3175229 -0.4385142 0.0744824 -2.3755487 0.0961052 -0.4014779 -0.0875428 -2.8507700 31 N -3.3492296 0.3175229 0.4385142 0.0744824 -2.3755487 -0.0961052 0.4014779 0.0875428 -2.8507700 32 N -3.3492296 -0.3175229 0.4385142 -0.0744824 -2.3755487 0.0961052 0.4014779 -0.0875428 -2.8507700 33 N -3.3492296 -0.3175229 -0.4385142 -0.0744824 -2.3755487 -0.0961052 -0.4014779 0.0875428 -2.8507700 34 N -4.0614144 0.2259178 0.0000000 0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 35 N -4.0614144 0.2259178 0.0000000 0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 36 N -4.0614144 -0.2259178 0.0000000 -0.4540477 -3.0761237 0.0000000 0.0000000 0.0000000 -2.3576993 37 N -2.7392097 0.2448079 0.0000000 -0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 38 N -2.7392097 0.2448079 0.0000000 -0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 39 N -2.7392097 -0.2448079 0.0000000 0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 40 N -2.7392097 -0.2448079 0.0000000 0.2175721 -2.3285316 0.0000000 0.0000000 0.0000000 -3.5097428 41 N -3.3763514 0.3236169 0.0000000 0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 42 N -3.3763514 0.3236169 0.0000000 0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 43 N -3.3763514 -0.3236169 0.0000000 -0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 44 N -3.3763514 -0.3236169 0.0000000 -0.6407806 -3.5619039 0.0000000 0.0000000 0.0000000 -2.6325607 45 N -3.2937780 -0.6666328 0.0000000 -0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 46 N -3.2937780 -0.6666328 0.0000000 -0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 47 N -3.2937780 0.6666328 0.0000000 0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 48 N -3.2937780 0.6666328 0.0000000 0.3052701 -3.2705193 0.0000000 0.0000000 0.0000000 -2.4950727 49 N -3.3110814 0.5034344 0.0000000 0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 50 N -3.3110814 0.5034344 0.0000000 0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 51 N -3.3110814 -0.5034344 0.0000000 -0.0705136 -3.6055382 0.0000000 0.0000000 0.0000000 -3.3487684 52 N -3.2702744 0.2258570 0.6237882 -0.0051785 -2.6918810 -0.3945886 0.7352112 -0.7341818 -3.2369950 53 La 3.6226379 -0.3778579 -0.2764871 -0.6281088 3.9066265 -0.1011485 -0.1954355 0.0483770 4.4481366 54 La 3.6226379 -0.3778579 0.2764871 -0.6281088 3.9066265 0.1011485 0.1954355 -0.0483770 4.4481366 55 La 3.6226379 0.3778579 0.2764871 0.6281088 3.9066265 -0.1011485 0.1954355 0.0483770 4.4481366 56 La 3.6226379 0.3778579 -0.2764871 0.6281088 3.9066265 0.1011485 -0.1954355 -0.0483770 4.4481366 57 La 3.6226379 -0.3778579 -0.2764871 -0.6281088 3.9066265 -0.1011485 -0.1954355 0.0483770 4.4481366 58 La 3.6226379 -0.3778579 0.2764871 -0.6281088 3.9066265 0.1011485 0.1954355 -0.0483770 4.4481366 59 La 3.6226379 0.3778579 0.2764871 0.6281088 3.9066265 -0.1011485 0.1954355 0.0483770 4.4481366 60 La 3.6226379 0.3778579 -0.2764871 0.6281088 3.9066265 0.1011485 -0.1954355 -0.0483770 4.4481366 61 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 -0.2870476 0.0000000 -0.2553468 3.9599479 62 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 0.2870476 0.0000000 0.2553468 3.9599479 63 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 -0.2870476 0.0000000 -0.2553468 3.9599479 64 La 3.8615607 -0.0000000 0.0000000 0.0000000 3.7908728 0.2870476 0.0000000 0.2553468 3.9599479 65 La 4.4265478 0.0875309 0.0000000 0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 66 La 4.4265478 0.0875309 0.0000000 0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 67 La 4.4265478 -0.0875309 0.0000000 -0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 68 La 4.4265478 -0.0875309 0.0000000 -0.1504786 4.7200506 0.0000000 0.0000000 0.0000000 3.6910498 69 La 4.6993021 -0.2785898 0.0000000 -0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 70 La 4.6993021 -0.2785898 0.0000000 -0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 71 La 4.6993021 0.2785898 0.0000000 0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 72 La 4.6993021 0.2785898 0.0000000 0.4043488 4.9454084 0.0000000 0.0000000 0.0000000 3.7905535 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 7 ] 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: 0.43, Number of G-points: 301, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.743 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 2.573 ( 0.000 0.000 0.000) 0.000 2.611 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.232 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.534 ( 0.000 0.000 0.000) 0.000 3.616 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.289 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.525 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.632 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.780 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.460 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.035 ( 0.000 0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 0.000) 0.000 6.303 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 0.000) 0.000 6.844 ( 0.000 0.000 0.000) 0.000 6.990 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.169 ( 0.000 0.000 0.000) 0.000 7.177 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.375 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.572 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.861 ( 0.000 0.000 0.000) 0.000 7.892 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 7.950 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.591 ( 0.000 0.000 0.000) 0.000 8.824 ( 0.000 0.000 0.000) 0.000 8.980 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.281 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.387 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.831 ( 0.000 0.000 0.000) 0.000 9.900 ( 0.000 0.000 0.000) 0.000 9.901 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.163 ( 0.000 0.000 0.000) 0.000 10.664 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.124 ( 0.000 0.000 0.000) 0.000 11.299 ( 0.000 0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 13.435 ( 0.000 0.000 0.000) 0.000 13.484 ( 0.000 0.000 0.000) 0.000 13.489 ( 0.000 0.000 0.000) 0.000 13.520 ( 0.000 0.000 0.000) 0.000 13.619 ( 0.000 0.000 0.000) 0.000 13.875 ( 0.000 0.000 0.000) 0.000 14.004 ( 0.000 0.000 0.000) 0.000 14.889 ( 0.000 0.000 0.000) 0.000 14.944 ( 0.000 0.000 0.000) 0.000 15.455 ( 0.000 0.000 0.000) 0.000 15.544 ( 0.000 0.000 0.000) 0.000 15.799 ( 0.000 0.000 0.000) 0.000 15.859 ( 0.000 0.000 0.000) 0.000 15.970 ( 0.000 0.000 0.000) 0.000 16.166 ( 0.000 0.000 0.000) 0.000 16.603 ( 0.000 0.000 0.000) 0.000 16.695 ( 0.000 0.000 0.000) 0.000 16.714 ( 0.000 0.000 0.000) 0.000 17.107 ( 0.000 0.000 0.000) 0.000 17.164 ( 0.000 0.000 0.000) 0.000 17.466 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.499 ( 0.000 0.000 0.000) 0.000 17.629 ( 0.000 0.000 0.000) 0.000 17.631 ( 0.000 0.000 0.000) 0.000 17.695 ( 0.000 0.000 0.000) 0.000 17.806 ( 0.000 0.000 0.000) 0.000 19.145 ( 0.000 0.000 0.000) 0.000 19.152 ( 0.000 0.000 0.000) 0.000 19.176 ( 0.000 0.000 0.000) 0.000 19.359 ( 0.000 0.000 0.000) 0.000 20.006 ( 0.000 0.000 0.000) 0.000 20.037 ( 0.000 0.000 0.000) 0.000 20.038 ( 0.000 0.000 0.000) 0.000 20.050 ( 0.000 0.000 0.000) 0.000 20.078 ( 0.000 0.000 0.000) 0.000 20.169 ( 0.000 0.000 0.000) 0.000 20.300 ( 0.000 0.000 0.000) 0.000 20.481 ( 0.000 0.000 0.000) 0.000 21.312 ( 0.000 0.000 0.000) 0.000 21.430 ( 0.000 0.000 0.000) 0.000 21.434 ( 0.000 0.000 0.000) 0.000 21.445 ( 0.000 0.000 0.000) 0.000 21.981 ( 0.000 0.000 0.000) 0.000 21.985 ( 0.000 0.000 0.000) 0.000 22.007 ( 0.000 0.000 0.000) 0.000 22.008 ( 0.000 0.000 0.000) 0.000 23.543 ( 0.000 0.000 0.000) 0.000 23.577 ( 0.000 0.000 0.000) 0.000 23.617 ( 0.000 0.000 0.000) 0.000 23.641 ( 0.000 0.000 0.000) 0.000 26.087 ( 0.000 0.000 0.000) 0.000 26.235 ( 0.000 0.000 0.000) 0.000 26.452 ( 0.000 0.000 0.000) 0.000 26.574 ( 0.000 0.000 0.000) 0.000 27.182 ( 0.000 0.000 0.000) 0.000 27.188 ( 0.000 0.000 0.000) 0.000 27.258 ( 0.000 0.000 0.000) 0.000 27.261 ( 0.000 0.000 0.000) 0.000 27.314 ( 0.000 0.000 0.000) 0.000 27.394 ( 0.000 0.000 0.000) 0.000 27.544 ( 0.000 0.000 0.000) 0.000 27.557 ( 0.000 0.000 0.000) 0.000 31.158 ( 0.000 0.000 0.000) 0.000 31.172 ( 0.000 0.000 0.000) 0.000 31.255 ( 0.000 0.000 0.000) 0.000 31.284 ( 0.000 0.000 0.000) 0.000 31.369 ( 0.000 0.000 0.000) 0.000 31.394 ( 0.000 0.000 0.000) 0.000 31.591 ( 0.000 0.000 0.000) 0.000 32.028 ( 0.000 0.000 0.000) 0.000 33.347 ( 0.000 0.000 0.000) 0.000 33.398 ( 0.000 0.000 0.000) 0.000 33.407 ( 0.000 0.000 0.000) 0.000 33.499 ( 0.000 0.000 0.000) 0.000 33.764 ( 0.000 0.000 0.000) 0.000 33.826 ( 0.000 0.000 0.000) 0.000 34.003 ( 0.000 0.000 0.000) 0.000 34.006 ( 0.000 0.000 0.000) 0.000 34.147 ( 0.000 0.000 0.000) 0.000 34.171 ( 0.000 0.000 0.000) 0.000 34.289 ( 0.000 0.000 0.000) 0.000 34.309 ( 0.000 0.000 0.000) 0.000 35.093 ( 0.000 0.000 0.000) 0.000 35.240 ( 0.000 0.000 0.000) 0.000 35.490 ( 0.000 0.000 0.000) 0.000 35.762 ( 0.000 0.000 0.000) 0.000 36.287 ( 0.000 0.000 0.000) 0.000 36.335 ( 0.000 0.000 0.000) 0.000 36.442 ( 0.000 0.000 0.000) 0.000 36.489 ( 0.000 0.000 0.000) 0.000 38.076 ( 0.000 0.000 0.000) 0.000 38.350 ( 0.000 0.000 0.000) 0.000 38.351 ( 0.000 0.000 0.000) 0.000 38.367 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.20 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 29.772 0.000 0.000) 29.772 0.719 ( 33.644 0.000 0.000) 33.644 1.268 ( 59.117 0.000 0.000) 59.117 1.816 ( 6.050 0.000 0.000) 6.050 1.917 ( -5.156 0.000 0.000) 5.156 1.998 ( 3.509 0.000 0.000) 3.509 2.007 ( -2.976 0.000 0.000) 2.976 2.021 ( 0.979 0.000 0.000) 0.979 2.159 ( 1.158 0.000 0.000) 1.158 2.251 ( -13.310 0.000 0.000) 13.310 2.313 ( -3.269 0.000 0.000) 3.269 2.377 ( 1.951 0.000 0.000) 1.951 2.541 ( -3.172 0.000 0.000) 3.172 2.563 ( -3.275 0.000 0.000) 3.275 2.622 ( -14.085 0.000 0.000) 14.085 2.714 ( 0.319 0.000 0.000) 0.319 2.853 ( -2.407 0.000 0.000) 2.407 2.862 ( 0.442 0.000 0.000) 0.442 2.960 ( -0.794 0.000 0.000) 0.794 3.023 ( 2.779 0.000 0.000) 2.779 3.143 ( 3.052 0.000 0.000) 3.052 3.169 ( -2.565 0.000 0.000) 2.565 3.213 ( -14.628 0.000 0.000) 14.628 3.278 ( -10.116 0.000 0.000) 10.116 3.286 ( -6.913 0.000 0.000) 6.913 3.296 ( 1.415 0.000 0.000) 1.415 3.307 ( 4.430 0.000 0.000) 4.430 3.365 ( 7.856 0.000 0.000) 7.856 3.406 ( -1.461 0.000 0.000) 1.461 3.407 ( -4.278 0.000 0.000) 4.278 3.549 ( 4.890 0.000 0.000) 4.890 3.617 ( 3.321 0.000 0.000) 3.321 3.644 ( 7.308 0.000 0.000) 7.308 3.656 ( -4.687 0.000 0.000) 4.687 3.800 ( -0.945 0.000 0.000) 0.945 3.812 ( 7.589 0.000 0.000) 7.589 3.813 ( 0.852 0.000 0.000) 0.852 3.863 ( 9.095 0.000 0.000) 9.095 3.878 ( 1.914 0.000 0.000) 1.914 3.895 ( -2.765 0.000 0.000) 2.765 3.899 ( 0.190 0.000 0.000) 0.190 3.913 ( -1.280 0.000 0.000) 1.280 4.192 ( 2.418 0.000 0.000) 2.418 4.269 ( -2.628 0.000 0.000) 2.628 4.287 ( 0.061 0.000 0.000) 0.061 4.319 ( -1.562 0.000 0.000) 1.562 4.436 ( -6.583 0.000 0.000) 6.583 4.440 ( -6.177 0.000 0.000) 6.177 4.503 ( 1.296 0.000 0.000) 1.296 4.529 ( -6.915 0.000 0.000) 6.915 4.593 ( -3.444 0.000 0.000) 3.444 4.694 ( 1.214 0.000 0.000) 1.214 4.737 ( 1.992 0.000 0.000) 1.992 4.790 ( 1.836 0.000 0.000) 1.836 4.833 ( 2.857 0.000 0.000) 2.857 4.989 ( 5.685 0.000 0.000) 5.685 5.113 ( 8.497 0.000 0.000) 8.497 5.195 ( -0.980 0.000 0.000) 0.980 5.201 ( -0.732 0.000 0.000) 0.732 5.212 ( -6.498 0.000 0.000) 6.498 5.295 ( 0.824 0.000 0.000) 0.824 5.365 ( -4.300 0.000 0.000) 4.300 5.394 ( -3.138 0.000 0.000) 3.138 5.509 ( -1.739 0.000 0.000) 1.739 5.559 ( 1.510 0.000 0.000) 1.510 5.607 ( 1.250 0.000 0.000) 1.250 5.778 ( 5.014 0.000 0.000) 5.014 5.966 ( -2.929 0.000 0.000) 2.929 5.980 ( -1.283 0.000 0.000) 1.283 6.065 ( -1.812 0.000 0.000) 1.812 6.085 ( 3.677 0.000 0.000) 3.677 6.122 ( -1.047 0.000 0.000) 1.047 6.136 ( 6.880 0.000 0.000) 6.880 6.344 ( 3.783 0.000 0.000) 3.783 6.575 ( 12.175 0.000 0.000) 12.175 6.596 ( 3.023 0.000 0.000) 3.023 6.750 ( 1.238 0.000 0.000) 1.238 6.830 ( -0.395 0.000 0.000) 0.395 6.865 ( 1.821 0.000 0.000) 1.821 6.911 ( -7.406 0.000 0.000) 7.406 6.964 ( -7.808 0.000 0.000) 7.808 7.011 ( -1.886 0.000 0.000) 1.886 7.079 ( 0.245 0.000 0.000) 0.245 7.093 ( -4.151 0.000 0.000) 4.151 7.197 ( 0.572 0.000 0.000) 0.572 7.207 ( 2.776 0.000 0.000) 2.776 7.225 ( 1.589 0.000 0.000) 1.589 7.417 ( -3.165 0.000 0.000) 3.165 7.538 ( 12.567 0.000 0.000) 12.567 7.599 ( 7.370 0.000 0.000) 7.370 7.613 ( 1.076 0.000 0.000) 1.076 7.766 ( -4.802 0.000 0.000) 4.802 7.899 ( -0.436 0.000 0.000) 0.436 7.934 ( -1.444 0.000 0.000) 1.444 8.044 ( 11.816 0.000 0.000) 11.816 8.209 ( -5.029 0.000 0.000) 5.029 8.290 ( -0.922 0.000 0.000) 0.922 8.303 ( 4.212 0.000 0.000) 4.212 8.381 ( -3.750 0.000 0.000) 3.750 8.434 ( 8.990 0.000 0.000) 8.990 8.546 ( -4.011 0.000 0.000) 4.011 8.690 ( -10.982 0.000 0.000) 10.982 8.805 ( -6.882 0.000 0.000) 6.882 9.114 ( -5.661 0.000 0.000) 5.661 9.289 ( 7.987 0.000 0.000) 7.987 9.341 ( -5.971 0.000 0.000) 5.971 9.345 ( 2.562 0.000 0.000) 2.562 9.389 ( -2.822 0.000 0.000) 2.822 9.425 ( 1.477 0.000 0.000) 1.477 9.662 ( -2.722 0.000 0.000) 2.722 9.729 ( -8.945 0.000 0.000) 8.945 9.870 ( 1.847 0.000 0.000) 1.847 9.909 ( 0.536 0.000 0.000) 0.536 9.950 ( 2.907 0.000 0.000) 2.907 10.139 ( -2.134 0.000 0.000) 2.134 10.483 ( -12.621 0.000 0.000) 12.621 10.918 ( -6.728 0.000 0.000) 6.728 11.138 ( 2.922 0.000 0.000) 2.922 11.209 ( 5.158 0.000 0.000) 5.158 11.665 ( -1.460 0.000 0.000) 1.460 13.294 ( -3.572 0.000 0.000) 3.572 13.430 ( -4.219 0.000 0.000) 4.219 13.492 ( 0.220 0.000 0.000) 0.220 13.500 ( 3.713 0.000 0.000) 3.713 13.612 ( -0.752 0.000 0.000) 0.752 13.701 ( -0.956 0.000 0.000) 0.956 13.902 ( 1.974 0.000 0.000) 1.974 14.031 ( 2.325 0.000 0.000) 2.325 14.903 ( 1.162 0.000 0.000) 1.162 14.960 ( 1.262 0.000 0.000) 1.262 15.557 ( 9.188 0.000 0.000) 9.188 15.585 ( 3.883 0.000 0.000) 3.883 15.804 ( 0.364 0.000 0.000) 0.364 15.904 ( 3.789 0.000 0.000) 3.789 15.945 ( -2.799 0.000 0.000) 2.799 16.181 ( -4.364 0.000 0.000) 4.364 16.601 ( -0.112 0.000 0.000) 0.112 16.687 ( -0.299 0.000 0.000) 0.299 16.720 ( 0.331 0.000 0.000) 0.331 17.139 ( -2.641 0.000 0.000) 2.641 17.153 ( 4.006 0.000 0.000) 4.006 17.442 ( -2.073 0.000 0.000) 2.073 17.491 ( -2.702 0.000 0.000) 2.702 17.509 ( 1.061 0.000 0.000) 1.061 17.618 ( -1.037 0.000 0.000) 1.037 17.620 ( -0.787 0.000 0.000) 0.787 17.684 ( -0.971 0.000 0.000) 0.971 17.769 ( -3.262 0.000 0.000) 3.262 19.145 ( -0.022 0.000 0.000) 0.022 19.150 ( -0.177 0.000 0.000) 0.177 19.183 ( 0.586 0.000 0.000) 0.586 19.463 ( -0.068 0.000 0.000) 0.068 20.005 ( -0.083 0.000 0.000) 0.083 20.035 ( -0.219 0.000 0.000) 0.219 20.050 ( 0.027 0.000 0.000) 0.027 20.080 ( 0.200 0.000 0.000) 0.200 20.094 ( 5.167 0.000 0.000) 5.167 20.117 ( -3.351 0.000 0.000) 3.351 20.355 ( 2.947 0.000 0.000) 2.947 20.455 ( -2.516 0.000 0.000) 2.516 21.337 ( 2.064 0.000 0.000) 2.064 21.398 ( -2.410 0.000 0.000) 2.410 21.436 ( -1.032 0.000 0.000) 1.032 21.465 ( -0.781 0.000 0.000) 0.781 21.982 ( 0.135 0.000 0.000) 0.135 21.984 ( -0.079 0.000 0.000) 0.079 22.006 ( -0.113 0.000 0.000) 0.113 22.006 ( -0.132 0.000 0.000) 0.132 23.556 ( 1.128 0.000 0.000) 1.128 23.581 ( 0.302 0.000 0.000) 0.302 23.621 ( 0.307 0.000 0.000) 0.307 23.636 ( -0.822 0.000 0.000) 0.822 26.042 ( -3.341 0.000 0.000) 3.341 26.222 ( -1.672 0.000 0.000) 1.672 26.500 ( 3.571 0.000 0.000) 3.571 26.581 ( 0.431 0.000 0.000) 0.431 27.190 ( 0.699 0.000 0.000) 0.699 27.217 ( 2.659 0.000 0.000) 2.659 27.254 ( -0.657 0.000 0.000) 0.657 27.327 ( 1.175 0.000 0.000) 1.175 27.351 ( 0.489 0.000 0.000) 0.489 27.391 ( -0.248 0.000 0.000) 0.248 27.523 ( -1.901 0.000 0.000) 1.901 27.555 ( -0.192 0.000 0.000) 0.192 31.173 ( 1.318 0.000 0.000) 1.318 31.179 ( 0.727 0.000 0.000) 0.727 31.247 ( -0.773 0.000 0.000) 0.773 31.288 ( 0.446 0.000 0.000) 0.446 31.361 ( -0.741 0.000 0.000) 0.741 31.409 ( 1.340 0.000 0.000) 1.340 31.645 ( -0.801 0.000 0.000) 0.801 31.988 ( -3.438 0.000 0.000) 3.438 33.419 ( 1.906 0.000 0.000) 1.906 33.499 ( 7.962 0.000 0.000) 7.962 33.501 ( 0.254 0.000 0.000) 0.254 33.753 ( -0.977 0.000 0.000) 0.977 33.810 ( -1.497 0.000 0.000) 1.497 33.811 ( 0.495 0.000 0.000) 0.495 33.993 ( -0.498 0.000 0.000) 0.498 34.015 ( 0.416 0.000 0.000) 0.416 34.166 ( -0.620 0.000 0.000) 0.620 34.265 ( -3.168 0.000 0.000) 3.168 34.280 ( -0.668 0.000 0.000) 0.668 34.311 ( 0.125 0.000 0.000) 0.125 35.093 ( 0.115 0.000 0.000) 0.115 35.267 ( 2.250 0.000 0.000) 2.250 35.538 ( 3.900 0.000 0.000) 3.900 36.284 ( -0.208 0.000 0.000) 0.208 36.339 ( 0.324 0.000 0.000) 0.324 36.444 ( 0.172 0.000 0.000) 0.172 36.493 ( 0.355 0.000 0.000) 0.355 37.110 ( -2.941 0.000 0.000) 2.941 38.066 ( -0.800 0.000 0.000) 0.800 38.352 ( 0.109 0.000 0.000) 0.109 38.374 ( 0.543 0.000 0.000) 0.543 38.590 ( 0.615 0.000 0.000) 0.615 ======================= Grid point 2 (3/36) ======================= q-point: ( 0.40 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 25.558 0.000 0.000) 25.558 1.363 ( 28.485 0.000 0.000) 28.485 1.690 ( -17.086 0.000 0.000) 17.086 1.870 ( -19.227 0.000 0.000) 19.227 1.928 ( 3.396 0.000 0.000) 3.396 1.987 ( -2.836 0.000 0.000) 2.836 2.033 ( 0.159 0.000 0.000) 0.159 2.091 ( 6.706 0.000 0.000) 6.706 2.182 ( 7.683 0.000 0.000) 7.683 2.190 ( 1.339 0.000 0.000) 1.339 2.259 ( -1.131 0.000 0.000) 1.131 2.433 ( 3.203 0.000 0.000) 3.203 2.471 ( -2.316 0.000 0.000) 2.316 2.500 ( -3.057 0.000 0.000) 3.057 2.603 ( 30.532 0.000 0.000) 30.532 2.715 ( -0.245 0.000 0.000) 0.245 2.826 ( 0.349 0.000 0.000) 0.349 2.901 ( -10.669 0.000 0.000) 10.669 2.902 ( 3.369 0.000 0.000) 3.369 2.964 ( 0.648 0.000 0.000) 0.648 2.991 ( -4.664 0.000 0.000) 4.664 3.081 ( -6.912 0.000 0.000) 6.912 3.149 ( -0.184 0.000 0.000) 0.184 3.174 ( -1.672 0.000 0.000) 1.672 3.244 ( 1.014 0.000 0.000) 1.014 3.309 ( -0.711 0.000 0.000) 0.711 3.314 ( 0.294 0.000 0.000) 0.294 3.344 ( -1.723 0.000 0.000) 1.723 3.384 ( -0.676 0.000 0.000) 0.676 3.401 ( -16.760 0.000 0.000) 16.760 3.621 ( 5.467 0.000 0.000) 5.467 3.630 ( 2.004 0.000 0.000) 2.004 3.664 ( 1.321 0.000 0.000) 1.321 3.741 ( 1.299 0.000 0.000) 1.299 3.759 ( -3.334 0.000 0.000) 3.334 3.806 ( -0.565 0.000 0.000) 0.565 3.874 ( -0.606 0.000 0.000) 0.606 3.882 ( -0.299 0.000 0.000) 0.299 3.940 ( 6.917 0.000 0.000) 6.917 3.952 ( 2.050 0.000 0.000) 2.050 3.980 ( 2.528 0.000 0.000) 2.528 3.997 ( 7.051 0.000 0.000) 7.051 4.111 ( -10.103 0.000 0.000) 10.103 4.141 ( -4.235 0.000 0.000) 4.235 4.203 ( -4.725 0.000 0.000) 4.725 4.296 ( 0.516 0.000 0.000) 0.516 4.298 ( -5.992 0.000 0.000) 5.992 4.332 ( -3.349 0.000 0.000) 3.349 4.484 ( 2.180 0.000 0.000) 2.180 4.537 ( 1.374 0.000 0.000) 1.374 4.551 ( -1.621 0.000 0.000) 1.621 4.779 ( 1.421 0.000 0.000) 1.421 4.787 ( 6.311 0.000 0.000) 6.311 4.818 ( 0.764 0.000 0.000) 0.764 4.856 ( -0.200 0.000 0.000) 0.200 4.962 ( -5.553 0.000 0.000) 5.553 5.173 ( -0.611 0.000 0.000) 0.611 5.178 ( 2.652 0.000 0.000) 2.652 5.185 ( -1.056 0.000 0.000) 1.056 5.286 ( -5.951 0.000 0.000) 5.951 5.304 ( 0.092 0.000 0.000) 0.092 5.309 ( 7.347 0.000 0.000) 7.347 5.360 ( 2.269 0.000 0.000) 2.269 5.470 ( -1.442 0.000 0.000) 1.442 5.569 ( -0.017 0.000 0.000) 0.017 5.604 ( -1.789 0.000 0.000) 1.789 5.877 ( 3.817 0.000 0.000) 3.817 5.935 ( 0.613 0.000 0.000) 0.613 5.947 ( -1.963 0.000 0.000) 1.963 6.006 ( -3.314 0.000 0.000) 3.314 6.087 ( -0.604 0.000 0.000) 0.604 6.183 ( 3.133 0.000 0.000) 3.133 6.351 ( 12.265 0.000 0.000) 12.265 6.436 ( 3.956 0.000 0.000) 3.956 6.703 ( -11.434 0.000 0.000) 11.434 6.705 ( 5.562 0.000 0.000) 5.562 6.769 ( 0.266 0.000 0.000) 0.266 6.801 ( -6.060 0.000 0.000) 6.060 6.803 ( -1.559 0.000 0.000) 1.559 6.827 ( 8.262 0.000 0.000) 8.262 6.907 ( 2.183 0.000 0.000) 2.183 6.981 ( -0.957 0.000 0.000) 0.957 6.997 ( -4.331 0.000 0.000) 4.331 7.105 ( 2.542 0.000 0.000) 2.542 7.214 ( -1.656 0.000 0.000) 1.656 7.220 ( 0.932 0.000 0.000) 0.932 7.283 ( 4.100 0.000 0.000) 4.100 7.361 ( -2.812 0.000 0.000) 2.812 7.645 ( 0.847 0.000 0.000) 0.847 7.651 ( -0.780 0.000 0.000) 0.780 7.753 ( 6.418 0.000 0.000) 6.418 7.784 ( 3.778 0.000 0.000) 3.778 7.893 ( -2.190 0.000 0.000) 2.190 7.907 ( 1.490 0.000 0.000) 1.490 8.062 ( -6.998 0.000 0.000) 6.998 8.255 ( 8.058 0.000 0.000) 8.058 8.287 ( 0.547 0.000 0.000) 0.547 8.307 ( -5.018 0.000 0.000) 5.018 8.334 ( -0.922 0.000 0.000) 0.922 8.445 ( -5.137 0.000 0.000) 5.137 8.559 ( 1.444 0.000 0.000) 1.444 8.700 ( 14.402 0.000 0.000) 14.402 8.721 ( -0.483 0.000 0.000) 0.483 8.967 ( -6.810 0.000 0.000) 6.810 9.162 ( -7.963 0.000 0.000) 7.963 9.203 ( -14.259 0.000 0.000) 14.259 9.373 ( 0.386 0.000 0.000) 0.386 9.434 ( 4.577 0.000 0.000) 4.577 9.468 ( 1.725 0.000 0.000) 1.725 9.594 ( -2.035 0.000 0.000) 2.035 9.644 ( 0.155 0.000 0.000) 0.155 9.917 ( 1.825 0.000 0.000) 1.825 9.918 ( 0.235 0.000 0.000) 0.235 9.982 ( 0.270 0.000 0.000) 0.270 10.095 ( -1.488 0.000 0.000) 1.488 10.282 ( -5.506 0.000 0.000) 5.506 10.804 ( -3.387 0.000 0.000) 3.387 11.179 ( 1.075 0.000 0.000) 1.075 11.282 ( 1.741 0.000 0.000) 1.741 11.629 ( -1.408 0.000 0.000) 1.408 13.241 ( -1.356 0.000 0.000) 1.356 13.355 ( -2.253 0.000 0.000) 2.253 13.495 ( 0.063 0.000 0.000) 0.063 13.555 ( 1.440 0.000 0.000) 1.440 13.595 ( -0.529 0.000 0.000) 0.529 13.692 ( -0.100 0.000 0.000) 0.100 13.934 ( 0.877 0.000 0.000) 0.877 14.077 ( 1.515 0.000 0.000) 1.515 14.926 ( 0.701 0.000 0.000) 0.701 14.983 ( 0.697 0.000 0.000) 0.697 15.694 ( 6.133 0.000 0.000) 6.133 15.792 ( 12.404 0.000 0.000) 12.404 15.811 ( 0.223 0.000 0.000) 0.223 15.849 ( -5.914 0.000 0.000) 5.914 15.979 ( 2.457 0.000 0.000) 2.457 16.036 ( -9.688 0.000 0.000) 9.688 16.599 ( -0.064 0.000 0.000) 0.064 16.687 ( 0.194 0.000 0.000) 0.194 16.724 ( 0.078 0.000 0.000) 0.078 17.088 ( -1.604 0.000 0.000) 1.604 17.237 ( 3.020 0.000 0.000) 3.020 17.401 ( -1.356 0.000 0.000) 1.356 17.442 ( -1.500 0.000 0.000) 1.500 17.532 ( 0.845 0.000 0.000) 0.845 17.591 ( -1.178 0.000 0.000) 1.178 17.611 ( 0.090 0.000 0.000) 0.090 17.663 ( -0.790 0.000 0.000) 0.790 17.698 ( -2.713 0.000 0.000) 2.713 19.144 ( -0.001 0.000 0.000) 0.001 19.146 ( -0.120 0.000 0.000) 0.120 19.194 ( 0.352 0.000 0.000) 0.352 19.462 ( -0.047 0.000 0.000) 0.047 20.003 ( -0.049 0.000 0.000) 0.049 20.031 ( -0.118 0.000 0.000) 0.118 20.050 ( 0.015 0.000 0.000) 0.015 20.066 ( -1.340 0.000 0.000) 1.340 20.084 ( 0.106 0.000 0.000) 0.106 20.224 ( 6.498 0.000 0.000) 6.498 20.376 ( -4.887 0.000 0.000) 4.887 20.399 ( 1.106 0.000 0.000) 1.106 21.354 ( -1.339 0.000 0.000) 1.339 21.377 ( 1.307 0.000 0.000) 1.307 21.413 ( -0.773 0.000 0.000) 0.773 21.449 ( -0.524 0.000 0.000) 0.524 21.982 ( -0.041 0.000 0.000) 0.041 21.985 ( 0.110 0.000 0.000) 0.110 22.004 ( -0.107 0.000 0.000) 0.107 22.004 ( -0.076 0.000 0.000) 0.076 23.584 ( 1.391 0.000 0.000) 1.391 23.586 ( 0.176 0.000 0.000) 0.176 23.615 ( -1.163 0.000 0.000) 1.163 23.627 ( 0.188 0.000 0.000) 0.188 25.986 ( -1.595 0.000 0.000) 1.595 26.192 ( -0.886 0.000 0.000) 0.886 26.560 ( 1.721 0.000 0.000) 1.721 26.586 ( 0.066 0.000 0.000) 0.066 27.208 ( 0.957 0.000 0.000) 0.957 27.236 ( -0.931 0.000 0.000) 0.931 27.277 ( 2.351 0.000 0.000) 2.351 27.355 ( 1.341 0.000 0.000) 1.341 27.364 ( 0.516 0.000 0.000) 0.516 27.381 ( -0.770 0.000 0.000) 0.770 27.478 ( -1.878 0.000 0.000) 1.878 27.551 ( -0.189 0.000 0.000) 0.189 31.198 ( 0.797 0.000 0.000) 0.797 31.200 ( 1.194 0.000 0.000) 1.194 31.226 ( -1.222 0.000 0.000) 1.222 31.300 ( 0.506 0.000 0.000) 0.506 31.344 ( -0.689 0.000 0.000) 0.689 31.438 ( 1.022 0.000 0.000) 1.022 31.630 ( -0.494 0.000 0.000) 0.494 31.920 ( -2.263 0.000 0.000) 2.263 33.463 ( 1.831 0.000 0.000) 1.831 33.506 ( 0.030 0.000 0.000) 0.030 33.664 ( 5.845 0.000 0.000) 5.845 33.730 ( -0.911 0.000 0.000) 0.911 33.778 ( -1.110 0.000 0.000) 1.110 33.821 ( 0.435 0.000 0.000) 0.435 33.985 ( -0.202 0.000 0.000) 0.202 34.021 ( 0.151 0.000 0.000) 0.151 34.134 ( -2.254 0.000 0.000) 2.254 34.209 ( -1.310 0.000 0.000) 1.310 34.269 ( -0.350 0.000 0.000) 0.350 34.313 ( 0.018 0.000 0.000) 0.018 35.097 ( 0.121 0.000 0.000) 0.121 35.311 ( 1.430 0.000 0.000) 1.430 35.610 ( 2.244 0.000 0.000) 2.244 36.280 ( -0.105 0.000 0.000) 0.105 36.345 ( 0.177 0.000 0.000) 0.177 36.447 ( 0.102 0.000 0.000) 0.102 36.500 ( 0.221 0.000 0.000) 0.221 37.053 ( -1.813 0.000 0.000) 1.813 38.051 ( -0.487 0.000 0.000) 0.487 38.354 ( 0.069 0.000 0.000) 0.069 38.382 ( 0.216 0.000 0.000) 0.216 38.602 ( 0.435 0.000 0.000) 0.435 ======================= Grid point 5 (4/36) ======================= q-point: ( 0.00 0.25 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 0.000 29.510 0.000) 29.510 0.683 ( 0.000 33.066 0.000) 33.066 1.185 ( 0.000 56.942 0.000) 56.942 1.573 ( 0.000 -15.724 0.000) 15.724 1.769 ( 0.000 -17.351 0.000) 17.351 1.956 ( 0.000 0.074 0.000) 0.074 2.008 ( 0.000 -0.793 0.000) 0.793 2.080 ( 0.000 3.449 0.000) 3.449 2.183 ( 0.000 2.954 0.000) 2.954 2.309 ( 0.000 -3.277 0.000) 3.277 2.371 ( 0.000 2.005 0.000) 2.005 2.386 ( 0.000 -10.100 0.000) 10.100 2.544 ( 0.000 -5.753 0.000) 5.753 2.591 ( 0.000 10.960 0.000) 10.960 2.708 ( 0.000 1.215 0.000) 1.215 2.810 ( 0.000 -3.062 0.000) 3.062 2.822 ( 0.000 -14.627 0.000) 14.627 2.945 ( 0.000 3.696 0.000) 3.696 3.007 ( 0.000 1.926 0.000) 1.926 3.067 ( 0.000 8.631 0.000) 8.631 3.093 ( 0.000 9.175 0.000) 9.175 3.201 ( 0.000 2.058 0.000) 2.058 3.220 ( 0.000 -1.733 0.000) 1.733 3.282 ( 0.000 -1.927 0.000) 1.927 3.303 ( 0.000 5.234 0.000) 5.234 3.355 ( 0.000 -2.490 0.000) 2.490 3.375 ( 0.000 -4.453 0.000) 4.453 3.391 ( 0.000 -11.558 0.000) 11.558 3.403 ( 0.000 -3.446 0.000) 3.446 3.438 ( 0.000 -1.353 0.000) 1.353 3.504 ( 0.000 -0.280 0.000) 0.280 3.519 ( 0.000 -13.511 0.000) 13.511 3.562 ( 0.000 -1.259 0.000) 1.259 3.641 ( 0.000 2.672 0.000) 2.672 3.644 ( 0.000 -0.791 0.000) 0.791 3.681 ( 0.000 -2.487 0.000) 2.487 3.730 ( 0.000 -3.634 0.000) 3.634 3.788 ( 0.000 -6.583 0.000) 6.583 3.905 ( 0.000 8.814 0.000) 8.814 3.944 ( 0.000 2.502 0.000) 2.502 3.952 ( 0.000 4.719 0.000) 4.719 3.960 ( 0.000 3.163 0.000) 3.163 4.040 ( 0.000 -3.768 0.000) 3.768 4.217 ( 0.000 -6.633 0.000) 6.633 4.229 ( 0.000 -1.558 0.000) 1.558 4.255 ( 0.000 -2.976 0.000) 2.976 4.360 ( 0.000 -7.573 0.000) 7.573 4.365 ( 0.000 -3.632 0.000) 3.632 4.512 ( 0.000 3.328 0.000) 3.328 4.636 ( 0.000 5.511 0.000) 5.511 4.649 ( 0.000 -0.685 0.000) 0.685 4.776 ( 0.000 -0.338 0.000) 0.338 4.793 ( 0.000 6.886 0.000) 6.886 4.817 ( 0.000 5.138 0.000) 5.138 4.906 ( 0.000 13.558 0.000) 13.558 5.026 ( 0.000 0.150 0.000) 0.150 5.063 ( 0.000 12.571 0.000) 12.571 5.192 ( 0.000 -6.333 0.000) 6.333 5.222 ( 0.000 4.476 0.000) 4.476 5.339 ( 0.000 4.163 0.000) 4.163 5.340 ( 0.000 0.496 0.000) 0.496 5.365 ( 0.000 0.054 0.000) 0.054 5.429 ( 0.000 -6.987 0.000) 6.987 5.455 ( 0.000 -2.250 0.000) 2.250 5.483 ( 0.000 -3.439 0.000) 3.439 5.580 ( 0.000 -2.462 0.000) 2.462 5.783 ( 0.000 6.287 0.000) 6.287 5.966 ( 0.000 -1.820 0.000) 1.820 6.010 ( 0.000 -0.205 0.000) 0.205 6.028 ( 0.000 -3.727 0.000) 3.727 6.084 ( 0.000 0.222 0.000) 0.222 6.155 ( 0.000 0.690 0.000) 0.690 6.177 ( 0.000 -0.637 0.000) 0.637 6.265 ( 0.000 -12.758 0.000) 12.758 6.417 ( 0.000 10.729 0.000) 10.729 6.459 ( 0.000 2.055 0.000) 2.055 6.658 ( 0.000 -5.838 0.000) 5.838 6.879 ( 0.000 3.341 0.000) 3.341 6.983 ( 0.000 -8.911 0.000) 8.911 7.009 ( 0.000 1.921 0.000) 1.921 7.063 ( 0.000 -0.861 0.000) 0.861 7.090 ( 0.000 3.840 0.000) 3.840 7.125 ( 0.000 0.506 0.000) 0.506 7.133 ( 0.000 -2.559 0.000) 2.559 7.174 ( 0.000 1.547 0.000) 1.547 7.267 ( 0.000 5.494 0.000) 5.494 7.343 ( 0.000 -1.116 0.000) 1.116 7.409 ( 0.000 -4.329 0.000) 4.329 7.538 ( 0.000 5.015 0.000) 5.015 7.577 ( 0.000 0.483 0.000) 0.483 7.593 ( 0.000 2.387 0.000) 2.387 7.811 ( 0.000 -4.198 0.000) 4.198 7.907 ( 0.000 1.124 0.000) 1.124 7.954 ( 0.000 -0.045 0.000) 0.045 7.954 ( 0.000 0.499 0.000) 0.499 8.058 ( 0.000 -6.172 0.000) 6.172 8.318 ( 0.000 2.826 0.000) 2.826 8.347 ( 0.000 0.730 0.000) 0.730 8.411 ( 0.000 -2.200 0.000) 2.200 8.429 ( 0.000 0.873 0.000) 0.873 8.480 ( 0.000 -1.625 0.000) 1.625 8.797 ( 0.000 -13.872 0.000) 13.872 8.844 ( 0.000 6.948 0.000) 6.948 9.162 ( 0.000 0.759 0.000) 0.759 9.223 ( 0.000 -2.505 0.000) 2.505 9.274 ( 0.000 -8.413 0.000) 8.413 9.341 ( 0.000 2.974 0.000) 2.974 9.439 ( 0.000 -0.178 0.000) 0.178 9.656 ( 0.000 15.194 0.000) 15.194 9.822 ( 0.000 9.002 0.000) 9.002 9.829 ( 0.000 0.544 0.000) 0.544 9.875 ( 0.000 4.724 0.000) 4.724 9.914 ( 0.000 1.462 0.000) 1.462 10.063 ( 0.000 -0.848 0.000) 0.848 10.123 ( 0.000 -4.051 0.000) 4.051 10.523 ( 0.000 -12.341 0.000) 12.341 11.069 ( 0.000 2.838 0.000) 2.838 11.150 ( 0.000 1.152 0.000) 1.152 11.307 ( 0.000 1.743 0.000) 1.743 11.485 ( 0.000 -3.695 0.000) 3.695 13.429 ( 0.000 1.101 0.000) 1.101 13.447 ( 0.000 0.899 0.000) 0.899 13.483 ( 0.000 -0.048 0.000) 0.048 13.486 ( 0.000 -0.200 0.000) 0.200 13.520 ( 0.000 0.226 0.000) 0.226 13.594 ( 0.000 -2.246 0.000) 2.246 13.896 ( 0.000 1.974 0.000) 1.974 13.987 ( 0.000 -1.629 0.000) 1.629 14.896 ( 0.000 0.677 0.000) 0.677 14.935 ( 0.000 -0.852 0.000) 0.852 15.459 ( 0.000 0.562 0.000) 0.562 15.524 ( 0.000 -1.790 0.000) 1.790 15.809 ( 0.000 0.907 0.000) 0.907 15.851 ( 0.000 -0.766 0.000) 0.766 15.996 ( 0.000 2.364 0.000) 2.364 16.132 ( 0.000 -3.082 0.000) 3.082 16.635 ( 0.000 2.258 0.000) 2.258 16.690 ( 0.000 -0.509 0.000) 0.509 16.780 ( 0.000 6.626 0.000) 6.626 17.108 ( 0.000 -5.641 0.000) 5.641 17.181 ( 0.000 6.248 0.000) 6.248 17.456 ( 0.000 -4.002 0.000) 4.002 17.473 ( 0.000 0.747 0.000) 0.747 17.511 ( 0.000 1.295 0.000) 1.295 17.581 ( 0.000 -4.263 0.000) 4.263 17.596 ( 0.000 -2.510 0.000) 2.510 17.726 ( 0.000 2.190 0.000) 2.190 17.796 ( 0.000 -0.996 0.000) 0.996 19.145 ( 0.000 0.052 0.000) 0.052 19.150 ( 0.000 -0.152 0.000) 0.152 19.290 ( 0.000 1.381 0.000) 1.381 19.350 ( 0.000 -0.953 0.000) 0.953 20.009 ( 0.000 0.296 0.000) 0.296 20.029 ( 0.000 -0.608 0.000) 0.608 20.058 ( 0.000 0.560 0.000) 0.560 20.059 ( 0.000 2.011 0.000) 2.011 20.075 ( 0.000 -0.240 0.000) 0.240 20.151 ( 0.000 -1.675 0.000) 1.675 20.336 ( 0.000 3.556 0.000) 3.556 20.542 ( 0.000 -4.567 0.000) 4.567 21.332 ( 0.000 1.768 0.000) 1.768 21.410 ( 0.000 -1.622 0.000) 1.622 21.467 ( 0.000 1.346 0.000) 1.346 21.519 ( 0.000 -0.955 0.000) 0.955 21.985 ( 0.000 0.379 0.000) 0.379 21.988 ( 0.000 0.302 0.000) 0.302 22.004 ( 0.000 -0.353 0.000) 0.353 22.004 ( 0.000 -0.351 0.000) 0.351 23.546 ( 0.000 0.269 0.000) 0.269 23.568 ( 0.000 -0.715 0.000) 0.715 23.654 ( 0.000 1.170 0.000) 1.170 23.701 ( 0.000 -0.791 0.000) 0.791 26.137 ( 0.000 4.837 0.000) 4.837 26.283 ( 0.000 4.636 0.000) 4.636 26.396 ( 0.000 -5.371 0.000) 5.371 26.523 ( 0.000 -4.801 0.000) 4.801 27.190 ( 0.000 0.768 0.000) 0.768 27.232 ( 0.000 0.397 0.000) 0.397 27.241 ( 0.000 -1.498 0.000) 1.498 27.253 ( 0.000 -0.462 0.000) 0.462 27.334 ( 0.000 1.514 0.000) 1.514 27.386 ( 0.000 -0.773 0.000) 0.773 27.548 ( 0.000 0.338 0.000) 0.338 27.557 ( 0.000 -0.041 0.000) 0.041 31.179 ( 0.000 0.751 0.000) 0.751 31.224 ( 0.000 6.225 0.000) 6.225 31.231 ( 0.000 -1.608 0.000) 1.608 31.308 ( 0.000 1.634 0.000) 1.634 31.361 ( 0.000 -0.777 0.000) 0.777 31.530 ( 0.000 -5.857 0.000) 5.857 31.821 ( 0.000 3.406 0.000) 3.406 31.993 ( 0.000 -3.361 0.000) 3.361 33.356 ( 0.000 0.888 0.000) 0.888 33.399 ( 0.000 -0.743 0.000) 0.743 33.523 ( 0.000 2.233 0.000) 2.233 33.631 ( 0.000 -2.100 0.000) 2.100 33.774 ( 0.000 0.910 0.000) 0.910 33.818 ( 0.000 -0.867 0.000) 0.867 34.005 ( 0.000 0.145 0.000) 0.145 34.007 ( 0.000 0.070 0.000) 0.070 34.152 ( 0.000 0.434 0.000) 0.434 34.169 ( 0.000 -0.231 0.000) 0.231 34.290 ( 0.000 0.134 0.000) 0.134 34.304 ( 0.000 -0.415 0.000) 0.415 35.113 ( 0.000 1.996 0.000) 1.996 35.218 ( 0.000 -2.118 0.000) 2.118 35.682 ( 0.000 1.550 0.000) 1.550 35.750 ( 0.000 -1.176 0.000) 1.176 36.292 ( 0.000 0.568 0.000) 0.568 36.326 ( 0.000 -0.806 0.000) 0.806 36.451 ( 0.000 0.784 0.000) 0.784 36.483 ( 0.000 -0.544 0.000) 0.544 38.317 ( 0.000 -0.013 0.000) 0.013 38.339 ( 0.000 -0.844 0.000) 0.844 38.355 ( 0.000 0.227 0.000) 0.227 38.365 ( 0.000 -0.164 0.000) 0.164 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.20 0.25 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 20.765 19.977 0.000) 28.814 0.910 ( 23.449 19.409 0.000) 30.439 1.661 ( 7.162 -13.968 0.000) 15.697 1.693 ( 31.968 26.333 0.000) 41.417 1.815 ( 7.938 -10.193 0.000) 12.919 1.940 ( -1.985 1.612 0.000) 2.557 2.018 ( 0.600 -0.952 0.000) 1.126 2.065 ( 0.535 7.245 0.000) 7.265 2.184 ( -0.074 2.191 0.000) 2.193 2.290 ( -2.527 -2.353 0.000) 3.453 2.313 ( -4.232 -9.456 0.000) 10.360 2.374 ( 0.934 0.942 0.000) 1.326 2.418 ( -14.134 10.346 0.000) 17.516 2.522 ( -2.213 -4.210 0.000) 4.756 2.685 ( -0.639 0.424 0.000) 0.767 2.753 ( -9.500 0.504 0.000) 9.513 2.833 ( 1.385 -3.904 0.000) 4.142 2.883 ( -4.909 1.965 0.000) 5.288 3.000 ( -0.531 0.879 0.000) 1.027 3.055 ( -4.633 3.862 0.000) 6.031 3.107 ( 0.833 -0.648 0.000) 1.055 3.165 ( -0.852 0.330 0.000) 0.914 3.204 ( -3.017 -1.198 0.000) 3.246 3.229 ( -4.449 2.595 0.000) 5.150 3.263 ( -2.205 -7.632 0.000) 7.944 3.292 ( 0.632 -3.878 0.000) 3.929 3.377 ( 5.853 0.781 0.000) 5.905 3.389 ( -3.118 4.804 0.000) 5.727 3.422 ( -1.033 0.335 0.000) 1.086 3.445 ( -2.472 2.885 0.000) 3.799 3.539 ( 1.380 -0.095 0.000) 1.383 3.587 ( 4.262 -12.128 0.000) 12.855 3.620 ( 1.578 -1.906 0.000) 2.474 3.621 ( 4.152 0.323 0.000) 4.164 3.653 ( 0.229 -3.318 0.000) 3.326 3.727 ( 5.024 -6.684 0.000) 8.361 3.746 ( 1.856 -5.817 0.000) 6.106 3.762 ( -1.662 -6.226 0.000) 6.444 3.910 ( -1.801 0.928 0.000) 2.026 3.946 ( 1.474 4.964 0.000) 5.178 3.967 ( 1.670 5.740 0.000) 5.978 3.999 ( 4.563 6.263 0.000) 7.749 4.065 ( 0.889 -6.037 0.000) 6.102 4.169 ( -1.302 -0.632 0.000) 1.448 4.242 ( -1.084 -3.974 0.000) 4.120 4.327 ( -2.555 -6.517 0.000) 7.000 4.345 ( -3.748 -4.771 0.000) 6.067 4.369 ( 0.596 -7.340 0.000) 7.364 4.536 ( 1.346 4.711 0.000) 4.900 4.613 ( -0.937 5.975 0.000) 6.048 4.670 ( 1.999 -0.188 0.000) 2.008 4.720 ( -3.788 4.148 0.000) 5.617 4.747 ( -0.636 -0.243 0.000) 0.681 4.861 ( 3.478 6.436 0.000) 7.316 4.910 ( -1.329 12.431 0.000) 12.502 5.027 ( -4.359 -2.140 0.000) 4.856 5.123 ( 6.093 -3.236 0.000) 6.899 5.186 ( -0.793 1.322 0.000) 1.541 5.233 ( -5.084 1.690 0.000) 5.357 5.240 ( 2.891 8.604 0.000) 9.076 5.336 ( -0.055 3.383 0.000) 3.384 5.370 ( -1.494 -1.447 0.000) 2.080 5.378 ( -2.629 -0.229 0.000) 2.639 5.475 ( -0.975 -2.818 0.000) 2.982 5.513 ( 3.049 -4.156 0.000) 5.154 5.603 ( 2.042 -1.753 0.000) 2.691 5.823 ( 3.077 3.905 0.000) 4.972 5.946 ( -1.378 -2.009 0.000) 2.436 5.987 ( -2.093 1.136 0.000) 2.381 6.061 ( -1.914 -0.843 0.000) 2.092 6.113 ( 8.070 -1.293 0.000) 8.173 6.131 ( -1.349 1.025 0.000) 1.694 6.170 ( -0.599 1.821 0.000) 1.917 6.383 ( 10.544 -13.044 0.000) 16.773 6.445 ( 2.768 9.115 0.000) 9.526 6.526 ( 4.785 -1.906 0.000) 5.151 6.674 ( 1.373 -5.728 0.000) 5.890 6.903 ( -0.288 4.354 0.000) 4.363 6.911 ( -7.289 -0.046 0.000) 7.289 6.990 ( -1.322 -4.063 0.000) 4.273 6.992 ( -2.572 3.632 0.000) 4.451 7.057 ( -3.124 -0.249 0.000) 3.134 7.116 ( -2.709 8.045 0.000) 8.488 7.125 ( -0.419 -0.793 0.000) 0.897 7.165 ( -6.199 2.977 0.000) 6.877 7.198 ( -0.104 1.718 0.000) 1.721 7.320 ( -1.693 3.514 0.000) 3.901 7.405 ( 3.596 0.576 0.000) 3.642 7.490 ( 4.575 -6.863 0.000) 8.248 7.564 ( 1.787 -2.231 0.000) 2.858 7.643 ( 2.760 0.291 0.000) 2.775 7.775 ( -1.345 2.967 0.000) 3.258 7.945 ( -0.687 0.648 0.000) 0.944 7.959 ( -0.483 4.411 0.000) 4.437 8.025 ( 3.230 -3.294 0.000) 4.614 8.045 ( -1.702 -5.847 0.000) 6.089 8.263 ( 0.764 1.971 0.000) 2.114 8.371 ( -1.665 0.110 0.000) 1.669 8.446 ( 6.969 -0.174 0.000) 6.971 8.488 ( 4.337 1.710 0.000) 4.662 8.543 ( 2.538 0.095 