----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:08:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.431982420268142 -6.154237010000002 0.000000000000000 b 8.431982420268142 6.154237010000002 0.000000000000000 c -0.981308449862750 0.000000000000000 5.062052344233047 Atomic positions (fractional): *1 K 0.59179207411306 0.59179207411306 0.74164319948121 39.098 2 K 0.40820792588694 0.40820792588694 0.25835680051879 39.098 *3 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 4 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 *5 P 0.64528085576281 0.20053894396982 0.83611356142145 30.974 *6 P 0.68997351051770 0.93072411109066 0.53077261511327 30.974 7 P 0.93072411109066 0.68997351051770 0.53077261511327 30.974 8 P 0.79946105603018 0.35471914423719 0.16388643857855 30.974 9 P 0.20053894396982 0.64528085576281 0.83611356142145 30.974 10 P 0.06927588890934 0.31002648948230 0.46922738488673 30.974 11 P 0.31002648948230 0.06927588890934 0.46922738488673 30.974 12 P 0.35471914423719 0.79946105603018 0.16388643857855 30.974 *13 O 0.14985098637395 0.57379701464002 0.01601722981968 15.999 *14 O 0.90074403690867 0.59657466509369 0.69418755002653 15.999 *15 O 0.32433700201097 0.56968893706659 0.71235654646423 15.999 16 O 0.42620298535998 0.85014901362605 0.98398277018032 15.999 17 O 0.85014901362605 0.42620298535998 0.98398277018032 15.999 *18 O 0.34181129670700 0.09056747902674 0.76345148172566 15.999 *19 O 0.21376442334414 0.78623557665586 0.00000000000000 15.999 20 O 0.67566299798903 0.43031106293341 0.28764345353577 15.999 21 O 0.09925596309133 0.40342533490631 0.30581244997347 15.999 *22 O 0.92266546090230 0.29258927116043 0.38211089113387 15.999 23 O 0.43031106293341 0.67566299798903 0.28764345353577 15.999 24 O 0.40342533490631 0.09925596309133 0.30581244997347 15.999 25 O 0.57379701464002 0.14985098637395 0.01601722981968 15.999 26 O 0.29258927116043 0.92266546090230 0.38211089113387 15.999 *27 O 0.84150687355889 0.84150687355889 0.60780925974002 15.999 28 O 0.59657466509369 0.90074403690867 0.69418755002653 15.999 29 O 0.56968893706659 0.32433700201097 0.71235654646423 15.999 30 O 0.07733453909770 0.70741072883957 0.61788910886613 15.999 31 O 0.78623557665586 0.21376442334414 0.00000000000000 15.999 32 O 0.90943252097326 0.65818870329300 0.23654851827434 15.999 33 O 0.09056747902674 0.34181129670700 0.76345148172566 15.999 34 O 0.15849312644111 0.15849312644111 0.39219074025998 15.999 35 O 0.70741072883957 0.07733453909770 0.61788910886613 15.999 36 O 0.65818870329300 0.90943252097326 0.23654851827434 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.863964840536283 0.000000000000000 0.000000000000000 b 0.000000000000000 12.308474020000004 0.000000000000000 c -0.981308449862750 0.000000000000000 5.062052344233047 Atomic positions (fractional): *1 K 0.59179207411306 0.00000000000000 0.74164319948121 39.098 > 1 2 K 0.40820792588694 0.00000000000000 0.25835680051879 39.098 > 2 3 K 0.09179207411306 0.50000000000000 0.74164319948121 39.098 > 1 4 K 0.90820792588694 0.50000000000000 0.25835680051879 39.098 > 2 *5 Ga 0.75000000000000 0.75000000000000 0.00000000000000 69.723 > 3 6 Ga 0.75000000000000 0.25000000000000 0.00000000000000 69.723 > 4 7 Ga 0.25000000000000 0.25000000000000 0.00000000000000 69.723 > 3 8 Ga 0.25000000000000 0.75000000000000 0.00000000000000 69.723 > 4 *9 P 0.42290989986632 0.77762904410350 0.83611356142145 30.974 > 5 *10 P 0.81034881080418 0.12037530028648 0.53077261511327 30.974 > 6 11 P 0.81034881080418 0.87962469971352 0.53077261511327 30.974 > 7 12 P 0.57709010013368 0.77762904410350 0.16388643857855 30.974 > 8 13 P 0.42290989986632 0.22237095589649 0.83611356142145 30.974 > 9 14 P 0.18965118919582 0.12037530028648 0.46922738488673 30.974 > 10 15 P 0.18965118919582 0.87962469971352 0.46922738488673 30.974 > 11 16 P 0.57709010013368 0.22237095589649 0.16388643857855 30.974 > 12 17 P 0.92290989986632 0.27762904410350 0.83611356142145 30.974 > 5 18 P 0.31034881080418 0.62037530028648 0.53077261511327 30.974 > 6 19 P 0.31034881080418 0.37962469971352 0.53077261511327 30.974 > 7 20 P 0.07709010013368 0.27762904410350 0.16388643857855 30.974 > 8 21 P 0.92290989986632 0.72237095589650 0.83611356142145 30.974 > 9 22 P 0.68965118919582 0.62037530028648 0.46922738488673 30.974 > 10 23 P 0.68965118919582 0.37962469971352 0.46922738488673 30.974 > 11 24 P 0.07709010013368 0.72237095589650 0.16388643857855 30.974 > 12 *25 O 0.36182400050698 0.21197301413304 0.01601722981968 15.999 > 13 *26 O 0.74865935100118 0.84791531409251 0.69418755002653 15.999 > 14 *27 O 0.44701296953878 0.12267596752781 0.71235654646423 15.999 > 15 28 O 0.63817599949302 0.21197301413304 0.98398277018032 15.999 > 16 29 O 0.63817599949302 0.78802698586696 0.98398277018032 15.999 > 17 *30 O 0.21618938786687 0.87437809115987 0.76345148172566 15.999 > 18 *31 O 0.50000000000000 0.28623557665586 0.00000000000000 15.999 > 19 32 O 0.55298703046122 0.87732403247219 0.28764345353577 15.999 > 20 33 O 0.25134064899882 0.15208468590749 0.30581244997347 15.999 > 21 *34 O 0.60762736603137 0.68496190512907 0.38211089113387 15.999 > 22 35 O 0.55298703046122 0.12267596752781 0.28764345353577 15.999 > 23 36 O 0.25134064899882 0.84791531409251 0.30581244997347 15.999 > 24 37 O 0.36182400050698 0.78802698586696 0.01601722981968 15.999 > 25 38 O 0.60762736603137 0.31503809487093 0.38211089113387 15.999 > 26 *39 O 0.84150687355889 0.00000000000000 0.60780925974002 15.999 > 27 40 O 0.74865935100118 0.15208468590749 0.69418755002653 15.999 > 28 41 O 0.44701296953878 0.87732403247219 0.71235654646423 15.999 > 29 42 O 0.39237263396863 0.31503809487093 0.61788910886613 15.999 > 30 43 O 0.50000000000000 0.71376442334414 0.00000000000000 15.999 > 31 44 O 0.78381061213313 0.87437809115987 0.23654851827434 15.999 > 32 45 O 0.21618938786687 0.12562190884013 0.76345148172566 15.999 > 33 46 O 0.15849312644111 0.00000000000000 0.39219074025998 15.999 > 34 47 O 0.39237263396863 0.68496190512907 0.61788910886613 15.999 > 35 48 O 0.78381061213313 0.12562190884013 0.23654851827434 15.999 > 36 49 O 0.86182400050698 0.71197301413304 0.01601722981968 15.999 > 13 50 O 0.24865935100118 0.34791531409251 0.69418755002653 15.999 > 14 51 O 0.94701296953878 0.62267596752781 0.71235654646423 15.999 > 15 52 O 0.13817599949302 0.71197301413304 0.98398277018032 15.999 > 16 53 O 0.13817599949302 0.28802698586696 0.98398277018032 15.999 > 17 54 O 0.71618938786687 0.37437809115987 0.76345148172566 15.999 > 18 55 O 0.00000000000000 0.78623557665586 0.00000000000000 15.999 > 19 56 O 0.05298703046122 0.37732403247219 0.28764345353577 15.999 > 20 57 O 0.75134064899882 0.65208468590749 0.30581244997347 15.999 > 21 58 O 0.10762736603137 0.18496190512907 0.38211089113387 15.999 > 22 59 O 0.05298703046122 0.62267596752781 0.28764345353577 15.999 > 23 60 O 0.75134064899882 0.34791531409251 0.30581244997347 15.999 > 24 61 O 0.86182400050698 0.28802698586696 0.01601722981968 15.999 > 25 62 O 0.10762736603137 0.81503809487093 0.38211089113387 15.999 > 26 63 O 0.34150687355889 0.50000000000000 0.60780925974002 15.999 > 27 64 O 0.24865935100118 0.65208468590749 0.69418755002653 15.999 > 28 65 O 0.94701296953878 0.37732403247219 0.71235654646423 15.999 > 29 66 O 0.89237263396863 0.81503809487093 0.61788910886613 15.999 > 30 67 O 0.00000000000000 0.21376442334414 0.00000000000000 15.999 > 31 68 O 0.28381061213313 0.37437809115987 0.23654851827434 15.999 > 32 69 O 0.71618938786687 0.62562190884013 0.76345148172566 15.999 > 33 70 O 0.65849312644111 0.50000000000000 0.39219074025998 15.999 > 34 71 O 0.89237263396863 0.18496190512907 0.61788910886613 15.999 > 35 72 O 0.28381061213313 0.62562190884013 0.23654851827434 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.863964840536283 0.000000000000000 0.000000000000000 b 0.000000000000000 12.308474020000004 0.000000000000000 c -1.962616899725500 0.000000000000000 10.124104688466094 Atomic positions (fractional): *1 K 0.59179207411306 0.00000000000000 0.37082159974061 39.098 > 1 2 K 0.59179207411306 0.00000000000000 0.87082159974061 39.098 > 1 3 K 0.40820792588694 0.00000000000000 0.12917840025940 39.098 > 2 4 K 0.40820792588694 0.00000000000000 0.62917840025939 39.098 > 2 5 K 0.09179207411306 0.50000000000000 0.37082159974061 39.098 > 1 6 K 0.09179207411306 0.50000000000000 0.87082159974061 39.098 > 1 7 K 0.90820792588694 0.50000000000000 0.12917840025940 39.098 > 2 8 K 0.90820792588694 0.50000000000000 0.62917840025939 39.098 > 2 *9 Ga 0.75000000000000 0.75000000000000 0.00000000000000 69.723 > 3 10 Ga 0.75000000000000 0.75000000000000 0.50000000000000 69.723 > 3 11 Ga 0.75000000000000 0.25000000000000 0.00000000000000 69.723 > 4 12 Ga 0.75000000000000 0.25000000000000 0.50000000000000 69.723 > 4 13 Ga 0.25000000000000 0.25000000000000 0.00000000000000 69.723 > 3 14 Ga 0.25000000000000 0.25000000000000 0.50000000000000 69.723 > 3 15 Ga 0.25000000000000 0.75000000000000 0.00000000000000 69.723 > 4 16 Ga 0.25000000000000 0.75000000000000 0.50000000000000 69.723 > 4 *17 P 0.42290989986632 0.77762904410350 0.41805678071073 30.974 > 5 18 P 0.42290989986632 0.77762904410350 0.91805678071073 30.974 > 5 *19 P 0.81034881080418 0.12037530028648 0.26538630755664 30.974 > 6 20 P 0.81034881080418 0.12037530028648 0.76538630755663 30.974 > 6 21 P 0.81034881080418 0.87962469971352 0.26538630755664 30.974 > 7 22 P 0.81034881080418 0.87962469971352 0.76538630755663 30.974 > 7 23 P 0.57709010013368 0.77762904410350 0.08194321928927 30.974 > 8 24 P 0.57709010013368 0.77762904410350 0.58194321928927 30.974 > 8 25 P 0.42290989986632 0.22237095589649 0.41805678071073 30.974 > 9 26 P 0.42290989986632 0.22237095589649 0.91805678071073 30.974 > 9 27 P 0.18965118919582 0.12037530028648 0.23461369244336 30.974 > 10 28 P 0.18965118919582 0.12037530028648 0.73461369244337 30.974 > 10 29 P 0.18965118919582 0.87962469971352 0.23461369244336 30.974 > 11 30 P 0.18965118919582 0.87962469971352 0.73461369244337 30.974 > 11 31 P 0.57709010013368 0.22237095589649 0.08194321928927 30.974 > 12 32 P 0.57709010013368 0.22237095589649 0.58194321928927 30.974 > 12 33 P 0.92290989986632 0.27762904410350 0.41805678071073 30.974 > 5 34 P 0.92290989986632 0.27762904410350 0.91805678071073 30.974 > 5 35 P 0.31034881080418 0.62037530028648 0.26538630755664 30.974 > 6 36 P 0.31034881080418 0.62037530028648 0.76538630755663 30.974 > 6 37 P 0.31034881080418 0.37962469971352 0.26538630755664 30.974 > 7 38 P 0.31034881080418 0.37962469971352 0.76538630755663 30.974 > 7 39 P 0.07709010013368 0.27762904410350 0.08194321928927 30.974 > 8 40 P 0.07709010013368 0.27762904410350 0.58194321928927 30.974 > 8 41 P 0.92290989986632 0.72237095589650 0.41805678071073 30.974 > 9 42 P 0.92290989986632 0.72237095589650 0.91805678071073 30.974 > 9 43 P 0.68965118919582 0.62037530028648 0.23461369244336 30.974 > 10 44 P 0.68965118919582 0.62037530028648 0.73461369244337 30.974 > 10 45 P 0.68965118919582 0.37962469971352 0.23461369244336 30.974 > 11 46 P 0.68965118919582 0.37962469971352 0.73461369244337 30.974 > 11 47 P 0.07709010013368 0.72237095589650 0.08194321928927 30.974 > 12 48 P 0.07709010013368 0.72237095589650 0.58194321928927 30.974 > 12 *49 O 0.36182400050698 0.21197301413304 0.00800861490984 15.999 > 13 50 O 0.36182400050698 0.21197301413304 0.50800861490984 15.999 > 13 *51 O 0.74865935100118 0.84791531409251 0.34709377501326 15.999 > 14 52 O 0.74865935100118 0.84791531409251 0.84709377501326 15.999 > 14 *53 O 0.44701296953878 0.12267596752781 0.35617827323211 15.999 > 15 54 O 0.44701296953878 0.12267596752781 0.85617827323212 15.999 > 15 55 O 0.63817599949302 0.21197301413304 0.49199138509016 15.999 > 16 56 O 0.63817599949302 0.21197301413304 0.99199138509016 15.999 > 16 57 O 0.63817599949302 0.78802698586696 0.49199138509016 15.999 > 17 58 O 0.63817599949302 0.78802698586696 0.99199138509016 15.999 > 17 *59 O 0.21618938786687 0.87437809115987 0.38172574086283 15.999 > 18 60 O 0.21618938786687 0.87437809115987 0.88172574086283 15.999 > 18 *61 O 0.50000000000000 0.28623557665586 0.00000000000000 15.999 > 19 62 O 0.50000000000000 0.28623557665586 0.50000000000000 15.999 > 19 63 O 0.55298703046122 0.87732403247219 0.14382172676788 15.999 > 20 64 O 0.55298703046122 0.87732403247219 0.64382172676788 15.999 > 20 65 O 0.25134064899882 0.15208468590749 0.15290622498674 15.999 > 21 66 O 0.25134064899882 0.15208468590749 0.65290622498674 15.999 > 21 *67 O 0.60762736603137 0.68496190512907 0.19105544556693 15.999 > 22 68 O 0.60762736603137 0.68496190512907 0.69105544556693 15.999 > 22 69 O 0.55298703046122 0.12267596752781 0.14382172676788 15.999 > 23 70 O 0.55298703046122 0.12267596752781 0.64382172676788 15.999 > 23 71 O 0.25134064899882 0.84791531409251 0.15290622498674 15.999 > 24 72 O 0.25134064899882 0.84791531409251 0.65290622498674 15.999 > 24 73 O 0.36182400050698 0.78802698586696 0.00800861490984 15.999 > 25 74 O 0.36182400050698 0.78802698586696 0.50800861490984 15.999 > 25 75 O 0.60762736603137 0.31503809487093 0.19105544556693 15.999 > 26 76 O 0.60762736603137 0.31503809487093 0.69105544556693 15.999 > 26 *77 O 0.84150687355889 0.00000000000000 0.30390462987001 15.999 > 27 78 O 0.84150687355889 0.00000000000000 0.80390462987001 15.999 > 27 79 O 0.74865935100118 0.15208468590749 0.34709377501326 15.999 > 28 80 O 0.74865935100118 0.15208468590749 0.84709377501326 15.999 > 28 81 O 0.44701296953878 0.87732403247219 0.35617827323211 15.999 > 29 82 O 0.44701296953878 0.87732403247219 0.85617827323212 15.999 > 29 83 O 0.39237263396863 0.31503809487093 0.30894455443307 15.999 > 30 84 O 0.39237263396863 0.31503809487093 0.80894455443307 15.999 > 30 85 O 0.50000000000000 0.71376442334414 0.00000000000000 15.999 > 31 86 O 0.50000000000000 0.71376442334414 0.50000000000000 15.999 > 31 87 O 0.78381061213313 0.87437809115987 0.11827425913717 15.999 > 32 88 O 0.78381061213313 0.87437809115987 0.61827425913717 15.999 > 32 89 O 0.21618938786687 0.12562190884013 0.38172574086283 15.999 > 33 90 O 0.21618938786687 0.12562190884013 0.88172574086283 15.999 > 33 91 O 0.15849312644111 0.00000000000000 0.19609537012999 15.999 > 34 92 O 0.15849312644111 0.00000000000000 0.69609537012999 15.999 > 34 93 O 0.39237263396863 0.68496190512907 0.30894455443307 15.999 > 35 94 O 0.39237263396863 0.68496190512907 0.80894455443307 15.999 > 35 95 O 0.78381061213313 0.12562190884013 0.11827425913717 15.999 > 36 96 O 0.78381061213313 0.12562190884013 0.61827425913717 15.999 > 36 97 O 0.86182400050698 0.71197301413304 0.00800861490984 15.999 > 13 98 O 0.86182400050698 0.71197301413304 0.50800861490984 15.999 > 13 99 O 0.24865935100118 0.34791531409251 0.34709377501326 15.999 > 14 100 O 0.24865935100118 0.34791531409251 0.84709377501326 15.999 > 14 101 O 0.94701296953878 0.62267596752781 0.35617827323211 15.999 > 15 102 O 0.94701296953878 0.62267596752781 0.85617827323212 15.999 > 15 103 O 0.13817599949302 0.71197301413304 0.49199138509016 15.999 > 16 104 O 0.13817599949302 0.71197301413304 0.99199138509016 15.999 > 16 105 O 0.13817599949302 0.28802698586696 0.49199138509016 15.999 > 17 106 O 0.13817599949302 0.28802698586696 0.99199138509016 15.999 > 17 107 O 0.71618938786687 0.37437809115987 0.38172574086283 15.999 > 18 108 O 0.71618938786687 0.37437809115987 0.88172574086283 15.999 > 18 109 O 0.00000000000000 0.78623557665586 0.00000000000000 15.999 > 19 110 O 0.00000000000000 0.78623557665586 0.50000000000000 15.999 > 19 111 O 0.05298703046122 0.37732403247219 0.14382172676788 15.999 > 20 112 O 0.05298703046122 0.37732403247219 0.64382172676788 15.999 > 20 113 O 0.75134064899882 0.65208468590749 0.15290622498674 15.999 > 21 114 O 0.75134064899882 0.65208468590749 0.65290622498674 15.999 > 21 115 O 0.10762736603137 0.18496190512907 0.19105544556693 15.999 > 22 116 O 0.10762736603137 0.18496190512907 0.69105544556693 15.999 > 22 117 O 0.05298703046122 0.62267596752781 0.14382172676788 15.999 > 23 118 O 0.05298703046122 0.62267596752781 0.64382172676788 15.999 > 23 119 O 0.75134064899882 0.34791531409251 0.15290622498674 15.999 > 24 120 O 0.75134064899882 0.34791531409251 0.65290622498674 15.999 > 24 121 O 0.86182400050698 0.28802698586696 0.00800861490984 15.999 > 25 122 O 0.86182400050698 0.28802698586696 0.50800861490984 15.999 > 25 123 O 0.10762736603137 0.81503809487093 0.19105544556693 15.999 > 26 124 O 0.10762736603137 0.81503809487093 0.69105544556693 15.999 > 26 125 O 0.34150687355889 0.50000000000000 0.30390462987001 15.999 > 27 126 O 0.34150687355889 0.50000000000000 0.80390462987001 15.999 > 27 127 O 0.24865935100118 0.65208468590749 0.34709377501326 15.999 > 28 128 O 0.24865935100118 0.65208468590749 0.84709377501326 15.999 > 28 129 O 0.94701296953878 0.37732403247219 0.35617827323211 15.999 > 29 130 O 0.94701296953878 0.37732403247219 0.85617827323212 15.999 > 29 131 O 0.89237263396863 0.81503809487093 0.30894455443307 15.999 > 30 132 O 0.89237263396863 0.81503809487093 0.80894455443307 15.999 > 30 133 O 0.00000000000000 0.21376442334414 0.00000000000000 15.999 > 31 134 O 0.00000000000000 0.21376442334414 0.50000000000000 15.999 > 31 135 O 0.28381061213313 0.37437809115987 0.11827425913717 15.999 > 32 136 O 0.28381061213313 0.37437809115987 0.61827425913717 15.999 > 32 137 O 0.71618938786687 0.62562190884013 0.38172574086283 15.999 > 33 138 O 0.71618938786687 0.62562190884013 0.88172574086283 15.999 > 33 139 O 0.65849312644111 0.50000000000000 0.19609537012999 15.999 > 34 140 O 0.65849312644111 0.50000000000000 0.69609537012999 15.999 > 34 141 O 0.89237263396863 0.18496190512907 0.30894455443307 15.999 > 35 142 O 0.89237263396863 0.18496190512907 0.80894455443307 15.999 > 35 143 O 0.28381061213313 0.62562190884013 0.11827425913717 15.999 > 36 144 O 0.28381061213313 0.62562190884013 0.61827425913717 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4118127 0.0000000 0.0270678 0.0000000 2.4002962 0.0000000 0.0270679 0.0000000 2.4257288 -------------------------- Born effective charges -------------------------- 1 K 1.1911368 -0.0000000 -0.0304412 -0.0000000 1.4251708 -0.0000000 -0.0119358 0.0000000 1.2323982 2 K 1.1911368 -0.0000000 -0.0304412 -0.0000000 1.4251708 -0.0000000 -0.0119358 0.0000000 1.2323982 3 Ga 3.4889734 0.1458254 -0.4427881 0.0864769 2.7857407 -0.0557528 -0.3264440 0.5487351 3.8485232 4 Ga 3.4889734 -0.1458254 -0.4427881 -0.0864769 2.7857407 0.0557528 -0.3264440 -0.5487351 3.8485232 5 P 4.0381883 0.2090339 0.5785365 0.4149079 2.7747629 0.4274644 0.3921944 0.0977987 3.1287407 6 P 2.9486031 0.2276064 0.1066401 -0.2442496 4.2904073 -0.2797828 0.1985818 0.4821508 3.4056553 7 P 2.9486031 -0.2276064 0.1066401 0.2442496 4.2904073 0.2797828 0.1985818 -0.4821508 3.4056553 8 P 4.0381883 -0.2090339 0.5785365 -0.4149079 2.7747629 -0.4274644 0.3921944 -0.0977987 3.1287407 9 P 4.0381883 -0.2090339 0.5785365 -0.4149079 2.7747629 -0.4274644 0.3921944 -0.0977987 3.1287407 10 P 2.9486031 -0.2276064 0.1066401 0.2442496 4.2904073 0.2797828 0.1985818 -0.4821508 3.4056553 11 P 2.9486031 0.2276064 0.1066401 -0.2442496 4.2904073 -0.2797828 0.1985818 0.4821508 3.4056553 12 P 4.0381883 0.2090339 0.5785365 0.4149079 2.7747629 0.4274644 0.3921944 0.0977987 3.1287407 13 O -2.3607685 0.1541049 0.5321170 0.1637685 -0.9290487 0.1079152 0.3729969 0.0186128 -1.2917190 14 O -1.4544423 -0.2167348 0.4504418 -0.3595849 -1.3945110 0.4224297 0.4623344 0.3724583 -1.6720734 15 O -1.2730349 0.2340947 -0.0069582 0.2697800 -1.3412440 -0.2398838 0.0254121 -0.2777476 -1.1814722 16 O -2.3607685 -0.1541049 0.5321170 -0.1637685 -0.9290487 -0.1079152 0.3729969 -0.0186128 -1.2917190 17 O -2.3607685 0.1541049 0.5321170 0.1637685 -0.9290487 0.1079152 0.3729969 0.0186128 -1.2917190 18 O -0.9314787 0.0714388 -0.1411928 0.1466260 -1.3648806 0.5574993 -0.1201410 0.4108795 -2.2140464 19 O -2.5145909 -0.0000000 -1.2356123 -0.0000000 -0.9575289 -0.0000000 -1.0271399 0.0000000 -1.4424589 20 O -1.2730349 0.2340947 -0.0069582 0.2697800 -1.3412440 -0.2398838 0.0254121 -0.2777476 -1.1814722 21 O -1.4544423 -0.2167348 0.4504418 -0.3595849 -1.3945110 0.4224297 0.4623344 0.3724583 -1.6720734 22 O -1.6834684 0.8880271 -0.6321877 0.8008504 -1.7675574 0.8254209 -0.5964324 0.9078500 -1.5123897 23 O -1.2730349 -0.2340947 -0.0069582 -0.2697800 -1.3412440 0.2398838 0.0254121 0.2777476 -1.1814722 24 O -1.4544423 0.2167348 0.4504418 0.3595849 -1.3945110 -0.4224297 0.4623344 -0.3724583 -1.6720734 25 O -2.3607685 -0.1541049 0.5321170 -0.1637685 -0.9290487 -0.1079152 0.3729969 -0.0186128 -1.2917190 26 O -1.6834684 -0.8880271 -0.6321877 -0.8008504 -1.7675574 -0.8254209 -0.5964324 -0.9078500 -1.5123897 27 O -0.7327164 -0.0000000 -0.0659520 -0.0000000 -3.7892397 -0.0000000 -0.1043726 0.0000000 -0.9638529 28 O -1.4544423 0.2167348 0.4504418 0.3595849 -1.3945110 -0.4224297 0.4623344 -0.3724583 -1.6720734 29 O -1.2730349 -0.2340947 -0.0069582 -0.2697800 -1.3412440 0.2398838 0.0254121 0.2777476 -1.1814722 30 O -1.6834684 0.8880271 -0.6321877 0.8008504 -1.7675574 0.8254209 -0.5964324 0.9078500 -1.5123897 31 O -2.5145909 -0.0000000 -1.2356123 -0.0000000 -0.9575289 -0.0000000 -1.0271399 0.0000000 -1.4424589 32 O -0.9314787 -0.0714388 -0.1411928 -0.1466260 -1.3648806 -0.5574993 -0.1201410 -0.4108795 -2.2140464 33 O -0.9314787 -0.0714388 -0.1411928 -0.1466260 -1.3648806 -0.5574993 -0.1201410 -0.4108795 -2.2140464 34 O -0.7327164 -0.0000000 -0.0659520 -0.0000000 -3.7892397 -0.0000000 -0.1043726 0.0000000 -0.9638529 35 O -1.6834684 -0.8880271 -0.6321877 -0.8008504 -1.7675574 -0.8254209 -0.5964324 -0.9078500 -1.5123897 36 O -0.9314787 0.0714388 -0.1411928 0.1466260 -1.3648806 0.5574993 -0.1201410 0.4108795 -2.2140464 ---------------------------------------------------------------------------- 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: 29268/29268 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: 1320 Use submatrix version of eigh solver. (1) Block: 500 / 1320 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1320 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1320 / 1320 (1) 309 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (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) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (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) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 732 / 732 (1) 223 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 732 / 732 (1) 225 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 732 / 732 (1) 223 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6076, 5990), data: False |-- (732, 721), data: False |-- (732, 9), data: (732, 20) @ (20, 9) |-- (232, 223), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (732, 721), data: False |-- (732, 7), data: (732, 18) @ (18, 7) |-- (232, 225), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (732, 721), data: False |-- (732, 9), data: (732, 20) @ (20, 9) |-- (232, 223), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1320, 1299), data: False |-- (1320, 28), data: (1320, 49) @ (49, 28) |-- (320, 309), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.898 Solver_block: 200 / 1120 - Time: 1.681 Solver_block: 300 / 1120 - Time: 1.682 Solver_block: 400 / 1120 - Time: 1.678 Solver_block: 500 / 1120 - Time: 1.688 Solver_block: 600 / 1120 - Time: 1.683 Solver_block: 700 / 1120 - Time: 1.694 Solver_block: 800 / 1120 - Time: 1.676 Solver_block: 900 / 1120 - Time: 1.683 Solver_block: 1000 / 1120 - Time: 1.675 Solver_block: 1100 / 1120 - Time: 1.681 Solver_block: 1120 / 1120 - Time: 0.551 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.756 