0.000) 2.540 8.747 ( -8.774 10.741 0.000) 13.869 8.752 ( -3.165 -8.749 0.000) 9.304 9.137 ( -5.824 3.320 0.000) 6.703 9.231 ( 4.266 -2.038 0.000) 4.728 9.253 ( -3.007 -8.314 0.000) 8.841 9.342 ( 0.379 0.148 0.000) 0.407 9.407 ( -2.971 -0.895 0.000) 3.102 9.580 ( -5.964 11.605 0.000) 13.048 9.722 ( -9.179 0.267 0.000) 9.182 9.786 ( -2.083 9.499 0.000) 9.725 9.843 ( 0.099 1.736 0.000) 1.739 9.925 ( -0.630 -0.918 0.000) 1.114 10.032 ( 0.500 5.378 0.000) 5.401 10.097 ( -2.253 -4.253 0.000) 4.813 10.395 ( -9.215 -7.988 0.000) 12.195 11.014 ( -7.996 5.410 0.000) 9.655 11.104 ( 2.010 -1.792 0.000) 2.692 11.274 ( 2.015 5.087 0.000) 5.472 11.558 ( 0.425 -8.209 0.000) 8.220 13.325 ( -3.642 2.897 0.000) 4.653 13.437 ( -3.610 0.718 0.000) 3.681 13.481 ( -0.506 -1.020 0.000) 1.138 13.522 ( 0.261 -6.023 0.000) 6.028 13.531 ( 2.569 1.793 0.000) 3.133 13.649 ( 2.063 -2.914 0.000) 3.570 13.924 ( 2.106 2.018 0.000) 2.916 14.015 ( 2.323 -1.600 0.000) 2.821 14.911 ( 1.174 0.701 0.000) 1.368 14.951 ( 1.244 -0.874 0.000) 1.520 15.550 ( 7.961 -0.099 0.000) 7.961 15.585 ( 5.523 -0.667 0.000) 5.563 15.819 ( 0.847 1.441 0.000) 1.671 15.890 ( 3.265 -1.348 0.000) 3.533 15.972 ( -2.700 2.551 0.000) 3.714 16.123 ( -2.675 -4.196 0.000) 4.976 16.625 ( -0.507 2.183 0.000) 2.241 16.699 ( 0.609 -0.588 0.000) 0.846 16.771 ( -0.865 6.156 0.000) 6.216 17.080 ( -2.444 -5.598 0.000) 6.109 17.224 ( 3.624 6.405 0.000) 7.359 17.410 ( -3.490 -3.008 0.000) 4.607 17.441 ( -2.272 -0.751 0.000) 2.393 17.521 ( 0.953 1.151 0.000) 1.494 17.594 ( -0.114 -2.017 0.000) 2.020 17.618 ( 1.441 -3.716 0.000) 3.985 17.707 ( -1.689 1.662 0.000) 2.370 17.761 ( -3.068 -0.784 0.000) 3.166 19.142 ( -0.409 -0.166 0.000) 0.441 19.144 ( -0.137 -0.087 0.000) 0.163 19.244 ( -1.219 4.030 0.000) 4.210 19.402 ( 1.494 -4.189 0.000) 4.447 20.008 ( -0.099 0.277 0.000) 0.294 20.027 ( -0.173 -0.584 0.000) 0.609 20.058 ( 0.024 0.591 0.000) 0.591 20.077 ( 0.170 -0.278 0.000) 0.325 20.106 ( 3.367 1.114 0.000) 3.547 20.130 ( -0.723 0.807 0.000) 1.083 20.363 ( 1.985 1.374 0.000) 2.415 20.472 ( -4.305 -0.936 0.000) 4.405 21.349 ( 1.503 1.197 0.000) 1.921 21.413 ( -0.655 -1.420 0.000) 1.564 21.430 ( -2.501 1.775 0.000) 3.067 21.471 ( -2.269 0.009 0.000) 2.269 21.985 ( 0.050 0.319 0.000) 0.323 21.987 ( -0.044 0.304 0.000) 0.307 22.002 ( -0.146 -0.333 0.000) 0.363 22.003 ( -0.046 -0.309 0.000) 0.313 23.552 ( 0.637 0.071 0.000) 0.641 23.573 ( 0.474 -0.736 0.000) 0.875 23.647 ( -0.571 0.963 0.000) 1.120 23.654 ( -2.022 1.381 0.000) 2.449 26.107 ( -2.298 6.145 0.000) 6.561 26.267 ( -1.301 4.677 0.000) 4.855 26.430 ( 2.539 -6.577 0.000) 7.050 26.525 ( 0.106 -5.227 0.000) 5.228 27.197 ( 0.605 0.677 0.000) 0.908 27.234 ( 1.958 1.330 0.000) 2.367 27.240 ( -0.183 -1.165 0.000) 1.179 27.310 ( 2.306 -2.711 0.000) 3.559 27.341 ( 0.690 1.169 0.000) 1.358 27.384 ( -0.146 -0.674 0.000) 0.690 27.529 ( -1.764 0.460 0.000) 1.823 27.548 ( -0.640 -0.468 0.000) 0.793 31.186 ( 0.628 0.653 0.000) 0.906 31.229 ( -0.166 -1.287 0.000) 1.298 31.238 ( 1.185 6.148 0.000) 6.261 31.307 ( -0.115 1.355 0.000) 1.360 31.353 ( -0.688 -0.720 0.000) 0.996 31.512 ( -0.739 -0.050 0.000) 0.740 31.645 ( -5.811 5.496 0.000) 7.999 31.942 ( -4.072 -4.491 0.000) 6.062 33.416 ( 2.743 -0.060 0.000) 2.744 33.453 ( 3.179 -1.842 0.000) 3.674 33.565 ( 5.011 3.823 0.000) 6.303 33.716 ( 0.915 -2.530 0.000) 2.690 33.809 ( -0.445 0.074 0.000) 0.451 33.835 ( 2.743 0.345 0.000) 2.765 33.997 ( -0.396 0.383 0.000) 0.551 34.013 ( 0.253 -0.224 0.000) 0.338 34.152 ( -0.511 -1.261 0.000) 1.360 34.189 ( -0.473 -3.943 0.000) 3.971 34.283 ( -0.519 0.322 0.000) 0.611 34.306 ( 0.046 -0.536 0.000) 0.538 35.116 ( 0.184 2.130 0.000) 2.138 35.235 ( 1.794 -2.774 0.000) 3.304 35.652 ( 5.354 10.245 0.000) 11.559 36.291 ( -0.152 0.639 0.000) 0.657 36.329 ( 0.207 -0.928 0.000) 0.950 36.440 ( 27.826 -36.686 0.000) 46.045 36.453 ( 0.235 0.839 0.000) 0.871 36.487 ( 0.346 -0.554 0.000) 0.654 38.152 ( -5.945 3.764 0.000) 7.037 38.272 ( -2.934 -3.987 0.000) 4.951 38.426 ( 3.101 2.245 0.000) 3.828 38.519 ( 5.207 -3.437 0.000) 6.239 ======================= Grid point 7 (6/36) ======================= q-point: ( 0.40 0.25 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 21.519 10.764 0.000) 24.061 1.460 ( 26.347 8.672 0.000) 27.737 1.702 ( -9.610 -0.704 0.000) 9.636 1.879 ( -3.627 -3.905 0.000) 5.330 1.909 ( 2.477 -0.926 0.000) 2.644 2.003 ( 4.182 0.443 0.000) 4.205 2.017 ( -0.698 -2.156 0.000) 2.267 2.089 ( -10.209 5.460 0.000) 11.578 2.171 ( -4.220 -2.363 0.000) 4.836 2.176 ( -0.320 -0.778 0.000) 0.841 2.235 ( -1.730 -2.176 0.000) 2.780 2.405 ( 1.513 -1.499 0.000) 2.130 2.457 ( -8.119 -2.554 0.000) 8.512 2.472 ( -1.943 -2.266 0.000) 2.985 2.681 ( 29.426 10.835 0.000) 31.357 2.704 ( 1.727 -0.112 0.000) 1.730 2.803 ( -1.672 -0.312 0.000) 1.701 2.852 ( -0.607 -5.555 0.000) 5.588 2.895 ( -4.577 -4.827 0.000) 6.652 3.003 ( -3.513 7.928 0.000) 8.672 3.052 ( 2.280 7.486 0.000) 7.826 3.156 ( -1.341 0.720 0.000) 1.523 3.174 ( -2.709 4.174 0.000) 4.976 3.191 ( -0.093 1.185 0.000) 1.188 3.253 ( -5.078 -2.819 0.000) 5.808 3.272 ( -0.247 -3.567 0.000) 3.576 3.337 ( -0.049 7.605 0.000) 7.605 3.364 ( -3.749 -2.189 0.000) 4.341 3.384 ( -1.686 3.564 0.000) 3.943 3.482 ( -2.160 1.760 0.000) 2.786 3.548 ( -0.795 -4.641 0.000) 4.709 3.630 ( 3.602 -0.560 0.000) 3.645 3.659 ( 0.190 -4.773 0.000) 4.777 3.682 ( 0.563 -3.022 0.000) 3.074 3.695 ( 2.692 -6.554 0.000) 7.085 3.750 ( 1.094 -3.457 0.000) 3.626 3.807 ( 1.695 -4.380 0.000) 4.697 3.812 ( 4.727 -5.797 0.000) 7.480 3.917 ( 0.352 -4.087 0.000) 4.102 3.984 ( 1.809 3.907 0.000) 4.306 4.005 ( -2.375 4.298 0.000) 4.911 4.047 ( -1.010 -7.296 0.000) 7.365 4.063 ( 1.072 5.992 0.000) 6.087 4.105 ( -0.962 3.403 0.000) 3.537 4.193 ( -5.458 0.403 0.000) 5.473 4.229 ( 0.238 -6.222 0.000) 6.227 4.259 ( -7.669 -2.953 0.000) 8.217 4.282 ( -1.536 -3.416 0.000) 3.745 4.573 ( 2.104 5.819 0.000) 6.188 4.610 ( 0.217 4.984 0.000) 4.988 4.686 ( 0.280 3.062 0.000) 3.075 4.746 ( 0.248 -1.993 0.000) 2.009 4.754 ( 2.766 -0.429 0.000) 2.799 4.867 ( -0.882 5.008 0.000) 5.085 4.907 ( 1.019 6.901 0.000) 6.975 4.926 ( -4.568 -3.674 0.000) 5.862 5.144 ( -2.959 -4.412 0.000) 5.313 5.175 ( 0.354 -3.028 0.000) 3.048 5.179 ( 0.711 0.826 0.000) 1.090 5.267 ( -4.332 -1.975 0.000) 4.761 5.307 ( 0.499 3.917 0.000) 3.949 5.397 ( 5.901 7.360 0.000) 9.433 5.416 ( 1.806 4.882 0.000) 5.205 5.449 ( -1.068 -1.864 0.000) 2.148 5.566 ( 1.890 -0.836 0.000) 2.066 5.629 ( -0.413 1.429 0.000) 1.488 5.879 ( 2.400 -0.679 0.000) 2.494 5.921 ( -1.035 -1.416 0.000) 1.754 5.951 ( -0.862 0.604 0.000) 1.053 6.000 ( -3.044 -0.667 0.000) 3.116 6.097 ( -1.269 0.470 0.000) 1.353 6.171 ( 0.228 -1.663 0.000) 1.679 6.357 ( 13.428 0.940 0.000) 13.460 6.511 ( 2.904 7.583 0.000) 8.120 6.590 ( 2.502 -9.745 0.000) 10.061 6.622 ( 3.638 -4.937 0.000) 6.132 6.698 ( 0.339 -5.476 0.000) 5.486 6.758 ( -2.844 0.405 0.000) 2.873 6.871 ( -0.934 5.025 0.000) 5.111 6.893 ( -7.016 0.348 0.000) 7.025 6.961 ( -0.843 -0.487 0.000) 0.973 7.028 ( -1.489 4.127 0.000) 4.388 7.091 ( 1.866 13.882 0.000) 14.007 7.098 ( -0.608 3.514 0.000) 3.566 7.118 ( 0.026 -11.427 0.000) 11.427 7.172 ( -2.243 0.014 0.000) 2.243 7.334 ( 1.450 2.874 0.000) 3.219 7.499 ( 2.362 6.703 0.000) 7.107 7.547 ( 0.801 -13.989 0.000) 14.012 7.590 ( 1.452 -2.389 0.000) 2.796 7.733 ( 2.098 -2.140 0.000) 2.996 7.777 ( 2.380 4.480 0.000) 5.073 7.892 ( -3.120 -2.739 0.000) 4.152 7.940 ( 0.693 0.913 0.000) 1.146 7.986 ( -3.377 -2.255 0.000) 4.061 8.027 ( -1.426 -11.738 0.000) 11.824 8.338 ( 2.427 4.288 0.000) 4.927 8.381 ( 3.161 5.738 0.000) 6.551 8.517 ( -7.909 4.945 0.000) 9.327 8.562 ( 3.060 5.153 0.000) 5.994 8.620 ( 3.348 11.877 0.000) 12.339 8.658 ( 7.585 -3.467 0.000) 8.340 8.721 ( 1.987 -0.989 0.000) 2.219 9.029 ( -3.203 4.930 0.000) 5.879 9.128 ( -6.639 -4.841 0.000) 8.216 9.169 ( -11.850 -1.954 0.000) 12.010 9.354 ( 0.359 -2.946 0.000) 2.968 9.364 ( -0.709 -4.164 0.000) 4.224 9.490 ( -0.091 5.138 0.000) 5.139 9.578 ( -3.123 -0.470 0.000) 3.158 9.768 ( -0.017 8.551 0.000) 8.551 9.872 ( 1.230 -1.912 0.000) 2.273 9.913 ( -0.195 -5.060 0.000) 5.064 10.042 ( 0.223 6.369 0.000) 6.373 10.052 ( -1.453 -4.228 0.000) 4.471 10.253 ( -3.762 -2.944 0.000) 4.777 10.886 ( -3.428 7.817 0.000) 8.535 11.187 ( 4.820 -1.365 0.000) 5.009 11.272 ( -2.540 0.926 0.000) 2.704 11.537 ( -1.207 -8.173 0.000) 8.261 13.277 ( -1.088 3.572 0.000) 3.734 13.372 ( -1.953 1.711 0.000) 2.596 13.470 ( -0.345 -2.229 0.000) 2.256 13.518 ( -0.168 -6.473 0.000) 6.476 13.576 ( 1.258 1.712 0.000) 2.124 13.669 ( 0.304 -2.056 0.000) 2.078 13.960 ( 1.037 2.337 0.000) 2.557 14.060 ( 1.459 -1.695 0.000) 2.236 14.933 ( 0.692 0.700 0.000) 0.984 14.973 ( 0.685 -0.901 0.000) 1.132 15.708 ( 7.302 1.248 0.000) 7.407 15.772 ( 10.418 -1.594 0.000) 10.540 15.836 ( 0.550 2.366 0.000) 2.429 15.878 ( -5.382 2.521 0.000) 5.943 15.954 ( 2.125 -2.311 0.000) 3.139 16.003 ( -8.692 -2.828 0.000) 9.140 16.623 ( 0.155 2.379 0.000) 2.384 16.711 ( 0.493 -0.938 0.000) 1.060 16.750 ( -0.825 5.254 0.000) 5.319 17.031 ( -1.617 -5.462 0.000) 5.697 17.279 ( 0.813 2.096 0.000) 2.248 17.349 ( -1.807 -5.099 0.000) 5.410 17.417 ( 0.366 3.221 0.000) 3.242 17.543 ( 0.834 0.987 0.000) 1.292 17.597 ( 0.392 -1.251 0.000) 1.311 17.628 ( -0.141 -0.286 0.000) 0.319 17.672 ( -1.247 0.682 0.000) 1.421 17.694 ( -2.512 -0.333 0.000) 2.534 19.137 ( -0.098 -0.385 0.000) 0.397 19.141 ( -0.063 -0.268 0.000) 0.275 19.234 ( -0.116 3.401 0.000) 3.403 19.414 ( 0.103 -4.235 0.000) 4.236 20.006 ( -0.058 0.249 0.000) 0.256 20.024 ( -0.099 -0.552 0.000) 0.560 20.059 ( 0.018 0.632 0.000) 0.632 20.080 ( 0.091 -0.327 0.000) 0.339 20.095 ( -0.825 2.736 0.000) 2.857 20.215 ( 4.547 -1.338 0.000) 4.740 20.382 ( -2.514 0.507 0.000) 2.565 20.403 ( -0.137 0.314 0.000) 0.343 21.370 ( -1.521 1.181 0.000) 1.926 21.378 ( 0.877 0.185 0.000) 0.896 21.414 ( -0.309 0.062 0.000) 0.316 21.439 ( -0.785 -0.900 0.000) 1.194 21.985 ( -0.051 0.229 0.000) 0.235 21.988 ( 0.095 0.307 0.000) 0.321 21.999 ( -0.123 -0.337 0.000) 0.359 22.002 ( -0.034 -0.213 0.000) 0.216 23.566 ( 0.517 -0.459 0.000) 0.691 23.585 ( 0.528 -0.941 0.000) 1.079 23.626 ( -0.834 1.178 0.000) 1.443 23.640 ( -0.135 0.613 0.000) 0.628 26.068 ( -1.087 7.803 0.000) 7.879 26.244 ( -0.709 5.104 0.000) 5.153 26.472 ( 1.118 -8.187 0.000) 8.263 26.526 ( 0.033 -5.764 0.000) 5.764 27.212 ( 0.755 0.363 0.000) 0.838 27.232 ( -0.549 -0.424 0.000) 0.693 27.286 ( 2.129 0.802 0.000) 2.275 27.343 ( 0.914 -1.703 0.000) 1.933 27.359 ( 0.925 0.393 0.000) 1.005 27.378 ( -0.536 -0.329 0.000) 0.629 27.487 ( -1.670 0.846 0.000) 1.872 27.536 ( -0.410 -1.272 0.000) 1.337 31.203 ( 0.943 0.312 0.000) 0.993 31.221 ( -0.687 -0.419 0.000) 0.804 31.260 ( 0.686 5.871 0.000) 5.911 31.307 ( 0.149 0.673 0.000) 0.689 31.338 ( -0.616 -0.566 0.000) 0.836 31.522 ( 1.328 4.629 0.000) 4.816 31.575 ( -2.128 -2.339 0.000) 3.162 31.868 ( -2.257 -5.105 0.000) 5.582 33.468 ( 1.919 0.346 0.000) 1.950 33.492 ( 0.758 -0.957 0.000) 1.221 33.671 ( 3.048 0.674 0.000) 3.122 33.715 ( -0.459 -1.121 0.000) 1.211 33.809 ( 0.996 2.945 0.000) 3.109 33.861 ( 0.364 2.511 0.000) 2.537 33.991 ( -0.168 0.525 0.000) 0.551 34.016 ( 0.079 -0.459 0.000) 0.466 34.124 ( -2.056 -0.905 0.000) 2.247 34.164 ( -0.652 -3.628 0.000) 3.686 34.274 ( -0.273 0.558 0.000) 0.622 34.306 ( -0.015 -0.664 0.000) 0.664 35.121 ( 0.194 2.391 0.000) 2.399 35.271 ( 1.144 -3.625 0.000) 3.802 35.761 ( 3.496 14.697 0.000) 15.107 36.288 ( -0.077 0.736 0.000) 0.740 36.332 ( 0.111 -1.103 0.000) 1.109 36.458 ( 0.141 0.929 0.000) 0.939 36.494 ( 0.214 -0.575 0.000) 0.613 36.730 ( 4.720 -27.087 0.000) 27.495 38.081 ( -1.446 2.241 0.000) 2.667 38.233 ( -0.867 -6.326 0.000) 6.386 38.469 ( 1.021 3.777 0.000) 3.913 38.578 ( 1.184 -2.021 0.000) 2.342 ======================= Grid point 10 (7/36) ======================= q-point: ( 0.00 -0.50 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 0.000 -24.918 0.000) 24.918 1.158 ( 0.000 24.918 0.000) 24.918 1.297 ( 0.000 -27.710 0.000) 27.710 1.297 ( 0.000 27.710 0.000) 27.710 1.976 ( 0.000 -1.768 0.000) 1.768 1.976 ( 0.000 1.768 0.000) 1.768 2.193 ( 0.000 -7.528 0.000) 7.528 2.193 ( 0.000 7.528 0.000) 7.528 2.235 ( 0.000 -43.791 0.000) 43.791 2.235 ( 0.000 43.791 0.000) 43.791 2.246 ( 0.000 -3.090 0.000) 3.090 2.246 ( 0.000 3.090 0.000) 3.090 2.435 ( 0.000 -4.501 0.000) 4.501 2.435 ( 0.000 4.501 0.000) 4.501 2.751 ( 0.000 -2.750 0.000) 2.750 2.751 ( 0.000 2.750 0.000) 2.750 2.904 ( 0.000 -20.245 0.000) 20.245 2.904 ( 0.000 20.245 0.000) 20.245 3.009 ( 0.000 -2.044 0.000) 2.044 3.009 ( 0.000 2.044 0.000) 2.044 3.192 ( 0.000 -3.392 0.000) 3.392 3.192 ( 0.000 3.392 0.000) 3.392 3.252 ( 0.000 -2.336 0.000) 2.336 3.252 ( 0.000 2.336 0.000) 2.336 3.266 ( 0.000 -7.005 0.000) 7.005 3.266 ( 0.000 7.005 0.000) 7.005 3.338 ( 0.000 -1.796 0.000) 1.796 3.338 ( 0.000 1.796 0.000) 1.796 3.387 ( 0.000 -3.063 0.000) 3.063 3.387 ( 0.000 3.063 0.000) 3.063 3.530 ( 0.000 -2.680 0.000) 2.680 3.530 ( 0.000 2.680 0.000) 2.680 3.562 ( 0.000 -5.664 0.000) 5.664 3.562 ( 0.000 5.664 0.000) 5.664 3.667 ( 0.000 -2.185 0.000) 2.185 3.667 ( 0.000 2.185 0.000) 2.185 3.697 ( 0.000 -2.727 0.000) 2.727 3.697 ( 0.000 2.727 0.000) 2.727 3.976 ( 0.000 -2.038 0.000) 2.038 3.976 ( 0.000 2.038 0.000) 2.038 4.025 ( 0.000 -0.287 0.000) 0.287 4.025 ( 0.000 0.287 0.000) 0.287 4.075 ( 0.000 -6.995 0.000) 6.995 4.075 ( 0.000 6.995 0.000) 6.995 4.230 ( 0.000 -3.290 0.000) 3.290 4.230 ( 0.000 3.290 0.000) 3.290 4.262 ( 0.000 -4.479 0.000) 4.479 4.262 ( 0.000 4.479 0.000) 4.479 4.607 ( 0.000 -3.754 0.000) 3.754 4.607 ( 0.000 3.754 0.000) 3.754 4.729 ( 0.000 -3.762 0.000) 3.762 4.729 ( 0.000 3.762 0.000) 3.762 4.943 ( 0.000 -7.108 0.000) 7.108 4.943 ( 0.000 7.108 0.000) 7.108 4.970 ( 0.000 -8.898 0.000) 8.898 4.970 ( 0.000 8.898 0.000) 8.898 5.208 ( 0.000 -10.442 0.000) 10.442 5.208 ( 0.000 10.442 0.000) 10.442 5.294 ( 0.000 -7.136 0.000) 7.136 5.294 ( 0.000 7.136 0.000) 7.136 5.398 ( 0.000 -1.557 0.000) 1.557 5.398 ( 0.000 1.557 0.000) 1.557 5.405 ( 0.000 -5.720 0.000) 5.720 5.405 ( 0.000 5.720 0.000) 5.720 5.441 ( 0.000 -9.862 0.000) 9.862 5.441 ( 0.000 9.862 0.000) 9.862 5.940 ( 0.000 -7.761 0.000) 7.761 5.940 ( 0.000 7.761 0.000) 7.761 5.960 ( 0.000 -1.880 0.000) 1.880 5.960 ( 0.000 1.880 0.000) 1.880 6.097 ( 0.000 -2.300 0.000) 2.300 6.097 ( 0.000 2.300 0.000) 2.300 6.164 ( 0.000 -0.458 0.000) 0.458 6.164 ( 0.000 0.458 0.000) 0.458 6.542 ( 0.000 -5.515 0.000) 5.515 6.542 ( 0.000 5.515 0.000) 5.515 6.701 ( 0.000 -16.534 0.000) 16.534 6.701 ( 0.000 16.534 0.000) 16.534 6.974 ( 0.000 -6.000 0.000) 6.000 6.974 ( 0.000 6.000 0.000) 6.000 7.066 ( 0.000 -3.685 0.000) 3.685 7.066 ( 0.000 3.685 0.000) 3.685 7.113 ( 0.000 -0.229 0.000) 0.229 7.113 ( 0.000 0.229 0.000) 0.229 7.276 ( 0.000 -6.165 0.000) 6.165 7.276 ( 0.000 6.165 0.000) 6.165 7.371 ( 0.000 -3.196 0.000) 3.196 7.371 ( 0.000 3.196 0.000) 3.196 7.578 ( 0.000 -0.697 0.000) 0.697 7.578 ( 0.000 0.697 0.000) 0.697 7.705 ( 0.000 -6.323 0.000) 6.323 7.705 ( 0.000 6.323 0.000) 6.323 7.930 ( 0.000 -1.525 0.000) 1.525 7.930 ( 0.000 1.525 0.000) 1.525 7.978 ( 0.000 -2.277 0.000) 2.277 7.978 ( 0.000 2.277 0.000) 2.277 8.381 ( 0.000 -1.221 0.000) 1.221 8.381 ( 0.000 1.221 0.000) 1.221 8.388 ( 0.000 -1.009 0.000) 1.009 8.388 ( 0.000 1.009 0.000) 1.009 8.527 ( 0.000 -10.749 0.000) 10.749 8.527 ( 0.000 10.749 0.000) 10.749 9.066 ( 0.000 -12.023 0.000) 12.023 9.066 ( 0.000 12.023 0.000) 12.023 9.184 ( 0.000 -1.477 0.000) 1.477 9.184 ( 0.000 1.477 0.000) 1.477 9.405 ( 0.000 -2.932 0.000) 2.932 9.405 ( 0.000 2.932 0.000) 2.932 9.818 ( 0.000 -2.322 0.000) 2.322 9.818 ( 0.000 2.322 0.000) 2.322 9.946 ( 0.000 -0.792 0.000) 0.792 9.946 ( 0.000 0.792 0.000) 0.792 10.001 ( 0.000 -7.968 0.000) 7.968 10.001 ( 0.000 7.968 0.000) 7.968 10.214 ( 0.000 -16.370 0.000) 16.370 10.214 ( 0.000 16.370 0.000) 16.370 11.129 ( 0.000 -2.720 0.000) 2.720 11.129 ( 0.000 2.720 0.000) 2.720 11.388 ( 0.000 -5.451 0.000) 5.451 11.388 ( 0.000 5.451 0.000) 5.451 13.451 ( 0.000 -0.747 0.000) 0.747 13.451 ( 0.000 0.747 0.000) 0.747 13.483 ( 0.000 -0.082 0.000) 0.082 13.483 ( 0.000 0.082 0.000) 0.082 13.544 ( 0.000 -2.273 0.000) 2.273 13.544 ( 0.000 2.273 0.000) 2.273 13.944 ( 0.000 -2.525 0.000) 2.525 13.944 ( 0.000 2.525 0.000) 2.525 14.915 ( 0.000 -1.073 0.000) 1.073 14.915 ( 0.000 1.073 0.000) 1.073 15.484 ( 0.000 -1.879 0.000) 1.879 15.484 ( 0.000 1.879 0.000) 1.879 15.831 ( 0.000 -1.178 0.000) 1.178 15.831 ( 0.000 1.178 0.000) 1.178 16.059 ( 0.000 -3.762 0.000) 3.762 16.059 ( 0.000 3.762 0.000) 3.762 16.672 ( 0.000 -1.379 0.000) 1.379 16.672 ( 0.000 1.379 0.000) 1.379 16.951 ( 0.000 -9.290 0.000) 9.290 16.951 ( 0.000 9.290 0.000) 9.290 17.335 ( 0.000 -7.948 0.000) 7.948 17.335 ( 0.000 7.948 0.000) 7.948 17.503 ( 0.000 -2.636 0.000) 2.636 17.503 ( 0.000 2.636 0.000) 2.636 17.547 ( 0.000 -2.248 0.000) 2.248 17.547 ( 0.000 2.248 0.000) 2.248 17.767 ( 0.000 -1.810 0.000) 1.810 17.767 ( 0.000 1.810 0.000) 1.810 19.147 ( 0.000 -0.117 0.000) 0.117 19.147 ( 0.000 0.117 0.000) 0.117 19.323 ( 0.000 -1.652 0.000) 1.652 19.323 ( 0.000 1.652 0.000) 1.652 20.017 ( 0.000 -0.519 0.000) 0.519 20.017 ( 0.000 0.519 0.000) 0.519 20.068 ( 0.000 -0.445 0.000) 0.445 20.068 ( 0.000 0.445 0.000) 0.445 20.107 ( 0.000 -2.560 0.000) 2.560 20.107 ( 0.000 2.560 0.000) 2.560 20.433 ( 0.000 -5.721 0.000) 5.721 20.433 ( 0.000 5.721 0.000) 5.721 21.373 ( 0.000 -2.077 0.000) 2.077 21.373 ( 0.000 2.077 0.000) 2.077 21.495 ( 0.000 -1.398 0.000) 1.398 21.495 ( 0.000 1.398 0.000) 1.398 21.994 ( 0.000 -0.536 0.000) 0.536 21.994 ( 0.000 0.536 0.000) 0.536 21.996 ( 0.000 -0.443 0.000) 0.443 21.996 ( 0.000 0.443 0.000) 0.443 23.554 ( 0.000 -0.576 0.000) 0.576 23.554 ( 0.000 0.576 0.000) 0.576 23.680 ( 0.000 -1.265 0.000) 1.265 23.680 ( 0.000 1.265 0.000) 1.265 26.263 ( 0.000 -7.179 0.000) 7.179 26.263 ( 0.000 7.179 0.000) 7.179 26.402 ( 0.000 -6.649 0.000) 6.649 26.402 ( 0.000 6.649 0.000) 6.649 27.211 ( 0.000 -1.342 0.000) 1.342 27.211 ( 0.000 1.342 0.000) 1.342 27.242 ( 0.000 -0.571 0.000) 0.571 27.242 ( 0.000 0.571 0.000) 0.571 27.364 ( 0.000 -1.358 0.000) 1.358 27.364 ( 0.000 1.358 0.000) 1.358 27.554 ( 0.000 -0.253 0.000) 0.253 27.554 ( 0.000 0.253 0.000) 0.253 31.200 ( 0.000 -1.333 0.000) 1.333 31.200 ( 0.000 1.333 0.000) 1.333 31.339 ( 0.000 -1.370 0.000) 1.370 31.339 ( 0.000 1.370 0.000) 1.370 31.379 ( 0.000 -8.480 0.000) 8.480 31.379 ( 0.000 8.480 0.000) 8.480 31.907 ( 0.000 -4.775 0.000) 4.775 31.907 ( 0.000 4.775 0.000) 4.775 33.379 ( 0.000 -1.196 0.000) 1.196 33.379 ( 0.000 1.196 0.000) 1.196 33.578 ( 0.000 -2.979 0.000) 2.979 33.578 ( 0.000 2.979 0.000) 2.979 33.796 ( 0.000 -1.245 0.000) 1.245 33.796 ( 0.000 1.245 0.000) 1.245 34.007 ( 0.000 -0.052 0.000) 0.052 34.007 ( 0.000 0.052 0.000) 0.052 34.162 ( 0.000 -0.464 0.000) 0.464 34.162 ( 0.000 0.464 0.000) 0.464 34.296 ( 0.000 -0.389 0.000) 0.389 34.296 ( 0.000 0.389 0.000) 0.389 35.165 ( 0.000 -2.898 0.000) 2.898 35.165 ( 0.000 2.898 0.000) 2.898 35.719 ( 0.000 -1.875 0.000) 1.875 35.719 ( 0.000 1.875 0.000) 1.875 36.308 ( 0.000 -0.919 0.000) 0.919 36.308 ( 0.000 0.919 0.000) 0.919 36.468 ( 0.000 -0.887 0.000) 0.887 36.468 ( 0.000 0.887 0.000) 0.887 38.323 ( 0.000 -0.627 0.000) 0.627 38.323 ( 0.000 0.627 0.000) 0.627 38.360 ( 0.000 -0.290 0.000) 0.290 38.360 ( 0.000 0.290 0.000) 0.290 ======================= Grid point 12 (8/36) ======================= q-point: ( 0.20 -0.50 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 12.165 -21.252 0.000) 24.487 1.298 ( 12.165 21.252 0.000) 24.487 1.372 ( 9.384 -23.962 0.000) 25.734 1.372 ( 9.384 23.962 0.000) 25.734 1.981 ( 0.029 -2.309 0.000) 2.309 1.981 ( 0.029 2.309 0.000) 2.309 2.104 ( -2.680 -9.243 0.000) 9.624 2.104 ( -2.680 9.243 0.000) 9.624 2.236 ( -1.307 -2.815 0.000) 3.103 2.236 ( -1.307 2.815 0.000) 3.103 2.429 ( -0.680 -4.209 0.000) 4.264 2.429 ( -0.680 4.209 0.000) 4.264 2.518 ( 12.447 -23.192 0.000) 26.321 2.518 ( 12.447 23.192 0.000) 26.321 2.742 ( -0.570 -4.391 0.000) 4.428 2.742 ( -0.570 4.391 0.000) 4.428 2.760 ( -5.879 -24.269 0.000) 24.971 2.760 ( -5.879 24.269 0.000) 24.971 2.940 ( -6.279 -3.669 0.000) 7.272 2.940 ( -6.279 3.669 0.000) 7.272 3.164 ( -1.315 -4.173 0.000) 4.376 3.164 ( -1.315 4.173 0.000) 4.376 3.169 ( -1.390 -2.870 0.000) 3.189 3.169 ( -1.390 2.870 0.000) 3.189 3.254 ( -0.252 -1.763 0.000) 1.781 3.254 ( -0.252 1.763 0.000) 1.781 3.397 ( -2.041 -1.968 0.000) 2.835 3.397 ( -2.041 1.968 0.000) 2.835 3.478 ( 1.726 -1.198 0.000) 2.101 3.478 ( 1.726 1.198 0.000) 2.101 3.567 ( 1.301 -5.984 0.000) 6.124 3.567 ( 1.301 5.984 0.000) 6.124 3.584 ( 4.499 -4.321 0.000) 6.238 3.584 ( 4.499 4.321 0.000) 6.238 3.633 ( -0.807 -3.208 0.000) 3.308 3.633 ( -0.807 3.208 0.000) 3.308 3.666 ( 0.120 -3.936 0.000) 3.938 3.666 ( 0.120 3.936 0.000) 3.938 3.950 ( -1.462 -3.379 0.000) 3.682 3.950 ( -1.462 3.379 0.000) 3.682 4.051 ( 2.140 -3.495 0.000) 4.098 4.051 ( 2.140 3.495 0.000) 4.098 4.127 ( 3.534 -6.815 0.000) 7.677 4.127 ( 3.534 6.815 0.000) 7.677 4.212 ( -1.459 -3.804 0.000) 4.074 4.212 ( -1.459 3.804 0.000) 4.074 4.269 ( -1.776 -1.829 0.000) 2.550 4.269 ( -1.776 1.829 0.000) 2.550 4.630 ( 1.770 -3.464 0.000) 3.890 4.630 ( 1.770 3.464 0.000) 3.890 4.709 ( -1.112 -3.478 0.000) 3.652 4.709 ( -1.112 3.478 0.000) 3.652 4.870 ( -6.198 -9.830 0.000) 11.621 4.870 ( -6.198 9.830 0.000) 11.621 5.007 ( 4.067 -7.330 0.000) 8.383 5.007 ( 4.067 7.330 0.000) 8.383 5.157 ( -4.287 -9.104 0.000) 10.063 5.157 ( -4.287 9.104 0.000) 10.063 5.284 ( -4.643 -3.537 0.000) 5.837 5.284 ( -4.643 3.537 0.000) 5.837 5.409 ( -0.553 -3.701 0.000) 3.742 5.409 ( -0.553 3.701 0.000) 3.742 5.426 ( 4.770 -3.781 0.000) 6.087 5.426 ( 4.770 3.781 0.000) 6.087 5.475 ( 4.236 -11.286 0.000) 12.055 5.475 ( 4.236 11.286 0.000) 12.055 5.895 ( -1.264 -3.042 0.000) 3.294 5.895 ( -1.264 3.042 0.000) 3.294 6.022 ( -0.604 -2.154 0.000) 2.237 6.022 ( -0.604 2.154 0.000) 2.237 6.159 ( -0.956 -1.535 0.000) 1.809 6.159 ( -0.956 1.535 0.000) 1.809 6.164 ( 9.640 -7.107 0.000) 11.977 6.164 ( 9.640 7.107 0.000) 11.977 6.560 ( 1.863 -4.723 0.000) 5.077 6.560 ( 1.863 4.723 0.000) 5.077 6.711 ( 0.909 -15.649 0.000) 15.676 6.711 ( 0.909 15.649 0.000) 15.676 6.993 ( -2.639 -3.082 0.000) 4.057 6.993 ( -2.639 3.082 0.000) 4.057 7.008 ( -5.205 -4.646 0.000) 6.977 7.008 ( -5.205 4.646 0.000) 6.977 7.092 ( 2.327 -3.312 0.000) 4.048 7.092 ( 2.327 3.312 0.000) 4.048 7.337 ( 4.745 -6.658 0.000) 8.176 7.337 ( 4.745 6.658 0.000) 8.176 7.345 ( -2.641 -8.935 0.000) 9.317 7.345 ( -2.641 8.935 0.000) 9.317 7.451 ( -4.987 -8.355 0.000) 9.730 7.451 ( -4.987 8.355 0.000) 9.730 7.721 ( 0.779 -7.053 0.000) 7.096 7.721 ( 0.779 7.053 0.000) 7.096 7.970 ( -0.651 -2.285 0.000) 2.376 7.970 ( -0.651 2.285 0.000) 2.376 8.003 ( 0.141 -0.353 0.000) 0.380 8.003 ( 0.141 0.353 0.000) 0.380 8.390 ( 2.401 -7.208 0.000) 7.597 8.390 ( 2.401 7.208 0.000) 7.597 8.420 ( 2.964 -4.540 0.000) 5.422 8.420 ( 2.964 4.540 0.000) 5.422 8.569 ( 4.823 -4.828 0.000) 6.825 8.569 ( 4.823 4.828 0.000) 6.825 9.027 ( -3.875 -13.749 0.000) 14.284 9.027 ( -3.875 13.749 0.000) 14.284 9.196 ( -0.230 -2.039 0.000) 2.052 9.196 ( -0.230 2.039 0.000) 2.052 9.373 ( -2.635 -2.234 0.000) 3.454 9.373 ( -2.635 2.234 0.000) 3.454 9.723 ( -8.556 -2.137 0.000) 8.819 9.723 ( -8.556 2.137 0.000) 8.819 9.890 ( -3.452 -2.211 0.000) 4.100 9.890 ( -3.452 2.211 0.000) 4.100 9.971 ( -2.326 -8.162 0.000) 8.487 9.971 ( -2.326 8.162 0.000) 8.487 10.193 ( -1.956 -10.792 0.000) 10.968 10.193 ( -1.956 10.792 0.000) 10.968 11.076 ( -2.052 -1.518 0.000) 2.552 11.076 ( -2.052 1.518 0.000) 2.552 11.399 ( -0.541 -7.286 0.000) 7.306 11.399 ( -0.541 7.286 0.000) 7.306 13.404 ( -2.222 -4.947 0.000) 5.423 13.404 ( -2.222 4.947 0.000) 5.423 13.457 ( -2.109 -1.190 0.000) 2.422 13.457 ( -2.109 1.190 0.000) 2.422 13.589 ( 2.349 -3.096 0.000) 3.886 13.589 ( 2.349 3.096 0.000) 3.886 13.972 ( 2.274 -2.518 0.000) 3.393 13.972 ( 2.274 2.518 0.000) 3.393 14.929 ( 1.207 -1.106 0.000) 1.637 14.929 ( 1.207 1.106 0.000) 1.637 15.562 ( 6.964 -1.204 0.000) 7.067 15.562 ( 6.964 1.204 0.000) 7.067 15.855 ( 2.035 -1.965 0.000) 2.829 15.855 ( 2.035 1.965 0.000) 2.829 16.039 ( -2.528 -4.006 0.000) 4.738 16.039 ( -2.528 4.006 0.000) 4.738 16.671 ( 0.027 -2.042 0.000) 2.042 16.671 ( 0.027 2.042 0.000) 2.042 16.929 ( -1.908 -8.705 0.000) 8.912 16.929 ( -1.908 8.705 0.000) 8.912 17.345 ( -1.170 -4.129 0.000) 4.292 17.345 ( -1.170 4.129 0.000) 4.292 17.494 ( 1.122 -6.355 0.000) 6.454 17.494 ( 1.122 6.355 0.000) 6.454 17.553 ( 0.578 -1.927 0.000) 2.012 17.553 ( 0.578 1.927 0.000) 2.012 17.739 ( -2.517 -1.417 0.000) 2.889 17.739 ( -2.517 1.417 0.000) 2.889 19.142 ( -0.375 -0.066 0.000) 0.380 19.142 ( -0.375 0.066 0.000) 0.380 19.322 ( -0.113 -3.849 0.000) 3.851 19.322 ( -0.113 3.849 0.000) 3.851 20.016 ( -0.136 -0.494 0.000) 0.513 20.016 ( -0.136 0.494 0.000) 0.513 20.069 ( 0.096 -0.499 0.000) 0.508 20.069 ( 0.096 0.499 0.000) 0.508 20.130 ( 1.821 -0.911 0.000) 2.036 20.130 ( 1.821 0.911 0.000) 2.036 20.416 ( -1.183 -3.556 0.000) 3.747 20.416 ( -1.183 3.556 0.000) 3.747 21.380 ( 0.490 -1.692 0.000) 1.761 21.380 ( 0.490 1.692 0.000) 1.761 21.460 ( -2.589 -1.052 0.000) 2.795 21.460 ( -2.589 1.052 0.000) 2.795 21.993 ( -0.101 -0.199 0.000) 0.223 21.993 ( -0.101 0.199 0.000) 0.223 21.996 ( 0.010 -0.182 0.000) 0.182 21.996 ( 0.010 0.182 0.000) 0.182 23.559 ( 0.420 -0.606 0.000) 0.737 23.559 ( 0.420 0.606 0.000) 0.737 23.662 ( -1.261 -0.410 0.000) 1.326 23.662 ( -1.261 0.410 0.000) 1.326 26.265 ( 0.141 -8.932 0.000) 8.933 26.265 ( 0.141 8.932 0.000) 8.933 26.394 ( -0.695 -7.184 0.000) 7.218 26.394 ( -0.695 7.184 0.000) 7.218 27.215 ( 0.321 -1.154 0.000) 1.198 27.215 ( 0.321 1.154 0.000) 1.198 27.265 ( 2.046 -1.824 0.000) 2.741 27.265 ( 2.046 1.824 0.000) 2.741 27.366 ( 0.161 -1.155 0.000) 1.166 27.366 ( 0.161 1.155 0.000) 1.166 27.539 ( -1.371 -0.486 0.000) 1.454 27.539 ( -1.371 0.486 0.000) 1.454 31.204 ( 0.335 -1.140 0.000) 1.188 31.204 ( 0.335 1.140 0.000) 1.188 31.333 ( -0.505 -1.235 0.000) 1.335 31.333 ( -0.505 1.235 0.000) 1.335 31.391 ( 0.971 -8.274 0.000) 8.331 31.391 ( 0.971 8.274 0.000) 8.331 31.814 ( -6.174 -8.134 0.000) 10.212 31.814 ( -6.174 8.134 0.000) 10.212 33.425 ( 2.982 -0.978 0.000) 3.138 33.425 ( 2.982 0.978 0.000) 3.138 33.649 ( 4.194 -4.207 0.000) 5.940 33.649 ( 4.194 4.207 0.000) 5.940 33.820 ( 2.258 -1.064 0.000) 2.496 33.820 ( 2.258 1.064 0.000) 2.496 34.006 ( -0.102 -0.442 0.000) 0.453 34.006 ( -0.102 0.442 0.000) 0.453 34.146 ( -1.451 -0.994 0.000) 1.759 34.146 ( -1.451 0.994 0.000) 1.759 34.293 ( -0.200 -0.618 0.000) 0.649 34.293 ( -0.200 0.618 0.000) 0.649 35.172 ( 0.732 -3.260 0.000) 3.342 35.172 ( 0.732 3.260 0.000) 3.342 35.926 ( 15.385 -17.777 0.000) 23.510 35.926 ( 15.385 17.777 0.000) 23.510 36.308 ( 0.004 -1.041 0.000) 1.041 36.308 ( 0.004 1.041 0.000) 1.041 36.472 ( 0.311 -0.919 0.000) 0.970 36.472 ( 0.311 0.919 0.000) 0.970 38.208 ( -5.290 -2.581 0.000) 5.886 38.208 ( -5.290 2.581 0.000) 5.886 38.468 ( 4.709 -2.092 0.000) 5.153 38.468 ( 4.709 2.092 0.000) 5.153 ======================= Grid point 14 (9/36) ======================= q-point: ( 0.40 -0.50 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 11.271 -11.739 0.000) 16.273 1.570 ( 11.271 11.739 0.000) 16.273 1.678 ( 16.864 -12.378 0.000) 20.919 1.678 ( 16.864 12.378 0.000) 20.919 1.946 ( -3.640 -4.014 0.000) 5.419 1.946 ( -3.640 4.014 0.000) 5.419 2.064 ( -1.800 -4.770 0.000) 5.099 2.064 ( -1.800 4.770 0.000) 5.099 2.188 ( -2.249 -1.960 0.000) 2.984 2.188 ( -2.249 1.960 0.000) 2.984 2.314 ( -15.861 -10.737 0.000) 19.153 2.314 ( -15.861 10.737 0.000) 19.153 2.417 ( -0.204 -2.476 0.000) 2.484 2.417 ( -0.204 2.476 0.000) 2.484 2.745 ( 0.984 -4.137 0.000) 4.252 2.745 ( 0.984 4.137 0.000) 4.252 2.825 ( -3.899 -2.158 0.000) 4.457 2.825 ( -3.899 2.158 0.000) 4.457 3.029 ( 14.087 -19.170 0.000) 23.790 3.029 ( 14.087 19.170 0.000) 23.790 3.140 ( -1.246 -4.997 0.000) 5.150 3.140 ( -1.246 4.997 0.000) 5.150 3.179 ( 1.182 -3.906 0.000) 4.081 3.179 ( 1.182 3.906 0.000) 4.081 3.228 ( -1.672 -4.937 0.000) 5.212 3.228 ( -1.672 4.937 0.000) 5.212 3.345 ( -1.272 -6.886 0.000) 7.002 3.345 ( -1.272 6.886 0.000) 7.002 3.452 ( -1.230 -2.201 0.000) 2.521 3.452 ( -1.230 2.201 0.000) 2.521 3.532 ( -2.414 -8.021 0.000) 8.377 3.532 ( -2.414 8.021 0.000) 8.377 3.646 ( 2.218 -2.544 0.000) 3.375 3.646 ( 2.218 2.544 0.000) 3.375 3.693 ( 5.078 -4.730 0.000) 6.940 3.693 ( 5.078 4.730 0.000) 6.940 3.741 ( 3.041 -1.690 0.000) 3.478 3.741 ( 3.041 1.690 0.000) 3.478 3.919 ( -2.355 -3.574 0.000) 4.280 3.919 ( -2.355 3.574 0.000) 4.280 4.093 ( 1.411 -6.353 0.000) 6.507 4.093 ( 1.411 6.353 0.000) 6.507 4.114 ( -9.189 -5.786 0.000) 10.859 4.114 ( -9.189 5.786 0.000) 10.859 4.189 ( -0.487 -5.631 0.000) 5.652 4.189 ( -0.487 5.631 0.000) 5.652 4.204 ( 2.011 -4.404 0.000) 4.841 4.204 ( 2.011 4.404 0.000) 4.841 4.648 ( -0.281 -2.955 0.000) 2.968 4.648 ( -0.281 2.955 0.000) 2.968 4.695 ( -0.303 -3.368 0.000) 3.382 4.695 ( -0.303 3.368 0.000) 3.382 4.830 ( 2.340 -5.475 0.000) 5.954 4.830 ( 2.340 5.475 0.000) 5.954 5.023 ( -6.823 -7.548 0.000) 10.175 5.023 ( -6.823 7.548 0.000) 10.175 5.058 ( 0.900 -7.483 0.000) 7.537 5.058 ( 0.900 7.483 0.000) 7.537 5.214 ( -1.457 -2.660 0.000) 3.033 5.214 ( -1.457 2.660 0.000) 3.033 5.394 ( -0.497 -3.673 0.000) 3.707 5.394 ( -0.497 3.673 0.000) 3.707 5.515 ( 2.822 -4.288 0.000) 5.133 5.515 ( 2.822 4.288 0.000) 5.133 5.581 ( 4.333 -7.830 0.000) 8.948 5.581 ( 4.333 7.830 0.000) 8.948 5.874 ( -1.106 -1.812 0.000) 2.123 5.874 ( -1.106 1.812 0.000) 2.123 5.977 ( -1.952 -1.546 0.000) 2.490 5.977 ( -1.952 1.546 0.000) 2.490 6.122 ( -1.825 -2.340 0.000) 2.968 6.122 ( -1.825 2.340 0.000) 2.968 6.417 ( 11.312 -5.765 0.000) 12.697 6.417 ( 11.312 5.765 0.000) 12.697 6.599 ( 1.179 -2.890 0.000) 3.121 6.599 ( 1.179 2.890 0.000) 3.121 6.722 ( -0.767 -8.980 0.000) 9.012 6.722 ( -0.767 8.980 0.000) 9.012 6.888 ( -4.761 -4.743 0.000) 6.720 6.888 ( -4.761 4.743 0.000) 6.720 6.948 ( -0.295 -1.772 0.000) 1.797 6.948 ( -0.295 1.772 0.000) 1.797 7.111 ( -0.989 -3.556 0.000) 3.691 7.111 ( -0.989 3.556 0.000) 3.691 7.275 ( -3.017 -12.418 0.000) 12.780 7.275 ( -3.017 12.418 0.000) 12.780 7.436 ( 3.572 -6.078 0.000) 7.050 7.436 ( 3.572 6.078 0.000) 7.050 7.465 ( 3.749 -16.627 0.000) 17.045 7.465 ( 3.749 16.627 0.000) 17.045 7.709 ( -1.722 -4.948 0.000) 5.239 7.709 ( -1.722 4.948 0.000) 5.239 7.933 ( -3.608 -3.366 0.000) 4.934 7.933 ( -3.608 3.366 0.000) 4.934 7.958 ( -0.345 -1.239 0.000) 1.286 7.958 ( -0.345 1.239 0.000) 1.286 8.479 ( 4.374 -9.167 0.000) 10.157 8.479 ( 4.374 9.167 0.000) 10.157 8.492 ( 3.054 -4.335 0.000) 5.302 8.492 ( 3.054 4.335 0.000) 5.302 8.678 ( 3.741 -2.958 0.000) 4.770 8.678 ( 3.741 2.958 0.000) 4.770 8.925 ( -4.394 -14.404 0.000) 15.059 8.925 ( -4.394 14.404 0.000) 15.059 9.126 ( -5.218 -3.604 0.000) 6.341 9.126 ( -5.218 3.604 0.000) 6.341 9.325 ( -1.385 -1.144 0.000) 1.796 9.325 ( -1.385 1.144 0.000) 1.796 9.579 ( -3.403 -1.464 0.000) 3.705 9.579 ( -3.403 1.464 0.000) 3.705 9.833 ( -1.733 -0.721 0.000) 1.877 9.833 ( -1.733 0.721 0.000) 1.877 9.933 ( -1.030 -7.457 0.000) 7.528 9.933 ( -1.030 7.457 0.000) 7.528 10.166 ( -0.407 -5.581 0.000) 5.596 10.166 ( -0.407 5.581 0.000) 5.596 11.071 ( 0.600 -9.018 0.000) 9.038 11.071 ( 0.600 9.018 0.000) 9.038 11.366 ( -1.649 -7.528 0.000) 7.707 11.366 ( -1.649 7.528 0.000) 7.707 13.380 ( -0.386 -6.458 0.000) 6.469 13.380 ( -0.386 6.458 0.000) 6.469 13.418 ( -1.195 -2.686 0.000) 2.939 13.418 ( -1.195 2.686 0.000) 2.939 13.621 ( 0.747 -2.503 0.000) 2.612 13.621 ( 0.747 2.503 0.000) 2.612 14.014 ( 1.293 -2.751 0.000) 3.040 14.014 ( 1.293 2.751 0.000) 3.040 14.952 ( 0.679 -1.119 0.000) 1.309 14.952 ( 0.679 1.119 0.000) 1.309 15.738 ( 9.049 -1.672 0.000) 9.202 15.738 ( 9.049 1.672 0.000) 9.202 15.895 ( 1.334 -3.291 0.000) 3.552 15.895 ( 1.334 3.291 0.000) 3.552 15.939 ( -6.896 -3.323 0.000) 7.656 15.939 ( -6.896 3.323 0.000) 7.656 16.676 ( 0.352 -2.443 0.000) 2.468 16.676 ( 0.352 2.443 0.000) 2.468 16.889 ( -1.428 -7.928 0.000) 8.055 16.889 ( -1.428 7.928 0.000) 8.055 17.291 ( -2.231 -0.765 0.000) 2.358 17.291 ( -2.231 0.765 0.000) 2.358 17.544 ( 1.983 -7.151 0.000) 7.421 17.544 ( 1.983 7.151 0.000) 7.421 17.568 ( 0.718 -1.464 0.000) 1.631 17.568 ( 0.718 1.464 0.000) 1.631 17.685 ( -1.968 -0.603 0.000) 2.058 17.685 ( -1.968 0.603 0.000) 2.058 19.136 ( -0.152 -0.183 0.000) 0.237 19.136 ( -0.152 0.183 0.000) 0.237 19.319 ( -0.166 -4.839 0.000) 4.842 19.319 ( -0.166 4.839 0.000) 4.842 20.013 ( -0.079 -0.459 0.000) 0.466 20.013 ( -0.079 0.459 0.000) 0.466 20.071 ( 0.055 -0.571 0.000) 0.573 20.071 ( 0.055 0.571 0.000) 0.573 20.162 ( 0.977 -3.571 0.000) 3.702 20.162 ( 0.977 3.571 0.000) 3.702 20.398 ( -0.452 -0.833 0.000) 0.947 20.398 ( -0.452 0.833 0.000) 0.947 21.383 ( -0.217 -0.125 0.000) 0.250 21.383 ( -0.217 0.125 0.000) 0.250 21.421 ( -0.809 -0.748 0.000) 1.102 21.421 ( -0.809 0.748 0.000) 1.102 21.991 ( -0.058 -0.367 0.000) 0.371 21.991 ( -0.058 0.367 0.000) 0.371 21.996 ( 0.003 -0.349 0.000) 0.349 21.996 ( 0.003 0.349 0.000) 0.349 23.568 ( 0.321 -0.562 0.000) 0.647 23.568 ( 0.321 0.562 0.000) 0.647 23.643 ( -0.485 -0.365 0.000) 0.607 23.643 ( -0.485 0.365 0.000) 0.607 26.268 ( 0.072 -11.160 0.000) 11.161 26.268 ( 0.072 11.160 0.000) 11.161 26.381 ( -0.405 -7.894 0.000) 7.904 26.381 ( -0.405 7.894 0.000) 7.904 27.221 ( 0.188 -0.547 0.000) 0.579 27.221 ( 0.188 0.547 0.000) 0.579 27.309 ( 1.605 -1.525 0.000) 2.213 27.309 ( 1.605 1.525 0.000) 2.213 27.369 ( 0.109 -0.502 0.000) 0.514 27.369 ( 0.109 0.502 0.000) 0.514 27.509 ( -1.112 -1.273 0.000) 1.690 27.509 ( -1.112 1.273 0.000) 1.690 31.211 ( 0.246 -0.489 0.000) 0.547 31.211 ( 0.246 0.489 0.000) 0.547 31.323 ( -0.351 -0.849 0.000) 0.919 31.323 ( -0.351 0.849 0.000) 0.919 31.409 ( 0.530 -8.191 0.000) 8.208 31.409 ( 0.530 8.191 0.000) 8.208 31.723 ( -2.261 -8.971 0.000) 9.251 31.723 ( -2.261 8.971 0.000) 9.251 33.477 ( 1.628 -0.591 0.000) 1.732 33.477 ( 1.628 0.591 0.000) 1.732 33.691 ( 0.405 -1.211 0.000) 1.277 33.691 ( 0.405 1.211 0.000) 1.277 33.870 ( 1.799 -2.098 0.000) 2.764 33.870 ( 1.799 2.098 0.000) 2.764 34.004 ( -0.064 -0.706 0.000) 0.708 34.004 ( -0.064 0.706 0.000) 0.708 34.113 ( -1.244 -0.616 0.000) 1.388 34.113 ( -1.244 0.616 0.000) 1.388 34.289 ( -0.121 -0.874 0.000) 0.882 34.289 ( -0.121 0.874 0.000) 0.882 35.188 ( 0.562 -4.134 0.000) 4.172 35.188 ( 0.562 4.134 0.000) 4.172 36.173 ( 6.540 -25.726 0.000) 26.544 36.173 ( 6.540 25.726 0.000) 26.544 36.308 ( 0.003 -1.210 0.000) 1.210 36.308 ( 0.003 1.210 0.000) 1.210 36.478 ( 0.190 -0.973 0.000) 0.991 36.478 ( 0.190 0.973 0.000) 0.991 38.135 ( -1.765 -3.486 0.000) 3.907 38.135 ( -1.765 3.486 0.000) 3.907 38.531 ( 1.501 -2.648 0.000) 3.044 38.531 ( 1.501 2.648 0.000) 3.044 ======================= Grid point 25 (10/36) ======================= q-point: ( 0.00 0.00 0.14) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 0.000 0.000 30.128) 30.128 0.583 ( 0.000 0.000 31.120) 31.120 1.137 ( 0.000 0.000 58.255) 58.255 1.858 ( 0.000 0.000 10.983) 10.983 1.923 ( 0.000 0.000 -0.015) 0.015 2.062 ( 0.000 0.000 1.446) 1.446 2.082 ( 0.000 0.000 7.083) 7.083 2.088 ( 0.000 0.000 6.650) 6.650 2.210 ( 0.000 0.000 6.151) 6.151 2.429 ( 0.000 0.000 2.734) 2.734 2.437 ( 0.000 0.000 7.894) 7.894 2.441 ( 0.000 0.000 6.476) 6.476 2.581 ( 0.000 0.000 0.351) 0.351 2.657 ( 0.000 0.000 4.654) 4.654 2.726 ( 0.000 0.000 0.925) 0.925 2.838 ( 0.000 0.000 -2.730) 2.730 2.885 ( 0.000 0.000 -1.734) 1.734 2.887 ( 0.000 0.000 -2.448) 2.448 2.941 ( 0.000 0.000 -0.173) 0.173 2.960 ( 0.000 0.000 -2.932) 2.932 3.040 ( 0.000 0.000 3.699) 3.699 3.165 ( 0.000 0.000 -0.659) 0.659 3.220 ( 0.000 0.000 -1.679) 1.679 3.261 ( 0.000 0.000 2.307) 2.307 3.341 ( 0.000 0.000 0.782) 0.782 3.377 ( 0.000 0.000 0.105) 0.105 3.404 ( 0.000 0.000 -1.631) 1.631 3.438 ( 0.000 0.000 2.860) 2.860 3.489 ( 0.000 0.000 0.063) 0.063 3.492 ( 0.000 0.000 3.744) 3.744 3.516 ( 0.000 0.000 -0.687) 0.687 3.545 ( 0.000 0.000 1.077) 1.077 3.642 ( 0.000 0.000 2.202) 2.202 3.653 ( 0.000 0.000 1.201) 1.201 3.677 ( 0.000 0.000 -1.221) 1.221 3.749 ( 0.000 0.000 -2.063) 2.063 3.779 ( 0.000 0.000 -1.775) 1.775 3.785 ( 0.000 0.000 3.986) 3.986 3.787 ( 0.000 0.000 -5.708) 5.708 3.934 ( 0.000 0.000 2.824) 2.824 3.951 ( 0.000 0.000 2.361) 2.361 3.992 ( 0.000 0.000 0.519) 0.519 4.035 ( 0.000 0.000 -4.506) 4.506 4.263 ( 0.000 0.000 -3.546) 3.546 4.297 ( 0.000 0.000 3.278) 3.278 4.317 ( 0.000 0.000 2.768) 2.768 4.320 ( 0.000 0.000 -0.172) 0.172 4.537 ( 0.000 0.000 2.580) 2.580 4.591 ( 0.000 0.000 6.636) 6.636 4.616 ( 0.000 0.000 0.378) 0.378 4.669 ( 0.000 0.000 6.273) 6.273 4.681 ( 0.000 0.000 -3.292) 3.292 4.682 ( 0.000 0.000 -4.517) 4.517 4.853 ( 0.000 0.000 0.542) 0.542 4.858 ( 0.000 0.000 9.563) 9.563 4.938 ( 0.000 0.000 15.342) 15.342 4.997 ( 0.000 0.000 -1.988) 1.988 5.198 ( 0.000 0.000 -2.217) 2.217 5.220 ( 0.000 0.000 0.755) 0.755 5.276 ( 0.000 0.000 -1.268) 1.268 5.289 ( 0.000 0.000 -6.474) 6.474 5.397 ( 0.000 0.000 3.569) 3.569 5.404 ( 0.000 0.000 -4.769) 4.769 5.513 ( 0.000 0.000 4.776) 4.776 5.669 ( 0.000 0.000 7.231) 7.231 5.695 ( 0.000 0.000 11.013) 11.013 5.734 ( 0.000 0.000 1.662) 1.662 5.968 ( 0.000 0.000 -4.621) 4.621 6.007 ( 0.000 0.000 1.158) 1.158 6.082 ( 0.000 0.000 0.111) 0.111 6.129 ( 0.000 0.000 4.741) 4.741 6.150 ( 0.000 0.000 1.034) 1.034 6.277 ( 0.000 0.000 -2.187) 2.187 6.419 ( 0.000 0.000 -2.212) 2.212 6.476 ( 0.000 0.000 2.547) 2.547 6.685 ( 0.000 0.000 -4.821) 4.821 6.840 ( 0.000 0.000 -0.831) 0.831 6.871 ( 0.000 0.000 4.347) 4.347 6.939 ( 0.000 0.000 -8.256) 8.256 6.948 ( 0.000 0.000 -3.659) 3.659 7.029 ( 0.000 0.000 -1.986) 1.986 7.081 ( 0.000 0.000 1.187) 1.187 7.134 ( 0.000 0.000 -2.621) 2.621 7.183 ( 0.000 0.000 1.542) 1.542 7.235 ( 0.000 0.000 5.594) 5.594 7.272 ( 0.000 0.000 4.685) 4.685 7.326 ( 0.000 0.000 -1.344) 1.344 7.419 ( 0.000 0.000 2.417) 2.417 7.434 ( 0.000 0.000 -2.723) 2.723 7.565 ( 0.000 0.000 -0.649) 0.649 7.615 ( 0.000 0.000 -1.758) 1.758 7.694 ( 0.000 0.000 -1.524) 1.524 7.714 ( 0.000 0.000 -7.387) 7.387 7.831 ( 0.000 0.000 -6.092) 6.092 7.952 ( 0.000 0.000 0.580) 0.580 8.087 ( 0.000 0.000 4.572) 4.572 8.221 ( 0.000 0.000 -2.918) 2.918 8.229 ( 0.000 0.000 -7.196) 7.196 8.356 ( 0.000 0.000 1.274) 1.274 8.399 ( 0.000 0.000 -3.867) 3.867 8.578 ( 0.000 0.000 -1.703) 1.703 8.906 ( 0.000 0.000 8.249) 8.249 8.912 ( 0.000 0.000 -3.067) 3.067 9.069 ( 0.000 0.000 -5.855) 5.855 9.142 ( 0.000 0.000 -17.514) 17.514 9.266 ( 0.000 0.000 -1.354) 1.354 9.357 ( 0.000 0.000 7.748) 7.748 9.394 ( 0.000 0.000 -3.974) 3.974 9.511 ( 0.000 0.000 6.217) 6.217 9.660 ( 0.000 0.000 -3.917) 3.917 9.852 ( 0.000 0.000 2.079) 2.079 9.858 ( 0.000 0.000 -4.005) 4.005 9.939 ( 0.000 0.000 2.923) 2.923 10.088 ( 0.000 0.000 1.005) 1.005 10.333 ( 0.000 0.000 13.612) 13.612 10.708 ( 0.000 0.000 4.549) 4.549 10.739 ( 0.000 0.000 -13.226) 13.226 11.019 ( 0.000 0.000 -10.366) 10.366 11.079 ( 0.000 0.000 2.244) 2.244 11.278 ( 0.000 0.000 -2.213) 2.213 13.295 ( 0.000 0.000 -4.212) 4.212 13.340 ( 0.000 0.000 -7.378) 7.378 13.388 ( 0.000 0.000 -4.554) 4.554 13.547 ( 0.000 0.000 -6.749) 6.749 13.597 ( 0.000 0.000 8.934) 8.934 13.706 ( 0.000 0.000 11.822) 11.822 14.051 ( 0.000 0.000 4.502) 4.502 14.218 ( 0.000 0.000 -1.617) 1.617 15.019 ( 0.000 0.000 7.453) 7.453 15.022 ( 0.000 0.000 11.134) 11.134 15.487 ( 0.000 0.000 3.601) 3.601 15.556 ( 0.000 0.000 1.273) 1.273 15.779 ( 0.000 0.000 -2.208) 2.208 15.815 ( 0.000 0.000 -4.800) 4.800 15.963 ( 0.000 0.000 -0.457) 0.457 16.112 ( 0.000 0.000 -5.725) 5.725 16.621 ( 0.000 0.000 1.998) 1.998 16.727 ( 0.000 0.000 3.414) 3.414 16.746 ( 0.000 0.000 3.197) 3.197 17.091 ( 0.000 0.000 -1.585) 1.585 17.144 ( 0.000 0.000 -1.027) 1.027 17.428 ( 0.000 0.000 -3.384) 3.384 17.443 ( 0.000 0.000 -4.836) 4.836 17.547 ( 0.000 0.000 3.954) 3.954 17.556 ( 0.000 0.000 -3.478) 3.478 17.729 ( 0.000 0.000 5.979) 5.979 17.784 ( 0.000 0.000 7.336) 7.336 17.816 ( 0.000 0.000 0.884) 0.884 19.150 ( 0.000 0.000 -0.218) 0.218 19.150 ( 0.000 0.000 0.548) 0.548 19.173 ( 0.000 0.000 -0.366) 0.366 19.343 ( 0.000 0.000 -1.667) 1.667 20.009 ( 0.000 0.000 0.196) 0.196 20.041 ( 0.000 0.000 0.562) 0.562 20.053 ( 0.000 0.000 0.382) 0.382 20.066 ( 0.000 0.000 0.223) 0.223 20.085 ( 0.000 0.000 0.649) 0.649 20.177 ( 0.000 0.000 0.962) 0.962 20.275 ( 0.000 0.000 -2.555) 2.555 20.467 ( 0.000 0.000 -1.511) 1.511 21.303 ( 0.000 0.000 -0.848) 0.848 21.409 ( 0.000 0.000 -2.150) 2.150 21.411 ( 0.000 0.000 -2.259) 2.259 21.422 ( 0.000 0.000 -2.297) 2.297 21.989 ( 0.000 0.000 0.388) 0.388 22.009 ( 0.000 0.000 0.176) 0.176 22.010 ( 0.000 0.000 0.200) 0.200 22.027 ( 0.000 0.000 -0.055) 0.055 23.539 ( 0.000 0.000 -0.375) 0.375 23.572 ( 0.000 0.000 -0.509) 0.509 23.606 ( 0.000 0.000 -1.152) 1.152 23.625 ( 0.000 0.000 -1.571) 1.571 26.094 ( 0.000 0.000 0.736) 0.736 26.224 ( 0.000 0.000 -1.102) 1.102 26.454 ( 0.000 0.000 0.236) 0.236 26.562 ( 0.000 0.000 -1.146) 1.146 27.167 ( 0.000 0.000 -1.891) 1.891 27.234 ( 0.000 0.000 2.346) 2.346 27.236 ( 0.000 0.000 -1.834) 1.834 27.283 ( 0.000 0.000 1.978) 1.978 27.331 ( 0.000 0.000 1.481) 1.481 27.405 ( 0.000 0.000 0.990) 0.990 27.499 ( 0.000 0.000 -4.371) 4.371 27.506 ( 0.000 0.000 -5.158) 5.158 31.168 ( 0.000 0.000 1.138) 1.138 31.253 ( 0.000 0.000 -0.124) 0.124 31.283 ( 0.000 0.000 -0.091) 0.091 31.370 ( 0.000 0.000 -0.483) 0.483 31.391 ( 0.000 0.000 0.251) 0.251 31.461 ( 0.000 0.000 0.087) 0.087 31.622 ( 0.000 0.000 3.117) 3.117 32.008 ( 0.000 0.000 -2.148) 2.148 33.339 ( 0.000 0.000 -0.795) 0.795 33.396 ( 0.000 0.000 -0.201) 0.201 33.403 ( 0.000 0.000 -0.363) 0.363 33.453 ( 0.000 0.000 -4.082) 4.082 33.778 ( 0.000 0.000 1.609) 1.609 33.838 ( 0.000 0.000 1.378) 1.378 34.045 ( 0.000 0.000 3.958) 3.958 34.130 ( 0.000 0.000 -1.641) 1.641 34.155 ( 0.000 0.000 -1.690) 1.690 34.335 ( 0.000 0.000 2.651) 2.651 34.340 ( 0.000 0.000 3.990) 3.990 34.842 ( 0.000 0.000 -4.627) 4.627 35.117 ( 0.000 0.000 3.125) 3.125 35.270 ( 0.000 0.000 2.946) 2.946 35.484 ( 0.000 0.000 -0.606) 0.606 35.734 ( 0.000 0.000 -2.847) 2.847 36.433 ( 0.000 0.000 9.902) 9.902 36.534 ( 0.000 0.000 9.311) 9.311 36.576 ( 0.000 0.000 9.012) 9.012 36.972 ( 0.000 0.000 5.892) 5.892 38.042 ( 0.000 0.000 -3.549) 3.549 38.284 ( 0.000 0.000 -6.895) 6.895 38.287 ( 0.000 0.000 -6.571) 6.571 38.289 ( 0.000 0.000 -8.065) 8.065 ======================= Grid point 26 (11/36) ======================= q-point: ( 0.20 0.00 0.14) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 25.649 0.000 17.676) 31.150 0.923 ( 23.489 0.000 21.583) 31.899 1.583 ( 34.890 0.000 30.656) 46.445 1.902 ( 2.773 0.000 7.725) 8.207 1.918 ( -1.404 0.000 1.164) 1.824 2.032 ( -1.429 0.000 2.876) 3.211 2.075 ( 0.591 0.000 6.769) 6.794 2.135 ( 4.925 0.000 10.302) 11.418 2.208 ( -1.435 0.000 5.013) 5.214 2.308 ( -9.692 0.000 5.667) 11.227 2.390 ( -5.456 0.000 6.550) 8.525 2.452 ( 1.361 0.000 7.598) 7.719 2.568 ( -1.809 0.000 2.392) 2.999 2.582 ( -5.677 0.000 2.228) 6.098 2.661 ( -8.854 0.000 4.172) 9.788 2.720 ( -0.622 0.000 -0.167) 0.644 2.807 ( -1.713 0.000 -3.944) 4.300 2.856 ( 0.340 0.000 -0.817) 0.885 2.947 ( -0.717 0.000 -1.089) 1.304 3.057 ( 1.875 0.000 1.719) 2.544 3.134 ( 3.079 0.000 0.202) 3.086 3.155 ( -3.326 0.000 -2.067) 3.916 3.213 ( -13.103 0.000 0.305) 13.106 3.280 ( -6.263 0.000 0.102) 6.264 3.281 ( 7.571 0.000 -2.418) 7.947 3.292 ( -2.786 0.000 -0.485) 2.828 3.323 ( -4.315 0.000 1.728) 4.648 3.360 ( -4.618 0.000 -0.949) 4.714 3.378 ( -1.167 0.000 1.575) 1.960 3.460 ( -1.788 0.000 2.408) 2.999 3.577 ( 4.719 0.000 1.698) 5.016 3.622 ( 1.187 0.000 -0.918) 1.501 3.628 ( 6.610 0.000 -0.765) 6.654 3.629 ( -3.217 0.000 -2.560) 4.111 3.752 ( -1.426 0.000 -1.831) 2.320 3.779 ( 0.846 0.000 -1.787) 1.977 3.832 ( 2.638 0.000 -3.980) 4.774 3.833 ( 4.119 0.000 -0.349) 4.134 3.842 ( 4.505 0.000 0.768) 4.570 3.928 ( -0.392 0.000 1.927) 1.967 3.929 ( 3.946 0.000 3.190) 5.074 3.975 ( 1.956 0.000 5.127) 5.487 4.163 ( 3.838 0.000 -3.441) 5.154 4.243 ( -1.782 0.000 -1.441) 2.292 4.312 ( -2.995 0.000 -1.398) 3.306 4.314 ( -0.263 0.000 2.502) 2.515 4.354 ( -0.853 0.000 -1.974) 2.151 4.484 ( -7.245 0.000 2.752) 7.750 4.543 ( 0.600 0.000 3.252) 3.306 4.618 ( -3.098 0.000 4.949) 5.839 4.628 ( -1.475 0.000 8.057) 8.191 4.665 ( 1.596 0.000 -2.846) 3.263 4.699 ( 1.575 0.000 -3.993) 4.292 4.838 ( 0.258 0.000 3.619) 3.628 4.942 ( -0.442 0.000 12.079) 12.087 4.959 ( 4.160 0.000 -3.163) 5.226 5.102 ( 4.397 0.000 -0.456) 4.420 5.180 ( -1.177 0.000 -1.941) 2.271 5.181 ( -0.447 0.000 -1.230) 1.309 5.271 ( -0.597 0.000 -2.241) 2.319 5.273 ( 1.481 0.000 3.680) 3.967 5.360 ( -3.299 0.000 1.684) 3.704 5.398 ( -0.304 0.000 -0.084) 0.315 5.489 ( -1.469 0.000 3.077) 3.409 5.696 ( 1.833 0.000 7.625) 7.842 5.702 ( 0.743 0.000 10.054) 10.082 5.790 ( 4.456 0.000 2.420) 5.070 5.984 ( -1.004 0.000 -0.255) 1.036 6.044 ( 5.086 0.000 -2.033) 5.478 6.072 ( -1.163 0.000 0.642) 1.328 6.148 ( 1.882 0.000 3.417) 3.901 6.198 ( 5.472 0.000 4.721) 7.227 6.310 ( -3.017 0.000 4.953) 5.799 6.421 ( -4.239 0.000 13.087) 13.756 6.538 ( 10.402 0.000 -3.944) 11.125 6.697 ( -11.199 0.000 12.694) 16.927 6.701 ( 0.715 0.000 -4.564) 4.619 6.849 ( -2.860 0.000 0.804) 2.971 6.856 ( -0.828 0.000 -2.872) 2.989 6.882 ( -4.577 0.000 -6.680) 8.098 6.892 ( -2.722 0.000 1.388) 3.056 7.021 ( -3.561 0.000 -0.902) 3.673 7.053 ( -3.055 0.000 0.129) 3.058 7.190 ( 1.466 0.000 6.785) 6.941 7.193 ( -1.629 0.000 -0.235) 1.646 7.226 ( 2.381 0.000 2.334) 3.334 7.236 ( 0.314 0.000 1.551) 1.582 7.388 ( -2.570 0.000 -2.745) 3.760 7.530 ( 9.347 0.000 -1.228) 9.427 7.571 ( 8.519 0.000 -4.069) 9.441 7.601 ( 1.206 0.000 -0.611) 1.352 7.747 ( -5.278 0.000 -3.570) 6.372 7.846 ( 6.213 0.000 -6.493) 8.987 7.863 ( -1.543 0.000 -1.573) 2.203 8.080 ( 0.101 0.000 -1.049) 1.054 8.121 ( 3.440 0.000 -5.921) 6.848 8.234 ( 1.126 0.000 -4.266) 4.412 8.272 ( 1.234 0.000 -2.933) 3.182 8.356 ( -0.623 0.000 -2.208) 2.295 8.432 ( 5.606 0.000 -1.280) 5.750 8.607 ( 2.774 0.000 1.558) 3.181 8.718 ( -11.277 0.000 5.212) 12.423 8.830 ( -5.183 0.000 -0.781) 5.242 9.059 ( -7.869 0.000 -3.731) 8.708 9.184 ( 2.317 0.000 -3.472) 4.174 9.243 ( -1.230 0.000 -9.695) 9.772 9.300 ( -2.807 0.000 -2.690) 3.888 9.421 ( -4.124 0.000 4.550) 6.141 9.540 ( 8.788 0.000 7.408) 11.494 9.631 ( -1.144 0.000 -4.542) 4.684 9.743 ( -8.829 0.000 1.064) 8.893 9.912 ( 3.792 0.000 -3.172) 4.944 9.932 ( -3.344 0.000 4.443) 5.560 9.976 ( -0.029 0.000 6.462) 6.462 10.232 ( -7.291 0.000 6.872) 10.019 10.539 ( -10.671 0.000 6.078) 12.280 10.768 ( -2.310 0.000 -14.471) 14.655 11.103 ( -0.185 0.000 -3.211) 3.217 11.126 ( 5.809 0.000 -8.026) 9.908 11.448 ( 6.400 0.000 -13.869) 15.274 13.255 ( -2.159 0.000 -2.972) 3.674 13.410 ( 3.146 0.000 -8.870) 9.411 13.450 ( 4.077 0.000 -4.411) 6.007 13.555 ( -0.397 0.000 -3.658) 3.680 13.590 ( -0.584 0.000 8.354) 8.374 13.650 ( -3.169 0.000 6.796) 7.499 14.049 ( -7.393 0.000 5.283) 9.086 14.056 ( 0.459 0.000 2.422) 2.465 15.035 ( 1.261 0.000 7.501) 7.606 15.052 ( 2.631 0.000 13.451) 13.706 15.560 ( 7.706 0.000 1.066) 7.779 15.589 ( 3.293 0.000 0.496) 3.331 15.807 ( 0.649 0.000 -0.541) 0.845 15.858 ( 2.797 0.000 -4.186) 5.034 15.961 ( -0.068 0.000 1.033) 1.035 16.120 ( -2.390 0.000 -6.067) 6.520 16.627 ( 0.552 0.000 2.725) 2.781 16.711 ( -1.160 0.000 2.649) 2.892 16.741 ( -0.536 0.000 2.209) 2.274 17.126 ( -1.646 0.000 -0.865) 1.860 17.127 ( 3.249 0.000 -2.570) 4.143 17.378 ( -4.669 0.000 -6.243) 7.796 17.398 ( -2.393 0.000 -4.510) 5.106 17.559 ( 0.275 0.000 -2.763) 2.777 17.588 ( 2.303 0.000 5.011) 5.515 17.712 ( -1.478 0.000 5.903) 6.085 17.781 ( -0.239 0.000 7.702) 7.706 17.789 ( -2.406 0.000 1.865) 3.044 19.148 ( -0.161 0.000 -0.199) 0.256 19.150 ( 0.025 0.000 0.610) 0.611 19.179 ( 0.537 0.000 -0.425) 0.685 19.403 ( 2.455 0.000 -4.369) 5.011 20.013 ( 0.070 0.000 0.858) 0.861 20.050 ( -0.739 0.000 0.987) 1.233 20.050 ( 0.178 0.000 0.040) 0.182 20.087 ( 0.108 0.000 0.567) 0.577 20.094 ( 4.764 0.000 0.097) 4.765 20.117 ( -3.592 0.000 0.059) 3.592 20.338 ( 3.560 0.000 -1.630) 3.916 20.442 ( -2.505 0.000 -1.483) 2.911 21.324 ( 1.805 0.000 -1.180) 2.156 21.378 ( -2.266 0.000 -2.016) 3.033 21.415 ( -0.829 0.000 -2.012) 2.176 21.423 ( 0.155 0.000 -3.353) 3.356 21.987 ( -0.091 0.000 0.372) 0.383 22.001 ( -0.945 0.000 1.032) 1.399 22.008 ( -0.104 0.000 0.187) 0.214 22.009 ( -0.183 0.000 0.315) 0.364 23.551 ( 1.025 0.000 -0.490) 1.136 23.575 ( 0.234 0.000 -0.598) 0.642 23.610 ( 0.353 0.000 -1.090) 1.146 23.620 ( -0.538 0.000 -1.507) 1.601 26.049 ( -3.387 0.000 0.683) 3.455 26.198 ( -2.035 0.000 -1.980) 2.839 26.501 ( 3.464 0.000 0.101) 3.465 26.567 ( 0.536 0.000 -1.122) 1.243 27.187 ( 1.807 0.000 -2.630) 3.191 27.203 ( 0.261 0.000 0.732) 0.777 27.270 ( -0.198 0.000 1.564) 1.576 27.320 ( 1.797 0.000 -1.580) 2.392 27.346 ( 1.376 0.000 1.510) 2.043 27.404 ( -0.115 0.000 0.891) 0.898 27.481 ( -1.700 0.000 -3.938) 4.289 27.496 ( -0.377 0.000 -5.301) 5.315 31.178 ( 0.784 0.000 0.908) 1.200 31.245 ( -1.052 0.000 0.325) 1.102 31.284 ( -4.703 0.000 6.288) 7.852 31.288 ( 0.511 0.000 -0.120) 0.525 31.365 ( -0.835 0.000 0.273) 0.879 31.401 ( 1.145 0.000 -0.754) 1.371 31.670 ( 0.282 0.000 2.398) 2.415 31.971 ( -3.091 0.000 -1.720) 3.537 33.414 ( 1.678 0.000 -0.650) 1.800 33.472 ( 1.545 0.000 -2.466) 2.910 33.488 ( 7.275 0.000 -1.123) 7.362 33.573 ( 11.307 0.000 -10.598) 15.497 33.766 ( -1.021 0.000 1.493) 1.809 33.816 ( -1.953 0.000 0.940) 2.168 34.041 ( -0.385 0.000 3.798) 3.818 34.097 ( -2.408 0.000 0.149) 2.413 34.148 ( -1.224 0.000 -2.385) 2.681 34.311 ( -1.202 0.000 2.695) 2.950 34.351 ( 0.097 0.000 3.340) 3.342 34.458 ( -14.214 0.000 12.672) 19.043 35.125 ( 0.719 0.000 3.886) 3.952 35.265 ( 1.545 0.000 0.511) 1.627 35.524 ( 3.276 0.000 -1.340) 3.540 36.116 ( 10.407 0.000 -14.064) 17.496 36.437 ( 0.338 0.000 9.986) 9.992 36.534 ( 0.035 0.000 9.103) 9.103 36.582 ( 0.517 0.000 9.225) 9.240 37.056 ( 2.748 0.000 -0.202) 2.756 38.035 ( -0.623 0.000 -3.316) 3.374 38.271 ( 0.423 0.000 -9.765) 9.774 38.284 ( -0.007 0.000 -7.056) 7.056 38.422 ( 5.683 0.000 -12.094) 13.362 ======================= Grid point 27 (12/36) ======================= q-point: ( 0.40 0.00 0.14) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 22.303 0.000 17.159) 28.140 1.449 ( 25.337 0.000 8.694) 26.787 1.785 ( -12.733 0.000 9.569) 15.928 1.871 ( -10.439 0.000 1.383) 10.530 2.001 ( -8.150 0.000 3.672) 8.939 2.029 ( 6.581 0.000 -0.356) 6.590 2.055 ( 0.915 0.000 9.385) 9.429 2.100 ( -0.076 0.000 2.749) 2.750 2.212 ( -4.831 0.000 3.918) 6.220 2.242 ( -0.276 0.000 5.031) 5.039 2.395 ( 1.486 0.000 10.994) 11.094 2.499 ( 3.054 0.000 6.439) 7.126 2.522 ( -1.484 0.000 5.100) 5.312 2.562 ( -2.919 0.000 5.962) 6.638 2.681 ( 28.394 0.000 7.685) 29.415 2.692 ( -1.665 0.000 -2.076) 2.661 2.807 ( 1.189 0.000 -3.044) 3.268 2.895 ( 2.885 0.000 -1.635) 3.316 2.941 ( -5.392 0.000 2.043) 5.766 2.950 ( -2.532 0.000 0.470) 2.576 3.025 ( -4.022 0.000 2.655) 4.819 3.098 ( -5.376 0.000 1.014) 5.471 3.114 ( -1.964 0.000 -2.924) 3.522 3.132 ( -0.874 0.000 -2.229) 2.394 3.256 ( -2.847 0.000 -2.515) 3.799 3.264 ( -2.793 0.000 1.037) 2.979 3.323 ( -0.173 0.000 -0.924) 0.940 3.337 ( -0.319 0.000 2.430) 2.451 3.394 ( -5.771 0.000 -1.382) 5.934 3.456 ( 0.184 0.000 2.962) 2.967 3.571 ( -0.639 0.000 -4.176) 4.224 3.653 ( 2.002 0.000 -2.780) 3.426 3.658 ( 2.369 0.000 2.222) 3.248 3.717 ( 1.166 0.000 -1.994) 2.310 3.737 ( 0.545 0.000 1.632) 1.720 3.767 ( -0.094 0.000 -0.953) 0.957 3.842 ( -3.357 0.000 -1.405) 3.639 3.892 ( 4.199 0.000 -2.333) 4.804 3.911 ( -1.413 0.000 -2.732) 3.076 3.988 ( 5.769 0.000 -2.440) 6.264 4.003 ( 0.243 0.000 7.327) 7.331 4.015 ( 3.510 0.000 2.652) 4.399 4.132 ( -5.453 0.000 -5.174) 7.518 4.168 ( -4.390 0.000 5.062) 6.700 4.223 ( -0.830 0.000 7.271) 7.318 4.264 ( -5.729 0.000 -2.887) 6.415 4.312 ( 0.172 0.000 1.100) 1.114 4.374 ( -2.644 0.000 3.299) 4.228 4.564 ( 1.133 0.000 2.638) 2.871 4.576 ( 0.311 0.000 7.018) 7.025 4.604 ( -1.281 0.000 7.569) 7.677 4.730 ( 1.199 0.000 -5.079) 5.219 4.763 ( 6.293 0.000 -2.611) 6.813 4.849 ( -0.109 0.000 0.043) 0.117 4.921 ( -5.673 0.000 -4.539) 7.265 4.923 ( -0.246 0.000 9.169) 9.172 5.134 ( 1.843 0.000 -2.909) 3.444 5.170 ( -1.008 0.000 -1.475) 1.787 5.181 ( -0.836 0.000 -1.785) 1.972 5.271 ( -3.058 0.000 1.120) 3.257 5.278 ( 0.626 0.000 -2.255) 2.340 5.410 ( 6.722 0.000 10.745) 12.675 5.416 ( 1.891 0.000 0.965) 2.123 5.459 ( -1.464 0.000 3.667) 3.949 5.716 ( -0.267 0.000 9.645) 9.649 5.718 ( 0.620 0.000 13.289) 13.304 5.879 ( 3.217 0.000 -0.479) 3.252 5.952 ( -1.673 0.000 1.738) 2.412 6.031 ( -2.498 0.000 2.357) 3.435 6.114 ( 1.156 0.000 2.018) 2.326 6.124 ( -5.459 0.000 16.328) 17.216 6.231 ( 4.121 0.000 5.186) 6.624 6.380 ( 11.521 0.000 3.005) 11.907 6.487 ( 4.535 0.000 5.447) 7.088 6.669 ( -10.925 0.000 -2.839) 11.287 6.711 ( 2.691 0.000 -1.942) 3.319 6.727 ( 2.612 0.000 -1.835) 3.192 6.759 ( 7.588 0.000 -5.703) 9.492 6.769 ( -5.201 0.000 -3.084) 6.047 6.835 ( -0.725 0.000 0.453) 0.855 6.880 ( -1.206 0.000 -1.826) 2.188 6.950 ( -2.329 0.000 -2.820) 3.657 6.978 ( -2.782 0.000 2.368) 3.654 7.185 ( -0.493 0.000 -1.529) 1.607 7.248 ( -0.131 0.000 1.353) 1.359 7.251 ( 3.746 0.000 8.233) 9.045 7.285 ( 4.098 0.000 1.473) 4.355 7.350 ( -1.781 0.000 -0.363) 1.817 7.623 ( 0.608 0.000 -2.595) 2.665 7.624 ( 0.124 0.000 -3.713) 3.715 7.670 ( -0.823 0.000 -7.246) 7.293 7.790 ( 10.465 0.000 -1.800) 10.619 7.845 ( -4.992 0.000 -4.560) 6.762 7.881 ( 2.267 0.000 -1.807) 2.899 8.051 ( -8.514 0.000 -1.493) 8.644 8.128 ( 2.601 0.000 -11.641) 11.928 8.266 ( 2.926 0.000 -2.064) 3.581 8.278 ( 2.393 0.000 -0.234) 2.404 8.389 ( 0.944 0.000 4.774) 4.866 8.395 ( -6.783 0.000 -6.184) 9.179 8.660 ( 5.830 0.000 3.734) 6.923 8.726 ( 3.520 0.000 8.553) 9.249 8.751 ( -1.687 0.000 3.423) 3.816 8.891 ( -6.174 0.000 -5.675) 8.386 9.078 ( -3.547 0.000 -5.201) 6.296 9.262 ( -8.737 0.000 1.612) 8.885 9.263 ( 3.543 0.000 -8.537) 9.243 9.338 ( -3.182 0.000 -4.236) 5.298 9.569 ( -3.181 0.000 -2.965) 4.348 9.659 ( 1.730 0.000 1.934) 2.595 9.680 ( 3.749 0.000 11.855) 12.434 9.885 ( -5.245 0.000 0.502) 5.269 9.915 ( 0.144 0.000 -0.519) 0.538 9.975 ( 1.713 0.000 -0.265) 1.733 10.185 ( 1.980 0.000 6.278) 6.582 10.349 ( -7.032 0.000 6.433) 9.530 10.704 ( -2.382 0.000 -10.526) 10.792 11.096 ( -0.157 0.000 -7.666) 7.667 11.202 ( 1.679 0.000 -7.723) 7.904 11.495 ( 0.093 0.000 -12.206) 12.207 13.226 ( -0.660 0.000 -1.311) 1.468 13.446 ( 0.905 0.000 1.919) 2.122 13.503 ( -2.658 0.000 -1.916) 3.277 13.515 ( 1.791 0.000 -3.771) 4.175 13.578 ( -0.357 0.000 7.679) 7.688 13.636 ( 0.365 0.000 -3.849) 3.866 13.970 ( -1.328 0.000 1.511) 2.012 14.067 ( 0.422 0.000 -1.075) 1.155 15.057 ( 0.637 0.000 7.468) 7.495 15.101 ( 1.535 0.000 16.477) 16.548 15.682 ( 4.847 0.000 -1.226) 4.999 15.753 ( 7.695 0.000 -3.397) 8.412 15.825 ( 3.425 0.000 0.577) 3.473 15.846 ( -3.431 0.000 -0.064) 3.432 15.991 ( 2.054 0.000 1.104) 2.332 16.000 ( -8.671 0.000 -3.235) 9.254 16.637 ( 0.292 0.000 3.938) 3.949 16.692 ( -0.552 0.000 0.705) 0.895 16.729 ( -0.417 0.000 0.723) 0.835 17.095 ( -0.953 0.000 0.377) 1.024 17.196 ( 2.444 0.000 -4.005) 4.692 17.293 ( -2.633 0.000 -8.405) 8.807 17.354 ( -1.359 0.000 -5.735) 5.894 17.566 ( 0.285 0.000 -1.884) 1.906 17.623 ( 0.965 0.000 6.525) 6.596 17.682 ( -0.980 0.000 6.065) 6.143 17.737 ( -1.932 0.000 3.696) 4.170 17.776 ( -0.210 0.000 8.493) 8.496 19.144 ( -0.106 0.000 -0.154) 0.187 19.151 ( 0.023 0.000 0.698) 0.698 19.189 ( 0.322 0.000 -0.519) 0.611 19.429 ( 0.420 0.000 -3.283) 3.309 20.013 ( -0.049 0.000 0.963) 0.965 20.040 ( -0.237 0.000 0.896) 0.927 20.053 ( 0.055 0.000 0.217) 0.224 20.064 ( -1.359 0.000 -0.147) 1.367 20.089 ( 0.049 0.000 0.424) 0.427 20.220 ( 6.557 0.000 -0.380) 6.568 20.362 ( -5.040 0.000 -1.478) 5.252 20.389 ( 1.271 0.000 -1.040) 1.642 21.337 ( -1.239 0.000 -1.701) 2.105 21.361 ( 1.263 0.000 -1.546) 1.996 21.397 ( -0.663 0.000 -1.654) 1.782 21.417 ( -0.410 0.000 -3.114) 3.141 21.986 ( -0.048 0.000 0.349) 0.352 21.992 ( -0.129 0.000 0.602) 0.616 22.006 ( -0.070 0.000 0.205) 0.216 22.006 ( -0.094 0.000 0.265) 0.281 23.576 ( 1.191 0.000 -0.800) 1.435 23.579 ( 0.138 0.000 -0.725) 0.738 23.604 ( -0.904 0.000 -1.042) 1.380 23.617 ( 0.215 0.000 -1.001) 1.023 25.992 ( -1.628 0.000 0.581) 1.729 26.162 ( -1.059 0.000 -2.796) 2.989 26.559 ( 1.655 0.000 -0.106) 1.659 26.576 ( 0.193 0.000 -0.886) 0.907 27.222 ( 1.316 0.000 0.981) 1.641 27.226 ( 1.440 0.000 -4.011) 4.262 27.254 ( -1.246 0.000 1.586) 2.017 27.342 ( 0.555 0.000 -1.819) 1.902 27.379 ( 1.408 0.000 1.390) 1.978 27.402 ( 0.233 0.000 0.852) 0.883 27.437 ( -2.224 0.000 -2.988) 3.725 27.493 ( -0.035 0.000 -5.134) 5.134 31.192 ( 0.455 0.000 0.460) 0.647 31.220 ( -0.631 0.000 0.720) 0.958 31.257 ( -0.106 0.000 3.183) 3.185 31.304 ( 0.938 0.000 0.248) 0.970 31.340 ( -1.235 0.000 -0.288) 1.268 31.427 ( 0.968 0.000 -1.060) 1.435 31.663 ( -0.407 0.000 3.132) 3.158 31.910 ( -2.027 0.000 -1.001) 2.261 33.453 ( 1.522 0.000 -1.027) 1.836 33.502 ( 1.009 0.000 -0.142) 1.018 33.633 ( 4.741 0.000 -2.979) 5.599 33.725 ( 4.198 0.000 -6.428) 7.677 33.743 ( -0.893 0.000 1.401) 1.661 33.775 ( -1.464 0.000 0.050) 1.464 34.032 ( -0.475 0.000 3.616) 3.647 34.055 ( -1.326 0.000 0.134) 1.333 34.100 ( -2.487 0.000 -3.003) 3.899 34.293 ( -0.414 0.000 2.477) 2.512 34.305 ( -2.685 0.000 9.020) 9.412 34.347 ( -0.244 0.000 2.640) 2.651 35.140 ( 0.460 0.000 5.008) 5.029 35.299 ( 1.151 0.000 -0.630) 1.313 35.585 ( 1.894 0.000 -2.429) 3.080 36.209 ( 1.335 0.000 -7.508) 7.626 36.444 ( 0.200 0.000 10.059) 10.061 36.535 ( 0.051 0.000 8.880) 8.880 36.592 ( 0.294 0.000 9.466) 9.470 37.065 ( -0.527 0.000 2.115) 2.179 38.023 ( -0.387 0.000 -2.964) 2.989 38.279 ( 0.270 0.000 -10.120) 10.124 38.284 ( 0.005 0.000 -7.298) 7.298 38.490 ( 1.413 0.000 -11.049) 11.139 ======================= Grid point 30 (13/36) ======================= q-point: ( 0.00 0.25 0.14) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.000 23.996 18.987) 30.599 0.939 ( 0.000 23.577 23.130) 33.029 1.510 ( 0.000 30.444 29.884) 42.660 1.726 ( 0.000 -12.647 14.513) 19.251 1.811 ( 0.000 -9.251 7.367) 11.825 2.048 ( 0.000 -0.774 7.332) 7.373 2.057 ( 0.000 -0.298 3.508) 3.521 2.112 ( 0.000 2.368 4.156) 4.784 2.260 ( 0.000 4.340 8.128) 9.214 2.374 ( 0.000 -4.723 5.919) 7.572 2.407 ( 0.000 -8.801 2.396) 9.122 2.431 ( 0.000 0.707 5.081) 5.130 2.596 ( 0.000 9.231 0.220) 9.234 2.598 ( 0.000 -5.737 5.363) 7.854 2.698 ( 0.000 -0.069 -0.685) 0.689 2.802 ( 0.000 -1.310 -0.547) 1.420 2.820 ( 0.000 -9.326 0.281) 9.330 2.934 ( 0.000 3.698 -1.604) 4.031 3.014 ( 0.000 3.093 -0.030) 3.093 3.064 ( 0.000 8.412 -0.195) 8.415 3.103 ( 0.000 4.998 -0.636) 5.038 3.193 ( 0.000 2.271 -0.426) 2.311 3.218 ( 0.000 -0.484 -0.049) 0.487 3.276 ( 0.000 1.018 0.307) 1.063 3.291 ( 0.000 -2.253 0.867) 2.414 3.355 ( 0.000 -4.148 0.660) 4.200 3.375 ( 0.000 -3.380 -2.220) 4.044 3.387 ( 0.000 -5.532 -3.872) 6.752 3.455 ( 0.000 0.468 3.216) 3.250 3.487 ( 0.000 -2.056 5.468) 5.842 3.499 ( 0.000 -11.324 3.300) 11.795 3.537 ( 0.000 -0.389 1.352) 1.406 3.623 ( 0.000 -1.844 4.814) 5.156 3.638 ( 0.000 -0.642 -1.823) 1.933 3.674 ( 0.000 -4.122 5.206) 6.641 3.690 ( 0.000 -1.052 2.149) 2.393 3.721 ( 0.000 -2.655 -0.931) 2.813 3.757 ( 0.000 -1.414 -1.797) 2.287 3.849 ( 0.000 5.439 -3.121) 6.271 3.921 ( 0.000 3.361 -2.361) 4.107 3.962 ( 0.000 2.238 0.648) 2.330 4.006 ( 0.000 4.398 2.867) 5.250 4.025 ( 0.000 -1.557 -2.673) 3.093 4.177 ( 0.000 -5.618 -1.853) 5.916 4.263 ( 0.000 -2.310 3.260) 3.996 4.280 ( 0.000 -2.481 2.515) 3.533 4.333 ( 0.000 -2.653 -2.560) 3.687 4.406 ( 0.000 -7.465 3.746) 8.352 4.552 ( 0.000 -1.705 3.448) 3.846 4.611 ( 0.000 -1.137 -3.321) 3.510 4.750 ( 0.000 5.673 4.175) 7.044 4.763 ( 0.000 7.853 -1.253) 7.953 4.785 ( 0.000 6.210 -1.196) 6.324 4.851 ( 0.000 1.505 7.313) 7.466 4.931 ( 0.000 -1.692 2.999) 3.443 5.038 ( 0.000 3.060 2.022) 3.668 5.041 ( 0.000 12.181 -0.833) 12.209 5.176 ( 0.000 -4.012 -1.158) 4.176 5.274 ( 0.000 4.925 1.093) 5.045 5.294 ( 0.000 -0.474 -5.322) 5.343 5.313 ( 0.000 1.682 -1.690) 2.385 5.341 ( 0.000 -4.746 -4.505) 6.544 5.397 ( 0.000 3.560 8.254) 8.989 5.525 ( 0.000 0.917 6.831) 6.892 5.654 ( 0.000 -3.483 10.141) 10.722 5.679 ( 0.000 -0.461 9.312) 9.324 5.777 ( 0.000 4.469 -0.687) 4.521 5.980 ( 0.000 -1.757 1.453) 2.280 5.994 ( 0.000 0.164 -3.456) 3.460 6.103 ( 0.000 2.323 2.129) 3.151 6.114 ( 0.000 -0.329 4.787) 4.799 6.168 ( 0.000 0.971 1.523) 1.806 6.209 ( 0.000 -17.278 0.151) 17.278 6.388 ( 0.000 9.734 -2.118) 9.962 6.424 ( 0.000 -16.990 16.710) 23.830 6.492 ( 0.000 3.192 2.734) 4.203 6.652 ( 0.000 -3.637 -0.446) 3.664 6.867 ( 0.000 2.167 -2.084) 3.007 6.930 ( 0.000 2.159 -6.314) 6.673 6.947 ( 0.000 -7.366 -2.936) 7.929 7.008 ( 0.000 -5.185 -2.916) 5.949 7.060 ( 0.000 7.583 -3.867) 8.512 7.093 ( 0.000 -2.570 -3.048) 3.987 7.177 ( 0.000 -0.055 0.794) 0.796 7.223 ( 0.000 -0.107 5.661) 5.662 7.307 ( 0.000 3.064 3.326) 4.523 7.340 ( 0.000 -4.704 -5.133) 6.962 7.377 ( 0.000 0.739 1.761) 1.910 7.541 ( 0.000 0.769 -0.868) 1.160 7.559 ( 0.000 -0.352 -1.624) 1.662 7.591 ( 0.000 4.998 1.256) 5.154 7.731 ( 0.000 0.779 -4.742) 4.806 7.812 ( 0.000 2.327 -8.065) 8.394 7.923 ( 0.000 -2.623 -0.421) 2.656 7.961 ( 0.000 3.677 -6.086) 7.110 8.060 ( 0.000 -2.570 2.283) 3.438 8.223 ( 0.000 2.303 -8.822) 9.118 8.341 ( 0.000 -1.223 -0.609) 1.366 8.383 ( 0.000 4.523 -4.373) 6.291 8.400 ( 0.000 0.392 -0.734) 0.832 8.531 ( 0.000 -2.840 -0.978) 3.004 8.702 ( 0.000 -13.738 -6.549) 15.219 8.840 ( 0.000 2.460 5.679) 6.189 9.144 ( 0.000 5.081 -2.133) 5.511 9.165 ( 0.000 -3.570 -3.478) 4.984 9.318 ( 0.000 -3.279 0.223) 3.287 9.420 ( 0.000 2.510 6.256) 6.741 9.430 ( 0.000 7.939 -8.084) 11.330 9.514 ( 0.000 2.577 -1.837) 3.164 9.677 ( 0.000 0.524 -8.042) 8.059 9.893 ( 0.000 3.426 -1.871) 3.903 9.897 ( 0.000 4.254 1.811) 4.623 9.962 ( 0.000 2.999 5.059) 5.881 10.053 ( 0.000 -3.108 0.687) 3.184 10.323 ( 0.000 -0.527 14.337) 14.347 10.560 ( 0.000 -10.344 2.801) 10.716 10.965 ( 0.000 7.168 -13.938) 15.673 11.045 ( 0.000 1.756 -10.749) 10.892 11.214 ( 0.000 8.135 -9.661) 12.630 11.273 ( 0.000 -0.121 -2.740) 2.743 13.315 ( 0.000 1.237 -5.671) 5.804 13.338 ( 0.000 -0.216 -6.961) 6.964 13.409 ( 0.000 2.019 -4.907) 5.306 13.518 ( 0.000 -2.486 -5.912) 6.413 13.617 ( 0.000 1.770 8.658) 8.837 13.693 ( 0.000 -1.294 11.296) 11.370 14.041 ( 0.000 -0.881 4.989) 5.066 14.080 ( 0.000 -6.245 8.583) 10.615 15.010 ( 0.000 -0.357 10.660) 10.666 15.015 ( 0.000 -0.296 7.953) 7.958 15.474 ( 0.000 -0.336 2.110) 2.136 15.532 ( 0.000 -2.065 0.901) 2.253 15.792 ( 0.000 1.189 -1.831) 2.183 15.831 ( 0.000 0.519 -2.709) 2.758 15.965 ( 0.000 0.907 -2.617) 2.770 16.081 ( 0.000 -2.878 -5.448) 6.162 16.664 ( 0.000 2.859 3.023) 4.161 16.722 ( 0.000 -0.520 3.400) 3.439 16.803 ( 0.000 5.974 2.424) 6.447 17.098 ( 0.000 -4.753 -0.301) 4.763 17.162 ( 0.000 6.375 -1.860) 6.641 17.407 ( 0.000 -3.262 -4.271) 5.374 17.432 ( 0.000 0.654 -3.695) 3.753 17.535 ( 0.000 -2.568 -3.399) 4.260 17.555 ( 0.000 1.221 4.177) 4.352 17.670 ( 0.000 -4.250 5.971) 7.330 17.793 ( 0.000 0.325 5.646) 5.655 17.811 ( 0.000 -0.465 1.375) 1.452 19.146 ( 0.000 0.039 -0.229) 0.232 19.149 ( 0.000 -0.046 0.454) 0.456 19.247 ( 0.000 3.712 -2.813) 4.658 19.333 ( 0.000 -1.012 -1.696) 1.975 20.015 ( 0.000 0.448 0.548) 0.707 20.037 ( 0.000 -0.817 0.669) 1.056 20.061 ( 0.000 1.955 0.323) 1.982 20.070 ( 0.000 0.328 0.847) 0.908 20.083 ( 0.000 -0.176 0.697) 0.719 20.158 ( 0.000 -1.806 0.817) 1.982 20.311 ( 0.000 3.465 -2.591) 4.327 20.481 ( 0.000 -1.743 -4.326) 4.664 21.318 ( 0.000 1.566 -1.193) 1.969 21.390 ( 0.000 -1.463 -1.911) 2.407 21.437 ( 0.000 0.922 -2.852) 2.997 21.446 ( 0.000 1.505 -4.778) 5.010 21.991 ( 0.000 0.270 0.352) 0.444 22.006 ( 0.000 -0.297 0.204) 0.360 22.007 ( 0.000 -0.275 0.288) 0.398 22.007 ( 0.000 -0.848 1.095) 1.385 23.539 ( 0.000 0.218 -0.573) 0.613 23.562 ( 0.000 -0.758 -0.545) 0.934 23.636 ( 0.000 0.888 -1.809) 2.015 23.645 ( 0.000 1.489 -3.504) 3.808 26.144 ( 0.000 4.767 0.665) 4.813 26.271 ( 0.000 4.532 -1.194) 4.687 26.398 ( 0.000 -5.264 0.281) 5.271 26.508 ( 0.000 -4.911 -1.286) 5.076 27.195 ( 0.000 1.756 -2.415) 2.986 27.227 ( 0.000 -0.173 2.656) 2.662 27.229 ( 0.000 -0.559 -1.750) 1.837 27.268 ( 0.000 -1.238 2.158) 2.488 27.349 ( 0.000 1.427 1.243) 1.892 27.400 ( 0.000 -0.680 0.996) 1.206 27.502 ( 0.000 0.225 -4.462) 4.468 27.506 ( 0.000 0.049 -4.935) 4.935 31.223 ( 0.000 3.222 1.181) 3.431 31.237 ( 0.000 -1.012 0.611) 1.182 31.259 ( 0.000 -0.714 4.035) 4.097 31.303 ( 0.000 1.367 -0.484) 1.450 31.374 ( 0.000 -0.222 1.411) 1.429 31.562 ( 0.000 -5.730 3.182) 6.555 31.691 ( 0.000 10.145 -8.075) 12.966 31.966 ( 0.000 -4.058 -2.751) 4.902 33.349 ( 0.000 0.942 -0.754) 1.206 33.395 ( 0.000 -0.806 -0.429) 0.913 33.445 ( 0.000 2.938 -5.538) 6.268 33.465 ( 0.000 0.906 -4.825) 4.909 33.787 ( 0.000 0.860 1.581) 1.800 33.830 ( 0.000 -0.838 1.426) 1.654 34.065 ( 0.000 2.134 5.062) 5.494 34.131 ( 0.000 0.187 -1.785) 1.795 34.149 ( 0.000 -0.517 -1.785) 1.858 34.283 ( 0.000 -6.187 4.690) 7.764 34.353 ( 0.000 1.253 4.984) 5.139 34.518 ( 0.000 -14.215 16.146) 21.512 35.131 ( 0.000 1.381 2.542) 2.894 35.215 ( 0.000 -2.424 1.180) 2.696 35.605 ( 0.000 5.311 -4.460) 6.936 35.720 ( 0.000 -1.326 -2.894) 3.183 36.437 ( 0.000 0.529 10.964) 10.977 36.543 ( 0.000 0.780 9.380) 9.412 36.561 ( 0.000 -2.819 10.511) 10.883 36.620 ( 0.000 -11.359 20.789) 23.690 38.197 ( 0.000 5.199 -9.765) 11.062 38.275 ( 0.000 -0.938 -6.682) 6.747 38.285 ( 0.000 -0.186 -7.968) 7.970 38.286 ( 0.000 -0.038 -7.098) 7.098 ======================= Grid point 31 (14/36) ======================= q-point: ( 0.20 0.25 0.14) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 17.768 15.849 14.048) 27.645 1.139 ( 16.278 16.194 21.314) 31.329 1.745 ( 9.510 -3.877 6.909) 12.378 1.798 ( 4.848 -9.833 9.497) 14.505 1.900 ( 10.176 7.067 10.710) 16.377 2.031 ( -0.335 -1.005 7.524) 7.599 2.089 ( -0.311 5.241 3.108) 6.101 2.142 ( 8.477 3.200 10.565) 13.918 2.279 ( 3.871 6.796 11.522) 13.926 2.323 ( -5.564 -7.502 1.119) 9.407 2.364 ( -5.214 0.151 5.655) 7.693 2.390 ( -2.830 0.384 5.237) 5.965 2.507 ( -4.531 5.513 6.660) 9.761 2.578 ( -2.314 -4.321 5.515) 7.378 2.682 ( -0.818 0.189 -0.516) 0.986 2.751 ( -6.716 0.413 -0.530) 6.750 2.792 ( -0.868 -2.937 -3.204) 4.433 2.878 ( -4.948 3.040 -0.523) 5.831 2.999 ( -0.503 2.485 -0.709) 2.633 3.084 ( -4.305 -1.897 1.154) 4.844 3.108 ( -0.602 2.517 -0.262) 2.601 3.144 ( -1.796 -0.128 -1.142) 2.132 3.200 ( -1.689 -2.232 0.548) 2.852 3.225 ( -4.354 0.739 -1.088) 4.548 3.278 ( -2.434 -3.178 -1.792) 4.386 3.298 ( 2.587 0.388 -0.728) 2.715 3.346 ( -1.463 -0.767 0.107) 1.655 3.387 ( -2.389 3.099 2.751) 4.783 3.442 ( -0.297 0.399 -0.863) 0.996 3.453 ( -1.299 -1.553 0.839) 2.192 3.560 ( 1.091 -1.786 -0.278) 2.111 3.597 ( 0.407 -0.626 0.850) 1.131 3.614 ( 2.495 -4.859 2.247) 5.906 3.632 ( -0.142 -0.815 -0.201) 0.851 3.669 ( 2.506 -3.973 3.625) 5.934 3.719 ( 1.514 -5.236 0.350) 5.461 3.761 ( 2.152 -2.172 1.060) 3.236 3.785 ( 4.668 -3.136 2.031) 5.979 3.870 ( 0.574 0.595 -2.336) 2.478 3.931 ( 1.428 3.594 -1.573) 4.175 3.987 ( 2.688 0.855 0.931) 2.970 4.016 ( 2.434 3.447 1.005) 4.338 4.071 ( 1.405 -2.334 0.508) 2.771 4.168 ( -0.048 -2.197 0.272) 2.214 4.267 ( -1.300 -2.990 2.314) 3.998 4.315 ( -2.048 -2.481 -2.246) 3.924 4.340 ( 1.028 -3.507 -0.478) 3.686 4.377 ( -2.550 -6.244 3.774) 7.729 4.553 ( -0.329 0.479 1.988) 2.071 4.638 ( 2.568 -1.052 -2.626) 3.821 4.697 ( -3.219 4.705 4.305) 7.144 4.714 ( -2.882 5.799 0.521) 6.496 4.757 ( -0.408 2.199 -0.561) 2.306 4.874 ( 0.814 4.952 2.912) 5.802 4.976 ( -0.529 3.570 5.506) 6.584 5.003 ( -2.073 2.935 0.930) 3.712 5.101 ( 3.767 -4.057 -2.285) 5.989 5.174 ( -0.907 2.156 -1.130) 2.598 5.198 ( -3.460 0.735 -2.441) 4.298 5.282 ( -1.659 0.615 -2.469) 3.037 5.326 ( 0.850 2.169 -2.624) 3.509 5.367 ( 2.028 -2.347 -1.774) 3.573 5.394 ( 0.641 6.249 10.069) 11.868 5.516 ( 0.008 3.080 8.000) 8.572 5.661 ( 0.780 -3.356 10.013) 10.589 5.708 ( 2.294 -0.339 9.960) 10.227 5.821 ( 3.302 2.862 0.065) 4.370 5.957 ( -0.854 -2.112 0.648) 2.368 6.062 ( 4.588 1.040 -1.052) 4.821 6.083 ( -1.716 1.023 2.410) 3.130 6.158 ( 1.842 0.565 4.999) 5.358 6.163 ( 2.129 -2.131 4.937) 5.783 6.266 ( -0.993 -10.989 8.974) 14.223 6.383 ( 5.079 -8.297 2.121) 9.957 6.443 ( 4.341 7.677 0.159) 8.821 6.552 ( 3.793 -2.942 2.866) 5.591 6.666 ( 1.141 -3.514 -0.924) 3.808 6.841 ( -5.341 -0.210 -5.454) 7.637 6.880 ( -0.369 2.323 -2.305) 3.293 6.953 ( -2.041 -1.491 -3.559) 4.365 6.991 ( -3.703 3.256 -1.213) 5.078 7.038 ( -2.544 2.973 -3.179) 5.042 7.073 ( 2.462 -8.369 -3.080) 9.251 7.142 ( -3.901 6.567 2.463) 8.025 7.185 ( -5.754 4.219 1.829) 7.366 7.248 ( -0.154 -0.902 3.565) 3.681 7.319 ( -4.473 3.875 0.066) 5.919 7.400 ( 3.606 -0.495 -0.682) 3.703 7.471 ( 5.216 -6.021 -2.514) 8.353 7.565 ( 2.334 -2.407 1.298) 3.595 7.617 ( 0.706 -0.004 -2.740) 2.830 7.725 ( 0.252 4.242 -4.371) 6.096 7.884 ( -2.023 0.188 -6.367) 6.683 7.930 ( 0.570 3.699 -1.562) 4.056 8.009 ( 1.749 -3.185 -2.535) 4.431 8.074 ( 1.374 -0.996 -1.132) 2.039 8.223 ( 2.415 0.309 -3.456) 4.228 8.352 ( 0.375 0.298 -1.146) 1.242 8.422 ( 2.280 1.372 -3.521) 4.414 8.470 ( 5.549 6.030 -2.179) 8.479 8.530 ( 0.001 -4.666 -2.736) 5.409 8.682 ( 0.482 -1.841 2.467) 3.116 8.850 ( -1.676 -0.205 4.426) 4.737 9.098 ( -0.965 -0.210 -6.214) 6.292 9.101 ( -7.379 1.711 -3.338) 8.278 9.240 ( -8.567 -3.723 -2.999) 9.811 9.375 ( -0.015 2.893 -1.976) 3.504 9.445 ( -2.363 -0.477 -0.739) 2.522 9.510 ( 0.823 4.424 1.690) 4.807 9.667 ( -1.867 0.139 -3.958) 4.378 9.805 ( -5.236 5.355 2.375) 7.857 9.916 ( -0.945 -0.126 1.126) 1.476 9.974 ( 2.143 4.855 3.738) 6.491 10.004 ( -1.512 0.864 1.488) 2.290 10.216 ( -8.126 -0.612 8.193) 11.556 10.448 ( -7.764 -7.424 5.454) 12.048 10.888 ( -5.401 7.616 -12.335) 15.470 11.051 ( 1.206 -2.505 -5.718) 6.358 11.198 ( 0.938 4.549 -6.561) 8.038 11.399 ( 3.715 -4.341 -11.484) 12.827 13.277 ( -1.689 2.033 -3.484) 4.374 13.382 ( 2.423 -2.377 -7.071) 7.843 13.465 ( 3.663 1.278 -4.583) 6.005 13.532 ( 0.273 -1.829 -2.859) 3.405 13.599 ( -1.490 0.765 7.881) 8.057 13.641 ( -3.253 -0.865 7.455) 8.180 14.019 ( -3.397 -1.408 5.555) 6.662 14.043 ( 0.279 -1.161 2.713) 2.964 15.033 ( 1.394 -0.157 8.232) 8.350 15.041 ( 2.432 -0.700 12.210) 12.469 15.549 ( 6.875 -0.407 0.268) 6.892 15.583 ( 4.954 -0.916 0.073) 5.039 15.820 ( 1.471 1.294 -0.469) 2.015 15.875 ( 3.450 0.658 -2.052) 4.068 15.952 ( -1.445 0.170 -1.413) 2.028 16.075 ( -2.044 -3.693 -5.052) 6.583 16.655 ( -0.567 2.234 3.131) 3.888 16.720 ( -0.168 -0.516 2.361) 2.423 16.789 ( -1.252 5.826 2.007) 6.288 17.075 ( -1.817 -4.885 -0.142) 5.214 17.199 ( 3.048 6.395 -2.505) 7.514 17.356 ( -3.938 -2.410 -5.115) 6.891 17.379 ( -4.196 -0.058 -4.336) 6.034 17.527 ( 0.698 -2.376 -2.025) 3.200 17.613 ( 2.663 0.626 3.575) 4.501 17.680 ( 0.652 -2.981 5.843) 6.592 17.780 ( -1.186 -0.109 5.653) 5.777 17.787 ( -1.976 -0.213 2.964) 3.569 19.142 ( -0.285 -0.066 -0.030) 0.294 19.148 ( -0.087 -0.177 0.520) 0.556 19.230 ( -0.626 3.672 -1.289) 3.942 19.369 ( 1.720 -2.879 -2.926) 4.450 20.016 ( 0.010 0.260 0.850) 0.889 20.034 ( -0.167 -0.658 0.649) 0.939 20.065 ( -0.227 0.661 0.604) 0.924 20.084 ( 0.087 -0.269 0.583) 0.648 20.105 ( 3.159 1.145 0.047) 3.361 20.132 ( -1.044 0.886 0.243) 1.391 