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 29268/29268 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: 1320 Use submatrix version of eigh solver. (1) Block: 500 / 1320 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1320 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1320 / 1320 (1) 309 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (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) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (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) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 732 / 732 (1) 223 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 732 / 732 (1) 225 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 732 / 732 (1) 223 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (6076, 5990), data: False |-- (732, 721), data: False |-- (732, 9), data: (732, 20) @ (20, 9) |-- (232, 223), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (732, 721), data: False |-- (732, 7), data: (732, 18) @ (18, 7) |-- (232, 225), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (732, 721), data: False |-- (732, 9), data: (732, 20) @ (20, 9) |-- (232, 223), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 236), data: True |-- (250, 236), data: True |-- (1320, 1299), data: False |-- (1320, 28), data: (1320, 49) @ (49, 28) |-- (320, 309), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), 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 12:09:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:09:26]------------------------- 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: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.431982420268142 -6.154237010000002 0.000000000000000 b 8.431982420268142 6.154237010000002 0.000000000000000 c -0.981308449862750 0.000000000000000 5.062052344233047 Atomic positions (fractional): 1 K 0.59179207411306 0.59179207411306 0.74164319948121 39.098 2 K 0.40820792588694 0.40820792588694 0.25835680051879 39.098 3 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 4 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 5 P 0.64528085576281 0.20053894396982 0.83611356142145 30.974 6 P 0.68997351051770 0.93072411109066 0.53077261511327 30.974 7 P 0.93072411109066 0.68997351051770 0.53077261511327 30.974 8 P 0.79946105603018 0.35471914423719 0.16388643857855 30.974 9 P 0.20053894396982 0.64528085576281 0.83611356142145 30.974 10 P 0.06927588890934 0.31002648948230 0.46922738488673 30.974 11 P 0.31002648948230 0.06927588890934 0.46922738488673 30.974 12 P 0.35471914423719 0.79946105603018 0.16388643857855 30.974 13 O 0.14985098637395 0.57379701464002 0.01601722981968 15.999 14 O 0.90074403690867 0.59657466509369 0.69418755002653 15.999 15 O 0.32433700201097 0.56968893706659 0.71235654646423 15.999 16 O 0.42620298535998 0.85014901362605 0.98398277018032 15.999 17 O 0.85014901362605 0.42620298535998 0.98398277018032 15.999 18 O 0.34181129670700 0.09056747902674 0.76345148172566 15.999 19 O 0.21376442334414 0.78623557665586 0.00000000000000 15.999 20 O 0.67566299798903 0.43031106293341 0.28764345353577 15.999 21 O 0.09925596309133 0.40342533490631 0.30581244997347 15.999 22 O 0.92266546090230 0.29258927116043 0.38211089113387 15.999 23 O 0.43031106293341 0.67566299798903 0.28764345353577 15.999 24 O 0.40342533490631 0.09925596309133 0.30581244997347 15.999 25 O 0.57379701464002 0.14985098637395 0.01601722981968 15.999 26 O 0.29258927116043 0.92266546090230 0.38211089113387 15.999 27 O 0.84150687355889 0.84150687355889 0.60780925974002 15.999 28 O 0.59657466509369 0.90074403690867 0.69418755002653 15.999 29 O 0.56968893706659 0.32433700201097 0.71235654646423 15.999 30 O 0.07733453909770 0.70741072883957 0.61788910886613 15.999 31 O 0.78623557665586 0.21376442334414 0.00000000000000 15.999 32 O 0.90943252097326 0.65818870329300 0.23654851827434 15.999 33 O 0.09056747902674 0.34181129670700 0.76345148172566 15.999 34 O 0.15849312644111 0.15849312644111 0.39219074025998 15.999 35 O 0.70741072883957 0.07733453909770 0.61788910886613 15.999 36 O 0.65818870329300 0.90943252097326 0.23654851827434 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.863964840536283 0.000000000000000 0.000000000000000 b 0.000000000000000 12.308474020000004 0.000000000000000 c -1.962616899725500 0.000000000000000 10.124104688466094 Atomic positions (fractional): 1 K 0.59179207411306 0.00000000000000 0.37082159974061 39.098 > 1 2 K 0.59179207411306 0.00000000000000 0.87082159974061 39.098 > 1 3 K 0.40820792588694 0.00000000000000 0.12917840025940 39.098 > 3 4 K 0.40820792588694 0.00000000000000 0.62917840025939 39.098 > 3 5 K 0.09179207411306 0.50000000000000 0.37082159974061 39.098 > 1 6 K 0.09179207411306 0.50000000000000 0.87082159974061 39.098 > 1 7 K 0.90820792588694 0.50000000000000 0.12917840025940 39.098 > 3 8 K 0.90820792588694 0.50000000000000 0.62917840025939 39.098 > 3 9 Ga 0.75000000000000 0.75000000000000 0.00000000000000 69.723 > 9 10 Ga 0.75000000000000 0.75000000000000 0.50000000000000 69.723 > 9 11 Ga 0.75000000000000 0.25000000000000 0.00000000000000 69.723 > 11 12 Ga 0.75000000000000 0.25000000000000 0.50000000000000 69.723 > 11 13 Ga 0.25000000000000 0.25000000000000 0.00000000000000 69.723 > 9 14 Ga 0.25000000000000 0.25000000000000 0.50000000000000 69.723 > 9 15 Ga 0.25000000000000 0.75000000000000 0.00000000000000 69.723 > 11 16 Ga 0.25000000000000 0.75000000000000 0.50000000000000 69.723 > 11 17 P 0.42290989986632 0.77762904410350 0.41805678071073 30.974 > 17 18 P 0.42290989986632 0.77762904410350 0.91805678071073 30.974 > 17 19 P 0.81034881080418 0.12037530028648 0.26538630755664 30.974 > 19 20 P 0.81034881080418 0.12037530028648 0.76538630755663 30.974 > 19 21 P 0.81034881080418 0.87962469971352 0.26538630755664 30.974 > 21 22 P 0.81034881080418 0.87962469971352 0.76538630755663 30.974 > 21 23 P 0.57709010013368 0.77762904410350 0.08194321928927 30.974 > 23 24 P 0.57709010013368 0.77762904410350 0.58194321928927 30.974 > 23 25 P 0.42290989986632 0.22237095589649 0.41805678071073 30.974 > 25 26 P 0.42290989986632 0.22237095589649 0.91805678071073 30.974 > 25 27 P 0.18965118919582 0.12037530028648 0.23461369244336 30.974 > 27 28 P 0.18965118919582 0.12037530028648 0.73461369244337 30.974 > 27 29 P 0.18965118919582 0.87962469971352 0.23461369244336 30.974 > 29 30 P 0.18965118919582 0.87962469971352 0.73461369244337 30.974 > 29 31 P 0.57709010013368 0.22237095589649 0.08194321928927 30.974 > 31 32 P 0.57709010013368 0.22237095589649 0.58194321928927 30.974 > 31 33 P 0.92290989986632 0.27762904410350 0.41805678071073 30.974 > 17 34 P 0.92290989986632 0.27762904410350 0.91805678071073 30.974 > 17 35 P 0.31034881080418 0.62037530028648 0.26538630755664 30.974 > 19 36 P 0.31034881080418 0.62037530028648 0.76538630755663 30.974 > 19 37 P 0.31034881080418 0.37962469971352 0.26538630755664 30.974 > 21 38 P 0.31034881080418 0.37962469971352 0.76538630755663 30.974 > 21 39 P 0.07709010013368 0.27762904410350 0.08194321928927 30.974 > 23 40 P 0.07709010013368 0.27762904410350 0.58194321928927 30.974 > 23 41 P 0.92290989986632 0.72237095589650 0.41805678071073 30.974 > 25 42 P 0.92290989986632 0.72237095589650 0.91805678071073 30.974 > 25 43 P 0.68965118919582 0.62037530028648 0.23461369244336 30.974 > 27 44 P 0.68965118919582 0.62037530028648 0.73461369244337 30.974 > 27 45 P 0.68965118919582 0.37962469971352 0.23461369244336 30.974 > 29 46 P 0.68965118919582 0.37962469971352 0.73461369244337 30.974 > 29 47 P 0.07709010013368 0.72237095589650 0.08194321928927 30.974 > 31 48 P 0.07709010013368 0.72237095589650 0.58194321928927 30.974 > 31 49 O 0.36182400050698 0.21197301413304 0.00800861490984 15.999 > 49 50 O 0.36182400050698 0.21197301413304 0.50800861490984 15.999 > 49 51 O 0.74865935100118 0.84791531409251 0.34709377501326 15.999 > 51 52 O 0.74865935100118 0.84791531409251 0.84709377501326 15.999 > 51 53 O 0.44701296953878 0.12267596752781 0.35617827323211 15.999 > 53 54 O 0.44701296953878 0.12267596752781 0.85617827323212 15.999 > 53 55 O 0.63817599949302 0.21197301413304 0.49199138509016 15.999 > 55 56 O 0.63817599949302 0.21197301413304 0.99199138509016 15.999 > 55 57 O 0.63817599949302 0.78802698586696 0.49199138509016 15.999 > 57 58 O 0.63817599949302 0.78802698586696 0.99199138509016 15.999 > 57 59 O 0.21618938786687 0.87437809115987 0.38172574086283 15.999 > 59 60 O 0.21618938786687 0.87437809115987 0.88172574086283 15.999 > 59 61 O 0.50000000000000 0.28623557665586 0.00000000000000 15.999 > 61 62 O 0.50000000000000 0.28623557665586 0.50000000000000 15.999 > 61 63 O 0.55298703046122 0.87732403247219 0.14382172676788 15.999 > 63 64 O 0.55298703046122 0.87732403247219 0.64382172676788 15.999 > 63 65 O 0.25134064899882 0.15208468590749 0.15290622498674 15.999 > 65 66 O 0.25134064899882 0.15208468590749 0.65290622498674 15.999 > 65 67 O 0.60762736603137 0.68496190512907 0.19105544556693 15.999 > 67 68 O 0.60762736603137 0.68496190512907 0.69105544556693 15.999 > 67 69 O 0.55298703046122 0.12267596752781 0.14382172676788 15.999 > 69 70 O 0.55298703046122 0.12267596752781 0.64382172676788 15.999 > 69 71 O 0.25134064899882 0.84791531409251 0.15290622498674 15.999 > 71 72 O 0.25134064899882 0.84791531409251 0.65290622498674 15.999 > 71 73 O 0.36182400050698 0.78802698586696 0.00800861490984 15.999 > 73 74 O 0.36182400050698 0.78802698586696 0.50800861490984 15.999 > 73 75 O 0.60762736603137 0.31503809487093 0.19105544556693 15.999 > 75 76 O 0.60762736603137 0.31503809487093 0.69105544556693 15.999 > 75 77 O 0.84150687355889 0.00000000000000 0.30390462987001 15.999 > 77 78 O 0.84150687355889 0.00000000000000 0.80390462987001 15.999 > 77 79 O 0.74865935100118 0.15208468590749 0.34709377501326 15.999 > 79 80 O 0.74865935100118 0.15208468590749 0.84709377501326 15.999 > 79 81 O 0.44701296953878 0.87732403247219 0.35617827323211 15.999 > 81 82 O 0.44701296953878 0.87732403247219 0.85617827323212 15.999 > 81 83 O 0.39237263396863 0.31503809487093 0.30894455443307 15.999 > 83 84 O 0.39237263396863 0.31503809487093 0.80894455443307 15.999 > 83 85 O 0.50000000000000 0.71376442334414 0.00000000000000 15.999 > 85 86 O 0.50000000000000 0.71376442334414 0.50000000000000 15.999 > 85 87 O 0.78381061213313 0.87437809115987 0.11827425913717 15.999 > 87 88 O 0.78381061213313 0.87437809115987 0.61827425913717 15.999 > 87 89 O 0.21618938786687 0.12562190884013 0.38172574086283 15.999 > 89 90 O 0.21618938786687 0.12562190884013 0.88172574086283 15.999 > 89 91 O 0.15849312644111 0.00000000000000 0.19609537012999 15.999 > 91 92 O 0.15849312644111 0.00000000000000 0.69609537012999 15.999 > 91 93 O 0.39237263396863 0.68496190512907 0.30894455443307 15.999 > 93 94 O 0.39237263396863 0.68496190512907 0.80894455443307 15.999 > 93 95 O 0.78381061213313 0.12562190884013 0.11827425913717 15.999 > 95 96 O 0.78381061213313 0.12562190884013 0.61827425913717 15.999 > 95 97 O 0.86182400050698 0.71197301413304 0.00800861490984 15.999 > 49 98 O 0.86182400050698 0.71197301413304 0.50800861490984 15.999 > 49 99 O 0.24865935100118 0.34791531409251 0.34709377501326 15.999 > 51 100 O 0.24865935100118 0.34791531409251 0.84709377501326 15.999 > 51 101 O 0.94701296953878 0.62267596752781 0.35617827323211 15.999 > 53 102 O 0.94701296953878 0.62267596752781 0.85617827323212 15.999 > 53 103 O 0.13817599949302 0.71197301413304 0.49199138509016 15.999 > 55 104 O 0.13817599949302 0.71197301413304 0.99199138509016 15.999 > 55 105 O 0.13817599949302 0.28802698586696 0.49199138509016 15.999 > 57 106 O 0.13817599949302 0.28802698586696 0.99199138509016 15.999 > 57 107 O 0.71618938786687 0.37437809115987 0.38172574086283 15.999 > 59 108 O 0.71618938786687 0.37437809115987 0.88172574086283 15.999 > 59 109 O 0.00000000000000 0.78623557665586 0.00000000000000 15.999 > 61 110 O 0.00000000000000 0.78623557665586 0.50000000000000 15.999 > 61 111 O 0.05298703046122 0.37732403247219 0.14382172676788 15.999 > 63 112 O 0.05298703046122 0.37732403247219 0.64382172676788 15.999 > 63 113 O 0.75134064899882 0.65208468590749 0.15290622498674 15.999 > 65 114 O 0.75134064899882 0.65208468590749 0.65290622498674 15.999 > 65 115 O 0.10762736603137 0.18496190512907 0.19105544556693 15.999 > 67 116 O 0.10762736603137 0.18496190512907 0.69105544556693 15.999 > 67 117 O 0.05298703046122 0.62267596752781 0.14382172676788 15.999 > 69 118 O 0.05298703046122 0.62267596752781 0.64382172676788 15.999 > 69 119 O 0.75134064899882 0.34791531409251 0.15290622498674 15.999 > 71 120 O 0.75134064899882 0.34791531409251 0.65290622498674 15.999 > 71 121 O 0.86182400050698 0.28802698586696 0.00800861490984 15.999 > 73 122 O 0.86182400050698 0.28802698586696 0.50800861490984 15.999 > 73 123 O 0.10762736603137 0.81503809487093 0.19105544556693 15.999 > 75 124 O 0.10762736603137 0.81503809487093 0.69105544556693 15.999 > 75 125 O 0.34150687355889 0.50000000000000 0.30390462987001 15.999 > 77 126 O 0.34150687355889 0.50000000000000 0.80390462987001 15.999 > 77 127 O 0.24865935100118 0.65208468590749 0.34709377501326 15.999 > 79 128 O 0.24865935100118 0.65208468590749 0.84709377501326 15.999 > 79 129 O 0.94701296953878 0.37732403247219 0.35617827323211 15.999 > 81 130 O 0.94701296953878 0.37732403247219 0.85617827323212 15.999 > 81 131 O 0.89237263396863 0.81503809487093 0.30894455443307 15.999 > 83 132 O 0.89237263396863 0.81503809487093 0.80894455443307 15.999 > 83 133 O 0.00000000000000 0.21376442334414 0.00000000000000 15.999 > 85 134 O 0.00000000000000 0.21376442334414 0.50000000000000 15.999 > 85 135 O 0.28381061213313 0.37437809115987 0.11827425913717 15.999 > 87 136 O 0.28381061213313 0.37437809115987 0.61827425913717 15.999 > 87 137 O 0.71618938786687 0.62562190884013 0.38172574086283 15.999 > 89 138 O 0.71618938786687 0.62562190884013 0.88172574086283 15.999 > 89 139 O 0.65849312644111 0.50000000000000 0.19609537012999 15.999 > 91 140 O 0.65849312644111 0.50000000000000 0.69609537012999 15.999 > 91 141 O 0.89237263396863 0.18496190512907 0.30894455443307 15.999 > 93 142 O 0.89237263396863 0.18496190512907 0.80894455443307 15.999 > 93 143 O 0.28381061213313 0.62562190884013 0.11827425913717 15.999 > 95 144 O 0.28381061213313 0.62562190884013 0.61827425913717 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.4118127 0.0000000 0.0270678 0.0000000 2.4002962 0.0000000 0.0270679 0.0000000 2.4257288 -------------------------- Born effective charges -------------------------- 1 K 1.1911368 -0.0000000 -0.0304412 -0.0000000 1.4251708 -0.0000000 -0.0119358 0.0000000 1.2323982 2 K 1.1911368 -0.0000000 -0.0304412 -0.0000000 1.4251708 -0.0000000 -0.0119358 0.0000000 1.2323982 3 Ga 3.4889734 0.1458254 -0.4427881 0.0864769 2.7857407 -0.0557528 -0.3264440 0.5487351 3.8485232 4 Ga 3.4889734 -0.1458254 -0.4427881 -0.0864769 2.7857407 0.0557528 -0.3264440 -0.5487351 3.8485232 5 P 4.0381883 0.2090339 0.5785365 0.4149079 2.7747629 0.4274644 0.3921944 0.0977987 3.1287407 6 P 2.9486031 0.2276064 0.1066401 -0.2442496 4.2904073 -0.2797828 0.1985818 0.4821508 3.4056553 7 P 2.9486031 -0.2276064 0.1066401 0.2442496 4.2904073 0.2797828 0.1985818 -0.4821508 3.4056553 8 P 4.0381883 -0.2090339 0.5785365 -0.4149079 2.7747629 -0.4274644 0.3921944 -0.0977987 3.1287407 9 P 4.0381883 -0.2090339 0.5785365 -0.4149079 2.7747629 -0.4274644 0.3921944 -0.0977987 3.1287407 10 P 2.9486031 -0.2276064 0.1066401 0.2442496 4.2904073 0.2797828 0.1985818 -0.4821508 3.4056553 11 P 2.9486031 0.2276064 0.1066401 -0.2442496 4.2904073 -0.2797828 0.1985818 0.4821508 3.4056553 12 P 4.0381883 0.2090339 0.5785365 0.4149079 2.7747629 0.4274644 0.3921944 0.0977987 3.1287407 13 O -2.3607685 0.1541049 0.5321170 0.1637685 -0.9290487 0.1079152 0.3729969 0.0186128 -1.2917190 14 O -1.4544423 -0.2167348 0.4504418 -0.3595849 -1.3945110 0.4224297 0.4623344 0.3724583 -1.6720734 15 O -1.2730349 0.2340947 -0.0069582 0.2697800 -1.3412440 -0.2398838 0.0254121 -0.2777476 -1.1814722 16 O -2.3607685 -0.1541049 0.5321170 -0.1637685 -0.9290487 -0.1079152 0.3729969 -0.0186128 -1.2917190 17 O -2.3607685 0.1541049 0.5321170 0.1637685 -0.9290487 0.1079152 0.3729969 0.0186128 -1.2917190 18 O -0.9314787 0.0714388 -0.1411928 0.1466260 -1.3648806 0.5574993 -0.1201410 0.4108795 -2.2140464 19 O -2.5145909 -0.0000000 -1.2356123 -0.0000000 -0.9575289 -0.0000000 -1.0271399 0.0000000 -1.4424589 20 O -1.2730349 0.2340947 -0.0069582 0.2697800 -1.3412440 -0.2398838 0.0254121 -0.2777476 -1.1814722 21 O -1.4544423 -0.2167348 0.4504418 -0.3595849 -1.3945110 0.4224297 0.4623344 0.3724583 -1.6720734 22 O -1.6834684 0.8880271 -0.6321877 0.8008504 -1.7675574 0.8254209 -0.5964324 0.9078500 -1.5123897 23 O -1.2730349 -0.2340947 -0.0069582 -0.2697800 -1.3412440 0.2398838 0.0254121 0.2777476 -1.1814722 24 O -1.4544423 0.2167348 0.4504418 0.3595849 -1.3945110 -0.4224297 0.4623344 -0.3724583 -1.6720734 25 O -2.3607685 -0.1541049 0.5321170 -0.1637685 -0.9290487 -0.1079152 0.3729969 -0.0186128 -1.2917190 26 O -1.6834684 -0.8880271 -0.6321877 -0.8008504 -1.7675574 -0.8254209 -0.5964324 -0.9078500 -1.5123897 27 O -0.7327164 -0.0000000 -0.0659520 -0.0000000 -3.7892397 -0.0000000 -0.1043726 0.0000000 -0.9638529 28 O -1.4544423 0.2167348 0.4504418 0.3595849 -1.3945110 -0.4224297 0.4623344 -0.3724583 -1.6720734 29 O -1.2730349 -0.2340947 -0.0069582 -0.2697800 -1.3412440 0.2398838 0.0254121 0.2777476 -1.1814722 30 O -1.6834684 0.8880271 -0.6321877 0.8008504 -1.7675574 0.8254209 -0.5964324 0.9078500 -1.5123897 31 O -2.5145909 -0.0000000 -1.2356123 -0.0000000 -0.9575289 -0.0000000 -1.0271399 0.0000000 -1.4424589 32 O -0.9314787 -0.0714388 -0.1411928 -0.1466260 -1.3648806 -0.5574993 -0.1201410 -0.4108795 -2.2140464 33 O -0.9314787 -0.0714388 -0.1411928 -0.1466260 -1.3648806 -0.5574993 -0.1201410 -0.4108795 -2.2140464 34 O -0.7327164 -0.0000000 -0.0659520 -0.0000000 -3.7892397 -0.0000000 -0.1043726 0.0000000 -0.9638529 35 O -1.6834684 -0.8880271 -0.6321877 -0.8008504 -1.7675574 -0.8254209 -0.5964324 -0.9078500 -1.5123897 36 O -0.9314787 0.0714388 -0.1411928 0.1466260 -1.3648806 0.5574993 -0.1201410 0.4108795 -2.2140464 ---------------------------------------------------------------------------- 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 19, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 53, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 59, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 61, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 67, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Computing fc3[ 77, 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] [-0.0019 0.0000 0.0098] [ 0.0019 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000027 (yzy) -0.00000027 (yzy) -0.00000027 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000010 (yx) -0.00000010 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:10:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:10:36]------------------------- 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: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.431982420268142 -6.154237010000002 0.000000000000000 b 8.431982420268142 6.154237010000002 0.000000000000000 c -0.981308449862750 0.000000000000000 5.062052344233047 Atomic positions (fractional): 1 K 0.59179207411306 0.59179207411306 0.74164319948121 39.098 2 K 0.40820792588694 0.40820792588694 0.25835680051879 39.098 3 Ga 0.00000000000000 0.50000000000000 0.00000000000000 69.723 4 Ga 0.50000000000000 0.00000000000000 0.00000000000000 69.723 5 P 0.64528085576281 0.20053894396982 0.83611356142145 30.974 6 P 0.68997351051770 0.93072411109066 0.53077261511327 30.974 7 P 0.93072411109066 0.68997351051770 0.53077261511327 30.974 8 P 0.79946105603018 0.35471914423719 0.16388643857855 30.974 9 P 0.20053894396982 0.64528085576281 0.83611356142145 30.974 10 P 0.06927588890934 0.31002648948230 0.46922738488673 30.974 11 P 0.31002648948230 0.06927588890934 0.46922738488673 30.974 12 P 0.35471914423719 0.79946105603018 0.16388643857855 30.974 13 O 0.14985098637395 0.57379701464002 0.01601722981968 15.999 14 O 0.90074403690867 0.59657466509369 0.69418755002653 15.999 15 O 0.32433700201097 0.56968893706659 0.71235654646423 15.999 16 O 0.42620298535998 0.85014901362605 0.98398277018032 15.999 17 O 0.85014901362605 0.42620298535998 0.98398277018032 15.999 18 O 0.34181129670700 0.09056747902674 0.76345148172566 15.999 19 O 0.21376442334414 0.78623557665586 0.00000000000000 15.999 20 O 0.67566299798903 0.43031106293341 0.28764345353577 15.999 21 O 0.09925596309133 0.40342533490631 0.30581244997347 15.999 22 O 0.92266546090230 0.29258927116043 0.38211089113387 15.999 23 O 0.43031106293341 0.67566299798903 0.28764345353577 15.999 24 O 0.40342533490631 0.09925596309133 0.30581244997347 15.999 25 O 0.57379701464002 0.14985098637395 0.01601722981968 15.999 26 O 0.29258927116043 0.92266546090230 0.38211089113387 15.999 27 O 0.84150687355889 0.84150687355889 0.60780925974002 15.999 28 O 0.59657466509369 0.90074403690867 0.69418755002653 15.999 29 O 0.56968893706659 0.32433700201097 0.71235654646423 15.999 30 O 0.07733453909770 0.70741072883957 0.61788910886613 15.999 31 O 0.78623557665586 0.21376442334414 0.00000000000000 15.999 32 O 0.90943252097326 0.65818870329300 0.23654851827434 15.999 33 O 0.09056747902674 0.34181129670700 0.76345148172566 15.999 34 O 0.15849312644111 0.15849312644111 0.39219074025998 15.999 35 O 0.70741072883957 0.07733453909770 0.61788910886613 15.999 36 O 0.65818870329300 0.90943252097326 0.23654851827434 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.863964840536283 0.000000000000000 0.000000000000000 b 0.000000000000000 12.308474020000004 0.000000000000000 c -1.962616899725500 0.000000000000000 10.124104688466094 Atomic positions (fractional): 1 K 0.59179207411306 0.00000000000000 0.37082159974061 39.098 > 1 2 K 0.59179207411306 0.00000000000000 0.87082159974061 39.098 > 1 3 K 0.40820792588694 0.00000000000000 0.12917840025940 39.098 > 3 4 K 0.40820792588694 0.00000000000000 0.62917840025939 39.098 > 3 5 K 0.09179207411306 0.50000000000000 0.37082159974061 39.098 > 1 6 K 0.09179207411306 0.50000000000000 0.87082159974061 39.098 > 1 7 K 0.90820792588694 0.50000000000000 0.12917840025940 39.098 > 3 8 K 0.90820792588694 0.50000000000000 0.62917840025939 39.098 > 3 9 Ga 0.75000000000000 0.75000000000000 0.00000000000000 69.723 > 9 10 Ga 0.75000000000000 0.75000000000000 0.50000000000000 69.723 > 9 11 Ga 0.75000000000000 0.25000000000000 0.00000000000000 69.723 > 11 12 Ga 0.75000000000000 0.25000000000000 0.50000000000000 69.723 > 11 13 Ga 0.25000000000000 0.25000000000000 0.00000000000000 69.723 > 9 14 Ga 0.25000000000000 0.25000000000000 0.50000000000000 69.723 > 9 15 Ga 0.25000000000000 0.75000000000000 0.00000000000000 69.723 > 11 16 Ga 0.25000000000000 0.75000000000000 0.50000000000000 69.723 > 11 17 P 0.42290989986632 0.77762904410350 0.41805678071073 30.974 > 17 18 P 0.42290989986632 0.77762904410350 0.91805678071073 30.974 > 17 19 P 0.81034881080418 0.12037530028648 0.26538630755664 30.974 > 19 20 P 0.81034881080418 0.12037530028648 0.76538630755663 30.974 > 19 21 P 0.81034881080418 0.87962469971352 0.26538630755664 30.974 > 21 22 P 0.81034881080418 0.87962469971352 0.76538630755663 30.974 > 21 23 P 0.57709010013368 0.77762904410350 0.08194321928927 30.974 > 23 24 P 0.57709010013368 0.77762904410350 0.58194321928927 30.974 > 23 25 P 0.42290989986632 0.22237095589649 0.41805678071073 30.974 > 25 26 P 0.42290989986632 0.22237095589649 0.91805678071073 30.974 > 25 27 P 0.18965118919582 0.12037530028648 0.23461369244336 30.974 > 27 28 P 0.18965118919582 0.12037530028648 0.73461369244337 30.974 > 