20.345 ( 2.395 1.125 -1.867) 3.238 20.443 ( -3.023 -1.098 -2.646) 4.165 21.334 ( 1.341 1.015 -1.411) 2.196 21.388 ( -1.157 -0.833 -2.441) 2.827 21.405 ( -1.434 0.995 -2.348) 2.926 21.434 ( -1.184 0.242 -3.170) 3.393 21.990 ( -0.099 0.263 0.347) 0.446 21.998 ( -0.434 -0.112 0.897) 1.003 22.005 ( -0.121 -0.296 0.218) 0.387 22.006 ( -0.080 -0.264 0.302) 0.409 23.546 ( 0.669 -0.015 -0.514) 0.844 23.567 ( 0.441 -0.748 -0.588) 1.048 23.630 ( -0.836 0.930 -1.918) 2.290 23.631 ( -0.431 1.038 -1.675) 2.017 26.112 ( -2.357 6.064 0.598) 6.533 26.249 ( -1.723 4.939 -1.703) 5.502 26.431 ( 2.439 -6.504 0.167) 6.948 26.511 ( 0.243 -5.299 -1.257) 5.452 27.199 ( 0.810 0.827 -2.018) 2.326 27.211 ( 0.537 0.730 -0.230) 0.935 27.260 ( 0.547 -0.706 1.722) 1.940 27.294 ( 1.547 -1.865 -0.397) 2.455 27.359 ( 1.072 1.070 1.339) 2.022 27.400 ( -0.027 -0.537 0.962) 1.102 27.485 ( -1.596 0.320 -4.082) 4.395 27.494 ( -0.764 -0.114 -4.967) 5.027 31.215 ( -0.448 1.295 0.926) 1.654 31.229 ( -0.799 -0.998 1.421) 1.911 31.267 ( 0.931 2.725 2.363) 3.725 31.302 ( 0.085 1.103 -0.395) 1.175 31.365 ( -0.854 0.154 1.265) 1.534 31.525 ( -1.758 3.830 0.679) 4.268 31.639 ( -2.309 1.015 0.111) 2.525 31.922 ( -3.529 -4.845 -2.079) 6.344 33.411 ( 2.572 -0.137 -0.525) 2.629 33.439 ( 2.899 -1.592 -1.332) 3.565 33.521 ( 6.318 2.180 -3.679) 7.629 33.583 ( 8.875 0.197 -9.025) 12.659 33.779 ( -0.592 1.100 0.730) 1.447 33.812 ( -1.515 -0.409 0.793) 1.758 34.059 ( -0.537 1.938 4.579) 5.001 34.104 ( -2.144 0.670 -0.122) 2.249 34.139 ( -1.373 -0.799 -2.333) 2.823 34.254 ( -2.177 -6.107 5.304) 8.377 34.354 ( -0.243 0.460 4.312) 4.344 34.401 ( -5.926 -2.799 10.696) 12.545 35.141 ( 0.799 1.515 3.253) 3.676 35.236 ( 1.726 -2.455 0.776) 3.100 35.623 ( 4.506 8.664 -2.701) 10.132 36.042 ( 13.594 -7.842 -13.884) 20.954 36.441 ( 0.295 0.564 11.064) 11.083 36.545 ( 0.204 0.960 9.279) 9.331 36.571 ( 0.599 -1.449 9.205) 9.338 36.716 ( 7.689 -18.703 16.172) 25.893 38.101 ( -4.408 3.433 -5.074) 7.547 38.205 ( -2.793 -3.178 -6.853) 8.053 38.340 ( 2.626 2.355 -8.780) 9.462 38.407 ( 5.229 -1.234 -10.382) 11.690 ======================= Grid point 32 (15/36) ======================= q-point: ( 0.40 0.25 0.14) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 19.624 6.570 10.522) 23.216 1.532 ( 20.209 8.455 11.155) 24.583 1.815 ( -5.091 0.919 10.283) 11.512 1.892 ( 6.403 -9.215 0.941) 11.261 1.930 ( -7.089 4.866 2.590) 8.980 2.054 ( -1.417 2.474 5.268) 5.990 2.071 ( -1.629 -0.599 5.485) 5.753 2.136 ( -3.923 2.382 4.796) 6.638 2.177 ( -5.388 -1.649 1.829) 5.924 2.252 ( -1.832 0.165 6.796) 7.041 2.331 ( 0.035 -5.530 7.863) 9.613 2.442 ( -4.921 -2.983 5.865) 8.217 2.515 ( -1.763 -2.494 5.103) 5.947 2.551 ( -3.642 -0.535 7.050) 7.953 2.689 ( 0.921 0.291 -1.521) 1.802 2.757 ( 19.410 7.290 5.855) 21.544 2.784 ( 1.376 -0.424 -2.107) 2.552 2.838 ( 0.544 -3.448 -0.388) 3.512 2.922 ( -4.376 -4.309 2.158) 6.509 3.008 ( -0.769 4.265 -1.829) 4.704 3.031 ( -0.749 5.798 -0.907) 5.917 3.127 ( -0.701 2.078 -2.354) 3.217 3.149 ( -0.788 2.746 -1.250) 3.118 3.223 ( -2.407 3.697 1.121) 4.552 3.243 ( -0.675 -1.981 -3.782) 4.323 3.253 ( -4.263 -0.652 -1.482) 4.560 3.320 ( -0.447 -0.639 3.950) 4.026 3.355 ( -2.578 2.454 -0.042) 3.560 3.432 ( 0.312 2.898 0.260) 2.926 3.495 ( 1.063 1.052 1.609) 2.196 3.554 ( -1.721 -2.352 -3.917) 4.882 3.578 ( -1.334 -3.058 2.089) 3.936 3.650 ( 2.998 -1.770 1.053) 3.637 3.685 ( 1.718 -5.638 -0.678) 5.933 3.724 ( 2.886 0.969 -0.208) 3.052 3.736 ( 1.679 -1.485 3.847) 4.452 3.804 ( 0.705 -3.165 -0.221) 3.250 3.866 ( 0.751 -3.407 2.205) 4.127 3.888 ( -0.023 -3.599 -2.178) 4.207 3.975 ( 2.531 3.805 -2.049) 5.008 4.033 ( -1.436 -0.266 -1.656) 2.208 4.046 ( 0.534 -3.826 0.156) 3.866 4.078 ( 0.119 2.915 6.696) 7.303 4.149 ( 1.741 1.375 3.651) 4.272 4.201 ( -5.498 -2.160 0.123) 5.908 4.258 ( -1.569 -3.400 2.054) 4.271 4.278 ( -3.217 0.126 3.113) 4.479 4.321 ( -2.357 -3.829 4.533) 6.385 4.575 ( 2.413 1.382 0.659) 2.858 4.642 ( -1.858 3.692 1.733) 4.482 4.674 ( 0.252 0.650 -1.226) 1.410 4.734 ( 2.700 0.889 -1.781) 3.354 4.753 ( 0.250 0.639 -1.183) 1.367 4.862 ( -1.053 3.858 0.447) 4.024 4.914 ( -3.562 -0.712 0.203) 3.638 4.979 ( -0.162 4.908 7.692) 9.126 5.128 ( -1.303 -4.012 -1.750) 4.567 5.154 ( -0.773 -0.043 -1.145) 1.382 5.161 ( 0.409 -1.529 -1.416) 2.124 5.235 ( -2.092 -2.133 -2.670) 4.007 5.329 ( -0.101 4.074 0.595) 4.118 5.411 ( 1.352 -0.576 -2.163) 2.615 5.441 ( 1.742 4.031 5.506) 7.043 5.559 ( 3.763 8.112 12.505) 15.373 5.679 ( 0.188 -2.406 10.504) 10.778 5.752 ( 1.473 1.153 11.560) 11.711 5.874 ( 1.627 -0.519 -0.900) 1.931 5.943 ( -0.613 -1.212 2.502) 2.846 6.035 ( -2.279 0.339 3.759) 4.410 6.087 ( -1.261 -1.758 10.385) 10.608 6.142 ( -2.094 0.545 5.830) 6.218 6.209 ( 1.461 -2.364 4.258) 5.085 6.374 ( 12.459 -0.540 1.531) 12.564 6.527 ( 2.956 4.436 1.468) 5.529 6.560 ( 3.146 -7.477 -2.666) 8.538 6.631 ( 2.684 -4.368 0.153) 5.129 6.672 ( -1.105 -2.917 -1.735) 3.570 6.745 ( -1.613 0.109 -1.881) 2.480 6.852 ( -1.117 0.442 -2.477) 2.753 6.866 ( -2.677 3.869 -2.332) 5.251 6.924 ( -4.380 0.515 -2.351) 4.998 6.989 ( -1.513 4.157 -3.606) 5.707 7.102 ( 0.770 -2.339 0.033) 2.463 7.121 ( -0.150 8.451 1.486) 8.582 7.123 ( 0.368 -3.541 0.570) 3.605 7.216 ( -1.373 -2.196 4.808) 5.461 7.320 ( 1.058 2.102 -1.170) 2.628 7.474 ( 2.658 1.029 -2.727) 3.945 7.539 ( -1.954 -6.130 -1.851) 6.694 7.568 ( 1.729 -5.327 -2.854) 6.286 7.651 ( 0.928 -1.899 -7.029) 7.339 7.758 ( 1.073 7.006 -0.975) 7.154 7.845 ( 0.546 -6.612 -3.597) 7.547 7.934 ( 0.738 -1.734 -1.651) 2.505 8.017 ( -0.049 -0.816 -0.739) 1.102 8.055 ( -2.491 0.259 -1.485) 2.911 8.285 ( 2.123 1.604 -3.845) 4.676 8.383 ( -1.924 -0.044 -5.725) 6.039 8.418 ( -0.225 2.963 3.780) 4.809 8.491 ( 2.433 14.946 -4.118) 15.693 8.649 ( 5.842 -4.586 1.288) 7.538 8.732 ( 2.131 3.809 4.817) 6.500 8.791 ( -1.248 1.484 5.564) 5.892 8.939 ( -6.148 4.020 -7.461) 10.470 9.060 ( -2.826 -0.678 -3.781) 4.769 9.122 ( -1.863 -8.220 -3.216) 9.021 9.333 ( -2.457 1.155 -2.602) 3.761 9.408 ( -4.437 6.564 -4.268) 8.999 9.510 ( 1.181 -7.142 6.899) 10.000 9.545 ( -4.308 -1.377 -3.584) 5.771 9.811 ( 3.150 3.896 2.768) 5.724 9.902 ( -5.487 1.685 4.743) 7.446 9.917 ( 0.005 -2.830 1.644) 3.273 10.017 ( 1.158 7.291 -0.595) 7.406 10.152 ( 1.067 -3.084 6.200) 7.006 10.309 ( -4.904 -3.988 5.319) 8.261 10.792 ( -2.936 8.127 -9.602) 12.918 11.106 ( 3.727 -1.483 -7.625) 8.616 11.182 ( -2.675 0.432 -8.499) 8.920 11.421 ( -0.250 -6.661 -10.688) 12.596 13.258 ( -0.346 3.031 -1.706) 3.496 13.425 ( 1.965 -2.984 -4.059) 5.407 13.487 ( -3.028 -0.077 5.322) 6.124 13.525 ( 1.390 0.375 -2.231) 2.656 13.571 ( -0.726 -0.374 6.452) 6.503 13.621 ( 0.261 -1.388 -3.015) 3.329 13.980 ( -0.701 1.121 0.891) 1.594 14.052 ( 0.337 -1.484 -0.919) 1.777 15.057 ( 0.722 0.089 8.422) 8.453 15.085 ( 1.335 -1.273 14.563) 14.680 15.694 ( 6.678 1.105 -1.436) 6.920 15.750 ( 9.354 -0.842 -2.008) 9.604 15.834 ( -1.021 1.834 -0.938) 2.299 15.870 ( -2.718 1.829 -0.389) 3.299 15.964 ( 0.516 -2.584 0.442) 2.672 15.972 ( -6.014 -2.338 -2.309) 6.853 16.649 ( -0.048 1.578 2.577) 3.022 16.717 ( -0.040 -0.844 0.878) 1.219 16.762 ( -0.966 5.727 1.621) 6.030 17.042 ( -0.984 -5.051 1.027) 5.247 17.231 ( -0.742 0.948 -4.841) 4.989 17.291 ( -2.147 -4.367 -4.901) 6.907 17.324 ( 0.286 5.035 -6.749) 8.425 17.545 ( 0.646 -1.786 -1.786) 2.607 17.654 ( 1.468 1.080 5.095) 5.411 17.681 ( -0.660 -0.357 5.742) 5.791 17.740 ( -1.562 0.328 4.296) 4.582 17.765 ( -0.428 -0.861 7.694) 7.754 19.138 ( -0.079 -0.241 0.073) 0.264 19.147 ( -0.039 -0.351 0.607) 0.702 19.225 ( -0.063 3.091 -0.928) 3.228 19.388 ( 0.309 -3.683 -2.633) 4.538 20.015 ( -0.049 0.233 0.945) 0.974 20.031 ( -0.084 -0.551 0.771) 0.951 20.063 ( -0.041 0.703 0.416) 0.818 20.085 ( 0.035 -0.320 0.428) 0.535 20.092 ( -0.904 2.710 -0.162) 2.861 20.212 ( 4.558 -1.286 -0.223) 4.741 20.364 ( -2.688 0.408 -1.841) 3.283 20.391 ( 0.264 0.055 -1.265) 1.293 21.350 ( -1.293 0.993 -1.944) 2.537 21.360 ( 0.830 0.025 -1.687) 1.881 21.396 ( -0.147 -0.089 -1.884) 1.892 21.411 ( -0.773 -0.548 -2.700) 2.862 21.988 ( -0.064 0.234 0.351) 0.427 21.994 ( -0.062 0.198 0.503) 0.544 22.002 ( -0.100 -0.311 0.267) 0.422 22.005 ( -0.044 -0.194 0.247) 0.317 23.560 ( 0.469 -0.429 -0.611) 0.882 23.578 ( 0.483 -0.910 -0.667) 1.227 23.613 ( -0.623 1.076 -1.281) 1.785 23.628 ( -0.047 0.489 -1.210) 1.306 26.073 ( -1.131 7.693 0.464) 7.789 26.219 ( -0.883 5.508 -2.365) 6.059 26.470 ( 0.997 -8.092 -0.116) 8.154 26.516 ( 0.185 -5.952 -0.969) 6.033 27.225 ( 1.296 0.315 0.572) 1.451 27.232 ( 0.993 0.318 -2.792) 2.980 27.257 ( -0.738 0.424 0.972) 1.292 27.314 ( 0.505 -2.045 -1.814) 2.781 27.389 ( 1.309 0.497 1.745) 2.237 27.400 ( 0.250 -0.175 0.888) 0.939 27.445 ( -1.956 0.701 -3.507) 4.076 27.483 ( -0.317 -0.883 -4.705) 4.797 31.210 ( 0.033 0.571 0.541) 0.787 31.218 ( -0.363 -0.122 0.262) 0.464 31.280 ( 0.212 2.769 1.279) 3.057 31.315 ( 1.162 1.106 0.377) 1.647 31.342 ( -1.273 0.995 1.114) 1.963 31.519 ( 0.540 7.240 -0.612) 7.285 31.604 ( -1.165 -4.873 2.939) 5.809 31.857 ( -1.975 -5.209 -1.137) 5.686 33.458 ( 1.640 0.415 -0.945) 1.938 33.487 ( 1.433 -1.115 -0.277) 1.837 33.643 ( 3.612 1.003 -2.926) 4.755 33.701 ( 2.051 -1.423 -2.873) 3.806 33.777 ( 0.900 1.854 -2.844) 3.512 33.786 ( -0.520 0.907 -1.004) 1.450 34.049 ( -0.249 1.649 3.129) 3.545 34.063 ( -1.554 0.970 0.918) 2.050 34.093 ( -2.231 -0.732 -2.573) 3.483 34.219 ( -0.873 -5.062 5.376) 7.436 34.331 ( -1.183 0.889 5.812) 5.997 34.347 ( -0.419 -0.065 3.339) 3.366 35.157 ( 0.513 1.709 4.299) 4.654 35.269 ( 1.037 -2.757 0.342) 2.965 35.713 ( 2.883 12.078 -4.340) 13.154 36.180 ( 2.217 -3.722 -9.872) 10.780 36.446 ( 0.190 0.683 11.174) 11.196 36.549 ( 0.154 1.248 9.206) 9.291 36.581 ( 0.280 -1.206 9.210) 9.293 36.831 ( 2.620 -18.500 9.094) 20.780 38.046 ( -1.189 1.713 -3.686) 4.235 38.167 ( -0.889 -5.259 -6.798) 8.641 38.376 ( 0.869 3.728 -9.415) 10.163 38.474 ( 1.518 -1.429 -10.450) 10.656 ======================= Grid point 35 (16/36) ======================= q-point: ( 0.00 -0.50 0.14) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 -2.316 13.922) 14.113 1.347 ( 0.000 2.316 13.922) 14.113 1.415 ( 0.000 -0.530 14.691) 14.701 1.415 ( 0.000 0.530 14.691) 14.701 2.023 ( 0.000 -3.427 5.390) 6.387 2.023 ( 0.000 3.427 5.390) 6.387 2.191 ( 0.000 -0.093 0.918) 0.923 2.191 ( 0.000 0.093 0.918) 0.923 2.259 ( 0.000 -6.359 4.961) 8.065 2.259 ( 0.000 6.359 4.961) 8.065 2.454 ( 0.000 -18.140 14.007) 22.918 2.454 ( 0.000 18.140 14.007) 22.918 2.500 ( 0.000 -7.854 8.611) 11.655 2.500 ( 0.000 7.854 8.611) 11.655 2.711 ( 0.000 -0.150 -4.054) 4.057 2.711 ( 0.000 0.150 -4.054) 4.057 2.944 ( 0.000 -17.502 4.219) 18.003 2.944 ( 0.000 17.502 4.219) 18.003 3.022 ( 0.000 -5.123 0.475) 5.145 3.022 ( 0.000 5.123 0.475) 5.145 3.189 ( 0.000 -0.578 -1.664) 1.762 3.189 ( 0.000 0.578 -1.664) 1.762 3.197 ( 0.000 -1.817 -3.110) 3.602 3.197 ( 0.000 1.817 -3.110) 3.602 3.274 ( 0.000 -0.395 1.499) 1.550 3.274 ( 0.000 0.395 1.499) 1.550 3.334 ( 0.000 -0.169 -3.467) 3.471 3.334 ( 0.000 0.169 -3.467) 3.471 3.441 ( 0.000 -2.034 3.566) 4.105 3.441 ( 0.000 2.034 3.566) 4.105 3.488 ( 0.000 -3.095 3.453) 4.637 3.488 ( 0.000 3.095 3.453) 4.637 3.629 ( 0.000 -0.326 1.206) 1.249 3.629 ( 0.000 0.326 1.206) 1.249 3.681 ( 0.000 -0.733 3.128) 3.212 3.681 ( 0.000 0.733 3.128) 3.212 3.722 ( 0.000 -2.802 1.761) 3.309 3.722 ( 0.000 2.802 1.761) 3.309 3.931 ( 0.000 -3.762 -3.067) 4.854 3.931 ( 0.000 3.762 -3.067) 4.854 4.022 ( 0.000 -3.617 -2.188) 4.228 4.022 ( 0.000 3.617 -2.188) 4.228 4.068 ( 0.000 -2.008 0.315) 2.032 4.068 ( 0.000 2.008 0.315) 2.032 4.257 ( 0.000 -2.882 1.296) 3.160 4.257 ( 0.000 2.882 1.296) 3.160 4.284 ( 0.000 -3.663 3.308) 4.935 4.284 ( 0.000 3.663 3.308) 4.935 4.577 ( 0.000 -2.250 -1.943) 2.973 4.577 ( 0.000 2.250 -1.943) 2.973 4.827 ( 0.000 -1.511 6.663) 6.833 4.827 ( 0.000 1.511 6.663) 6.833 4.882 ( 0.000 -4.099 -2.423) 4.761 4.882 ( 0.000 4.099 -2.423) 4.761 4.976 ( 0.000 -8.910 -1.041) 8.971 4.976 ( 0.000 8.910 -1.041) 8.971 5.178 ( 0.000 -6.266 -1.528) 6.450 5.178 ( 0.000 6.266 -1.528) 6.450 5.256 ( 0.000 -7.105 -1.897) 7.354 5.256 ( 0.000 7.105 -1.897) 7.354 5.328 ( 0.000 -0.323 -4.206) 4.219 5.328 ( 0.000 0.323 -4.206) 4.219 5.566 ( 0.000 -6.338 8.765) 10.817 5.566 ( 0.000 6.338 8.765) 10.817 5.584 ( 0.000 -8.040 14.621) 16.686 5.584 ( 0.000 8.040 14.621) 16.686 5.917 ( 0.000 -9.544 -3.022) 10.011 5.917 ( 0.000 9.544 -3.022) 10.011 5.968 ( 0.000 -1.499 1.132) 1.879 5.968 ( 0.000 1.499 1.132) 1.879 6.137 ( 0.000 -1.060 3.390) 3.552 6.137 ( 0.000 1.060 3.390) 3.552 6.213 ( 0.000 -6.236 6.219) 8.807 6.213 ( 0.000 6.236 6.219) 8.807 6.554 ( 0.000 -6.166 1.137) 6.270 6.554 ( 0.000 6.166 1.137) 6.270 6.690 ( 0.000 -14.956 -0.595) 14.968 6.690 ( 0.000 14.956 -0.595) 14.968 6.922 ( 0.000 -3.646 -5.342) 6.467 6.922 ( 0.000 3.646 -5.342) 6.467 7.020 ( 0.000 -5.769 -4.115) 7.086 7.020 ( 0.000 5.769 -4.115) 7.086 7.145 ( 0.000 -1.739 1.665) 2.407 7.145 ( 0.000 1.739 1.665) 2.407 7.264 ( 0.000 -7.199 -1.924) 7.452 7.264 ( 0.000 7.199 -1.924) 7.452 7.363 ( 0.000 -1.783 -0.251) 1.800 7.363 ( 0.000 1.783 -0.251) 1.800 7.549 ( 0.000 -0.830 -1.821) 2.002 7.549 ( 0.000 0.830 -1.821) 2.002 7.702 ( 0.000 -4.216 -0.035) 4.216 7.702 ( 0.000 4.216 -0.035) 4.216 7.869 ( 0.000 -2.481 -3.037) 3.921 7.869 ( 0.000 2.481 -3.037) 3.921 8.004 ( 0.000 -2.518 -1.937) 3.177 8.004 ( 0.000 2.518 -1.937) 3.177 8.325 ( 0.000 -2.464 -4.542) 5.168 8.325 ( 0.000 2.464 -4.542) 5.168 8.375 ( 0.000 -2.920 -2.884) 4.104 8.375 ( 0.000 2.920 -2.884) 4.104 8.506 ( 0.000 -2.045 -0.783) 2.190 8.506 ( 0.000 2.045 -0.783) 2.190 9.011 ( 0.000 -10.481 -1.084) 10.537 9.011 ( 0.000 10.481 -1.084) 10.537 9.241 ( 0.000 -4.245 1.339) 4.451 9.241 ( 0.000 4.245 1.339) 4.451 9.453 ( 0.000 -1.254 4.536) 4.706 9.453 ( 0.000 1.254 4.536) 4.706 9.645 ( 0.000 -4.563 -13.212) 13.978 9.645 ( 0.000 4.563 -13.212) 13.978 9.967 ( 0.000 -2.186 2.580) 3.382 9.967 ( 0.000 2.186 2.580) 3.382 9.998 ( 0.000 -0.238 -1.581) 1.599 9.998 ( 0.000 0.238 -1.581) 1.599 10.363 ( 0.000 -6.526 11.467) 13.194 10.363 ( 0.000 6.526 11.467) 13.194 11.048 ( 0.000 -1.933 -10.179) 10.361 11.048 ( 0.000 1.933 -10.179) 10.361 11.280 ( 0.000 -0.102 -6.933) 6.934 11.280 ( 0.000 0.102 -6.933) 6.934 13.331 ( 0.000 -0.481 -6.391) 6.409 13.331 ( 0.000 0.481 -6.391) 6.409 13.461 ( 0.000 -2.947 -5.353) 6.111 13.461 ( 0.000 2.947 -5.353) 6.111 13.658 ( 0.000 -2.067 9.914) 10.127 13.658 ( 0.000 2.067 9.914) 10.127 14.028 ( 0.000 -0.104 6.791) 6.792 14.028 ( 0.000 0.104 6.791) 6.792 15.010 ( 0.000 -0.188 9.208) 9.210 15.010 ( 0.000 0.188 9.208) 9.210 15.489 ( 0.000 -1.788 0.748) 1.938 15.489 ( 0.000 1.788 0.748) 1.938 15.820 ( 0.000 -1.322 -1.358) 1.895 15.820 ( 0.000 1.322 -1.358) 1.895 16.013 ( 0.000 -3.434 -4.785) 5.890 16.013 ( 0.000 3.434 -4.785) 5.890 16.704 ( 0.000 -1.312 3.514) 3.750 16.704 ( 0.000 1.312 3.514) 3.750 16.960 ( 0.000 -8.447 1.234) 8.537 16.960 ( 0.000 8.447 1.234) 8.537 17.308 ( 0.000 -6.925 -2.636) 7.409 17.308 ( 0.000 6.925 -2.636) 7.409 17.466 ( 0.000 -3.070 -3.546) 4.690 17.466 ( 0.000 3.070 -3.546) 4.690 17.597 ( 0.000 -2.884 4.737) 5.546 17.597 ( 0.000 2.884 4.737) 5.546 17.800 ( 0.000 -0.526 3.003) 3.048 17.800 ( 0.000 0.526 3.003) 3.048 19.148 ( 0.000 -0.091 0.156) 0.181 19.148 ( 0.000 0.091 0.156) 0.181 19.302 ( 0.000 -2.079 -1.960) 2.857 19.302 ( 0.000 2.079 -1.960) 2.857 20.024 ( 0.000 -0.538 0.706) 0.888 20.024 ( 0.000 0.538 0.706) 0.888 20.077 ( 0.000 -0.322 0.767) 0.832 20.077 ( 0.000 0.322 0.767) 0.832 20.111 ( 0.000 -2.707 0.495) 2.752 20.111 ( 0.000 2.707 0.495) 2.752 20.401 ( 0.000 -5.083 -3.041) 5.924 20.401 ( 0.000 5.083 -3.041) 5.924 21.356 ( 0.000 -1.940 -1.594) 2.511 21.356 ( 0.000 1.940 -1.594) 2.511 21.453 ( 0.000 -0.476 -3.822) 3.851 21.453 ( 0.000 0.476 -3.822) 3.851 21.998 ( 0.000 -0.402 0.272) 0.485 21.998 ( 0.000 0.402 0.272) 0.485 22.002 ( 0.000 -0.151 0.615) 0.633 22.002 ( 0.000 0.151 0.615) 0.633 23.548 ( 0.000 -0.632 -0.612) 0.880 23.548 ( 0.000 0.632 -0.612) 0.880 23.652 ( 0.000 -0.506 -2.553) 2.603 23.652 ( 0.000 0.506 -2.553) 2.603 26.268 ( 0.000 -7.066 0.480) 7.083 26.268 ( 0.000 7.066 0.480) 7.083 26.388 ( 0.000 -6.540 -1.360) 6.680 26.388 ( 0.000 6.540 -1.360) 6.680 27.217 ( 0.000 -0.618 -1.870) 1.970 27.217 ( 0.000 0.618 -1.870) 1.970 27.241 ( 0.000 -1.342 2.387) 2.738 27.241 ( 0.000 1.342 2.387) 2.738 27.378 ( 0.000 -1.385 1.077) 1.754 27.378 ( 0.000 1.385 1.077) 1.754 27.506 ( 0.000 -0.115 -4.670) 4.671 27.506 ( 0.000 0.115 -4.670) 4.671 31.223 ( 0.000 -0.168 1.967) 1.974 31.223 ( 0.000 0.168 1.967) 1.974 31.321 ( 0.000 -0.352 -0.979) 1.040 31.321 ( 0.000 0.352 -0.979) 1.040 31.423 ( 0.000 -6.744 3.584) 7.637 31.423 ( 0.000 6.744 3.584) 7.637 31.855 ( 0.000 -6.838 -4.790) 8.349 31.855 ( 0.000 6.838 -4.790) 8.349 33.373 ( 0.000 -1.301 -0.602) 1.433 33.373 ( 0.000 1.301 -0.602) 1.433 33.476 ( 0.000 -0.207 -6.453) 6.456 33.476 ( 0.000 0.207 -6.453) 6.456 33.808 ( 0.000 -1.191 1.515) 1.927 33.808 ( 0.000 1.191 1.515) 1.927 34.138 ( 0.000 -0.910 -0.204) 0.933 34.138 ( 0.000 0.910 -0.204) 0.933 34.140 ( 0.000 -5.324 6.167) 8.147 34.140 ( 0.000 5.324 6.167) 8.147 34.390 ( 0.000 -2.642 8.157) 8.574 34.390 ( 0.000 2.642 8.157) 8.574 35.169 ( 0.000 -2.215 1.339) 2.588 35.169 ( 0.000 2.215 1.339) 2.588 35.680 ( 0.000 -2.720 -3.309) 4.283 35.680 ( 0.000 2.720 -3.309) 4.283 36.466 ( 0.000 -2.817 14.347) 14.621 36.466 ( 0.000 2.817 14.347) 14.621 36.561 ( 0.000 -1.042 9.822) 9.877 36.561 ( 0.000 1.042 9.822) 9.877 38.251 ( 0.000 -1.467 -7.268) 7.415 38.251 ( 0.000 1.467 -7.268) 7.415 38.285 ( 0.000 -0.082 -7.695) 7.695 38.285 ( 0.000 0.082 -7.695) 7.695 ======================= Grid point 37 (17/36) ======================= q-point: ( 0.20 -0.50 0.14) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 7.650 -17.818 8.755) 21.276 1.426 ( 7.650 17.818 8.755) 21.276 1.504 ( 9.535 -15.639 16.234) 24.476 1.504 ( 9.535 15.639 16.234) 24.476 2.019 ( 0.204 -2.065 3.399) 3.983 2.019 ( 0.204 2.065 3.399) 3.983 2.141 ( -2.596 -4.519 4.421) 6.834 2.141 ( -2.596 4.519 4.421) 6.834 2.300 ( 0.131 -3.428 5.567) 6.540 2.300 ( 0.131 3.428 5.567) 6.540 2.458 ( -2.550 -6.343 3.496) 7.679 2.458 ( -2.550 6.343 3.496) 7.679 2.608 ( 3.344 -11.005 7.155) 13.546 2.608 ( 3.344 11.005 7.155) 13.546 2.706 ( 1.615 -5.627 -2.051) 6.203 2.706 ( 1.615 5.627 -2.051) 6.203 2.852 ( -1.896 -20.812 8.529) 22.571 2.852 ( -1.896 20.812 8.529) 22.571 2.964 ( -4.500 -4.086 2.090) 6.428 2.964 ( -4.500 4.086 2.090) 6.428 3.115 ( -2.681 -2.648 -3.091) 4.874 3.115 ( -2.681 2.648 -3.091) 4.874 3.204 ( -0.530 -2.936 0.625) 3.048 3.204 ( -0.530 2.936 0.625) 3.048 3.258 ( -1.729 -4.220 -0.097) 4.561 3.258 ( -1.729 4.220 -0.097) 4.561 3.337 ( 0.318 -3.315 -3.928) 5.149 3.337 ( 0.318 3.315 -3.928) 5.149 3.495 ( 0.442 -6.036 1.793) 6.313 3.495 ( 0.442 6.036 1.793) 6.313 3.513 ( -0.756 -3.676 -0.658) 3.811 3.513 ( -0.756 3.676 -0.658) 3.811 3.623 ( 2.309 -3.597 1.309) 4.470 3.623 ( 2.309 3.597 1.309) 4.470 3.691 ( 1.923 -4.023 3.890) 5.918 3.691 ( 1.923 4.023 3.890) 5.918 3.719 ( 1.122 -4.234 4.580) 6.337 3.719 ( 1.122 4.234 4.580) 6.337 3.915 ( -1.509 -4.613 -2.932) 5.670 3.915 ( -1.509 4.613 -2.932) 5.670 4.030 ( 2.007 -3.496 -2.049) 4.522 4.030 ( 2.007 3.496 -2.049) 4.522 4.120 ( 3.195 -4.606 -0.274) 5.612 4.120 ( 3.195 4.606 -0.274) 5.612 4.264 ( -0.272 -1.964 3.602) 4.112 4.264 ( -0.272 1.964 3.602) 4.112 4.276 ( -1.572 -1.863 1.714) 2.980 4.276 ( -1.572 1.863 1.714) 2.980 4.599 ( 1.572 -2.688 -2.424) 3.946 4.599 ( 1.572 2.688 -2.424) 3.946 4.753 ( -3.427 -1.526 2.023) 4.263 4.753 ( -3.427 1.526 2.023) 4.263 4.889 ( -4.777 -8.446 1.844) 9.877 4.889 ( -4.777 8.446 1.844) 9.877 4.981 ( 4.304 -5.958 -0.460) 7.364 4.981 ( 4.304 5.958 -0.460) 7.364 5.159 ( -3.629 -6.768 0.396) 7.689 5.159 ( -3.629 6.768 0.396) 7.689 5.238 ( -2.640 -2.758 -3.003) 4.858 5.238 ( -2.640 2.758 -3.003) 4.858 5.341 ( 2.787 -0.406 -3.647) 4.607 5.341 ( 2.787 0.406 -3.647) 4.607 5.558 ( -0.020 -7.085 9.283) 11.678 5.558 ( -0.020 7.085 9.283) 11.678 5.634 ( 4.086 -7.383 14.063) 16.400 5.634 ( 4.086 7.383 14.063) 16.400 5.895 ( -0.573 -4.246 -0.258) 4.292 5.895 ( -0.573 4.246 -0.258) 4.292 6.069 ( 4.567 -2.764 2.609) 5.942 6.069 ( 4.567 2.764 2.609) 5.942 6.133 ( 1.334 -1.592 1.078) 2.340 6.133 ( 1.334 1.592 1.078) 2.340 6.229 ( 2.537 -5.933 5.264) 8.328 6.229 ( 2.537 5.933 5.264) 8.328 6.577 ( 2.090 -4.446 1.666) 5.188 6.577 ( 2.090 4.446 1.666) 5.188 6.698 ( 0.815 -14.238 -1.097) 14.304 6.698 ( 0.815 14.238 -1.097) 14.304 6.912 ( -2.055 -2.486 -5.675) 6.528 6.912 ( -2.055 2.486 -5.675) 6.528 6.995 ( -2.557 -1.641 -3.080) 4.326 6.995 ( -2.557 1.641 -3.080) 4.326 7.121 ( -1.453 -3.591 1.341) 4.100 7.121 ( -1.453 3.591 1.341) 4.100 7.300 ( 2.347 -6.144 -3.321) 7.368 7.300 ( 2.347 6.144 -3.321) 7.368 7.349 ( -0.674 -5.488 0.021) 5.529 7.349 ( -0.674 5.488 0.021) 5.529 7.453 ( -2.917 -7.323 0.853) 7.929 7.453 ( -2.917 7.323 0.853) 7.929 7.695 ( -1.148 -6.445 -2.562) 7.030 7.695 ( -1.148 6.445 -2.562) 7.030 7.921 ( -0.282 -4.058 -2.854) 4.969 7.921 ( -0.282 4.058 -2.854) 4.969 8.032 ( 2.148 -2.851 -2.170) 4.178 8.032 ( 2.148 2.851 -2.170) 4.178 8.331 ( -0.931 -7.187 -5.012) 8.811 8.331 ( -0.931 7.187 -5.012) 8.811 8.405 ( 6.549 -4.393 0.320) 7.893 8.405 ( 6.549 4.393 0.320) 7.893 8.591 ( 6.517 -4.303 1.076) 7.883 8.591 ( 6.517 4.303 1.076) 7.883 8.976 ( -3.196 -9.738 -1.694) 10.388 8.976 ( -3.196 9.738 -1.694) 10.388 9.180 ( -6.823 -3.494 -3.462) 8.411 9.180 ( -6.823 3.494 -3.462) 8.411 9.407 ( -1.525 -1.743 2.078) 3.112 9.407 ( -1.525 1.743 2.078) 3.112 9.632 ( -3.688 -4.200 -6.469) 8.549 9.632 ( -3.688 4.200 -6.469) 8.549 9.895 ( -4.392 -2.684 3.063) 5.990 9.895 ( -4.392 2.684 3.063) 5.990 10.020 ( 1.342 -0.825 -0.001) 1.576 10.020 ( 1.342 0.825 -0.001) 1.576 10.282 ( -6.427 -7.662 8.827) 13.338 10.282 ( -6.427 7.662 8.827) 13.338 10.997 ( -2.243 -3.526 -8.383) 9.367 10.997 ( -2.243 3.526 -8.383) 9.367 11.298 ( -0.026 -5.309 -8.235) 9.798 11.298 ( -0.026 5.309 -8.235) 9.798 13.328 ( 0.139 -2.826 -4.865) 5.628 13.328 ( 0.139 2.826 -4.865) 5.628 13.495 ( 2.149 -1.673 -3.763) 4.645 13.495 ( 2.149 1.673 -3.763) 4.645 13.619 ( -2.828 -1.183 8.100) 8.661 13.619 ( -2.828 1.183 8.100) 8.661 14.018 ( -0.555 -1.023 3.838) 4.010 14.018 ( -0.555 1.023 3.838) 4.010 15.032 ( 1.777 -0.180 9.987) 10.145 15.032 ( 1.777 0.180 9.987) 10.145 15.558 ( 6.288 -1.182 -0.227) 6.403 15.558 ( 6.288 1.182 -0.227) 6.403 15.855 ( 2.773 -1.983 -0.177) 3.413 15.855 ( 2.773 1.983 -0.177) 3.413 15.997 ( -2.059 -3.654 -4.303) 6.009 15.997 ( -2.059 3.654 -4.303) 6.009 16.696 ( -0.597 -1.720 2.787) 3.329 16.696 ( -0.597 1.720 2.787) 3.329 16.940 ( -1.743 -8.118 1.257) 8.398 16.940 ( -1.743 8.118 1.257) 8.398 17.309 ( -2.053 -2.948 -3.496) 5.012 17.309 ( -2.053 2.948 -3.496) 5.012 17.434 ( -0.236 -5.969 -4.314) 7.368 17.434 ( -0.236 5.969 -4.314) 7.368 17.629 ( 2.225 -1.607 5.748) 6.369 17.629 ( 2.225 1.607 5.748) 6.369 17.781 ( -1.643 -0.258 3.909) 4.248 17.781 ( -1.643 0.258 3.909) 4.248 19.144 ( -0.296 -0.223 0.260) 0.453 19.144 ( -0.296 0.223 0.260) 0.453 19.304 ( 0.022 -3.537 -1.852) 3.992 19.304 ( 0.022 3.537 -1.852) 3.992 20.023 ( -0.081 -0.448 0.772) 0.896 20.023 ( -0.081 0.448 0.772) 0.896 20.077 ( -0.043 -0.465 0.632) 0.786 20.077 ( -0.043 0.465 0.632) 0.786 20.131 ( 1.613 -1.012 0.245) 1.920 20.131 ( 1.613 1.012 0.245) 1.920 20.392 ( -0.699 -3.227 -2.477) 4.128 20.392 ( -0.699 3.227 -2.477) 4.128 21.361 ( 0.307 -1.480 -1.823) 2.368 21.361 ( 0.307 1.480 -1.823) 2.368 21.428 ( -1.880 -0.812 -3.007) 3.638 21.428 ( -1.880 0.812 -3.007) 3.638 21.997 ( -0.130 -0.349 0.323) 0.493 21.997 ( -0.130 0.349 0.323) 0.493 22.001 ( -0.075 -0.206 0.466) 0.515 22.001 ( -0.075 0.206 0.466) 0.515 23.553 ( 0.436 -0.613 -0.593) 0.958 23.553 ( 0.436 0.613 -0.593) 0.958 23.641 ( -0.759 -0.160 -1.959) 2.107 23.641 ( -0.759 0.160 -1.959) 2.107 26.269 ( 0.053 -8.803 0.384) 8.811 26.269 ( 0.053 8.803 0.384) 8.811 26.378 ( -0.767 -7.250 -1.461) 7.435 26.378 ( -0.767 7.250 -1.461) 7.435 27.214 ( 0.433 -0.576 -1.308) 1.493 27.214 ( 0.433 0.576 -1.308) 1.493 27.262 ( 1.181 -1.121 1.158) 1.998 27.262 ( 1.181 1.121 1.158) 1.998 27.383 ( 0.430 -1.125 1.118) 1.643 27.383 ( 0.430 1.125 1.118) 1.643 27.491 ( -1.293 -0.244 -4.467) 4.657 27.491 ( -1.293 0.244 -4.467) 4.657 31.218 ( -0.316 -0.257 1.288) 1.351 31.218 ( -0.316 0.257 1.288) 1.351 31.319 ( -0.222 -0.328 -0.889) 0.973 31.319 ( -0.222 0.328 -0.889) 0.973 31.433 ( 0.848 -7.119 3.622) 8.033 31.433 ( 0.848 7.119 3.622) 8.033 31.786 ( -4.818 -8.453 -2.744) 10.109 31.786 ( -4.818 8.453 -2.744) 10.109 33.416 ( 2.867 -0.727 -0.827) 3.071 33.416 ( 2.867 0.727 -0.827) 3.071 33.565 ( 6.960 -1.873 -6.371) 9.620 33.565 ( 6.960 1.873 -6.371) 9.620 33.800 ( -0.627 -0.837 0.369) 1.109 33.800 ( -0.627 0.837 0.369) 1.109 34.117 ( -1.926 -1.531 0.397) 2.492 34.117 ( -1.926 1.531 0.397) 2.492 34.131 ( -0.693 -3.966 4.834) 6.291 34.131 ( -0.693 3.966 4.834) 6.291 34.369 ( -1.568 -1.016 6.500) 6.763 34.369 ( -1.568 1.016 6.500) 6.763 35.183 ( 1.203 -2.566 1.888) 3.405 35.183 ( 1.203 2.566 1.888) 3.405 35.831 ( 11.064 -11.555 -7.192) 17.540 35.831 ( 11.064 11.555 -7.192) 17.540 36.479 ( 1.245 -4.173 14.311) 14.958 36.479 ( 1.245 4.173 14.311) 14.958 36.569 ( 0.700 -1.519 10.229) 10.365 36.569 ( 0.700 1.519 10.229) 10.365 38.152 ( -4.632 -2.230 -5.745) 7.709 38.152 ( -4.632 2.230 -5.745) 7.709 38.378 ( 4.194 -1.612 -9.087) 10.137 38.378 ( 4.194 1.612 -9.087) 10.137 ======================= Grid point 39 (18/36) ======================= q-point: ( 0.40 -0.50 0.14) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 10.564 -9.469 5.785) 15.321 1.655 ( 10.564 9.469 5.785) 15.321 1.750 ( 13.058 -8.021 10.200) 18.409 1.750 ( 13.058 8.021 10.200) 18.409 2.036 ( -4.459 -3.570 6.783) 8.868 2.036 ( -4.459 3.570 6.783) 8.868 2.068 ( 0.529 -2.542 1.963) 3.255 2.068 ( 0.529 2.542 1.963) 3.255 2.253 ( -4.416 -0.973 5.187) 6.882 2.253 ( -4.416 0.973 5.187) 6.882 2.326 ( -9.233 -7.865 3.321) 12.575 2.326 ( -9.233 7.865 3.321) 12.575 2.513 ( -3.273 -2.398 8.328) 9.264 2.513 ( -3.273 2.398 8.328) 9.264 2.720 ( 0.548 -3.274 -2.875) 4.392 2.720 ( 0.548 3.274 -2.875) 4.392 2.824 ( -2.997 -1.753 0.237) 3.480 2.824 ( -2.997 1.753 0.237) 3.480 3.050 ( 1.882 -7.216 -1.572) 7.622 3.050 ( 1.882 7.216 -1.572) 7.622 3.111 ( 4.242 -4.903 0.035) 6.483 3.111 ( 4.242 4.903 0.035) 6.483 3.176 ( -2.111 -1.124 -2.221) 3.264 3.176 ( -2.111 1.124 -2.221) 3.264 3.235 ( 2.026 -2.067 1.301) 3.174 3.235 ( 2.026 2.067 1.301) 3.174 3.366 ( 2.151 -6.347 2.414) 7.124 3.366 ( 2.151 6.347 2.414) 7.124 3.443 ( -2.733 -6.019 -1.895) 6.877 3.443 ( -2.733 6.019 -1.895) 6.877 3.515 ( 0.012 -3.137 2.864) 4.248 3.515 ( 0.012 3.137 2.864) 4.248 3.679 ( 4.139 -2.443 0.068) 4.807 3.679 ( 4.139 2.443 0.068) 4.807 3.726 ( 0.746 -4.104 4.864) 6.408 3.726 ( 0.746 4.104 4.864) 6.408 3.779 ( 2.151 -3.144 2.569) 4.595 3.779 ( 2.151 3.144 2.569) 4.595 3.894 ( -0.309 -4.707 -1.881) 5.079 3.894 ( -0.309 4.707 -1.881) 5.079 4.065 ( -0.736 -2.604 -2.600) 3.753 4.065 ( -0.736 2.604 -2.600) 3.753 4.138 ( -4.133 -2.623 2.799) 5.639 4.138 ( -4.133 2.623 2.799) 5.639 4.197 ( -0.421 -1.920 2.162) 2.922 4.197 ( -0.421 1.920 2.162) 2.922 4.272 ( 0.754 -0.293 4.956) 5.021 4.272 ( 0.754 0.293 4.956) 5.021 4.616 ( -0.188 -3.032 -3.065) 4.316 4.616 ( -0.188 3.032 -3.065) 4.316 4.709 ( -0.785 -2.649 -0.159) 2.767 4.709 ( -0.785 2.649 -0.159) 2.767 4.846 ( 0.719 -4.750 1.505) 5.035 4.846 ( 0.719 4.750 1.505) 5.035 5.001 ( -3.237 -7.347 -0.362) 8.037 5.001 ( -3.237 7.347 -0.362) 8.037 5.081 ( -0.863 -4.491 2.830) 5.379 5.081 ( -0.863 4.491 2.830) 5.379 5.193 ( -1.145 -2.370 -1.771) 3.173 5.193 ( -1.145 2.370 -1.771) 3.173 5.389 ( 1.058 -1.789 -2.020) 2.899 5.389 ( 1.058 1.789 -2.020) 2.899 5.577 ( 1.252 -7.442 8.243) 11.176 5.577 ( 1.252 7.442 8.243) 11.176 5.721 ( 3.416 -5.588 12.544) 14.151 5.721 ( 3.416 5.588 12.544) 14.151 5.887 ( -0.502 -2.878 1.034) 3.099 5.887 ( -0.502 2.878 1.034) 3.099 6.048 ( -2.132 -1.371 6.789) 7.247 6.048 ( -2.132 1.371 6.789) 7.247 6.160 ( -0.568 -1.719 4.085) 4.468 6.160 ( -0.568 1.719 4.085) 4.468 6.406 ( 10.754 -4.845 -1.266) 11.863 6.406 ( 10.754 4.845 -1.266) 11.863 6.609 ( -0.077 -1.979 1.008) 2.222 6.609 ( -0.077 1.979 1.008) 2.222 6.714 ( 0.045 -6.737 -0.819) 6.787 6.714 ( 0.045 6.737 -0.819) 6.787 6.866 ( -1.839 -6.208 -1.723) 6.700 6.866 ( -1.839 6.208 -1.723) 6.700 6.927 ( -1.951 -1.199 -2.685) 3.529 6.927 ( -1.951 1.199 -2.685) 3.529 7.085 ( -2.177 -4.069 -2.499) 5.248 7.085 ( -2.177 4.069 -2.499) 5.248 7.274 ( -2.083 -8.854 -0.328) 9.101 7.274 ( -2.083 8.854 -0.328) 9.101 7.411 ( 3.952 -6.175 -2.749) 7.830 7.411 ( 3.952 6.175 -2.749) 7.830 7.478 ( 2.508 -11.273 1.239) 11.615 7.478 ( 2.508 11.273 1.239) 11.615 7.649 ( -2.482 -4.361 -4.981) 7.071 7.649 ( -2.482 4.361 -4.981) 7.071 7.886 ( -1.798 -3.764 -2.121) 4.680 7.886 ( -1.798 3.764 -2.121) 4.680 8.057 ( 0.970 -2.113 1.224) 2.628 8.057 ( 0.970 2.113 1.224) 2.628 8.347 ( 1.402 -3.434 -6.227) 7.249 8.347 ( 1.402 3.434 -6.227) 7.249 8.506 ( 1.493 -6.359 2.603) 7.032 8.506 ( 1.493 6.359 2.603) 7.032 8.741 ( 6.989 -4.750 1.255) 8.543 8.741 ( 6.989 4.750 1.255) 8.543 8.892 ( -4.651 -10.569 -1.424) 11.635 8.892 ( -4.651 10.569 -1.424) 11.635 9.040 ( -3.826 -2.448 -5.628) 7.233 9.040 ( -3.826 2.448 -5.628) 7.233 9.390 ( -1.273 -4.813 3.342) 5.996 9.390 ( -1.273 4.813 3.342) 5.996 9.514 ( -4.408 -3.074 -5.619) 7.775 9.514 ( -4.408 3.074 -5.619) 7.775 9.833 ( -1.544 -1.686 2.067) 3.082 9.833 ( -1.544 1.686 2.067) 3.082 10.028 ( -0.720 -6.306 6.324) 8.960 10.028 ( -0.720 6.306 6.324) 8.960 10.196 ( -1.127 -6.948 3.256) 7.755 10.196 ( -1.127 6.948 3.256) 7.755 10.980 ( 0.022 -9.273 -8.845) 12.815 10.980 ( 0.022 9.273 -8.845) 12.815 11.273 ( -1.394 -7.020 -8.683) 11.252 11.273 ( -1.394 7.020 -8.683) 11.252 13.339 ( 0.584 -4.747 -3.219) 5.765 13.339 ( 0.584 4.747 -3.219) 5.765 13.508 ( -0.721 -1.591 5.099) 5.390 13.508 ( -0.721 1.591 5.099) 5.390 13.588 ( -0.067 -1.686 -0.553) 1.776 13.588 ( -0.067 1.686 -0.553) 1.776 14.014 ( 0.022 -2.066 -0.281) 2.085 14.014 ( 0.022 2.066 -0.281) 2.085 15.064 ( 0.958 -0.695 11.046) 11.109 15.064 ( 0.958 0.695 11.046) 11.109 15.722 ( 8.741 -1.611 -1.445) 9.005 15.722 ( 8.741 1.611 -1.445) 9.005 15.889 ( -3.196 -2.535 -1.833) 4.472 15.889 ( -3.196 2.535 -1.833) 4.472 15.925 ( -1.753 -1.576 -0.260) 2.372 15.925 ( -1.753 1.576 -0.260) 2.372 16.688 ( -0.156 -1.946 1.374) 2.388 16.688 ( -0.156 1.946 1.374) 2.388 16.906 ( -1.057 -7.922 1.960) 8.229 16.906 ( -1.057 7.922 1.960) 8.229 17.235 ( -2.924 -0.870 -5.229) 6.054 17.235 ( -2.924 0.870 -5.229) 6.054 17.465 ( 1.472 -6.641 -4.803) 8.327 17.465 ( 1.472 6.641 -4.803) 8.327 17.666 ( 1.000 -0.675 6.278) 6.393 17.666 ( 1.000 0.675 6.278) 6.393 17.750 ( -0.967 -0.622 5.858) 5.970 17.750 ( -0.967 0.622 5.858) 5.970 19.139 ( -0.122 -0.318 0.370) 0.503 19.139 ( -0.122 0.318 0.370) 0.503 19.302 ( -0.091 -4.420 -1.656) 4.721 19.302 ( -0.091 4.420 -1.656) 4.721 20.022 ( -0.054 -0.410 0.861) 0.955 20.022 ( -0.054 0.410 0.861) 0.955 20.076 ( -0.008 -0.580 0.448) 0.733 20.076 ( -0.008 0.580 0.448) 0.733 20.160 ( 0.846 -3.585 -0.158) 3.687 20.160 ( 0.846 3.585 -0.158) 3.687 20.382 ( -0.236 -0.990 -1.770) 2.042 20.382 ( -0.236 0.990 -1.770) 2.042 21.362 ( -0.199 -0.054 -2.039) 2.049 21.362 ( -0.199 0.054 -2.039) 2.049 21.399 ( -0.637 -0.521 -2.150) 2.303 21.399 ( -0.637 0.521 -2.150) 2.303 21.994 ( -0.072 -0.360 0.333) 0.496 21.994 ( -0.072 0.360 0.333) 0.496 21.999 ( -0.032 -0.294 0.325) 0.439 21.999 ( -0.032 0.294 0.325) 0.439 23.562 ( 0.312 -0.543 -0.604) 0.870 23.562 ( 0.312 0.543 -0.604) 0.870 23.629 ( -0.323 -0.393 -1.371) 1.462 23.629 ( -0.323 0.393 -1.371) 1.462 26.269 ( -0.002 -10.993 0.177) 10.994 26.269 ( -0.002 10.993 0.177) 10.994 26.364 ( -0.429 -8.277 -1.574) 8.437 26.364 ( -0.429 8.277 -1.574) 8.437 27.232 ( 0.834 -0.268 -0.177) 0.893 27.232 ( 0.834 0.268 -0.177) 0.893 27.276 ( 0.204 -1.551 -1.260) 2.009 27.276 ( 0.204 1.551 -1.260) 2.009 27.396 ( 0.679 -0.249 1.416) 1.590 27.396 ( 0.679 0.249 1.416) 1.590 27.463 ( -1.115 -1.023 -4.072) 4.344 27.463 ( -1.115 1.023 -4.072) 4.344 31.214 ( -0.071 -0.160 0.403) 0.440 31.214 ( -0.071 0.160 0.403) 0.440 31.314 ( -0.167 -0.869 -0.679) 1.116 31.314 ( -0.167 0.869 -0.679) 1.116 31.448 ( 0.437 -7.735 3.568) 8.530 31.448 ( 0.437 7.735 3.568) 8.530 31.711 ( -1.930 -8.909 -1.196) 9.194 31.711 ( -1.930 8.909 -1.196) 9.194 33.469 ( 1.731 -0.704 -0.658) 1.981 33.469 ( 1.731 0.704 -0.658) 1.981 33.670 ( 2.211 -1.556 -2.707) 3.826 33.670 ( 2.211 1.556 -2.707) 3.826 33.798 ( 0.592 -0.058 -2.974) 3.033 33.798 ( 0.592 0.058 -2.974) 3.033 34.074 ( -1.612 -0.997 -1.278) 2.286 34.074 ( -1.612 0.997 -1.278) 2.286 34.118 ( -0.396 -4.419 5.232) 6.860 34.118 ( -0.396 4.419 5.232) 6.860 34.343 ( -0.708 -0.366 4.664) 4.732 34.343 ( -0.708 0.366 4.664) 4.732 35.206 ( 0.733 -3.085 2.454) 4.010 35.206 ( 0.733 3.085 2.454) 4.010 36.004 ( 4.381 -14.227 -10.590) 18.269 36.004 ( 4.381 14.227 -10.590) 18.269 36.505 ( 0.832 -6.177 13.186) 14.585 36.505 ( 0.832 6.177 13.186) 14.585 36.586 ( 0.664 -3.237 11.203) 11.681 36.586 ( 0.664 3.237 11.203) 11.681 38.087 ( -1.599 -2.739 -4.931) 5.863 38.087 ( -1.599 2.739 -4.931) 5.863 38.436 ( 1.393 -2.396 -9.746) 10.133 38.436 ( 1.393 2.396 -9.746) 10.133 ======================= Grid point 50 (19/36) ======================= q-point: ( 0.00 0.00 0.29) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.000 0.000 28.283) 28.283 1.156 ( 0.000 0.000 29.678) 29.678 1.914 ( 0.000 0.000 7.043) 7.043 2.061 ( 0.000 0.000 3.583) 3.583 2.119 ( 0.000 0.000 9.645) 9.645 2.119 ( 0.000 0.000 19.459) 19.459 2.221 ( 0.000 0.000 6.559) 6.559 2.269 ( 0.000 0.000 27.945) 27.945 2.346 ( 0.000 0.000 7.065) 7.065 2.459 ( 0.000 0.000 -1.751) 1.751 2.550 ( 0.000 0.000 4.213) 4.213 2.582 ( 0.000 0.000 5.441) 5.441 2.591 ( 0.000 0.000 2.906) 2.906 2.677 ( 0.000 0.000 -7.477) 7.477 2.767 ( 0.000 0.000 6.735) 6.735 2.836 ( 0.000 0.000 2.987) 2.987 2.893 ( 0.000 0.000 4.824) 4.824 2.900 ( 0.000 0.000 3.632) 3.632 2.923 ( 0.000 0.000 0.505) 0.505 2.926 ( 0.000 0.000 -0.761) 0.761 3.080 ( 0.000 0.000 0.693) 0.693 3.181 ( 0.000 0.000 2.125) 2.125 3.185 ( 0.000 0.000 -2.036) 2.036 3.292 ( 0.000 0.000 0.663) 0.663 3.322 ( 0.000 0.000 -5.891) 5.891 3.335 ( 0.000 0.000 -12.733) 12.733 3.375 ( 0.000 0.000 2.487) 2.487 3.404 ( 0.000 0.000 1.025) 1.025 3.435 ( 0.000 0.000 -5.836) 5.836 3.502 ( 0.000 0.000 3.320) 3.320 3.562 ( 0.000 0.000 0.757) 0.757 3.599 ( 0.000 0.000 2.897) 2.897 3.656 ( 0.000 0.000 -2.710) 2.710 3.695 ( 0.000 0.000 4.298) 4.298 3.695 ( 0.000 0.000 3.209) 3.209 3.722 ( 0.000 0.000 -2.622) 2.622 3.770 ( 0.000 0.000 3.614) 3.614 3.802 ( 0.000 0.000 5.135) 5.135 3.818 ( 0.000 0.000 -0.991) 0.991 3.950 ( 0.000 0.000 -3.876) 3.876 3.994 ( 0.000 0.000 4.486) 4.486 3.999 ( 0.000 0.000 2.769) 2.769 4.086 ( 0.000 0.000 9.524) 9.524 4.154 ( 0.000 0.000 -9.078) 9.078 4.272 ( 0.000 0.000 -4.877) 4.877 4.366 ( 0.000 0.000 3.551) 3.551 4.379 ( 0.000 0.000 3.423) 3.423 4.506 ( 0.000 0.000 -6.490) 6.490 4.569 ( 0.000 0.000 -7.137) 7.137 4.629 ( 0.000 0.000 -0.575) 0.575 4.658 ( 0.000 0.000 3.033) 3.033 4.723 ( 0.000 0.000 5.947) 5.947 4.825 ( 0.000 0.000 10.432) 10.432 4.897 ( 0.000 0.000 3.621) 3.621 4.919 ( 0.000 0.000 -4.303) 4.303 5.116 ( 0.000 0.000 9.563) 9.563 5.143 ( 0.000 0.000 -3.247) 3.247 5.154 ( 0.000 0.000 -0.125) 0.125 5.171 ( 0.000 0.000 -0.827) 0.827 5.212 ( 0.000 0.000 -5.679) 5.679 5.278 ( 0.000 0.000 12.206) 12.206 5.320 ( 0.000 0.000 -4.657) 4.657 5.589 ( 0.000 0.000 17.103) 17.103 5.593 ( 0.000 0.000 3.018) 3.018 5.766 ( 0.000 0.000 1.115) 1.115 5.817 ( 0.000 0.000 7.570) 7.570 5.852 ( 0.000 0.000 -1.316) 1.316 5.913 ( 0.000 0.000 4.092) 4.092 6.037 ( 0.000 0.000 1.632) 1.632 6.056 ( 0.000 0.000 -3.470) 3.470 6.209 ( 0.000 0.000 5.692) 5.692 6.262 ( 0.000 0.000 2.110) 2.110 6.269 ( 0.000 0.000 8.641) 8.641 6.358 ( 0.000 0.000 -1.195) 1.195 6.528 ( 0.000 0.000 2.621) 2.621 6.566 ( 0.000 0.000 -7.711) 7.711 6.764 ( 0.000 0.000 -9.659) 9.659 6.774 ( 0.000 0.000 -6.283) 6.283 6.917 ( 0.000 0.000 0.733) 0.733 6.970 ( 0.000 0.000 -4.968) 4.968 6.972 ( 0.000 0.000 6.110) 6.110 7.071 ( 0.000 0.000 -2.446) 2.446 7.123 ( 0.000 0.000 2.367) 2.367 7.223 ( 0.000 0.000 2.230) 2.230 7.267 ( 0.000 0.000 -4.925) 4.925 7.312 ( 0.000 0.000 -1.265) 1.265 7.335 ( 0.000 0.000 1.476) 1.476 7.403 ( 0.000 0.000 1.569) 1.569 7.423 ( 0.000 0.000 -2.638) 2.638 7.548 ( 0.000 0.000 -1.052) 1.052 7.619 ( 0.000 0.000 -3.305) 3.305 7.626 ( 0.000 0.000 5.241) 5.241 7.680 ( 0.000 0.000 -8.188) 8.188 7.742 ( 0.000 0.000 5.563) 5.563 7.930 ( 0.000 0.000 -3.542) 3.542 7.991 ( 0.000 0.000 -14.154) 14.154 8.084 ( 0.000 0.000 -7.147) 7.147 8.148 ( 0.000 0.000 -4.612) 4.612 8.327 ( 0.000 0.000 -2.721) 2.721 8.396 ( 0.000 0.000 1.911) 1.911 8.533 ( 0.000 0.000 -2.477) 2.477 8.912 ( 0.000 0.000 -4.376) 4.376 8.923 ( 0.000 0.000 -10.334) 10.334 8.949 ( 0.000 0.000 6.511) 6.511 9.084 ( 0.000 0.000 9.343) 9.343 9.238 ( 0.000 0.000 -1.429) 1.429 9.304 ( 0.000 0.000 -4.860) 4.860 9.451 ( 0.000 0.000 0.796) 0.796 9.563 ( 0.000 0.000 0.096) 0.096 9.627 ( 0.000 0.000 1.727) 1.727 9.790 ( 0.000 0.000 -1.821) 1.821 9.889 ( 0.000 0.000 1.015) 1.015 9.985 ( 0.000 0.000 1.705) 1.705 10.140 ( 0.000 0.000 4.200) 4.200 10.452 ( 0.000 0.000 -16.392) 16.392 10.510 ( 0.000 0.000 -0.792) 0.792 10.824 ( 0.000 0.000 7.386) 7.386 10.840 ( 0.000 0.000 -2.256) 2.256 11.097 ( 0.000 0.000 -0.342) 0.342 11.218 ( 0.000 0.000 -4.172) 4.172 13.226 ( 0.000 0.000 -4.598) 4.598 13.232 ( 0.000 0.000 -2.237) 2.237 13.289 ( 0.000 0.000 -5.411) 5.411 13.405 ( 0.000 0.000 -7.610) 7.610 13.783 ( 0.000 0.000 10.367) 10.367 13.932 ( 0.000 0.000 11.666) 11.666 14.144 ( 0.000 0.000 4.538) 4.538 14.174 ( 0.000 0.000 -3.108) 3.108 15.196 ( 0.000 0.000 10.645) 10.645 15.237 ( 0.000 0.000 10.172) 10.172 15.593 ( 0.000 0.000 2.841) 2.841 15.602 ( 0.000 0.000 8.620) 8.620 15.691 ( 0.000 0.000 -7.929) 7.929 15.712 ( 0.000 0.000 -5.169) 5.169 15.950 ( 0.000 0.000 -1.259) 1.259 15.964 ( 0.000 0.000 -9.375) 9.375 16.676 ( 0.000 0.000 3.729) 3.729 16.815 ( 0.000 0.000 3.288) 3.288 16.819 ( 0.000 0.000 6.281) 6.281 17.062 ( 0.000 0.000 -0.699) 0.699 17.146 ( 0.000 0.000 0.448) 0.448 17.343 ( 0.000 0.000 -5.675) 5.675 17.346 ( 0.000 0.000 -4.422) 4.422 17.492 ( 0.000 0.000 -3.568) 3.568 17.638 ( 0.000 0.000 5.341) 5.341 17.827 ( 0.000 0.000 -0.103) 0.103 17.846 ( 0.000 0.000 6.161) 6.161 17.913 ( 0.000 0.000 5.536) 5.536 19.145 ( 0.000 0.000 -0.159) 0.159 19.163 ( 0.000 0.000 -0.591) 0.591 19.167 ( 0.000 0.000 1.289) 1.289 19.301 ( 0.000 0.000 -2.721) 2.721 20.015 ( 0.000 0.000 0.694) 0.694 20.061 ( 0.000 0.000 1.478) 1.478 20.062 ( 0.000 0.000 0.533) 0.533 20.071 ( 0.000 0.000 0.281) 0.281 20.095 ( 0.000 0.000 0.267) 0.267 20.209 ( 0.000 0.000 2.504) 2.504 20.210 ( 0.000 0.000 -4.151) 4.151 20.423 ( 0.000 0.000 -3.128) 3.128 21.287 ( 0.000 0.000 -0.705) 0.705 21.358 ( 0.000 0.000 -2.951) 2.951 21.362 ( 0.000 0.000 -2.636) 2.636 21.371 ( 0.000 0.000 -2.780) 2.780 21.998 ( 0.000 0.000 0.604) 0.604 22.013 ( 0.000 0.000 0.231) 0.231 22.014 ( 0.000 0.000 0.222) 0.222 22.024 ( 0.000 0.000 -0.189) 0.189 23.532 ( 0.000 0.000 -0.266) 0.266 23.561 ( 0.000 0.000 -0.595) 0.595 23.578 ( 0.000 0.000 -1.656) 1.656 23.590 ( 0.000 0.000 -1.857) 1.857 26.113 ( 0.000 0.000 1.245) 1.245 26.198 ( 0.000 0.000 -1.565) 1.565 26.462 ( 0.000 0.000 0.634) 0.634 26.535 ( 0.000 0.000 -1.649) 1.649 27.134 ( 0.000 0.000 -1.116) 1.116 27.201 ( 0.000 0.000 -1.450) 1.450 27.277 ( 0.000 0.000 0.818) 0.818 27.330 ( 0.000 0.000 2.768) 2.768 27.337 ( 0.000 0.000 -2.492) 2.492 27.395 ( 0.000 0.000 -4.961) 4.961 27.417 ( 0.000 0.000 -2.463) 2.463 27.421 ( 0.000 0.000 0.466) 0.466 31.199 ( 0.000 0.000 2.102) 2.102 31.254 ( 0.000 0.000 0.247) 0.247 31.279 ( 0.000 0.000 -0.285) 0.285 31.343 ( 0.000 0.000 -2.135) 2.135 31.410 ( 0.000 0.000 1.365) 1.365 31.461 ( 0.000 0.000 -0.160) 0.160 31.696 ( 0.000 0.000 4.491) 4.491 31.951 ( 0.000 0.000 -3.765) 3.765 33.323 ( 0.000 0.000 -0.791) 0.791 33.376 ( 0.000 0.000 -3.590) 3.590 33.392 ( 0.000 0.000 -0.242) 0.242 33.395 ( 0.000 0.000 -0.409) 0.409 33.826 ( 0.000 0.000 3.459) 3.459 33.880 ( 0.000 0.000 3.057) 3.057 34.063 ( 0.000 0.000 -3.170) 3.170 34.109 ( 0.000 0.000 -3.267) 3.267 34.157 ( 0.000 0.000 5.335) 5.335 34.384 ( 0.000 0.000 -0.009) 0.009 34.402 ( 0.000 0.000 4.309) 4.309 34.730 ( 0.000 0.000 -6.806) 6.806 35.225 ( 0.000 0.000 8.167) 8.167 35.338 ( 0.000 0.000 3.873) 3.873 35.469 ( 0.000 0.000 -0.968) 0.968 35.662 ( 0.000 0.000 -4.769) 4.769 36.673 ( 0.000 0.000 14.604) 14.604 36.755 ( 0.000 0.000 13.070) 13.070 36.806 ( 0.000 0.000 14.840) 14.840 37.113 ( 0.000 0.000 8.182) 8.182 37.949 ( 0.000 0.000 -6.145) 6.145 38.084 ( 0.000 0.000 -12.942) 12.942 38.111 ( 0.000 0.000 -10.870) 10.870 38.121 ( 0.000 0.000 -10.481) 10.481 ======================= Grid point 51 (20/36) ======================= q-point: ( 0.20 0.00 0.29) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 15.371 0.000 22.411) 27.176 1.338 ( 16.184 0.000 22.845) 27.997 1.945 ( 2.271 0.000 4.147) 4.728 2.014 ( -3.972 0.000 2.810) 4.866 2.073 ( -2.301 0.000 8.657) 8.958 2.142 ( 1.306 0.000 8.484) 8.584 2.229 ( -0.512 0.000 8.635) 8.650 2.337 ( -2.048 0.000 8.306) 8.555 2.409 ( -3.986 0.000 2.138) 4.523 2.462 ( 14.524 0.000 24.594) 28.562 2.487 ( -4.056 0.000 5.177) 6.577 2.595 ( 0.272 0.000 1.391) 1.417 2.637 ( 2.574 0.000 9.287) 9.637 2.640 ( -7.097 0.000 4.412) 8.356 2.655 ( -1.654 0.000 -7.658) 7.835 2.767 ( -5.087 0.000 7.531) 9.088 2.791 ( -2.394 0.000 3.738) 4.439 2.869 ( -0.517 0.000 4.431) 4.461 2.929 ( -0.452 0.000 -0.182) 0.488 3.071 ( 0.322 0.000 0.360) 0.483 3.103 ( -5.634 0.000 -2.868) 6.322 3.144 ( 7.879 0.000 0.098) 7.880 3.191 ( -3.569 0.000 -8.148) 8.896 3.228 ( -9.050 0.000 0.612) 9.070 3.269 ( 1.555 0.000 -1.590) 2.224 3.286 ( -7.291 0.000 0.338) 7.299 3.299 ( -3.816 0.000 -2.793) 4.729 3.379 ( -5.229 0.000 -0.845) 5.297 3.384 ( -0.655 0.000 -0.202) 0.686 3.465 ( -2.636 0.000 -0.546) 2.692 3.570 ( 5.385 0.000 -1.766) 5.667 3.583 ( 0.956 0.000 0.454) 1.058 3.636 ( -2.210 0.000 0.602) 2.291 3.669 ( 1.263 0.000 3.560) 3.777 3.709 ( -0.386 0.000 -3.443) 3.465 3.771 ( 0.265 0.000 0.223) 0.346 3.803 ( 2.388 0.000 -1.097) 2.628 3.829 ( 2.420 0.000 4.691) 5.278 3.881 ( 3.748 0.000 1.452) 4.019 3.975 ( -0.661 0.000 4.846) 4.891 3.995 ( 4.310 0.000 1.717) 4.639 4.084 ( 5.320 0.000 6.008) 8.025 4.089 ( -0.637 0.000 -2.029) 2.127 4.227 ( 6.216 0.000 -0.127) 6.217 4.256 ( -1.876 0.000 -4.382) 4.767 4.377 ( 0.173 0.000 3.779) 3.783 4.393 ( -0.388 0.000 4.113) 4.131 4.516 ( -9.016 0.000 0.835) 9.055 4.549 ( 1.996 0.000 -6.977) 7.257 4.583 ( 2.999 0.000 -5.666) 6.411 4.640 ( 0.096 0.000 1.679) 1.682 4.712 ( -1.875 0.000 4.149) 4.553 4.809 ( -0.842 0.000 9.199) 9.237 4.882 ( -1.994 0.000 -4.501) 4.923 4.895 ( -2.057 0.000 1.213) 2.388 5.043 ( -5.320 0.000 -2.756) 5.991 5.156 ( -0.798 0.000 -1.314) 1.537 5.156 ( -1.012 0.000 -1.205) 1.573 5.204 ( -0.109 0.000 -4.958) 4.959 5.253 ( 6.091 0.000 11.231) 12.776 5.290 ( 1.793 0.000 11.588) 11.726 5.340 ( 1.560 0.000 -4.934) 5.175 5.592 ( -0.161 0.000 5.320) 5.323 5.595 ( 1.245 0.000 16.628) 16.675 5.785 ( 2.741 0.000 2.251) 3.547 5.850 ( 2.515 0.000 8.040) 8.424 5.900 ( 4.202 0.000 -0.410) 4.222 5.992 ( 5.062 0.000 3.928) 6.407 6.044 ( 1.750 0.000 2.818) 3.317 6.071 ( 0.846 0.000 -1.063) 1.358 6.253 ( 4.583 0.000 7.728) 8.985 6.324 ( 4.613 0.000 9.106) 10.207 6.349 ( 6.331 0.000 3.151) 7.072 6.437 ( 7.262 0.000 -5.570) 9.152 6.533 ( 1.201 0.000 -1.342) 1.801 6.587 ( 1.523 0.000 -3.468) 3.788 6.751 ( -0.962 0.000 -6.552) 6.622 6.760 ( -1.941 0.000 -6.262) 6.556 6.868 ( -4.621 0.000 1.708) 4.927 6.926 ( -11.881 0.000 6.163) 13.385 6.967 ( -0.740 0.000 5.314) 5.365 6.968 ( -3.871 0.000 -3.013) 4.905 7.093 ( -2.769 0.000 3.463) 4.434 7.181 ( -3.829 0.000 -1.876) 4.264 7.228 ( 0.950 0.000 -0.559) 1.102 7.292 ( -1.067 0.000 -2.120) 2.373 7.305 ( -3.126 0.000 4.976) 5.877 7.372 ( 0.230 0.000 2.957) 2.966 7.446 ( 7.011 0.000 -7.070) 9.957 7.473 ( 3.142 0.000 -5.205) 6.080 7.606 ( -2.121 0.000 0.602) 2.205 7.625 ( -4.153 0.000 -7.768) 8.809 7.743 ( 7.439 0.000 -2.129) 7.738 7.857 ( -2.338 0.000 -1.140) 2.601 7.952 ( -3.459 0.000 -12.217) 12.697 8.023 ( 5.711 0.000 -4.612) 7.340 8.140 ( 0.626 0.000 -5.352) 5.389 8.189 ( 6.269 0.000 -5.208) 8.150 8.335 ( 5.636 0.000 0.549) 5.663 8.389 ( -3.028 0.000 -0.609) 3.088 8.637 ( 10.980 0.000 0.398) 10.987 8.778 ( -5.813 0.000 -4.677) 7.461 8.808 ( -6.041 0.000 3.937) 7.210 9.011 ( -2.785 0.000 0.092) 2.786 9.120 ( -1.759 0.000 -3.222) 3.671 9.156 ( -3.492 0.000 -1.330) 3.737 9.342 ( 2.088 0.000 7.544) 7.827 9.483 ( -8.164 0.000 2.298) 8.481 9.540 ( -3.201 0.000 -3.467) 4.718 9.618 ( 11.368 0.000 -0.726) 11.391 9.777 ( -9.131 0.000 2.646) 9.507 9.869 ( 6.071 0.000 -0.015) 6.071 10.022 ( -6.750 0.000 5.198) 8.519 10.070 ( 4.843 0.000 1.964) 5.226 10.309 ( -13.797 0.000 0.202) 13.799 10.452 ( -0.540 0.000 -17.857) 17.866 10.696 ( -8.309 0.000 9.525) 12.639 10.973 ( 5.632 0.000 -5.764) 8.058 11.033 ( -5.384 0.000 -4.044) 6.733 11.250 ( 1.638 0.000 -8.148) 8.311 13.208 ( -0.768 0.000 -1.698) 1.864 13.269 ( 3.597 0.000 -5.311) 6.414 13.352 ( 4.259 0.000 -5.377) 6.860 13.424 ( 1.523 0.000 -7.715) 7.864 13.762 ( -1.543 0.000 9.226) 9.354 13.854 ( -6.399 0.000 11.113) 12.823 14.079 ( -6.806 0.000 -0.911) 6.866 14.107 ( -3.232 0.000 2.484) 4.077 15.212 ( 1.353 0.000 10.579) 10.665 15.308 ( 6.211 0.000 11.680) 13.228 15.607 ( 1.759 0.000 1.666) 2.423 15.616 ( 3.166 0.000 4.960) 5.884 15.764 ( 5.623 0.000 -5.411) 7.804 15.773 ( 2.126 0.000 -2.835) 3.543 15.971 ( 1.626 0.000 -0.325) 1.658 15.976 ( 0.393 0.000 -8.490) 8.499 16.698 ( 1.942 0.000 4.545) 4.943 16.783 ( -2.569 0.000 4.665) 5.325 16.803 ( -2.012 0.000 4.427) 4.863 17.066 ( 1.078 0.000 -3.532) 3.692 17.108 ( -2.819 0.000 -1.885) 3.391 17.247 ( -6.456 0.000 -7.236) 9.697 17.340 ( -1.800 0.000 -1.188) 2.157 17.506 ( 0.937 0.000 -3.052) 3.193 17.688 ( 3.469 0.000 5.298) 6.332 17.815 ( -0.741 0.000 2.346) 2.461 17.838 ( -0.871 0.000 5.278) 5.349 17.911 ( -0.017 0.000 5.413) 5.414 19.144 ( -0.088 0.000 -0.090) 0.126 19.168 ( 0.298 0.000 0.204) 0.361 19.169 ( 0.278 0.000 0.523) 0.592 19.327 ( 1.795 0.000 -3.852) 4.250 20.034 ( 0.787 0.000 1.154) 1.397 20.053 ( 0.011 0.000 0.413) 0.413 20.065 ( -0.435 0.000 0.549) 0.700 20.095 ( -0.090 0.000 0.110) 0.143 20.100 ( 3.697 0.000 0.608) 3.746 20.122 ( -3.474 0.000 0.430) 3.501 20.304 ( 4.006 0.000 -1.635) 4.327 20.400 ( -2.294 0.000 -2.875) 3.678 21.300 ( 1.168 0.000 -1.210) 1.682 21.332 ( -1.829 0.000 -2.515) 3.110 21.361 ( -0.191 0.000 -2.975) 2.982 21.370 ( -0.405 0.000 -2.579) 2.610 21.997 ( -0.131 0.000 0.564) 0.579 22.011 ( -0.398 0.000 0.255) 0.473 22.012 ( -0.082 0.000 0.247) 0.260 22.016 ( -0.429 0.000 0.241) 0.492 23.541 ( 0.753 0.000 -0.455) 0.880 23.561 ( 0.045 0.000 -0.807) 0.808 23.584 ( 0.496 0.000 -1.473) 1.554 23.588 ( -0.198 0.000 -1.667) 1.679 26.067 ( -3.514 0.000 1.164) 3.701 26.159 ( -3.085 0.000 -2.112) 3.739 26.505 ( 3.161 0.000 0.348) 3.180 26.546 ( 0.844 0.000 -1.122) 1.404 27.141 ( 0.615 0.000 -1.820) 1.922 27.191 ( 0.019 0.000 -1.536) 1.536 27.301 ( 0.949 0.000 -1.522) 1.794 27.315 ( -1.178 0.000 1.938) 2.268 27.337 ( -0.408 0.000 -4.420) 4.439 27.397 ( -0.353 0.000 -0.118) 0.372 27.404 ( 0.944 0.000 -2.275) 2.463 27.443 ( 0.836 0.000 0.330) 0.899 31.203 ( 0.368 0.000 1.700) 1.739 31.254 ( -0.254 0.000 0.760) 0.802 31.281 ( 0.350 0.000 -0.602) 0.697 31.354 ( 0.446 0.000 -1.671) 1.729 31.371 ( -4.933 0.000 3.051) 5.801 31.398 ( -0.661 0.000 0.615) 0.903 31.726 ( 1.002 0.000 3.409) 3.553 31.926 ( -2.147 0.000 -3.005) 3.693 33.389 ( 1.834 0.000 -1.753) 2.537 33.438 ( 8.034 0.000 -4.164) 9.049 33.440 ( 3.491 0.000 -0.683) 3.557 33.470 ( 6.956 0.000 -1.460) 7.107 33.810 ( -1.376 0.000 3.192) 3.476 33.851 ( -2.597 0.000 2.742) 3.777 34.045 ( -1.577 0.000 -3.264) 3.625 34.083 ( -2.710 0.000 -3.932) 4.775 34.152 ( -0.468 0.000 5.367) 5.388 34.364 ( -1.194 0.000 1.678) 2.060 34.397 ( -0.854 0.000 1.988) 2.164 34.578 ( -9.699 0.000 0.754) 9.729 35.252 ( 2.232 0.000 9.346) 9.609 35.307 ( -0.358 0.000 3.757) 3.774 35.493 ( 1.985 0.000 -1.817) 2.691 35.870 ( 11.590 0.000 -11.647) 16.431 36.680 ( 0.559 0.000 14.795) 14.805 36.751 ( -0.262 0.000 12.941) 12.944 36.817 ( 0.800 0.000 14.977) 14.998 37.132 ( 1.227 0.000 6.562) 6.676 37.948 ( -0.071 0.000 -5.677) 5.677 38.058 ( -0.883 0.000 -12.236) 12.267 38.105 ( -0.446 0.000 -11.284) 11.293 38.179 ( 3.405 0.000 -13.715) 14.131 ======================= Grid point 52 (21/36) ======================= q-point: ( 0.40 0.00 0.29) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 17.611 0.000 12.600) 21.655 1.717 ( 16.844 0.000 15.171) 22.669 1.917 ( -6.231 0.000 3.124) 6.970 1.983 ( 0.823 0.000 7.220) 7.267 2.033 ( -1.319 0.000 2.097) 2.477 2.092 ( -6.503 0.000 6.590) 9.258 2.181 ( -5.880 0.000 5.399) 7.982 2.273 ( -0.975 0.000 11.962) 12.002 2.330 ( -4.758 0.000 8.229) 9.506 2.342 ( -2.941 0.000 4.068) 5.020 2.589 ( 0.388 0.000 2.082) 2.118 2.599 ( 0.513 0.000 0.507) 0.721 2.616 ( -3.390 0.000 9.334) 9.930 2.640 ( 0.399 0.000 -3.643) 3.665 2.713 ( 0.119 0.000 10.270) 10.270 2.777 ( -0.057 0.000 3.560) 3.560 2.789 ( 8.962 0.000 -0.774) 8.996 2.885 ( -2.628 0.000 -5.453) 6.053 2.917 ( 6.189 0.000 9.140) 11.038 2.976 ( -5.377 0.000 -1.970) 5.726 3.019 ( -3.802 0.000 -4.572) 5.947 3.080 ( -2.858 0.000 2.518) 3.809 3.106 ( -0.488 0.000 -0.764) 0.906 3.145 ( -2.237 0.000 3.524) 4.174 3.265 ( -3.914 0.000 0.440) 3.938 3.271 ( -2.570 0.000 -0.165) 2.576 3.279 ( -1.312 0.000 -2.965) 3.242 3.331 ( 4.976 0.000 -2.600) 5.615 3.364 ( 0.053 0.000 -1.568) 1.569 3.455 ( 0.274 0.000 -2.682) 2.696 3.588 ( -1.533 0.000 0.810) 1.734 3.610 ( 1.271 0.000 2.482) 2.788 3.679 ( 3.312 0.000 -2.392) 4.085 3.688 ( 0.803 0.000 -0.053) 0.804 3.708 ( 0.188 0.000 -1.768) 1.778 3.795 ( 2.431 0.000 -0.342) 2.455 3.858 ( 2.077 0.000 -5.247) 5.643 3.880 ( 1.937 0.000 8.242) 8.467 3.917 ( 0.322 0.000 0.497) 0.592 3.926 ( -4.603 0.000 5.271) 6.998 4.068 ( 2.016 0.000 2.097) 2.908 4.073 ( -0.488 0.000 0.123) 0.504 4.145 ( 0.067 0.000 6.077) 6.077 4.216 ( -3.682 0.000 2.474) 4.436 4.290 ( -1.429 0.000 4.235) 4.470 4.319 ( 1.736 0.000 1.000) 2.003 4.391 ( 0.840 0.000 8.040) 8.084 4.411 ( -3.268 0.000 0.740) 3.351 4.585 ( 1.737 0.000 -7.968) 8.155 4.630 ( -0.513 0.000 1.077) 1.193 4.678 ( -1.004 0.000 3.685) 3.819 4.681 ( 5.267 0.000 -6.094) 8.055 4.802 ( -5.109 0.000 -6.906) 8.590 4.806 ( 0.368 0.000 10.535) 10.541 4.838 ( -2.420 0.000 -0.947) 2.599 5.007 ( 2.003 0.000 -1.093) 2.282 5.088 ( -4.111 0.000 -2.865) 5.011 5.133 ( -1.059 0.000 -2.520) 2.734 5.210 ( 0.049 0.000 -5.256) 5.256 5.295 ( 0.559 0.000 16.003) 16.013 5.362 ( 0.437 0.000 -5.094) 5.113 5.371 ( 2.614 0.000 11.972) 12.254 5.591 ( 0.050 0.000 7.091) 7.091 5.638 ( 1.875 0.000 10.711) 10.874 5.857 ( 2.757 0.000 1.075) 2.960 5.914 ( 3.527 0.000 10.696) 11.263 5.982 ( 2.228 0.000 -0.494) 2.282 6.016 ( 0.148 0.000 14.266) 14.266 6.064 ( -1.727 0.000 0.711) 1.867 6.144 ( 3.901 0.000 1.072) 4.045 6.369 ( 5.206 0.000 9.181) 10.554 6.391 ( -2.317 0.000 10.036) 10.300 6.457 ( 7.871 0.000 5.436) 9.566 6.583 ( 2.051 0.000 -6.919) 7.216 6.593 ( 3.500 0.000 -8.314) 9.020 6.625 ( 2.912 0.000 5.835) 6.521 6.669 ( -3.951 0.000 -0.597) 3.996 6.709 ( -3.048 0.000 -1.816) 3.548 6.761 ( -4.956 0.000 -4.262) 6.537 6.776 ( -0.329 0.000 5.007) 5.018 6.900 ( -2.289 0.000 -1.969) 3.020 6.937 ( -1.668 0.000 4.972) 5.244 7.054 ( -0.712 0.000 4.677) 4.731 7.154 ( -0.644 0.000 -2.012) 2.113 7.262 ( 2.098 0.000 -1.563) 2.616 7.269 ( -1.065 0.000 1.012) 1.469 7.298 ( 1.116 0.000 -1.788) 2.108 7.412 ( 1.665 0.000 -1.641) 2.338 7.455 ( -2.145 0.000 -11.175) 11.379 7.554 ( -0.661 0.000 -1.974) 2.082 7.581 ( 0.276 0.000 -4.523) 4.531 7.660 ( 9.815 0.000 -10.409) 14.307 7.728 ( -7.668 0.000 -8.234) 11.252 7.841 ( -0.894 0.000 -5.125) 5.203 7.961 ( 3.303 0.000 -4.146) 5.301 7.995 ( -4.732 0.000 -2.813) 5.505 8.192 ( 3.371 0.000 -3.285) 4.707 8.281 ( 4.437 0.000 0.380) 4.453 8.318 ( -2.460 0.000 -0.402) 2.493 8.476 ( 1.858 0.000 2.340) 2.988 8.716 ( -2.145 0.000 1.782) 2.789 8.782 ( 6.119 0.000 -3.255) 6.931 8.873 ( -5.752 0.000 6.266) 8.506 8.911 ( 11.664 0.000 5.075) 12.720 9.005 ( -4.624 0.000 2.419) 5.219 9.148 ( 0.352 0.000 -4.087) 4.102 9.244 ( -11.184 0.000 -2.849) 11.541 9.293 ( -6.651 0.000 3.059) 7.321 9.486 ( -5.502 0.000 -4.496) 7.105 9.719 ( 7.325 0.000 4.105) 8.397 9.819 ( 6.804 0.000 -0.077) 6.804 9.907 ( -2.499 0.000 1.415) 2.871 9.961 ( -11.843 0.000 5.765) 13.172 10.007 ( 3.052 0.000 4.386) 5.343 10.270 ( 8.335 0.000 1.909) 8.550 10.431 ( -1.009 0.000 -17.553) 17.582 10.485 ( -11.388 0.000 7.219) 13.483 10.933 ( -3.009 0.000 -9.212) 9.691 11.044 ( 1.505 0.000 -7.290) 7.444 11.260 ( -0.306 0.000 -11.440) 11.444 13.206 ( 0.184 0.000 -0.516) 0.548 13.347 ( 3.085 0.000 -4.878) 5.771 13.425 ( 2.121 0.000 -5.273) 5.683 13.446 ( 0.249 0.000 -7.560) 7.565 13.733 ( -3.887 0.000 9.998) 10.727 13.740 ( -0.447 0.000 8.285) 8.297 13.969 ( -3.016 0.000 -1.164) 3.233 14.039 ( -2.421 0.000 -1.869) 3.059 15.235 ( 0.629 0.000 10.691) 10.710 15.438 ( 4.678 0.000 16.811) 17.449 15.658 ( 2.226 0.000 -0.812) 2.370 15.685 ( 1.337 0.000 -3.165) 3.435 15.807 ( 2.977 0.000 -2.557) 3.925 15.853 ( 2.060 0.000 0.735) 2.187 15.944 ( -3.180 0.000 -2.141) 3.834 16.005 ( 1.354 0.000 -0.185) 1.367 16.726 ( -2.041 0.000 3.260) 3.846 16.735 ( 1.104 0.000 6.017) 6.118 16.762 ( -1.350 0.000 2.944) 3.239 17.067 ( -0.644 0.000 -4.267) 4.315 17.102 ( 1.494 0.000 -5.815) 6.004 17.132 ( -3.743 0.000 -8.612) 9.391 17.294 ( -1.787 0.000 0.443) 1.841 17.518 ( 0.169 0.000 -3.326) 3.331 17.743 ( 1.537 0.000 5.858) 6.057 17.806 ( -0.046 0.000 4.974) 4.974 17.816 ( -0.954 0.000 5.648) 5.728 17.913 ( 0.079 0.000 5.416) 5.417 19.143 ( -0.051 0.000 0.036) 0.063 19.172 ( 0.101 0.000 1.561) 1.565 19.176 ( 0.242 0.000 -0.810) 0.846 19.353 ( 0.652 0.000 -4.401) 4.449 20.037 ( -0.061 0.000 1.529) 1.531 20.057 ( -0.314 0.000 0.375) 0.489 20.057 ( 0.157 0.000 0.246) 0.292 20.071 ( -1.120 0.000 1.547) 1.909 20.095 ( -0.067 0.000 0.083) 0.107 20.209 ( 6.088 0.000 -0.938) 6.159 20.326 ( -4.848 0.000 -1.988) 5.240 20.362 ( 1.467 0.000 -1.779) 2.306 21.300 ( -0.973 0.000 -1.948) 2.177 21.327 ( 1.256 0.000 -1.930) 2.303 21.351 ( -0.712 0.000 -3.266) 3.343 21.359 ( -0.401 0.000 -2.116) 2.153 21.994 ( -0.070 0.000 0.507) 0.512 22.002 ( -0.244 0.000 0.438) 0.502 22.010 ( -0.058 0.000 0.269) 0.275 22.012 ( -0.095 0.000 0.276) 0.292 23.558 ( 0.705 0.000 -0.950) 1.183 23.562 ( 0.059 0.000 -0.972) 0.974 23.582 ( -0.361 0.000 -1.142) 1.198 23.593 ( 0.271 0.000 -1.348) 1.375 26.007 ( -1.724 0.000 0.977) 1.982 26.104 ( -1.583 0.000 -2.982) 3.376 26.558 ( 1.491 0.000 -0.041) 1.491 26.560 ( 0.398 0.000 -0.642) 0.755 27.155 ( 0.535 0.000 -3.156) 3.201 27.212 ( 1.846 0.000 -2.301) 2.950 27.261 ( -2.630 0.000 -2.357) 3.532 27.320 ( -0.795 0.000 -5.880) 5.934 27.332 ( 0.808 0.000 1.684) 1.868 27.404 ( 0.564 0.000 0.853) 1.022 27.421 ( 0.492 0.000 -0.961) 1.079 27.452 ( 0.144 0.000 1.475) 1.482 31.212 ( 0.430 0.000 1.539) 1.598 31.237 ( -0.980 0.000 1.215) 1.561 31.299 ( 1.325 0.000 -0.894) 1.598 31.320 ( -0.594 0.000 3.161) 3.216 31.334 ( -1.798 0.000 -0.587) 1.891 31.404 ( 0.693 0.000 -1.109) 1.308 31.729 ( -0.226 0.000 3.570) 3.577 31.883 ( -1.435 0.000 -1.846) 2.338 33.436 ( 1.842 0.000 -0.480) 1.903 33.506 ( 2.238 0.000 0.627) 2.325 33.563 ( 3.628 0.000 -4.179) 5.535 33.627 ( 5.816 0.000 -4.020) 7.070 33.781 ( -1.023 0.000 2.268) 2.488 33.793 ( -2.229 0.000 2.334) 3.227 34.003 ( -3.241 0.000 -5.082) 6.027 34.015 ( -1.544 0.000 -3.334) 3.674 34.143 ( -0.301 0.000 5.450) 5.458 34.350 ( -0.090 0.000 2.779) 2.780 34.373 ( -1.057 0.000 0.095) 1.061 34.444 ( -3.023 0.000 4.310) 5.265 35.293 ( 1.286 0.000 11.097) 11.172 35.315 ( 0.525 0.000 2.663) 2.714 35.530 ( 1.153 0.000 -3.198) 3.399 36.020 ( 3.203 0.000 -11.932) 12.355 36.690 ( 0.296 0.000 15.083) 15.085 36.748 ( -0.079 0.000 12.750) 12.750 36.831 ( 0.416 0.000 15.181) 15.187 37.146 ( 0.215 0.000 5.950) 5.954 37.946 ( -0.055 0.000 -4.866) 4.866 38.050 ( -0.067 0.000 -13.092) 13.092 38.097 ( -0.262 0.000 -12.016) 12.019 38.231 ( 1.340 0.000 -15.534) 15.592 ======================= Grid point 55 (22/36) ======================= q-point: ( 0.00 0.25 0.29) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.000 13.225 24.218) 27.593 1.364 ( 0.000 20.211 22.514) 30.255 1.835 ( 0.000 -7.901 9.090) 12.044 2.036 ( 0.000 -7.107 16.636) 18.091 2.098 ( 0.000 1.770 0.850) 1.963 2.155 ( 0.000 3.270 4.969) 5.949 2.220 ( 0.000 -0.380 6.135) 6.146 2.230 ( 0.000 -1.565 20.387) 20.447 2.416 ( 0.000 -5.473 0.649) 5.511 2.478 ( 0.000 -7.031 3.439) 7.827 2.513 ( 0.000 4.149 3.346) 5.330 2.554 ( 0.000 6.562 13.162) 14.707 2.597 ( 0.000 6.855 10.363) 12.425 2.643 ( 0.000 -3.118 -3.333) 4.564 2.732 ( 0.000 -4.887 6.098) 7.814 2.845 ( 0.000 4.373 3.962) 5.901 2.872 ( 0.000 -0.176 4.240) 4.244 2.917 ( 0.000 2.365 3.397) 4.139 2.966 ( 0.000 2.063 -4.326) 4.792 3.057 ( 0.000 7.849 -0.612) 7.873 3.058 ( 0.000 -2.692 -2.490) 3.667 3.185 ( 0.000 -4.455 -5.190) 6.840 3.209 ( 0.000 0.847 -1.403) 1.639 3.239 ( 0.000 0.249 -3.333) 3.342 3.280 ( 0.000 -0.711 -3.265) 3.341 3.303 ( 0.000 0.497 0.466) 0.681 3.356 ( 0.000 -5.340 1.761) 5.623 3.434 ( 0.000 -0.601 4.870) 4.907 3.490 ( 0.000 0.558 -5.357) 5.386 3.508 ( 0.000 0.681 2.909) 2.988 3.554 ( 0.000 -0.317 1.383) 1.419 3.591 ( 0.000 -0.159 1.938) 1.945 3.624 ( 0.000 0.354 0.143) 0.382 3.671 ( 0.000 1.407 0.415) 1.467 3.705 ( 0.000 -0.117 0.876) 0.884 3.758 ( 0.000 -1.410 4.197) 4.427 3.788 ( 0.000 3.004 5.154) 5.966 3.817 ( 0.000 -0.562 1.431) 1.538 3.865 ( 0.000 0.901 3.826) 3.931 3.911 ( 0.000 -7.290 9.672) 12.111 3.935 ( 0.000 -2.168 -3.364) 4.002 4.001 ( 0.000 0.872 2.304) 2.464 4.053 ( 0.000 2.688 2.781) 3.868 4.122 ( 0.000 -3.482 -5.714) 6.691 4.266 ( 0.000 -0.569 -4.530) 4.566 4.307 ( 0.000 -3.294 0.200) 3.300 4.346 ( 0.000 -2.012 4.200) 4.657 4.475 ( 0.000 -4.308 0.979) 4.418 4.549 ( 0.000 -0.693 -3.052) 3.130 4.556 ( 0.000 -2.573 -3.270) 4.161 4.719 ( 0.000 -0.966 0.439) 1.061 4.733 ( 0.000 4.230 -4.380) 6.089 4.846 ( 0.000 5.533 5.923) 8.105 4.927 ( 0.000 1.194 -1.575) 1.977 5.044 ( 0.000 8.125 2.192) 8.416 5.078 ( 0.000 -5.415 -1.944) 5.753 5.093 ( 0.000 -2.265 13.010) 13.206 5.183 ( 0.000 2.975 -5.518) 6.269 5.198 ( 0.000 1.260 1.071) 1.653 5.238 ( 0.000 1.876 -3.663) 4.116 5.280 ( 0.000 -3.277 -1.319) 3.533 5.287 ( 0.000 -0.544 3.917) 3.955 5.597 ( 0.000 2.983 7.151) 7.748 5.697 ( 0.000 7.003 8.111) 10.715 5.783 ( 0.000 2.852 6.698) 7.280 5.799 ( 0.000 -3.494 4.730) 5.880 5.852 ( 0.000 1.447 4.630) 4.851 5.923 ( 0.000 0.069 -1.953) 1.954 5.995 ( 0.000 -0.987 -0.513) 1.113 6.168 ( 0.000 6.704 3.885) 7.748 6.190 ( 0.000 -11.709 -0.631) 11.726 6.233 ( 0.000 2.478 6.476) 6.934 6.256 ( 0.000 -2.765 11.604) 11.929 6.356 ( 0.000 9.147 -0.546) 9.164 6.551 ( 0.000 3.634 3.211) 4.849 6.580 ( 0.000 -0.869 -3.094) 3.214 6.742 ( 0.000 -16.952 10.736) 20.066 6.751 ( 0.000 0.368 -8.571) 8.579 6.834 ( 0.000 4.085 -5.470) 6.828 6.919 ( 0.000 -6.115 0.970) 6.191 6.968 ( 0.000 -10.874 -2.747) 11.215 6.988 ( 0.000 6.763 -2.398) 7.175 7.012 ( 0.000 -3.388 -3.780) 5.076 7.203 ( 0.000 -1.717 1.570) 2.327 7.207 ( 0.000 -4.695 -5.139) 6.961 7.324 ( 0.000 1.689 1.730) 2.417 7.350 ( 0.000 1.079 0.431) 1.162 7.355 ( 0.000 -4.135 -5.268) 6.697 7.536 ( 0.000 -0.017 -0.413) 0.413 7.563 ( 0.000 0.234 3.321) 3.329 7.598 ( 0.000 5.124 -3.710) 6.326 7.663 ( 0.000 3.060 -3.120) 4.370 7.725 ( 0.000 6.958 2.278) 7.321 7.855 ( 0.000 2.051 -5.146) 5.540 7.869 ( 0.000 -4.586 -6.727) 8.142 7.973 ( 0.000 -2.402 -9.462) 9.762 8.063 ( 0.000 2.374 -6.627) 7.039 8.293 ( 0.000 9.942 -4.957) 11.109 8.327 ( 0.000 -0.388 -1.052) 1.122 8.398 ( 0.000 -0.356 -0.099) 0.370 8.464 ( 0.000 -5.074 -3.013) 5.901 8.657 ( 0.000 -13.738 3.454) 14.166 8.950 ( 0.000 2.379 -2.085) 3.164 9.113 ( 0.000 4.044 3.312) 5.227 9.119 ( 0.000 1.751 -1.784) 2.500 9.263 ( 0.000 3.712 -5.550) 6.677 9.287 ( 0.000 0.241 -2.606) 2.617 9.476 ( 0.000 0.573 -3.946) 3.988 9.543 ( 0.000 -1.082 1.887) 2.176 9.597 ( 0.000 -2.638 3.492) 4.377 9.860 ( 0.000 5.663 -1.089) 5.767 9.910 ( 0.000 1.877 -0.893) 2.079 10.011 ( 0.000 1.677 0.876) 1.892 10.109 ( 0.000 -2.975 4.685) 5.550 10.475 ( 0.000 0.934 -13.835) 13.866 10.505 ( 0.000 -0.609 -0.462) 0.765 10.831 ( 0.000 1.307 4.320) 4.514 10.854 ( 0.000 1.051 -3.038) 3.215 11.145 ( 0.000 3.487 -2.032) 4.036 11.214 ( 0.000 -0.437 -3.841) 3.865 13.229 ( 0.000 0.281 -4.344) 4.353 13.235 ( 0.000 0.208 -2.801) 2.808 13.305 ( 0.000 1.532 -5.692) 5.895 13.386 ( 0.000 -1.713 -7.193) 7.394 13.805 ( 0.000 2.098 10.524) 10.731 13.911 ( 0.000 -1.993 11.452) 11.624 14.138 ( 0.000 -0.495 4.416) 4.443 14.151 ( 0.000 -1.595 0.182) 1.605 15.199 ( 0.000 0.382 10.786) 10.793 15.223 ( 0.000 -0.880 10.529) 10.566 15.543 ( 0.000 -3.149 4.435) 5.439 15.558 ( 0.000 -2.656 1.768) 3.190 15.738 ( 0.000 2.017 -3.919) 4.408 15.746 ( 0.000 3.093 -5.088) 5.954 15.919 ( 0.000 -2.337 -2.428) 3.370 15.941 ( 0.000 -2.027 -8.694) 8.927 16.741 ( 0.000 4.671 4.971) 6.822 16.815 ( 0.000 -0.434 6.321) 6.336 16.865 ( 0.000 4.957 3.689) 6.179 17.112 ( 0.000 -3.539 1.229) 3.746 17.122 ( 0.000 5.735 -1.914) 6.047 17.319 ( 0.000 -2.495 -4.331) 4.998 17.343 ( 0.000 0.402 -5.677) 5.691 17.465 ( 0.000 -2.953 -4.030) 4.996 17.651 ( 0.000 1.495 5.586) 5.783 17.791 ( 0.000 -4.514 6.429) 7.855 17.832 ( 0.000 0.595 0.435) 0.737 17.894 ( 0.000 -1.857 4.316) 4.699 19.146 ( 0.000 0.355 0.194) 0.404 19.164 ( 0.000 -0.280 1.145) 1.179 19.205 ( 0.000 2.966 -1.851) 3.496 19.291 ( 0.000 -1.028 -2.682) 2.872 20.029 ( 0.000 0.957 1.066) 1.433 20.052 ( 0.000 -0.546 0.889) 1.043 20.075 ( 0.000 1.625 1.196) 2.018 20.081 ( 0.000 0.529 0.252) 0.586 20.095 ( 0.000 -0.003 0.417) 0.417 20.186 ( 0.000 -2.165 2.259) 3.129 20.245 ( 0.000 3.395 -4.143) 5.356 20.404 ( 0.000 -2.293 -4.061) 4.663 21.296 ( 0.000 0.998 -0.967) 1.390 21.349 ( 0.000 -1.049 -2.206) 2.443 21.368 ( 0.000 0.671 -3.625) 3.686 21.376 ( 0.000 0.230 -3.298) 3.306 22.000 ( 0.000 0.179 0.534) 0.563 22.011 ( 0.000 -0.232 0.272) 0.357 22.013 ( 0.000 -0.129 0.273) 0.302 22.018 ( 0.000 -0.489 0.184) 0.522 23.530 ( 0.000 0.046 -0.225) 0.229 23.551 ( 0.000 -0.732 -0.504) 0.889 23.592 ( 0.000 0.863 -2.385) 2.536 23.597 ( 0.000 0.431 -2.122) 2.165 26.161 ( 0.000 4.612 1.154) 4.754 26.244 ( 0.000 4.415 -1.609) 4.699 26.408 ( 0.000 -5.113 0.716) 5.163 26.480 ( 0.000 -5.035 -1.594) 5.282 27.153 ( 0.000 1.455 -1.525) 2.108 27.195 ( 0.000 -0.584 -1.459) 1.571 27.277 ( 0.000 0.269 1.323) 1.351 27.318 ( 0.000 -1.065 2.544) 2.758 27.346 ( 0.000 0.768 -2.900) 3.000 27.384 ( 0.000 -0.845 -3.881) 3.972 27.423 ( 0.000 0.461 -2.024) 2.076 27.428 ( 0.000 0.423 -0.765) 0.874 31.246 ( 0.000 3.371 1.471) 3.678 31.251 ( 0.000 -0.016 0.862) 0.862 31.293 ( 0.000 1.054 -0.535) 1.182 31.306 ( 0.000 -1.550 0.935) 1.810 31.412 ( 0.000 1.271 2.455) 2.765 31.578 ( 0.000 8.697 -4.409) 9.750 31.636 ( 0.000 -5.665 4.483) 7.225 31.898 ( 0.000 -5.162 -4.265) 6.696 33.333 ( 0.000 1.019 -0.762) 1.272 33.383 ( 0.000 0.479 -3.515) 3.547 33.385 ( 0.000 -0.941 -0.496) 1.064 33.392 ( 0.000 -0.001 -1.289) 1.289 33.834 ( 0.000 0.769 3.388) 3.474 33.872 ( 0.000 -0.739 3.100) 3.187 34.070 ( 0.000 0.618 -3.471) 3.525 34.101 ( 0.000 -0.688 -3.332) 3.402 34.182 ( 0.000 2.623 5.837) 6.399 34.363 ( 0.000 -3.854 4.469) 5.901 34.411 ( 0.000 2.627 0.335) 2.648 34.625 ( 0.000 -8.086 -1.626) 8.248 35.229 ( 0.000 0.491 7.781) 7.796 35.286 ( 0.000 -2.818 5.638) 6.303 35.538 ( 0.000 4.369 -3.064) 5.336 35.650 ( 0.000 -1.257 -4.619) 4.787 36.693 ( 0.000 1.989 15.105) 15.236 36.770 ( 0.000 1.426 13.598) 13.673 36.794 ( 0.000 -1.294 14.595) 14.652 36.966 ( 0.000 -10.099 15.032) 18.109 38.013 ( 0.000 4.176 -9.573) 10.444 38.085 ( 0.000 0.180 -12.575) 12.577 38.104 ( 0.000 -0.761 -11.017) 11.043 38.110 ( 0.000 -0.891 -10.726) 10.763 ======================= Grid point 56 (23/36) ======================= q-point: ( 0.20 0.25 0.29) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 9.832 9.915 20.278) 24.621 1.531 ( 12.785 14.736 19.895) 27.864 1.867 ( 2.786 -8.245 7.686) 11.611 2.034 ( -2.444 0.286 7.387) 7.786 2.061 ( -1.765 -0.561 8.807) 9.000 2.139 ( 1.589 -1.928 3.193) 4.054 2.214 ( -0.082 -0.644 9.765) 9.786 2.318 ( 2.799 -1.320 7.480) 8.095 2.362 ( -5.174 -2.747 2.845) 6.513 2.456 ( -5.073 -0.388 4.875) 7.046 2.520 ( 2.214 -6.165 3.805) 7.576 2.567 ( 0.238 1.820 1.240) 2.215 2.617 ( 1.765 1.058 0.811) 2.212 2.685 ( -0.368 1.506 8.717) 8.854 2.712 ( 5.258 5.981 14.675) 16.697 2.747 ( -5.648 0.888 1.352) 5.875 2.807 ( -5.272 2.346 7.101) 9.150 2.887 ( -4.097 3.695 2.518) 6.065 2.958 ( -0.590 2.886 -2.040) 3.583 3.050 ( -3.978 -6.993 -4.281) 9.113 3.098 ( -3.873 -1.243 -3.245) 5.203 3.122 ( 0.569 1.473 0.057) 1.581 3.152 ( 0.242 -0.011 -4.727) 4.733 3.218 ( -0.492 -0.979 -1.838) 2.140 3.235 ( -7.725 -0.353 2.182) 8.035 3.303 ( -1.035 0.489 -0.142) 1.153 3.351 ( 1.084 -1.884 -2.631) 3.413 3.392 ( -6.018 2.439 -1.808) 6.740 3.423 ( -2.559 2.463 1.745) 3.957 3.482 ( 0.353 2.299 -0.410) 2.361 3.589 ( 2.023 -0.588 3.216) 3.845 3.606 ( 1.007 1.433 -0.622) 1.859 3.642 ( 2.489 -0.763 1.890) 3.217 3.675 ( -1.973 1.843 2.987) 4.026 3.694 ( 1.293 -0.201 0.037) 1.309 3.772 ( -1.693 -2.909 2.113) 3.974 3.796 ( 2.802 -0.181 2.686) 3.886 3.841 ( 3.783 0.336 6.494) 7.523 3.857 ( 0.382 2.261 -1.552) 2.769 3.951 ( 2.436 -4.073 5.573) 7.321 3.985 ( 2.690 -5.108 -0.956) 5.852 4.014 ( 1.094 0.638 1.634) 2.067 4.114 ( 4.591 -1.289 3.644) 6.002 4.168 ( 4.062 -1.811 -0.498) 4.475 4.265 ( -0.183 -0.297 -3.020) 3.040 4.321 ( -1.797 -1.066 3.248) 3.862 4.359 ( 2.037 -3.455 1.011) 4.136 4.444 ( -2.137 -4.099 2.741) 5.375 4.536 ( -0.164 -2.194 -5.397) 5.828 4.581 ( 1.182 -0.861 -3.405) 3.706 4.676 ( -2.981 2.677 -2.353) 4.647 4.741 ( -0.971 -2.568 -2.125) 3.472 4.796 ( -3.102 5.688 5.486) 8.489 4.920 ( -0.879 5.567 1.164) 5.755 4.996 ( -3.357 0.667 -0.253) 3.432 5.065 ( -1.572 3.849 -1.658) 4.476 5.119 ( -0.293 -1.408 1.359) 1.979 5.175 ( 1.355 -0.183 2.574) 2.915 5.202 ( -2.888 -0.474 -3.169) 4.314 5.254 ( 4.586 0.769 2.793) 5.425 5.270 ( -0.675 -1.608 4.684) 4.998 5.338 ( 3.368 -0.634 1.332) 3.677 5.591 ( -0.216 3.796 8.221) 9.058 5.734 ( 3.159 7.575 8.195) 11.598 5.788 ( 2.002 0.824 7.155) 7.475 5.860 ( 3.105 0.969 6.026) 6.848 5.904 ( 5.099 0.665 3.632) 6.296 5.961 ( 1.786 -3.097 2.989) 4.660 6.044 ( 5.434 1.319 -0.390) 5.605 6.142 ( -0.673 3.772 2.379) 4.510 6.257 ( 2.686 0.199 6.287) 6.840 6.280 ( 4.746 -9.230 5.324) 11.665 6.305 ( 5.586 -3.296 5.076) 8.236 6.429 ( 5.096 8.098 0.483) 9.580 6.540 ( -0.623 0.227 4.235) 4.286 6.591 ( 0.701 -1.265 -1.784) 2.297 6.693 ( -3.010 -9.051 6.253) 11.405 6.737 ( -1.169 -2.701 -3.496) 4.570 6.827 ( -0.675 3.262 -5.106) 6.096 6.880 ( -4.788 -1.376 -1.095) 5.100 6.960 ( -1.211 0.907 -1.680) 2.261 6.989 ( -2.533 -0.271 -2.155) 3.337 7.014 ( 3.081 -10.076 -2.134) 10.751 7.161 ( -2.938 -1.804 -2.595) 4.315 7.188 ( -2.789 1.179 -1.589) 3.419 7.282 ( -1.613 2.662 -0.070) 3.113 7.334 ( -2.056 -3.871 -0.237) 4.390 7.398 ( 0.625 -0.452 -1.696) 1.863 7.405 ( 1.279 0.052 0.040) 1.281 7.537 ( -3.865 2.474 -5.988) 7.544 7.626 ( -1.531 -5.437 0.945) 5.727 7.640 ( 4.491 6.300 -0.564) 7.758 7.746 ( -3.888 2.809 -7.166) 8.623 7.893 ( 1.033 -2.693 -7.572) 8.102 7.910 ( -0.534 0.267 -4.422) 4.462 7.941 ( 0.001 -2.208 -9.713) 9.961 8.157 ( 7.045 2.404 -3.323) 8.152 8.347 ( 3.736 1.517 -0.204) 4.037 8.363 ( 5.450 8.266 -6.023) 11.589 8.386 ( -0.259 2.277 2.695) 3.537 8.558 ( 9.790 -5.557 1.543) 11.363 8.716 ( 3.493 -5.525 1.613) 6.733 8.922 ( -7.817 7.299 -8.278) 13.525 8.968 ( -2.880 -0.722 4.807) 5.650 9.117 ( -4.013 -1.934 0.827) 4.531 9.186 ( -6.746 -0.926 -1.622) 7.000 9.317 ( 3.036 1.097 -0.344) 3.247 9.452 ( -5.635 -2.187 1.122) 6.148 9.540 ( -4.381 0.582 0.184) 4.423 9.619 ( 5.554 -0.811 -0.400) 5.627 9.859 ( -3.541 6.699 1.501) 7.724 9.910 ( 3.660 3.060 0.308) 4.781 10.008 ( -5.410 -1.675 2.096) 6.039 10.064 ( 3.653 -1.261 1.789) 4.259 10.323 ( -11.698 2.458 1.287) 12.022 10.467 ( -2.787 -0.617 -10.065) 10.462 10.733 ( -6.568 4.126 3.245) 8.408 10.920 ( 2.179 -3.695 -5.304) 6.822 11.087 ( -4.146 3.665 -5.139) 7.552 11.225 ( -0.037 -2.417 -7.519) 7.898 13.222 ( -0.182 1.240 -2.051) 2.404 13.266 ( 3.031 -0.436 -4.591) 5.518 13.361 ( 4.001 0.806 -5.820) 7.109 13.410 ( 1.950 -1.242 -7.354) 7.709 13.775 ( -2.327 1.269 9.589) 9.948 13.842 ( -5.720 -1.184 10.971) 12.429 14.073 ( -5.836 -0.302 0.346) 5.854 14.097 ( -3.498 -0.931 2.388) 4.336 15.222 ( 1.840 1.006 11.060) 11.258 15.291 ( 5.479 -1.642 12.438) 13.690 15.566 ( 2.845 -1.687 1.191) 3.515 15.603 ( 4.724 -2.113 2.476) 5.737 15.780 ( 2.745 2.523 -4.060) 5.512 15.818 ( 4.069 2.526 -2.901) 5.599 15.930 ( 1.044 -2.975 -1.902) 3.682 15.950 ( 0.422 -2.762 -7.038) 7.572 16.738 ( -0.488 2.713 5.494) 6.147 16.790 ( -1.957 -0.357 5.007) 5.387 16.844 ( -1.797 5.193 3.704) 6.627 17.073 ( -2.463 -2.893 -0.909) 3.907 17.140 ( 1.209 6.182 -3.445) 7.180 17.243 ( -5.632 -0.119 -6.447) 8.562 17.310 ( -3.523 -2.355 -2.373) 4.857 17.468 ( 0.730 -3.980 -3.695) 5.479 17.705 ( 3.634 1.438 5.301) 6.586 17.798 ( 0.585 -2.501 6.017) 6.542 17.831 ( -0.240 0.452 2.123) 2.183 17.892 ( -0.030 -1.748 4.697) 5.012 19.144 ( -0.129 0.262 0.301) 0.419 19.165 ( 0.043 -0.409 1.258) 1.324 19.203 ( -0.091 2.717 -1.560) 3.134 19.308 ( 1.185 -1.779 -3.384) 4.003 20.037 ( 0.353 0.263 1.286) 1.360 20.048 ( -0.138 -0.308 0.852) 0.917 20.075 ( -0.297 0.699 0.314) 0.821 20.092 ( 0.029 -0.181 0.152) 0.238 20.112 ( 2.482 1.306 0.813) 2.920 20.143 ( -1.608 1.384 0.944) 2.322 20.301 ( 3.172 0.121 -2.550) 4.072 20.384 ( -1.945 -1.855 -3.558) 4.459 21.306 ( 0.857 0.632 -1.368) 1.733 21.337 ( -1.385 -0.084 -2.630) 2.974 21.355 ( -0.492 0.021 -2.703) 2.747 21.372 ( -0.552 -0.048 -3.146) 3.195 21.999 ( -0.119 0.194 0.509) 0.558 22.010 ( -0.088 -0.236 0.285) 0.381 22.010 ( -0.337 -0.104 0.324) 0.479 22.013 ( -0.232 -0.244 0.313) 0.460 23.537 ( 0.559 -0.074 -0.333) 0.655 23.555 ( 0.357 -0.653 -0.573) 0.940 23.590 ( -0.203 0.648 -2.088) 2.196 23.597 ( 0.073 0.406 -1.912) 1.956 26.128 ( -2.517 5.872 1.041) 6.473 26.213 ( -2.449 5.199 -1.983) 6.079 26.437 ( 2.135 -6.332 0.459) 6.698 26.486 ( 0.484 -5.570 -1.283) 5.736 27.154 ( 0.266 1.078 -1.910) 2.209 27.190 ( 0.125 -0.305 -1.676) 1.708 27.292 ( 0.467 -0.383 -0.848) 1.041 27.309 ( -0.934 -0.561 0.998) 1.478 27.346 ( -0.273 0.731 -3.586) 3.670 27.383 ( 0.516 -0.972 -1.250) 1.665 27.417 ( 0.027 0.907 -1.131) 1.450 27.442 ( 0.679 -0.158 0.059) 0.699 31.228 ( -0.670 1.287 0.966) 1.743 31.258 ( -0.631 0.086 1.372) 1.513 31.290 ( -0.140 0.711 -0.599) 0.940 31.305 ( 0.111 -0.467 0.865) 0.989 31.401 ( -0.853 2.530 2.460) 3.630 31.517 ( -2.347 8.219 -1.336) 8.652 31.670 ( 0.811 -4.887 2.922) 5.751 31.870 ( -2.266 -5.421 -3.291) 6.734 33.393 ( 2.090 0.304 -1.364) 2.514 33.417 ( 4.493 -1.100 -0.797) 4.694 33.452 ( 6.420 0.729 -3.394) 7.298 33.476 ( 6.966 0.138 -2.904) 7.548 33.817 ( -1.487 0.630 3.029) 3.433 33.845 ( -2.357 -0.493 2.739) 3.647 34.050 ( -1.777 0.457 -3.519) 3.968 34.075 ( -2.559 -0.628 -3.924) 4.726 34.175 ( -0.594 2.422 5.704) 6.225 34.339 ( -1.728 -3.460 4.248) 5.745 34.402 ( -0.964 1.546 0.235) 1.837 34.526 ( -6.546 -4.029 1.691) 7.871 35.255 ( 2.117 0.360 8.739) 8.999 35.289 ( 0.766 -1.256 4.917) 5.132 35.564 ( 2.948 6.082 -3.427) 7.578 35.821 ( 10.613 -4.654 -10.166) 15.416 36.699 ( 0.484 1.971 15.275) 15.409 36.768 ( -0.045 1.605 13.378) 13.474 36.804 ( 0.715 -1.315 14.735) 14.811 36.991 ( 1.910 -10.452 12.893) 16.707 37.979 ( -2.036 1.983 -7.416) 7.942 38.036 ( -2.330 -1.475 -10.402) 10.762 38.128 ( 1.335 1.566 -12.905) 13.068 38.173 ( 3.341 -0.601 -13.802) 14.213 ======================= Grid point 57 (24/36) ======================= q-point: ( 0.40 0.25 0.29) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 14.327 2.818 11.282) 18.452 1.818 ( 12.151 7.756 14.179) 20.220 1.940 ( 3.524 -5.782 4.864) 8.338 1.964 ( -2.588 3.878 3.230) 5.672 2.032 ( -0.348 1.698 7.634) 7.829 2.163 ( -7.594 4.248 5.871) 10.497 2.188 ( -2.018 1.165 5.263) 5.756 2.232 ( -1.149 -3.066 8.062) 8.702 2.288 ( -4.446 -1.225 7.773) 9.038 2.381 ( -1.667 0.804 6.343) 6.607 2.493 ( -1.677 -9.046 9.092) 12.935 2.588 ( -6.288 -4.813 5.170) 9.457 2.604 ( 2.876 1.089 1.673) 3.501 2.636 ( 0.457 -1.375 -1.786) 2.300 2.665 ( -2.241 1.648 3.203) 4.243 2.760 ( 1.251 -3.024 1.332) 3.533 2.793 ( 0.787 -0.496 1.123) 1.458 2.900 ( -5.698 -6.456 -2.128) 8.870 2.915 ( -1.983 2.604 -6.006) 6.840 2.962 ( 1.758 4.208 7.282) 8.592 3.000 ( -1.430 1.361 -3.819) 4.299 3.106 ( -0.412 2.053 1.707) 2.702 3.135 ( 1.092 2.508 -1.754) 3.250 3.166 ( -2.373 -3.411 -2.464) 4.831 3.207 ( -2.062 2.496 -1.127) 3.428 3.263 ( -0.968 0.544 -0.366) 1.169 3.336 ( -0.273 -0.501 -1.520) 1.623 3.352 ( -0.494 -0.507 -0.816) 1.080 3.435 ( 3.759 5.682 1.341) 6.944 3.507 ( 1.650 3.108 -1.438) 3.801 3.567 ( -3.304 1.013 -0.726) 3.531 3.629 ( -1.439 2.550 6.006) 6.682 3.662 ( 0.928 -2.122 0.056) 2.317 3.696 ( 2.846 0.127 0.992) 3.016 3.732 ( 1.035 2.660 -1.143) 3.075 3.772 ( 3.220 -2.983 1.636) 4.684 3.847 ( 1.946 -0.621 5.082) 5.477 3.882 ( 0.323 -2.419 1.730) 2.991 3.909 ( 1.934 0.945 2.087) 2.998 3.946 ( -2.411 1.146 2.413) 3.598 4.011 ( 0.371 -1.866 2.216) 2.921 4.055 ( 1.706 -0.774 0.956) 2.104 4.175 ( -2.257 -0.007 0.571) 2.328 4.232 ( -0.758 -2.039 3.950) 4.509 4.254 ( 3.942 1.572 7.839) 8.914 4.292 ( 1.622 -2.735 1.584) 3.552 4.365 ( -2.006 -2.045 4.416) 5.263 4.395 ( -2.347 -2.550 2.011) 4.007 4.564 ( 2.409 -3.581 -3.280) 5.421 4.606 ( 1.472 -1.824 -6.360) 6.778 4.628 ( -1.513 0.865 -2.420) 2.982 4.672 ( -4.056 -2.582 -3.433) 5.908 4.772 ( 0.274 4.746 3.030) 5.638 4.897 ( -0.828 4.705 3.508) 5.927 4.925 ( -2.748 2.276 0.594) 3.618 5.063 ( 1.032 4.937 -1.884) 5.384 5.095 ( -0.881 -2.240 -1.725) 2.962 5.133 ( -2.909 2.099 -2.502) 4.373 5.196 ( 0.263 -1.465 -2.195) 2.652 5.265 ( 0.105 -2.391 11.614) 11.857 5.344 ( 3.019 -0.476 2.429) 3.904 5.380 ( 0.391 -0.106 5.096) 5.112 5.594 ( 0.278 4.753 9.098) 10.268 5.795 ( 1.868 9.065 6.757) 11.459 5.852 ( 3.297 0.301 5.948) 6.807 5.901 ( 0.315 -0.715 8.800) 8.835 5.974 ( 0.869 -2.225 2.263) 3.291 6.015 ( 3.558 0.376 10.598) 11.185 6.118 ( -1.026 3.034 3.937) 5.075 6.171 ( 4.170 3.078 2.233) 5.643 6.332 ( 3.690 -3.028 9.280) 10.435 6.356 ( -3.714 -4.816 10.212) 11.886 6.400 ( 5.763 -5.554 1.528) 8.148 6.488 ( 4.381 -4.865 -3.945) 7.643 6.577 ( 2.533 0.586 2.469) 3.586 6.598 ( -0.233 0.131 -1.054) 1.088 6.687 ( 1.029 0.280 0.427) 1.148 6.699 ( -3.275 -2.786 0.031) 4.300 6.783 ( -1.308 3.324 -3.200) 4.796 6.806 ( -1.981 2.013 -4.295) 5.141 6.903 ( -3.115 -1.195 -0.961) 3.472 6.939 ( -0.963 0.714 0.447) 1.280 7.086 ( 2.548 -8.893 -2.136) 9.494 7.096 ( -1.971 -2.804 -2.030) 3.983 7.167 ( 0.422 6.791 0.453) 6.819 7.294 ( -0.138 -2.661 1.006) 2.848 7.312 ( 0.845 -0.916 1.015) 1.608 7.390 ( 0.067 -4.111 -5.708) 7.035 7.456 ( -2.715 1.857 -6.248) 7.061 7.464 ( 0.054 -2.838 -6.563) 7.150 7.557 ( -1.464 -1.087 -3.144) 3.635 7.715 ( 1.589 6.681 -4.322) 8.114 7.777 ( 2.723 -2.204 -3.781) 5.155 7.848 ( -1.273 -4.227 -10.350) 11.252 7.888 ( -2.771 -0.882 -11.334) 11.701 7.912 ( -0.031 -3.936 -5.102) 6.444 8.261 ( 2.235 4.815 0.753) 5.361 8.397 ( 2.780 4.520 4.529) 6.976 8.441 ( 4.938 13.984 -1.124) 14.873 8.518 ( 2.074 3.367 4.976) 6.356 8.710 ( 1.551 -4.611 3.730) 6.130 8.755 ( -1.833 -3.088 -2.044) 4.132 8.807 ( 1.310 1.809 -6.624) 6.990 8.938 ( -0.264 -0.853 10.260) 10.299 9.002 ( -0.091 -0.605 -2.332) 2.411 9.120 ( -1.118 -3.031 3.150) 4.512 9.291 ( -8.062 5.191 -0.542) 9.604 9.319 ( -2.933 2.314 -2.401) 4.441 9.454 ( -5.710 -2.572 -4.486) 7.703 9.625 ( 1.765 -6.940 4.170) 8.287 9.865 ( -1.274 -0.098 2.336) 2.662 9.923 ( 0.290 1.259 -2.569) 2.876 9.991 ( 3.107 3.005 4.646) 6.346 10.075 ( -4.966 7.600 5.898) 10.826 10.234 ( 5.976 -2.997 1.819) 6.928 10.386 ( -5.151 -3.971 -1.712) 6.726 10.593 ( -5.253 9.200 -6.330) 12.341 10.947 ( 1.510 -1.822 -8.180) 8.516 11.008 ( -3.366 -0.402 -8.730) 9.365 11.208 ( -0.948 -4.787 -10.764) 11.818 13.229 ( 0.483 2.205 -0.922) 2.438 13.330 ( 2.413 -1.675 -3.976) 4.943 13.431 ( 2.159 0.544 -5.699) 6.119 13.445 ( 0.968 -0.093 -7.230) 7.295 13.731 ( -3.216 -0.119 9.796) 10.311 13.737 ( -1.464 -0.273 8.880) 9.004 13.975 ( -2.771 0.670 -1.195) 3.092 14.026 ( -2.428 -1.208 -1.760) 3.233 15.254 ( 0.929 1.906 11.579) 11.772 15.392 ( 3.147 -3.924 15.979) 16.752 15.660 ( 5.505 1.089 -2.220) 6.035 15.719 ( 3.457 1.027 -0.325) 3.621 15.793 ( 0.375 0.162 -3.369) 3.394 15.859 ( -0.881 0.110 -0.677) 1.117 15.928 ( -1.866 -1.286 -1.617) 2.784 15.974 ( 2.108 -2.721 -0.535) 3.484 16.712 ( -1.374 0.508 4.241) 4.487 16.753 ( -1.235 -0.737 3.099) 3.416 16.823 ( -0.115 6.255 4.753) 7.856 17.040 ( -0.385 -2.424 -2.652) 3.613 17.112 ( -3.295 -0.189 -7.332) 8.040 17.197 ( 1.040 6.897 -6.329) 9.419 17.230 ( -3.054 -5.296 -0.424) 6.128 17.483 ( 0.433 -3.683 -4.396) 5.751 17.763 ( 1.636 1.366 5.718) 6.102 17.805 ( -0.081 -0.626 6.741) 6.771 17.825 ( -0.082 1.284 4.039) 4.239 17.895 ( 0.198 -1.606 5.318) 5.559 19.142 ( -0.038 0.156 0.400) 0.431 19.165 ( 0.026 -0.592 1.409) 1.528 19.202 ( 0.014 2.336 -1.397) 2.722 19.325 ( 0.407 -2.604 -3.742) 4.577 20.039 ( -0.044 0.143 1.457) 1.464 20.048 ( 0.015 -0.368 0.846) 0.923 20.071 ( -0.091 0.726 0.216) 0.763 20.091 ( -0.030 -0.109 0.124) 0.168 20.099 ( -0.941 2.464 1.198) 2.897 20.211 ( 4.636 -0.596 0.027) 4.675 20.317 ( -3.143 -0.271 -2.942) 4.314 20.357 ( 0.848 -0.652 -2.305) 2.541 21.309 ( -0.874 0.682 -2.133) 2.404 21.325 ( 0.783 -0.175 -1.793) 1.964 21.347 ( -0.354 -0.188 -3.015) 3.041 21.359 ( -0.523 -0.198 -2.460) 2.523 21.996 ( -0.069 0.205 0.477) 0.523 22.003 ( -0.175 0.089 0.411) 0.455 22.008 ( -0.067 -0.247 0.319) 0.408 22.010 ( -0.071 -0.163 0.280) 0.332 23.548 ( 0.331 -0.273 -0.579) 0.720 23.564 ( 0.412 -0.726 -0.668) 1.069 23.584 ( -0.307 0.756 -1.657) 1.847 23.599 ( 0.100 0.196 -1.663) 1.677 26.085 ( -1.256 7.431 0.810) 7.580 26.170 ( -1.278 6.243 -2.578) 6.874 26.469 ( 0.698 -7.837 0.016) 7.868 26.497 ( 0.467 -6.470 -0.880) 6.546 27.165 ( 0.530 0.911 -3.070) 3.246 27.208 ( 1.562 -0.586 -2.339) 2.873 27.259 ( -2.273 0.218 -2.775) 3.594 27.307 ( -0.225 -1.510 -2.189) 2.668 27.340 ( 0.063 1.264 -1.125) 1.693 27.402 ( 0.814 -1.199 -0.178) 1.460 27.420 ( 0.090 0.862 0.234) 0.897 27.451 ( 0.182 -0.260 1.048) 1.095 31.222 ( 0.084 0.465 0.978) 1.086 31.235 ( -1.000 -0.255 1.307) 1.666 31.291 ( 0.199 0.010 -0.213) 0.292 31.309 ( -0.018 -0.230 -0.747) 0.782 31.387 ( -0.386 4.787 2.952) 5.638 31.500 ( 0.016 7.948 -1.278) 8.050 31.670 ( -0.324 -5.589 3.680) 6.699 31.828 ( -1.312 -5.372 -1.949) 5.863 33.443 ( 1.924 0.679 -0.329) 2.067 33.489 ( 2.312 -1.402 0.578) 2.765 33.573 ( 3.723 0.942 -4.190) 5.684 33.620 ( 5.055 -0.773 -4.187) 6.609 33.785 ( -1.084 0.410 1.951) 2.269 33.794 ( -1.891 0.061 2.048) 2.788 34.005 ( -2.878 0.179 -4.945) 5.724 34.013 ( -1.612 -0.123 -3.657) 3.998 34.164 ( -0.368 2.150 5.608) 6.018 34.311 ( -0.795 -3.730 4.379) 5.807 34.381 ( -0.713 1.004 -0.171) 1.243 34.433 ( -2.178 -1.006 3.141) 3.952 35.294 ( 1.206 0.123 10.149) 10.221 35.309 ( 0.715 -0.491 4.251) 4.339 35.623 ( 1.880 8.425 -5.066) 10.009 35.970 ( 3.495 -5.065 -11.800) 13.309 36.707 ( 0.253 1.976 15.494) 15.621 36.769 ( 0.069 2.028 13.115) 13.271 36.816 ( 0.355 -1.492 14.915) 14.994 37.023 ( 0.873 -10.165 10.402) 14.570 37.953 ( -0.566 0.410 -5.858) 5.899 38.000 ( -0.977 -2.695 -10.079) 10.478 38.147 ( 0.478 2.884 -14.082) 14.382 38.222 ( 1.257 -0.870 -15.412) 15.487 ======================= Grid point 60 (25/36) ======================= q-point: ( 0.00 -0.50 0.29) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 0.000 -14.715 14.748) 20.833 1.603 ( 0.000 14.715 14.748) 20.833 1.771 ( 0.000 -18.296 19.463) 26.713 1.771 ( 0.000 18.296 19.463) 26.713 2.154 ( 0.000 -2.341 5.368) 5.856 2.154 ( 0.000 2.341 5.368) 5.856 2.232 ( 0.000 -2.021 4.772) 5.182 2.232 ( 0.000 2.021 4.772) 5.182 2.358 ( 0.000 -4.071 4.113) 5.787 2.358 ( 0.000 4.071 4.113) 5.787 2.598 ( 0.000 -2.362 2.146) 3.192 2.598 ( 0.000 2.362 2.146) 3.192 2.611 ( 0.000 -5.030 -0.902) 5.111 2.611 ( 0.000 5.030 -0.902) 5.111 2.815 ( 0.000 -6.853 14.604) 16.132 2.815 ( 0.000 6.853 14.604) 16.132 2.976 ( 0.000 -3.423 -6.351) 7.215 2.976 ( 0.000 3.423 -6.351) 7.215 3.024 ( 0.000 -0.572 -1.884) 1.969 3.024 ( 0.000 0.572 -1.884) 1.969 3.139 ( 0.000 -12.983 6.046) 14.322 3.139 ( 0.000 12.983 6.046) 14.322 3.181 ( 0.000 -4.482 0.216) 4.487 3.181 ( 0.000 4.482 0.216) 4.487 3.291 ( 0.000 -0.363 -1.701) 1.739 3.291 ( 0.000 0.363 -1.701) 1.739 3.326 ( 0.000 -4.814 4.784) 6.787 3.326 ( 0.000 4.814 4.784) 6.787 3.488 ( 0.000 -0.993 0.905) 1.344 3.488 ( 0.000 0.993 0.905) 1.344 3.574 ( 0.000 -2.355 3.736) 4.416 3.574 ( 0.000 2.355 3.736) 4.416 3.649 ( 0.000 -2.881 1.763) 3.377 3.649 ( 0.000 2.881 1.763) 3.377 3.730 ( 0.000 -0.440 1.879) 1.930 3.730 ( 0.000 0.440 1.879) 1.930 3.804 ( 0.000 -4.576 6.618) 8.046 3.804 ( 0.000 4.576 6.618) 8.046 3.872 ( 0.000 -1.765 -1.801) 2.522 3.872 ( 0.000 1.765 -1.801) 2.522 3.990 ( 0.000 -4.655 -0.511) 4.683 3.990 ( 0.000 4.655 -0.511) 4.683 4.064 ( 0.000 -0.514 -0.763) 0.920 4.064 ( 0.000 0.514 -0.763) 0.920 4.261 ( 0.000 -0.875 -1.224) 1.505 4.261 ( 0.000 0.875 -1.224) 1.505 4.371 ( 0.000 -4.428 5.391) 6.976 4.371 ( 0.000 4.428 5.391) 6.976 4.541 ( 0.000 -0.119 -2.876) 2.878 4.541 ( 0.000 0.119 -2.876) 2.878 4.753 ( 0.000 -2.424 -8.024) 8.382 4.753 ( 0.000 2.424 -8.024) 8.382 4.948 ( 0.000 -3.240 0.525) 3.282 4.948 ( 0.000 3.240 0.525) 3.282 5.014 ( 0.000 -2.838 5.859) 6.510 5.014 ( 0.000 2.838 5.859) 6.510 5.180 ( 0.000 -3.066 -0.066) 3.067 5.180 ( 0.000 3.066 -0.066) 3.067 5.239 ( 0.000 -2.346 -1.331) 2.697 5.239 ( 0.000 2.346 -1.331) 2.697 5.252 ( 0.000 -1.480 1.027) 1.801 5.252 ( 0.000 1.480 1.027) 1.801 5.705 ( 0.000 -5.990 5.436) 8.089 5.705 ( 0.000 5.990 5.436) 8.089 5.825 ( 0.000 -7.783 -5.645) 9.615 5.825 ( 0.000 7.783 -5.645) 9.615 5.868 ( 0.000 -1.850 9.771) 9.944 5.868 ( 0.000 1.850 9.771) 9.944 6.015 ( 0.000 -4.091 6.803) 7.938 6.015 ( 0.000 4.091 6.803) 7.938 6.222 ( 0.000 -0.743 6.492) 6.535 6.222 ( 0.000 0.743 6.492) 6.535 6.388 ( 0.000 -12.037 10.950) 16.272 6.388 ( 0.000 12.037 10.950) 16.272 6.565 ( 0.000 -8.275 -0.552) 8.293 6.565 ( 0.000 8.275 -0.552) 8.293 6.705 ( 0.000 -11.338 1.614) 11.452 6.705 ( 0.000 11.338 1.614) 11.452 6.800 ( 0.000 -5.576 -5.656) 7.943 6.800 ( 0.000 5.576 -5.656) 7.943 6.923 ( 0.000 -4.827 -6.072) 7.757 6.923 ( 0.000 4.827 -6.072) 7.757 7.149 ( 0.000 -4.446 -2.053) 4.897 7.149 ( 0.000 4.446 -2.053) 4.897 7.192 ( 0.000 -5.302 -3.642) 6.433 7.192 ( 0.000 5.302 -3.642) 6.433 7.361 ( 0.000 -0.290 -1.058) 1.097 7.361 ( 0.000 0.290 -1.058) 1.097 7.552 ( 0.000 -0.909 1.911) 2.116 7.552 ( 0.000 0.909 1.911) 2.116 7.691 ( 0.000 -1.889 -1.263) 2.272 7.691 ( 0.000 1.889 -1.263) 2.272 7.796 ( 0.000 -1.177 -6.905) 7.005 7.796 ( 0.000 1.177 -6.905) 7.005 7.905 ( 0.000 -4.130 -6.281) 7.517 7.905 ( 0.000 4.130 -6.281) 7.517 8.228 ( 0.000 -11.063 -3.258) 11.532 8.228 ( 0.000 11.063 -3.258) 11.532 8.385 ( 0.000 -0.976 2.055) 2.275 8.385 ( 0.000 0.976 2.055) 2.275 8.456 ( 0.000 -5.917 -2.162) 6.299 8.456 ( 0.000 5.917 -2.162) 6.299 9.036 ( 0.000 -6.029 0.395) 6.042 9.036 ( 0.000 6.029 0.395) 6.042 9.214 ( 0.000 -4.747 -2.605) 5.415 9.214 ( 0.000 4.747 -2.605) 5.415 9.426 ( 0.000 -6.132 -8.829) 10.749 9.426 ( 0.000 6.132 -8.829) 10.749 9.547 ( 0.000 -1.611 5.660) 5.884 9.547 ( 0.000 1.611 5.660) 5.884 9.941 ( 0.000 -0.436 -3.692) 3.718 9.941 ( 0.000 0.436 -3.692) 3.718 10.040 ( 0.000 -2.712 4.270) 5.058 10.040 ( 0.000 2.712 4.270) 5.058 10.487 ( 0.000 -0.850 -3.582) 3.682 10.487 ( 0.000 0.850 -3.582) 3.682 10.860 ( 0.000 -0.821 -1.997) 2.159 10.860 ( 0.000 0.821 -1.997) 2.159 11.197 ( 0.000 -1.493 -3.380) 3.695 11.197 ( 0.000 1.493 -3.380) 3.695 13.235 ( 0.000 -0.210 -3.698) 3.704 13.235 ( 0.000 0.210 -3.698) 3.704 13.344 ( 0.000 -2.251 -6.372) 6.758 13.344 ( 0.000 2.251 -6.372) 6.758 13.859 ( 0.000 -2.993 10.953) 11.354 13.859 ( 0.000 2.993 10.953) 11.354 14.132 ( 0.000 -0.176 3.489) 3.493 14.132 ( 0.000 0.176 3.489) 3.493 15.210 ( 0.000 -0.590 10.868) 10.884 15.210 ( 0.000 0.590 10.868) 10.884 15.518 ( 0.000 -0.756 2.123) 2.254 15.518 ( 0.000 0.756 2.123) 2.254 15.772 ( 0.000 -0.792 -3.755) 3.837 15.772 ( 0.000 0.792 -3.755) 3.837 15.901 ( 0.000 -1.168 -6.228) 6.337 15.901 ( 0.000 1.168 -6.228) 6.337 16.799 ( 0.000 -1.339 6.354) 6.493 16.799 ( 0.000 1.339 6.354) 6.493 17.001 ( 0.000 -7.294 2.811) 7.817 17.001 ( 0.000 7.294 2.811) 7.817 17.247 ( 0.000 -5.184 -3.510) 6.261 17.247 ( 0.000 5.184 -3.510) 6.261 17.383 ( 0.000 -4.009 -5.072) 6.465 17.383 ( 0.000 4.009 -5.072) 6.465 17.703 ( 0.000 -3.727 6.053) 7.108 17.703 ( 0.000 3.727 6.053) 7.108 17.854 ( 0.000 -1.672 2.108) 2.691 17.854 ( 0.000 1.672 2.108) 2.691 19.156 ( 0.000 -0.528 0.721) 0.894 19.156 ( 0.000 0.528 0.721) 0.894 19.259 ( 0.000 -2.215 -2.536) 3.367 19.259 ( 0.000 2.215 -2.536) 3.367 20.042 ( 0.000 -0.477 1.195) 1.287 20.042 ( 0.000 0.477 1.195) 1.287 20.089 ( 0.000 -0.255 0.304) 0.397 20.089 ( 0.000 0.255 0.304) 0.397 20.130 ( 0.000 -3.112 1.668) 3.530 20.130 ( 0.000 3.112 1.668) 3.530 20.331 ( 0.000 -4.591 -4.273) 6.271 20.331 ( 0.000 4.591 -4.273) 6.271 21.323 ( 0.000 -1.465 -1.643) 2.201 21.323 ( 0.000 1.465 -1.643) 2.201 21.377 ( 0.000 -0.164 -3.827) 3.830 21.377 ( 0.000 0.164 -3.827) 3.830 22.005 ( 0.000 -0.293 0.389) 0.487 22.005 ( 0.000 0.293 0.389) 0.487 22.011 ( 0.000 -0.085 0.362) 0.372 22.011 ( 0.000 0.085 0.362) 0.372 23.537 ( 0.000 -0.592 -0.353) 0.689 23.537 ( 0.000 0.592 -0.353) 0.689 23.601 ( 0.000 -0.057 -2.559) 2.560 23.601 ( 0.000 0.057 -2.559) 2.560 26.281 ( 0.000 -6.836 0.931) 6.900 26.281 ( 0.000 6.836 0.931) 6.900 26.358 ( 0.000 -6.519 -1.639) 6.722 26.358 ( 0.000 6.519 -1.639) 6.722 27.179 ( 0.000 -1.025 -1.584) 1.887 27.179 ( 0.000 1.025 -1.584) 1.887 27.293 ( 0.000 -1.247 1.928) 2.296 27.293 ( 0.000 1.247 1.928) 2.296 27.365 ( 0.000 -1.040 -3.307) 3.466 27.365 ( 0.000 1.040 -3.307) 3.466 27.431 ( 0.000 -0.213 -1.425) 1.441 27.431 ( 0.000 0.213 -1.425) 1.441 31.258 ( 0.000 -0.733 1.624) 1.782 31.258 ( 0.000 0.733 1.624) 1.782 31.309 ( 0.000 -0.087 -0.442) 0.451 31.309 ( 0.000 0.087 -0.442) 0.451 31.498 ( 0.000 -7.030 4.291) 8.236 31.498 ( 0.000 7.030 4.291) 8.236 31.757 ( 0.000 -8.542 -5.230) 10.016 31.757 ( 0.000 8.542 -5.230) 10.016 33.360 ( 0.000 -1.482 -0.665) 1.624 33.360 ( 0.000 1.482 -0.665) 1.624 33.390 ( 0.000 -0.229 -2.853) 2.862 33.390 ( 0.000 0.229 -2.853) 2.862 33.853 ( 0.000 -1.053 3.228) 3.396 33.853 ( 0.000 1.053 3.228) 3.396 34.085 ( 0.000 -0.824 -3.508) 3.604 34.085 ( 0.000 0.824 -3.508) 3.604 34.263 ( 0.000 -5.232 5.683) 7.725 34.263 ( 0.000 5.232 5.683) 7.725 34.488 ( 0.000 -5.203 0.991) 5.297 34.488 ( 0.000 5.203 0.991) 5.297 35.246 ( 0.000 -1.299 6.821) 6.943 35.246 ( 0.000 1.299 6.821) 6.943 35.610 ( 0.000 -2.756 -4.176) 5.003 35.610 ( 0.000 2.756 -4.176) 5.003 36.749 ( 0.000 -3.174 15.102) 15.432 36.749 ( 0.000 3.174 15.102) 15.432 36.819 ( 0.000 -4.172 15.751) 16.294 36.819 ( 0.000 4.172 15.751) 16.294 38.075 ( 0.000 -2.098 -10.764) 10.966 38.075 ( 0.000 2.098 -10.764) 10.966 38.094 ( 0.000 -0.689 -11.817) 11.837 38.094 ( 0.000 0.689 -11.817) 11.837 ======================= Grid point 62 (26/36) ======================= q-point: ( 0.20 -0.50 0.29) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 3.965 -13.799 13.120) 19.450 1.632 ( 3.965 13.799 13.120) 19.450 1.852 ( 7.294 -15.367 18.302) 24.986 1.852 ( 7.294 15.367 18.302) 24.986 2.093 ( -3.115 -1.878 4.073) 5.461 2.093 ( -3.115 1.878 4.073) 5.461 2.248 ( -0.145 -3.907 5.683) 6.898 2.248 ( -0.145 3.907 5.683) 6.898 2.401 ( 1.912 -4.471 4.815) 6.843 2.401 ( 1.912 4.471 4.815) 6.843 2.542 ( -5.873 -7.162 3.412) 9.870 2.542 ( -5.873 7.162 3.412) 9.870 2.605 ( 1.044 -1.204 -3.209) 3.583 2.605 ( 1.044 1.204 -3.209) 3.583 2.786 ( -4.008 -0.609 6.755) 7.878 2.786 ( -4.008 0.609 6.755) 7.878 2.923 ( -6.240 -4.507 -3.691) 8.537 2.923 ( -6.240 4.507 -3.691) 8.537 3.021 ( 0.772 -2.790 -2.155) 3.609 3.021 ( 0.772 2.790 -2.155) 3.609 3.091 ( -2.154 -6.278 2.409) 7.061 3.091 ( -2.154 6.278 2.409) 7.061 3.197 ( -1.252 -3.804 3.453) 5.288 3.197 ( -1.252 3.804 3.453) 5.288 3.274 ( -1.343 -5.854 3.220) 6.815 3.274 ( -1.343 5.854 3.220) 6.815 3.318 ( 1.717 -1.457 0.833) 2.401 3.318 ( 1.717 1.457 0.833) 2.401 3.482 ( -1.925 -4.712 -2.299) 5.586 3.482 ( -1.925 4.712 -2.299) 5.586 3.578 ( -0.240 -4.668 5.359) 7.111 3.578 ( -0.240 4.668 5.359) 7.111 3.655 ( 2.456 -0.792 2.224) 3.407 3.655 ( 2.456 0.792 2.224) 3.407 3.747 ( 2.506 -3.656 2.894) 5.294 3.747 ( 2.506 3.656 2.894) 5.294 3.832 ( 2.436 -3.286 4.945) 6.418 3.832 ( 2.436 3.286 4.945) 6.418 3.859 ( -1.749 -1.444 0.070) 2.269 3.859 ( -1.749 1.444 0.070) 2.269 4.005 ( 2.158 -2.443 -0.017) 3.260 4.005 ( 2.158 2.443 -0.017) 3.260 4.116 ( 3.937 -3.020 -0.281) 4.970 4.116 ( 3.937 3.020 -0.281) 4.970 4.279 ( 0.772 -2.875 -0.627) 3.042 4.279 ( 0.772 2.875 -0.627) 3.042 4.360 ( -0.915 -3.769 5.050) 6.367 4.360 ( -0.915 3.769 5.050) 6.367 4.541 ( -0.214 -2.295 -4.578) 5.126 4.541 ( -0.214 2.295 -4.578) 5.126 4.719 ( -2.505 -0.927 -5.189) 5.836 4.719 ( -2.505 0.927 -5.189) 5.836 4.914 ( -2.507 -5.884 2.314) 6.801 4.914 ( -2.507 5.884 2.314) 6.801 5.043 ( 0.959 -5.608 3.333) 6.594 5.043 ( 0.959 5.608 3.333) 6.594 5.155 ( -1.825 -2.513 -2.705) 4.119 5.155 ( -1.825 2.513 -2.705) 4.119 5.221 ( -1.467 -2.982 0.945) 3.455 5.221 ( -1.467 2.982 0.945) 3.455 5.299 ( 3.941 -3.065 3.206) 5.933 5.299 ( 3.941 3.065 3.206) 5.933 5.724 ( 1.850 -6.894 7.104) 10.071 5.724 ( 1.850 6.894 7.104) 10.071 5.856 ( 2.040 -5.381 -1.067) 5.853 5.856 ( 2.040 5.381 -1.067) 5.853 5.915 ( 4.000 -1.122 8.267) 9.252 5.915 ( 4.000 1.122 8.267) 9.252 6.089 ( 6.964 -4.022 3.954) 8.961 6.089 ( 6.964 4.022 3.954) 8.961 6.223 ( -0.132 -2.270 7.210) 7.560 6.223 ( -0.132 2.270 7.210) 7.560 6.382 ( -0.745 -9.176 10.670) 14.092 6.382 ( -0.745 9.176 10.670) 14.092 6.598 ( 2.839 -4.562 -0.652) 5.413 6.598 ( 2.839 4.562 -0.652) 5.413 6.694 ( -0.778 -10.122 1.271) 10.231 6.694 ( -0.778 10.122 1.271) 10.231 6.805 ( 1.069 -3.693 -5.104) 6.390 6.805 ( 1.069 3.693 -5.104) 6.390 6.914 ( -2.079 -3.409 -4.935) 6.348 6.914 ( -2.079 3.409 -4.935) 6.348 7.092 ( -3.251 -5.691 -4.755) 8.098 7.092 ( -3.251 5.691 -4.755) 8.098 7.233 ( 2.198 -4.605 -3.006) 5.923 7.233 ( 2.198 4.605 -3.006) 5.923 7.347 ( -1.560 -3.174 -0.870) 3.642 7.347 ( -1.560 3.174 -0.870) 3.642 7.491 ( -1.797 -6.717 2.956) 7.555 7.491 ( -1.797 6.717 2.956) 7.555 7.623 ( -4.502 -5.377 -4.948) 8.583 7.623 ( -4.502 5.377 -4.948) 8.583 7.857 ( -0.666 -6.184 -4.482) 7.666 7.857 ( -0.666 6.184 -4.482) 7.666 7.888 ( 1.130 -2.274 -10.824) 11.118 7.888 ( 1.130 2.274 -10.824) 11.118 8.306 ( 2.398 -7.459 2.107) 8.114 8.306 ( 2.398 7.459 2.107) 8.114 8.407 ( 8.849 -5.174 -0.127) 10.251 8.407 ( 8.849 5.174 -0.127) 10.251 8.578 ( 7.613 -7.511 -1.588) 10.811 8.578 ( 7.613 7.511 -1.588) 10.811 9.015 ( -1.528 -5.376 1.082) 5.693 9.015 ( -1.528 5.376 1.082) 5.693 9.091 ( -10.583 -6.724 -1.608) 12.641 9.091 ( -10.583 6.724 -1.608) 12.641 9.395 ( -0.534 -4.102 -3.429) 5.373 9.395 ( -0.534 4.102 -3.429) 5.373 9.577 ( -2.267 -2.824 1.644) 3.977 9.577 ( -2.267 2.824 1.644) 3.977 9.962 ( 0.207 -2.148 -2.329) 3.175 9.962 ( 0.207 2.148 -2.329) 3.175 9.995 ( -0.341 -5.123 3.734) 6.348 9.995 ( -0.341 5.123 3.734) 6.348 10.405 ( -6.756 -4.703 0.081) 8.232 10.405 ( -6.756 4.703 0.081) 8.232 10.834 ( -2.041 -4.989 -4.278) 6.882 10.834 ( -2.041 4.989 -4.278) 6.882 11.162 ( -3.181 -3.656 -6.284) 7.935 11.162 ( -3.181 3.656 -6.284) 7.935 13.249 ( 1.426 -1.233 -3.113) 3.640 13.249 ( 1.426 1.233 -3.113) 3.640 13.383 ( 3.077 -1.307 -6.646) 7.439 13.383 ( 3.077 1.307 -6.646) 7.439 13.809 ( -4.090 -1.933 10.370) 11.313 13.809 ( -4.090 1.933 10.370) 11.313 14.078 ( -4.369 -0.791 1.850) 4.810 14.078 ( -4.369 0.791 1.850) 4.810 15.252 ( 3.344 -1.927 12.175) 12.772 15.252 ( 3.344 1.927 12.175) 12.772 15.563 ( 4.720 -1.311 0.837) 4.970 15.563 ( 4.720 1.311 0.837) 4.970 15.838 ( 4.604 -2.123 -2.056) 5.471 15.838 ( 4.604 2.123 -2.056) 5.471 15.896 ( -0.744 -1.490 -5.695) 5.934 15.896 ( -0.744 1.490 -5.695) 5.934 16.775 ( -2.086 -1.133 5.436) 5.932 16.775 ( -2.086 1.133 5.436) 5.932 16.977 ( -1.742 -6.607 2.333) 7.220 16.977 ( -1.742 6.607 2.333) 7.220 17.232 ( -3.354 -1.883 -4.212) 5.705 17.232 ( -3.354 1.883 -4.212) 5.705 17.348 ( -0.767 -7.047 -4.793) 8.557 17.348 ( -0.767 7.047 -4.793) 8.557 17.743 ( 2.858 -2.441 5.995) 7.076 17.743 ( 2.858 2.441 5.995) 7.076 17.854 ( 0.034 -1.729 3.147) 3.591 17.854 ( 0.034 1.729 3.147) 3.591 19.154 ( -0.149 -0.619 0.826) 1.043 19.154 ( -0.149 0.619 0.826) 1.043 19.261 ( 0.128 -2.833 -2.548) 3.812 19.261 ( 0.128 2.833 -2.548) 3.812 20.042 ( -0.001 -0.271 1.211) 1.241 20.042 ( -0.001 0.271 1.211) 1.241 20.086 ( -0.181 -0.427 0.247) 0.526 20.086 ( -0.181 0.427 0.247) 0.526 20.145 ( 1.152 -1.316 1.389) 2.233 20.145 ( 1.152 1.316 1.389) 2.233 20.331 ( 0.056 -2.808 -3.853) 4.768 20.331 ( 0.056 2.808 -3.853) 4.768 21.323 ( -0.039 -0.939 -1.857) 2.081 21.323 ( -0.039 0.939 -1.857) 2.081 21.365 ( -0.902 -0.592 -3.316) 3.487 21.365 ( -0.902 0.592 -3.316) 3.487 22.004 ( -0.101 -0.305 0.393) 0.508 22.004 ( -0.101 0.305 0.393) 0.508 22.009 ( -0.175 -0.095 0.364) 0.415 22.009 ( -0.175 0.095 0.364) 0.415 23.542 ( 0.411 -0.544 -0.393) 0.787 23.542 ( 0.411 0.544 -0.393) 0.787 23.599 ( -0.144 -0.196 -2.263) 2.276 23.599 ( -0.144 0.196 -2.263) 2.276 26.279 ( -0.183 -8.511 0.751) 8.546 26.279 ( -0.183 8.511 0.751) 8.546 26.348 ( -0.892 -7.528 -1.667) 7.761 26.348 ( -0.892 7.528 -1.667) 7.761 27.176 ( 0.108 -1.014 -1.864) 2.125 27.176 ( 0.108 1.014 -1.864) 2.125 27.295 ( -0.340 -0.614 0.016) 0.702 27.295 ( -0.340 0.614 0.016) 0.702 27.363 ( 0.143 -0.946 -2.315) 2.506 27.363 ( 0.143 0.946 -2.315) 2.506 27.434 ( 0.287 -0.687 -0.454) 0.872 27.434 ( 0.287 0.687 -0.454) 0.872 31.245 ( -1.019 -0.795 1.426) 1.924 31.245 ( -1.019 0.795 1.426) 1.924 31.306 ( -0.284 -0.490 -0.619) 0.839 31.306 ( -0.284 0.490 -0.619) 0.839 31.508 ( 0.793 -7.155 4.142) 8.305 31.508 ( 0.793 7.155 4.142) 8.305 31.724 ( -2.510 -8.590 -3.628) 9.657 31.724 ( -2.510 8.590 -3.628) 9.657 33.401 ( 3.009 -0.532 -0.656) 3.126 33.401 ( 3.009 0.532 -0.656) 3.126 33.469 ( 6.806 -0.805 -3.777) 7.825 33.469 ( 6.806 0.805 -3.777) 7.825 33.832 ( -1.854 -0.773 2.799) 3.445 33.832 ( -1.854 0.773 2.799) 3.445 34.062 ( -2.186 -0.681 -3.814) 4.448 34.062 ( -2.186 0.681 -3.814) 4.448 34.248 ( -1.207 -4.680 5.607) 7.403 34.248 ( -1.207 4.680 5.607) 7.403 34.452 ( -2.692 -3.205 1.179) 4.349 34.452 ( -2.692 3.205 1.179) 4.349 35.267 ( 1.720 -0.879 7.067) 7.327 35.267 ( 1.720 0.879 7.067) 7.327 35.701 ( 6.934 -6.958 -6.732) 11.909 35.701 ( 6.934 6.958 -6.732) 11.909 36.757 ( 0.629 -3.209 15.045) 15.396 36.757 ( 0.629 3.209 15.045) 15.396 36.827 ( 0.702 -4.931 15.235) 16.028 36.827 ( 0.702 4.931 15.235) 16.028 38.009 ( -3.127 -1.213 -8.854) 9.468 38.009 ( -3.127 1.213 -8.854) 9.468 38.156 ( 2.781 -1.150 -13.718) 14.044 38.156 ( 2.781 1.150 -13.718) 14.044 ======================= Grid point 64 (27/36) ======================= q-point: ( 0.40 -0.50 0.29) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 8.113 -7.851 7.867) 13.760 1.778 ( 8.113 7.851 7.867) 13.760 1.997 ( 3.246 -5.502 11.739) 13.365 1.997 ( 3.246 5.502 11.739) 13.365 2.081 ( 2.677 -6.522 3.527) 7.883 2.081 ( 2.677 6.522 3.527) 7.883 2.212 ( -2.167 -1.864 8.062) 8.554 2.212 ( -2.167 1.864 8.062) 8.554 2.348 ( -6.310 -4.006 6.006) 9.588 2.348 ( -6.310 4.006 6.006) 9.588 2.443 ( -1.987 -7.260 7.030) 10.299 2.443 ( -1.987 7.260 7.030) 10.299 2.635 ( -1.323 -1.438 -1.202) 2.294 2.635 ( -1.323 1.438 -1.202) 2.294 2.690 ( -1.438 -2.897 4.984) 5.941 2.690 ( -1.438 2.897 4.984) 5.941 2.806 ( -3.082 -2.583 -2.902) 4.959 2.806 ( -3.082 2.583 -2.902) 4.959 2.975 ( -2.697 -2.765 -6.075) 7.199 2.975 ( -2.697 2.765 -6.075) 7.199 3.077 ( -1.337 -4.237 -0.639) 4.488 3.077 ( -1.337 4.237 -0.639) 4.488 3.155 ( -1.420 -1.686 -1.549) 2.694 3.155 ( -1.420 1.686 -1.549) 2.694 3.260 ( 0.587 -2.710 0.755) 2.874 3.260 ( 0.587 2.710 0.755) 2.874 3.345 ( 0.351 -1.348 -3.272) 3.556 3.345 ( 0.351 1.348 -3.272) 3.556 3.487 ( 0.784 -5.962 3.139) 6.784 3.487 ( 0.784 5.962 3.139) 6.784 3.610 ( 1.975 -5.263 5.962) 8.194 3.610 ( 1.975 5.263 5.962) 8.194 3.697 ( 2.629 -1.066 1.780) 3.349 3.697 ( 2.629 1.066 1.780) 3.349 3.767 ( -1.325 -2.078 -2.463) 3.484 3.767 ( -1.325 2.078 -2.463) 3.484 3.838 ( 0.124 -2.109 6.703) 7.028 3.838 ( 0.124 2.109 6.703) 7.028 3.913 ( 4.665 -2.323 4.668) 6.997 3.913 ( 4.665 2.323 4.668) 6.997 4.039 ( -0.477 -1.817 0.857) 2.065 4.039 ( -0.477 1.817 0.857) 2.065 4.186 ( 2.181 -1.551 0.889) 2.819 4.186 ( 2.181 1.551 0.889) 2.819 4.265 ( -1.464 -1.356 4.932) 5.320 4.265 ( -1.464 1.356 4.932) 5.320 4.346 ( -0.126 -1.476 1.858) 2.376 4.346 ( -0.126 1.476 1.858) 2.376 4.543 ( 0.580 -2.197 -4.556) 5.091 4.543 ( 0.580 2.197 -4.556) 5.091 4.663 ( -2.520 -0.991 -3.602) 4.506 4.663 ( -2.520 0.991 -3.602) 4.506 4.880 ( -0.348 -4.715 2.539) 5.366 4.880 ( -0.348 4.715 2.539) 5.366 5.008 ( -2.794 -5.060 0.708) 5.823 5.008 ( -2.794 5.060 0.708) 5.823 5.140 ( 0.006 -2.178 -3.041) 3.740 5.140 ( 0.006 2.178 -3.041) 3.740 5.212 ( 0.348 -2.992 5.467) 6.242 5.212 ( 0.348 2.992 5.467) 6.242 5.358 ( 1.423 -1.713 3.628) 4.257 5.358 ( 1.423 1.713 3.628) 4.257 5.768 ( 1.651 -9.594 9.940) 13.914 5.768 ( 1.651 9.594 9.940) 13.914 5.890 ( 0.982 -3.726 0.517) 3.888 5.890 ( 0.982 3.726 0.517) 3.888 5.986 ( 2.183 -4.500 11.258) 12.319 5.986 ( 2.183 4.500 11.258) 12.319 6.181 ( -0.364 -3.786 6.345) 7.398 6.181 ( -0.364 3.786 6.345) 7.398 6.272 ( 3.499 -2.583 6.892) 8.149 6.272 ( 3.499 2.583 6.892) 8.149 6.386 ( 3.153 -4.020 1.588) 5.351 6.386 ( 3.153 4.020 1.588) 5.351 6.626 ( -1.443 -2.692 0.185) 3.061 6.626 ( -1.443 2.692 0.185) 3.061 6.702 ( 2.178 -3.742 -0.092) 4.331 6.702 ( 2.178 3.742 -0.092) 4.331 6.825 ( -1.513 -4.761 -3.731) 6.235 6.825 ( -1.513 4.761 -3.731) 6.235 6.864 ( -0.110 -3.602 -2.230) 4.237 6.864 ( -0.110 3.602 -2.230) 4.237 7.027 ( -2.496 -5.135 -3.280) 6.584 7.027 ( -2.496 5.135 -3.280) 6.584 7.247 ( -0.590 -2.897 -3.365) 4.479 7.247 ( -0.590 2.897 -3.365) 4.479 7.334 ( 0.663 -2.987 -5.795) 6.553 7.334 ( 0.663 2.987 -5.795) 6.553 7.482 ( -1.444 -5.820 -0.676) 6.034 7.482 ( -1.444 5.820 -0.676) 6.034 7.586 ( 1.964 -6.471 -0.649) 6.794 7.586 ( 1.964 6.471 -0.649) 6.794 7.821 ( -1.586 -2.833 -6.108) 6.917 7.821 ( -1.586 2.833 -6.108) 6.917 7.886 ( -1.026 -0.835 -12.709) 12.778 7.886 ( -1.026 0.835 -12.709) 12.778 8.385 ( 5.661 -5.529 5.651) 9.724 8.385 ( 5.661 5.529 5.651) 9.724 8.581 ( 1.676 -4.050 3.725) 5.752 8.581 ( 1.676 4.050 3.725) 5.752 8.688 ( 3.263 -7.634 -4.165) 9.289 8.688 ( 3.263 7.634 -4.165) 9.289 8.882 ( -5.576 -4.686 -4.069) 8.343 8.882 ( -5.576 4.686 -4.069) 8.343 9.027 ( 2.014 -4.636 7.882) 9.364 9.027 ( 2.014 4.636 7.882) 9.364 9.374 ( -1.644 -2.542 -4.488) 5.414 9.374 ( -1.644 2.542 -4.488) 5.414 9.465 ( -5.474 -8.091 1.700) 9.916 9.465 ( -5.474 8.091 1.700) 9.916 9.883 ( -2.885 -2.236 1.413) 3.914 9.883 ( -2.885 2.236 1.413) 3.914 10.108 ( 5.460 -5.414 2.581) 8.111 10.108 ( 5.460 5.414 2.581) 8.111 10.272 ( -4.935 -7.019 3.018) 9.096 10.272 ( -4.935 7.019 3.018) 9.096 10.799 ( -0.949 -10.180 -7.963) 12.959 10.799 ( -0.949 10.180 -7.963) 12.959 11.092 ( -2.576 -6.121 -9.818) 11.853 11.092 ( -2.576 6.121 -9.818) 11.853 13.283 ( 1.289 -2.844 -2.206) 3.823 13.283 ( 1.289 2.844 -2.206) 3.823 13.441 ( 1.926 -0.362 -6.517) 6.805 13.441 ( 1.926 0.362 -6.517) 6.805 13.731 ( -2.521 -0.207 9.559) 9.888 13.731 ( -2.521 0.207 9.559) 9.888 13.998 ( -2.492 -1.465 -1.460) 3.239 13.998 ( -2.492 1.465 -1.460) 3.239 15.311 ( 1.733 -3.697 13.782) 14.374 15.311 ( 1.733 3.697 13.782) 14.374 15.696 ( 7.070 -2.147 -1.168) 7.480 15.696 ( 7.070 2.147 -1.168) 7.480 15.836 ( -4.244 -2.627 -2.770) 5.709 15.836 ( -4.244 2.627 -2.770) 5.709 15.924 ( 2.142 -1.491 -0.739) 2.712 15.924 ( 2.142 1.491 -0.739) 2.712 16.733 ( -1.442 -1.211 3.519) 3.991 16.733 ( -1.442 1.211 3.519) 3.991 16.959 ( 0.241 -6.211 2.933) 6.873 16.959 ( 0.241 6.211 2.933) 6.873 17.128 ( -4.351 -2.803 -5.070) 7.246 17.128 ( -4.351 2.803 -5.070) 7.246 17.364 ( 0.970 -7.943 -5.923) 9.955 17.364 ( 0.970 7.943 -5.923) 9.955 17.787 ( 1.074 -1.074 6.226) 6.408 17.787 ( 1.074 1.074 6.226) 6.408 17.858 ( 0.295 -1.879 4.832) 5.193 17.858 ( 0.295 1.879 4.832) 5.193 19.151 ( -0.061 -0.703 0.951) 1.184 19.151 ( -0.061 0.703 0.951) 1.184 19.262 ( 0.003 -3.403 -2.489) 4.217 19.262 ( 0.003 3.403 -2.489) 4.217 20.042 ( -0.015 -0.219 1.228) 1.248 20.042 ( -0.015 0.219 1.228) 1.248 20.083 ( -0.074 -0.529 0.192) 0.568 20.083 ( -0.074 0.529 0.192) 0.568 20.165 ( 0.571 -3.499 0.946) 3.669 20.165 ( 0.571 3.499 0.946) 3.669 20.334 ( 0.137 -1.491 -3.266) 3.593 20.334 ( 0.137 1.491 -3.266) 3.593 21.320 ( -0.193 -0.399 -2.046) 2.093 21.320 ( -0.193 0.399 -2.046) 2.093 21.351 ( -0.361 -0.478 -2.717) 2.782 21.351 ( -0.361 0.478 -2.717) 2.782 22.002 ( -0.066 -0.312 0.405) 0.515 22.002 ( -0.066 0.312 0.405) 0.515 22.006 ( -0.084 -0.195 0.336) 0.397 22.006 ( -0.084 0.195 0.336) 0.397 23.550 ( 0.270 -0.494 -0.483) 0.742 23.550 ( 0.270 0.494 -0.483) 0.742 23.597 ( -0.067 -0.426 -1.874) 1.923 23.597 ( -0.067 0.426 -1.874) 1.923 26.275 ( -0.196 -10.606 0.419) 10.616 26.275 ( -0.196 10.606 0.419) 10.616 26.332 ( -0.471 -9.111 -1.709) 9.281 26.332 ( -0.471 9.111 -1.709) 9.281 27.188 ( 0.737 -1.279 -2.802) 3.167 27.188 ( 0.737 1.279 -2.802) 3.167 27.276 ( -1.023 -1.375 -2.213) 2.799 27.276 ( -1.023 1.375 -2.213) 2.799 27.371 ( 0.370 -1.685 -0.714) 1.867 27.371 ( 0.370 1.685 -0.714) 1.867 27.440 ( 0.186 -0.875 0.651) 1.106 27.440 ( 0.186 0.875 0.651) 1.106 31.228 ( -0.444 -0.287 1.070) 1.193 31.228 ( -0.444 0.287 1.070) 1.193 31.300 ( -0.180 -0.575 -0.879) 1.066 31.300 ( -0.180 0.575 -0.879) 1.066 31.522 ( 0.376 -7.760 3.938) 8.711 31.522 ( 0.376 7.760 3.938) 8.711 31.682 ( -1.188 -8.693 -1.920) 8.981 31.682 ( -1.188 8.693 -1.920) 8.981 33.462 ( 2.162 -1.213 0.147) 2.483 33.462 ( 2.162 1.213 0.147) 2.483 33.597 ( 4.112 -1.361 -4.254) 6.071 33.597 ( 4.112 1.361 -4.254) 6.071 33.793 ( -1.374 -0.252 1.700) 2.201 33.793 ( -1.374 0.252 1.700) 2.201 34.010 ( -2.092 -0.245 -4.384) 4.864 34.010 ( -2.092 0.245 -4.384) 4.864 34.227 ( -0.608 -4.036 5.427) 6.791 34.227 ( -0.608 4.036 5.427) 6.791 34.407 ( -1.231 -1.482 1.202) 2.270 34.407 ( -1.231 1.482 1.202) 2.270 35.299 ( 1.000 -0.402 7.525) 7.602 35.299 ( 1.000 0.402 7.525) 7.602 35.818 ( 3.292 -9.744 -9.351) 13.900 35.818 ( 3.292 9.744 -9.351) 13.900 36.769 ( 0.350 -3.296 15.045) 15.406 36.769 ( 0.350 3.296 15.045) 15.406 36.841 ( 0.488 -6.234 14.229) 15.542 36.841 ( 0.488 6.234 14.229) 15.542 37.964 ( -1.165 -0.981 -7.607) 7.758 37.964 ( -1.165 0.981 -7.607) 7.758 38.195 ( 0.975 -1.879 -14.996) 15.145 38.195 ( 0.975 1.879 -14.996) 15.145 ======================= Grid point 75 (28/36) ======================= q-point: ( 0.00 0.00 0.43) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 0.000 0.000 22.608) 22.608 1.667 ( 0.000 0.000 23.890) 23.890 1.912 ( 0.000 0.000 -8.256) 8.256 1.998 ( 0.000 0.000 -10.060) 10.060 2.221 ( 0.000 0.000 4.244) 4.244 2.313 ( 0.000 0.000 3.496) 3.496 2.315 ( 0.000 0.000 6.640) 6.640 2.339 ( 0.000 0.000 -6.969) 6.969 2.468 ( 0.000 0.000 3.291) 3.291 2.504 ( 0.000 0.000 -0.860) 0.860 2.523 ( 0.000 0.000 -4.404) 4.404 2.578 ( 0.000 0.000 -5.007) 5.007 2.710 ( 0.000 0.000 8.438) 8.438 2.854 ( 0.000 0.000 -5.548) 5.548 2.926 ( 0.000 0.000 6.058) 6.058 2.935 ( 0.000 0.000 10.741) 10.741 2.960 ( 0.000 0.000 2.360) 2.360 2.979 ( 0.000 0.000 2.500) 2.500 2.996 ( 0.000 0.000 17.979) 17.979 3.077 ( 0.000 0.000 1.928) 1.928 3.093 ( 0.000 0.000 2.109) 2.109 3.127 ( 0.000 0.000 -5.831) 5.831 3.178 ( 0.000 0.000 15.138) 15.138 3.178 ( 0.000 0.000 -7.840) 7.840 3.256 ( 0.000 0.000 7.426) 7.426 3.271 ( 0.000 0.000 -6.502) 6.502 3.294 ( 0.000 0.000 -5.638) 5.638 3.412 ( 0.000 0.000 1.088) 1.088 3.418 ( 0.000 0.000 0.336) 0.336 3.560 ( 0.000 0.000 2.877) 2.877 3.585 ( 0.000 0.000 1.098) 1.098 3.596 ( 0.000 0.000 -2.602) 2.602 3.613 ( 0.000 0.000 -1.424) 1.424 3.672 ( 0.000 0.000 -1.407) 1.407 3.686 ( 0.000 0.000 -13.633) 13.633 3.703 ( 0.000 0.000 -2.864) 2.864 3.830 ( 0.000 0.000 2.966) 2.966 3.853 ( 0.000 0.000 2.158) 2.158 3.864 ( 0.000 0.000 1.876) 1.876 3.900 ( 0.000 0.000 -2.258) 2.258 4.005 ( 0.000 0.000 1.390) 1.390 4.084 ( 0.000 0.000 7.471) 7.471 4.114 ( 0.000 0.000 1.317) 1.317 4.163 ( 0.000 0.000 0.038) 0.038 4.213 ( 0.000 0.000 -1.311) 1.311 4.335 ( 0.000 0.000 -10.549) 10.549 4.419 ( 0.000 0.000 1.941) 1.941 4.446 ( 0.000 0.000 0.073) 0.073 4.473 ( 0.000 0.000 4.307) 4.307 4.632 ( 0.000 0.000 -7.150) 7.150 4.682 ( 0.000 0.000 5.697) 5.697 4.782 ( 0.000 0.000 -1.873) 1.873 4.924 ( 0.000 0.000 5.809) 5.809 4.944 ( 0.000 0.000 0.561) 0.561 4.948 ( 0.000 0.000 1.041) 1.041 5.069 ( 0.000 0.000 -7.899) 7.899 5.089 ( 0.000 0.000 5.782) 5.782 5.101 ( 0.000 0.000 -1.780) 1.780 5.114 ( 0.000 0.000 -2.690) 2.690 5.218 ( 0.000 0.000 -6.364) 6.364 5.470 ( 0.000 0.000 17.410) 17.410 5.488 ( 0.000 0.000 9.174) 9.174 5.605 ( 0.000 0.000 -2.673) 2.673 5.733 ( 0.000 0.000 -9.932) 9.932 5.789 ( 0.000 0.000 2.748) 2.748 5.845 ( 0.000 0.000 2.038) 2.038 5.926 ( 0.000 0.000 4.061) 4.061 5.976 ( 0.000 0.000 -0.359) 0.359 6.010 ( 0.000 0.000 2.394) 2.394 6.052 ( 0.000 0.000 -0.359) 0.359 6.278 ( 0.000 0.000 2.232) 2.232 6.349 ( 0.000 0.000 8.679) 8.679 6.403 ( 0.000 0.000 -9.113) 9.113 6.413 ( 0.000 0.000 14.400) 14.400 6.512 ( 0.000 0.000 -6.924) 6.924 6.592 ( 0.000 0.000 16.720) 16.720 6.640 ( 0.000 0.000 -8.017) 8.017 6.668 ( 0.000 0.000 3.732) 3.732 6.844 ( 0.000 0.000 -9.029) 9.029 6.865 ( 0.000 0.000 -10.407) 10.407 7.057 ( 0.000 0.000 -0.077) 0.077 7.069 ( 0.000 0.000 1.218) 1.218 7.140 ( 0.000 0.000 2.025) 2.025 7.184 ( 0.000 0.000 -2.286) 2.286 7.255 ( 0.000 0.000 2.255) 2.255 7.283 ( 0.000 0.000 -0.537) 0.537 7.317 ( 0.000 0.000 -3.080) 3.080 7.331 ( 0.000 0.000 -5.831) 5.831 7.424 ( 0.000 0.000 2.296) 2.296 7.523 ( 0.000 0.000 -7.528) 7.528 7.544 ( 0.000 0.000 0.941) 0.941 7.573 ( 0.000 0.000 -1.841) 1.841 7.762 ( 0.000 0.000 -4.492) 4.492 7.795 ( 0.000 0.000 9.005) 9.005 7.821 ( 0.000 0.000 -7.090) 7.090 7.863 ( 0.000 0.000 3.629) 3.629 7.997 ( 0.000 0.000 -0.822) 0.822 8.060 ( 0.000 0.000 -4.742) 4.742 8.325 ( 0.000 0.000 2.511) 2.511 8.387 ( 0.000 0.000 -2.827) 2.827 8.529 ( 0.000 0.000 3.780) 3.780 8.696 ( 0.000 0.000 -12.501) 12.501 8.955 ( 0.000 0.000 6.629) 6.629 9.047 ( 0.000 0.000 0.208) 0.208 9.211 ( 0.000 0.000 -1.013) 1.013 9.231 ( 0.000 0.000 -2.744) 2.744 9.238 ( 0.000 0.000 