27 29 P 0.18965118919582 0.87962469971352 0.23461369244336 30.974 > 29 30 P 0.18965118919582 0.87962469971352 0.73461369244337 30.974 > 29 31 P 0.57709010013368 0.22237095589649 0.08194321928927 30.974 > 31 32 P 0.57709010013368 0.22237095589649 0.58194321928927 30.974 > 31 33 P 0.92290989986632 0.27762904410350 0.41805678071073 30.974 > 17 34 P 0.92290989986632 0.27762904410350 0.91805678071073 30.974 > 17 35 P 0.31034881080418 0.62037530028648 0.26538630755664 30.974 > 19 36 P 0.31034881080418 0.62037530028648 0.76538630755663 30.974 > 19 37 P 0.31034881080418 0.37962469971352 0.26538630755664 30.974 > 21 38 P 0.31034881080418 0.37962469971352 0.76538630755663 30.974 > 21 39 P 0.07709010013368 0.27762904410350 0.08194321928927 30.974 > 23 40 P 0.07709010013368 0.27762904410350 0.58194321928927 30.974 > 23 41 P 0.92290989986632 0.72237095589650 0.41805678071073 30.974 > 25 42 P 0.92290989986632 0.72237095589650 0.91805678071073 30.974 > 25 43 P 0.68965118919582 0.62037530028648 0.23461369244336 30.974 > 27 44 P 0.68965118919582 0.62037530028648 0.73461369244337 30.974 > 27 45 P 0.68965118919582 0.37962469971352 0.23461369244336 30.974 > 29 46 P 0.68965118919582 0.37962469971352 0.73461369244337 30.974 > 29 47 P 0.07709010013368 0.72237095589650 0.08194321928927 30.974 > 31 48 P 0.07709010013368 0.72237095589650 0.58194321928927 30.974 > 31 49 O 0.36182400050698 0.21197301413304 0.00800861490984 15.999 > 49 50 O 0.36182400050698 0.21197301413304 0.50800861490984 15.999 > 49 51 O 0.74865935100118 0.84791531409251 0.34709377501326 15.999 > 51 52 O 0.74865935100118 0.84791531409251 0.84709377501326 15.999 > 51 53 O 0.44701296953878 0.12267596752781 0.35617827323211 15.999 > 53 54 O 0.44701296953878 0.12267596752781 0.85617827323212 15.999 > 53 55 O 0.63817599949302 0.21197301413304 0.49199138509016 15.999 > 55 56 O 0.63817599949302 0.21197301413304 0.99199138509016 15.999 > 55 57 O 0.63817599949302 0.78802698586696 0.49199138509016 15.999 > 57 58 O 0.63817599949302 0.78802698586696 0.99199138509016 15.999 > 57 59 O 0.21618938786687 0.87437809115987 0.38172574086283 15.999 > 59 60 O 0.21618938786687 0.87437809115987 0.88172574086283 15.999 > 59 61 O 0.50000000000000 0.28623557665586 0.00000000000000 15.999 > 61 62 O 0.50000000000000 0.28623557665586 0.50000000000000 15.999 > 61 63 O 0.55298703046122 0.87732403247219 0.14382172676788 15.999 > 63 64 O 0.55298703046122 0.87732403247219 0.64382172676788 15.999 > 63 65 O 0.25134064899882 0.15208468590749 0.15290622498674 15.999 > 65 66 O 0.25134064899882 0.15208468590749 0.65290622498674 15.999 > 65 67 O 0.60762736603137 0.68496190512907 0.19105544556693 15.999 > 67 68 O 0.60762736603137 0.68496190512907 0.69105544556693 15.999 > 67 69 O 0.55298703046122 0.12267596752781 0.14382172676788 15.999 > 69 70 O 0.55298703046122 0.12267596752781 0.64382172676788 15.999 > 69 71 O 0.25134064899882 0.84791531409251 0.15290622498674 15.999 > 71 72 O 0.25134064899882 0.84791531409251 0.65290622498674 15.999 > 71 73 O 0.36182400050698 0.78802698586696 0.00800861490984 15.999 > 73 74 O 0.36182400050698 0.78802698586696 0.50800861490984 15.999 > 73 75 O 0.60762736603137 0.31503809487093 0.19105544556693 15.999 > 75 76 O 0.60762736603137 0.31503809487093 0.69105544556693 15.999 > 75 77 O 0.84150687355889 0.00000000000000 0.30390462987001 15.999 > 77 78 O 0.84150687355889 0.00000000000000 0.80390462987001 15.999 > 77 79 O 0.74865935100118 0.15208468590749 0.34709377501326 15.999 > 79 80 O 0.74865935100118 0.15208468590749 0.84709377501326 15.999 > 79 81 O 0.44701296953878 0.87732403247219 0.35617827323211 15.999 > 81 82 O 0.44701296953878 0.87732403247219 0.85617827323212 15.999 > 81 83 O 0.39237263396863 0.31503809487093 0.30894455443307 15.999 > 83 84 O 0.39237263396863 0.31503809487093 0.80894455443307 15.999 > 83 85 O 0.50000000000000 0.71376442334414 0.00000000000000 15.999 > 85 86 O 0.50000000000000 0.71376442334414 0.50000000000000 15.999 > 85 87 O 0.78381061213313 0.87437809115987 0.11827425913717 15.999 > 87 88 O 0.78381061213313 0.87437809115987 0.61827425913717 15.999 > 87 89 O 0.21618938786687 0.12562190884013 0.38172574086283 15.999 > 89 90 O 0.21618938786687 0.12562190884013 0.88172574086283 15.999 > 89 91 O 0.15849312644111 0.00000000000000 0.19609537012999 15.999 > 91 92 O 0.15849312644111 0.00000000000000 0.69609537012999 15.999 > 91 93 O 0.39237263396863 0.68496190512907 0.30894455443307 15.999 > 93 94 O 0.39237263396863 0.68496190512907 0.80894455443307 15.999 > 93 95 O 0.78381061213313 0.12562190884013 0.11827425913717 15.999 > 95 96 O 0.78381061213313 0.12562190884013 0.61827425913717 15.999 > 95 97 O 0.86182400050698 0.71197301413304 0.00800861490984 15.999 > 49 98 O 0.86182400050698 0.71197301413304 0.50800861490984 15.999 > 49 99 O 0.24865935100118 0.34791531409251 0.34709377501326 15.999 > 51 100 O 0.24865935100118 0.34791531409251 0.84709377501326 15.999 > 51 101 O 0.94701296953878 0.62267596752781 0.35617827323211 15.999 > 53 102 O 0.94701296953878 0.62267596752781 0.85617827323212 15.999 > 53 103 O 0.13817599949302 0.71197301413304 0.49199138509016 15.999 > 55 104 O 0.13817599949302 0.71197301413304 0.99199138509016 15.999 > 55 105 O 0.13817599949302 0.28802698586696 0.49199138509016 15.999 > 57 106 O 0.13817599949302 0.28802698586696 0.99199138509016 15.999 > 57 107 O 0.71618938786687 0.37437809115987 0.38172574086283 15.999 > 59 108 O 0.71618938786687 0.37437809115987 0.88172574086283 15.999 > 59 109 O 0.00000000000000 0.78623557665586 0.00000000000000 15.999 > 61 110 O 0.00000000000000 0.78623557665586 0.50000000000000 15.999 > 61 111 O 0.05298703046122 0.37732403247219 0.14382172676788 15.999 > 63 112 O 0.05298703046122 0.37732403247219 0.64382172676788 15.999 > 63 113 O 0.75134064899882 0.65208468590749 0.15290622498674 15.999 > 65 114 O 0.75134064899882 0.65208468590749 0.65290622498674 15.999 > 65 115 O 0.10762736603137 0.18496190512907 0.19105544556693 15.999 > 67 116 O 0.10762736603137 0.18496190512907 0.69105544556693 15.999 > 67 117 O 0.05298703046122 0.62267596752781 0.14382172676788 15.999 > 69 118 O 0.05298703046122 0.62267596752781 0.64382172676788 15.999 > 69 119 O 0.75134064899882 0.34791531409251 0.15290622498674 15.999 > 71 120 O 0.75134064899882 0.34791531409251 0.65290622498674 15.999 > 71 121 O 0.86182400050698 0.28802698586696 0.00800861490984 15.999 > 73 122 O 0.86182400050698 0.28802698586696 0.50800861490984 15.999 > 73 123 O 0.10762736603137 0.81503809487093 0.19105544556693 15.999 > 75 124 O 0.10762736603137 0.81503809487093 0.69105544556693 15.999 > 75 125 O 0.34150687355889 0.50000000000000 0.30390462987001 15.999 > 77 126 O 0.34150687355889 0.50000000000000 0.80390462987001 15.999 > 77 127 O 0.24865935100118 0.65208468590749 0.34709377501326 15.999 > 79 128 O 0.24865935100118 0.65208468590749 0.84709377501326 15.999 > 79 129 O 0.94701296953878 0.37732403247219 0.35617827323211 15.999 > 81 130 O 0.94701296953878 0.37732403247219 0.85617827323212 15.999 > 81 131 O 0.89237263396863 0.81503809487093 0.30894455443307 15.999 > 83 132 O 0.89237263396863 0.81503809487093 0.80894455443307 15.999 > 83 133 O 0.00000000000000 0.21376442334414 0.00000000000000 15.999 > 85 134 O 0.00000000000000 0.21376442334414 0.50000000000000 15.999 > 85 135 O 0.28381061213313 0.37437809115987 0.11827425913717 15.999 > 87 136 O 0.28381061213313 0.37437809115987 0.61827425913717 15.999 > 87 137 O 0.71618938786687 0.62562190884013 0.38172574086283 15.999 > 89 138 O 0.71618938786687 0.62562190884013 0.88172574086283 15.999 > 89 139 O 0.65849312644111 0.50000000000000 0.19609537012999 15.999 > 91 140 O 0.65849312644111 0.50000000000000 0.69609537012999 15.999 > 91 141 O 0.89237263396863 0.18496190512907 0.30894455443307 15.999 > 93 142 O 0.89237263396863 0.18496190512907 0.80894455443307 15.999 > 93 143 O 0.28381061213313 0.62562190884013 0.11827425913717 15.999 > 95 144 O 0.28381061213313 0.62562190884013 0.61827425913717 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.4118127 0.0000000 0.0270678 0.0000000 2.4002962 0.0000000 0.0270679 0.0000000 2.4257288 -------------------------- Born effective charges -------------------------- 1 K 1.1911368 -0.0000000 -0.0304412 -0.0000000 1.4251708 -0.0000000 -0.0119358 0.0000000 1.2323982 2 K 1.1911368 -0.0000000 -0.0304412 -0.0000000 1.4251708 -0.0000000 -0.0119358 0.0000000 1.2323982 3 Ga 3.4889734 0.1458254 -0.4427881 0.0864769 2.7857407 -0.0557528 -0.3264440 0.5487351 3.8485232 4 Ga 3.4889734 -0.1458254 -0.4427881 -0.0864769 2.7857407 0.0557528 -0.3264440 -0.5487351 3.8485232 5 P 4.0381883 0.2090339 0.5785365 0.4149079 2.7747629 0.4274644 0.3921944 0.0977987 3.1287407 6 P 2.9486031 0.2276064 0.1066401 -0.2442496 4.2904073 -0.2797828 0.1985818 0.4821508 3.4056553 7 P 2.9486031 -0.2276064 0.1066401 0.2442496 4.2904073 0.2797828 0.1985818 -0.4821508 3.4056553 8 P 4.0381883 -0.2090339 0.5785365 -0.4149079 2.7747629 -0.4274644 0.3921944 -0.0977987 3.1287407 9 P 4.0381883 -0.2090339 0.5785365 -0.4149079 2.7747629 -0.4274644 0.3921944 -0.0977987 3.1287407 10 P 2.9486031 -0.2276064 0.1066401 0.2442496 4.2904073 0.2797828 0.1985818 -0.4821508 3.4056553 11 P 2.9486031 0.2276064 0.1066401 -0.2442496 4.2904073 -0.2797828 0.1985818 0.4821508 3.4056553 12 P 4.0381883 0.2090339 0.5785365 0.4149079 2.7747629 0.4274644 0.3921944 0.0977987 3.1287407 13 O -2.3607685 0.1541049 0.5321170 0.1637685 -0.9290487 0.1079152 0.3729969 0.0186128 -1.2917190 14 O -1.4544423 -0.2167348 0.4504418 -0.3595849 -1.3945110 0.4224297 0.4623344 0.3724583 -1.6720734 15 O -1.2730349 0.2340947 -0.0069582 0.2697800 -1.3412440 -0.2398838 0.0254121 -0.2777476 -1.1814722 16 O -2.3607685 -0.1541049 0.5321170 -0.1637685 -0.9290487 -0.1079152 0.3729969 -0.0186128 -1.2917190 17 O -2.3607685 0.1541049 0.5321170 0.1637685 -0.9290487 0.1079152 0.3729969 0.0186128 -1.2917190 18 O -0.9314787 0.0714388 -0.1411928 0.1466260 -1.3648806 0.5574993 -0.1201410 0.4108795 -2.2140464 19 O -2.5145909 -0.0000000 -1.2356123 -0.0000000 -0.9575289 -0.0000000 -1.0271399 0.0000000 -1.4424589 20 O -1.2730349 0.2340947 -0.0069582 0.2697800 -1.3412440 -0.2398838 0.0254121 -0.2777476 -1.1814722 21 O -1.4544423 -0.2167348 0.4504418 -0.3595849 -1.3945110 0.4224297 0.4623344 0.3724583 -1.6720734 22 O -1.6834684 0.8880271 -0.6321877 0.8008504 -1.7675574 0.8254209 -0.5964324 0.9078500 -1.5123897 23 O -1.2730349 -0.2340947 -0.0069582 -0.2697800 -1.3412440 0.2398838 0.0254121 0.2777476 -1.1814722 24 O -1.4544423 0.2167348 0.4504418 0.3595849 -1.3945110 -0.4224297 0.4623344 -0.3724583 -1.6720734 25 O -2.3607685 -0.1541049 0.5321170 -0.1637685 -0.9290487 -0.1079152 0.3729969 -0.0186128 -1.2917190 26 O -1.6834684 -0.8880271 -0.6321877 -0.8008504 -1.7675574 -0.8254209 -0.5964324 -0.9078500 -1.5123897 27 O -0.7327164 -0.0000000 -0.0659520 -0.0000000 -3.7892397 -0.0000000 -0.1043726 0.0000000 -0.9638529 28 O -1.4544423 0.2167348 0.4504418 0.3595849 -1.3945110 -0.4224297 0.4623344 -0.3724583 -1.6720734 29 O -1.2730349 -0.2340947 -0.0069582 -0.2697800 -1.3412440 0.2398838 0.0254121 0.2777476 -1.1814722 30 O -1.6834684 0.8880271 -0.6321877 0.8008504 -1.7675574 0.8254209 -0.5964324 0.9078500 -1.5123897 31 O -2.5145909 -0.0000000 -1.2356123 -0.0000000 -0.9575289 -0.0000000 -1.0271399 0.0000000 -1.4424589 32 O -0.9314787 -0.0714388 -0.1411928 -0.1466260 -1.3648806 -0.5574993 -0.1201410 -0.4108795 -2.2140464 33 O -0.9314787 -0.0714388 -0.1411928 -0.1466260 -1.3648806 -0.5574993 -0.1201410 -0.4108795 -2.2140464 34 O -0.7327164 -0.0000000 -0.0659520 -0.0000000 -3.7892397 -0.0000000 -0.1043726 0.0000000 -0.9638529 35 O -1.6834684 -0.8880271 -0.6321877 -0.8008504 -1.7675574 -0.8254209 -0.5964324 -0.9078500 -1.5123897 36 O -0.9314787 0.0714388 -0.1411928 0.1466260 -1.3648806 0.5574993 -0.1201410 0.4108795 -2.2140464 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000027 (yzy) -0.00000027 (yzy) -0.00000027 (yyz) 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 5 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 315, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/78) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 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 1.448 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.775 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.704 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 4.167 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.134 ( 0.000 0.000 0.000) 0.000 6.453 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 6.982 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.245 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 8.615 ( 0.000 0.000 0.000) 0.000 8.660 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.824 ( 0.000 0.000 0.000) 0.000 9.952 ( 0.000 0.000 0.000) 0.000 10.078 ( 0.000 0.000 0.000) 0.000 10.370 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.951 ( 0.000 0.000 0.000) 0.000 11.074 ( 0.000 0.000 0.000) 0.000 11.791 ( 0.000 0.000 0.000) 0.000 11.984 ( 0.000 0.000 0.000) 0.000 12.294 ( 0.000 0.000 0.000) 0.000 12.828 ( 0.000 0.000 0.000) 0.000 12.883 ( 0.000 0.000 0.000) 0.000 13.240 ( 0.000 0.000 0.000) 0.000 13.300 ( 0.000 0.000 0.000) 0.000 13.653 ( 0.000 0.000 0.000) 0.000 13.675 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 14.353 ( 0.000 0.000 0.000) 0.000 14.523 ( 0.000 0.000 0.000) 0.000 14.834 ( 0.000 0.000 0.000) 0.000 15.097 ( 0.000 0.000 0.000) 0.000 15.208 ( 0.000 0.000 0.000) 0.000 15.653 ( 0.000 0.000 0.000) 0.000 15.670 ( 0.000 0.000 0.000) 0.000 15.948 ( 0.000 0.000 0.000) 0.000 16.678 ( 0.000 0.000 0.000) 0.000 16.870 ( 0.000 0.000 0.000) 0.000 16.878 ( 0.000 0.000 0.000) 0.000 17.019 ( 0.000 0.000 0.000) 0.000 17.420 ( 0.000 0.000 0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 20.692 ( 0.000 0.000 0.000) 0.000 21.003 ( 0.000 0.000 0.000) 0.000 21.144 ( 0.000 0.000 0.000) 0.000 21.578 ( 0.000 0.000 0.000) 0.000 22.102 ( 0.000 0.000 0.000) 0.000 22.222 ( 0.000 0.000 0.000) 0.000 22.506 ( 0.000 0.000 0.000) 0.000 23.023 ( 0.000 0.000 0.000) 0.000 25.851 ( 0.000 0.000 0.000) 0.000 26.865 ( 0.000 0.000 0.000) 0.000 28.284 ( 0.000 0.000 0.000) 0.000 29.964 ( 0.000 0.000 0.000) 0.000 30.040 ( 0.000 0.000 0.000) 0.000 30.378 ( 0.000 0.000 0.000) 0.000 31.227 ( 0.000 0.000 0.000) 0.000 31.421 ( 0.000 0.000 0.000) 0.000 31.490 ( 0.000 0.000 0.000) 0.000 31.783 ( 0.000 0.000 0.000) 0.000 32.021 ( 0.000 0.000 0.000) 0.000 32.081 ( 0.000 0.000 0.000) 0.000 33.144 ( 0.000 0.000 0.000) 0.000 33.221 ( 0.000 0.000 0.000) 0.000 33.507 ( 0.000 0.000 0.000) 0.000 34.059 ( 0.000 0.000 0.000) 0.000 34.263 ( 0.000 0.000 0.000) 0.000 34.838 ( 0.000 0.000 0.000) 0.000 34.922 ( 0.000 0.000 0.000) 0.000 35.130 ( 0.000 0.000 0.000) 0.000 37.117 ( 0.000 0.000 0.000) 0.000 37.280 ( 0.000 0.000 0.000) 0.000 37.329 ( 0.000 0.000 0.000) 0.000 38.219 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/78) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 17.315 -21.810 2.064) 27.924 0.806 ( 54.538 -5.266 20.268) 58.420 1.056 ( 4.304 -57.299 -4.308) 57.621 1.527 ( 10.688 0.453 -4.510) 11.610 1.939 ( -5.670 9.947 -0.842) 11.480 2.180 ( -10.900 8.399 10.140) 17.094 2.356 ( 8.928 7.083 -5.724) 12.753 2.518 ( 0.906 9.606 -2.073) 9.869 2.685 ( -2.849 12.798 -3.220) 13.501 2.802 ( -1.036 -1.077 -5.884) 6.071 2.899 ( 0.286 0.380 6.801) 6.818 3.264 ( -7.081 2.543 -3.441) 8.274 3.375 ( -9.170 -8.519 0.106) 12.517 3.518 ( -2.813 -5.028 -10.374) 11.867 3.574 ( 0.820 -4.734 0.310) 4.815 3.609 ( -0.844 2.321 5.527) 6.054 3.957 ( 5.560 -6.102 -4.849) 9.574 4.026 ( 2.927 -9.396 4.675) 10.895 4.159 ( -1.722 0.137 0.263) 1.748 4.285 ( 1.701 -0.263 3.664) 4.048 4.693 ( -31.757 -0.526 -5.248) 32.193 4.773 ( -9.540 0.858 -2.352) 9.863 5.037 ( -3.320 14.534 7.056) 16.494 5.282 ( 0.494 -5.917 0.620) 5.970 5.415 ( 9.307 2.224 -4.765) 10.690 5.650 ( 30.311 -1.271 8.394) 31.477 5.925 ( -4.745 -1.028 -0.041) 4.855 6.014 ( 0.088 1.980 -2.387) 3.103 6.091 ( 1.936 -2.665 4.208) 5.344 6.161 ( -4.628 -0.578 2.231) 5.170 6.439 ( 3.227 5.212 -11.988) 13.464 6.588 ( -6.126 -0.855 -8.409) 10.439 6.670 ( -0.993 -5.790 -0.999) 5.959 6.940 ( 2.783 1.381 3.034) 4.343 7.025 ( -3.532 -4.272 -2.358) 6.024 7.069 ( -0.002 -0.457 5.632) 5.650 7.210 ( 8.186 1.078 -0.513) 8.273 7.379 ( 6.590 -3.923 -1.208) 7.764 7.791 ( -3.605 10.243 0.758) 10.885 8.406 ( -16.765 7.518 -5.779) 19.260 8.680 ( 5.373 0.834 3.001) 6.211 8.860 ( 7.372 1.735 -1.922) 7.813 9.035 ( -4.747 -7.984 -3.555) 9.946 9.296 ( 11.769 14.292 0.683) 18.527 9.612 ( -6.404 1.053 1.554) 6.674 9.765 ( 3.741 5.898 0.316) 6.991 10.053 ( 1.957 -4.554 -1.769) 5.263 10.164 ( 2.131 -1.783 0.451) 2.815 10.438 ( -1.051 -3.885 -2.998) 5.019 10.468 ( -5.082 -4.550 -1.000) 6.894 10.905 ( -2.700 0.816 -3.695) 4.649 11.114 ( 3.121 0.054 2.248) 3.847 11.826 ( 4.745 -0.031 3.108) 5.672 12.079 ( 6.633 7.736 6.797) 12.249 12.333 ( -2.165 2.159 0.817) 3.165 12.821 ( -3.016 -1.840 -4.713) 5.890 12.998 ( 1.975 -10.348 5.077) 11.694 13.210 ( -0.653 2.731 -1.607) 3.235 13.523 ( -11.115 -8.555 -6.479) 15.450 13.687 ( 4.422 1.340 4.806) 6.667 14.072 ( 14.653 14.315 13.791) 24.695 14.255 ( -1.455 1.141 -1.196) 2.202 14.351 ( 3.094 1.740 1.079) 3.710 14.659 ( -11.332 -1.831 1.018) 11.524 14.863 ( -10.801 -4.069 3.896) 12.182 15.093 ( 2.002 2.082 -2.099) 3.570 15.352 ( 0.379 -11.003 2.433) 11.275 15.652 ( 1.154 2.581 0.022) 2.827 15.687 ( 0.055 -1.886 -3.055) 3.590 16.205 ( -10.826 -4.473 -7.442) 13.878 16.773 ( 1.455 8.829 1.431) 9.061 16.791 ( -5.294 4.660 5.614) 9.015 16.964 ( -0.347 -9.589 -0.667) 9.618 17.126 ( 4.773 -1.843 8.779) 10.161 17.438 ( -0.187 -1.606 2.563) 3.031 17.772 ( -1.053 5.989 -0.198) 6.084 20.735 ( 3.229 0.867 1.115) 3.524 20.993 ( -0.655 0.672 -0.051) 0.940 21.179 ( 0.807 -3.211 1.186) 3.517 21.660 ( -1.075 -4.613 -0.231) 4.742 22.081 ( -0.592 1.707 -1.247) 2.195 22.198 ( 0.220 3.358 2.616) 4.262 22.496 ( -3.884 1.203 -1.927) 4.500 23.031 ( -0.047 -0.774 -0.158) 0.791 25.860 ( 0.159 -0.769 0.029) 0.786 27.239 ( 32.769 23.207 23.480) 46.515 29.946 ( 7.724 8.419 8.557) 14.274 30.047 ( -7.550 -4.969 1.979) 9.253 30.263 ( -25.390 -16.217 -4.785) 30.505 30.432 ( -38.150 -26.534 26.288) 53.391 31.320 ( 2.952 6.058 -6.711) 9.511 31.430 ( 1.496 1.427 -5.620) 5.988 31.641 ( 8.117 4.948 5.329) 10.898 31.956 ( -7.246 -3.809 7.058) 10.809 32.064 ( -0.090 -4.690 -1.511) 4.929 32.138 ( 1.654 -4.435 0.297) 4.743 33.052 ( -17.997 2.352 -1.411) 18.205 33.336 ( 24.306 24.408 -3.258) 34.599 33.763 ( 19.255 0.433 -4.204) 19.713 34.059 ( -0.384 -0.184 0.560) 0.703 34.313 ( 3.830 -3.516 0.311) 5.209 34.790 ( -2.579 3.121 -0.464) 4.075 34.960 ( -0.362 -3.534 -0.388) 3.574 35.115 ( -0.087 1.810 0.323) 1.840 37.170 ( 11.137 6.485 -7.653) 14.988 37.268 ( -6.546 -2.907 2.473) 7.578 37.856 ( -5.022 -4.835 -20.111) 21.285 38.229 ( 0.889 -0.445 -0.845) 1.305 ======================= Grid point 2 (3/78) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 7.864 -19.014 9.778) 22.781 1.427 ( 11.523 8.041 -16.239) 21.474 1.533 ( 19.062 -7.890 14.394) 25.156 1.635 ( 0.496 -7.191 -15.766) 17.335 1.863 ( -8.332 10.657 14.992) 20.193 2.090 ( 5.382 -24.185 9.349) 26.482 2.158 ( -1.819 19.139 -3.231) 19.495 2.424 ( 2.463 -1.723 -4.466) 5.383 2.581 ( -2.634 0.176 -2.612) 3.714 2.716 ( -7.336 8.138 -2.255) 11.186 2.919 ( 2.295 -1.121 0.752) 2.663 3.172 ( -2.344 -2.623 -0.924) 3.637 3.335 ( -4.155 1.032 -0.347) 4.295 3.527 ( -2.964 3.910 0.815) 4.974 3.558 ( -0.710 -1.256 -1.543) 2.113 3.731 ( 0.460 -8.320 -1.135) 8.410 3.971 ( -1.237 2.487 -1.664) 3.238 4.094 ( -2.306 0.520 -3.146) 3.935 4.186 ( 5.133 -0.245 -0.542) 5.168 4.354 ( -16.407 0.648 -0.303) 16.422 4.426 ( 3.011 -5.898 5.998) 8.935 4.661 ( -3.905 3.168 -4.086) 6.479 4.844 ( 0.343 5.907 4.765) 7.597 5.355 ( 0.658 -0.911 0.643) 1.295 5.539 ( 7.449 -7.419 -2.479) 10.802 5.788 ( -6.006 8.977 0.345) 10.806 5.870 ( 4.103 1.502 3.310) 5.482 6.015 ( 2.133 -0.570 -1.897) 2.911 6.152 ( -0.115 -0.691 1.129) 1.329 6.260 ( 9.769 -5.751 5.208) 12.475 6.388 ( 2.029 2.170 -1.937) 3.547 6.490 ( -7.022 -0.285 -8.404) 10.955 6.699 ( -1.670 0.487 -1.174) 2.098 6.960 ( -1.086 -0.606 2.916) 3.170 6.968 ( -0.004 3.007 -0.568) 3.061 7.214 ( 1.143 -13.514 -0.953) 13.596 7.326 ( 5.636 -0.785 4.457) 7.229 7.526 ( -0.063 7.788 4.241) 8.868 7.542 ( 6.746 4.247 -5.305) 9.576 8.059 ( -16.154 5.630 -3.515) 17.464 8.752 ( 3.841 -0.783 2.093) 4.444 8.885 ( 2.193 1.169 -0.802) 2.611 9.095 ( -2.377 -5.094 -1.664) 5.862 9.193 ( 1.846 7.214 -0.185) 7.448 9.540 ( -3.155 0.174 0.865) 3.276 9.734 ( 2.257 2.661 0.169) 3.493 10.085 ( -1.227 -1.161 -0.627) 1.801 10.258 ( 4.364 -1.628 0.733) 4.715 10.464 ( -5.668 -3.842 0.209) 6.851 10.477 ( 2.264 0.524 -1.630) 2.839 10.875 ( -0.464 -0.027 -1.560) 1.628 11.132 ( 0.756 0.559 0.744) 1.199 11.892 ( 3.893 0.078 2.530) 4.644 12.042 ( -0.604 1.506 0.058) 1.623 12.290 ( -0.817 0.768 0.405) 1.192 12.801 ( -1.992 -0.869 -2.761) 3.514 13.136 ( 0.183 1.227 -1.311) 1.805 13.245 ( 0.175 -11.085 5.915) 12.566 13.493 ( -2.887 2.099 -4.240) 5.542 13.715 ( 2.333 1.301 2.614) 3.737 14.029 ( 8.017 8.153 4.249) 12.199 14.194 ( -4.544 0.066 -1.857) 4.909 14.408 ( 9.911 2.100 1.028) 10.183 14.539 ( -12.503 -2.146 -0.722) 12.706 14.860 ( -3.675 -3.556 1.772) 5.413 15.084 ( 1.952 1.506 -1.225) 2.753 15.493 ( -2.154 -7.254 1.703) 7.757 15.598 ( 2.160 6.095 -0.318) 6.474 15.736 ( -1.472 -4.455 -2.695) 5.410 16.165 ( 1.699 1.233 -1.655) 2.673 16.660 ( -9.369 -1.621 -4.059) 10.338 16.675 ( 4.890 8.102 4.641) 10.540 17.112 ( 1.120 -6.701 -2.532) 7.250 17.196 ( 0.562 0.008 6.305) 6.330 17.469 ( -0.627 -1.830 2.119) 2.869 17.654 ( -0.169 5.325 -1.953) 5.674 20.761 ( 1.061 -0.246 0.445) 1.177 20.975 ( -0.352 0.448 0.026) 0.571 21.243 ( 0.521 -2.210 0.797) 2.406 21.722 ( 0.290 -2.522 0.221) 2.548 22.044 ( -0.249 1.217 -0.973) 1.578 22.150 ( 0.015 2.389 1.065) 2.616 22.433 ( -1.698 1.101 -0.978) 2.248 23.039 ( -0.124 -0.287 -0.170) 0.356 25.872 ( 0.062 -0.394 0.002) 0.399 27.303 ( 8.563 4.415 6.225) 11.470 29.935 ( 11.636 9.336 9.085) 17.467 30.006 ( -15.152 -8.175 -4.565) 17.812 30.282 ( 8.635 0.837 -9.231) 12.668 30.420 ( -21.167 -10.476 11.572) 26.300 31.259 ( 0.375 2.060 -0.369) 2.126 31.410 ( 0.705 1.188 -1.795) 2.265 31.670 ( 2.678 0.765 0.983) 2.953 31.951 ( -1.374 -0.607 1.934) 2.449 32.141 ( 1.856 -2.781 -1.084) 3.515 32.213 ( -0.426 -2.466 0.546) 2.562 32.846 ( -7.915 1.589 -0.618) 8.097 33.241 ( 5.994 8.080 -0.689) 10.084 33.895 ( 4.872 -0.192 -1.394) 5.071 34.059 ( -0.282 -0.114 0.404) 0.506 34.451 ( 5.601 -4.340 0.515) 7.104 34.689 ( -4.057 3.327 -0.618) 5.283 35.017 ( -0.118 -3.799 -0.667) 3.859 35.073 ( -0.134 3.176 0.875) 3.297 37.184 ( 8.107 4.196 -4.381) 10.126 37.236 ( -7.797 -3.401 3.190) 9.085 37.834 ( -1.024 -0.621 -4.636) 4.788 38.242 ( 0.471 -0.200 -0.440) 0.675 ======================= Grid point 6 (4/78) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 20.945 -0.000 3.694) 21.268 0.733 ( 27.018 -0.000 5.618) 27.596 1.431 ( 35.979 -0.000 4.462) 36.254 1.654 ( 10.798 -0.000 -7.429) 13.107 2.036 ( 4.779 -0.000 5.915) 7.604 2.099 ( -18.073 0.000 10.832) 21.070 2.452 ( -24.591 0.000 -15.914) 29.291 2.523 ( -0.614 0.000 -8.326) 8.348 2.558 ( 2.014 -0.000 -3.985) 4.465 2.877 ( 9.698 -0.000 -2.247) 9.955 3.071 ( 4.813 -0.000 6.453) 8.050 3.080 ( -7.212 0.000 -9.388) 11.839 3.226 ( -9.149 0.000 -2.968) 9.618 3.365 ( -5.304 0.000 1.990) 5.665 3.563 ( 2.697 -0.000 3.022) 4.050 3.615 ( -4.699 0.000 -2.089) 5.143 3.937 ( 9.080 -0.000 10.235) 13.682 4.039 ( 0.295 -0.000 -1.611) 1.638 4.190 ( 3.076 -0.000 -1.039) 3.247 4.330 ( 2.490 -0.000 4.514) 5.156 4.370 ( -17.535 0.000 1.779) 17.625 4.651 ( -6.516 