7.551) 7.551 9.379 ( 0.000 0.000 -7.042) 7.042 9.626 ( 0.000 0.000 9.271) 9.271 9.727 ( 0.000 0.000 7.020) 7.020 9.793 ( 0.000 0.000 0.292) 0.292 9.834 ( 0.000 0.000 -8.507) 8.507 10.016 ( 0.000 0.000 2.895) 2.895 10.164 ( 0.000 0.000 -13.066) 13.066 10.220 ( 0.000 0.000 4.251) 4.251 10.337 ( 0.000 0.000 -9.788) 9.788 10.961 ( 0.000 0.000 9.482) 9.482 10.962 ( 0.000 0.000 6.790) 6.790 11.062 ( 0.000 0.000 -3.598) 3.598 11.117 ( 0.000 0.000 -6.815) 6.815 13.176 ( 0.000 0.000 -0.605) 0.605 13.203 ( 0.000 0.000 -3.307) 3.307 13.221 ( 0.000 0.000 1.274) 1.274 13.282 ( 0.000 0.000 -5.153) 5.153 13.965 ( 0.000 0.000 8.604) 8.604 14.096 ( 0.000 0.000 -5.434) 5.434 14.116 ( 0.000 0.000 7.338) 7.338 14.190 ( 0.000 0.000 -0.404) 0.404 15.395 ( 0.000 0.000 7.448) 7.448 15.397 ( 0.000 0.000 10.521) 10.521 15.538 ( 0.000 0.000 -8.011) 8.011 15.581 ( 0.000 0.000 -8.774) 8.774 15.668 ( 0.000 0.000 5.325) 5.325 15.776 ( 0.000 0.000 8.742) 8.742 15.794 ( 0.000 0.000 -8.094) 8.094 15.901 ( 0.000 0.000 -4.421) 4.421 16.755 ( 0.000 0.000 4.456) 4.456 16.826 ( 0.000 0.000 -2.379) 2.379 16.954 ( 0.000 0.000 7.786) 7.786 17.094 ( 0.000 0.000 -6.343) 6.343 17.103 ( 0.000 0.000 5.128) 5.128 17.223 ( 0.000 0.000 -6.896) 6.896 17.337 ( 0.000 0.000 3.340) 3.340 17.417 ( 0.000 0.000 -4.432) 4.432 17.734 ( 0.000 0.000 4.669) 4.669 17.803 ( 0.000 0.000 -2.509) 2.509 17.943 ( 0.000 0.000 3.789) 3.789 17.973 ( 0.000 0.000 0.778) 0.778 19.145 ( 0.000 0.000 0.186) 0.186 19.152 ( 0.000 0.000 -0.530) 0.530 19.199 ( 0.000 0.000 2.189) 2.189 19.247 ( 0.000 0.000 -2.844) 2.844 20.042 ( 0.000 0.000 2.256) 2.256 20.071 ( 0.000 0.000 0.347) 0.347 20.074 ( 0.000 0.000 0.033) 0.033 20.086 ( 0.000 0.000 -1.598) 1.598 20.092 ( 0.000 0.000 1.771) 1.771 20.135 ( 0.000 0.000 -3.302) 3.302 20.271 ( 0.000 0.000 4.056) 4.056 20.352 ( 0.000 0.000 -4.303) 4.303 21.284 ( 0.000 0.000 0.515) 0.515 21.309 ( 0.000 0.000 -2.111) 2.111 21.326 ( 0.000 0.000 -0.971) 0.971 21.330 ( 0.000 0.000 -1.347) 1.347 22.010 ( 0.000 0.000 0.583) 0.583 22.017 ( 0.000 0.000 0.125) 0.125 22.017 ( 0.000 0.000 0.072) 0.072 22.019 ( 0.000 0.000 -0.399) 0.399 23.533 ( 0.000 0.000 0.425) 0.425 23.549 ( 0.000 0.000 -1.289) 1.289 23.554 ( 0.000 0.000 -0.039) 0.039 23.562 ( 0.000 0.000 -1.008) 1.008 26.139 ( 0.000 0.000 1.487) 1.487 26.168 ( 0.000 0.000 -1.586) 1.586 26.479 ( 0.000 0.000 1.141) 1.141 26.504 ( 0.000 0.000 -1.557) 1.557 27.141 ( 0.000 0.000 2.096) 2.096 27.197 ( 0.000 0.000 1.317) 1.317 27.213 ( 0.000 0.000 -5.270) 5.270 27.253 ( 0.000 0.000 -4.541) 4.541 27.378 ( 0.000 0.000 2.118) 2.118 27.386 ( 0.000 0.000 1.984) 1.984 27.403 ( 0.000 0.000 -0.582) 0.582 27.416 ( 0.000 0.000 -0.997) 0.997 31.245 ( 0.000 0.000 2.683) 2.683 31.262 ( 0.000 0.000 0.539) 0.539 31.272 ( 0.000 0.000 -0.504) 0.504 31.296 ( 0.000 0.000 -2.718) 2.718 31.435 ( 0.000 0.000 1.227) 1.227 31.453 ( 0.000 0.000 -0.693) 0.693 31.784 ( 0.000 0.000 4.759) 4.759 31.872 ( 0.000 0.000 -4.563) 4.563 33.314 ( 0.000 0.000 0.010) 0.010 33.328 ( 0.000 0.000 -1.580) 1.580 33.388 ( 0.000 0.000 -0.083) 0.083 33.389 ( 0.000 0.000 -0.190) 0.190 33.902 ( 0.000 0.000 4.508) 4.508 33.951 ( 0.000 0.000 4.377) 4.377 33.988 ( 0.000 0.000 -4.504) 4.504 34.035 ( 0.000 0.000 -4.412) 4.412 34.260 ( 0.000 0.000 5.195) 5.195 34.345 ( 0.000 0.000 -3.668) 3.668 34.492 ( 0.000 0.000 5.340) 5.340 34.603 ( 0.000 0.000 -6.477) 6.477 35.396 ( 0.000 0.000 9.292) 9.292 35.403 ( 0.000 0.000 2.941) 2.941 35.446 ( 0.000 0.000 -1.648) 1.648 35.552 ( 0.000 0.000 -7.125) 7.125 36.922 ( 0.000 0.000 9.750) 9.750 36.958 ( 0.000 0.000 6.257) 6.257 37.089 ( 0.000 0.000 13.533) 13.533 37.221 ( 0.000 0.000 0.925) 0.925 37.837 ( 0.000 0.000 -4.437) 4.437 37.862 ( 0.000 0.000 -8.313) 8.313 37.929 ( 0.000 0.000 -6.340) 6.340 37.939 ( 0.000 0.000 -7.035) 7.035 ======================= Grid point 76 (29/36) ======================= q-point: ( 0.20 0.00 0.43) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 8.093 0.000 18.908) 20.567 1.751 ( 8.132 0.000 19.780) 21.386 1.950 ( 3.533 0.000 -6.514) 7.411 2.001 ( 0.004 0.000 -5.597) 5.597 2.152 ( -5.223 0.000 4.442) 6.856 2.248 ( -3.056 0.000 -2.035) 3.672 2.335 ( 0.498 0.000 4.013) 4.044 2.381 ( -3.098 0.000 2.081) 3.732 2.442 ( 3.173 0.000 -5.301) 6.178 2.469 ( -2.594 0.000 -3.883) 4.670 2.524 ( -1.464 0.000 2.908) 3.256 2.603 ( 1.971 0.000 -2.751) 3.384 2.689 ( -1.930 0.000 6.688) 6.960 2.739 ( -6.351 0.000 3.156) 7.092 2.890 ( -1.597 0.000 4.804) 5.063 2.922 ( -5.702 0.000 5.510) 7.929 2.939 ( -3.793 0.000 1.094) 3.947 2.939 ( -1.468 0.000 9.250) 9.366 2.995 ( -4.280 0.000 -7.446) 8.589 3.055 ( -5.182 0.000 -1.972) 5.545 3.077 ( 3.995 0.000 13.441) 14.022 3.099 ( -0.463 0.000 -0.303) 0.553 3.156 ( -1.550 0.000 -7.600) 7.756 3.201 ( 2.304 0.000 10.658) 10.904 3.247 ( -3.451 0.000 -4.954) 6.038 3.262 ( 0.491 0.000 1.797) 1.863 3.289 ( -0.976 0.000 -1.842) 2.084 3.322 ( -8.955 0.000 -1.042) 9.016 3.389 ( -2.166 0.000 1.076) 2.419 3.461 ( -0.971 0.000 -2.721) 2.889 3.540 ( -3.928 0.000 0.129) 3.930 3.572 ( -3.114 0.000 -2.135) 3.776 3.643 ( 4.157 0.000 0.491) 4.185 3.670 ( 0.859 0.000 0.894) 1.240 3.689 ( 1.087 0.000 -1.071) 1.526 3.736 ( 2.131 0.000 -6.962) 7.281 3.855 ( 1.233 0.000 7.671) 7.769 3.908 ( 3.075 0.000 3.711) 4.820 3.940 ( 3.258 0.000 3.802) 5.007 3.967 ( 4.856 0.000 -2.846) 5.628 4.067 ( 4.839 0.000 -2.548) 5.469 4.109 ( -0.469 0.000 1.073) 1.171 4.181 ( 7.660 0.000 4.579) 8.924 4.193 ( 2.404 0.000 4.921) 5.477 4.248 ( 4.611 0.000 -0.300) 4.620 4.393 ( 3.797 0.000 -9.006) 9.774 4.415 ( -1.657 0.000 -1.026) 1.949 4.444 ( 1.764 0.000 0.406) 1.810 4.467 ( 0.757 0.000 -0.469) 0.890 4.508 ( -9.652 0.000 -2.562) 9.986 4.721 ( 2.230 0.000 4.971) 5.448 4.744 ( -3.803 0.000 0.299) 3.815 4.812 ( -8.796 0.000 -1.987) 9.018 4.874 ( -3.943 0.000 -4.119) 5.702 4.931 ( 0.116 0.000 3.887) 3.889 5.054 ( -1.620 0.000 6.440) 6.641 5.061 ( -0.552 0.000 -7.821) 7.840 5.135 ( -0.881 0.000 1.756) 1.965 5.136 ( -0.401 0.000 -2.670) 2.700 5.230 ( 1.036 0.000 -6.417) 6.500 5.533 ( 3.979 0.000 11.016) 11.712 5.556 ( 6.916 0.000 17.228) 18.565 5.642 ( 2.765 0.000 -0.553) 2.820 5.795 ( 4.413 0.000 -6.937) 8.222 5.799 ( -1.767 0.000 3.471) 3.895 5.838 ( 4.746 0.000 -0.986) 4.847 5.996 ( 2.299 0.000 -1.001) 2.507 6.000 ( 0.089 0.000 4.893) 4.894 6.047 ( 6.616 0.000 1.231) 6.730 6.106 ( 5.077 0.000 -0.038) 5.077 6.324 ( 4.169 0.000 0.488) 4.197 6.405 ( 1.011 0.000 -6.932) 7.005 6.438 ( 7.094 0.000 8.328) 10.940 6.475 ( 4.414 0.000 8.682) 9.740 6.588 ( -0.369 0.000 15.107) 15.111 6.592 ( 5.523 0.000 -2.885) 6.231 6.642 ( -0.063 0.000 -5.854) 5.854 6.683 ( 2.109 0.000 3.829) 4.371 6.838 ( -1.438 0.000 -8.913) 9.028 6.853 ( -1.700 0.000 -6.429) 6.650 7.040 ( -5.551 0.000 4.204) 6.963 7.073 ( -0.452 0.000 3.639) 3.667 7.099 ( -0.954 0.000 -4.335) 4.439 7.103 ( -3.122 0.000 -3.055) 4.368 7.197 ( -1.842 0.000 -0.206) 1.854 7.282 ( -0.705 0.000 2.529) 2.626 7.284 ( -2.549 0.000 -5.583) 6.138 7.354 ( 0.044 0.000 -5.681) 5.681 7.388 ( -2.066 0.000 1.196) 2.387 7.444 ( -1.707 0.000 0.886) 1.923 7.504 ( -3.838 0.000 -2.009) 4.332 7.572 ( -1.161 0.000 -3.775) 3.950 7.702 ( -5.189 0.000 -3.318) 6.159 7.772 ( -3.332 0.000 -7.135) 7.875 7.884 ( 6.054 0.000 7.692) 9.789 7.970 ( 2.906 0.000 -1.287) 3.178 8.070 ( 2.756 0.000 -2.195) 3.523 8.093 ( 9.101 0.000 -4.642) 10.216 8.387 ( 6.386 0.000 4.544) 7.838 8.423 ( -0.714 0.000 2.524) 2.623 8.584 ( 7.830 0.000 -3.406) 8.539 8.644 ( -3.381 0.000 -8.105) 8.782 8.906 ( -4.390 0.000 6.359) 7.727 9.010 ( -2.100 0.000 -3.195) 3.823 9.116 ( -1.368 0.000 1.650) 2.144 9.137 ( -4.704 0.000 -0.447) 4.726 9.450 ( 9.569 0.000 2.873) 9.991 9.529 ( 6.884 0.000 -3.818) 7.872 9.571 ( -3.661 0.000 4.546) 5.836 9.587 ( -9.061 0.000 6.489) 11.145 9.846 ( -8.310 0.000 5.534) 9.985 9.897 ( 9.624 0.000 2.352) 9.907 10.013 ( 7.578 0.000 -7.239) 10.480 10.044 ( -8.783 0.000 -9.224) 12.737 10.205 ( -2.400 0.000 -1.528) 2.845 10.257 ( -7.808 0.000 -3.831) 8.698 10.849 ( -9.212 0.000 6.369) 11.199 10.951 ( -8.950 0.000 -4.801) 10.157 10.978 ( 0.539 0.000 5.622) 5.648 11.110 ( -1.163 0.000 -7.340) 7.432 13.199 ( 0.622 0.000 0.548) 0.828 13.211 ( 3.117 0.000 -1.191) 3.337 13.273 ( 3.576 0.000 -2.291) 4.247 13.300 ( 1.523 0.000 -4.861) 5.094 13.915 ( -3.700 0.000 6.843) 7.779 14.001 ( -6.716 0.000 0.368) 6.726 14.060 ( -5.648 0.000 2.737) 6.276 14.124 ( -5.881 0.000 -1.348) 6.033 15.397 ( 1.195 0.000 7.968) 8.057 15.448 ( 4.969 0.000 3.086) 5.849 15.655 ( 0.590 0.000 2.205) 2.282 15.664 ( 5.840 0.000 -2.028) 6.182 15.677 ( 9.148 0.000 -1.752) 9.314 15.741 ( -0.626 0.000 -1.956) 2.053 15.867 ( 3.864 0.000 0.510) 3.898 15.937 ( 2.571 0.000 -3.466) 4.316 16.787 ( 2.833 0.000 4.656) 5.450 16.843 ( 0.710 0.000 0.081) 0.714 16.909 ( -3.683 0.000 6.562) 7.525 17.031 ( -4.700 0.000 1.329) 4.884 17.031 ( -4.618 0.000 -5.988) 7.562 17.116 ( -7.562 0.000 -6.449) 9.939 17.366 ( 0.551 0.000 3.437) 3.481 17.441 ( 1.013 0.000 -3.964) 4.092 17.775 ( 3.116 0.000 3.751) 4.876 17.822 ( 1.548 0.000 -1.135) 1.920 17.935 ( -0.603 0.000 3.951) 3.996 17.969 ( -0.265 0.000 0.581) 0.638 19.146 ( 0.064 0.000 0.302) 0.309 19.155 ( 0.250 0.000 -0.647) 0.694 19.204 ( 0.411 0.000 2.420) 2.455 19.259 ( 0.897 0.000 -3.338) 3.457 20.053 ( 0.631 0.000 0.954) 1.144 20.067 ( -0.454 0.000 -0.360) 0.580 20.069 ( -0.158 0.000 1.093) 1.104 20.088 ( 0.059 0.000 -0.819) 0.821 20.115 ( 2.360 0.000 0.853) 2.510 20.127 ( -0.587 0.000 -0.177) 0.613 20.295 ( 1.833 0.000 1.067) 2.120 20.340 ( -1.204 0.000 -3.265) 3.479 21.285 ( 0.101 0.000 -0.274) 0.292 21.294 ( -1.084 0.000 -1.344) 1.727 21.323 ( -0.232 0.000 -0.860) 0.891 21.330 ( -0.103 0.000 -1.442) 1.446 22.007 ( -0.221 0.000 0.483) 0.531 22.013 ( -0.348 0.000 -0.108) 0.364 22.016 ( -0.063 0.000 0.149) 0.161 22.018 ( -0.117 0.000 -0.029) 0.121 23.538 ( 0.377 0.000 0.168) 0.412 23.547 ( -0.048 0.000 -0.692) 0.694 23.563 ( 0.567 0.000 -0.635) 0.851 23.564 ( 0.165 0.000 -0.769) 0.787 26.091 ( -3.662 0.000 1.463) 3.944 26.122 ( -3.626 0.000 -1.798) 4.047 26.514 ( 2.578 0.000 0.604) 2.648 26.527 ( 1.674 0.000 -0.838) 1.872 27.134 ( -0.572 0.000 1.234) 1.360 27.169 ( -1.269 0.000 -1.154) 1.715 27.224 ( -0.197 0.000 -3.110) 3.116 27.244 ( -0.819 0.000 -4.052) 4.133 27.365 ( 0.131 0.000 2.413) 2.416 27.395 ( 0.190 0.000 -0.724) 0.749 27.418 ( 1.596 0.000 1.853) 2.446 27.443 ( 1.422 0.000 -0.638) 1.558 31.237 ( -0.151 0.000 1.777) 1.783 31.265 ( -0.100 0.000 -1.169) 1.174 31.276 ( 0.562 0.000 1.644) 1.738 31.314 ( 0.894 0.000 -2.284) 2.453 31.406 ( -3.185 0.000 0.907) 3.312 31.410 ( -1.844 0.000 0.405) 1.888 31.794 ( 0.346 0.000 3.716) 3.732 31.863 ( -0.880 0.000 -3.622) 3.728 33.368 ( 3.561 0.000 -0.245) 3.569 33.383 ( 5.643 0.000 -1.819) 5.928 33.438 ( 4.237 0.000 0.308) 4.248 33.449 ( 5.278 0.000 -0.874) 5.350 33.882 ( -1.863 0.000 4.347) 4.730 33.917 ( -2.982 0.000 4.226) 5.172 33.968 ( -1.902 0.000 -4.604) 4.981 34.001 ( -3.148 0.000 -4.570) 5.550 34.253 ( -0.572 0.000 5.097) 5.129 34.336 ( -0.706 0.000 -3.531) 3.601 34.462 ( -2.376 0.000 4.179) 4.807 34.539 ( -4.661 0.000 -3.746) 5.980 35.383 ( -0.411 0.000 3.855) 3.877 35.426 ( 2.198 0.000 3.194) 3.877 35.478 ( 2.865 0.000 5.463) 6.169 35.666 ( 7.576 0.000 -10.626) 13.050 36.930 ( 0.686 0.000 9.572) 9.597 36.958 ( -0.028 0.000 6.782) 6.782 37.098 ( 0.757 0.000 13.248) 13.269 37.225 ( 0.354 0.000 0.835) 0.907 37.843 ( 0.587 0.000 -4.567) 4.604 37.855 ( -0.518 0.000 -7.325) 7.343 37.918 ( -1.070 0.000 -6.152) 6.244 37.949 ( 0.726 0.000 -8.933) 8.963 ======================= Grid point 77 (30/36) ======================= q-point: ( 0.40 0.00 0.43) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 6.758 0.000 8.910) 11.183 1.938 ( 6.013 0.000 3.890) 7.161 1.982 ( -1.038 0.000 4.096) 4.226 2.046 ( -0.965 0.000 2.408) 2.594 2.079 ( 6.661 0.000 4.216) 7.883 2.227 ( 0.557 0.000 2.716) 2.772 2.297 ( -3.035 0.000 -2.503) 3.934 2.299 ( -3.803 0.000 5.989) 7.094 2.443 ( -3.602 0.000 -0.033) 3.602 2.447 ( 1.133 0.000 -0.880) 1.435 2.550 ( -7.778 0.000 0.504) 7.794 2.568 ( 7.160 0.000 0.180) 7.162 2.642 ( -1.744 0.000 3.974) 4.340 2.694 ( 2.229 0.000 -2.079) 3.048 2.767 ( -10.829 0.000 -2.948) 11.223 2.777 ( -5.722 0.000 1.052) 5.818 2.886 ( -0.027 0.000 -0.693) 0.693 2.898 ( -3.477 0.000 -5.257) 6.303 2.935 ( 0.079 0.000 11.266) 11.266 2.968 ( -2.263 0.000 6.160) 6.563 3.090 ( -0.182 0.000 -2.453) 2.460 3.136 ( 1.221 0.000 10.489) 10.560 3.141 ( 0.060 0.000 -6.841) 6.841 3.166 ( -2.999 0.000 2.798) 4.101 3.216 ( 1.573 0.000 1.958) 2.512 3.249 ( 1.881 0.000 -2.731) 3.316 3.289 ( -2.816 0.000 1.282) 3.094 3.298 ( 3.141 0.000 0.055) 3.142 3.339 ( -1.947 0.000 1.023) 2.199 3.401 ( -2.479 0.000 -1.873) 3.107 3.475 ( -5.033 0.000 -6.975) 8.601 3.519 ( 0.424 0.000 -12.394) 12.401 3.695 ( 0.976 0.000 0.068) 0.978 3.695 ( -0.197 0.000 0.255) 0.322 3.729 ( 2.321 0.000 4.411) 4.984 3.782 ( 1.484 0.000 -2.142) 2.606 3.917 ( 3.577 0.000 10.940) 11.510 3.980 ( 3.700 0.000 3.582) 5.150 3.985 ( 1.548 0.000 3.579) 3.899 4.049 ( 2.250 0.000 -3.051) 3.791 4.098 ( -0.519 0.000 7.770) 7.787 4.133 ( 2.017 0.000 3.352) 3.913 4.220 ( 0.392 0.000 6.741) 6.753 4.293 ( -7.619 0.000 -1.931) 7.860 4.322 ( 0.812 0.000 -2.158) 2.306 4.348 ( 6.191 0.000 6.190) 8.754 4.376 ( -0.749 0.000 -10.425) 10.452 4.457 ( -2.063 0.000 4.795) 5.220 4.488 ( 3.560 0.000 -9.971) 10.587 4.511 ( 2.293 0.000 1.397) 2.685 4.657 ( -5.077 0.000 -1.944) 5.436 4.677 ( -1.650 0.000 -2.937) 3.369 4.751 ( 0.707 0.000 2.905) 2.989 4.808 ( -1.935 0.000 -1.342) 2.355 4.967 ( 3.685 0.000 2.753) 4.600 5.031 ( -0.602 0.000 6.056) 6.086 5.062 ( 1.024 0.000 -5.870) 5.958 5.073 ( -4.558 0.000 3.998) 6.063 5.101 ( -2.130 0.000 -4.615) 5.083 5.231 ( -0.659 0.000 -8.645) 8.671 5.617 ( 3.261 0.000 15.284) 15.628 5.672 ( 2.359 0.000 13.140) 13.350 5.685 ( 1.056 0.000 2.779) 2.973 5.787 ( 0.615 0.000 9.804) 9.823 5.885 ( 3.238 0.000 -9.440) 9.980 5.901 ( 1.032 0.000 2.508) 2.712 6.003 ( 0.438 0.000 -1.761) 1.815 6.098 ( 5.319 0.000 -8.819) 10.298 6.141 ( 1.884 0.000 7.763) 7.988 6.194 ( 2.285 0.000 3.313) 4.025 6.423 ( 3.894 0.000 -4.321) 5.817 6.447 ( 2.888 0.000 -4.182) 5.083 6.522 ( -0.515 0.000 2.478) 2.531 6.543 ( 0.533 0.000 2.152) 2.217 6.590 ( 1.239 0.000 9.197) 9.280 6.636 ( -1.496 0.000 -1.303) 1.983 6.654 ( 2.769 0.000 2.523) 3.746 6.772 ( -5.243 0.000 2.761) 5.926 6.772 ( 4.191 0.000 3.862) 5.699 6.804 ( -0.249 0.000 -5.126) 5.132 6.941 ( -2.067 0.000 6.750) 7.060 7.043 ( -1.497 0.000 4.564) 4.803 7.082 ( 1.041 0.000 -1.992) 2.248 7.114 ( 0.502 0.000 -0.995) 1.115 7.182 ( -0.605 0.000 -5.350) 5.384 7.231 ( -1.386 0.000 -8.699) 8.808 7.292 ( 1.966 0.000 1.066) 2.236 7.319 ( -3.463 0.000 0.132) 3.466 7.363 ( -1.055 0.000 3.259) 3.426 7.475 ( 3.688 0.000 -6.553) 7.520 7.479 ( 1.809 0.000 -5.872) 6.144 7.518 ( -2.868 0.000 -5.280) 6.008 7.592 ( -3.920 0.000 -1.493) 4.194 7.684 ( -5.019 0.000 -9.000) 10.305 7.958 ( 1.535 0.000 1.534) 2.170 7.976 ( -0.586 0.000 -0.394) 0.706 8.207 ( 8.253 0.000 4.028) 9.183 8.275 ( 7.662 0.000 -1.791) 7.868 8.360 ( -4.487 0.000 3.851) 5.913 8.442 ( -3.780 0.000 -4.528) 5.898 8.708 ( 0.128 0.000 -1.547) 1.552 8.713 ( 9.386 0.000 -2.676) 9.760 8.921 ( 8.002 0.000 2.038) 8.257 8.985 ( -0.102 0.000 -0.200) 0.225 9.068 ( -0.783 0.000 1.270) 1.492 9.125 ( 1.719 0.000 1.367) 2.196 9.315 ( -13.760 0.000 6.685) 15.298 9.374 ( -11.838 0.000 2.270) 12.054 9.486 ( -4.544 0.000 8.878) 9.973 9.720 ( 5.521 0.000 -9.826) 11.270 9.801 ( 7.378 0.000 4.638) 8.714 9.901 ( -3.716 0.000 -4.361) 5.729 10.047 ( -10.931 0.000 3.070) 11.354 10.111 ( 6.771 0.000 2.566) 7.241 10.141 ( -1.359 0.000 -6.109) 6.259 10.236 ( 11.674 0.000 -5.169) 12.767 10.614 ( -11.897 0.000 7.012) 13.810 10.762 ( -7.187 0.000 -8.779) 11.345 10.990 ( 0.400 0.000 1.827) 1.870 11.084 ( -0.905 0.000 -7.413) 7.468 13.220 ( 0.923 0.000 2.330) 2.506 13.285 ( 3.370 0.000 -3.070) 4.559 13.324 ( 0.094 0.000 -3.434) 3.435 13.339 ( 2.098 0.000 -3.395) 3.991 13.862 ( -0.776 0.000 4.631) 4.696 13.886 ( -3.325 0.000 5.065) 6.059 13.942 ( -4.100 0.000 -0.818) 4.181 13.993 ( -5.109 0.000 -3.247) 6.053 15.425 ( 0.890 0.000 8.943) 8.987 15.555 ( 3.803 0.000 -4.308) 5.747 15.667 ( 0.828 0.000 1.853) 2.029 15.708 ( -0.241 0.000 -0.174) 0.297 15.794 ( 3.200 0.000 6.169) 6.950 15.864 ( 6.754 0.000 -0.063) 6.754 15.921 ( 1.185 0.000 -0.210) 1.203 15.967 ( -0.217 0.000 -3.853) 3.860 16.814 ( -2.388 0.000 5.740) 6.217 16.841 ( -2.038 0.000 5.479) 5.846 16.846 ( 1.983 0.000 4.993) 5.372 16.956 ( -1.905 0.000 -6.554) 6.825 16.980 ( -4.419 0.000 -6.905) 8.198 16.990 ( 0.226 0.000 -5.733) 5.738 17.352 ( -1.099 0.000 4.625) 4.753 17.442 ( -0.421 0.000 -4.662) 4.681 17.829 ( 1.581 0.000 3.009) 3.399 17.851 ( 0.941 0.000 0.639) 1.137 17.925 ( -0.266 0.000 4.473) 4.481 17.967 ( 0.005 0.000 0.264) 0.264 19.148 ( 0.047 0.000 0.487) 0.489 19.160 ( 0.156 0.000 -0.826) 0.840 19.212 ( 0.214 0.000 2.725) 2.733 19.274 ( 0.424 0.000 -3.889) 3.912 20.060 ( -0.156 0.000 0.110) 0.191 20.061 ( 0.161 0.000 0.096) 0.187 20.066 ( -0.093 0.000 1.446) 1.449 20.088 ( -0.041 0.000 -0.755) 0.756 20.117 ( -0.276 0.000 3.001) 3.014 20.175 ( 2.600 0.000 -2.780) 3.806 20.306 ( -1.692 0.000 0.144) 1.698 20.327 ( 0.944 0.000 -1.763) 2.000 21.275 ( -0.582 0.000 -0.487) 0.758 21.287 ( 0.085 0.000 -1.773) 1.775 21.318 ( -0.152 0.000 -0.452) 0.477 21.326 ( -0.144 0.000 -1.204) 1.212 22.003 ( -0.114 0.000 0.375) 0.392 22.007 ( -0.180 0.000 0.005) 0.180 22.015 ( -0.053 0.000 0.148) 0.157 22.015 ( -0.073 0.000 0.078) 0.107 23.545 ( 0.247 0.000 -0.329) 0.411 23.547 ( 0.045 0.000 -0.532) 0.534 23.567 ( 0.091 0.000 -0.308) 0.321 23.572 ( 0.275 0.000 -0.788) 0.835 26.028 ( -1.861 0.000 1.293) 2.266 26.058 ( -1.898 0.000 -1.994) 2.752 26.554 ( 0.739 0.000 0.003) 0.739 26.556 ( 1.188 0.000 -0.116) 1.193 27.123 ( -0.311 0.000 0.050) 0.315 27.156 ( -0.064 0.000 -3.065) 3.066 27.209 ( -0.791 0.000 -1.357) 1.571 27.228 ( -0.515 0.000 -3.298) 3.338 27.377 ( 0.589 0.000 2.321) 2.394 27.407 ( 0.532 0.000 -0.720) 0.895 27.440 ( 0.529 0.000 1.783) 1.860 27.463 ( 0.471 0.000 -0.397) 0.617 31.244 ( 0.817 0.000 1.732) 1.915 31.268 ( -1.226 0.000 2.068) 2.404 31.275 ( 1.002 0.000 -1.524) 1.823 31.309 ( -1.325 0.000 -2.055) 2.445 31.367 ( -0.558 0.000 1.827) 1.910 31.389 ( -0.064 0.000 -0.722) 0.724 31.791 ( -0.304 0.000 3.017) 3.032 31.842 ( -0.765 0.000 -2.462) 2.578 33.444 ( 2.730 0.000 1.466) 3.099 33.490 ( 3.460 0.000 -3.358) 4.821 33.527 ( 3.291 0.000 1.606) 3.662 33.567 ( 4.601 0.000 -2.620) 5.295 33.831 ( -2.488 0.000 3.374) 4.192 33.858 ( -1.825 0.000 4.169) 4.551 33.908 ( -3.284 0.000 -4.776) 5.796 33.940 ( -1.715 0.000 -4.384) 4.708 34.242 ( -0.322 0.000 4.982) 4.993 34.324 ( -0.311 0.000 -3.571) 3.585 34.420 ( -1.241 0.000 3.145) 3.381 34.465 ( -1.925 0.000 -1.278) 2.310 35.387 ( 0.329 0.000 4.383) 4.396 35.463 ( 1.045 0.000 -3.249) 3.413 35.533 ( 1.720 0.000 12.991) 13.104 35.783 ( 3.053 0.000 -13.123) 13.473 36.943 ( 0.398 0.000 9.358) 9.366 36.958 ( 0.012 0.000 7.486) 7.486 37.112 ( 0.441 0.000 12.923) 12.931 37.231 ( 0.186 0.000 0.870) 0.889 37.846 ( -0.242 0.000 -6.549) 6.554 37.861 ( 1.185 0.000 -4.750) 4.895 37.890 ( -1.486 0.000 -5.881) 6.066 37.961 ( 0.364 0.000 -11.164) 11.170 ======================= Grid point 80 (31/36) ======================= q-point: ( 0.00 0.25 0.43) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 6.444 20.810) 21.785 1.760 ( 0.000 13.703 18.582) 23.089 1.968 ( 0.000 2.814 0.628) 2.884 2.030 ( 0.000 3.168 -9.206) 9.736 2.168 ( 0.000 -2.311 1.216) 2.611 2.289 ( 0.000 -3.377 7.544) 8.266 2.299 ( 0.000 -3.280 -8.302) 8.926 2.352 ( 0.000 2.926 6.612) 7.231 2.452 ( 0.000 -5.757 -0.982) 5.840 2.471 ( 0.000 -0.783 4.869) 4.932 2.524 ( 0.000 2.502 -1.472) 2.903 2.585 ( 0.000 -0.754 -5.549) 5.600 2.645 ( 0.000 -4.455 8.725) 9.797 2.800 ( 0.000 -6.049 1.053) 6.140 2.809 ( 0.000 -1.774 -5.052) 5.354 2.844 ( 0.000 -9.547 -2.331) 9.828 2.984 ( 0.000 2.319 1.572) 2.801 3.030 ( 0.000 1.820 7.109) 7.338 3.032 ( 0.000 1.533 -2.757) 3.155 3.059 ( 0.000 -2.422 3.851) 4.549 3.087 ( 0.000 -0.238 9.797) 9.800 3.153 ( 0.000 -0.288 -4.569) 4.578 3.173 ( 0.000 0.373 -7.376) 7.386 3.198 ( 0.000 4.423 12.030) 12.818 3.262 ( 0.000 0.316 0.237) 0.395 3.334 ( 0.000 5.471 8.585) 10.180 3.374 ( 0.000 6.651 -2.344) 7.052 3.408 ( 0.000 -2.036 3.319) 3.894 3.465 ( 0.000 1.450 -2.015) 2.483 3.559 ( 0.000 0.586 2.115) 2.194 3.569 ( 0.000 0.122 -3.997) 3.998 3.576 ( 0.000 0.158 0.622) 0.642 3.636 ( 0.000 3.332 2.356) 4.081 3.673 ( 0.000 1.482 1.799) 2.331 3.720 ( 0.000 0.910 -1.578) 1.822 3.816 ( 0.000 7.859 -8.998) 11.947 3.825 ( 0.000 -2.384 2.064) 3.154 3.844 ( 0.000 1.841 3.434) 3.896 3.874 ( 0.000 -2.953 -3.991) 4.964 3.901 ( 0.000 3.231 -0.494) 3.268 4.015 ( 0.000 0.883 2.580) 2.727 4.084 ( 0.000 -1.004 7.124) 7.194 4.105 ( 0.000 -0.748 4.433) 4.496 4.169 ( 0.000 0.696 -2.601) 2.692 4.206 ( 0.000 -1.739 1.622) 2.378 4.298 ( 0.000 -10.218 9.190) 13.743 4.327 ( 0.000 0.069 -11.310) 11.311 4.421 ( 0.000 -0.594 3.654) 3.702 4.491 ( 0.000 0.529 -3.322) 3.364 4.576 ( 0.000 -3.543 -12.830) 13.310 4.609 ( 0.000 -5.793 5.801) 8.198 4.707 ( 0.000 -5.733 -3.314) 6.621 4.946 ( 0.000 2.550 3.774) 4.554 4.965 ( 0.000 3.127 6.003) 6.768 5.024 ( 0.000 -1.107 -3.412) 3.587 5.054 ( 0.000 5.301 -3.121) 6.151 5.112 ( 0.000 2.165 1.888) 2.873 5.148 ( 0.000 2.247 -2.342) 3.246 5.162 ( 0.000 2.183 -3.273) 3.934 5.174 ( 0.000 -3.851 -3.217) 5.018 5.458 ( 0.000 -1.061 16.115) 16.150 5.461 ( 0.000 -1.821 10.116) 10.278 5.614 ( 0.000 1.321 -5.233) 5.397 5.722 ( 0.000 -1.465 -10.828) 10.927 5.755 ( 0.000 -0.668 4.984) 5.028 5.866 ( 0.000 0.388 -5.248) 5.262 5.893 ( 0.000 -3.550 1.945) 4.047 5.923 ( 0.000 -4.051 -1.232) 4.234 6.129 ( 0.000 11.484 11.806) 16.470 6.215 ( 0.000 11.380 0.405) 11.387 6.248 ( 0.000 -1.375 7.017) 7.150 6.348 ( 0.000 1.694 6.142) 6.371 6.400 ( 0.000 -0.339 -5.929) 5.938 6.453 ( 0.000 3.320 9.526) 10.088 6.529 ( 0.000 2.062 -6.242) 6.574 6.585 ( 0.000 -1.441 12.701) 12.783 6.647 ( 0.000 2.801 -3.686) 4.629 6.748 ( 0.000 5.977 1.145) 6.086 6.820 ( 0.000 -3.351 -7.817) 8.505 6.903 ( 0.000 -13.611 2.030) 13.762 6.909 ( 0.000 4.435 -9.306) 10.308 6.947 ( 0.000 -11.810 -1.281) 11.880 7.042 ( 0.000 -7.886 7.342) 10.775 7.167 ( 0.000 -1.430 -1.041) 1.769 7.226 ( 0.000 -4.768 -4.883) 6.825 7.237 ( 0.000 -1.605 3.138) 3.525 7.293 ( 0.000 -0.071 -5.329) 5.330 7.314 ( 0.000 -0.356 -3.865) 3.881 7.529 ( 0.000 5.020 0.146) 5.022 7.553 ( 0.000 1.476 2.123) 2.585 7.582 ( 0.000 4.802 -2.755) 5.536 7.602 ( 0.000 2.443 -3.037) 3.898 7.736 ( 0.000 -2.368 -2.624) 3.534 7.785 ( 0.000 -4.211 1.543) 4.484 7.806 ( 0.000 -1.602 -7.919) 8.079 7.813 ( 0.000 -3.216 -0.199) 3.222 8.029 ( 0.000 6.749 4.375) 8.043 8.170 ( 0.000 8.344 -8.321) 11.784 8.323 ( 0.000 -0.877 1.414) 1.664 8.370 ( 0.000 -2.064 -2.738) 3.429 8.520 ( 0.000 1.071 9.565) 9.625 8.760 ( 0.000 5.426 -13.876) 14.899 8.820 ( 0.000 -10.458 11.964) 15.890 9.031 ( 0.000 -4.324 -8.766) 9.774 9.220 ( 0.000 1.150 -0.004) 1.150 9.239 ( 0.000 0.035 7.138) 7.138 9.241 ( 0.000 1.741 -1.977) 2.634 9.366 ( 0.000 -1.519 -6.514) 6.689 9.643 ( 0.000 1.699 9.741) 9.888 9.716 ( 0.000 -1.088 7.452) 7.531 9.831 ( 0.000 2.036 -3.621) 4.154 9.837 ( 0.000 0.302 -7.984) 7.990 10.046 ( 0.000 3.268 4.601) 5.643 10.200 ( 0.000 -2.163 5.056) 5.500 10.208 ( 0.000 3.986 -12.374) 13.000 10.334 ( 0.000 -0.751 -10.393) 10.420 10.966 ( 0.000 0.437 9.296) 9.306 10.967 ( 0.000 0.414 7.785) 7.796 11.086 ( 0.000 1.874 -4.670) 5.032 11.119 ( 0.000 0.108 -6.554) 6.555 13.184 ( 0.000 0.684 -0.397) 0.791 13.215 ( 0.000 1.076 -3.544) 3.704 13.216 ( 0.000 -0.524 0.890) 1.033 13.270 ( 0.000 -1.103 -4.821) 4.945 13.988 ( 0.000 2.195 8.500) 8.779 14.096 ( 0.000 -1.980 7.576) 7.830 14.110 ( 0.000 1.338 -4.429) 4.627 14.177 ( 0.000 -1.240 -0.897) 1.530 15.390 ( 0.000 -0.247 7.766) 7.770 15.396 ( 0.000 -0.098 9.869) 9.870 15.527 ( 0.000 -0.855 -6.359) 6.416 15.551 ( 0.000 -2.168 -5.218) 5.650 15.693 ( 0.000 1.854 1.880) 2.640 15.756 ( 0.000 -1.562 5.777) 5.985 15.788 ( 0.000 -0.357 -7.084) 7.093 15.859 ( 0.000 -3.445 -4.354) 5.552 16.837 ( 0.000 6.454 4.864) 8.082 16.901 ( 0.000 6.214 -1.013) 6.296 16.948 ( 0.000 -0.528 7.590) 7.609 17.079 ( 0.000 -1.457 -5.498) 5.688 17.126 ( 0.000 2.775 3.241) 4.267 17.226 ( 0.000 0.787 -6.454) 6.502 17.302 ( 0.000 -3.401 3.026) 4.552 17.383 ( 0.000 -3.532 -4.687) 5.869 17.750 ( 0.000 1.692 4.702) 4.997 17.817 ( 0.000 1.422 -2.223) 2.639 17.895 ( 0.000 -4.222 4.221) 5.970 17.936 ( 0.000 -3.372 0.015) 3.372 19.155 ( 0.000 0.941 0.777) 1.220 19.175 ( 0.000 1.827 -1.354) 2.274 19.194 ( 0.000 -0.572 2.030) 2.109 19.239 ( 0.000 -0.859 -2.717) 2.850 20.057 ( 0.000 0.918 1.873) 2.086 20.069 ( 0.000 -0.092 0.806) 0.811 20.080 ( 0.000 0.363 -0.351) 0.505 20.086 ( 0.000 0.113 -0.807) 0.814 20.111 ( 0.000 2.101 2.071) 2.950 20.167 ( 0.000 3.198 -3.862) 5.014 20.244 ( 0.000 -2.607 3.864) 4.661 20.324 ( 0.000 -2.773 -4.444) 5.238 21.289 ( 0.000 0.539 0.344) 0.639 21.313 ( 0.000 0.344 -2.167) 2.194 21.319 ( 0.000 -0.599 -0.713) 0.931 21.327 ( 0.000 -0.240 -1.605) 1.623 22.010 ( 0.000 0.035 0.479) 0.481 22.015 ( 0.000 -0.153 0.163) 0.224 22.016 ( 0.000 -0.100 0.064) 0.119 22.017 ( 0.000 -0.169 -0.231) 0.286 23.533 ( 0.000 0.108 0.610) 0.620 23.548 ( 0.000 -0.452 0.262) 0.522 23.554 ( 0.000 0.366 -1.601) 1.642 23.563 ( 0.000 -0.008 -1.348) 1.348 26.186 ( 0.000 4.472 1.425) 4.693 26.214 ( 0.000 4.401 -1.572) 4.674 26.425 ( 0.000 -4.999 1.168) 5.134 26.451 ( 0.000 -4.994 -1.510) 5.217 27.153 ( 0.000 1.054 1.798) 2.084 27.191 ( 0.000 -0.566 1.377) 1.489 27.220 ( 0.000 0.668 -4.999) 5.044 27.250 ( 0.000 -0.402 -4.715) 4.732 27.376 ( 0.000 -0.119 2.447) 2.450 27.382 ( 0.000 -0.318 2.201) 2.224 27.408 ( 0.000 0.343 -0.911) 0.973 27.416 ( 0.000 -0.033 -1.208) 1.208 31.267 ( 0.000 0.607 0.861) 1.053 31.277 ( 0.000 1.995 1.694) 2.617 31.282 ( 0.000 0.883 -0.686) 1.118 31.304 ( 0.000 0.177 -0.996) 1.011 31.460 ( 0.000 3.308 2.595) 4.204 31.511 ( 0.000 5.836 -2.965) 6.546 31.723 ( 0.000 -5.732 4.748) 7.443 31.813 ( 0.000 -5.687 -4.725) 7.394 33.325 ( 0.000 1.021 -0.010) 1.021 33.337 ( 0.000 0.834 -1.429) 1.655 33.378 ( 0.000 -1.022 -0.216) 1.045 33.379 ( 0.000 -0.911 -0.296) 0.957 33.909 ( 0.000 0.654 4.450) 4.498 33.943 ( 0.000 -0.709 4.361) 4.418 33.994 ( 0.000 0.585 -4.473) 4.511 34.027 ( 0.000 -0.739 -4.399) 4.461 34.287 ( 0.000 2.720 5.219) 5.885 34.373 ( 0.000 2.765 -3.723) 4.638 34.452 ( 0.000 -3.715 5.025) 6.249 34.549 ( 0.000 -4.641 -5.186) 6.960 35.393 ( 0.000 -0.417 5.281) 5.297 35.394 ( 0.000 -0.162 8.952) 8.954 35.477 ( 0.000 2.264 -3.735) 4.367 35.544 ( 0.000 -0.813 -6.825) 6.873 36.947 ( 0.000 2.426 9.944) 10.235 36.983 ( 0.000 2.402 6.637) 7.058 37.066 ( 0.000 -2.204 12.486) 12.679 37.161 ( 0.000 -5.145 3.952) 6.487 37.855 ( 0.000 1.492 -5.988) 6.171 37.871 ( 0.000 0.937 -7.943) 7.998 37.917 ( 0.000 -1.167 -6.596) 6.699 37.926 ( 0.000 -1.199 -7.156) 7.255 ======================= Grid point 81 (32/36) ======================= q-point: ( 0.20 0.25 0.43) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 3.746 5.706 18.159) 19.399 1.866 ( 7.391 8.495 14.557) 18.403 1.992 ( 2.372 3.679 -1.505) 4.629 2.028 ( -0.690 1.225 -3.450) 3.726 2.127 ( -3.158 -0.826 3.847) 5.045 2.250 ( -0.821 -0.323 -1.655) 1.876 2.338 ( -0.401 -0.266 2.730) 2.772 2.398 ( 0.493 1.000 5.798) 5.904 2.413 ( -1.797 -3.275 -2.961) 4.767 2.457 ( 0.960 0.615 1.274) 1.709 2.523 ( 1.398 -0.779 -0.458) 1.664 2.559 ( -2.248 0.191 -1.682) 2.814 2.651 ( 0.514 -5.862 5.327) 7.938 2.712 ( -3.236 -4.174 -1.427) 5.470 2.795 ( -5.057 -5.766 2.153) 7.966 2.865 ( -0.152 -6.459 -5.385) 8.411 2.922 ( -3.924 0.272 4.866) 6.257 2.929 ( -6.440 -2.475 -0.354) 6.909 2.968 ( -6.034 1.240 2.705) 6.728 3.040 ( -7.683 0.426 -2.306) 8.033 3.066 ( 0.607 -0.406 3.392) 3.470 3.124 ( 0.343 1.095 1.504) 1.892 3.180 ( 1.425 -0.442 -1.556) 2.156 3.239 ( -3.894 2.669 1.433) 4.934 3.254 ( 1.621 1.336 1.022) 2.336 3.293 ( -2.024 0.968 0.505) 2.299 3.308 ( -4.701 0.897 2.824) 5.557 3.346 ( -6.129 2.693 -0.312) 6.702 3.442 ( -1.459 2.448 2.997) 4.135 3.505 ( -0.864 2.835 3.280) 4.421 3.559 ( 0.037 4.805 -4.303) 6.451 3.602 ( 0.699 3.263 -4.142) 5.319 3.676 ( 0.657 0.920 1.887) 2.200 3.704 ( 0.156 0.829 0.308) 0.898 3.717 ( 2.925 5.308 2.097) 6.413 3.768 ( -1.282 1.362 -3.697) 4.143 3.840 ( 1.643 -1.863 5.353) 5.901 3.892 ( 3.892 -0.909 4.948) 6.361 3.943 ( 4.484 1.905 1.411) 5.072 3.962 ( 4.375 0.117 -2.065) 4.840 4.057 ( 3.768 -0.388 2.461) 4.517 4.094 ( -0.346 -0.996 4.915) 5.027 4.170 ( 4.344 -2.836 2.671) 5.835 4.193 ( 3.397 0.188 1.069) 3.566 4.241 ( 2.666 -1.116 -2.311) 3.700 4.308 ( 1.142 -8.129 5.478) 9.869 4.368 ( 2.715 -1.877 -10.517) 11.023 4.415 ( -1.149 -1.097 3.349) 3.707 4.475 ( -1.126 -1.998 -1.168) 2.574 4.540 ( -1.516 3.696 -4.842) 6.277 4.593 ( -1.338 -6.179 -0.555) 6.347 4.676 ( -3.049 -5.441 -5.075) 8.041 4.900 ( -3.262 4.928 4.989) 7.734 4.944 ( -1.046 4.758 1.296) 5.041 5.004 ( -1.426 3.776 0.455) 4.062 5.061 ( -0.699 1.396 1.328) 2.050 5.068 ( -1.861 1.647 -3.371) 4.188 5.125 ( -1.751 -0.475 -4.431) 4.788 5.162 ( -1.204 0.268 0.060) 1.235 5.213 ( 1.621 -1.208 -3.407) 3.961 5.512 ( 4.480 -1.263 11.502) 12.408 5.534 ( 5.896 -1.717 15.990) 17.129 5.658 ( 3.852 2.017 -2.839) 5.192 5.772 ( 2.234 0.511 3.448) 4.140 5.784 ( 4.364 -1.105 -8.940) 10.010 5.895 ( 4.551 1.311 -5.784) 7.475 5.979 ( 5.535 -4.704 4.230) 8.406 6.008 ( 6.261 -4.344 -0.027) 7.620 6.119 ( 0.140 9.603 6.889) 11.819 6.176 ( -1.620 10.258 1.500) 10.493 6.313 ( 3.627 0.216 4.352) 5.669 6.408 ( 2.492 0.965 -2.110) 3.405 6.434 ( 5.367 0.311 4.627) 7.093 6.498 ( 3.664 2.560 6.585) 7.958 6.562 ( 0.656 -0.341 6.831) 6.871 6.613 ( 3.090 -0.489 2.675) 4.116 6.659 ( 1.639 2.834 -1.543) 3.619 6.729 ( -1.055 3.450 -1.219) 3.808 6.802 ( -2.827 -4.448 -2.864) 5.998 6.878 ( -1.115 1.570 -8.235) 8.458 6.915 ( -1.478 -9.368 4.400) 10.455 6.975 ( 1.932 -10.782 -1.546) 11.063 6.991 ( -2.662 -8.528 1.049) 8.996 7.072 ( -5.013 -4.093 -5.780) 8.677 7.166 ( -2.681 0.893 2.717) 3.920 7.258 ( -1.105 -0.321 -2.149) 2.438 7.295 ( -0.996 -1.038 -3.804) 4.067 7.321 ( -0.816 -1.814 -4.489) 4.910 7.440 ( -3.765 3.384 1.044) 5.169 7.472 ( -2.121 2.989 0.705) 3.733 7.574 ( -3.792 4.544 -0.876) 5.983 7.640 ( -1.303 4.328 -5.336) 6.993 7.682 ( -2.456 -1.300 -3.236) 4.266 7.714 ( -1.132 -6.088 -1.936) 6.488 7.807 ( -1.923 -6.098 -2.046) 6.713 7.861 ( 0.797 -5.055 -4.044) 6.522 8.152 ( 9.640 8.952 3.356) 13.577 8.244 ( 6.793 8.567 -5.769) 12.362 8.397 ( 7.706 0.073 4.520) 8.934 8.473 ( 4.716 3.841 1.184) 6.196 8.539 ( 5.064 -2.875 2.321) 6.269 8.708 ( -3.929 5.295 -9.764) 11.781 8.833 ( -0.603 -7.194 6.911) 9.994 8.990 ( -3.025 -3.224 -6.875) 8.174 9.115 ( -3.103 1.549 3.591) 4.993 9.169 ( -3.050 3.765 -1.537) 5.083 9.383 ( 5.786 -6.382 4.163) 9.568 9.441 ( 0.920 -5.815 -2.127) 6.260 9.625 ( -4.848 4.052 7.739) 9.990 9.643 ( -1.418 3.202 3.248) 4.777 9.831 ( -2.166 -0.599 -1.673) 2.801 9.919 ( 4.973 -2.265 -5.346) 7.644 10.017 ( -1.826 4.527 2.706) 5.582 10.096 ( -1.477 2.947 -1.038) 3.456 10.227 ( -1.266 1.897 -5.415) 5.875 10.276 ( -5.174 0.975 -6.577) 8.425 10.862 ( -8.831 1.306 6.941) 11.308 10.936 ( -4.135 -1.460 4.656) 6.396 10.995 ( -6.072 1.689 -3.706) 7.312 11.090 ( -2.832 -1.870 -7.302) 8.052 13.209 ( 1.012 0.891 0.603) 1.477 13.218 ( 2.956 0.562 -0.660) 3.081 13.271 ( 3.508 -0.138 -3.031) 4.638 13.291 ( 1.761 -0.847 -4.735) 5.123 13.934 ( -4.186 1.765 7.021) 8.363 14.007 ( -6.638 0.055 4.032) 7.767 14.051 ( -5.458 -0.312 -0.397) 5.481 14.109 ( -5.934 -1.429 -1.671) 6.328 15.413 ( 2.139 1.575 8.363) 8.774 15.461 ( 5.935 0.899 4.883) 7.738 15.581 ( 2.340 -3.326 0.334) 4.081 15.622 ( 6.662 -3.545 -2.751) 8.033 15.729 ( 3.188 2.903 0.477) 4.338 15.774 ( 2.169 1.978 -2.823) 4.072 15.839 ( 3.846 -2.348 -0.831) 4.582 15.891 ( 2.504 -3.899 -3.318) 5.700 16.846 ( 0.281 3.919 5.407) 6.684 16.891 ( -1.757 2.214 3.301) 4.346 16.912 ( -2.455 2.089 4.170) 5.271 17.016 ( -4.347 -1.079 -4.863) 6.611 17.082 ( -3.146 5.003 -1.544) 6.108 17.129 ( -6.349 2.127 -5.315) 8.549 17.318 ( -0.597 -4.681 3.032) 5.609 17.393 ( 0.311 -4.792 -4.262) 6.421 17.793 ( 3.236 1.676 3.754) 5.232 17.837 ( 1.760 1.504 -0.830) 2.459 17.903 ( 0.620 -2.860 3.971) 4.933 17.940 ( 0.409 -2.604 0.258) 2.649 19.154 ( -0.020 0.856 0.839) 1.199 19.175 ( 0.027 1.693 -1.342) 2.160 19.197 ( 0.249 -0.748 2.211) 2.348 19.247 ( 0.597 -1.191 -3.064) 3.341 20.060 ( 0.132 0.451 1.039) 1.140 20.067 ( -0.076 -0.012 1.093) 1.096 20.075 ( -0.373 0.482 -0.326) 0.691 20.087 ( -0.011 -0.085 -0.715) 0.720 20.135 ( 2.000 2.096 1.493) 3.259 20.156 ( -0.400 2.688 -0.160) 2.723 20.272 ( 1.958 -2.087 0.312) 2.879 20.315 ( -0.926 -2.469 -3.526) 4.403 21.290 ( 0.049 0.471 -0.269) 0.545 21.299 ( -0.931 0.413 -1.281) 1.636 21.318 ( -0.259 -0.440 -0.907) 1.041 21.326 ( -0.181 -0.408 -1.607) 1.668 22.008 ( -0.180 0.084 0.410) 0.456 22.012 ( -0.273 -0.028 -0.053) 0.280 22.014 ( -0.071 -0.170 0.176) 0.254 22.016 ( -0.105 -0.156 0.011) 0.188 23.537 ( 0.316 0.084 0.435) 0.544 23.549 ( 0.169 -0.049 -0.196) 0.263 23.558 ( 0.226 -0.054 -1.025) 1.051 23.566 ( 0.266 -0.046 -1.255) 1.284 26.150 ( -2.721 5.652 1.338) 6.414 26.178 ( -2.786 5.429 -1.671) 6.327 26.448 ( 1.656 -6.118 0.747) 6.382 26.465 ( 1.035 -5.860 -1.005) 6.035 27.145 ( -0.639 0.979 1.169) 1.653 27.173 ( -0.960 0.221 -0.183) 1.002 27.218 ( -0.694 -0.358 -3.710) 3.791 27.238 ( -0.925 -0.628 -4.319) 4.462 27.371 ( 0.342 0.617 2.546) 2.642 27.402 ( 0.774 0.230 0.289) 0.857 27.412 ( 1.028 -0.231 0.866) 1.364 27.438 ( 1.250 -0.496 -0.870) 1.601 31.250 ( -0.706 0.954 1.303) 1.763 31.274 ( -0.404 0.784 -1.092) 1.404 31.284 ( -0.355 0.120 1.355) 1.406 31.305 ( -0.221 -0.600 -0.772) 1.002 31.447 ( -0.846 4.691 2.304) 5.294 31.486 ( -1.385 6.886 -1.872) 7.269 31.734 ( 0.421 -5.704 3.691) 6.807 31.804 ( -0.820 -5.703 -3.716) 6.856 33.377 ( 3.583 0.835 -0.081) 3.680 33.392 ( 5.560 0.844 -1.582) 5.842 33.425 ( 4.051 -1.041 0.245) 4.190 33.440 ( 5.335 -0.872 -1.274) 5.554 33.887 ( -2.030 0.458 4.274) 4.754 33.912 ( -2.807 -0.516 4.189) 5.069 33.972 ( -2.092 0.375 -4.576) 5.045 33.995 ( -2.967 -0.568 -4.530) 5.445 34.278 ( -0.798 2.433 5.062) 5.673 34.359 ( -1.066 2.275 -3.371) 4.205 34.426 ( -2.114 -3.320 4.087) 5.674 34.500 ( -3.679 -3.448 -3.391) 6.076 35.393 ( 0.695 1.086 5.645) 5.791 35.440 ( 3.545 0.010 8.843) 9.527 35.497 ( 1.888 2.663 -2.655) 4.208 35.639 ( 6.652 -2.575 -9.688) 12.031 36.954 ( 0.589 2.358 9.767) 10.065 36.982 ( -0.021 2.394 7.042) 7.438 37.074 ( 0.684 -2.265 12.183) 12.411 37.165 ( 0.346 -5.227 3.735) 6.434 37.848 ( -0.582 0.590 -5.178) 5.244 37.866 ( -0.241 0.699 -6.088) 6.133 37.911 ( -0.557 -0.472 -7.545) 7.580 37.938 ( 0.822 -0.995 -9.277) 9.366 ======================= Grid point 82 (33/36) ======================= q-point: ( 0.40 0.25 0.43) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 7.356 1.475 10.505) 12.909 1.963 ( -1.023 1.087 2.404) 2.830 2.001 ( -2.388 1.002 1.511) 2.999 2.055 ( 2.936 0.106 -3.476) 4.551 2.127 ( 6.469 5.358 11.457) 14.206 2.266 ( -3.158 2.249 3.842) 5.458 2.275 ( 0.608 0.192 -0.282) 0.697 2.332 ( -3.125 -0.722 -1.121) 3.397 2.402 ( -0.622 2.804 7.436) 7.971 2.497 ( -0.752 0.076 5.989) 6.036 2.570 ( 5.642 1.684 -4.896) 7.658 2.585 ( 1.574 1.706 -2.287) 3.259 2.619 ( -6.147 -0.627 3.913) 7.313 2.662 ( -0.237 -5.153 0.594) 5.193 2.687 ( -1.191 -6.991 3.280) 7.814 2.779 ( -7.493 -1.826 -2.452) 8.093 2.813 ( -2.848 -5.322 0.050) 6.036 2.822 ( -6.136 -0.426 -0.462) 6.168 2.882 ( -0.489 -6.174 -0.002) 6.193 2.907 ( -3.462 -2.731 -4.821) 6.534 3.070 ( -0.481 1.096 2.180) 2.487 3.136 ( -1.917 -0.847 4.774) 5.214 3.153 ( 0.748 0.049 -1.068) 1.304 3.189 ( -0.477 0.990 4.562) 4.692 3.207 ( -1.090 -1.833 2.608) 3.369 3.240 ( -3.991 0.195 -1.789) 4.378 3.295 ( 1.448 -2.274 -3.655) 4.542 3.297 ( 0.232 -1.278 -4.630) 4.809 3.437 ( 0.475 5.248 1.604) 5.508 3.488 ( -1.050 7.768 1.445) 7.971 3.528 ( -2.958 8.814 -2.264) 9.569 3.587 ( -0.025 5.570 -10.016) 11.460 3.688 ( -0.587 -0.693 1.167) 1.479 3.703 ( 0.683 0.713 -0.551) 1.131 3.738 ( 0.356 0.317 3.442) 3.475 3.783 ( 1.239 -1.613 -1.447) 2.496 3.953 ( 5.493 2.909 9.219) 11.119 3.973 ( 3.039 -0.142 4.223) 5.204 3.994 ( 1.468 1.433 2.895) 3.548 4.059 ( 3.287 0.159 0.525) 3.333 4.086 ( -0.063 0.967 8.172) 8.230 4.118 ( 1.215 -1.722 6.588) 6.917 4.194 ( -0.668 -2.501 4.297) 5.016 4.262 ( -0.092 -1.394 -3.672) 3.929 4.281 ( 0.747 -2.465 -5.603) 6.166 4.318 ( 0.632 -3.372 -0.873) 3.540 4.390 ( -1.091 -5.595 -1.509) 5.897 4.416 ( 3.481 -3.542 1.007) 5.068 4.489 ( 1.171 1.162 -1.820) 2.457 4.510 ( -1.214 1.806 -2.747) 3.505 4.584 ( -1.080 -2.001 -0.530) 2.334 4.616 ( -0.951 -1.072 -2.490) 2.873 4.852 ( -1.237 4.528 5.176) 6.987 4.915 ( -1.228 6.939 -0.509) 7.066 5.002 ( 1.152 0.742 3.180) 3.463 5.033 ( -0.260 0.156 -0.246) 0.390 5.057 ( -0.283 1.638 -1.356) 2.145 5.090 ( -1.464 0.497 -2.814) 3.210 5.111 ( -2.872 1.083 -1.182) 3.289 5.219 ( -0.517 -1.212 -7.087) 7.208 5.605 ( 3.598 -0.561 14.839) 15.279 5.630 ( 2.095 -1.511 14.774) 14.998 5.740 ( 2.936 3.342 2.033) 4.891 5.806 ( 1.054 2.803 5.340) 6.122 5.881 ( 3.488 -0.567 -9.870) 10.483 5.983 ( 1.943 4.430 0.001) 4.837 6.071 ( 2.774 -5.221 6.326) 8.659 6.114 ( 3.171 0.715 -1.516) 3.587 6.139 ( 0.747 -0.935 -0.201) 1.213 6.167 ( 0.903 11.869 -2.201) 12.105 6.402 ( 4.695 -1.089 1.957) 5.202 6.470 ( 3.373 0.180 -1.354) 3.640 6.488 ( -0.158 -1.589 3.761) 4.086 6.532 ( -1.745 -0.569 5.019) 5.344 6.581 ( 1.005 -0.144 7.051) 7.124 6.653 ( 2.746 0.538 0.429) 2.831 6.666 ( -4.814 0.087 0.121) 4.816 6.732 ( 0.486 -2.059 2.712) 3.439 6.764 ( 0.678 -1.935 -0.933) 2.253 6.779 ( -4.052 -2.001 -0.082) 4.519 6.903 ( 0.089 -2.457 3.611) 4.369 6.979 ( 1.624 -5.615 -0.494) 5.866 7.029 ( 0.059 -6.685 -1.526) 6.857 7.046 ( 1.851 -7.136 -3.995) 8.385 7.116 ( -1.094 -0.040 -1.605) 1.943 7.222 ( -2.268 -0.745 -7.968) 8.318 7.251 ( -2.043 -3.779 -2.819) 5.138 7.298 ( 0.476 -5.711 -5.892) 8.219 7.416 ( 0.126 4.744 4.866) 6.796 7.458 ( -0.250 2.599 3.134) 4.079 7.510 ( -1.491 2.856 -2.155) 3.876 7.577 ( -2.338 2.686 -9.535) 10.179 7.641 ( -1.175 4.350 -3.711) 5.838 7.679 ( -3.875 -0.452 -7.963) 8.867 7.803 ( 1.748 -9.847 1.433) 10.103 7.851 ( -0.355 -6.938 -2.980) 7.559 8.323 ( 4.863 8.237 5.332) 10.951 8.406 ( 8.794 8.148 -2.504) 12.247 8.488 ( -0.146 9.873 3.690) 10.541 8.546 ( -1.718 7.758 -1.840) 8.156 8.687 ( 4.309 -3.055 -2.846) 6.000 8.695 ( 5.945 -1.085 -3.917) 7.202 8.802 ( 0.448 -8.381 5.938) 10.282 8.925 ( -3.754 -6.591 -6.148) 9.764 9.127 ( 3.715 4.140 5.372) 7.733 9.158 ( 3.974 3.896 1.391) 5.736 9.324 ( -8.309 -0.859 2.942) 8.856 9.368 ( -9.825 -1.412 0.844) 9.961 9.469 ( -6.533 1.164 12.031) 13.739 9.679 ( 5.433 -2.446 -0.693) 5.999 9.813 ( -5.319 -2.661 -5.673) 8.219 9.864 ( 1.463 -1.552 -4.518) 4.996 10.090 ( -0.101 3.992 5.240) 6.588 10.154 ( 1.517 3.247 1.729) 3.979 10.192 ( -0.975 2.932 -4.273) 5.273 10.244 ( 7.412 1.165 -6.258) 9.770 10.646 ( -10.066 3.818 7.169) 12.934 10.799 ( -5.721 3.649 -8.524) 10.895 10.931 ( -1.200 -5.555 1.951) 6.009 11.034 ( -1.822 -4.721 -7.821) 9.316 13.237 ( 1.137 1.518 2.008) 2.762 13.288 ( 3.097 -0.017 -1.157) 3.306 13.321 ( 0.549 -0.048 -4.490) 4.524 13.338 ( 2.129 -0.189 -3.882) 4.432 13.866 ( -1.522 0.410 5.037) 5.277 13.886 ( -3.842 -0.116 5.796) 6.954 13.943 ( -3.547 0.245 -1.903) 4.033 13.982 ( -4.735 -1.046 -3.172) 5.794 15.456 ( 1.311 2.962 9.261) 9.811 15.582 ( 4.368 2.198 -2.237) 5.377 15.626 ( 1.395 -2.917 4.141) 5.254 15.715 ( 1.628 -1.171 -4.519) 4.944 15.782 ( 1.928 0.417 6.829) 7.108 15.855 ( 3.840 -0.926 -0.069) 3.951 15.900 ( 1.599 -1.561 -1.185) 2.529 15.930 ( 0.774 -3.127 -4.020) 5.151 16.811 ( -2.355 0.241 6.208) 6.644 16.834 ( -2.080 -0.628 5.428) 5.847 16.907 ( 0.840 3.510 0.694) 3.675 16.945 ( -1.759 -0.765 -6.149) 6.441 16.992 ( -4.044 3.176 -2.096) 5.553 17.075 ( 0.116 7.364 -6.495) 9.819 17.285 ( -1.593 -6.215 5.033) 8.155 17.388 ( -0.419 -5.206 -5.529) 7.606 17.848 ( 1.638 1.616 3.115) 3.873 17.872 ( 1.133 1.762 0.724) 2.217 17.913 ( 0.221 -1.191 4.197) 4.368 17.950 ( 0.355 -1.563 0.422) 1.657 19.154 ( 0.011 0.737 0.919) 1.178 19.176 ( 0.038 1.478 -1.342) 1.997 19.201 ( 0.123 -1.004 2.439) 2.640 19.257 ( 0.264 -1.656 -3.431) 3.818 20.061 ( 0.008 0.158 0.575) 0.597 20.066 ( -0.072 -0.022 1.343) 1.345 20.069 ( -0.091 0.596 -0.285) 0.667 20.086 ( -0.064 -0.174 -0.710) 0.734 20.141 ( -0.251 2.354 3.054) 3.864 20.197 ( 2.628 1.975 -2.226) 3.970 20.280 ( -1.607 -2.345 0.014) 2.843 20.310 ( 0.805 -1.708 -2.464) 3.104 21.282 ( -0.492 0.598 -0.517) 0.931 21.292 ( 0.080 0.513 -1.579) 1.662 21.312 ( -0.230 -0.595 -0.465) 0.790 21.321 ( -0.154 -0.493 -1.372) 1.466 22.004 ( -0.097 0.141 0.334) 0.375 22.007 ( -0.142 0.085 0.027) 0.167 22.013 ( -0.055 -0.182 0.177) 0.260 22.014 ( -0.067 -0.152 0.074) 0.181 23.543 ( 0.170 0.057 0.167) 0.246 23.554 ( 0.222 0.360 -0.813) 0.917 23.560 ( 0.031 -0.432 -0.198) 0.477 23.572 ( 0.186 -0.173 -1.157) 1.185 26.103 ( -1.413 7.140 1.123) 7.365 26.129 ( -1.478 6.802 -1.747) 7.177 26.473 ( 0.543 -7.506 0.416) 7.537 26.483 ( 0.598 -7.081 -0.646) 7.135 27.134 ( -0.296 1.007 0.095) 1.054 27.166 ( 0.204 0.752 -2.490) 2.610 27.195 ( -1.084 -0.989 -1.517) 2.110 27.222 ( -0.469 -0.779 -3.724) 3.833 27.383 ( 0.485 0.692 2.568) 2.704 27.417 ( 0.514 0.871 -0.863) 1.330 27.430 ( 0.478 -0.976 1.963) 2.244 27.457 ( 0.455 -0.656 -0.635) 1.020 31.246 ( 0.328 0.201 1.474) 1.524 31.263 ( -1.167 -0.443 1.585) 2.018 31.274 ( 0.460 0.009 -1.339) 1.415 31.291 ( -0.988 -0.760 -1.239) 1.758 31.437 ( -0.125 6.177 2.318) 6.599 31.473 ( -0.072 7.291 -1.581) 7.461 31.734 ( -0.208 -5.518 3.106) 6.335 31.786 ( -0.617 -5.451 -2.514) 6.034 33.453 ( 2.763 0.923 1.550) 3.300 33.500 ( 3.557 0.945 -3.283) 4.932 33.511 ( 3.142 -1.404 1.683) 3.831 33.554 ( 4.272 -1.150 -2.898) 5.288 33.835 ( -2.334 0.394 3.425) 4.163 33.854 ( -1.885 -0.366 3.989) 4.427 33.912 ( -2.956 0.421 -4.715) 5.581 33.935 ( -1.860 -0.466 -4.455) 4.850 34.263 ( -0.444 2.030 4.861) 5.287 34.342 ( -0.485 1.692 -3.312) 3.750 34.388 ( -1.159 -2.929 3.507) 4.714 34.441 ( -1.579 -2.244 -1.772) 3.266 35.412 ( 0.709 2.345 6.153) 6.623 35.509 ( 2.456 0.363 7.884) 8.266 35.529 ( 0.638 3.238 -0.960) 3.437 35.746 ( 2.906 -3.615 -12.163) 13.017 36.965 ( 0.312 2.269 9.563) 9.833 36.983 ( 0.062 2.423 7.486) 7.868 37.087 ( 0.391 -2.396 11.878) 12.124 37.171 ( 0.209 -5.314 3.450) 6.339 37.838 ( -0.288 -0.183 -4.622) 4.635 37.863 ( -0.050 -0.603 -2.701) 2.767 37.899 ( -0.380 1.162 -10.023) 10.097 37.951 ( 0.373 -0.938 -11.425) 11.469 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.00 -0.50 0.43) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.000 -6.574 14.329) 15.765 1.884 ( 0.000 6.574 14.329) 15.765 2.072 ( 0.000 -8.272 3.435) 8.956 2.072 ( 0.000 8.272 3.435) 8.956 2.146 ( 0.000 -1.385 3.914) 4.152 2.146 ( 0.000 1.385 3.914) 4.152 2.324 ( 0.000 -6.406 -5.588) 8.500 2.324 ( 0.000 6.406 -5.588) 8.500 2.422 ( 0.000 -3.611 9.832) 10.474 2.422 ( 0.000 3.611 9.832) 10.474 2.565 ( 0.000 -0.625 -1.944) 2.042 2.565 ( 0.000 0.625 -1.944) 2.042 2.658 ( 0.000 -6.593 1.330) 6.726 2.658 ( 0.000 6.593 1.330) 6.726 2.769 ( 0.000 -1.113 -10.608) 10.666 2.769 ( 0.000 1.113 -10.608) 10.666 3.011 ( 0.000 -1.858 5.910) 6.195 3.011 ( 0.000 1.858 5.910) 6.195 3.054 ( 0.000 -0.974 6.627) 6.698 3.054 ( 0.000 0.974 6.627) 6.698 3.118 ( 0.000 -3.352 -4.331) 5.476 3.118 ( 0.000 3.352 -4.331) 5.476 3.195 ( 0.000 -2.206 -6.948) 7.290 3.195 ( 0.000 2.206 -6.948) 7.290 3.331 ( 0.000 -4.935 7.231) 8.755 3.331 ( 0.000 4.936 7.231) 8.755 3.422 ( 0.000 -3.876 -0.563) 3.917 3.422 ( 0.000 3.876 -0.563) 3.917 3.534 ( 0.000 -5.114 4.785) 7.004 3.534 ( 0.000 5.114 4.785) 7.004 3.589 ( 0.000 -0.439 -1.602) 1.662 3.589 ( 0.000 0.439 -1.602) 1.662 3.710 ( 0.000 -0.574 4.653) 4.688 3.710 ( 0.000 0.574 4.653) 4.688 3.783 ( 0.000 -5.184 -3.088) 6.035 3.783 ( 0.000 5.184 -3.088) 6.035 3.806 ( 0.000 -5.760 6.864) 8.961 3.806 ( 0.000 5.760 6.864) 8.961 3.938 ( 0.000 -0.754 -3.673) 3.750 3.938 ( 0.000 0.754 -3.673) 3.750 4.041 ( 0.000 -2.317 8.118) 8.443 4.041 ( 0.000 2.317 8.118) 8.443 4.106 ( 0.000 -2.392 8.417) 8.750 4.106 ( 0.000 2.392 8.417) 8.750 4.196 ( 0.000 -2.328 -4.575) 5.133 4.196 ( 0.000 2.328 -4.575) 5.133 4.388 ( 0.000 -6.340 -13.696) 15.093 4.388 ( 0.000 6.340 -13.696) 15.093 4.485 ( 0.000 -5.824 6.156) 8.474 4.485 ( 0.000 5.824 6.156) 8.474 4.605 ( 0.000 -4.127 -6.598) 7.783 4.605 ( 0.000 4.127 -6.598) 7.783 4.996 ( 0.000 -0.719 4.007) 4.071 4.996 ( 0.000 0.719 4.007) 4.071 5.053 ( 0.000 -3.983 -0.920) 4.088 5.053 ( 0.000 3.983 -0.920) 4.088 5.151 ( 0.000 -1.730 -1.180) 2.094 5.151 ( 0.000 1.730 -1.180) 2.094 5.168 ( 0.000 -1.786 -2.929) 3.430 5.168 ( 0.000 1.786 -2.929) 3.430 5.442 ( 0.000 -0.103 12.995) 12.995 5.442 ( 0.000 0.103 12.995) 12.995 5.668 ( 0.000 -3.545 -10.395) 10.982 5.668 ( 0.000 3.545 -10.395) 10.982 5.791 ( 0.000 -4.414 4.353) 6.199 5.791 ( 0.000 4.414 4.353) 6.199 5.878 ( 0.000 -1.015 -4.240) 4.360 5.878 ( 0.000 1.015 -4.240) 4.360 6.250 ( 0.000 -0.483 11.969) 11.979 6.250 ( 0.000 0.483 11.969) 11.979 6.370 ( 0.000 -4.407 4.296) 6.154 6.370 ( 0.000 4.407 4.296) 6.154 6.502 ( 0.000 -7.931 2.324) 8.264 6.502 ( 0.000 7.931 2.324) 8.264 6.606 ( 0.000 -11.847 6.258) 13.398 6.606 ( 0.000 11.847 6.258) 13.398 6.639 ( 0.000 -12.773 -5.182) 13.784 6.639 ( 0.000 12.773 -5.182) 13.784 6.756 ( 0.000 -6.858 -7.573) 10.217 6.756 ( 0.000 6.858 -7.573) 10.217 6.880 ( 0.000 -7.297 6.925) 10.060 6.880 ( 0.000 7.297 6.925) 10.060 7.042 ( 0.000 -8.445 -8.246) 11.803 7.042 ( 0.000 8.445 -8.246) 11.803 7.204 ( 0.000 -1.311 4.096) 4.301 7.204 ( 0.000 1.311 4.096) 4.301 7.303 ( 0.000 -0.661 -4.960) 5.004 7.303 ( 0.000 0.661 -4.960) 5.004 7.590 ( 0.000 -0.227 1.707) 1.722 7.590 ( 0.000 0.227 1.707) 1.722 7.653 ( 0.000 -0.576 -5.722) 5.751 7.653 ( 0.000 0.576 -5.722) 5.751 7.684 ( 0.000 -0.238 1.925) 1.940 7.684 ( 0.000 0.238 1.925) 1.940 7.777 ( 0.000 -0.172 -7.184) 7.186 7.777 ( 0.000 0.172 -7.184) 7.186 8.226 ( 0.000 -9.524 2.543) 9.857 8.226 ( 0.000 9.524 2.543) 9.857 8.308 ( 0.000 -4.496 -5.786) 7.327 8.308 ( 0.000 4.496 -5.786) 7.327 8.615 ( 0.000 -8.447 14.413) 16.706 8.615 ( 0.000 8.447 14.413) 16.706 8.895 ( 0.000 -7.721 -13.631) 15.666 8.895 ( 0.000 7.721 -13.631) 15.666 9.234 ( 0.000 -0.495 3.607) 3.641 9.234 ( 0.000 0.495 3.607) 3.641 9.311 ( 0.000 -3.903 -4.558) 6.001 9.311 ( 0.000 3.903 -4.558) 6.001 9.683 ( 0.000 -2.015 8.858) 9.084 9.683 ( 0.000 2.015 8.858) 9.084 9.844 ( 0.000 -0.267 -7.165) 7.170 9.844 ( 0.000 0.267 -7.165) 7.170 10.132 ( 0.000 -4.424 6.035) 7.483 10.132 ( 0.000 4.424 6.035) 7.483 10.291 ( 0.000 -3.562 -11.378) 11.922 10.291 ( 0.000 3.562 -11.378) 11.922 10.972 ( 0.000 -0.024 8.822) 8.822 10.972 ( 0.000 0.024 8.822) 8.822 11.115 ( 0.000 -0.730 -5.908) 5.953 11.115 ( 0.000 0.730 -5.908) 5.953 13.201 ( 0.000 -0.911 0.163) 0.926 13.201 ( 0.000 0.911 0.163) 0.926 13.242 ( 0.000 -1.547 -4.136) 4.416 13.242 ( 0.000 1.547 -4.136) 4.416 14.043 ( 0.000 -3.027 8.106) 8.652 14.043 ( 0.000 3.027 8.106) 8.652 14.144 ( 0.000 -1.860 -2.411) 3.045 14.144 ( 0.000 1.860 -2.411) 3.045 15.391 ( 0.000 -0.298 8.511) 8.516 15.391 ( 0.000 0.298 8.511) 8.516 15.520 ( 0.000 -0.557 -3.948) 3.987 15.520 ( 0.000 0.557 -3.948) 3.987 15.727 ( 0.000 -1.432 1.252) 1.902 15.727 ( 0.000 1.432 1.252) 1.902 15.798 ( 0.000 -1.908 -4.909) 5.267 15.798 ( 0.000 1.908 -4.909) 5.267 16.927 ( 0.000 -2.080 6.767) 7.080 16.927 ( 0.000 2.080 6.767) 7.080 17.023 ( 0.000 -4.797 -2.166) 5.264 17.023 ( 0.000 4.797 -2.166) 5.264 17.213 ( 0.000 -5.014 1.275) 5.173 17.213 ( 0.000 5.014 1.275) 5.173 17.284 ( 0.000 -5.278 -5.162) 7.383 17.284 ( 0.000 5.278 -5.162) 7.383 17.806 ( 0.000 -3.933 4.615) 6.064 17.806 ( 0.000 3.933 4.615) 6.064 17.864 ( 0.000 -3.278 -1.289) 3.522 17.864 ( 0.000 3.278 -1.289) 3.522 19.177 ( 0.000 -1.088 1.532) 1.879 19.177 ( 0.000 1.088 1.532) 1.879 19.213 ( 0.000 -1.732 -2.265) 2.851 19.213 ( 0.000 1.732 -2.265) 2.851 20.067 ( 0.000 -0.164 1.283) 1.294 20.067 ( 0.000 0.164 1.283) 1.294 20.086 ( 0.000 -0.183 -0.642) 0.668 20.086 ( 0.000 0.183 -0.642) 0.668 20.176 ( 0.000 -3.848 3.237) 5.028 20.176 ( 0.000 3.848 3.237) 5.028 20.248 ( 0.000 -4.428 -4.329) 6.193 20.248 ( 0.000 4.428 -4.329) 6.193 21.304 ( 0.000 -0.854 -0.189) 0.875 21.304 ( 0.000 0.854 -0.189) 0.875 21.321 ( 0.000 -0.413 -2.000) 2.042 21.321 ( 0.000 0.413 -2.000) 2.042 22.012 ( 0.000 -0.141 0.289) 0.322 22.012 ( 0.000 0.141 0.289) 0.322 22.015 ( 0.000 -0.013 -0.010) 0.017 22.015 ( 0.000 0.013 -0.010) 0.017 23.539 ( 0.000 -0.414 0.601) 0.730 23.539 ( 0.000 0.414 0.601) 0.730 23.561 ( 0.000 -0.238 -1.717) 1.734 23.561 ( 0.000 0.238 -1.717) 1.734 26.302 ( 0.000 -6.645 1.282) 6.768 26.302 ( 0.000 6.645 1.282) 6.768 26.329 ( 0.000 -6.555 -1.522) 6.730 26.329 ( 0.000 6.555 -1.522) 6.730 27.175 ( 0.000 -1.006 1.492) 1.800 27.175 ( 0.000 1.006 1.492) 1.800 27.237 ( 0.000 -0.842 -4.834) 4.906 27.237 ( 0.000 0.842 -4.834) 4.906 27.376 ( 0.000 -0.171 2.574) 2.579 27.376 ( 0.000 0.171 2.574) 2.579 27.414 ( 0.000 -0.223 -1.293) 1.312 27.414 ( 0.000 0.223 -1.293) 1.312 31.284 ( 0.000 -0.805 1.094) 1.358 31.284 ( 0.000 0.805 1.094) 1.358 31.300 ( 0.000 -0.634 -0.631) 0.895 31.300 ( 0.000 0.634 -0.631) 0.895 31.580 ( 0.000 -7.754 4.399) 8.915 31.580 ( 0.000 7.754 4.399) 8.915 31.664 ( 0.000 -8.466 -4.684) 9.676 31.664 ( 0.000 8.466 -4.684) 9.676 33.351 ( 0.000 -1.497 -0.141) 1.504 33.351 ( 0.000 1.497 -0.141) 1.504 33.357 ( 0.000 -1.129 -0.888) 1.436 33.357 ( 0.000 1.129 -0.888) 1.436 33.926 ( 0.000 -0.953 4.368) 4.471 33.926 ( 0.000 0.953 4.368) 4.471 34.010 ( 0.000 -0.924 -4.413) 4.509 34.010 ( 0.000 0.924 -4.413) 4.509 34.363 ( 0.000 -4.595 5.042) 6.822 34.363 ( 0.000 4.595 5.042) 6.822 34.450 ( 0.000 -4.732 -3.953) 6.166 34.450 ( 0.000 4.732 -3.953) 6.166 35.391 ( 0.000 -0.113 7.732) 7.733 35.391 ( 0.000 0.113 7.732) 7.733 35.519 ( 0.000 -1.724 -5.792) 6.043 35.519 ( 0.000 1.724 -5.792) 6.043 37.008 ( 0.000 -3.303 10.677) 11.177 37.008 ( 0.000 3.303 10.677) 11.177 37.054 ( 0.000 -4.773 6.808) 8.315 37.054 ( 0.000 4.773 6.808) 8.315 37.887 ( 0.000 -1.674 -6.965) 7.164 37.887 ( 0.000 1.674 -6.965) 7.164 37.897 ( 0.000 -1.545 -7.446) 7.604 37.897 ( 0.000 1.545 -7.446) 7.604 ======================= Grid point 87 (35/36) ======================= q-point: ( 0.20 -0.50 0.43) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.846 -6.540 12.840) 14.435 1.886 ( 0.846 6.540 12.840) 14.435 2.056 ( -0.327 -3.569 -2.458) 4.346 2.056 ( -0.327 3.569 -2.458) 4.346 2.197 ( 2.494 -8.647 10.139) 13.557 2.197 ( 2.494 8.647 10.139) 13.557 2.313 ( -0.192 -2.575 -0.208) 2.590 2.313 ( -0.192 2.575 -0.208) 2.590 2.479 ( 4.425 -4.379 3.338) 7.064 2.479 ( 4.425 4.379 3.338) 7.064 2.521 ( -2.502 -2.059 -0.943) 3.375 2.521 ( -2.502 2.059 -0.943) 3.375 2.624 ( -3.146 -5.994 2.046) 7.072 2.624 ( -3.146 5.994 2.046) 7.072 2.739 ( -2.311 -4.572 -9.637) 10.914 2.739 ( -2.311 4.572 -9.637) 10.914 2.924 ( -6.202 -0.421 5.047) 8.007 2.924 ( -6.202 0.421 5.047) 8.007 3.007 ( -6.668 -2.281 -1.838) 7.284 3.007 ( -6.668 2.281 -1.838) 7.284 3.105 ( 0.551 -2.489 3.277) 4.152 3.105 ( 0.551 2.489 3.277) 4.152 3.200 ( -0.864 -2.563 -3.911) 4.756 3.200 ( -0.864 2.563 -3.911) 4.756 3.300 ( -3.892 -0.389 0.871) 4.007 3.300 ( -3.892 0.389 0.871) 4.007 3.341 ( -6.046 -2.935 -2.570) 7.195 3.341 ( -6.046 2.935 -2.570) 7.195 3.529 ( 1.939 -3.171 7.297) 8.190 3.529 ( 1.939 3.171 7.297) 8.190 3.630 ( 1.654 -0.731 -1.849) 2.586 3.630 ( 1.654 0.731 -1.849) 2.586 3.706 ( -0.061 -2.395 2.958) 3.806 3.706 ( -0.061 2.395 2.958) 3.806 3.766 ( -2.489 -2.665 -3.643) 5.155 3.766 ( -2.489 2.665 -3.643) 5.155 3.863 ( 6.141 -3.795 8.684) 11.293 3.863 ( 6.141 3.795 8.684) 11.293 3.974 ( 2.796 -1.631 -0.587) 3.289 3.974 ( 2.796 1.631 -0.587) 3.289 4.068 ( 2.701 -2.333 8.171) 8.917 4.068 ( 2.701 2.333 8.171) 8.917 4.142 ( 2.800 -2.433 5.311) 6.479 4.142 ( 2.800 2.433 5.311) 6.479 4.223 ( 2.111 -2.312 -4.267) 5.293 4.223 ( 2.111 2.312 -4.267) 5.293 4.373 ( -1.775 -3.087 -10.921) 11.487 4.373 ( -1.775 3.087 -10.921) 11.487 4.482 ( 0.530 -3.627 5.648) 6.733 4.482 ( 0.530 3.627 5.648) 6.733 4.605 ( 0.069 -2.541 -6.521) 6.998 4.605 ( 0.069 2.541 -6.521) 6.998 4.979 ( -1.671 -2.162 3.997) 4.842 4.979 ( -1.671 2.162 3.997) 4.842 5.050 ( -0.856 -1.832 -2.989) 3.609 5.050 ( -0.856 1.832 -2.989) 3.609 5.119 ( -1.859 -3.592 1.456) 4.298 5.119 ( -1.859 3.592 1.456) 4.298 5.177 ( -0.006 -3.054 -3.568) 4.697 5.177 ( -0.006 3.054 -3.568) 4.697 5.505 ( 5.249 -0.725 13.778) 14.762 5.505 ( 5.249 0.725 13.778) 14.762 5.729 ( 5.357 -4.089 -8.768) 11.058 5.729 ( 5.357 4.089 -8.768) 11.058 5.844 ( 4.352 -6.226 3.808) 8.498 5.844 ( 4.352 6.226 3.808) 8.498 5.923 ( 4.075 -2.424 -3.974) 6.186 5.923 ( 4.075 2.424 -3.974) 6.186 6.280 ( 2.361 -1.782 10.807) 11.205 6.280 ( 2.361 1.782 10.807) 11.205 6.375 ( 0.393 -5.873 4.917) 7.670 6.375 ( 0.393 5.873 4.917) 7.670 6.540 ( 2.581 -4.811 1.812) 5.752 6.540 ( 2.581 4.811 1.812) 5.752 6.607 ( -1.404 -4.087 7.174) 8.375 6.607 ( -1.404 4.087 7.174) 8.375 6.664 ( 3.448 -11.074 -3.989) 12.265 6.664 ( 3.448 11.074 -3.989) 12.265 6.774 ( 0.351 -2.080 -3.906) 4.440 6.774 ( 0.351 2.080 -3.906) 4.440 6.841 ( -1.961 -2.448 1.883) 3.659 6.841 ( -1.961 2.448 1.883) 3.659 6.962 ( -4.448 -5.501 -8.154) 10.795 6.962 ( -4.448 5.501 -8.154) 10.795 7.217 ( -1.005 -3.285 2.075) 4.013 7.217 ( -1.005 3.285 2.075) 4.013 7.295 ( -1.988 -0.762 -4.570) 5.042 7.295 ( -1.988 0.762 -4.570) 5.042 7.535 ( -3.234 -4.152 0.842) 5.330 7.535 ( -3.234 4.152 0.842) 5.330 7.563 ( -2.770 -1.338 -0.547) 3.124 7.563 ( -2.770 1.338 -0.547) 3.124 7.717 ( -1.880 -3.740 -4.309) 6.008 7.717 ( -1.880 3.740 -4.309) 6.008 7.758 ( 0.050 -5.317 -5.638) 7.750 7.758 ( 0.050 5.317 -5.638) 7.750 8.347 ( 8.665 -6.836 1.925) 11.203 8.347 ( 8.665 6.836 1.925) 11.203 8.392 ( 7.592 -7.262 -2.379) 10.772 8.392 ( 7.592 7.262 -2.379) 10.772 8.641 ( 2.079 -9.084 9.671) 13.431 8.641 ( 2.079 9.084 9.671) 13.431 8.862 ( -3.016 -8.056 -11.944) 14.719 8.862 ( -3.016 8.056 -11.944) 14.719 9.206 ( -1.830 -5.583 7.250) 9.331 9.206 ( -1.830 5.583 7.250) 9.331 9.315 ( 0.355 -5.382 -4.729) 7.174 9.315 ( 0.355 5.382 -4.729) 7.174 9.679 ( -2.755 -0.640 8.536) 8.992 9.679 ( -2.755 0.640 8.536) 8.992 9.850 ( 0.553 -3.003 -8.269) 8.814 9.850 ( 0.553 3.003 -8.269) 8.814 10.108 ( -0.928 -2.553 6.946) 7.458 10.108 ( -0.928 2.553 6.946) 7.458 10.268 ( -1.467 -1.748 -10.244) 10.495 10.268 ( -1.467 1.748 -10.244) 10.495 10.898 ( -6.295 -2.113 7.693) 10.162 10.898 ( -6.295 2.113 7.693) 10.162 11.042 ( -6.193 -2.723 -7.002) 9.736 11.042 ( -6.193 2.723 -7.002) 9.736 13.224 ( 2.138 -0.246 0.618) 2.238 13.224 ( 2.138 0.246 0.618) 2.238 13.274 ( 2.683 -0.589 -4.541) 5.307 13.274 ( 2.683 0.589 -4.541) 5.307 13.978 ( -5.319 -2.389 7.295) 9.339 13.978 ( -5.319 2.389 7.295) 9.339 14.072 ( -5.928 -1.932 -2.611) 6.760 14.072 ( -5.928 1.932 -2.611) 6.760 15.453 ( 4.772 -1.930 8.757) 10.158 15.453 ( 4.772 1.930 8.757) 10.158 15.563 ( 4.079 -1.772 -2.369) 5.038 15.563 ( 4.079 1.772 -2.369) 5.038 15.787 ( 4.169 -2.831 -1.197) 5.179 15.787 ( 4.169 2.831 -1.197) 5.179 15.817 ( 1.925 -2.791 -3.128) 4.613 15.817 ( 1.925 2.791 -3.128) 4.613 16.889 ( -3.337 -0.854 6.316) 7.194 16.889 ( -3.337 0.854 6.316) 7.194 16.985 ( -2.956 -2.466 -2.782) 4.750 16.985 ( -2.956 2.466 -2.782) 4.750 17.192 ( -2.597 -5.913 1.185) 6.566 17.192 ( -2.597 5.913 1.185) 6.566 17.257 ( -1.341 -7.699 -4.691) 9.115 17.257 ( -1.341 7.699 -4.691) 9.115 17.839 ( 2.544 -2.924 3.993) 5.565 17.839 ( 2.544 2.924 3.993) 5.565 17.882 ( 1.518 -2.773 -0.384) 3.184 17.882 ( 1.518 2.773 -0.384) 3.184 19.176 ( -0.017 -1.208 1.618) 2.019 19.176 ( -0.017 1.208 1.618) 2.019 19.214 ( 0.085 -1.984 -2.332) 3.064 19.214 ( 0.085 1.984 -2.332) 3.064 20.066 ( -0.072 -0.163 1.187) 1.200 20.066 ( -0.072 0.163 1.187) 1.200 20.083 ( -0.191 -0.325 -0.586) 0.697 20.083 ( -0.191 0.325 -0.586) 0.697 20.186 ( 0.812 -1.852 3.036) 3.647 20.186 ( 0.812 1.852 3.036) 3.647 20.255 ( 0.527 -2.431 -4.084) 4.782 20.255 ( 0.527 2.431 -4.084) 4.782 21.301 ( -0.248 -0.501 -0.299) 0.634 21.301 ( -0.248 0.501 -0.299) 0.634 21.315 ( -0.419 -0.466 -1.807) 1.912 21.315 ( -0.419 0.466 -1.807) 1.912 22.010 ( -0.109 -0.183 0.271) 0.345 22.010 ( -0.109 0.183 0.271) 0.345 22.013 ( -0.147 -0.096 0.023) 0.177 22.013 ( -0.147 0.096 0.023) 0.177 23.542 ( 0.303 -0.407 0.517) 0.724 23.542 ( 0.303 0.407 0.517) 0.724 23.562 ( 0.144 -0.295 -1.592) 1.626 23.562 ( 0.144 0.295 -1.592) 1.626 26.296 ( -0.508 -8.198 1.053) 8.281 26.296 ( -0.508 8.198 1.053) 8.281 26.319 ( -0.801 -7.882 -1.363) 8.038 26.319 ( -0.801 7.882 -1.363) 8.038 27.166 ( -0.594 -0.943 1.140) 1.594 27.166 ( -0.594 0.943 1.140) 1.594 27.222 ( -1.200 -0.760 -4.636) 4.849 27.222 ( -1.200 0.760 -4.636) 4.849 27.388 ( 0.937 -0.996 2.524) 2.870 27.388 ( 0.937 0.996 2.524) 2.870 27.424 ( 0.802 -0.871 -1.147) 1.649 27.424 ( 0.802 0.871 -1.147) 1.649 31.270 ( -1.028 -1.025 1.291) 1.943 31.270 ( -1.028 1.025 1.291) 1.943 31.292 ( -0.666 -0.871 -0.935) 1.440 31.292 ( -0.666 0.871 -0.935) 1.440 31.584 ( 0.318 -7.584 3.881) 8.526 31.584 ( 0.318 7.584 3.881) 8.526 31.655 ( -0.757 -8.170 -3.717) 9.008 31.655 ( -0.757 8.170 -3.717) 9.008 33.398 ( 3.883 -1.045 0.422) 4.043 33.398 ( 3.883 1.045 0.422) 4.043 33.418 ( 5.291 -1.097 -1.802) 5.696 33.418 ( 5.291 1.097 -1.802) 5.696 33.899 ( -2.413 -0.686 4.177) 4.872 33.899 ( -2.413 0.686 4.177) 4.872 33.982 ( -2.532 -0.649 -4.518) 5.220 33.982 ( -2.532 0.649 -4.518) 5.220 34.345 ( -1.457 -4.044 4.759) 6.413 34.345 ( -1.457 4.044 4.759) 6.413 34.424 ( -2.058 -3.728 -3.393) 5.445 34.424 ( -2.058 3.728 -3.393) 5.445 35.421 ( 2.482 -1.443 8.558) 9.027 35.421 ( 2.482 1.443 8.558) 9.027 35.571 ( 4.177 -4.001 -7.348) 9.352 35.571 ( 4.177 4.001 -7.348) 9.352 37.015 ( 0.553 -3.214 10.456) 10.953 37.015 ( 0.553 3.214 10.456) 10.953 37.056 ( 0.120 -4.817 6.839) 8.366 37.056 ( 0.120 4.817 6.839) 8.366 37.864 ( -1.233 -0.840 -4.580) 4.817 37.864 ( -1.233 0.840 -4.580) 4.817 37.915 ( 0.836 -0.985 -9.877) 9.961 37.915 ( 0.836 0.985 -9.877) 9.961 ======================= Grid point 89 (36/36) ======================= q-point: ( 0.40 -0.50 0.43) 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 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 3.034 -3.140 7.844) 8.977 1.933 ( 3.034 3.140 7.844) 8.977 2.039 ( -1.691 -1.822 -2.865) 3.793 2.039 ( -1.691 1.822 -2.865) 3.793 2.244 ( 2.868 -4.848 7.264) 9.192 2.244 ( 2.868 4.848 7.264) 9.192 2.302 ( -1.815 -1.598 0.850) 2.563 2.302 ( -1.815 1.598 0.850) 2.563 2.490 ( 0.538 -2.581 8.515) 8.914 2.490 ( 0.538 2.581 8.515) 8.914 2.552 ( -0.334 -5.062 5.252) 7.302 2.552 ( -0.334 5.062 5.252) 7.302 2.612 ( 3.531 -2.175 -1.438) 4.390 2.612 ( 3.531 2.175 -1.438) 4.390 2.682 ( -2.713 -4.885 -6.461) 8.542 2.682 ( -2.713 4.885 -6.461) 8.542 2.788 ( -4.436 -1.240 1.700) 4.910 2.788 ( -4.436 1.240 1.700) 4.910 2.857 ( -6.785 -2.358 -5.370) 8.969 2.857 ( -6.785 2.358 -5.370) 8.969 3.098 ( -1.066 -1.657 3.126) 3.695 3.098 ( -1.066 1.657 3.126) 3.695 3.168 ( -0.184 -1.452 1.476) 2.079 3.168 ( -0.184 1.452 1.476) 2.079 3.222 ( -4.185 -1.853 -3.365) 5.680 3.222 ( -4.185 1.853 -3.365) 5.680 3.269 ( 0.160 -0.544 -4.180) 4.218 3.269 ( 0.160 0.544 -4.180) 4.218 3.551 ( -0.208 -3.995 4.967) 6.378 3.551 ( -0.208 3.995 4.967) 6.378 3.655 ( 0.836 -1.951 -3.932) 4.468 3.655 ( 0.836 1.951 -3.932) 4.468 3.710 ( -0.867 -3.186 0.911) 3.426 3.710 ( -0.867 3.186 0.911) 3.426 3.728 ( 0.311 -2.458 -0.442) 2.516 3.728 ( 0.311 2.458 -0.442) 2.516 3.990 ( 4.098 -1.197 6.720) 7.961 3.990 ( 4.098 1.197 6.720) 7.961 4.022 ( 1.893 -1.161 4.106) 4.668 4.022 ( 1.893 1.161 4.106) 4.668 4.115 ( 0.748 -0.908 7.156) 7.252 4.115 ( 0.748 0.908 7.156) 7.252 4.194 ( 1.827 -3.746 1.807) 4.543 4.194 ( 1.827 3.746 1.807) 4.543 4.269 ( 2.093 -1.213 -4.890) 5.456 4.269 ( 2.093 1.213 -4.890) 5.456 4.320 ( -2.624 -1.140 -5.792) 6.460 4.320 ( -2.624 1.140 -5.792) 6.460 4.519 ( 2.389 -1.122 4.019) 4.809 4.519 ( 2.389 1.122 4.019) 4.809 4.602 ( -0.578 -1.442 -3.501) 3.830 4.602 ( -0.578 1.442 -3.501) 3.830 4.942 ( -1.282 -4.395 3.892) 6.009 4.942 ( -1.282 4.395 3.892) 6.009 5.020 ( -1.354 -2.456 -2.628) 3.843 5.020 ( -1.354 2.456 -2.628) 3.843 5.084 ( -1.114 -0.949 1.517) 2.108 5.084 ( -1.114 0.949 1.517) 2.108 5.172 ( -0.276 -3.671 -5.290) 6.445 5.172 ( -0.276 3.671 -5.290) 6.445 5.606 ( 3.302 -0.707 16.331) 16.677 5.606 ( 3.302 0.707 16.331) 16.677 5.836 ( 3.500 -4.675 -5.841) 8.260 5.836 ( 3.500 4.675 -5.841) 8.260 5.920 ( 2.075 -8.275 4.557) 9.672 5.920 ( 2.075 8.275 4.557) 9.672 6.016 ( 3.560 -2.296 -5.973) 7.323 6.016 ( 3.560 2.296 -5.973) 7.323 6.326 ( 1.718 -8.737 9.101) 12.732 6.326 ( 1.718 8.737 9.101) 12.732 6.389 ( 0.981 -6.766 4.549) 8.212 6.389 ( 0.981 6.766 4.549) 8.212 6.528 ( -3.102 -1.107 7.879) 8.540 6.528 ( -3.102 1.107 7.879) 8.540 6.596 ( 0.683 -3.632 -2.162) 4.281 6.596 ( 0.683 3.632 -2.162) 4.281 6.701 ( -1.827 -5.940 -0.771) 6.262 6.701 ( -1.827 5.940 -0.771) 6.262 6.741 ( -0.574 -1.264 -2.977) 3.285 6.741 ( -0.574 1.264 -2.977) 3.285 6.862 ( 2.438 -1.293 1.599) 3.189 6.862 ( 2.438 1.293 1.599) 3.189 6.952 ( 2.293 -2.915 -6.192) 7.218 6.952 ( 2.293 2.915 -6.192) 7.218 7.164 ( -2.588 -3.940 -1.577) 4.971 7.164 ( -2.588 3.940 -1.577) 4.971 7.223 ( -3.264 -1.070 -5.544) 6.522 7.223 ( -3.264 1.070 -5.544) 6.522 7.495 ( -0.913 -1.064 2.301) 2.694 7.495 ( -0.913 1.064 2.301) 2.694 7.572 ( 1.787 -3.442 -4.068) 5.620 7.572 ( 1.787 3.442 -4.068) 5.620 7.675 ( -1.204 -1.107 -1.563) 2.262 7.675 ( -1.204 1.107 -1.563) 2.262 7.741 ( -1.357 -4.460 -5.706) 7.369 7.741 ( -1.357 4.460 -5.706) 7.369 8.501 ( 6.215 -5.641 6.062) 10.354 8.501 ( 6.215 5.641 6.062) 10.354 8.585 ( 8.665 -1.987 -2.850) 9.336 8.585 ( 8.665 1.987 -2.850) 9.336 8.662 ( -0.396 -6.106 2.364) 6.559 8.662 ( -0.396 6.106 2.364) 6.559 8.766 ( -6.167 -8.035 -7.093) 12.366 8.766 ( -6.167 8.035 -7.093) 12.366 9.213 ( 2.264 -2.236 7.784) 8.409 9.213 ( 2.264 2.236 7.784) 8.409 9.301 ( -1.548 -2.630 -3.250) 4.458 9.301 ( -1.548 2.630 -3.250) 4.458 9.577 ( -4.903 -7.335 11.215) 14.269 9.577 ( -4.903 7.335 11.215) 14.269 9.811 ( -2.984 -2.778 -10.039) 10.836 9.811 ( -2.984 2.778 -10.039) 10.836 10.163 ( 4.854 -2.319 3.811) 6.592 10.163 ( 4.854 2.319 3.811) 6.592 10.247 ( -1.178 -2.015 -4.601) 5.159 10.247 ( -1.178 2.015 -4.601) 5.159 10.774 ( -4.136 -7.944 4.994) 10.254 10.774 ( -4.136 7.944 4.994) 10.254 10.916 ( -4.368 -6.212 -8.934) 11.726 10.916 ( -4.368 6.212 -8.934) 11.726 13.271 ( 1.724 -1.586 1.164) 2.616 13.271 ( 1.724 1.586 1.164) 2.616 13.329 ( 1.954 -0.637 -4.900) 5.314 13.329 ( 1.954 0.637 -4.900) 5.314 13.878 ( -3.221 -0.625 5.893) 6.744 13.878 ( -3.221 0.625 5.893) 6.744 13.958 ( -3.780 -1.173 -2.948) 4.935 13.958 ( -3.780 1.173 -2.948) 4.935 15.534 ( 2.362 -4.510 9.392) 10.683 15.534 ( 2.362 4.510 9.392) 10.683 15.658 ( 3.650 -3.642 -3.920) 6.477 15.658 ( 3.650 3.642 -3.920) 6.477 15.822 ( 0.202 -2.536 1.965) 3.214 15.822 ( 0.202 2.536 1.965) 3.214 15.884 ( 2.486 -0.555 -3.406) 4.253 15.884 ( 2.486 0.555 -3.406) 4.253 16.821 ( -2.322 -0.646 5.729) 6.215 16.821 ( -2.322 0.646 5.729) 6.215 16.934 ( -1.463 -0.396 -5.591) 5.792 16.934 ( -1.463 0.396 -5.591) 5.792 17.129 ( -2.250 -8.619 5.058) 10.244 17.129 ( -2.250 8.619 5.058) 10.244 17.245 ( -0.170 -8.615 -6.624) 10.869 17.245 ( -0.170 8.615 -6.624) 10.869 17.883 ( 1.208 -1.686 3.616) 4.169 17.883 ( 1.208 1.686 3.616) 4.169 17.912 ( 0.987 -2.092 0.671) 2.408 17.912 ( 0.987 2.092 0.671) 2.408 19.176 ( -0.006 -1.340 1.715) 2.176 19.176 ( -0.006 1.340 1.715) 2.176 19.215 ( 0.023 -2.265 -2.382) 3.287 19.215 ( 0.023 2.265 -2.382) 3.287 20.064 ( -0.052 -0.136 1.065) 1.075 20.064 ( -0.052 0.136 1.065) 1.075 20.080 ( -0.086 -0.421 -0.554) 0.701 20.080 ( -0.086 0.421 -0.554) 0.701 20.201 ( 0.423 -2.979 2.846) 4.142 20.201 ( 0.423 2.979 2.846) 4.142 20.265 ( 0.352 -2.220 -3.806) 4.420 20.265 ( 0.352 2.220 -3.806) 4.420 21.296 ( -0.192 -0.715 -0.368) 0.826 21.296 ( -0.192 0.715 -0.368) 0.826 21.308 ( -0.211 -0.727 -1.606) 1.776 21.308 ( -0.211 0.727 -1.606) 1.776 22.008 ( -0.067 -0.228 0.250) 0.345 22.008 ( -0.067 0.228 0.250) 0.345 22.010 ( -0.083 -0.172 0.060) 0.200 22.010 ( -0.083 0.172 0.060) 0.200 23.548 ( 0.191 -0.449 0.373) 0.614 23.548 ( 0.191 0.449 0.373) 0.614 23.565 ( 0.090 -0.432 -1.396) 1.464 23.565 ( 0.090 0.432 -1.396) 1.464 26.286 ( -0.382 -10.230 0.769) 10.266 26.286 ( -0.382 10.230 0.769) 10.266 26.304 ( -0.455 -9.827 -1.210) 9.911 26.304 ( -0.455 9.827 -1.210) 9.911 27.159 ( -0.054 -1.332 0.161) 1.343 27.159 ( -0.054 1.332 0.161) 1.343 27.199 ( -0.770 -1.258 -3.920) 4.189 27.199 ( -0.770 1.258 -3.920) 4.189 27.404 ( 0.472 -1.323 2.457) 2.830 27.404 ( 0.472 1.323 2.457) 2.830 27.438 ( 0.421 -1.107 -0.963) 1.527 27.438 ( 0.421 1.107 -0.963) 1.527 31.253 ( -0.512 -0.454 1.458) 1.611 31.253 ( -0.512 0.454 1.458) 1.611 31.279 ( -0.370 -0.457 -1.317) 1.442 31.279 ( -0.370 0.457 -1.317) 1.442 31.589 ( 0.128 -7.988 3.165) 8.593 31.589 ( 0.128 7.988 3.165) 8.593 31.641 ( -0.421 -8.335 -2.436) 8.694 31.641 ( -0.421 8.335 -2.436) 8.694 33.479 ( 2.923 -1.563 1.739) 3.743 33.479 ( 2.923 1.563 1.739) 3.743 33.526 ( 3.777 -1.513 -3.238) 5.200 33.526 ( 3.777 1.513 -3.238) 5.200 33.845 ( -2.067 -0.546 3.644) 4.225 33.845 ( -2.067 0.546 3.644) 4.225 33.923 ( -2.318 -0.652 -4.590) 5.183 33.923 ( -2.318 0.652 -4.590) 5.183 34.319 ( -0.751 -3.406 4.389) 5.605 34.319 ( -0.751 3.406 4.389) 5.605 34.388 ( -1.018 -2.701 -2.746) 3.984 34.388 ( -1.018 2.701 -2.746) 3.984 35.467 ( 1.421 -2.790 9.678) 10.172 35.467 ( 1.421 2.790 9.678) 10.172 35.646 ( 2.219 -6.125 -9.263) 11.324 35.646 ( 2.219 6.125 -9.263) 11.324 37.026 ( 0.376 -3.322 10.108) 10.647 37.026 ( 0.376 3.322 10.108) 10.647 37.058 ( 0.051 -5.105 6.878) 8.566 37.058 ( 0.051 5.105 6.878) 8.566 37.845 ( -0.521 -0.868 -3.017) 3.183 37.845 ( -0.521 0.868 -3.017) 3.183 37.927 ( 0.276 -1.393 -11.527) 11.615 37.927 ( 0.276 1.393 -11.527) 11.615 =================== 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 3/30240 10.0 1252.233 1428.015 1664.401 0.000 0.000 0.000 3/30240 20.0 147.218 156.361 178.439 0.000 0.000 0.000 3/30240 30.0 47.665 51.326 58.025 0.000 0.000 0.000 3/30240 40.0 24.021 26.159 29.249 0.000 0.000 0.000 3/30240 50.0 14.922 16.349 18.197 0.000 0.000 0.000 3/30240 60.0 10.451 11.485 12.789 0.000 0.000 0.000 3/30240 70.0 7.909 8.705 9.724 0.000 0.000 0.000 3/30240 80.0 6.313 6.957 7.803 0.000 0.000 0.000 3/30240 90.0 5.237 5.776 6.508 0.000 0.000 0.000 3/30240 100.0 4.470 4.934 5.585 0.000 0.000 0.000 3/30240 110.0 3.901 4.309 4.898 0.000 0.000 0.000 3/30240 120.0 3.462 3.827 4.368 0.000 0.000 0.000 3/30240 130.0 3.115 3.445 3.948 0.000 0.000 0.000 3/30240 140.0 2.834 3.135 3.607 0.000 0.000 0.000 3/30240 150.0 2.601 2.879 3.324 0.000 0.000 0.000 3/30240 160.0 2.406 2.664 3.086 0.000 0.000 0.000 3/30240 170.0 2.239 2.480 2.883 0.000 0.000 0.000 3/30240 180.0 2.095 2.322 2.707 0.000 0.000 0.000 3/30240 190.0 1.969 2.184 2.553 0.000 0.000 0.000 3/30240 200.0 1.859 2.063 2.417 0.000 0.000 0.000 3/30240 210.0 1.760 1.955 2.295 0.000 0.000 0.000 3/30240 220.0 1.673 1.858 2.187 0.000 0.000 0.000 3/30240 230.0 1.593 1.772 2.089 0.000 0.000 0.000 3/30240 240.0 1.522 1.693 2.000 0.000 0.000 0.000 3/30240 250.0 1.457 1.622 1.918 0.000 0.000 0.000 3/30240 260.0 1.397 1.556 1.844 0.000 0.000 0.000 3/30240 270.0 1.342 1.497 1.775 0.000 0.000 0.000 3/30240 280.0 1.292 1.441 1.712 0.000 0.000 0.000 3/30240 290.0 1.245 1.390 1.653 0.000 0.000 0.000 3/30240 300.0 1.202 1.343 1.599 0.000 0.000 0.000 3/30240 310.0 1.162 1.299 1.548 0.000 0.000 0.000 3/30240 320.0 1.124 1.258 1.500 0.000 0.000 0.000 3/30240 330.0 1.089 1.219 1.455 0.000 0.000 0.000 3/30240 340.0 1.056 1.183 1.414 0.000 0.000 0.000 3/30240 350.0 1.025 1.149 1.374 0.000 0.000 0.000 3/30240 360.0 0.996 1.118 1.337 0.000 0.000 0.000 3/30240 370.0 0.968 1.087 1.302 0.000 0.000 0.000 3/30240 380.0 0.942 1.059 1.268 0.000 0.000 0.000 3/30240 390.0 0.918 1.032 1.237 0.000 0.000 0.000 3/30240 400.0 0.894 1.006 1.207 0.000 0.000 0.000 3/30240 410.0 0.872 0.982 1.178 0.000 0.000 0.000 3/30240 420.0 0.851 0.959 1.151 0.000 0.000 0.000 3/30240 430.0 0.831 0.937 1.125 0.000 0.000 0.000 3/30240 440.0 0.812 0.916 1.101 0.000 0.000 0.000 3/30240 450.0 0.794 0.896 1.077 0.000 0.000 0.000 3/30240 460.0 0.776 0.877 1.055 0.000 0.000 0.000 3/30240 470.0 0.760 0.858 1.033 0.000 0.000 0.000 3/30240 480.0 0.744 0.841 1.012 0.000 0.000 0.000 3/30240 490.0 0.728 0.824 0.993 0.000 0.000 0.000 3/30240 500.0 0.714 0.808 0.974 0.000 0.000 0.000 3/30240 510.0 0.700 0.792 0.955 0.000 0.000 0.000 3/30240 520.0 0.686 0.777 0.938 0.000 0.000 0.000 3/30240 530.0 0.673 0.763 0.921 0.000 0.000 0.000 3/30240 540.0 0.661 0.749 0.904 0.000 0.000 0.000 3/30240 550.0 0.649 0.736 0.889 0.000 0.000 0.000 3/30240 560.0 0.637 0.723 0.874 0.000 0.000 0.000 3/30240 570.0 0.626 0.711 0.859 0.000 0.000 0.000 3/30240 580.0 0.615 0.699 0.845 0.000 0.000 0.000 3/30240 590.0 0.605 0.687 0.831 0.000 0.000 0.000 3/30240 600.0 0.595 0.676 0.818 0.000 0.000 0.000 3/30240 610.0 0.585 0.665 0.805 0.000 0.000 0.000 3/30240 620.0 0.575 0.655 0.793 0.000 0.000 0.000 3/30240 630.0 0.566 0.644 0.781 0.000 0.000 0.000 3/30240 640.0 0.558 0.635 0.769 0.000 0.000 0.000 3/30240 650.0 0.549 0.625 0.758 0.000 0.000 0.000 3/30240 660.0 0.541 0.616 0.747 0.000 0.000 0.000 3/30240 670.0 0.533 0.607 0.736 0.000 0.000 0.000 3/30240 680.0 0.525 0.598 0.726 0.000 0.000 0.000 3/30240 690.0 0.517 0.590 0.716 0.000 0.000 0.000 3/30240 700.0 0.510 0.581 0.706 0.000 0.000 0.000 3/30240 710.0 0.503 0.573 0.696 0.000 0.000 0.000 3/30240 720.0 0.496 0.566 0.687 0.000 0.000 0.000 3/30240 730.0 0.489 0.558 0.678 0.000 0.000 0.000 3/30240 740.0 0.482 0.551 0.669 0.000 0.000 0.000 3/30240 750.0 0.476 0.544 0.661 0.000 0.000 0.000 3/30240 760.0 0.470 0.537 0.653 0.000 0.000 0.000 3/30240 770.0 0.464 0.530 0.645 0.000 0.000 0.000 3/30240 780.0 0.458 0.523 0.637 0.000 0.000 0.000 3/30240 790.0 0.452 0.517 0.629 0.000 0.000 0.000 3/30240 800.0 0.446 0.510 0.622 0.000 0.000 0.000 3/30240 810.0 0.441 0.504 0.614 0.000 0.000 0.000 3/30240 820.0 0.436 0.498 0.607 0.000 0.000 0.000 3/30240 830.0 0.430 0.492 0.600 0.000 0.000 0.000 3/30240 840.0 0.425 0.487 0.593 0.000 0.000 0.000 3/30240 850.0 0.420 0.481 0.587 0.000 0.000 0.000 3/30240 860.0 0.415 0.476 0.580 0.000 0.000 0.000 3/30240 870.0 0.411 0.470 0.574 0.000 0.000 0.000 3/30240 880.0 0.406 0.465 0.567 0.000 0.000 0.000 3/30240 890.0 0.401 0.460 0.561 0.000 0.000 0.000 3/30240 900.0 0.397 0.455 0.555 0.000 0.000 0.000 3/30240 910.0 0.393 0.450 0.550 0.000 0.000 0.000 3/30240 920.0 0.388 0.445 0.544 0.000 0.000 0.000 3/30240 930.0 0.384 0.440 0.538 0.000 0.000 0.000 3/30240 940.0 0.380 0.436 0.533 0.000 0.000 0.000 3/30240 950.0 0.376 0.431 0.527 0.000 0.000 0.000 3/30240 960.0 0.372 0.427 0.522 0.000 0.000 0.000 3/30240 970.0 0.369 0.423 0.517 0.000 0.000 0.000 3/30240 980.0 0.365 0.418 0.512 0.000 0.000 0.000 3/30240 990.0 0.361 0.414 0.507 0.000 0.000 0.000 3/30240 1000.0 0.358 0.410 0.502 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m547.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:41:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|