0.000 -3.901) 7.595 5.099 ( -8.191 0.000 10.346) 13.196 5.242 ( 1.916 -0.000 -3.011) 3.569 5.577 ( 12.622 -0.000 -9.021) 15.514 5.788 ( -2.475 0.000 -3.370) 4.181 5.988 ( 10.509 -0.000 8.466) 13.495 6.008 ( -1.051 0.000 -3.634) 3.783 6.092 ( -2.707 0.000 6.367) 6.919 6.171 ( 10.360 -0.000 4.857) 11.442 6.440 ( -3.129 0.000 -9.218) 9.735 6.472 ( -5.768 0.000 -10.495) 11.976 6.655 ( 4.381 -0.000 -2.296) 4.946 6.916 ( -4.889 0.000 -0.986) 4.987 6.972 ( -1.131 0.000 2.215) 2.487 7.155 ( 6.931 -0.000 7.996) 10.582 7.226 ( -1.759 0.000 -3.793) 4.181 7.517 ( 20.619 -0.000 -1.161) 20.651 7.811 ( -9.281 0.000 5.462) 10.769 8.267 ( -16.966 0.000 -17.090) 24.082 8.709 ( 0.310 -0.000 3.679) 3.692 8.890 ( -2.707 0.000 -2.965) 4.014 8.955 ( 5.248 -0.000 -0.147) 5.250 9.536 ( -6.343 0.000 -0.476) 6.361 9.570 ( -5.327 0.000 -3.748) 6.514 9.767 ( -2.697 0.000 -2.345) 3.574 10.073 ( 6.464 -0.000 -3.459) 7.331 10.181 ( 6.101 -0.000 2.074) 6.444 10.241 ( -6.189 0.000 -2.069) 6.526 10.454 ( 0.315 -0.000 1.618) 1.649 10.865 ( -1.820 0.000 -4.934) 5.259 11.172 ( 3.453 -0.000 2.538) 4.285 11.916 ( 7.423 -0.000 4.866) 8.876 12.184 ( -6.213 0.000 -4.114) 7.452 12.439 ( -1.795 0.000 7.989) 8.188 12.691 ( -7.630 0.000 -7.398) 10.628 12.934 ( 1.621 -0.000 6.564) 6.761 13.254 ( 1.621 -0.000 -2.763) 3.203 13.348 ( 3.316 -0.000 -0.578) 3.366 13.819 ( 9.288 -0.000 8.683) 12.715 14.195 ( -5.684 0.000 -0.151) 5.686 14.424 ( 8.054 -0.000 9.732) 12.632 14.451 ( -9.933 0.000 0.101) 9.934 14.461 ( -2.420 0.000 17.449) 17.616 14.650 ( -5.542 0.000 -2.210) 5.967 15.173 ( 3.294 -0.000 1.380) 3.571 15.243 ( 1.742 -0.000 -0.582) 1.837 15.574 ( -3.312 0.000 -4.106) 5.276 15.744 ( 1.286 -0.000 -0.409) 1.349 16.102 ( 7.310 -0.000 -2.063) 7.596 16.639 ( -13.872 0.000 1.862) 13.996 16.698 ( -6.929 0.000 -4.621) 8.329 17.154 ( 7.567 -0.000 6.991) 10.303 17.165 ( 5.035 -0.000 4.907) 7.031 17.435 ( -0.029 0.000 4.918) 4.918 17.798 ( -3.367 0.000 0.144) 3.370 20.800 ( 2.481 -0.000 0.414) 2.515 21.002 ( -0.187 0.000 -0.679) 0.704 21.151 ( 0.621 -0.000 -0.062) 0.624 21.591 ( 0.824 -0.000 0.358) 0.899 22.082 ( -1.077 0.000 -1.442) 1.799 22.233 ( -1.167 0.000 4.271) 4.428 22.458 ( -3.195 0.000 -1.451) 3.509 23.034 ( 1.228 -0.000 0.222) 1.248 25.844 ( -0.570 0.000 -0.201) 0.604 28.444 ( 11.857 -0.000 6.335) 13.444 28.858 ( -18.230 0.000 54.783) 57.736 30.034 ( -12.240 0.000 -9.507) 15.499 30.159 ( 10.334 -0.000 17.342) 20.188 30.287 ( 8.989 -0.000 -5.055) 10.313 31.357 ( -1.228 0.000 -13.500) 13.556 31.442 ( -1.865 0.000 3.652) 4.101 31.661 ( -9.352 0.000 6.132) 11.183 31.800 ( 1.523 -0.000 0.611) 1.641 32.045 ( 1.730 -0.000 0.182) 1.739 32.235 ( 8.158 -0.000 1.921) 8.381 32.754 ( -25.398 0.000 -0.136) 25.398 33.761 ( 9.441 -0.000 0.521) 9.455 33.887 ( -3.989 0.000 -2.944) 4.957 34.183 ( 6.613 -0.000 0.889) 6.672 34.309 ( 3.536 -0.000 -0.176) 3.540 34.777 ( -4.763 0.000 -0.496) 4.789 34.922 ( 0.015 -0.000 0.078) 0.080 35.129 ( 0.064 -0.000 -0.610) 0.613 37.063 ( -10.481 0.000 4.179) 11.284 37.507 ( 7.394 -0.000 -3.024) 7.989 37.638 ( 7.335 -0.000 -37.783) 38.488 38.248 ( 2.095 -0.000 0.752) 2.226 ======================= Grid point 7 (5/78) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 9.806 -15.279 20.218) 27.173 1.262 ( 14.302 -29.824 0.250) 33.077 1.546 ( -9.703 1.154 -13.293) 16.497 1.703 ( -13.849 -9.159 -16.226) 23.216 1.776 ( -9.186 14.812 -4.338) 17.960 1.923 ( -2.152 8.667 0.592) 8.950 2.320 ( 2.196 5.272 9.350) 10.956 2.450 ( -0.677 0.717 -9.908) 9.957 2.572 ( 1.401 0.035 -0.366) 1.448 2.947 ( 7.357 15.249 0.777) 16.949 3.051 ( 9.553 4.021 1.754) 10.512 3.111 ( -0.378 -1.719 -0.499) 1.830 3.193 ( -0.302 -14.280 1.628) 14.375 3.429 ( 0.563 -8.672 -3.050) 9.210 3.556 ( -1.328 0.005 -2.055) 2.447 3.641 ( 1.490 -1.367 7.013) 7.299 3.997 ( -3.881 1.221 3.772) 5.549 4.016 ( -5.226 -1.814 7.138) 9.031 4.185 ( -3.244 3.634 -2.876) 5.656 4.343 ( 9.412 -4.752 1.670) 10.675 4.415 ( 9.317 -1.933 5.802) 11.145 4.582 ( -6.453 -1.377 -6.991) 9.613 4.965 ( -5.135 6.972 8.447) 12.097 5.299 ( 1.130 -5.126 -2.114) 5.659 5.620 ( 6.338 4.222 -10.651) 13.093 5.740 ( -6.018 -1.533 -2.993) 6.894 5.890 ( -10.824 4.862 -2.972) 12.232 6.037 ( 0.872 0.131 3.411) 3.523 6.121 ( 2.164 -1.004 2.004) 3.116 6.356 ( 5.274 -0.874 3.708) 6.506 6.401 ( -3.417 -0.030 -8.755) 9.398 6.453 ( 7.313 -3.365 1.615) 8.211 6.699 ( 4.175 0.846 1.312) 4.457 6.877 ( -6.799 -2.610 -0.812) 7.328 6.961 ( -2.077 -0.739 1.349) 2.585 7.145 ( 1.245 1.703 -1.306) 2.481 7.316 ( 3.281 -5.471 4.563) 7.843 7.592 ( -13.923 7.283 7.582) 17.447 7.769 ( 15.965 6.159 -5.013) 17.831 8.011 ( -3.023 3.133 -11.355) 12.161 8.700 ( -7.107 -2.664 3.277) 8.267 8.902 ( -2.048 -1.637 -3.294) 4.210 9.003 ( 3.049 -1.355 0.249) 3.346 9.374 ( -0.636 10.508 -1.048) 10.579 9.473 ( -4.874 -0.708 1.103) 5.047 9.779 ( -1.658 -1.316 -0.168) 2.123 10.096 ( 3.883 2.323 -2.516) 5.177 10.234 ( -7.364 -7.131 -1.949) 10.434 10.307 ( 5.800 -3.392 1.576) 6.901 10.475 ( -0.437 -2.334 0.168) 2.381 10.852 ( -0.219 -0.716 -3.017) 3.109 11.189 ( 1.988 2.271 1.682) 3.455 11.969 ( 2.424 3.913 2.221) 5.111 12.123 ( 0.375 -0.060 -0.289) 0.477 12.330 ( 0.511 7.886 3.839) 8.785 12.664 ( -6.026 -6.620 -5.573) 10.545 13.053 ( -0.342 -10.608 5.746) 12.069 13.212 ( 2.893 4.717 -0.372) 5.546 13.445 ( 1.085 -4.048 -4.049) 5.828 13.860 ( 5.595 8.001 6.049) 11.485 14.100 ( -7.940 2.105 -0.500) 8.230 14.309 ( -13.537 -0.832 -0.365) 13.567 14.376 ( 7.800 10.788 6.497) 14.813 14.561 ( 9.057 -2.319 0.655) 9.372 14.709 ( -2.884 -7.528 4.031) 9.013 15.154 ( 2.739 3.113 -0.773) 4.218 15.349 ( -2.057 -7.553 0.651) 7.855 15.599 ( -1.524 -6.148 -3.504) 7.239 15.748 ( 7.163 4.029 0.109) 8.219 16.170 ( 0.735 -1.481 -3.580) 3.943 16.428 ( -14.873 1.105 -3.477) 15.314 16.752 ( -3.623 -9.484 1.367) 10.244 17.169 ( 9.725 6.317 3.792) 12.201 17.230 ( 2.163 1.669 3.730) 4.624 17.450 ( -0.422 -0.823 4.645) 4.736 17.710 ( -3.317 4.415 -3.547) 6.563 20.821 ( 3.894 1.921 1.004) 4.456 20.979 ( -0.976 1.124 -0.418) 1.546 21.192 ( 0.150 -3.425 0.279) 3.440 21.654 ( 0.252 -5.171 -0.101) 5.179 22.054 ( -1.017 1.277 -1.195) 2.023 22.192 ( -1.845 3.069 1.651) 3.943 22.416 ( -2.323 -0.042 -0.914) 2.496 23.051 ( 1.673 0.380 0.591) 1.815 25.846 ( -0.917 -1.157 -0.385) 1.526 27.912 ( 17.166 40.865 16.056) 47.142 29.384 ( -18.966 -28.769 0.251) 34.459 29.943 ( -16.881 -15.693 -5.440) 23.682 30.293 ( 11.504 3.707 18.458) 22.063 30.465 ( 19.864 -0.956 -3.065) 20.122 31.279 ( -1.706 2.542 -8.637) 9.164 31.385 ( -7.107 0.045 1.942) 7.367 31.610 ( -7.433 -3.226 1.030) 8.168 31.878 ( -0.117 -5.736 1.298) 5.882 32.078 ( 2.351 -1.590 0.252) 2.849 32.298 ( 4.530 2.478 0.622) 5.200 32.527 ( -19.162 -6.458 0.866) 20.239 33.673 ( 8.232 16.548 -0.625) 18.493 33.885 ( -2.125 -1.105 -0.111) 2.398 34.140 ( 4.421 6.861 -0.142) 8.164 34.453 ( 5.905 -5.505 0.936) 8.127 34.684 ( -5.324 2.656 -1.406) 6.113 34.954 ( -0.104 -3.324 -0.093) 3.327 35.114 ( -0.125 1.756 0.457) 1.819 36.996 ( -9.796 -4.249 3.874) 11.359 37.470 ( 10.945 7.944 -9.339) 16.435 37.729 ( -1.455 -6.084 -8.491) 10.546 38.269 ( 1.993 0.893 0.826) 2.335 ======================= Grid point 8 (6/78) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -42.997 3.876 -7.800) 43.871 1.265 ( 7.313 -7.710 8.833) 13.818 1.411 ( -4.899 20.406 -4.155) 21.393 1.703 ( 0.442 -13.865 1.690) 13.975 1.789 ( -2.135 -0.901 -2.430) 3.358 1.837 ( 2.829 -11.261 -14.383) 18.485 2.283 ( -4.583 0.609 3.607) 5.864 2.537 ( 2.964 6.084 -2.830) 7.335 2.632 ( 6.973 1.860 6.708) 9.852 2.748 ( 5.828 4.863 -1.579) 7.753 2.993 ( -1.442 7.589 0.081) 7.725 3.201 ( 3.592 -2.884 -1.279) 4.781 3.289 ( -1.164 -3.803 0.619) 4.025 3.537 ( 0.325 -1.065 -1.455) 1.832 3.640 ( -8.729 -4.987 4.880) 11.175 3.678 ( 10.961 -0.576 -0.825) 11.007 3.965 ( 0.286 -2.481 2.648) 3.640 4.045 ( -1.817 -5.210 6.749) 8.717 4.133 ( 1.086 -1.509 -0.528) 1.932 4.459 ( -2.062 4.877 -5.365) 7.538 4.604 ( 9.512 -7.990 -0.650) 12.439 4.610 ( 12.428 -1.087 5.452) 13.615 4.855 ( 4.544 4.789 6.860) 9.521 5.358 ( -0.644 0.205 -1.936) 2.051 5.561 ( -18.227 2.930 -12.465) 22.275 5.660 ( 1.327 -3.156 -1.878) 3.905 5.731 ( -5.564 -1.547 -1.361) 5.933 6.016 ( -2.170 2.819 3.108) 4.724 6.170 ( 3.850 0.239 0.481) 3.887 6.309 ( -1.459 5.033 -6.289) 8.186 6.359 ( -2.843 1.144 3.361) 4.549 6.620 ( 8.992 0.210 6.533) 11.117 6.701 ( 0.713 0.959 3.551) 3.747 6.853 ( -2.821 -4.303 -1.437) 5.342 6.965 ( -1.930 -1.971 -1.944) 3.375 7.210 ( -0.369 -5.482 -3.391) 6.457 7.339 ( -10.476 1.528 4.838) 11.640 7.450 ( 2.271 -4.634 5.183) 7.314 7.546 ( -1.674 17.348 -8.579) 19.426 8.210 ( 19.817 -4.366 -1.030) 20.319 8.636 ( -11.427 -2.211 0.647) 11.657 8.859 ( -3.253 1.333 -0.645) 3.574 9.055 ( -0.529 -2.485 -0.299) 2.559 9.253 ( 2.088 5.449 0.626) 5.869 9.482 ( -1.543 -5.093 0.162) 5.324 9.750 ( -0.141 3.401 -0.026) 3.404 10.114 ( 2.498 -0.387 -1.044) 2.735 10.225 ( -4.921 -0.425 -0.804) 5.004 10.406 ( 1.029 -3.045 1.686) 3.629 10.519 ( 0.840 -2.653 -1.119) 2.999 10.859 ( -0.402 -1.199 -0.605) 1.401 11.166 ( 1.203 2.942 0.775) 3.271 11.889 ( -1.755 4.500 -0.834) 4.902 12.149 ( 5.650 5.031 2.788) 8.063 12.255 ( -2.343 -0.604 -0.540) 2.479 12.730 ( -2.028 -8.052 -1.450) 8.429 13.152 ( 0.123 -0.462 1.190) 1.282 13.306 ( 3.912 -5.339 7.076) 9.689 13.442 ( -1.351 -2.276 -9.416) 9.781 13.759 ( 0.318 8.136 0.593) 8.164 13.939 ( -6.002 6.929 0.364) 9.175 14.219 ( -6.120 -2.506 0.271) 6.619 14.328 ( 4.021 4.040 1.537) 5.903 14.687 ( 7.408 0.495 -0.785) 7.465 14.842 ( 0.871 -9.380 4.578) 10.474 15.100 ( -0.575 5.258 -1.835) 5.598 15.457 ( -0.404 -7.675 0.337) 7.693 15.626 ( 0.093 1.968 -1.434) 2.437 15.817 ( 8.886 1.812 0.799) 9.104 16.104 ( -8.136 1.248 1.246) 8.325 16.351 ( -7.217 -9.975 -6.595) 13.967 16.861 ( 3.349 -3.463 4.649) 6.694 17.194 ( 4.960 4.512 -0.672) 6.739 17.196 ( -1.037 3.383 1.432) 3.818 17.488 ( 1.414 -2.554 3.894) 4.867 17.594 ( -3.384 2.262 -5.046) 6.483 20.816 ( 2.492 4.243 0.849) 4.993 20.963 ( -0.650 -0.994 -0.287) 1.221 21.235 ( -0.776 -1.533 -0.372) 1.758 21.723 ( -0.124 -2.201 -0.206) 2.214 22.027 ( -0.587 -0.073 -0.366) 0.696 22.131 ( -1.200 1.398 -0.034) 1.843 22.419 ( 0.061 -2.155 0.343) 2.183 23.060 ( 1.223 0.830 0.541) 1.574 25.853 ( -0.938 -1.096 -0.411) 1.500 27.538 ( 6.764 28.667 4.641) 29.818 29.491 ( -12.507 -16.978 -9.180) 22.999 30.017 ( -7.492 -8.606 -0.455) 11.419 30.405 ( 9.330 2.989 14.028) 17.110 30.758 ( 26.441 -1.888 -5.401) 27.053 31.218 ( -2.999 0.059 -4.665) 5.546 31.306 ( -11.786 -3.986 2.282) 12.649 31.557 ( -7.476 -1.340 -0.514) 7.613 31.949 ( 0.306 -2.968 -0.254) 2.995 32.111 ( -0.519 1.979 1.572) 2.580 32.329 ( 5.517 -1.197 -0.947) 5.724 32.511 ( -12.493 -13.317 1.465) 18.319 33.519 ( 11.871 16.337 -0.186) 20.196 33.825 ( -7.514 1.623 1.117) 7.768 34.101 ( 1.816 2.668 -0.520) 3.269 34.481 ( -2.567 5.342 0.311) 5.935 34.671 ( 2.230 -4.317 -0.731) 4.914 35.014 ( 0.004 -3.923 -0.310) 3.935 35.075 ( -0.059 2.961 0.631) 3.028 36.978 ( -6.969 -4.919 2.944) 9.024 37.464 ( 9.047 6.581 -5.987) 12.689 37.780 ( -2.364 -5.309 0.450) 5.829 38.268 ( 0.983 1.628 1.007) 2.152 ======================= Grid point 9 (7/78) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.000 19.943 0.000) 19.943 0.932 ( 0.000 28.742 0.000) 28.742 1.443 ( -0.000 -3.499 -0.000) 3.499 1.849 ( -0.000 -5.273 -0.000) 5.273 1.966 ( 0.000 49.682 0.000) 49.682 2.006 ( -0.000 -25.614 -0.000) 25.614 2.096 ( -0.000 -17.945 -0.000) 17.945 2.276 ( -0.000 -1.344 -0.000) 1.344 2.601 ( -0.000 -0.757 -0.000) 0.757 2.830 ( 0.000 2.375 0.000) 2.375 2.943 ( 0.000 0.314 0.000) 0.314 3.281 ( -0.000 -2.940 -0.000) 2.940 3.413 ( -0.000 -7.354 -0.000) 7.354 3.566 ( -0.000 -1.701 -0.000) 1.701 3.595 ( 0.000 2.307 0.000) 2.307 3.679 ( 0.000 6.019 0.000) 6.019 4.025 ( 0.000 1.280 0.000) 1.280 4.134 ( -0.000 -0.954 -0.000) 0.954 4.184 ( -0.000 -0.914 -0.000) 0.914 4.311 ( 0.000 7.578 0.000) 7.578 4.744 ( -0.000 -12.004 -0.000) 12.004 4.758 ( -0.000 -5.958 -0.000) 5.958 5.073 ( -0.000 -3.678 -0.000) 3.678 5.250 ( 0.000 0.736 0.000) 0.736 5.350 ( 0.000 1.205 0.000) 1.205 5.497 ( 0.000 14.525 0.000) 14.525 5.864 ( -0.000 -10.407 -0.000) 10.407 5.979 ( -0.000 -0.704 -0.000) 0.704 6.176 ( 0.000 5.307 0.000) 5.307 6.204 ( 0.000 2.346 0.000) 2.346 6.357 ( -0.000 -2.900 -0.000) 2.900 6.689 ( 0.000 0.213 0.000) 0.213 6.706 ( 0.000 1.228 0.000) 1.228 6.886 ( -0.000 -1.520 -0.000) 1.520 7.009 ( -0.000 -6.375 -0.000) 6.375 7.148 ( 0.000 3.856 0.000) 3.856 7.234 ( 0.000 15.447 0.000) 15.447 7.382 ( -0.000 -1.797 -0.000) 1.797 7.609 ( -0.000 -12.429 -0.000) 12.429 8.476 ( -0.000 -7.036 -0.000) 7.036 8.540 ( -0.000 -1.205 -0.000) 1.205 8.807 ( 0.000 1.379 0.000) 1.379 9.086 ( -0.000 -2.638 -0.000) 2.638 9.204 ( 0.000 3.877 0.000) 3.877 9.589 ( -0.000 -8.267 -0.000) 8.267 9.685 ( 0.000 3.222 0.000) 3.222 10.138 ( 0.000 5.629 0.000) 5.629 10.150 ( -0.000 -1.143 -0.000) 1.143 10.441 ( -0.000 -0.736 -0.000) 0.736 10.550 ( 0.000 0.312 0.000) 0.312 10.889 ( -0.000 -2.679 -0.000) 2.679 11.124 ( 0.000 2.907 0.000) 2.907 11.815 ( 0.000 2.386 0.000) 2.386 12.073 ( 0.000 6.322 0.000) 6.322 12.297 ( -0.000 -4.007 -0.000) 4.007 12.829 ( -0.000 -3.878 -0.000) 3.878 13.176 ( -0.000 -1.804 -0.000) 1.804 13.188 ( 0.000 13.371 0.000) 13.371 13.654 ( 0.000 3.172 0.000) 3.172 13.673 ( -0.000 -16.819 -0.000) 16.819 13.770 ( 0.000 6.945 0.000) 6.945 14.224 ( -0.000 -2.010 -0.000) 2.010 14.331 ( -0.000 -0.390 -0.000) 0.390 14.728 ( -0.000 -0.350 -0.000) 0.350 14.981 ( 0.000 5.657 0.000) 5.657 15.012 ( -0.000 -6.849 -0.000) 6.849 15.532 ( 0.000 9.518 0.000) 9.518 15.566 ( -0.000 -5.268 -0.000) 5.268 15.771 ( 0.000 6.783 0.000) 6.783 16.174 ( -0.000 -12.626 -0.000) 12.626 16.465 ( -0.000 -9.941 -0.000) 9.941 16.949 ( -0.000 -0.239 -0.000) 0.239 17.094 ( 0.000 7.244 0.000) 7.244 17.125 ( 0.000 4.676 0.000) 4.676 17.482 ( 0.000 3.720 0.000) 3.720 17.648 ( -0.000 -9.118 -0.000) 9.118 20.756 ( 0.000 4.079 0.000) 4.079 20.985 ( -0.000 -1.319 -0.000) 1.319 21.218 ( 0.000 2.360 0.000) 2.360 21.715 ( 0.000 2.325 0.000) 2.325 22.049 ( -0.000 -2.478 -0.000) 2.478 22.136 ( -0.000 -2.771 -0.000) 2.771 22.475 ( -0.000 -3.726 -0.000) 3.726 23.052 ( 0.000 1.150 0.000) 1.150 25.858 ( -0.000 -0.299 -0.000) 0.299 27.163 ( 0.000 19.850 0.000) 19.850 29.678 ( -0.000 -15.647 -0.000) 15.647 30.044 ( -0.000 -1.205 -0.000) 1.205 30.439 ( 0.000 2.941 0.000) 2.941 31.073 ( 0.000 1.542 0.000) 1.542 31.140 ( -0.000 -5.152 -0.000) 5.152 31.297 ( -0.000 -7.397 -0.000) 7.397 31.506 ( 0.000 0.664 0.000) 0.664 31.995 ( -0.000 -1.964 -0.000) 1.964 32.044 ( 0.000 3.486 0.000) 3.486 32.339 ( 0.000 5.988 0.000) 5.988 32.705 ( -0.000 -19.394 -0.000) 19.394 33.391 ( 0.000 11.171 0.000) 11.171 33.696 ( 0.000 5.190 0.000) 5.190 34.082 ( 0.000 1.297 0.000) 1.297 34.363 ( 0.000 5.638 0.000) 5.638 34.753 ( -0.000 -3.546 -0.000) 3.546 35.022 ( 0.000 3.552 0.000) 3.552 35.073 ( -0.000 -3.250 -0.000) 3.250 37.014 ( -0.000 -4.676 -0.000) 4.676 37.409 ( 0.000 6.263 0.000) 6.263 37.862 ( -0.000 -5.516 -0.000) 5.516 38.247 ( 0.000 1.606 0.000) 1.606 ======================= Grid point 12 (8/78) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( -9.795 0.000 -4.860) 10.934 1.129 ( -24.993 0.000 -1.738) 25.053 1.176 ( 1.357 -0.000 19.149) 19.197 1.630 ( 10.899 -0.000 -26.233) 28.407 1.864 ( -1.476 0.000 -3.852) 4.125 2.035 ( -6.888 0.000 -5.885) 9.059 2.308 ( -10.803 0.000 3.389) 11.322 2.499 ( 12.135 -0.000 0.447) 12.144 2.595 ( 3.654 -0.000 5.972) 7.001 2.944 ( -11.679 0.000 -5.077) 12.735 2.993 ( 2.436 -0.000 -4.718) 5.309 3.176 ( 1.962 -0.000 2.907) 3.507 3.373 ( 15.709 -0.000 1.272) 15.761 3.405 ( 7.233 -0.000 -0.556) 7.254 3.554 ( 2.326 -0.000 -1.990) 3.061 3.607 ( -6.169 0.000 9.220) 11.093 3.978 ( 1.240 -0.000 12.877) 12.937 3.981 ( -3.146 0.000 2.836) 4.236 4.225 ( -6.675 0.000 -6.413) 9.257 4.272 ( 1.405 -0.000 -1.686) 2.195 4.525 ( -0.049 0.000 -3.057) 3.057 4.645 ( 24.303 -0.000 6.531) 25.165 4.980 ( -3.137 0.000 9.407) 9.916 5.266 ( 1.954 -0.000 -1.599) 2.525 5.546 ( -20.304 0.000 -17.789) 26.994 5.642 ( -5.184 0.000 -2.807) 5.895 5.852 ( -1.271 0.000 -1.121) 1.695 6.051 ( -0.439 0.000 3.210) 3.240 6.172 ( 5.446 -0.000 1.206) 5.578 6.344 ( -3.239 0.000 0.579) 3.290 6.365 ( -0.150 0.000 -4.365) 4.368 6.531 ( 10.693 -0.000 5.320) 11.943 6.758 ( -7.427 0.000 -2.834) 7.949 6.800 ( 6.718 -0.000 0.911) 6.779 6.952 ( -1.230 0.000 1.898) 2.262 7.178 ( 2.222 -0.000 -2.226) 3.145 7.316 ( 3.230 -0.000 3.742) 4.944 7.452 ( -19.738 0.000 4.201) 20.180 7.959 ( -2.617 0.000 -9.463) 9.818 8.081 ( 23.462 -0.000 -1.745) 23.527 8.556 ( -13.214 0.000 2.900) 13.528 8.865 ( -0.155 0.000 -1.611) 1.618 9.034 ( 1.537 -0.000 0.203) 1.550 9.423 ( -2.521 0.000 1.487) 2.927 9.447 ( -3.205 0.000 -1.277) 3.450 9.724 ( -0.138 0.000 -1.145) 1.154 10.087 ( -4.232 0.000 -0.040) 4.232 10.174 ( 2.468 -0.000 -1.196) 2.743 10.344 ( 5.335 -0.000 -2.006) 5.700 10.443 ( -1.606 0.000 2.781) 3.212 10.844 ( 0.515 -0.000 -1.886) 1.955 11.228 ( 0.837 -0.000 0.955) 1.270 12.053 ( -2.759 0.000 -1.323) 3.059 12.077 ( 3.285 -0.000 2.421) 4.081 12.449 ( 0.332 -0.000 2.895) 2.914 12.505 ( -4.259 0.000 -4.074) 5.894 12.972 ( -0.032 0.000 2.733) 2.733 13.287 ( 1.700 -0.000 -1.920) 2.565 13.424 ( 2.255 -0.000 0.211) 2.265 14.031 ( -5.483 0.000 -0.437) 5.501 14.033 ( 4.220 -0.000 6.636) 7.864 14.157 ( -8.553 0.000 -3.613) 9.285 14.484 ( -0.044 0.000 6.239) 6.239 14.636 ( 1.392 -0.000 0.038) 1.392 14.690 ( 8.110 -0.000 1.802) 8.308 15.216 ( -0.193 0.000 0.943) 0.963 15.221 ( -2.455 0.000 -2.024) 3.181 15.545 ( 1.534 -0.000 -1.382) 2.065 15.894 ( 11.520 -0.000 0.456) 11.529 16.128 ( -2.089 0.000 -4.759) 5.197 16.276 ( -15.992 0.000 -0.310) 15.995 16.628 ( 0.668 -0.000 0.763) 1.014 17.251 ( 1.209 -0.000 1.486) 1.916 17.356 ( 7.184 -0.000 -0.307) 7.190 17.447 ( -1.481 0.000 5.851) 6.035 17.701 ( -3.463 0.000 -2.123) 4.062 20.883 ( 3.794 -0.000 0.784) 3.874 20.973 ( -2.113 0.000 -0.941) 2.313 21.167 ( 0.451 -0.000 0.097) 0.461 21.611 ( 0.527 -0.000 0.146) 0.546 22.053 ( -0.690 0.000 -0.623) 0.930 22.199 ( -1.795 0.000 0.940) 2.026 22.382 ( -1.880 0.000 -0.868) 2.070 23.078 ( 1.542 -0.000 0.696) 1.692 25.828 ( -0.514 0.000 -0.194) 0.550 28.712 ( -5.684 0.000 10.727) 12.140 28.865 ( 18.639 -0.000 11.236) 21.764 29.510 ( -21.190 0.000 -14.710) 25.796 30.466 ( 7.009 -0.000 10.507) 12.630 30.708 ( 23.256 -0.000 -1.934) 23.336 31.232 ( -17.997 0.000 1.669) 18.075 31.264 ( -1.419 0.000 -7.518) 7.651 31.500 ( -4.689 0.000 1.511) 4.926 31.847 ( 1.430 -0.000 0.566) 1.538 32.086 ( 1.335 -0.000 -0.359) 1.382 32.271 ( -11.818 0.000 1.371) 11.897 32.391 ( 3.664 -0.000 0.595) 3.712 33.805 ( -1.803 0.000 -0.699) 1.934 33.894 ( 2.333 -0.000 0.024) 2.333 34.343 ( 5.526 -0.000 1.218) 5.659 34.390 ( 2.374 -0.000 -0.165) 2.380 34.638 ( -5.463 0.000 -0.754) 5.515 34.923 ( 0.001 -0.000 0.080) 0.080 35.128 ( -0.028 0.000 -0.038) 0.047 36.886 ( -4.695 0.000 1.766) 5.017 37.619 ( 2.678 -0.000 -1.031) 2.869 37.638 ( 1.709 -0.000 -8.962) 9.124 38.301 ( 1.482 -0.000 0.469) 1.554 ======================= Grid point 13 (9/78) ======================= q-point: (-0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.000 -8.487 -0.000) 8.487 1.204 ( -0.000 -8.584 -0.000) 8.584 1.432 ( -0.000 -29.337 -0.000) 29.337 1.714 ( 0.000 15.382 0.000) 15.382 1.716 ( 0.000 6.309 0.000) 6.309 1.752 ( 0.000 5.455 0.000) 5.455 2.233 ( 0.000 0.180 0.000) 0.180 2.568 ( -0.000 -0.293 -0.000) 0.293 2.727 ( 0.000 5.448 0.000) 5.448 2.849 ( -0.000 -9.586 -0.000) 9.586 3.077 ( 0.000 1.445 0.000) 1.445 3.182 ( -0.000 -3.665 -0.000) 3.665 3.314 ( 0.000 12.861 0.000) 12.861 3.516 ( -0.000 -1.879 -0.000) 1.879 3.531 ( -0.000 -0.588 -0.000) 0.588 3.657 ( -0.000 -8.134 -0.000) 8.134 3.957 ( 0.000 0.551 0.000) 0.551 4.017 ( 0.000 2.416 0.000) 2.416 4.134 ( -0.000 -0.694 -0.000) 0.694 4.393 ( -0.000 -10.980 -0.000) 10.980 4.514 ( 0.000 1.068 0.000) 1.068 4.804 ( 0.000 4.284 0.000) 4.284 5.032 ( 0.000 0.961 0.000) 0.961 5.275 ( 0.000 0.651 0.000) 0.651 5.338 ( -0.000 -5.927 -0.000) 5.927 5.630 ( -0.000 -2.765 -0.000) 2.765 5.775 ( 0.000 7.679 0.000) 7.679 6.044 ( 0.000 0.946 0.000) 0.946 6.206 ( 0.000 0.599 0.000) 0.599 6.342 ( -0.000 -1.375 -0.000) 1.375 6.351 ( 0.000 1.459 0.000) 1.459 6.682 ( -0.000 -1.588 -0.000) 1.588 6.703 ( -0.000 -4.112 -0.000) 4.112 6.825 ( 0.000 1.370 0.000) 1.370 6.909 ( 0.000 2.170 0.000) 2.170 7.228 ( 0.000 1.914 0.000) 1.914 7.243 ( 0.000 1.720 0.000) 1.720 7.385 ( -0.000 -4.690 -0.000) 4.690 7.812 ( 0.000 14.025 0.000) 14.025 8.309 ( -0.000 -3.328 -0.000) 3.328 8.467 ( -0.000 -4.324 -0.000) 4.324 8.856 ( 0.000 0.819 0.000) 0.819 9.042 ( -0.000 -0.025 -0.000) 0.025 9.359 ( 0.000 6.179 0.000) 6.179 9.415 ( -0.000 -1.316 -0.000) 1.316 9.758 ( -0.000 -2.249 -0.000) 2.249 10.124 ( -0.000 -6.135 -0.000) 6.135 10.147 ( 0.000 2.873 0.000) 2.873 10.421 ( 0.000 1.248 0.000) 1.248 10.439 ( -0.000 -5.717 -0.000) 5.717 10.846 ( -0.000 -0.160 -0.000) 0.160 11.218 ( 0.000 1.959 0.000) 1.959 11.969 ( 0.000 5.817 0.000) 5.817 12.150 ( -0.000 -4.306 -0.000) 4.306 12.353 ( 0.000 8.492 0.000) 8.492 12.570 ( -0.000 -7.943 -0.000) 7.943 13.054 ( -0.000 -8.490 -0.000) 8.490 13.289 ( -0.000 -0.459 -0.000) 0.459 13.430 ( 0.000 1.551 0.000) 1.551 13.939 ( 0.000 10.976 0.000) 10.976 13.991 ( 0.000 3.304 0.000) 3.304 14.116 ( -0.000 -3.455 -0.000) 3.455 14.507 ( 0.000 11.096 0.000) 11.096 14.649 ( -0.000 -12.724 -0.000) 12.724 14.739 ( 0.000 0.650 0.000) 0.650 15.181 ( 0.000 4.027 0.000) 4.027 15.304 ( -0.000 -9.859 -0.000) 9.859 15.589 ( -0.000 -3.538 -0.000) 3.538 16.003 ( 0.000 0.941 0.000) 0.941 16.048 ( 0.000 7.834 0.000) 7.834 16.165 ( -0.000 -6.153 -0.000) 6.153 16.730 ( -0.000 -9.837 -0.000) 9.837 17.241 ( 0.000 2.170 0.000) 2.170 17.356 ( 0.000 6.493 0.000) 6.493 17.451 ( -0.000 -2.021 -0.000) 2.021 17.630 ( 0.000 4.551 0.000) 4.551 20.914 ( 0.000 3.960 0.000) 3.960 20.930 ( -0.000 -1.385 -0.000) 1.385 21.193 ( -0.000 -2.493 -0.000) 2.493 21.658 ( -0.000 -4.569 -0.000) 4.569 22.036 ( 0.000 1.238 0.000) 1.238 22.162 ( 0.000 2.810 0.000) 2.810 22.383 ( -0.000 -1.572 -0.000) 1.572 23.083 ( 0.000 0.706 0.000) 0.706 25.831 ( -0.000 -0.788 -0.000) 0.788 28.194 ( 0.000 40.583 0.000) 40.583 29.154 ( -0.000 -11.924 -0.000) 11.924 29.682 ( -0.000 -26.226 -0.000) 26.226 30.510 ( 0.000 1.422 0.000) 1.422 30.995 ( -0.000 -1.704 -0.000) 1.704 31.008 ( -0.000 -2.807 -0.000) 2.807 31.235 ( 0.000 1.113 0.000) 1.113 31.492 ( -0.000 -1.711 -0.000) 1.711 31.890 ( -0.000 -3.579 -0.000) 3.579 32.167 ( -0.000 -9.277 -0.000) 9.277 32.174 ( 0.000 3.152 0.000) 3.152 32.417 ( -0.000 -0.076 -0.000) 0.076 33.786 ( 0.000 0.966 0.000) 0.966 33.833 ( 0.000 9.777 0.000) 9.777 34.200 ( 0.000 9.107 0.000) 9.107 34.556 ( 0.000 4.665 0.000) 4.665 34.574 ( -0.000 -8.858 -0.000) 8.858 34.953 ( -0.000 -3.229 -0.000) 3.229 35.114 ( 0.000 1.709 0.000) 1.709 36.881 ( -0.000 -2.605 -0.000) 2.605 37.602 ( 0.000 4.135 0.000) 4.135 37.673 ( -0.000 -4.450 -0.000) 4.450 38.301 ( 0.000 1.201 0.000) 1.201 ======================= Grid point 27 (10/78) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( -8.431 0.000 22.713) 24.227 0.575 ( 22.575 -0.000 29.074) 36.809 1.064 ( -0.302 0.000 50.155) 50.156 1.357 ( 3.082 -0.000 3.532) 4.688 2.020 ( 4.043 -0.000 -4.688) 6.190 2.295 ( -9.401 0.000 -4.155) 10.278 2.507 ( 4.506 -0.000 4.630) 6.461 2.523 ( -0.727 0.000 -5.395) 5.444 2.734 ( -1.963 0.000 -5.819) 6.141 2.844 ( -14.807 0.000 4.793) 15.563 3.145 ( 1.569 -0.000 7.572) 7.733 3.329 ( -13.366 0.000 5.045) 14.286 3.458 ( 7.646 -0.000 5.303) 9.305 3.525 ( -4.484 0.000 9.823) 10.798 3.534 ( -7.063 0.000 4.059) 8.146 3.649 ( -1.806 0.000 -1.975) 2.676 3.893 ( 10.649 -0.000 14.282) 17.815 3.946 ( -2.780 0.000 -1.022) 2.962 4.275 ( -0.291 0.000 1.272) 1.304 4.342 ( 0.773 -0.000 6.659) 6.703 4.643 ( -5.038 0.000 -5.735) 7.633 4.856 ( -9.460 0.000 -11.832) 15.149 5.063 ( 12.236 -0.000 -11.618) 16.874 5.199 ( -1.883 0.000 0.245) 1.899 5.425 ( 21.742 -0.000 7.158) 22.890 5.517 ( -6.959 0.000 -1.072) 7.041 5.865 ( 1.348 -0.000 -3.467) 3.720 6.052 ( -2.625 0.000 10.886) 11.198 6.192 ( 5.403 -0.000 9.055) 10.545 6.222 ( -1.255 0.000 9.025) 9.112 6.580 ( -13.038 0.000 -4.091) 13.665 6.628 ( -6.378 0.000 2.040) 6.696 6.727 ( -13.870 0.000 1.745) 13.979 6.963 ( 3.845 -0.000 0.302) 3.857 6.970 ( 1.971 -0.000 -0.636) 2.071 7.082 ( 4.217 -0.000 4.428) 6.115 7.316 ( -0.488 0.000 5.682) 5.703 7.390 ( -13.700 0.000 -3.389) 14.113 8.044 ( 0.259 -0.000 -6.574) 6.580 8.661 ( 2.933 -0.000 -2.126) 3.623 8.683 ( -10.903 0.000 4.816) 11.919 8.869 ( -0.689 0.000 -5.082) 5.129 8.951 ( -20.261 0.000 -1.643) 20.327 9.314 ( -1.850 0.000 -6.188) 6.459 9.677 ( 2.755 -0.000 1.153) 2.987 9.820 ( -3.500 0.000 -0.643) 3.558 9.957 ( -5.626 0.000 0.107) 5.627 10.047 ( 3.221 -0.000 -2.855) 4.304 10.325 ( -0.845 0.000 -3.266) 3.374 10.414 ( 1.720 -0.000 -0.569) 1.812 10.869 ( -7.080 0.000 -7.118) 10.040 11.085 ( 5.389 -0.000 0.374) 5.402 11.834 ( 4.525 -0.000 3.838) 5.933 12.217 ( -2.456 0.000 -5.473) 5.999 12.332 ( 21.046 -0.000 0.052) 21.046 12.777 ( -7.935 0.000 -5.823) 9.842 13.041 ( 3.195 -0.000 14.078) 14.436 13.204 ( -3.042 0.000 -3.549) 4.674 13.270 ( 1.447 -0.000 -1.949) 2.427 13.748 ( 6.768 -0.000 8.184) 10.620 14.094 ( 33.544 -0.000 -1.773) 33.591 14.269 ( -0.169 0.000 -0.196) 0.259 14.478 ( 19.867 -0.000 -1.861) 19.954 14.526 ( 1.169 -0.000 0.190) 1.184 14.788 ( -1.579 0.000 -3.768) 4.085 15.081 ( 0.245 -0.000 -2.314) 2.327 15.208 ( -1.749 0.000 0.177) 1.758 15.661 ( 2.370 -0.000 0.153) 2.375 15.675 ( -6.435 0.000 0.577) 6.461 15.898 ( 3.211 -0.000 -4.578) 5.592 16.781 ( 12.921 -0.000 -1.701) 13.032 16.781 ( -6.869 0.000 -6.264) 9.297 16.866 ( 0.808 -0.000 -0.416) 0.909 17.106 ( 6.359 -0.000 5.292) 8.273 17.474 ( 4.776 -0.000 5.103) 6.989 17.912 ( 0.060 -0.000 -4.168) 4.168 20.690 ( 3.097 -0.000 -0.687) 3.172 20.994 ( -0.596 0.000 -0.721) 0.935 21.176 ( -0.792 0.000 3.113) 3.213 21.571 ( 0.616 -0.000 -0.756) 0.975 22.059 ( -1.651 0.000 -3.945) 4.277 22.433 ( -0.648 0.000 2.004) 2.106 22.517 ( -1.737 0.000 1.064) 2.037 23.046 ( -0.125 0.000 2.310) 2.313 25.848 ( -0.104 0.000 -0.343) 0.358 27.475 ( 112.635 -0.000 -5.983) 112.794 28.258 ( 5.509 -0.000 -2.379) 6.001 30.007 ( 4.454 -0.000 3.946) 5.951 30.070 ( -1.099 0.000 2.861) 3.065 30.233 ( -10.510 0.000 -13.838) 17.377 31.315 ( -9.276 0.000 0.672) 9.300 31.400 ( 5.606 -0.000 -1.972) 5.942 31.583 ( 3.429 -0.000 -7.707) 8.436 31.771 ( 0.199 -0.000 -1.155) 1.172 32.051 ( -0.437 0.000 2.605) 2.642 32.073 ( 0.764 -0.000 -0.817) 1.119 33.139 ( -8.471 0.000 -2.140) 8.737 33.170 ( -6.492 0.000 -5.277) 8.366 33.257 ( 11.823 -0.000 -21.269) 24.334 34.074 ( 1.641 -0.000 -0.479) 1.710 34.333 ( -1.733 0.000 8.433) 8.609 34.835 ( -0.676 0.000 1.623) 1.758 35.182 ( -4.256 0.000 20.729) 21.161 36.430 ( 22.601 -0.000 4.116) 22.973 37.243 ( 10.454 -0.000 -2.187) 10.680 37.419 ( -10.188 0.000 7.434) 12.612 37.880 ( -72.380 0.000 -0.201) 72.381 38.225 ( 0.895 -0.000 0.918) 1.282 ======================= Grid point 28 (11/78) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 18.465 -14.823 13.470) 27.242 1.127 ( 5.488 -41.807 16.002) 45.100 1.303 ( 16.920 3.588 21.300) 27.438 1.524 ( 10.856 -4.626 15.509) 19.488 1.899 ( -2.821 7.374 1.174) 7.982 2.251 ( 5.405 2.309 -3.709) 6.950 2.435 ( 3.385 7.001 -3.726) 8.623 2.510 ( -15.468 2.121 -4.162) 16.158 2.668 ( -11.163 0.208 11.718) 16.186 2.729 ( 0.941 -0.560 -0.926) 1.434 3.047 ( 1.531 6.356 7.343) 9.831 3.259 ( -14.622 -9.531 1.215) 17.497 3.437 ( -5.001 1.629 2.588) 5.862 3.452 ( -4.128 0.497 6.627) 7.823 3.592 ( -2.904 -0.687 2.116) 3.659 3.728 ( 5.168 -5.938 5.964) 9.876 3.938 ( 5.258 0.484 0.376) 5.294 4.099 ( 2.948 -3.228 5.039) 6.671 4.208 ( -4.082 2.634 6.258) 7.922 4.365 ( 1.382 -2.825 3.603) 4.782 4.528 ( -15.107 -0.085 -6.420) 16.415 4.700 ( -9.402 -0.332 -2.952) 9.860 5.083 ( 7.719 11.685 -3.499) 14.435 5.228 ( 1.968 -7.295 -5.624) 9.419 5.360 ( -6.413 3.858 -1.922) 7.727 5.724 ( 10.469 -3.417 -3.859) 11.669 5.966 ( 16.592 1.254 5.306) 17.465 6.033 ( -1.041 2.327 8.144) 8.533 6.209 ( 1.312 1.264 8.023) 8.228 6.275 ( -1.922 1.159 7.086) 7.433 6.413 ( -11.088 1.653 0.462) 11.220 6.440 ( -7.607 -1.280 -2.977) 8.268 6.696 ( -1.145 -2.628 3.459) 4.493 6.988 ( 6.138 1.011 1.560) 6.413 7.014 ( -2.233 -2.376 0.029) 3.261 7.158 ( -3.466 2.206 1.672) 4.436 7.267 ( 4.028 -4.129 2.819) 6.421 7.436 ( 4.337 -5.983 6.137) 9.605 7.847 ( -4.050 12.314 4.579) 13.748 8.393 ( -23.332 5.666 1.448) 24.054 8.756 ( 4.603 -2.585 2.230) 5.731 8.832 ( 1.362 0.172 -4.443) 4.650 8.926 ( 1.994 -1.878 -1.319) 3.040 9.198 ( 6.966 10.978 -9.073) 15.854 9.651 ( -5.949 1.560 1.992) 6.465 9.757 ( 3.114 5.545 -1.113) 6.456 10.004 ( -1.684 -7.545 -3.269) 8.394 10.148 ( 3.450 -4.036 -2.186) 5.742 10.356 ( -3.942 -7.760 -3.602) 9.419 10.439 ( 1.868 0.545 -2.328) 3.034 10.790 ( -2.890 -0.806 -7.158) 7.761 11.129 ( 3.857 1.725 -0.546) 4.260 11.905 ( 6.017 1.249 4.026) 7.346 12.121 ( -0.149 5.977 -0.826) 6.036 12.330 ( 3.764 6.663 -0.157) 7.654 12.701 ( -6.170 -3.995 -6.986) 10.141 13.114 ( 0.474 3.119 -3.512) 4.721 13.206 ( 1.166 -9.569 10.860) 14.521 13.412 ( -5.520 -8.899 -4.943) 11.579 13.822 ( 5.930 4.786 7.257) 10.523 14.176 ( 8.399 7.319 -0.372) 11.146 14.265 ( 4.035 6.990 1.999) 8.315 14.372 ( 3.129 5.674 0.558) 6.504 14.649 ( -11.800 -1.090 -1.481) 11.942 14.833 ( -1.173 -7.178 -4.841) 8.737 15.032 ( 3.385 4.613 -3.616) 6.768 15.371 ( 3.094 -11.734 -1.164) 12.191 15.611 ( -6.684 -3.419 -2.521) 7.919 15.651 ( 1.682 4.095 -0.909) 4.520 16.020 ( 3.960 -4.852 -7.553) 9.812 16.655 ( -9.606 2.089 -5.042) 11.048 16.809 ( -0.160 -0.696 -6.133) 6.175 16.950 ( 8.893 1.375 0.550) 9.016 17.215 ( 3.813 -2.300 1.873) 4.831 17.536 ( 2.049 0.154 6.092) 6.430 17.787 ( -3.882 7.811 -1.985) 8.946 20.738 ( 3.440 -0.332 -0.558) 3.501 20.968 ( 0.295 1.695 -1.585) 2.339 21.229 ( -0.496 -4.788 3.301) 5.837 21.632 ( 0.511 -5.415 -1.631) 5.679 22.015 ( -0.136 2.315 -4.065) 4.680 22.321 ( -2.344 7.387 5.107) 9.281 22.480 ( -2.828 0.990 0.903) 3.130 23.052 ( 0.230 0.132 2.379) 2.393 25.854 ( -0.239 -0.938 -0.602) 1.140 27.527 ( 30.674 34.908 4.674) 46.705 29.522 ( 3.593 -36.943 -50.716) 62.848 30.058 ( 11.207 7.112 3.510) 13.729 30.129 ( 5.061 -4.101 3.351) 7.325 30.209 ( -0.452 -19.833 -24.276) 31.350 31.199 ( -5.226 4.744 1.775) 7.278 31.426 ( 4.780 3.142 -0.683) 5.761 31.559 ( 5.869 3.100 -10.065) 12.057 31.891 ( 1.927 -10.189 -6.416) 12.194 32.052 ( -0.081 0.501 2.269) 2.325 32.136 ( 3.966 -2.819 -0.198) 4.870 32.863 ( -6.415 10.926 -12.096) 17.517 33.130 ( -0.159 -1.149 -6.352) 6.457 33.503 ( 14.764 -5.938 -15.409) 22.151 34.078 ( 1.468 1.634 -0.446) 2.242 34.366 ( -0.174 -3.319 8.145) 8.797 34.763 ( -3.523 5.542 1.674) 6.777 35.226 ( -3.265 -4.649 21.218) 21.966 36.063 ( -20.275 31.249 38.977) 53.915 37.120 ( -2.562 4.070 4.289) 6.444 37.392 ( -1.434 -4.888 6.909) 8.584 37.601 ( -15.737 -16.792 -4.975) 23.545 38.235 ( 3.464 1.735 1.123) 4.033 ======================= Grid point 29 (12/78) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 8.960 -3.471 2.904) 10.038 1.350 ( 4.202 4.822 9.391) 11.362 1.484 ( -7.044 -8.332 3.077) 11.336 1.807 ( 6.874 -13.808 9.102) 17.910 2.011 ( -20.944 4.876 1.105) 21.533 2.170 ( 2.256 -5.822 6.671) 9.137 2.298 ( 0.722 -1.903 -5.097) 5.489 2.416 ( 3.425 2.594 -0.958) 4.402 2.583 ( -6.472 -1.054 21.510) 22.487 2.762 ( 3.355 3.059 4.903) 6.682 3.037 ( 1.758 1.782 9.579) 9.901 3.223 ( -3.130 -3.698 3.087) 5.745 3.358 ( -2.109 2.322 1.347) 3.413 3.540 ( -4.508 1.227 3.429) 5.795 3.568 ( 1.070 -7.368 3.957) 8.431 3.760 ( 1.269 2.991 -0.060) 3.250 4.034 ( 8.508 1.123 7.118) 11.150 4.114 ( 3.520 1.864 4.861) 6.284 4.171 ( -0.476 -1.047 0.246) 1.176 4.336 ( -8.945 3.090 0.110) 9.465 4.406 ( -3.963 0.167 -3.637) 5.382 4.669 ( -3.903 -5.503 3.337) 7.527 4.913 ( 1.990 13.090 2.381) 13.453 5.277 ( -0.609 1.178 -9.290) 9.384 5.449 ( 4.915 -15.335 -4.696) 16.775 5.714 ( -6.515 5.212 -7.599) 11.286 5.904 ( -6.769 2.673 0.648) 7.307 6.112 ( 4.474 1.101 9.628) 10.673 6.211 ( -4.771 0.033 3.141) 5.712 6.268 ( -1.093 0.688 -2.770) 3.056 6.389 ( 6.695 -3.283 4.762) 8.848 6.512 ( 7.167 -3.088 7.464) 10.799 6.706 ( 1.762 1.953 2.472) 3.609 6.980 ( 0.346 2.021 1.291) 2.423 7.010 ( -5.986 1.482 0.724) 6.209 7.164 ( 2.309 -7.778 -4.017) 9.053 7.413 ( 3.590 -3.059 3.213) 5.707 7.514 ( -0.974 9.862 4.437) 10.858 7.730 ( 4.110 -2.257 14.336) 15.083 8.054 ( -18.243 0.940 1.567) 18.334 8.772 ( 0.646 3.066 -0.739) 3.219 8.903 ( 1.732 -3.121 1.416) 3.840 8.972 ( 1.456 -4.015 -9.095) 10.048 9.098 ( 4.237 6.551 -7.883) 11.091 9.560 ( -3.307 1.808 0.970) 3.891 9.723 ( 1.612 2.129 -0.469) 2.711 10.069 ( -1.569 -3.652 -1.900) 4.406 10.237 ( 2.711 -2.109 -2.394) 4.187 10.420 ( 2.459 2.535 -3.918) 5.275 10.439 ( -2.835 -6.383 -2.407) 7.387 10.798 ( 0.785 -2.837 -5.488) 6.227 11.122 ( 1.852 2.582 -1.750) 3.628 11.912 ( -0.592 2.627 -0.786) 2.805 12.062 ( 3.804 4.233 2.127) 6.075 12.279 ( -0.572 1.781 -1.332) 2.296 12.734 ( -1.488 -6.513 -3.710) 7.642 13.080 ( 1.639 0.991 -4.407) 4.805 13.347 ( 1.871 4.017 2.668) 5.173 13.449 ( -6.804 -11.790 1.776) 13.728 13.766 ( 0.235 6.210 1.502) 6.393 14.116 ( -1.368 9.776 3.166) 10.366 14.181 ( 5.915 2.387 1.824) 6.634 14.422 ( 8.638 1.604 0.383) 8.794 14.516 ( -12.431 -2.378 -1.541) 12.750 14.864 ( 1.307 2.375 -0.845) 2.839 15.036 ( 1.280 -1.951 -3.716) 4.388 15.512 ( -3.254 -6.274 -0.072) 7.068 15.572 ( 0.416 5.010 -2.391) 5.567 15.670 ( 2.063 -5.846 -3.041) 6.905 16.127 ( 5.291 -3.158 -1.990) 6.475 16.495 ( -11.861 -1.184 -6.680) 13.664 16.794 ( 6.822 5.439 1.887) 8.927 17.028 ( 3.085 -1.419 -5.351) 6.337 17.232 ( -0.965 2.729 -0.751) 2.990 17.524 ( 0.040 4.131 2.704) 4.937 17.673 ( -3.496 -1.205 2.741) 4.603 20.769 ( 1.796 0.633 0.341) 1.934 20.942 ( 0.109 0.889 -2.839) 2.977 21.290 ( -1.142 -1.941 3.491) 4.154 21.711 ( 0.017 -3.080 -1.253) 3.325 21.979 ( 0.909 0.786 -4.022) 4.198 22.212 ( -1.687 3.558 3.498) 5.267 22.449 ( -0.869 0.057 2.401) 2.555 23.057 ( 0.401 0.312 1.989) 2.053 25.863 ( -0.441 -0.801 -0.818) 1.227 27.363 ( 9.663 17.420 -0.824) 19.938 29.549 ( -14.886 -7.629 -32.015) 36.122 30.056 ( 8.965 7.642 1.698) 11.902 30.258 ( 11.910 2.590 4.351) 12.941 30.442 ( -8.892 -11.742 -13.116) 19.723 31.077 ( -1.080 2.538 -8.432) 8.871 31.427 ( 2.715 1.238 -1.174) 3.207 31.588 ( 2.586 -0.757 -7.224) 7.710 32.008 ( -3.640 -1.516 1.983) 4.413 32.068 ( 6.230 -2.000 -4.930) 8.192 32.219 ( 0.437 -2.815 0.026) 2.849 32.639 ( 0.348 6.408 -15.435) 16.716 33.136 ( 2.057 -0.121 -7.352) 7.636 33.680 ( 8.484 -2.724 -15.501) 17.880 34.061 ( 0.354 1.159 -2.527) 2.802 34.462 ( 1.486 -3.873 7.452) 8.529 34.624 ( -3.872 4.487 0.968) 6.005 35.341 ( -2.395 -6.977 23.763) 24.882 35.602 ( -13.015 13.452 34.477) 39.231 37.110 ( 8.803 4.863 -0.989) 10.105 37.413 ( -15.124 -8.713 11.857) 21.100 37.721 ( 3.353 -7.269 -5.942) 9.969 38.255 ( 2.418 0.657 1.518) 2.929 ======================= Grid point 30 (13/78) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -7.222 14.501 1.790) 16.299 1.186 ( -21.033 8.901 -1.475) 22.886 1.469 ( -14.681 -9.931 -5.855) 18.666 1.865 ( 0.338 0.731 6.684) 6.733 1.987 ( 0.964 1.984 15.315) 15.473 2.098 ( -1.525 14.771 7.972) 16.855 2.297 ( -8.913 -15.082 10.600) 20.476 2.419 ( -4.057 -2.453 -2.403) 5.315 2.603 ( 2.028 1.789 1.831) 3.265 2.803 ( 1.332 -2.880 3.040) 4.394 3.044 ( -3.979 -0.291 11.211) 11.900 3.267 ( 9.801 2.224 7.343) 12.447 3.407 ( 4.626 0.465 5.788) 7.425 3.506 ( -1.935 -4.811 1.623) 5.434 3.660 ( -0.646 -2.008 9.340) 9.575 3.806 ( 4.168 3.343 4.967) 7.295 4.058 ( -2.333 1.090 2.922) 3.895 4.161 ( -1.944 -1.350 -1.015) 2.575 4.224 ( 2.562 -0.281 5.070) 5.688 4.275 ( 0.477 8.680 -0.655) 8.718 4.341 ( 22.959 1.345 -1.045) 23.022 4.719 ( -0.452 -0.647 -0.293) 0.842 4.785 ( 1.293 1.223 1.039) 2.061 5.222 ( -2.012 1.849 -12.907) 13.193 5.519 ( -10.388 -0.686 -3.461) 10.970 5.749 ( 4.373 -12.571 -2.721) 13.585 5.805 ( -10.845 -0.445 -3.819) 11.506 6.123 ( -6.543 0.934 3.863) 7.656 6.151 ( -1.431 2.560 1.144) 3.148 6.213 ( 0.408 2.499 6.141) 6.642 6.482 ( 2.199 -3.185 5.517) 6.740 6.659 ( 4.219 -2.926 6.269) 8.103 6.760 ( 3.180 -0.829 5.516) 6.421 6.925 ( -4.823 -0.127 -0.934) 4.914 6.985 ( 0.314 -2.192 0.724) 2.329 7.242 ( 3.383 9.718 3.762) 10.956 7.329 ( -3.168 2.763 3.118) 5.234 7.480 ( 2.724 -3.825 -1.238) 4.856 7.668 ( -12.880 0.248 6.502) 14.430 8.233 ( 10.387 -17.196 12.705) 23.770 8.704 ( -3.299 2.071 -2.541) 4.651 8.904 ( -2.614 0.334 -1.060) 2.840 9.056 ( 3.706 3.372 -4.471) 6.715 9.074 ( -0.040 -7.978 -10.407) 13.113 9.536 ( 2.384 0.318 0.771) 2.526 9.728 ( -1.817 -3.036 0.458) 3.568 10.095 ( 0.682 -0.922 -0.475) 1.241 10.229 ( -3.375 2.241 -1.295) 4.254 10.409 ( 6.863 3.742 -5.406) 9.504 10.479 ( -2.233 -1.929 -1.501) 3.311 10.851 ( 1.107 -3.219 -3.341) 4.770 11.091 ( 0.175 1.912 -3.425) 3.926 11.843 ( -3.738 1.123 -1.841) 4.316 12.038 ( 2.067 4.293 -0.596) 4.801 12.258 ( 0.603 -0.003 -2.620) 2.688 12.826 ( 0.308 -4.975 -0.626) 5.023 13.105 ( 3.049 -0.316 -4.301) 5.281 13.209 ( 0.777 10.255 3.795) 10.962 13.556 ( 0.460 -2.381 1.320) 2.761 13.688 ( -2.423 0.924 -0.406) 2.625 13.969 ( -8.714 1.258 -1.525) 8.935 14.246 ( 6.715 0.863 3.358) 7.557 14.377 ( -10.219 -2.024 -2.094) 10.626 14.546 ( 11.844 2.205 0.149) 12.049 14.791 ( 6.440 10.170 -4.583) 12.881 15.083 ( -3.010 -4.961 -1.577) 6.013 15.459 ( 0.239 7.174 -1.433) 7.320 15.590 ( -1.864 -5.436 -0.972) 5.828 15.751 ( 3.703 0.775 -1.367) 4.022 16.180 ( -2.588 -0.339 -0.621) 2.683 16.451 ( -3.706 -7.848 -9.075) 12.557 16.826 ( 11.916 5.419 5.568) 14.225 17.005 ( -3.414 1.850 -10.415) 11.115 17.141 ( -1.123 4.928 0.834) 5.123 17.466 ( 0.956 3.700 1.607) 4.145 17.726 ( -2.612 -7.314 3.864) 8.675 20.752 ( -0.486 2.218 -0.407) 2.307 20.940 ( 0.409 -1.154 -3.000) 3.240 21.274 ( -1.413 2.605 3.756) 4.784 21.703 ( -0.047 3.221 -1.661) 3.624 22.001 ( 0.346 -3.040 -3.449) 4.610 22.196 ( -0.438 -2.196 3.885) 4.484 22.475 ( 1.257 -1.820 2.814) 3.579 23.060 ( 0.070 0.391 1.740) 1.784 25.863 ( -0.479 -0.081 -0.786) 0.924 27.153 ( -4.528 10.891 -8.285) 14.414 29.416 ( 1.434 6.423 -36.116) 36.710 30.031 ( 7.647 7.866 -0.350) 10.976 30.275 ( -0.780 7.089 -0.971) 7.198 30.403 ( 0.593 2.696 -2.319) 3.605 31.100 ( 2.668 -6.587 -9.173) 11.604 31.451 ( 1.561 -1.141 -1.557) 2.482 31.571 ( -5.340 -1.019 -6.474) 8.454 31.954 ( -0.837 4.217 1.130) 4.446 32.109 ( 2.656 3.748 -3.083) 5.533 32.215 ( -3.292 0.779 0.696) 3.453 32.657 ( 11.258 -4.489 -16.023) 20.091 33.163 ( -0.650 -4.020 -6.458) 7.635 33.705 ( -1.136 1.390 -15.423) 15.527 34.043 ( 0.317 0.315 -4.011) 4.036 34.441 ( -3.202 4.727 6.582) 8.713 34.651 ( 1.945 -6.147 2.461) 6.902 35.359 ( -7.928 7.315 25.964) 28.116 35.551 ( 0.708 -9.675 28.974) 30.555 37.140 ( 10.787 5.670 -1.954) 12.342 37.405 ( -15.131 -9.629 11.578) 21.347 37.887 ( 5.065 -8.147 1.240) 9.672 38.270 ( -0.828 -0.693 1.897) 2.183 ======================= Grid point 31 (14/78) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -38.460 2.548 -6.495) 39.088 0.895 ( -1.842 28.887 18.267) 34.228 1.311 ( -15.921 27.874 23.729) 39.918 1.429 ( -8.018 6.677 2.166) 10.656 1.929 ( -0.277 -6.079 0.938) 6.157 2.332 ( 5.041 -8.291 0.881) 9.743 2.377 ( -2.990 -3.848 2.392) 5.429 2.508 ( -1.100 -6.197 -0.023) 6.293 2.726 ( -4.887 -10.911 0.485) 11.965 2.865 ( 5.850 -9.807 4.853) 12.408 3.005 ( -5.280 3.611 11.159) 12.863 3.392 ( 10.629 7.752 4.909) 14.041 3.428 ( 1.874 -2.123 5.315) 6.022 3.555 ( -4.251 -4.806 2.991) 7.079 3.639 ( -5.019 2.753 9.119) 10.767 3.727 ( -2.473 5.579 5.846) 8.450 3.893 ( -1.623 12.729 -2.092) 13.002 4.066 ( -5.857 4.686 -0.031) 7.501 4.244 ( -0.669 -1.536 4.044) 4.378 4.270 ( 5.624 0.743 9.023) 10.658 4.687 ( 17.532 4.489 -2.927) 18.333 4.759 ( 16.685 -3.794 -1.843) 17.210 4.907 ( 9.870 -5.670 -7.517) 13.641 5.125 ( -0.223 1.716 -12.436) 12.556 5.486 ( -13.633 -8.041 2.438) 16.014 5.576 ( -19.017 1.546 -1.625) 19.148 5.877 ( 3.044 0.933 -4.561) 5.562 6.040 ( -2.207 -0.904 4.455) 5.053 6.149 ( -0.291 -0.153 7.591) 7.598 6.220 ( 1.079 1.304 8.751) 8.914 6.650 ( 3.628 -9.933 4.231) 11.390 6.683 ( -3.722 1.036 2.326) 4.510 6.733 ( -6.038 2.669 2.807) 7.173 6.909 ( -1.514 -2.593 -1.452) 3.335 7.012 ( 0.136 1.325 0.217) 1.349 7.106 ( 0.199 6.639 4.483) 8.013 7.330 ( -7.237 -6.448 6.238) 11.527 7.487 ( -4.155 2.130 6.533) 8.030 7.760 ( 14.153 -10.548 -3.748) 18.045 8.626 ( 2.464 -6.109 0.945) 6.655 8.684 ( -1.175 -9.063 12.294) 15.319 8.859 ( -2.169 -1.012 -5.364) 5.873 9.051 ( 4.980 0.611 -1.658) 5.284 9.151 ( -16.110 -17.170 -9.602) 25.428 9.604 ( 5.367 -1.702 0.977) 5.714 9.783 ( -2.090 -6.263 1.958) 6.887 10.086 ( -4.131 4.286 1.402) 6.116 10.133 ( -0.447 1.834 -2.989) 3.535 10.400 ( 5.102 6.104 -8.054) 11.321 10.444 ( -2.331 1.586 -1.527) 3.207 10.906 ( -0.911 -3.333 -2.685) 4.376 11.051 ( 0.558 1.442 -3.584) 3.903 11.804 ( -1.072 -0.410 1.002) 1.524 11.992 ( 4.477 1.866 1.768) 5.162 12.268 ( 2.151 0.791 -4.910) 5.418 12.860 ( -3.146 -0.534 -1.738) 3.633 13.040 ( 2.597 6.698 8.061) 10.797 13.175 ( 0.287 0.378 -2.335) 2.383 13.640 ( -3.896 2.718 -4.230) 6.360 13.658 ( 21.095 3.941 5.335) 22.113 13.762 ( -8.257 10.259 -6.576) 14.719 14.278 ( -2.572 -1.227 0.725) 2.940 14.349 ( 0.486 -1.890 0.565) 2.032 14.616 ( 10.979 8.974 -2.230) 14.354 14.744 ( 8.819 2.462 -5.216) 10.538 15.097 ( -4.273 -2.383 -1.858) 5.233 15.323 ( -0.632 8.673 -0.343) 8.703 15.637 ( -1.420 -2.922 -0.722) 3.328 15.731 ( 0.124 3.263 1.239) 3.493 16.071 ( -3.224 8.587 -13.683) 16.473 16.572 ( 5.866 -6.452 -0.194) 8.723 16.888 ( 0.295 2.676 -3.182) 4.168 16.895 ( -0.319 1.964 -1.048) 2.249 17.071 ( 2.363 4.050 2.815) 5.469 17.440 ( 2.152 1.973 2.386) 3.771 17.834 ( -0.886 -7.125 2.165) 7.500 20.702 ( -1.376 1.623 -1.585) 2.653 20.969 ( 0.060 -2.430 -1.484) 2.848 21.216 ( -0.558 3.477 4.131) 5.428 21.627 ( 0.549 5.229 -2.327) 5.750 22.049 ( -0.334 -3.220 -2.841) 4.307 22.288 ( 2.152 -6.696 6.358) 9.481 22.523 ( 0.637 -1.120 1.031) 1.650 23.052 ( -0.628 0.530 1.770) 1.952 25.854 ( -0.164 0.424 -0.441) 0.633 26.904 ( -3.067 7.808 -5.405) 9.980 29.021 ( 25.615 57.375 -46.832) 78.366 29.986 ( 1.918 3.416 0.478) 3.947 30.118 ( -6.725 1.934 1.985) 7.274 30.360 ( -1.241 2.914 -6.703) 7.414 31.264 ( 5.377 -7.490 -4.144) 10.109 31.441 ( -5.235 1.474 -5.829) 7.972 31.528 ( -2.926 -4.665 -2.756) 6.158 31.857 ( 1.698 7.925 -2.321) 8.431 32.058 ( -0.160 2.065 0.196) 2.081 32.136 ( -3.925 3.036 0.368) 4.976 32.910 ( 15.526 -9.088 -13.235) 22.334 33.193 ( -5.377 -4.818 -6.668) 9.827 33.525 ( -10.313 7.374 -15.936) 20.364 34.050 ( 1.239 -0.838 -2.400) 2.828 34.361 ( -2.469 2.681 8.080) 8.864 34.777 ( 1.441 -5.167 2.606) 5.964 35.232 ( -5.587 4.738 22.166) 23.346 35.910 ( 11.126 -18.956 29.355) 36.672 37.171 ( 10.027 4.768 -2.015) 11.284 37.422 ( -13.005 -9.552 10.189) 19.084 38.111 ( 3.807 -10.275 3.120) 11.393 38.261 ( -13.413 -7.529 0.341) 15.385 ======================= Grid point 33 (15/78) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 18.841 -0.000 20.864) 28.112 1.082 ( 16.587 -0.000 21.235) 26.946 1.525 ( -8.546 0.000 5.374) 10.095 1.610 ( 9.301 -0.000 9.460) 13.266 2.143 ( 15.820 -0.000 3.511) 16.205 2.148 ( -37.720 0.000 -12.811) 39.836 2.379 ( 12.274 -0.000 -2.051) 12.444 2.461 ( -11.147 0.000 11.156) 15.771 2.521 ( 3.711 -0.000 0.095) 3.712 2.846 ( 15.787 -0.000 3.624) 16.198 2.950 ( -12.800 0.000 0.535) 12.811 3.204 ( 1.087 -0.000 6.105) 6.201 3.388 ( -9.846 0.000 12.162) 15.648 3.401 ( -4.134 0.000 1.738) 4.484 3.557 ( -4.335 0.000 -2.233) 4.876 3.753 ( 8.499 -0.000 13.374) 15.846 4.050 ( 10.817 -0.000 -2.369) 11.073 4.139 ( 2.618 -0.000 8.356) 8.757 4.178 ( -6.784 0.000 6.295) 9.255 4.382 ( 3.354 -0.000 1.630) 3.729 4.399 ( -6.669 0.000 3.753) 7.652 4.542 ( -11.762 0.000 -6.616) 13.495 5.161 ( 2.091 -0.000 -3.284) 3.893 5.242 ( -5.652 0.000 1.760) 5.919 5.347 ( 6.187 -0.000 -13.378) 14.739 5.678 ( -3.297 0.000 -7.748) 8.421 6.037 ( -7.862 0.000 4.833) 9.228 6.161 ( -2.377 0.000 3.791) 4.475 6.248 ( -7.251 0.000 8.219) 10.960 6.296 ( 17.890 -0.000 7.421) 19.368 6.332 ( -1.599 0.000 1.186) 1.991 6.415 ( 3.279 -0.000 5.889) 6.740 6.686 ( 2.913 -0.000 4.002) 4.949 6.925 ( -5.269 0.000 1.020) 5.367 7.065 ( -0.623 0.000 4.871) 4.911 7.129 ( -4.909 0.000 -6.813) 8.397 7.291 ( 7.282 -0.000 4.549) 8.586 7.535 ( 16.865 -0.000 3.543) 17.233 7.918 ( -1.771 0.000 6.087) 6.339 8.134 ( -27.907 0.000 -0.307) 27.908 8.742 ( 1.517 -0.000 -10.094) 10.207 8.793 ( -2.092 0.000 3.567) 4.135 8.996 ( 4.212 -0.000 4.405) 6.094 9.356 ( 2.025 -0.000 -13.910) 14.057 9.597 ( -7.527 0.000 3.137) 8.155 9.729 ( -2.485 0.000 -1.658) 2.987 10.008 ( 6.869 -0.000 -3.088) 7.531 10.134 ( 2.693 -0.000 -4.711) 5.426 10.228 ( -2.791 0.000 -0.498) 2.835 10.463 ( 1.433 -0.000 -1.138) 1.830 10.744 ( 0.051 -0.000 -6.943) 6.943 11.190 ( 3.116 -0.000 -0.556) 3.165 12.007 ( 5.935 -0.000 3.450) 6.865 12.114 ( -3.691 0.000 -2.097) 4.245 12.487 ( 0.797 -0.000 0.339) 0.866 12.545 ( -6.871 0.000 -7.045) 9.841 13.095 ( -2.979 0.000 6.920) 7.534 13.141 ( 1.065 -0.000 -7.499) 7.574 13.361 ( 4.923 -0.000 3.408) 5.988 13.996 ( 7.847 -0.000 8.195) 11.346 14.163 ( -5.330 0.000 -2.810) 6.025 14.413 ( 8.736 -0.000 -1.659) 8.892 14.449 ( -15.631 0.000 -0.932) 15.659 14.586 ( 0.111 -0.000 -2.924) 2.926 14.668 ( -1.529 0.000 0.313) 1.561 15.181 ( 5.354 -0.000 -1.291) 5.507 15.238 ( 1.143 -0.000 -0.271) 1.175 15.506 ( -4.114 0.000 -2.357) 4.742 15.708 ( 2.882 -0.000 -2.082) 3.556 16.024 ( 5.097 -0.000 -4.416) 6.744 16.588 ( -12.895 0.000 -5.346) 13.959 16.633 ( -2.613 0.000 -2.430) 3.569 17.149 ( 10.240 -0.000 -1.629) 10.368 17.235 ( 2.626 -0.000 2.136) 3.385 17.575 ( 0.717 -0.000 7.473) 7.507 17.788 ( -6.686 0.000 -4.558) 8.092 20.782 ( 4.022 -0.000 -1.518) 4.299 20.983 ( -0.244 0.000 -0.825) 0.860 21.180 ( -0.056 0.000 2.742) 2.743 21.587 ( 0.867 -0.000 -0.658) 1.088 22.025 ( 0.169 -0.000 -3.581) 3.585 22.347 ( -5.382 0.000 4.226) 6.844 22.448 ( -3.587 0.000 0.438) 3.613 23.077 ( 1.488 -0.000 3.922) 4.194 25.837 ( -0.617 0.000 -0.543) 0.822 28.529 ( 16.853 -0.000 2.075) 16.980 28.824 ( 4.059 -0.000 -34.850) 35.086 29.745 ( -19.921 0.000 -18.382) 27.106 30.240 ( 12.672 -0.000 0.412) 12.679 30.361 ( 15.115 -0.000 1.879) 15.232 31.203 ( -2.603 0.000 0.036) 2.604 31.459 ( -2.355 0.000 -1.511) 2.798 31.594 ( -1.824 0.000 -12.188) 12.323 31.780 ( 1.637 -0.000 -2.543) 3.024 32.069 ( 0.618 -0.000 1.495) 1.618 32.222 ( 9.860 -0.000 -2.084) 10.078 32.683 ( -20.297 0.000 -6.352) 21.268 33.317 ( 20.193 -0.000 -22.660) 30.352 33.581 ( 13.014 -0.000 -16.287) 20.848 34.130 ( 3.587 -0.000 -0.911) 3.701 34.348 ( -0.208 0.000 7.354) 7.356 34.759 ( -5.951 0.000 1.654) 6.177 35.199 ( -2.613 0.000 21.080) 21.241 36.038 ( -41.217 0.000 44.531) 60.678 37.180 ( -12.015 0.000 7.251) 14.034 37.225 ( 13.430 -0.000 -6.110) 14.754 37.465 ( 8.223 -0.000 -0.880) 8.270 38.291 ( 2.566 -0.000 2.857) 3.840 ======================= Grid point 34 (16/78) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -3.231 -10.023 -3.519) 11.104 1.401 ( -20.882 -3.894 -6.153) 22.115 1.479 ( 11.651 -20.388 16.899) 28.931 1.574 ( -5.487 -1.311 12.695) 13.892 1.776 ( -3.705 4.692 7.989) 9.978 2.079 ( -4.020 8.875 4.832) 10.876 2.306 ( -0.434 1.262 -2.876) 3.170 2.527 ( 2.485 0.959 2.816) 3.876 2.608 ( -0.126 1.625 10.982) 11.102 2.943 ( 4.158 0.290 -2.592) 4.908 3.120 ( 2.030 -7.273 7.597) 10.711 3.147 ( 2.519 4.624 4.457) 6.899 3.348 ( -2.499 0.179 3.864) 4.605 3.420 ( 4.097 -9.397 10.272) 14.512 3.514 ( -1.838 -0.539 -1.347) 2.341 3.840 ( 1.377 3.648 10.060) 10.789 4.101 ( -6.842 -0.057 2.015) 7.132 4.118 ( -4.971 4.151 -0.539) 6.499 4.179 ( -1.720 -1.095 7.576) 7.845 4.337 ( 7.051 -5.454 -1.525) 9.044 4.456 ( 5.390 2.468 0.959) 6.005 4.511 ( 4.521 -4.103 2.117) 6.461 5.102 ( -3.652 7.251 3.399) 8.802 5.248 ( 2.227 -4.434 -3.703) 6.191 5.350 ( 1.746 -0.394 -13.130) 13.251 5.643 ( -4.633 -2.126 -6.686) 8.407 5.829 ( -14.298 6.152 -3.222) 15.895 6.121 ( -4.741 -1.377 0.364) 4.950 6.228 ( 2.251 2.046 9.552) 10.025 6.300 ( 1.298 3.856 3.317) 5.250 6.459 ( 3.542 -1.570 7.837) 8.742 6.577 ( 9.345 -3.865 5.981) 11.750 6.746 ( 4.482 -0.649 3.253) 5.576 6.901 ( -8.189 -2.167 1.737) 8.647 6.971 ( -5.868 -0.797 -1.921) 6.225 7.117 ( 3.616 0.853 1.750) 4.107 7.398 ( 1.839 -3.440 2.882) 4.850 7.667 ( -6.756 7.715 -0.931) 10.297 7.832 ( -4.616 6.966 10.824) 13.674 7.916 ( 8.204 -3.627 0.941) 9.019 8.701 ( -7.060 -1.984 -5.283) 9.038 8.845 ( 0.788 -3.918 -0.474) 4.025 9.017 ( 2.495 2.512 2.224) 4.182 9.248 ( 1.922 8.196 -11.392) 14.165 9.511 ( -5.383 0.212 2.540) 5.957 9.752 ( -1.219 -1.884 -2.132) 3.095 10.046 ( 4.977 1.120 -2.503) 5.683 10.169 ( -2.952 -5.570 -3.396) 7.160 10.307 ( 3.133 -6.226 -1.761) 7.189 10.462 ( 0.490 0.791 -1.809) 2.035 10.760 ( 2.263 -1.515 -5.807) 6.414 11.193 ( 1.697 2.626 -1.195) 3.347 11.979 ( -0.701 6.008 -0.713) 6.090 12.132 ( 1.588 -2.709 0.888) 3.263 12.361 ( -0.565 8.773 -0.143) 8.792 12.568 ( -2.401 -7.211 -3.765) 8.481 13.123 ( 1.157 -0.022 -3.440) 3.630 13.179 ( -2.095 -9.308 0.341) 9.547 13.420 ( 2.765 0.724 3.509) 4.526 13.939 ( 0.691 11.555 0.725) 11.599 14.096 ( -5.900 0.736 -0.088) 5.946 14.282 ( -13.540 -2.570 -1.259) 13.839 14.466 ( 5.668 12.347 3.265) 13.972 14.545 ( 7.874 -3.695 -1.755) 8.873 14.757 ( -2.071 -7.927 0.072) 8.194 15.125 ( 3.238 5.695 -2.153) 6.896 15.361 ( -3.011 -7.891 0.025) 8.446 15.529 ( 1.282 -4.773 -3.160) 5.866 15.736 ( 7.917 3.007 -0.846) 8.511 16.102 ( 3.385 -4.562 -1.998) 6.023 16.364 ( -13.671 3.909 -3.401) 14.620 16.707 ( -1.457 -8.816 -4.598) 10.049 17.209 ( 8.642 5.125 0.576) 10.063 17.251 ( 0.124 1.247 -0.584) 1.382 17.586 ( 0.124 1.077 8.043) 8.115 17.640 ( -6.243 5.023 -4.728) 9.304 20.825 ( 4.227 0.535 -0.888) 4.352 20.955 ( -1.100 2.061 -1.336) 2.691 21.226 ( -0.698 -4.082 2.890) 5.050 21.636 ( 0.442 -4.483 -1.502) 4.748 22.005 ( 0.432 1.781 -2.993) 3.510 22.253 ( -3.893 3.951 3.297) 6.453 22.424 ( -2.289 -1.229 1.523) 3.012 23.091 ( 1.237 1.268 3.210) 3.667 25.836 ( -0.680 -0.895 -0.596) 1.272 28.036 ( 12.394 41.785 -4.327) 43.799 29.127 ( -9.353 -14.437 -19.211) 25.787 29.776 ( -13.041 -27.143 -13.312) 32.925 30.414 ( 18.581 1.123 -1.670) 18.690 30.466 ( 5.586 2.235 -0.632) 6.049 31.134 ( 0.844 5.349 -2.342) 5.900 31.402 ( -8.126 -1.631 -1.299) 8.389 31.530 ( -3.338 -0.406 -8.922) 9.534 31.873 ( -0.007 -8.025 -2.589) 8.432 32.082 ( 1.289 -0.925 -0.431) 1.644 32.289 ( 5.074 3.035 -0.976) 5.992 32.483 ( -13.811 -3.219 -4.366) 14.838 33.390 ( 16.689 9.649 -19.711) 27.571 33.692 ( 6.216 -1.489 -16.008) 17.237 34.125 ( 3.050 4.457 -2.840) 6.102 34.420 ( 1.838 -5.408 4.658) 7.371 34.644 ( -6.404 4.499 3.032) 8.394 35.265 ( -2.301 -5.271 22.617) 23.337 35.674 ( -19.402 8.025 36.678) 42.262 37.114 ( -13.362 -6.199 7.825) 16.679 37.326 ( 13.212 4.635 -4.065) 14.580 37.627 ( 4.913 -7.633 -2.499) 9.415 38.312 ( 1.915 1.603 3.051) 3.942 ======================= Grid point 35 (17/78) ======================= q-point: (-0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -24.151 7.345 -5.336) 25.801 1.186 ( -1.610 -8.425 -0.653) 8.602 1.523 ( 3.398 12.884 13.466) 18.944 1.801 ( -2.508 -0.171 12.342) 12.596 1.883 ( -12.820 -7.370 8.320) 16.967 2.038 ( 12.865 -11.299 13.035) 21.519 2.349 ( -2.582 -1.130 1.451) 3.170 2.531 ( 3.910 6.459 6.579) 10.015 2.703 ( 1.096 11.849 2.356) 12.131 2.780 ( 2.523 -3.411 0.585) 4.283 3.029 ( -6.005 3.682 6.303) 9.452 3.285 ( 0.897 -6.043 6.897) 9.213 3.339 ( 0.723 -2.744 2.422) 3.731 3.522 ( 0.351 -1.771 0.252) 1.822 3.700 ( -3.362 -9.510 6.266) 11.875 3.786 ( 0.597 6.061 8.842) 10.737 3.946 ( -7.050 -2.385 -8.073) 10.980 4.037 ( -5.814 -4.053 -1.064) 7.167 4.204 ( -2.307 -1.711 5.216) 5.954 4.446 ( 4.533 4.922 3.271) 7.448 4.599 ( 4.497 -9.090 1.547) 10.259 4.707 ( 14.275 0.196 5.060) 15.146 5.000 ( 12.686 9.676 6.219) 17.124 5.167 ( -9.568 0.714 -14.926) 17.744 5.387 ( -7.331 0.198 -4.832) 8.782 5.622 ( 5.066 -5.241 -2.748) 7.790 5.668 ( -4.976 -0.810 -5.015) 7.111 6.076 ( -5.266 1.533 2.464) 6.013 6.239 ( 1.884 2.452 6.511) 7.208 6.256 ( 1.577 3.424 2.088) 4.310 6.482 ( -3.614 0.897 7.382) 8.268 6.671 ( 1.051 0.077 -0.921) 1.400 6.762 ( -5.589 1.486 0.569) 5.811 6.838 ( 2.652 -3.369 1.859) 4.673 7.018 ( -0.880 -1.023 6.046) 6.195 7.201 ( -0.647 -5.312 2.266) 5.811 7.360 ( -8.580 -0.577 -0.231) 8.603 7.486 ( -2.422 -0.582 1.003) 2.685 7.674 ( 0.991 13.123 14.580) 19.641 8.208 ( 15.957 -8.280 0.578) 17.987 8.631 ( -7.335 -1.116 -0.827) 7.466 8.864 ( -4.080 -0.694 0.501) 4.169 9.014 ( 1.544 0.410 -2.953) 3.358 9.142 ( 2.507 4.831 -11.328) 12.568 9.502 ( -1.733 -3.902 1.872) 4.662 9.728 ( 0.249 2.788 -1.338) 3.102 10.098 ( 3.387 -1.384 -0.966) 3.785 10.203 ( -2.706 -1.913 -1.082) 3.486 10.401 ( -0.225 -2.277 -2.460) 3.360 10.476 ( 2.703 -1.974 -2.989) 4.487 10.800 ( 1.226 -2.023 -4.932) 5.470 11.149 ( 0.686 3.750 -2.419) 4.515 11.870 ( -0.470 4.920 -0.736) 4.997 12.180 ( 3.092 6.006 0.045) 6.755 12.226 ( -2.784 -0.247 -2.073) 3.480 12.690 ( 0.058 -9.019 -2.474) 9.353 13.129 ( 1.764 0.646 -3.147) 3.665 13.293 ( -3.347 -4.921 -4.134) 7.247 13.473 ( 5.130 -4.513 8.947) 11.258 13.750 ( -1.069 9.221 -1.932) 9.482 13.980 ( -5.055 6.274 3.083) 8.626 14.209 ( -6.810 -3.427 -1.097) 7.703 14.360 ( 1.907 5.860 1.686) 6.389 14.669 ( 6.794 -0.957 -1.083) 6.946 14.874 ( -3.617 -9.926 -1.822) 10.721 15.040 ( 3.097 8.319 -3.401) 9.506 15.463 ( -0.602 -7.259 0.105) 7.285 15.572 ( 1.931 1.918 -3.495) 4.430 15.812 ( 8.836 1.413 -1.003) 9.004 16.110 ( -11.251 2.236 -1.167) 11.530 16.288 ( 3.133 -9.097 0.777) 9.652 16.818 ( -1.410 -6.871 -7.610) 10.349 17.153 ( 1.934 7.998 -3.633) 8.995 17.214 ( 2.240 5.012 0.867) 5.558 17.530 ( -3.462 -0.093 -1.583) 3.808 17.604 ( 1.205 -1.038 7.073) 7.250 20.830 ( 1.907 4.998 0.535) 5.376 20.916 ( -0.408 -1.059 -3.976) 4.134 21.275 ( -1.017 -1.745 3.925) 4.414 21.705 ( 0.303 -2.862 -1.474) 3.234 21.974 ( 0.433 1.171 -3.425) 3.645 22.182 ( -1.508 1.057 3.728) 4.158 22.442 ( -0.812 -2.597 2.025) 3.392 23.083 ( 0.124 1.354 1.633) 2.125 25.845 ( -0.250 -0.953 -0.394) 1.061 27.514 ( 1.751 30.491 -7.209) 31.380 29.255 ( 3.863 -13.634 -14.619) 20.359 29.970 ( -6.108 -12.375 -6.057) 15.071 30.405 ( -5.099 4.610 -9.741) 11.922 30.605 ( 21.894 5.956 -8.893) 24.370 31.104 ( 6.664 1.513 -2.849) 7.404 31.328 ( -13.426 -5.372 -1.089) 14.501 31.477 ( -2.290 0.413 -6.320) 6.735 31.961 ( -0.928 -2.874 0.970) 3.172 32.135 ( 1.131 -0.697 -1.259) 1.830 32.275 ( 2.953 1.155 -3.051) 4.400 32.441 ( -7.006 -8.559 -6.713) 12.939 33.367 ( 14.599 10.774 -12.526) 22.048 33.666 ( -3.553 2.235 -14.188) 14.796 34.080 ( 2.186 3.157 -4.459) 5.885 34.504 ( -2.645 5.154 7.791) 9.708 34.559 ( 0.431 -6.780 -0.100) 6.795 35.400 ( -3.104 -4.761 26.168) 26.778 35.481 ( -8.614 2.131 28.800) 30.136 37.089 ( -12.293 -7.190 7.888) 16.280 37.391 ( 12.666 5.659 -1.693) 13.975 37.785 ( 0.856 -7.956 0.596) 8.024 38.291 ( -0.502 2.920 1.366) 3.263 ======================= Grid point 36 (18/78) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 20.394 14.587 9.893) 26.955 1.306 ( -4.292 12.023 22.561) 25.923 1.315 ( 8.982 3.894 9.653) 13.748 1.801 ( -6.758 1.004 -1.582) 7.013 2.013 ( -2.037 28.994 6.939) 29.882 2.061 ( -5.261 -17.858 2.436) 18.776 2.313 ( 3.269 2.956 3.024) 5.345 2.432 ( 8.140 -7.631 11.764) 16.213 2.612 ( -0.969 -3.245 6.266) 7.122 2.847 ( -5.243 3.510 0.603) 6.338 2.998 ( -1.409 -1.039 6.884) 7.103 3.392 ( -2.824 -6.148 5.134) 8.493 3.434 ( -1.168 -3.339 4.256) 5.534 3.535 ( -4.569 1.798 -0.490) 4.935 3.637 ( -7.556 -1.269 0.410) 7.673 3.738 ( 2.362 4.396 5.498) 7.425 3.957 ( -1.480 0.477 -2.477) 2.925 4.092 ( -1.010 -4.082 -1.667) 4.523 4.206 ( -3.628 -1.589 4.326) 5.865 4.423 ( 3.876 6.980 6.690) 10.416 4.660 ( -3.579 -2.912 -2.761) 5.377 4.804 ( -3.647 -2.393 -8.665) 9.701 4.860 ( -11.860 -5.469 -1.139) 13.109 5.280 ( 6.430 0.412 -5.144) 8.244 5.424 ( 30.939 2.946 6.445) 31.740 5.492 ( -7.039 8.286 -0.988) 10.917 5.834 ( 1.999 -9.235 -3.535) 10.088 6.004 ( -3.112 -0.899 3.728) 4.939 6.201 ( 1.011 4.394 3.681) 5.821 6.266 ( 0.544 0.260 7.819) 7.842 6.459 ( -6.759 -3.929 5.837) 9.757 6.601 ( -10.718 0.950 -4.725) 11.752 6.707 ( -2.180 -1.304 -0.829) 2.672 6.914 ( 3.313 -0.309 2.508) 4.167 7.037 ( -0.240 -2.317 0.146) 2.334 7.174 ( -0.628 1.911 1.875) 2.750 7.319 ( 0.431 7.858 8.055) 11.261 7.533 ( -1.860 7.421 9.176) 11.947 7.613 ( 1.120 -14.743 3.373) 15.165 8.473 ( -4.577 -9.208 -1.238) 10.357 8.611 ( 2.955 -4.543 7.079) 8.915 8.820 ( 0.232 1.919 0.637) 2.035 9.013 ( 0.940 1.746 -8.943) 9.161 9.076 ( 0.439 0.889 -9.209) 9.263 9.599 ( 1.250 -7.508 0.901) 7.665 9.687 ( -0.631 1.533 0.557) 1.749 10.135 ( -1.968 1.792 -1.069) 2.868 10.158 ( 2.414 2.929 0.395) 3.816 10.415 ( -0.885 -1.921 -3.140) 3.786 10.496 ( 0.903 3.381 -4.443) 5.656 10.827 ( -0.919 -1.808 -5.412) 5.780 11.095 ( 1.154 2.043 -2.633) 3.527 11.836 ( 3.163 1.127 2.085) 3.953 12.061 ( -0.697 3.141 -1.150) 3.416 12.270 ( 1.463 -1.804 -2.121) 3.146 12.784 ( -1.561 -2.586 -3.940) 4.964 13.108 ( -1.359 0.823 -2.891) 3.299 13.274 ( 2.171 4.624 4.654) 6.911 13.623 ( -5.093 1.269 -1.780) 5.543 13.731 ( 5.129 -6.840 3.453) 9.220 13.832 ( 5.752 2.860 5.842) 8.683 14.216 ( -0.463 -2.400 -0.656) 2.531 14.327 ( -1.429 -0.903 -0.427) 1.744 14.732 ( 1.070 0.006 0.392) 1.140 14.908 ( -4.027 -0.256 -6.170) 7.373 14.985 ( 3.647 1.016 -2.921) 4.782 15.507 ( 3.669 8.716 -2.550) 9.795 15.564 ( -0.191 -5.425 -0.085) 5.429 15.766 ( -4.618 6.112 -0.534) 7.679 16.048 ( -0.292 -2.432 -8.160) 8.520 16.536 ( 9.922 -10.503 4.520) 15.139 16.783 ( -8.526 0.354 -9.878) 13.053 17.052 ( 0.774 6.489 -5.168) 8.331 17.190 ( 4.681 2.272 2.975) 5.994 17.514 ( 1.012 1.018 2.826) 3.170 17.687 ( -0.520 -6.479 2.847) 7.096 20.752 ( 0.135 4.044 -0.386) 4.065 20.941 ( 0.936 -1.530 -3.296) 3.752 21.277 ( 0.250 2.030 4.740) 5.162 21.706 ( 0.714 3.167 -0.896) 3.367 21.980 ( 0.105 -2.507 -4.372) 5.041 22.211 ( -0.085 -4.383 4.647) 6.388 22.478 ( -1.731 -2.537 1.057) 3.249 23.061 ( -0.782 0.923 1.040) 1.595 25.857 ( 0.648 -0.222 -0.123) 0.696 27.156 ( 6.593 12.490 -1.373) 14.190 29.577 ( 21.234 -9.346 -17.338) 28.962 30.047 ( 0.481 -3.576 -3.652) 5.134 30.153 ( -12.066 9.003 -16.033) 21.993 30.602 ( 16.464 20.621 -24.756) 36.182 31.188 ( -7.172 -7.246 0.194) 10.197 31.297 ( 1.337 -4.277 0.105) 4.482 31.468 ( 3.041 -1.304 -4.393) 5.500 31.969 ( 2.272 2.581 -0.691) 3.507 32.091 ( -3.327 2.083 1.241) 4.117 32.226 ( 2.530 8.422 -5.454) 10.347 32.621 ( -1.459 -19.132 -8.441) 20.962 33.304 ( 1.336 8.405 -7.291) 11.207 33.523 ( 1.185 5.734 -14.266) 15.421 34.059 ( 1.448 0.832 -3.472) 3.853 34.417 ( -1.216 4.434 8.419) 9.593 34.678 ( -0.793 -7.014 1.410) 7.198 35.317 ( -4.900 6.644 23.373) 24.788 35.678 ( -4.640 -18.455 34.346) 39.266 37.092 ( -9.454 -6.878 7.171) 13.716 37.421 ( 8.953 6.586 0.854) 11.147 37.881 ( -9.070 -5.656 2.468) 10.970 38.217 ( -0.795 3.378 -2.184) 4.100 ======================= Grid point 39 (19/78) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -14.814 0.000 9.846) 17.788 1.066 ( -10.914 0.000 -6.967) 12.948 1.287 ( -11.925 0.000 13.601) 18.089 1.758 ( 20.906 -0.000 18.692) 28.044 1.910 ( 6.306 -0.000 14.422) 15.741 2.272 ( -8.547 0.000 19.807) 21.572 2.311 ( 0.528 -0.000 -2.996) 3.042 2.491 ( 1.798 -0.000 -1.215) 2.170 2.644 ( 1.021 -0.000 -0.483) 1.129 2.877 ( 7.699 -0.000 -6.509) 10.082 3.062 ( -8.527 0.000 14.576) 16.887 3.185 ( -1.811 0.000 -1.537) 2.376 3.357 ( 1.201 -0.000 -2.830) 3.074 3.465 ( 3.188 -0.000 4.879) 5.828 3.538 ( 8.182 -0.000 4.646) 9.409 3.834 ( -16.291 0.000 7.963) 18.133 3.992 ( -12.265 0.000 -9.912) 15.770 4.029 ( -7.132 0.000 1.785) 7.352 4.207 ( 3.649 -0.000 7.306) 8.167 4.267 ( 2.654 -0.000 0.999) 2.836 4.529 ( 3.252 -0.000 4.078) 5.216 4.750 ( 20.344 -0.000 4.543) 20.845 5.165 ( 9.690 -0.000 -0.072) 9.690 5.198 ( -22.265 0.000 -7.531) 23.504 5.240 ( 3.669 -0.000 -2.219) 4.288 5.574 ( -0.346 0.000 -3.899) 3.914 5.791 ( -1.215 0.000 -4.518) 4.679 6.059 ( -2.857 0.000 -0.044) 2.858 6.280 ( 0.456 -0.000 8.168) 8.181 6.390 ( 2.598 -0.000 5.663) 6.230 6.454 ( -2.790 0.000 10.506) 10.870 6.650 ( 6.028 -0.000 3.732) 7.089 6.761 ( -6.970 0.000 4.891) 8.515 6.801 ( 2.070 -0.000 -3.807) 4.333 6.942 ( -0.565 0.000 -0.025) 0.566 7.184 ( 4.628 -0.000 3.599) 5.862 7.376 ( -1.667 0.000 1.863) 2.500 7.478 ( -23.361 0.000 -1.318) 23.398 8.024 ( 6.145 -0.000 13.128) 14.495 8.037 ( 20.925 -0.000 -2.804) 21.112 8.571 ( -10.653 0.000 -1.443) 10.751 8.818 ( 1.012 -0.000 -2.222) 2.441 9.063 ( 0.406 -0.000 2.806) 2.835 9.302 ( 0.144 -0.000 -12.939) 12.940 9.467 ( -3.848 0.000 3.136) 4.964 9.714 ( 1.490 -0.000 -0.331) 1.526 10.058 ( -3.293 0.000 -2.067) 3.888 10.136 ( 4.301 -0.000 -2.472) 4.961 10.290 ( 5.041 -0.000 -3.650) 6.224 10.459 ( -1.750 0.000 -1.094) 2.063 10.777 ( 3.774 -0.000 -4.599) 5.949 11.222 ( 0.070 -0.000 -1.575) 1.577 12.052 ( -1.068 0.000 1.190) 1.599 12.079 ( -0.075 0.000 -2.195) 2.197 12.454 ( 1.613 -0.000 -0.888) 1.841 12.456 ( -3.366 0.000 -2.310) 4.083 13.023 ( -3.946 0.000 1.867) 4.366 13.199 ( 5.334 -0.000 -5.257) 7.489 13.457 ( 1.028 -0.000 3.031) 3.201 14.017 ( -3.917 0.000 -1.442) 4.173 14.050 ( -6.066 0.000 -4.765) 7.714 14.165 ( -2.723 0.000 4.322) 5.108 14.453 ( -4.289 0.000 -6.933) 8.152 14.629 ( 1.598 -0.000 -0.534) 1.685 14.739 ( 3.977 -0.000 1.595) 4.285 15.212 ( -1.120 0.000 -1.454) 1.835 15.226 ( -0.022 0.000 2.260) 2.260 15.522 ( 3.702 -0.000 -0.772) 3.782 15.881 ( 11.952 -0.000 -1.341) 12.027 16.100 ( 4.297 -0.000 2.061) 4.766 16.222 ( -15.091 0.000 -4.603) 15.778 16.613 ( 0.026 -0.000 -2.364) 2.364 17.255 ( -0.771 0.000 -0.970) 1.240 17.322 ( 4.442 -0.000 -1.567) 4.710 17.558 ( -8.857 0.000 -0.740) 8.888 17.662 ( 2.753 -0.000 2.648) 3.820 20.867 ( 2.983 -0.000 -2.903) 4.162 20.966 ( -0.771 0.000 0.723) 1.057 21.189 ( -0.257 0.000 2.049) 2.065 21.600 ( 0.442 -0.000 -1.175) 1.256 22.022 ( 0.707 -0.000 -2.088) 2.204 22.248 ( -3.445 0.000 3.161) 4.676 22.392 ( -0.959 0.000 1.803) 2.042 23.119 ( -0.139 0.000 3.096) 3.099 25.823 ( -0.170 0.000 -0.283) 0.330 28.536 ( -10.132 0.000 -25.288) 27.242 28.954 ( 6.173 -0.000 -6.685) 9.099 29.271 ( -1.571 0.000 -4.618) 4.878 30.485 ( -4.181 0.000 -5.080) 6.579 30.661 ( 21.783 -0.000 -2.396) 21.914 31.215 ( -16.987 0.000 -3.019) 17.253 31.222 ( 5.033 -0.000 1.931) 5.390 31.474 ( -2.671 0.000 -5.379) 6.005 31.809 ( 1.331 -0.000 -3.894) 4.115 32.069 ( -0.425 0.000 -1.676) 1.729 32.297 ( -9.498 0.000 1.223) 9.576 32.382 ( 3.534 -0.000 -1.306) 3.767 33.577 ( 9.409 -0.000 -17.941) 20.259 33.727 ( 6.043 -0.000 -16.295) 17.379 34.215 ( 4.085 -0.000 -11.357) 12.070 34.376 ( -0.210 0.000 5.413) 5.417 34.622 ( -5.011 0.000 6.093) 7.889 35.237 ( -3.104 0.000 23.021) 23.229 35.604 ( -14.265 0.000 33.102) 36.045 36.956 ( -8.201 0.000 5.306) 9.768 37.517 ( 12.229 -0.000 -3.442) 12.705 37.611 ( 3.996 -0.000 0.360) 4.012 38.352 ( 0.806 -0.000 4.273) 4.348 ======================= Grid point 40 (20/78) ======================= q-point: (-0.40 -0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 4.230 -3.652 5.889) 8.119 1.106 ( 8.180 -6.288 14.790) 18.034 1.423 ( -7.815 -21.114 5.722) 23.230 1.931 ( 5.324 11.931 15.422) 20.212 1.972 ( -0.014 13.963 19.743) 24.181 2.063 ( 13.696 -4.878 13.412) 19.780 2.287 ( -4.836 -0.339 2.638) 5.519 2.545 ( -2.365 -1.103 3.934) 4.721 2.777 ( -13.150 -1.663 -0.072) 13.255 2.839 ( 14.961 0.657 -1.326) 15.034 3.053 ( -3.936 4.905 0.853) 6.346 3.232 ( 0.148 -8.420 4.498) 9.547 3.345 ( -1.111 1.994 -1.547) 2.758 3.492 ( 0.172 0.800 3.780) 3.867 3.578 ( -5.494 0.667 1.563) 5.751 3.667 ( -6.031 -9.641 -3.816) 11.995 3.901 ( -5.637 1.523 1.107) 5.943 3.963 ( -2.361 -0.946 2.903) 3.860 4.200 ( -0.016 2.734 3.560) 4.489 4.392 ( -1.357 -9.026 -5.964) 10.904 4.578 ( 3.838 -0.745 7.746) 8.677 4.820 ( -14.786 0.563 -10.308) 18.034 4.851 ( -12.886 3.414 3.562) 13.798 5.286 ( 1.952 -2.626 -4.676) 5.707 5.478 ( 30.933 -0.089 10.381) 32.629 5.617 ( 4.707 -2.279 -1.300) 5.388 5.723 ( 2.597 7.627 -4.874) 9.417 6.051 ( -1.470 -0.571 3.405) 3.753 6.272 ( -2.861 1.315 5.874) 6.665 6.380 ( 2.080 4.509 6.396) 8.097 6.448 ( -4.144 -0.982 3.448) 5.480 6.653 ( -5.477 -1.349 1.094) 5.745 6.705 ( -3.180 3.968 -5.758) 7.682 6.875 ( 0.224 -4.873 9.138) 10.359 6.949 ( 3.094 0.222 3.456) 4.644 7.179 ( -4.953 -0.293 -2.326) 5.480 7.287 ( 0.575 2.501 2.254) 3.416 7.386 ( -4.009 -3.997 0.734) 5.708 8.020 ( 7.210 14.282 17.328) 23.585 8.260 ( 6.471 -3.862 -4.569) 8.813 8.487 ( -6.260 -5.129 2.122) 8.366 8.841 ( 2.497 -0.581 -1.613) 3.029 9.043 ( -0.998 1.952 0.507) 2.250 9.231 ( 2.333 5.972 -12.725) 14.249 9.444 ( -1.166 -0.977 2.872) 3.250 9.751 ( 1.280 -0.697 -0.614) 1.582 10.103 ( 0.650 -6.925 -1.718) 7.164 10.138 ( 2.358 2.032 -0.982) 3.264 10.374 ( 0.356 -1.153 -4.261) 4.429 10.433 ( -0.584 -3.311 -1.029) 3.516 10.807 ( 3.091 0.406 -3.660) 4.808 11.192 ( -1.027 2.276 -2.488) 3.525 11.959 ( -0.084 5.927 -1.244) 6.057 12.143 ( -0.656 -4.802 -0.338) 4.858 12.308 ( -3.624 8.260 -4.952) 10.290 12.577 ( 4.717 -7.120 1.015) 8.601 13.061 ( -3.371 -8.526 0.834) 9.206 13.205 ( 1.280 3.315 -4.927) 6.075 13.499 ( 1.892 -3.591 4.405) 5.990 13.882 ( -2.853 8.953 -4.927) 10.610 14.009 ( -0.601 0.737 1.359) 1.659 14.125 ( 0.754 -0.327 0.017) 0.822 14.463 ( -7.275 1.613 -5.689) 9.375 14.577 ( -0.503 -4.609 -3.908) 6.064 14.759 ( -1.648 -0.351 0.806) 1.868 15.167 ( 1.219 3.700 -1.152) 4.062 15.330 ( 0.893 -7.629 2.472) 8.069 15.579 ( 2.401 -2.327 -0.662) 3.409 15.982 ( -4.895 0.328 -2.019) 5.306 16.017 ( 4.048 7.069 -2.594) 8.549 16.235 ( 7.416 -6.500 5.909) 11.496 16.669 ( -0.739 -6.875 -5.556) 8.870 17.210 ( -2.038 3.039 -3.040) 4.757 17.315 ( -2.758 4.902 -3.722) 6.744 17.431 ( -5.189 -1.142 -1.822) 5.617 17.701 ( 4.601 2.266 6.741) 8.470 20.878 ( -2.163 -0.332 -3.946) 4.513 20.931 ( 2.121 3.829 0.690) 4.431 21.224 ( -0.622 -3.530 2.745) 4.515 21.640 ( 0.399 -4.293 -1.774) 4.662 22.012 ( 1.216 1.951 -1.757) 2.893 22.206 ( -1.005 2.206 3.563) 4.310 22.408 ( 0.422 -1.307 2.578) 2.921 23.102 ( -1.449 1.261 1.897) 2.699 25.831 ( 0.468 -0.838 -0.024) 0.960 27.961 ( -11.557 32.735 -21.164) 40.658 29.058 ( 2.338 -17.914 -12.792) 22.136 29.650 ( 9.820 -19.059 -1.476) 21.491 30.350 ( -10.436 3.638 -9.466) 14.552 30.894 ( 15.934 1.467 -8.715) 18.221 31.009 ( -14.495 -2.333 -0.467) 14.689 31.282 ( 7.077 2.086 2.373) 7.750 31.453 ( 0.580 -0.510 -4.388) 4.455 31.865 ( -0.180 -6.072 -2.388) 6.528 32.120 ( 3.825 -6.036 -4.082) 8.230 32.203 ( -5.114 1.892 2.039) 5.821 32.392 ( -0.373 0.994 -2.185) 2.429 33.616 ( 7.886 1.956 -14.262) 16.414 33.666 ( -0.550 8.495 -14.941) 17.196 34.151 ( 0.411 4.600 -8.933) 10.056 34.446 ( -1.636 -5.602 -0.028) 5.836 34.581 ( 0.807 2.954 8.279) 8.827 35.302 ( -4.333 -6.289 24.767) 25.918 35.517 ( -7.096 3.945 28.642) 29.771 36.921 ( -4.383 -3.176 3.919) 6.683 37.617 ( 11.763 3.959 0.418) 12.418 37.686 ( -0.114 -4.369 1.618) 4.661 38.339 ( -0.963 2.907 4.039) 5.069 ======================= Grid point 41 (21/78) ======================= q-point: (-0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 6.971 -6.047 1.436) 9.339 1.350 ( 10.154 3.506 15.975) 19.251 1.688 ( 2.627 5.508 10.943) 12.530 1.750 ( 4.289 -14.539 6.152) 16.360 1.943 ( 10.979 19.880 15.817) 27.675 2.172 ( -7.010 1.357 6.800) 9.860 2.337 ( -5.356 -11.811 0.844) 12.996 2.517 ( -5.311 5.410 -1.368) 7.704 2.576 ( -3.367 -0.747 7.716) 8.452 2.864 ( -7.614 7.968 5.769) 12.439 2.986 ( 4.510 0.280 3.919) 5.981 3.303 ( -10.023 -4.629 3.197) 11.494 3.343 ( -0.231 1.768 7.420) 7.631 3.536 ( 10.630 -6.650 -6.230) 14.001 3.558 ( -1.457 -1.503 0.259) 2.109 3.704 ( -7.972 0.985 1.977) 8.273 3.933 ( 2.441 -6.228 0.957) 6.757 4.004 ( 0.956 -4.705 7.958) 9.294 4.171 ( 0.263 0.948 2.296) 2.498 4.437 ( -8.027 -3.985 -8.298) 12.213 4.500 ( -14.857 0.487 -2.855) 15.136 4.692 ( 0.232 -1.872 7.168) 7.412 4.789 ( -0.113 -0.039 0.552) 0.564 5.304 ( -0.267 0.236 -8.065) 8.073 5.615 ( 2.266 6.760 -3.047) 7.754 5.707 ( 1.680 -1.314 -3.561) 4.151 5.823 ( 15.903 -1.162 8.396) 18.021 6.027 ( 4.174 3.468 5.757) 7.911 6.219 ( -4.712 -0.565 5.402) 7.191 6.325 ( 1.166 4.827 0.416) 4.984 6.455 ( 0.987 -1.403 1.292) 2.147 6.507 ( -7.426 6.637 1.245) 10.037 6.652 ( 0.179 -0.450 0.155) 0.508 6.921 ( 0.771 -1.901 5.113) 5.510 7.005 ( 1.685 -1.892 0.421) 2.568 7.240 ( 1.318 2.991 -4.727) 5.747 7.313 ( -1.980 -13.399 6.465) 15.008 7.412 ( 0.144 -1.081 1.742) 2.056 7.838 ( 3.502 18.150 18.349) 26.045 8.235 ( -15.754 -2.838 0.881) 16.032 8.619 ( 8.604 -5.482 -0.497) 10.214 8.890 ( 4.959 1.075 1.890) 5.414 9.015 ( -0.087 -1.427 -3.800) 4.060 9.109 ( 0.685 7.439 -13.340) 15.290 9.497 ( 0.453 -4.766 1.815) 5.120 9.739 ( 0.540 3.015 -0.453) 3.097 10.131 ( -1.266 0.637 -0.009) 1.417 10.220 ( 4.456 -0.955 -1.268) 4.730 10.341 ( -1.923 -3.747 -4.742) 6.342 10.513 ( 0.752 -1.447 -1.843) 2.461 10.821 ( 2.277 0.826 -3.979) 4.658 11.124 ( -1.233 2.467 -3.320) 4.316 11.898 ( 1.631 1.914 0.022) 2.515 12.078 ( -5.623 4.736 -4.051) 8.394 12.246 ( 1.405 -2.459 -1.309) 3.120 12.745 ( 4.577 -3.666 0.276) 5.870 13.106 ( -1.381 2.350 -2.803) 3.909 13.219 ( -1.682 -9.947 -1.337) 10.176 13.593 ( -1.149 -1.027 4.317) 4.584 13.743 ( -0.276 1.888 -0.740) 2.047 13.979 ( 5.325 5.531 4.216) 8.759 14.184 ( 1.126 -1.492 -3.317) 3.807 14.313 ( -0.344 1.023 0.243) 1.106 14.679 ( -10.080 -3.756 -4.339) 11.600 14.733 ( 1.099 -6.272 -3.090) 7.078 15.108 ( 1.162 5.132 -0.687) 5.307 15.458 ( 0.131 -6.899 0.630) 6.929 15.622 ( 2.303 2.554 -1.778) 3.871 15.784 ( -8.719 3.743 -2.391) 9.785 16.082 ( 9.223 2.172 -0.868) 9.515 16.495 ( 9.757 -10.561 6.445) 15.756 16.682 ( -5.759 1.701 -10.494) 12.091 17.112 ( -1.826 3.409 -6.668) 7.708 17.202 ( -3.677 -1.272 -0.048) 3.891 17.457 ( -0.838 -3.929 0.455) 4.043 17.715 ( 2.244 3.393 6.181) 7.399 20.797 ( -2.789 3.012 -1.079) 4.244 20.932 ( 1.655 0.042 -2.803) 3.255 21.281 ( -0.441 -2.683 3.690) 4.584 21.710 ( 0.343 -3.087 -1.556) 3.475 21.987 ( 1.710 2.294 -2.857) 4.043 22.185 ( -0.085 0.383 3.837) 3.858 22.439 ( 0.049 -0.999 2.570) 2.758 23.067 ( -1.318 1.016 1.262) 2.089 25.857 ( 0.977 -0.986 -0.043) 1.389 27.367 ( -7.779 15.827 -11.539) 21.075 29.480 ( 11.908 -22.763 -18.475) 31.643 29.961 ( 5.054 -5.340 -5.740) 9.328 30.118 ( -6.165 4.074 -3.339) 8.109 30.750 ( -17.983 0.923 -8.293) 19.825 31.078 ( 7.860 1.792 -9.518) 12.474 31.350 ( 7.243 0.124 1.036) 7.318 31.507 ( 7.848 -1.462 -4.319) 9.076 31.960 ( 0.294 -5.334 0.324) 5.352 32.111 ( -2.493 3.791 0.817) 4.610 32.312 ( -3.524 -1.890 -2.095) 4.514 32.375 ( 10.671 -8.266 -10.497) 17.099 33.385 ( -9.518 12.652 -10.926) 19.237 33.650 ( 9.477 2.769 -13.742) 16.921 34.082 ( -0.371 1.907 -5.745) 6.064 34.476 ( -1.889 -0.616 5.551) 5.896 34.594 ( 1.402 -0.500 2.550) 2.952 35.427 ( -6.632 0.518 26.898) 27.709 35.444 ( -3.810 -4.812 27.750) 28.420 36.972 ( 1.346 -4.509 2.085) 5.147 37.617 ( -0.137 7.096 8.295) 10.917 37.754 ( 0.993 -2.033 -1.839) 2.915 38.267 ( -0.864 3.829 1.456) 4.186 ======================= Grid point 45 (22/78) ======================= q-point: (-0.40 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -10.995 0.000 6.872) 12.966 1.007 ( 3.251 -0.000 11.663) 12.108 1.383 ( 21.993 -0.000 20.119) 29.807 2.061 ( -10.796 0.000 -0.182) 10.798 2.176 ( 4.391 -0.000 25.403) 25.780 2.239 ( -8.310 0.000 3.717) 9.104 2.345 ( 8.099 -0.000 18.242) 19.959 2.473 ( -3.878 0.000 4.651) 6.056 2.546 ( 4.423 -0.000 -3.540) 5.665 3.048 ( 4.544 -0.000 0.265) 4.551 3.072 ( 0.107 -0.000 1.712) 1.715 3.127 ( -0.496 0.000 2.474) 2.523 3.250 ( -7.111 0.000 -11.287) 13.340 3.439 ( -17.601 0.000 7.900) 19.293 3.561 ( 8.407 -0.000 -2.723) 8.837 3.575 ( 2.666 -0.000 0.538) 2.719 3.859 ( -3.815 0.000 6.993) 7.966 3.966 ( 4.560 -0.000 2.157) 5.044 4.229 ( -4.673 0.000 -3.715) 5.969 4.269 ( -1.289 0.000 -3.578) 3.803 4.529 ( -19.803 0.000 -2.115) 19.915 4.619 ( 2.681 -0.000 5.316) 5.954 4.872 ( 0.182 -0.000 -1.145) 1.160 5.245 ( -0.739 0.000 -6.485) 6.527 5.674 ( 7.264 -0.000 0.076) 7.264 5.810 ( 1.579 -0.000 -2.641) 3.077 5.850 ( 21.599 -0.000 9.809) 23.722 6.049 ( 0.655 -0.000 6.522) 6.555 6.221 ( -8.482 0.000 5.423) 10.067 6.363 ( -8.634 0.000 -5.728) 10.362 6.465 ( 2.119 -0.000 12.696) 12.871 6.568 ( -1.764 0.000 7.559) 7.762 6.721 ( -2.556 0.000 -6.853) 7.314 6.861 ( 4.546 -0.000 7.371) 8.660 7.016 ( 0.722 -0.000 8.534) 8.565 7.133 ( 1.893 -0.000 -5.994) 6.286 7.240 ( -8.545 0.000 -3.862) 9.377 7.432 ( 10.459 -0.000 2.162) 10.680 8.105 ( -21.081 0.000 0.784) 21.096 8.329 ( 12.636 -0.000 24.574) 27.633 8.473 ( 10.472 -0.000 -5.222) 11.702 8.864 ( 2.531 -0.000 -1.216) 2.808 9.037 ( -3.085 0.000 -0.780) 3.182 9.316 ( 6.935 -0.000 -11.300) 13.259 9.451 ( 1.264 -0.000 2.425) 2.735 9.759 ( 1.517 -0.000 1.674) 2.259 10.049 ( 3.984 -0.000 -3.487) 5.295 10.179 ( -0.131 0.000 -0.696) 0.709 10.337 ( -5.341 0.000 -4.559) 7.022 10.390 ( 2.156 -0.000 -0.418) 2.196 10.843 ( 2.876 -0.000 -1.949) 3.475 11.187 ( -1.979 0.000 -3.117) 3.692 12.000 ( -4.959 0.000 -4.837) 6.927 12.095 ( 4.174 -0.000 2.349) 4.789 12.319 ( -5.049 0.000 -10.546) 11.692 12.600 ( 8.458 -0.000 5.145) 9.900 12.948 ( -2.646 0.000 1.293) 2.945 13.266 ( 0.945 -0.000 -2.666) 2.828 13.434 ( -3.114 0.000 0.482) 3.151 13.895 ( -6.309 0.000 -6.301) 8.916 14.033 ( 4.714 -0.000 -2.460) 5.317 14.216 ( 7.013 -0.000 2.163) 7.339 14.225 ( -9.417 0.000 -14.566) 17.345 14.618 ( -1.057 0.000 -1.963) 2.230 14.683 ( -7.979 0.000 0.046) 7.979 15.191 ( -0.526 0.000 -1.166) 1.279 15.299 ( 1.879 -0.000 5.434) 5.750 15.577 ( 1.626 -0.000 1.830) 2.448 15.853 ( -10.444 0.000 -3.634) 11.058 16.238 ( 1.055 -0.000 4.473) 4.596 16.240 ( 15.517 -0.000 -3.072) 15.818 16.605 ( 3.135 -0.000 -0.391) 3.159 17.196 ( -3.430 0.000 -3.922) 5.210 17.264 ( -10.468 0.000 -7.753) 13.027 17.389 ( 0.176 -0.000 -0.802) 0.822 17.788 ( 4.001 -0.000 6.623) 7.738 20.837 ( -2.957 0.000 -3.992) 4.968 20.993 ( 1.507 -0.000 1.053) 1.839 21.186 ( -0.626 0.000 1.989) 2.085 21.593 ( -0.440 0.000 -1.538) 1.599 22.042 ( 1.575 -0.000 -1.167) 1.960 22.230 ( 0.262 -0.000 3.538) 3.548 22.425 ( 2.390 -0.000 3.313) 4.085 23.094 ( -2.316 0.000 2.107) 3.131 25.830 ( 0.682 -0.000 0.042) 0.683 28.131 ( -13.522 0.000 -42.260) 44.370 28.604 ( -14.552 0.000 -14.180) 20.318 29.757 ( 23.045 -0.000 9.439) 24.903 30.231 ( -11.265 0.000 -8.427) 14.068 30.714 ( -20.530 0.000 -1.926) 20.620 31.150 ( 16.379 -0.000 -5.883) 17.403 31.381 ( 5.682 -0.000 1.478) 5.871 31.459 ( 2.820 -0.000 -2.429) 3.722 31.796 ( -0.587 0.000 -3.623) 3.671 32.095 ( 1.668 -0.000 0.162) 1.676 32.234 ( 6.954 -0.000 -2.270) 7.315 32.364 ( -4.397 0.000 -1.890) 4.786 33.641 ( 2.043 -0.000 -13.155) 13.312 33.726 ( 0.076 -0.000 -16.274) 16.274 34.151 ( -2.725 0.000 -14.969) 15.215 34.378 ( -1.719 0.000 5.368) 5.636 34.652 ( 3.727 -0.000 7.195) 8.103 35.245 ( -5.542 0.000 24.050) 24.681 35.565 ( -1.520 0.000 28.692) 28.732 36.884 ( 1.232 -0.000 1.547) 1.978 37.652 ( -1.090 0.000 2.419) 2.653 37.794 ( 11.602 -0.000 4.005) 12.273 38.368 ( -1.215 0.000 7.631) 7.727 ======================= Grid point 46 (23/78) ======================= q-point: (-0.20 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -2.774 -12.199 11.632) 17.083 1.328 ( -7.197 -23.497 10.622) 26.772 1.585 ( 2.347 -1.105 0.410) 2.627 1.764 ( -19.398 2.094 -10.720) 22.262 2.072 ( -13.097 0.966 17.998) 22.280 2.126 ( -4.623 7.197 9.768) 12.984 2.420 ( 10.805 5.263 13.928) 18.397 2.533 ( 3.889 -0.694 -0.397) 3.970 2.603 ( 3.774 11.671 3.953) 12.888 2.942 ( -7.876 8.101 0.906) 11.335 3.075 ( -10.700 -5.847 2.945) 12.544 3.121 ( 5.030 5.332 3.845) 8.277 3.282 ( 5.751 -8.890 5.916) 12.129 3.464 ( 6.855 -11.942 3.112) 14.117 3.596 ( 2.664 1.238 3.908) 4.888 3.699 ( -1.832 -0.950 9.073) 9.304 3.919 ( 11.566 -5.588 1.268) 12.908 4.036 ( 6.479 1.766 6.280) 9.194 4.196 ( -1.381 -3.131 -2.588) 4.290 4.234 ( -4.669 -2.069 -7.672) 9.216 4.345 ( -11.055 0.411 0.420) 11.070 4.684 ( 2.133 -2.459 3.449) 4.742 4.835 ( 1.045 4.710 -3.501) 5.961 5.236 ( -1.991 -2.671 -10.210) 10.739 5.703 ( -5.366 7.429 -2.321) 9.453 5.756 ( 5.979 -0.047 -1.240) 6.106 5.962 ( -0.609 5.885 5.171) 7.858 6.112 ( 3.659 -2.094 9.436) 10.335 6.162 ( -4.124 -1.142 6.951) 8.162 6.232 ( -13.257 -2.569 -7.300) 15.350 6.500 ( 4.829 3.140 7.352) 9.340 6.628 ( 3.940 3.108 5.470) 7.423 6.685 ( 2.537 -2.205 3.676) 4.981 6.978 ( 4.928 1.550 9.484) 10.800 6.999 ( 0.424 -0.935 3.935) 4.067 7.109 ( -7.235 -1.882 -3.880) 8.423 7.236 ( 5.632 -3.736 -3.490) 7.606 7.508 ( 7.612 4.789 -1.255) 9.080 7.857 ( -22.465 -1.673 3.832) 22.851 8.381 ( 10.586 16.802 22.018) 29.650 8.620 ( 7.002 -4.424 -4.140) 9.260 8.940 ( 4.316 -4.567 -0.027) 6.283 8.969 ( -4.123 1.827 -2.975) 5.402 9.271 ( 4.778 12.066 -10.853) 16.918 9.483 ( 3.376 -0.344 2.527) 4.231 9.782 ( 1.216 1.197 0.659) 1.829 10.132 ( -2.640 2.221 0.643) 3.510 10.203 ( 6.773 -9.553 -4.729) 12.629 10.259 ( -3.229 -0.009 -2.946) 4.371 10.468 ( 1.187 -4.514 -0.809) 4.737 10.863 ( 2.720 1.100 -1.693) 3.387 11.130 ( -2.761 2.039 -4.172) 5.403 11.908 ( -4.359 1.337 -2.922) 5.415 12.095 ( -4.409 6.675 -6.018) 10.011 12.222 ( 1.537 -1.808 -4.422) 5.018 12.768 ( 8.226 -4.169 4.455) 10.242 13.007 ( -1.477 -8.905 2.422) 9.346 13.178 ( -0.766 5.738 -3.077) 6.556 13.503 ( -1.934 -8.404 0.953) 8.676 13.747 ( -5.744 3.573 -4.684) 8.228 14.101 ( -7.079 -7.463 -15.199) 18.352 14.135 ( 5.647 3.696 2.117) 7.073 14.351 ( 9.343 -1.770 1.082) 9.571 14.518 ( -6.098 0.787 -2.676) 6.706 14.652 ( -2.295 -2.979 -1.950) 4.236 15.160 ( -1.364 2.000 -0.018) 2.421 15.360 ( -0.928 -5.245 2.009) 5.693 15.652 ( 3.743 -3.958 1.335) 5.609 15.720 ( -6.278 3.115 -2.501) 7.442 16.203 ( -0.879 0.985 -0.286) 1.350 16.455 ( 9.573 -5.963 -4.047) 11.982 16.688 ( 5.558 0.878 0.166) 5.629 17.079 ( -7.971 2.064 -4.811) 9.537 17.136 ( -4.889 0.196 -3.912) 6.265 17.411 ( 0.536 -1.954 0.061) 2.027 17.812 ( 1.649 3.546 5.721) 6.930 20.781 ( -3.567 0.928 -3.031) 4.772 20.971 ( 0.674 2.999 -0.858) 3.191 21.221 ( -0.827 -3.764 3.023) 4.898 21.634 ( -0.091 -5.013 -2.066) 5.423 22.041 ( 1.474 2.122 -1.558) 3.017 22.227 ( 0.810 2.361 4.132) 4.828 22.461 ( 2.468 0.460 3.414) 4.237 23.067 ( -1.566 0.579 1.983) 2.592 25.849 ( 0.776 -1.153 -0.083) 1.392 27.455 ( -20.932 22.351 -27.373) 41.073 28.968 ( 1.311 -42.463 -32.162) 53.284 30.011 ( 2.681 2.833 0.221) 3.907 30.107 ( 4.818 -3.422 2.269) 6.330 30.497 ( -16.766 -1.341 -0.962) 16.847 31.208 ( 4.966 6.482 -9.317) 12.389 31.432 ( 3.981 0.924 0.203) 4.091 31.542 ( 5.798 -3.737 -4.397) 8.180 31.846 ( -0.163 -7.031 -1.713) 7.239 32.096 ( -3.183 -0.237 1.993) 3.763 32.270 ( -3.629 1.080 -1.843) 4.211 32.432 ( 18.719 -3.489 -8.304) 20.773 33.466 ( -7.821 12.944 -14.819) 21.173 33.708 ( 1.933 -1.482 -14.764) 14.964 34.077 ( -1.834 1.296 -8.013) 8.322 34.398 ( -2.921 -3.466 4.989) 6.741 34.687 ( 4.079 3.531 4.842) 7.249 35.277 ( -6.842 -5.663 24.478) 26.039 35.595 ( 2.694 6.095 28.821) 29.581 36.959 ( 6.415 -3.467 -0.188) 7.294 37.621 ( -6.693 1.844 5.956) 9.147 37.898 ( 10.678 5.216 4.260) 12.625 38.330 ( -1.383 4.747 7.590) 9.058 ======================= Grid point 51 (24/78) ======================= q-point: (-0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -16.409 0.000 16.077) 22.972 1.026 ( -22.646 0.000 18.938) 29.521 1.297 ( -35.060 0.000 -0.798) 35.070 1.567 ( -13.203 0.000 -5.927) 14.473 2.016 ( -5.876 0.000 4.939) 7.676 2.254 ( 8.146 -0.000 10.945) 13.644 2.502 ( 0.414 -0.000 -3.606) 3.630 2.593 ( -4.442 0.000 -6.246) 7.665 2.816 ( 13.494 -0.000 19.613) 23.806 2.839 ( -7.271 0.000 -3.455) 8.050 3.068 ( 0.263 -0.000 5.158) 5.165 3.196 ( 2.367 -0.000 3.475) 4.204 3.419 ( 16.979 -0.000 8.012) 18.774 3.455 ( 6.515 -0.000 9.951) 11.894 3.650 ( -2.627 0.000 8.931) 9.309 3.655 ( 1.171 -0.000 5.064) 5.198 3.828 ( -12.411 0.000 2.972) 12.762 4.154 ( -5.414 0.000 -2.098) 5.806 4.171 ( 4.847 -0.000 6.646) 8.226 4.264 ( -3.213 0.000 1.870) 3.718 4.302 ( 27.945 -0.000 -3.785) 28.200 4.695 ( 2.915 -0.000 0.771) 3.015 4.906 ( 5.009 -0.000 -8.599) 9.951 5.155 ( -2.789 0.000 -12.219) 12.533 5.680 ( -9.096 0.000 -0.065) 9.096 5.809 ( -0.887 0.000 -1.392) 1.650 5.900 ( -19.967 0.000 -3.376) 20.250 6.043 ( -0.704 0.000 3.347) 3.420 6.148 ( -1.227 0.000 9.113) 9.195 6.169 ( 1.672 -0.000 7.502) 7.686 6.636 ( 2.908 -0.000 9.040) 9.496 6.669 ( 4.625 -0.000 8.897) 10.027 6.709 ( 3.572 -0.000 0.034) 3.573 6.953 ( -2.439 0.000 -1.154) 2.698 7.030 ( -2.196 0.000 -0.882) 2.366 7.064 ( -1.597 0.000 5.398) 5.629 7.366 ( 15.653 -0.000 9.866) 18.503 7.563 ( -20.905 0.000 3.380) 21.176 7.675 ( 11.487 -0.000 -8.043) 14.022 8.626 ( 3.738 -0.000 -5.996) 7.066 8.765 ( 6.555 -0.000 22.241) 23.187 8.880 ( 0.241 -0.000 -2.031) 2.045 8.959 ( 1.899 -0.000 -1.666) 2.526 9.520 ( 7.780 -0.000 -6.391) 10.069 9.585 ( 13.709 -0.000 1.543) 13.795 9.819 ( 2.503 -0.000 2.407) 3.473 10.092 ( -3.102 0.000 -6.162) 6.898 10.131 ( -3.310 0.000 1.403) 3.596 10.245 ( 4.194 -0.000 -1.966) 4.632 10.425 ( 0.133 -0.000 -1.016) 1.025 10.907 ( 3.181 -0.000 -0.446) 3.212 11.098 ( -3.885 0.000 -5.070) 6.387 11.856 ( -3.873 0.000 0.163) 3.877 12.070 ( -12.383 0.000 -20.763) 24.175 12.219 ( 4.124 -0.000 -1.493) 4.386 12.816 ( 5.583 -0.000 4.324) 7.062 12.931 ( 0.270 -0.000 7.758) 7.763 13.236 ( -1.406 0.000 -2.680) 3.026 13.329 ( -4.668 0.000 -3.662) 5.933 13.708 ( -4.974 0.000 -1.106) 5.096 13.775 ( -14.660 0.000 -19.665) 24.528 14.243 ( 6.181 -0.000 2.089) 6.525 14.444 ( -9.907 0.000 -0.161) 9.908 14.455 ( 7.482 -0.000 0.580) 7.504 14.642 ( 6.780 -0.000 -3.167) 7.484 15.154 ( -2.578 0.000 -0.382) 2.606 15.281 ( -3.833 0.000 2.810) 4.752 15.649 ( 3.396 -0.000 2.859) 4.439 15.702 ( -2.704 0.000 -3.305) 4.270 16.081 ( -11.022 0.000 -3.611) 11.598 16.542 ( 9.690 -0.000 -4.086) 10.516 16.805 ( 8.455 -0.000 4.889) 9.766 16.981 ( -8.967 0.000 -3.791) 9.736 17.058 ( -5.385 0.000 -4.911) 7.288 17.406 ( 1.046 -0.000 0.403) 1.121 17.877 ( 1.368 -0.000 4.633) 4.831 20.740 ( -3.411 0.000 -4.392) 5.561 21.010 ( -0.243 0.000 0.040) 0.246 21.182 ( -0.743 0.000 2.872) 2.967 21.573 ( -0.417 0.000 -1.387) 1.449 22.075 ( 1.312 -0.000 -1.246) 1.810 22.287 ( 3.546 -0.000 6.585) 7.479 22.502 ( 2.054 -0.000 2.871) 3.530 23.058 ( -1.438 0.000 2.211) 2.638 25.845 ( 0.448 -0.000 -0.108) 0.461 27.319 ( -37.143 0.000 -56.417) 67.546 28.295 ( -6.302 0.000 -8.191) 10.334 30.005 ( -4.401 0.000 -1.011) 4.515 30.154 ( 0.505 -0.000 4.212) 4.242 30.356 ( -3.513 0.000 -0.816) 3.607 31.318 ( 3.365 -0.000 -7.990) 8.670 31.456 ( 0.518 -0.000 -4.403) 4.433 31.544 ( 3.680 -0.000 -2.211) 4.293 31.774 ( -0.123 0.000 -1.406) 1.412 32.073 ( -2.183 0.000 2.661) 3.442 32.187 ( -8.260 0.000 -2.113) 8.526 32.672 ( 26.665 -0.000 -8.441) 27.969 33.497 ( -9.432 0.000 -17.714) 20.068 33.564 ( -7.695 0.000 -16.627) 18.321 34.060 ( -0.074 0.000 -5.169) 5.170 34.352 ( -2.701 0.000 7.323) 7.806 34.780 ( 3.857 -0.000 3.697) 5.343 35.208 ( -6.072 0.000 22.478) 23.284 35.824 ( 13.674 -0.000 28.431) 31.548 37.013 ( 8.697 -0.000 -1.148) 8.772 37.585 ( -5.973 0.000 4.996) 7.787 38.086 ( 9.656 -0.000 -0.021) 9.656 38.436 ( 4.125 -0.000 14.106) 14.697 ======================= Grid point 52 (25/78) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -0.329 0.000 37.874) 37.875 1.127 ( 31.517 -0.000 25.504) 40.543 1.679 ( 5.504 -0.000 23.810) 24.437 1.766 ( -6.665 0.000 10.224) 12.205 1.960 ( -3.743 0.000 2.072) 4.278 2.242 ( -5.366 0.000 1.209) 5.500 2.332 ( -1.342 0.000 -15.932) 15.989 2.496 ( 2.971 -0.000 7.070) 7.669 2.764 ( 0.655 -0.000 10.961) 10.980 2.880 ( -21.374 0.000 -2.435) 21.512 3.247 ( 3.822 -0.000 1.931) 4.282 3.355 ( -10.948 0.000 -2.129) 11.153 3.503 ( -4.464 0.000 -5.829) 7.342 3.511 ( 4.534 -0.000 -2.767) 5.311 3.727 ( -5.859 0.000 2.041) 6.204 3.825 ( -0.506 0.000 16.321) 16.328 3.857 ( 1.884 -0.000 -3.511) 3.985 4.217 ( 5.851 -0.000 20.753) 21.562 4.287 ( 3.128 -0.000 -1.292) 3.384 4.554 ( -7.253 0.000 -3.660) 8.125 4.667 ( -8.493 0.000 23.732) 25.205 4.738 ( -4.115 0.000 0.431) 4.138 4.900 ( 12.631 -0.000 -4.444) 13.390 5.224 ( -1.111 0.000 3.555) 3.724 5.371 ( -7.065 0.000 -10.762) 12.874 5.474 ( 10.440 -0.000 -2.508) 10.737 5.792 ( 15.114 -0.000 -1.523) 15.190 6.281 ( -2.804 0.000 8.104) 8.575 6.406 ( 6.896 -0.000 10.808) 12.820 6.439 ( -8.355 0.000 9.480) 12.636 6.537 ( -10.307 0.000 2.330) 10.567 6.621 ( -16.789 0.000 -2.884) 17.035 6.846 ( -2.567 0.000 11.059) 11.353 6.945 ( 1.209 -0.000 -2.014) 2.349 6.978 ( 3.732 -0.000 1.362) 3.973 7.165 ( 4.812 -0.000 3.113) 5.731 7.300 ( -11.457 0.000 -4.399) 12.273 7.449 ( 1.269 -0.000 6.429) 6.553 7.931 ( 9.683 -0.000 -4.133) 10.528 8.484 ( 4.153 -0.000 -13.268) 13.902 8.725 ( -12.977 0.000 -2.628) 13.241 8.875 ( 1.773 -0.000 -5.948) 6.207 8.878 ( -0.886 0.000 4.526) 4.612 9.220 ( -6.284 0.000 -1.123) 6.384 9.707 ( 3.643 -0.000 1.697) 4.019 9.794 ( -4.426 0.000 -1.851) 4.798 9.953 ( -7.113 0.000 -0.650) 7.143 9.976 ( 4.052 -0.000 -4.110) 5.772 10.265 ( 0.329 -0.000 -2.656) 2.676 10.375 ( 0.869 -0.000 -3.334) 3.445 10.698 ( -6.691 0.000 -9.776) 11.847 11.083 ( 4.520 -0.000 -0.479) 4.545 11.911 ( 6.146 -0.000 3.215) 6.936 12.138 ( -0.692 0.000 -1.947) 2.066 12.343 ( 11.278 -0.000 1.344) 11.358 12.626 ( -9.893 0.000 -8.712) 13.182 13.110 ( -5.794 0.000 -5.609) 8.064 13.217 ( -1.159 0.000 -1.296) 1.738 13.362 ( 4.569 -0.000 14.470) 15.174 13.928 ( 8.266 -0.000 9.107) 12.299 14.047 ( 19.210 -0.000 -2.833) 19.418 14.262 ( -0.188 0.000 -0.485) 0.520 14.431 ( 8.718 -0.000 -2.746) 9.140 14.523 ( 1.647 -0.000 -0.544) 1.735 14.725 ( -2.221 0.000 -1.877) 2.908 14.987 ( -0.015 0.000 -6.803) 6.803 15.222 ( -1.983 0.000 1.244) 2.341 15.664 ( -0.035 0.000 0.106) 0.111 15.686 ( -8.631 0.000 0.053) 8.631 15.807 ( 4.237 -0.000 -3.365) 5.410 16.672 ( -4.893 0.000 -4.864) 6.899 16.728 ( -2.346 0.000 -3.493) 4.208 16.860 ( 7.675 -0.000 -0.213) 7.678 17.186 ( 4.655 -0.000 2.719) 5.391 17.600 ( 6.228 -0.000 6.954) 9.336 17.806 ( -4.870 0.000 -5.988) 7.718 20.672 ( 2.522 -0.000 -1.012) 2.717 20.985 ( -0.567 0.000 -0.010) 0.567 21.254 ( -1.236 0.000 4.401) 4.571 21.551 ( 1.141 -0.000 -1.167) 1.632 21.967 ( -1.282 0.000 -4.905) 5.070 22.465 ( -0.569 0.000 0.866) 1.037 22.544 ( -2.779 0.000 1.586) 3.200 23.112 ( 0.827 -0.000 4.180) 4.261 25.838 ( -0.271 0.000 -0.692) 0.743 27.331 ( 49.537 -0.000 -7.826) 50.151 28.205 ( 8.954 -0.000 -2.518) 9.302 29.880 ( -15.268 0.000 -20.312) 25.411 30.098 ( 6.965 -0.000 4.791) 8.454 30.148 ( -1.011 0.000 4.635) 4.744 31.327 ( -2.318 0.000 -0.111) 2.321 31.351 ( 7.296 -0.000 -2.852) 7.834 31.400 ( -3.976 0.000 -9.459) 10.261 31.737 ( -0.805 0.000 -2.358) 2.491 32.054 ( 1.277 -0.000 -0.905) 1.565 32.103 ( -1.086 0.000 2.184) 2.440 32.783 ( 4.679 -0.000 -22.979) 23.450 33.059 ( 2.485 -0.000 -6.650) 7.099 33.087 ( -5.206 0.000 -2.787) 5.905 33.964 ( 4.910 -0.000 -10.634) 11.713 34.572 ( -2.824 0.000 14.424) 14.698 34.970 ( -3.378 0.000 11.671) 12.150 35.589 ( -4.910 0.000 18.744) 19.376 36.520 ( 13.042 -0.000 4.437) 13.776 37.199 ( 8.864 -0.000 -2.228) 9.140 37.604 ( -7.989 0.000 10.809) 13.441 37.860 ( -32.717 0.000 -1.884) 32.771 38.266 ( -0.645 0.000 3.222) 3.286 ======================= Grid point 53 (26/78) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 15.311 -9.986 26.609) 32.283 1.516 ( 7.907 -10.843 16.851) 21.542 1.658 ( -5.625 -2.534 10.280) 11.989 1.745 ( -4.342 -0.335 15.548) 16.146 2.092 ( 7.465 -3.938 8.746) 12.155 2.160 ( -14.426 1.142 -20.522) 25.111 2.236 ( -0.387 -0.452 1.346) 1.472 2.500 ( -3.478 5.026 6.545) 8.955 2.797 ( 1.826 -8.353 1.723) 8.722 2.877 ( 7.267 -4.947 18.591) 20.565 3.164 ( -1.199 3.857 3.815) 5.556 3.321 ( -8.197 -1.594 1.361) 8.461 3.444 ( 0.443 -2.485 -5.138) 5.724 3.478 ( -4.757 2.898 0.367) 5.582 3.676 ( -3.773 -0.622 1.586) 4.140 3.886 ( 4.783 1.929 9.039) 10.406 3.903 ( 5.351 -0.061 -1.397) 5.530 4.225 ( -7.465 4.835 2.266) 9.178 4.356 ( 0.727 -3.313 6.377) 7.223 4.478 ( 1.115 1.800 8.210) 8.479 4.613 ( -9.841 -0.369 14.260) 17.330 4.701 ( -10.720 -5.746 5.640) 13.407 4.995 ( 11.916 4.704 -3.637) 13.317 5.159 ( -5.082 0.797 0.480) 5.167 5.239 ( -6.746 0.358 -8.153) 10.589 5.563 ( 1.044 -3.252 -10.695) 11.227 6.076 ( 21.354 4.225 5.594) 22.476 6.203 ( -5.127 3.390 4.593) 7.673 6.323 ( -7.581 -0.479 2.883) 8.125 6.394 ( -1.060 5.321 4.093) 6.796 6.417 ( -6.924 1.446 4.427) 8.345 6.557 ( 2.708 -2.119 10.301) 10.860 6.828 ( -0.839 1.313 11.103) 11.212 6.987 ( 2.011 -3.950 -2.140) 4.922 7.005 ( 1.210 2.531 -1.802) 3.334 7.136 ( -8.064 2.628 -1.163) 8.561 7.320 ( 4.801 -8.202 2.534) 9.836 7.575 ( 4.025 -6.481 6.310) 9.901 7.937 ( 3.841 5.837 4.085) 8.093 8.398 ( -21.287 6.968 -2.062) 22.493 8.551 ( 2.200 -5.193 -14.315) 15.386 8.860 ( 1.294 3.528 0.224) 3.764 8.948 ( 5.896 0.297 -4.361) 7.340 9.065 ( -1.342 8.685 3.868) 9.602 9.680 ( -5.436 2.798 0.926) 6.183 9.747 ( 2.421 3.032 0.511) 3.913 9.939 ( -2.646 -6.182 -2.848) 7.302 10.085 ( 2.901 -5.933 -3.914) 7.677 10.292 ( -2.100 -5.720 -3.332) 6.945 10.372 ( 2.027 2.256 -4.393) 5.338 10.634 ( -1.727 -1.922 -8.400) 8.789 11.105 ( 3.314 2.736 -1.618) 4.591 11.950 ( 2.942 3.646 0.214) 4.689 12.124 ( 0.898 1.241 1.750) 2.326 12.335 ( 4.180 8.802 0.377) 9.751 12.567 ( -4.280 -6.058 -6.014) 9.549 13.012 ( -2.289 1.167 -5.304) 5.893 13.314 ( -5.659 -10.059 -4.451) 12.370 13.457 ( 2.482 -2.628 11.608) 12.158 13.915 ( 3.049 10.511 1.006) 10.990 14.162 ( 2.433 -0.707 -0.285) 2.550 14.295 ( 7.726 3.929 0.914) 8.716 14.384 ( 4.994 6.655 1.587) 8.471 14.620 ( -13.117 -1.072 -1.461) 13.242 14.728 ( 2.784 -11.832 -5.235) 13.234 14.962 ( 5.978 6.607 -3.330) 9.512 15.329 ( 3.308 -9.536 -1.852) 10.262 15.584 ( -9.043 -2.031 -0.627) 9.289 15.637 ( 0.492 2.892 -0.312) 2.950 15.920 ( 7.742 -4.280 -2.864) 9.299 16.572 ( -8.074 2.969 -3.603) 9.326 16.684 ( -3.742 -4.569 -5.787) 8.268 16.956 ( 11.388 4.774 -0.376) 12.354 17.235 ( 1.516 0.021 0.164) 1.525 17.650 ( -0.199 3.170 3.478) 4.710 17.719 ( -1.742 0.518 -1.923) 2.646 20.718 ( 2.916 -1.538 -1.331) 3.555 20.951 ( 0.210 3.290 -0.055) 3.297 21.301 ( -1.165 -4.996 3.658) 6.301 21.602 ( 0.670 -4.656 -1.502) 4.938 21.933 ( 0.538 2.059 -4.021) 4.549 22.378 ( -2.718 6.161 1.449) 6.887 22.518 ( -2.730 -0.348 2.329) 3.605 23.120 ( 1.162 1.728 4.170) 4.661 25.839 ( -0.429 -0.767 -0.888) 1.250 27.479 ( 24.586 25.165 -7.917) 36.061 28.754 ( 12.999 -27.805 -25.802) 40.098 29.753 ( -9.552 -14.335 -21.242) 27.349 30.134 ( 6.715 5.011 4.189) 9.367 30.243 ( 9.801 -1.095 5.843) 11.463 31.206 ( -8.564 8.543 -3.768) 12.670 31.333 ( 1.007 0.028 -6.794) 6.868 31.412 ( 5.339 -0.319 -3.262) 6.265 31.792 ( -0.794 -7.475 -4.780) 8.908 32.082 ( 1.298 0.562 0.531) 1.511 32.135 ( 2.829 -2.740 0.126) 3.940 32.599 ( -4.245 10.239 -14.016) 17.870 33.025 ( -3.282 -0.280 -4.802) 5.823 33.224 ( 9.987 -6.756 -11.561) 16.705 33.961 ( 3.098 3.126 -11.226) 12.058 34.605 ( -2.221 -3.665 14.486) 15.106 34.905 ( -4.599 4.903 12.281) 14.001 35.632 ( -3.127 -5.611 18.314) 19.408 36.491 ( 0.556 16.680 10.528) 19.733 37.245 ( -7.345 5.296 5.236) 10.459 37.439 ( 0.842 -4.033 0.278) 4.129 37.678 ( -20.285 -11.057 9.817) 25.102 38.272 ( 5.083 3.071 2.707) 6.526 ======================= Grid point 54 (27/78) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -16.404 -4.281 16.073) 23.361 1.511 ( -8.457 -1.340 -2.374) 8.885 1.602 ( 1.332 9.571 15.097) 17.925 1.863 ( -6.014 -3.693 -6.502) 9.596 2.026 ( 1.816 -5.437 11.781) 13.101 2.208 ( -4.617 -8.810 -0.666) 9.969 2.348 ( 6.680 -4.855 8.293) 11.704 2.478 ( 8.667 2.121 7.476) 11.641 2.900 ( 1.361 3.240 7.338) 8.137 2.969 ( -12.181 1.052 11.835) 17.016 3.191 ( 1.107 0.130 4.383) 4.522 3.329 ( 1.352 -6.159 9.369) 11.293 3.406 ( -2.748 -5.029 2.828) 6.390 3.581 ( 2.934 1.460 0.261) 3.287 3.672 ( 6.570 -2.111 -0.318) 6.908 3.766 ( 7.884 6.277 7.996) 12.864 4.057 ( 8.068 -2.696 -4.654) 9.696 4.092 ( -4.022 1.008 -4.312) 5.982 4.347 ( -4.686 2.187 11.784) 12.868 4.451 ( -11.048 5.289 7.936) 14.595 4.513 ( 0.892 1.979 13.713) 13.884 4.738 ( -6.937 -8.147 5.682) 12.115 4.995 ( 3.706 10.645 8.296) 13.995 5.025 ( -2.821 2.156 -13.420) 13.882 5.341 ( 3.869 -14.640 -7.077) 16.714 5.523 ( -3.370 3.905 -10.426) 11.632 5.895 ( -14.231 2.799 -1.328) 14.564 6.221 ( -2.829 0.928 2.353) 3.795 6.306 ( 0.006 4.731 6.015) 7.652 6.332 ( 0.154 0.190 6.414) 6.419 6.526 ( 12.472 -2.881 8.022) 15.106 6.665 ( 2.172 -3.675 7.791) 8.884 6.816 ( 2.166 2.831 7.889) 8.657 6.952 ( -7.251 -3.419 -1.954) 8.252 7.032 ( 0.647 3.048 1.663) 3.532 7.112 ( 8.869 -1.837 -1.100) 9.124 7.461 ( 0.202 -3.171 1.525) 3.524 7.630 ( -3.364 7.484 4.948) 9.582 8.002 ( 2.421 -5.321 11.357) 12.773 8.082 ( -14.324 -2.750 0.233) 14.588 8.628 ( 0.968 -5.080 -13.783) 14.721 8.758 ( 3.914 9.313 -9.722) 14.020 8.955 ( -1.736 -0.584 -0.545) 1.911 9.019 ( 3.185 1.972 4.139) 5.583 9.589 ( -2.965 1.581 2.349) 4.099 9.733 ( 0.581 0.893 1.188) 1.596 10.009 ( -0.291 -4.648 -3.204) 5.653 10.187 ( 2.151 -3.419 -2.755) 4.889 10.320 ( 1.699 3.594 -6.212) 7.375 10.374 ( -0.136 -4.919 -4.087) 6.397 10.680 ( 1.282 -5.067 -6.264) 8.158 11.070 ( 1.859 4.286 -3.169) 5.645 11.885 ( -1.418 3.573 -1.348) 4.073 12.106 ( 3.525 6.240 1.723) 7.371 12.244 ( -0.971 3.132 -1.906) 3.793 12.663 ( -0.937 -9.314 -3.444) 9.974 12.996 ( 1.890 -0.694 -3.098) 3.695 13.339 ( -2.519 -0.794 -1.635) 3.106 13.556 ( -0.703 -4.349 6.499) 7.851 13.749 ( -1.726 8.192 -3.017) 8.899 14.126 ( -4.798 3.171 -0.669) 5.790 14.287 ( 9.668 7.139 6.923) 13.870 14.416 ( 1.944 1.101 -1.349) 2.610 14.488 ( -6.677 -1.149 -0.906) 6.836 14.843 ( 4.229 7.104 -1.040) 8.333 14.936 ( -1.620 -6.680 -6.165) 9.233 15.483 ( 0.122 -6.582 -2.305) 6.975 15.526 ( -4.058 1.158 -1.530) 4.489 15.642 ( 4.068 -1.281 0.103) 4.266 16.098 ( 8.533 -5.772 -0.814) 10.334 16.401 ( -10.542 2.789 -3.340) 11.405 16.737 ( -1.197 -6.240 -6.278) 8.932 16.954 ( 8.347 9.099 -2.264) 12.554 17.211 ( -1.049 2.363 -1.112) 2.815 17.568 ( -1.158 3.408 1.708) 3.984 17.735 ( -1.995 -2.924 3.469) 4.956 20.771 ( 1.987 -0.887 -0.245) 2.190 20.889 ( -0.418 3.188 -1.989) 3.781 21.363 ( -1.009 -2.408 3.604) 4.450 21.676 ( -0.151 -3.149 -2.278) 3.889 21.907 ( 1.134 0.757 -3.207) 3.485 22.272 ( -1.634 3.090 2.614) 4.365 22.511 ( -1.225 -1.174 3.569) 3.952 23.109 ( 0.496 1.565 3.006) 3.425 25.845 ( -0.452 -0.794 -0.978) 1.339 27.268 ( 7.332 20.456 -8.185) 23.220 28.926 ( -2.717 -1.957 -27.785) 27.986 29.958 ( -4.880 -15.956 -18.528) 24.934 30.167 ( 12.283 4.178 -1.656) 13.080 30.370 ( 5.020 0.324 5.893) 7.748 30.964 ( -3.725 6.618 -5.722) 9.509 31.346 ( 1.666 -1.026 -5.274) 5.625 31.472 ( 1.560 -1.880 -4.494) 5.115 31.916 ( 1.608 -9.181 -7.815) 12.164 32.051 ( -0.774 3.667 -0.389) 3.767 32.214 ( 2.627 -1.597 -0.670) 3.147 32.384 ( 0.048 8.440 -8.744) 12.154 33.002 ( -0.940 -1.847 -5.927) 6.279 33.394 ( 6.975 -4.193 -12.742) 15.119 33.898 ( 1.596 3.821 -12.994) 13.638 34.699 ( -1.371 -6.011 14.322) 15.592 34.784 ( -4.717 6.027 13.542) 15.555 35.768 ( -0.876 -8.537 18.061) 19.996 36.158 ( -10.370 16.577 20.569) 28.379 37.134 ( 2.823 4.801 3.051) 6.351 37.585 ( -6.129 -8.809 -2.997) 11.142 37.700 ( -1.903 -9.131 11.640) 14.916 38.295 ( 3.188 1.235 2.470) 4.218 ======================= Grid point 55 (28/78) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -29.679 14.721 -4.895) 33.489 1.441 ( -8.764 2.484 6.608) 11.254 1.667 ( 4.183 0.473 25.905) 26.245 1.979 ( 0.571 3.080 2.417) 3.957 2.088 ( 3.993 -2.422 1.540) 4.917 2.225 ( -3.824 -0.789 2.666) 4.728 2.465 ( -2.124 -7.634 10.574) 13.214 2.626 ( -14.572 13.772 16.410) 25.909 2.648 ( 9.205 -1.355 3.595) 9.975 2.850 ( -6.815 -0.669 3.839) 7.850 3.194 ( -2.267 -0.550 3.908) 4.552 3.376 ( 2.140 -1.597 0.772) 2.780 3.484 ( 7.792 5.672 -1.086) 9.699 3.600 ( -5.268 -7.256 5.233) 10.382 3.794 ( 1.438 -7.800 3.630) 8.722 3.915 ( -9.225 3.723 -4.788) 11.040 4.060 ( 8.433 -1.385 14.000) 16.403 4.098 ( -6.148 0.245 -6.212) 8.744 4.309 ( 0.826 5.191 4.792) 7.113 4.412 ( 27.643 2.995 8.001) 28.933 4.524 ( 6.986 3.626 15.447) 17.337 4.731 ( -6.500 0.892 4.352) 7.873 4.865 ( -4.700 3.917 5.716) 8.373 4.947 ( 0.653 4.339 -8.094) 9.207 5.407 ( -6.433 -4.450 -7.741) 11.005 5.640 ( 5.809 -10.336 -8.525) 14.603 5.733 ( -16.140 -3.938 -2.736) 16.837 6.155 ( -1.384 2.287 3.993) 4.805 6.276 ( -2.080 -0.897 5.649) 6.087 6.389 ( 1.201 -3.344 10.003) 10.615 6.626 ( 3.695 1.515 9.769) 10.554 6.709 ( -5.656 -4.790 -0.135) 7.414 6.879 ( -0.075 -0.927 5.466) 5.545 6.920 ( -5.736 -1.341 0.270) 5.897 7.042 ( 2.755 -0.202 5.625) 6.266 7.307 ( 19.413 -2.173 1.043) 19.562 7.372 ( -11.028 6.434 1.000) 12.807 7.467 ( -0.191 3.561 0.028) 3.566 7.824 ( -12.178 6.247 9.110) 16.442 8.367 ( 3.121 -15.926 -3.792) 16.666 8.662 ( 5.003 5.005 -13.190) 14.969 8.718 ( 1.392 -9.359 -1.897) 9.650 8.953 ( -3.688 -3.129 -1.199) 4.983 9.027 ( 0.231 0.406 1.740) 1.801 9.579 ( 0.933 -0.970 3.276) 3.542 9.750 ( -1.144 -3.117 1.181) 3.524 10.061 ( 1.413 -1.526 -2.421) 3.192 10.205 ( -1.626 2.524 -2.114) 3.672 10.273 ( 5.117 3.867 -7.265) 9.692 10.422 ( -0.241 -1.556 -3.990) 4.290 10.770 ( -0.548 -6.276 -4.899) 7.980 11.008 ( 1.442 3.974 -4.223) 5.975 11.832 ( -1.142 0.465 0.593) 1.368 12.021 ( 2.405 6.144 -1.015) 6.676 12.204 ( 0.473 1.657 -2.390) 2.947 12.777 ( -2.590 -6.837 -3.858) 8.267 13.057 ( 3.749 -1.516 -0.496) 4.075 13.312 ( 1.409 3.063 5.204) 6.201 13.561 ( 3.763 3.190 -0.063) 4.933 13.668 ( -1.745 0.408 -1.553) 2.371 13.975 ( -5.324 8.319 1.798) 10.039 14.316 ( 4.305 1.661 3.101) 5.560 14.333 ( -9.112 -2.318 -1.788) 9.571 14.546 ( 10.684 1.605 -0.367) 10.810 14.708 ( 5.910 12.584 -3.310) 14.291 15.019 ( -5.521 -7.876 -4.559) 10.645 15.437 ( -1.990 4.846 -1.025) 5.338 15.571 ( -0.421 -5.239 -0.531) 5.283 15.704 ( 4.554 0.826 -2.402) 5.214 16.144 ( -9.709 4.866 -2.159) 11.073 16.365 ( 7.292 -6.851 -0.960) 10.052 16.791 ( -3.662 -4.581 -7.619) 9.614 16.904 ( 5.719 5.319 -0.897) 7.862 17.155 ( 0.647 3.524 0.624) 3.637 17.525 ( 1.585 3.259 4.127) 5.492 17.780 ( -3.409 -5.673 1.553) 6.798 20.746 ( -0.433 4.431 -0.240) 4.459 20.885 ( 0.184 -3.362 -2.088) 3.962 21.362 ( -0.721 2.264 4.439) 5.034 21.662 ( 0.823 4.157 -2.264) 4.804 21.931 ( -0.604 -3.862 -3.615) 5.324 22.270 ( 0.162 -3.205 3.383) 4.663 22.539 ( -0.315 -1.754 3.632) 4.046 23.100 ( -0.482 0.335 2.192) 2.269 25.847 ( -0.155 -0.208 -0.741) 0.785 26.994 ( 0.641 14.787 -7.544) 16.613 28.778 ( 6.182 15.312 -25.915) 30.729 30.007 ( -3.065 -2.782 -5.368) 6.779 30.208 ( 2.301 2.605 -10.751) 11.298 30.312 ( -6.084 4.391 3.190) 8.153 30.988 ( 8.582 -5.305 -3.207) 10.587 31.372 ( 0.661 -1.517 -5.015) 5.281 31.461 ( -4.640 -0.982 -5.095) 6.961 31.942 ( 0.598 8.259 -2.803) 8.742 32.052 ( 0.235 -4.392 -3.167) 5.419 32.227 ( -2.254 0.651 -0.205) 2.355 32.349 ( 9.755 -2.515 -11.846) 15.551 33.033 ( 1.208 -2.846 -6.337) 7.051 33.427 ( -1.646 1.529 -12.048) 12.256 33.857 ( 3.938 0.421 -13.422) 13.994 34.672 ( -3.541 5.183 14.697) 15.982 34.824 ( -1.562 -6.899 13.125) 14.910 35.847 ( -8.847 9.522 21.325) 24.974 35.991 ( 3.261 -8.548 16.154) 18.564 37.125 ( 8.037 5.505 0.204) 9.744 37.596 ( -11.269 -7.574 6.075) 14.874 37.924 ( 7.221 -8.795 3.722) 11.973 38.306 ( -4.669 -2.700 1.900) 5.718 ======================= Grid point 56 (29/78) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 9.116 -2.049 16.603) 19.051 1.202 ( -2.262 24.315 18.203) 30.458 1.660 ( -2.236 7.395 20.852) 22.237 1.847 ( -1.745 4.729 12.386) 13.372 2.062 ( -12.933 4.274 10.494) 17.195 2.231 ( 2.517 -5.620 -2.631) 6.697 2.353 ( -7.126 0.073 0.254) 7.131 2.546 ( 2.297 5.407 2.765) 6.493 2.768 ( -4.499 -1.154 6.066) 7.640 2.977 ( 1.303 -16.459 4.263) 17.052 3.138 ( -5.746 1.900 2.071) 6.397 3.432 ( 4.018 0.229 -3.668) 5.445 3.483 ( 4.184 2.426 1.475) 5.056 3.609 ( -4.685 3.285 -4.433) 7.238 3.743 ( -8.756 -3.680 4.170) 10.373 3.818 ( -4.725 1.322 4.090) 6.387 3.961 ( -6.978 3.044 -4.824) 9.012 4.142 ( 5.955 4.673 18.789) 20.256 4.270 ( 3.359 3.067 1.699) 4.855 4.607 ( -0.927 -2.011 13.641) 13.819 4.658 ( 0.781 -0.314 1.774) 1.964 4.767 ( 5.474 1.131 4.529) 7.194 4.808 ( 0.408 -0.054 2.132) 2.171 4.966 ( 30.339 2.946 -0.118) 30.482 5.424 ( -5.523 -5.585 -8.658) 11.690 5.546 ( -18.266 -1.327 0.055) 18.314 5.742 ( 2.548 0.464 -8.652) 9.032 6.224 ( 1.925 -6.124 10.653) 12.437 6.296 ( -1.015 -2.086 6.756) 7.143 6.459 ( -0.695 -0.216 13.759) 13.779 6.676 ( -11.227 -3.246 -2.331) 11.917 6.733 ( 2.418 -5.616 5.824) 8.444 6.790 ( -10.052 0.179 1.995) 10.249 6.909 ( 1.071 0.419 1.307) 1.742 7.039 ( -1.795 3.055 2.795) 4.513 7.191 ( -0.812 6.366 4.061) 7.595 7.378 ( -7.963 -2.164 -2.116) 8.519 7.586 ( -8.124 7.755 4.778) 12.205 7.683 ( 20.040 -6.673 -1.995) 21.216 8.496 ( 4.812 1.887 -12.869) 13.869 8.674 ( 2.724 -5.672 -10.710) 12.421 8.892 ( -1.498 -2.113 6.435) 6.936 8.944 ( -8.560 -4.299 -4.441) 10.558 9.105 ( -2.328 -14.957 2.056) 15.276 9.641 ( 2.994 -2.149 2.241) 4.313 9.802 ( -2.477 -5.081 -0.203) 5.656 10.036 ( -0.241 6.914 -6.381) 9.412 10.090 ( -3.862 4.520 -1.258) 6.077 10.266 ( 4.402 2.556 -4.134) 6.558 10.398 ( -1.378 1.311 -3.317) 3.824 10.793 ( -6.793 -2.497 -8.615) 11.252 11.009 ( 5.309 -0.618 -0.598) 5.378 11.842 ( 2.519 -0.336 2.107) 3.300 12.067 ( 7.322 -5.568 3.675) 9.906 12.185 ( 3.632 1.811 -2.596) 4.817 12.767 ( -7.664 -0.345 -6.948) 10.351 13.088 ( -0.762 -2.165 -1.712) 2.864 13.306 ( 3.689 3.296 11.217) 12.259 13.495 ( -5.218 16.429 -5.458) 18.081 13.709 ( 18.113 -3.424 1.161) 18.471 13.853 ( 5.562 2.689 8.384) 10.415 14.287 ( -5.056 -1.629 0.376) 5.325 14.349 ( 0.943 -1.899 -0.758) 2.252 14.588 ( 6.831 9.647 -1.096) 11.871 14.666 ( 9.887 0.294 -2.471) 10.196 15.024 ( -7.693 -4.138 -5.497) 10.321 15.318 ( -2.543 5.974 -0.431) 6.507 15.637 ( -0.067 -3.020 0.550) 3.070 15.718 ( 3.713 2.147 -2.646) 5.039 15.916 ( -10.750 4.901 -2.520) 12.080 16.589 ( 10.590 -5.788 0.664) 12.087 16.757 ( -5.668 -0.613 -6.383) 8.558 16.880 ( -1.709 1.482 -2.803) 3.602 17.140 ( 4.991 2.687 3.022) 6.423 17.528 ( 4.568 1.804 6.084) 7.819 17.826 ( -4.044 -4.804 -2.264) 6.676 20.678 ( 0.236 2.634 -0.925) 2.802 20.950 ( -0.198 -4.193 -0.360) 4.213 21.305 ( -0.743 4.456 4.455) 6.345 21.585 ( 1.044 4.916 -1.933) 5.385 21.972 ( -1.530 -3.096 -4.641) 5.785 22.381 ( 1.726 -6.723 3.128) 7.613 22.559 ( -1.281 -0.767 2.520) 2.929 23.098 ( -0.686 -0.357 2.844) 2.947 25.845 ( 0.101 0.341 -0.534) 0.642 26.887 ( 15.790 3.757 0.423) 16.237 28.449 ( 12.220 30.317 -17.165) 36.920 30.011 ( -1.902 -2.940 -2.982) 4.599 30.103 ( -5.814 2.808 -10.769) 12.556 30.195 ( -5.277 2.385 3.119) 6.577 31.202 ( 9.787 -5.964 -2.503) 11.731 31.364 ( -2.099 0.573 -2.806) 3.551 31.423 ( -3.601 -3.024 -6.808) 8.274 31.812 ( 0.517 7.065 -2.563) 7.534 32.062 ( -1.681 -0.361 -0.117) 1.723 32.154 ( -3.103 3.162 1.174) 4.583 32.585 ( 14.219 -9.301 -17.779) 24.592 33.069 ( -0.191 -2.034 -6.371) 6.691 33.266 ( -7.904 6.400 -9.733) 14.077 33.907 ( 5.619 -1.871 -11.554) 12.983 34.600 ( -3.017 3.051 14.536) 15.156 34.932 ( -2.159 -4.896 12.212) 13.333 35.665 ( -6.791 6.077 19.832) 21.825 36.263 ( 9.733 -9.654 11.017) 17.586 37.140 ( 8.991 4.663 -1.197) 10.199 37.608 ( -9.309 -6.667 8.612) 14.327 38.088 ( 5.164 1.975 -3.598) 6.596 38.277 ( -17.955 -10.407 2.546) 20.909 ======================= Grid point 58 (30/78) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 5.810 -0.000 32.723) 33.235 1.485 ( -11.363 0.000 18.372) 21.601 1.625 ( 4.733 -0.000 6.490) 8.032 1.814 ( -27.261 0.000 -19.386) 33.451 1.999 ( 10.263 -0.000 24.718) 26.764 2.133 ( 8.123 -0.000 -4.929) 9.502 2.314 ( 7.868 -0.000 -0.574) 7.889 2.546 ( -2.550 0.000 2.646) 3.675 2.627 ( 3.920 -0.000 4.510) 5.975 3.053 ( -16.096 0.000 4.637) 16.751 3.096 ( 12.186 -0.000 16.411) 20.441 3.310 ( 0.005 -0.000 3.250) 3.250 3.423 ( -7.547 0.000 -0.118) 7.548 3.448 ( 8.470 -0.000 4.419) 9.554 3.613 ( -4.385 0.000 1.199) 4.546 4.002 ( 6.720 -0.000 10.372) 12.358 4.015 ( 12.807 -0.000 0.702) 12.827 4.209 ( -11.784 0.000 -4.942) 12.779 4.298 ( -1.760 0.000 -2.832) 3.334 4.475 ( -12.982 0.000 5.306) 14.025 4.544 ( -6.166 0.000 20.300) 21.216 4.564 ( 1.615 -0.000 9.655) 9.789 5.084 ( -3.137 0.000 -12.403) 12.793 5.119 ( 0.457 -0.000 -0.028) 0.458 5.232 ( 5.235 -0.000 0.450) 5.254 5.499 ( -1.142 0.000 -9.458) 9.527 6.070 ( -19.294 0.000 -1.819) 19.380 6.186 ( -5.893 0.000 3.939) 7.088 6.363 ( 0.596 -0.000 3.735) 3.782 6.437 ( 17.158 -0.000 6.132) 18.221 6.508 ( 1.996 -0.000 12.085) 12.248 6.608 ( 3.935 -0.000 4.603) 6.056 6.834 ( -2.526 0.000 15.922) 16.121 6.928 ( -1.933 0.000 -0.858) 2.115 6.995 ( -6.254 0.000 -3.975) 7.410 7.147 ( 3.494 -0.000 2.830) 4.496 7.320 ( 7.195 -0.000 -1.240) 7.302 7.628 ( 10.535 -0.000 4.028) 11.279 8.020 ( -4.512 0.000 2.940) 5.385 8.163 ( -19.801 0.000 2.327) 19.937 8.514 ( 3.219 -0.000 -10.951) 11.414 8.869 ( -2.273 0.000 3.250) 3.966 9.019 ( 4.779 -0.000 -13.873) 14.673 9.138 ( -1.305 0.000 4.265) 4.460 9.664 ( -6.932 0.000 3.480) 7.757 9.701 ( -2.188 0.000 -0.941) 2.382 9.952 ( 6.214 -0.000 -2.520) 6.705 10.045 ( 3.141 -0.000 -3.997) 5.084 10.193 ( -3.156 0.000 -2.996) 4.351 10.410 ( 2.150 -0.000 -3.888) 4.443 10.597 ( 1.886 -0.000 -7.786) 8.011 11.161 ( 2.461 -0.000 -2.027) 3.188 12.028 ( 2.014 -0.000 -1.296) 2.395 12.114 ( -1.284 0.000 2.091) 2.454 12.425 ( -3.039 0.000 -4.792) 5.675 12.496 ( 0.292 -0.000 -0.016) 0.293 13.003 ( 2.000 -0.000 -5.293) 5.659 13.140 ( -4.146 0.000 -1.431) 4.386 13.499 ( 2.012 -0.000 8.522) 8.756 14.084 ( -4.727 0.000 -4.994) 6.876 14.100 ( 0.388 -0.000 1.401) 1.454 14.369 ( 4.831 -0.000 -2.850) 5.609 14.422 ( -13.382 0.000 -0.212) 13.384 14.574 ( 2.078 -0.000 1.372) 2.490 14.618 ( 5.432 -0.000 -3.906) 6.691 15.122 ( 6.879 -0.000 -4.060) 7.988 15.243 ( 1.133 -0.000 0.981) 1.498 15.485 ( -4.173 0.000 0.187) 4.177 15.680 ( 3.452 -0.000 -0.561) 3.497 15.971 ( 7.731 -0.000 -0.645) 7.758 16.479 ( -12.453 0.000 -4.936) 13.396 16.580 ( -1.399 0.000 -3.200) 3.492 17.135 ( 10.388 -0.000 -0.817) 10.420 17.252 ( 0.475 -0.000 -0.285) 0.554 17.633 ( -5.723 0.000 -6.706) 8.816 17.733 ( 1.082 -0.000 5.838) 5.937 20.741 ( 3.317 -0.000 -2.601) 4.215 20.982 ( 0.075 -0.000 0.634) 0.639 21.246 ( -0.978 0.000 3.610) 3.740 21.568 ( 0.599 -0.000 -1.210) 1.350 21.953 ( 1.380 -0.000 -3.527) 3.788 22.391 ( -4.687 0.000 0.807) 4.756 22.474 ( -3.047 0.000 2.164) 3.737 23.168 ( 1.323 -0.000 4.793) 4.972 25.824 ( -0.479 0.000 -0.717) 0.862 28.091 ( 13.986 -0.000 -34.035) 36.796 28.524 ( 17.492 -0.000 -2.509) 17.671 29.379 ( -16.882 0.000 -17.089) 24.022 30.281 ( 10.334 -0.000 3.228) 10.826 30.409 ( 12.058 -0.000 3.402) 12.529 31.199 ( -4.970 0.000 -5.830) 7.661 31.320 ( 0.997 -0.000 -9.361) 9.414 31.399 ( -3.734 0.000 -4.327) 5.715 31.709 ( 0.617 -0.000 -4.282) 4.326 32.085 ( -1.491 0.000 -0.048) 1.491 32.195 ( 8.942 -0.000 -0.619) 8.964 32.532 ( -11.167 0.000 -8.352) 13.944 33.075 ( 6.468 -0.000 -6.089) 8.883 33.243 ( 10.715 -0.000 -15.937) 19.204 33.993 ( 1.568 -0.000 -12.616) 12.713 34.578 ( -2.332 0.000 14.232) 14.421 34.918 ( -5.250 0.000 13.619) 14.596 35.598 ( -1.530 0.000 17.859) 17.924 36.593 ( -18.955 0.000 14.823) 24.063 37.238 ( -2.686 0.000 4.950) 5.632 37.288 ( -5.295 0.000 1.631) 5.540 37.523 ( 1.348 -0.000 8.171) 8.282 38.358 ( 3.980 -0.000 3.965) 5.618 ======================= Grid point 59 (31/78) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -16.253 -1.544 16.205) 23.003 1.363 ( -12.025 3.514 6.563) 14.144 1.741 ( -3.068 -13.544 11.636) 18.118 1.840 ( 13.853 -7.471 7.703) 17.523 2.042 ( 12.861 6.160 -2.648) 14.504 2.132 ( 5.622 5.246 21.737) 23.057 2.312 ( -2.594 -1.527 5.416) 6.196 2.603 ( 3.315 2.852 7.240) 8.458 2.827 ( -14.745 2.124 6.090) 16.094 2.890 ( 2.640 -13.292 -0.443) 13.558 3.195 ( 0.259 -2.674 0.397) 2.716 3.291 ( -0.868 1.190 4.174) 4.426 3.344 ( -4.163 -0.071 -1.152) 4.320 3.529 ( -4.524 -1.842 4.029) 6.332 3.697 ( 6.404 -4.391 8.628) 11.608 3.919 ( -12.474 4.199 -5.907) 14.426 4.063 ( 2.889 2.569 6.820) 7.840 4.151 ( -2.076 2.148 -0.503) 3.029 4.319 ( -2.473 -5.486 -3.440) 6.932 4.378 ( -3.504 -2.408 12.155) 12.878 4.607 ( 10.996 1.909 16.432) 19.863 4.642 ( 7.227 -2.122 9.022) 11.753 4.981 ( -4.278 2.002 -10.651) 11.651 5.167 ( 1.066 -2.091 -3.103) 3.891 5.252 ( 4.077 2.502 1.279) 4.952 5.497 ( 0.147 -1.373 -7.348) 7.477 5.772 ( -17.129 6.715 -2.362) 18.549 6.180 ( -2.076 -2.344 7.461) 8.091 6.356 ( 0.965 3.901 2.487) 4.726 6.457 ( 0.271 4.478 7.567) 8.797 6.608 ( -3.027 -0.012 -1.920) 3.584 6.674 ( 8.560 -1.103 11.761) 14.589 6.809 ( -5.880 -1.507 4.487) 7.548 6.904 ( 0.441 5.337 2.099) 5.751 7.048 ( 2.450 -11.752 8.463) 14.688 7.172 ( 4.254 3.222 2.641) 5.955 7.409 ( 0.589 -2.285 -1.655) 2.883 7.669 ( -13.880 6.351 0.413) 15.270 7.882 ( 2.035 -6.982 -1.314) 7.390 8.110 ( 5.983 5.866 11.077) 13.890 8.559 ( 2.706 -2.987 -6.348) 7.519 8.846 ( -2.844 -0.663 -2.410) 3.786 8.955 ( -0.055 5.705 -14.635) 15.708 9.098 ( -0.086 4.147 5.236) 6.680 9.570 ( -4.027 1.372 3.364) 5.424 9.724 ( -1.645 -2.229 -0.316) 2.788 9.997 ( 5.867 0.652 -2.430) 6.384 10.117 ( -0.608 -5.598 -2.012) 5.979 10.238 ( 1.403 -6.566 -5.107) 8.436 10.402 ( 1.360 1.995 -3.942) 4.622 10.634 ( 3.807 -1.568 -6.717) 7.879 11.150 ( 1.152 3.128 -2.879) 4.405 11.955 ( -1.045 6.160 -1.784) 6.498 12.153 ( 0.114 -3.168 1.598) 3.550 12.330 ( -2.652 8.649 -3.092) 9.560 12.510 ( -0.199 -6.500 -2.358) 6.917 13.041 ( 6.011 1.079 -2.286) 6.521 13.171 ( -4.695 -8.562 -1.145) 9.832 13.543 ( 0.928 -1.759 6.496) 6.794 13.886 ( -3.736 10.893 -5.089) 12.590 14.085 ( -4.439 -0.982 -1.122) 4.683 14.266 ( -11.502 -0.332 -0.878) 11.540 14.493 ( 1.244 -6.434 -2.914) 7.172 14.528 ( 3.826 7.375 2.788) 8.764 14.720 ( 1.626 -5.457 -3.129) 6.497 15.076 ( 3.990 7.759 -2.667) 9.123 15.352 ( -0.585 -7.701 -0.436) 7.736 15.495 ( 1.914 -1.476 -0.073) 2.419 15.730 ( 7.734 1.726 0.421) 7.935 16.107 ( 8.303 -4.592 1.992) 9.695 16.292 ( -13.542 1.841 -3.555) 14.122 16.603 ( -1.057 -4.774 -5.443) 7.316 17.182 ( 4.683 6.687 -3.825) 9.015 17.234 ( 0.844 1.318 -1.037) 1.878 17.539 ( -5.684 -0.262 -3.869) 6.881 17.743 ( 0.952 1.852 7.151) 7.448 20.780 ( 2.807 -1.172 -3.186) 4.405 20.947 ( -0.623 4.209 0.358) 4.270 21.291 ( -0.968 -4.888 3.270) 5.960 21.601 ( 0.115 -3.642 -1.953) 4.134 21.948 ( 1.605 1.974 -2.691) 3.703 22.307 ( -3.079 3.315 2.167) 5.017 22.470 ( -1.704 -1.909 3.135) 4.047 23.163 ( 0.141 2.597 3.687) 4.512 25.824 ( -0.215 -0.718 -0.545) 0.927 27.758 ( 2.653 28.628 -21.145) 35.688 28.777 ( 3.167 -6.579 -15.723) 17.335 29.469 ( -4.128 -25.688 -14.457) 29.765 30.401 ( 14.185 4.145 0.425) 14.784 30.465 ( -1.135 3.078 1.893) 3.788 31.078 ( 3.141 8.280 -6.763) 11.143 31.314 ( -1.858 -1.496 -8.043) 8.389 31.363 ( -6.401 -4.358 -4.095) 8.759 31.776 ( 1.793 -7.243 -6.192) 9.697 32.065 ( -1.638 -0.234 -1.225) 2.058 32.276 ( 5.695 1.811 -0.559) 6.002 32.389 ( -7.176 1.404 -4.514) 8.593 33.100 ( 11.072 5.623 -9.823) 15.833 33.369 ( 6.350 -4.134 -15.140) 16.930 33.938 ( -0.118 3.110 -14.460) 14.791 34.619 ( -2.243 -4.238 13.552) 14.375 34.853 ( -4.463 4.380 15.553) 16.763 35.680 ( -0.282 -6.116 17.972) 18.986 36.265 ( -19.016 10.655 22.029) 30.990 37.261 ( -6.598 -3.361 4.252) 8.539 37.302 ( 3.980 -2.109 1.961) 4.912 37.632 ( 5.128 -6.048 3.783) 8.785 38.385 ( 2.892 3.097 4.335) 6.062 ======================= Grid point 60 (32/78) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 0.197 13.434 19.356) 23.562 1.394 ( 5.960 -3.667 16.582) 17.998 1.808 ( 1.743 1.741 13.228) 13.455 2.028 ( -2.190 -5.044 4.213) 6.927 2.101 ( -3.423 3.454 12.109) 13.049 2.158 ( 7.353 1.449 7.137) 10.349 2.355 ( -4.108 0.389 3.115) 5.170 2.719 ( -4.774 3.552 1.263) 6.083 2.746 ( -0.680 2.418 4.579) 5.223 2.845 ( 1.281 -6.370 10.395) 12.258 3.138 ( -6.210 -0.209 2.029) 6.537 3.327 ( -1.407 -3.477 -2.745) 4.648 3.395 ( 2.010 -3.766 2.174) 4.791 3.567 ( -0.045 -5.374 3.644) 6.493 3.726 ( -12.386 -0.973 -4.904) 13.357 3.817 ( 2.244 -0.851 -0.354) 2.426 3.971 ( -12.718 2.881 -4.012) 13.643 4.131 ( 3.825 -2.122 20.109) 20.579 4.340 ( 0.305 -3.035 -1.253) 3.297 4.463 ( -7.344 -7.414 7.978) 13.136 4.708 ( 2.494 0.399 5.508) 6.060 4.821 ( -0.916 1.803 6.193) 6.515 4.994 ( 22.268 -0.593 -1.177) 22.307 5.076 ( -2.419 10.194 5.512) 11.839 5.296 ( 3.324 0.323 -3.544) 4.870 5.530 ( 3.414 -4.129 -6.969) 8.791 5.562 ( -3.667 0.105 -4.052) 5.466 6.159 ( -3.864 3.820 4.068) 6.788 6.332 ( 2.541 -0.047 6.044) 6.557 6.395 ( -0.340 4.107 7.964) 8.967 6.552 ( -8.184 -2.540 -1.340) 8.673 6.749 ( -1.697 3.123 4.933) 6.081 6.751 ( -4.883 -1.369 6.371) 8.143 6.911 ( 2.810 -0.811 2.923) 4.135 7.120 ( -4.778 4.027 4.552) 7.731 7.235 ( -5.596 -1.600 0.126) 5.822 7.400 ( 4.845 -7.861 3.147) 9.756 7.503 ( -5.044 0.154 1.369) 5.229 7.958 ( 4.920 11.272 11.205) 16.638 8.187 ( 6.481 -7.606 -2.755) 10.366 8.648 ( 3.701 -4.280 3.340) 6.571 8.786 ( 3.810 6.344 -19.837) 21.172 8.851 ( -6.324 -1.497 -1.605) 6.694 9.038 ( -1.912 2.343 2.265) 3.779 9.558 ( -0.924 -2.390 3.700) 4.501 9.719 ( -0.685 0.628 0.346) 0.992 10.064 ( 4.101 -1.524 -2.424) 5.002 10.183 ( -1.202 -3.075 -1.202) 3.514 10.308 ( -0.491 -0.554 -6.387) 6.430 10.406 ( 3.245 -1.571 -4.092) 5.454 10.685 ( 1.906 -2.038 -6.286) 6.878 11.084 ( 0.183 4.408 -3.756) 5.794 11.865 ( 0.541 2.967 0.063) 3.017 12.130 ( -3.219 7.732 -4.364) 9.444 12.205 ( 0.172 -1.854 -0.239) 1.877 12.646 ( 2.078 -6.777 -1.633) 7.274 13.083 ( 2.955 0.521 -0.838) 3.115 13.261 ( -2.740 -7.692 0.081) 8.166 13.631 ( 3.398 -4.218 6.015) 8.094 13.683 ( -0.943 7.255 -4.286) 8.479 14.035 ( -2.840 3.902 2.174) 5.293 14.175 ( -6.667 -3.611 -2.190) 7.892 14.395 ( -2.351 6.252 1.752) 6.905 14.629 ( 3.091 -5.757 -3.310) 7.325 14.792 ( -3.930 -5.038 -4.543) 7.841 14.993 ( 6.646 9.253 -1.624) 11.507 15.464 ( 0.317 -5.822 0.044) 5.831 15.512 ( 2.236 2.276 -2.078) 3.808 15.799 ( 8.091 2.774 0.015) 8.553 16.067 ( -13.144 2.639 -2.935) 13.724 16.345 ( 9.796 -7.884 3.762) 13.125 16.648 ( -3.229 -4.463 -7.966) 9.685 17.056 ( -0.142 7.888 -5.966) 9.891 17.217 ( 1.381 2.136 -0.743) 2.650 17.525 ( -2.866 -3.993 1.013) 5.019 17.739 ( 1.746 2.319 5.920) 6.593 20.829 ( 2.705 -1.105 -2.307) 3.723 20.844 ( -2.210 4.958 -0.966) 5.513 21.358 ( -0.857 -2.838 3.873) 4.878 21.666 ( 0.375 -3.882 -2.424) 4.592 21.915 ( 0.980 2.863 -2.512) 3.933 22.252 ( -0.921 0.715 3.091) 3.304 22.501 ( -0.882 -2.337 3.869) 4.605 23.122 ( -0.791 2.283 2.215) 3.278 25.838 ( 0.371 -0.833 -0.318) 0.966 27.293 ( -1.755 20.996 -13.626) 25.092 28.900 ( 9.568 -5.273 -20.568) 23.289 29.758 ( -1.254 -15.256 -12.698) 19.888 30.299 ( -10.200 6.749 -0.801) 12.257 30.444 ( 11.956 10.760 -5.680) 17.058 31.061 ( 7.756 0.259 -2.537) 8.164 31.278 ( -8.109 -4.155 -4.832) 10.314 31.360 ( -0.807 -1.245 -4.041) 4.305 31.936 ( 1.660 -9.551 -5.369) 11.081 32.042 ( 0.967 2.104 -4.798) 5.327 32.259 ( 0.026 3.466 0.204) 3.472 32.313 ( -2.140 -1.076 -4.987) 5.533 33.131 ( 11.797 4.790 -10.024) 16.205 33.393 ( -2.154 1.082 -12.324) 12.557 33.872 ( 1.970 0.801 -14.687) 14.840 34.705 ( -3.338 -5.037 13.016) 14.350 34.768 ( -2.198 4.068 15.757) 16.421 35.857 ( 0.241 -8.354 18.541) 20.338 35.979 ( -9.870 7.357 20.479) 23.894 37.243 ( -9.667 -5.343 5.693) 12.427 37.386 ( 7.590 1.149 1.422) 7.807 37.824 ( 3.109 -9.674 3.856) 10.869 38.332 ( -0.847 6.451 3.014) 7.170 ======================= Grid point 61 (33/78) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 19.520 10.460 23.782) 32.497 1.600 ( 20.328 5.999 14.846) 25.877 1.783 ( -14.293 10.293 22.214) 28.350 1.852 ( -5.189 0.839 9.350) 10.726 2.088 ( -3.187 1.738 0.475) 3.662 2.209 ( 2.002 0.927 0.144) 2.210 2.368 ( -5.599 12.170 2.633) 13.653 2.452 ( -7.486 -12.830 4.503) 15.522 2.752 ( 3.050 0.837 6.168) 6.932 2.971 ( 2.717 7.187 11.355) 13.711 3.104 ( -1.405 -0.413 1.772) 2.298 3.427 ( 2.686 -5.069 -4.974) 7.593 3.442 ( -0.895 -1.644 0.261) 1.890 3.521 ( -15.151 -0.008 -2.567) 15.367 3.683 ( -0.421 -3.940 5.703) 6.945 3.821 ( -7.468 -3.607 -1.733) 8.473 3.874 ( 6.135 2.201 -4.092) 7.696 4.245 ( -0.944 -0.846 16.845) 16.893 4.380 ( 0.681 1.476 4.269) 4.567 4.460 ( -10.140 -3.444 2.113) 10.915 4.678 ( -5.189 -1.806 7.739) 9.491 4.799 ( 5.185 -0.069 5.978) 7.914 4.893 ( -4.035 8.315 4.967) 10.493 5.157 ( -4.109 -6.994 -4.023) 9.054 5.381 ( -0.885 6.343 -6.617) 9.209 5.524 ( 18.188 2.326 -1.437) 18.392 5.738 ( 13.117 -6.500 -2.118) 14.791 6.139 ( -1.460 -5.393 7.061) 9.004 6.300 ( -0.153 2.435 4.743) 5.334 6.423 ( -8.612 -3.539 2.845) 9.736 6.522 ( 0.280 -1.507 6.191) 6.378 6.610 ( -14.979 3.417 2.898) 15.635 6.735 ( 0.435 -3.034 6.451) 7.142 6.949 ( 4.193 0.685 0.349) 4.262 7.049 ( -3.684 0.016 1.699) 4.056 7.192 ( -3.876 -0.264 -0.535) 3.921 7.415 ( -0.706 6.310 1.445) 6.512 7.621 ( 2.524 -4.014 4.628) 6.626 7.822 ( 5.412 8.776 11.728) 15.616 8.384 ( -1.531 -11.858 -8.663) 14.765 8.670 ( 1.195 6.061 -16.855) 17.951 8.779 ( -4.903 -7.484 6.711) 11.184 8.848 ( 5.799 -2.149 -1.143) 6.289 9.000 ( -1.931 -0.427 1.131) 2.278 9.632 ( 1.077 -5.277 2.441) 5.913 9.702 ( -1.588 -0.090 0.701) 1.738 10.087 ( -1.692 2.638 -3.638) 4.802 10.145 ( 0.491 4.212 -1.672) 4.559 10.314 ( 1.374 -2.320 -5.995) 6.573 10.410 ( -0.121 3.517 -4.723) 5.890 10.700 ( -1.120 0.072 -7.062) 7.150 11.040 ( 1.844 -0.137 -2.644) 3.227 11.877 ( 2.967 -0.656 1.189) 3.263 12.044 ( 0.218 -2.126 0.128) 2.141 12.232 ( 2.211 -0.528 -1.480) 2.713 12.698 ( -1.498 1.373 -4.382) 4.830 13.054 ( -3.198 1.253 -2.859) 4.469 13.354 ( 0.790 -3.848 2.821) 4.836 13.593 ( -2.319 4.753 -0.892) 5.363 13.770 ( 2.823 -2.652 0.095) 3.875 13.977 ( 8.880 -1.141 8.210) 12.148 14.205 ( -0.987 -3.999 -0.556) 4.156 14.321 ( -1.350 -0.124 0.270) 1.382 14.741 ( 0.957 0.816 0.373) 1.312 14.777 ( -3.234 -6.033 -6.389) 9.364 14.913 ( 4.113 8.075 -3.839) 9.841 15.441 ( 2.920 7.417 -3.504) 8.707 15.569 ( 0.036 -4.945 0.739) 5.000 15.751 ( -6.685 4.827 -0.921) 8.297 15.930 ( 2.345 3.804 -3.843) 5.894 16.605 ( 7.945 -5.687 1.540) 9.891 16.631 ( -4.052 -4.833 -4.783) 7.916 16.921 ( -1.684 5.411 -7.404) 9.324 17.217 ( 1.869 0.350 0.118) 1.905 17.579 ( -0.051 -3.824 3.419) 5.130 17.734 ( 0.089 0.875 1.974) 2.161 20.744 ( 0.432 4.325 -0.299) 4.357 20.888 ( 0.827 -3.457 -1.730) 3.954 21.367 ( -0.601 1.991 3.883) 4.404 21.679 ( 0.876 3.592 -1.809) 4.116 21.900 ( 0.161 -1.759 -3.630) 4.037 22.287 ( -0.402 -4.906 2.982) 5.756 22.527 ( -1.582 -1.324 3.524) 4.083 23.095 ( -0.529 0.234 2.352) 2.422 25.850 ( 0.386 0.079 -0.592) 0.711 27.093 ( 8.550 2.042 -4.840) 10.034 28.987 ( 15.384 9.982 -31.127) 36.127 29.896 ( 3.374 -4.574 -9.923) 11.436 30.104 ( -5.447 3.629 -0.612) 6.574 30.298 ( 2.288 13.648 -3.828) 14.358 31.166 ( -4.635 -8.153 -2.759) 9.776 31.286 ( 2.892 -2.857 -1.720) 4.414 31.363 ( 2.412 0.356 -4.818) 5.399 31.935 ( -0.060 7.060 -3.494) 7.877 32.063 ( 1.036 -1.560 -3.165) 3.677 32.185 ( -0.574 4.332 -0.172) 4.374 32.414 ( 1.119 -13.412 -10.392) 17.004 33.138 ( 2.346 4.591 -8.871) 10.260 33.271 ( -0.152 5.292 -9.995) 11.310 33.896 ( 3.632 -2.652 -12.468) 13.254 34.670 ( -2.333 4.915 15.371) 16.305 34.826 ( -3.302 -6.607 12.087) 14.165 35.758 ( -5.719 8.467 19.558) 22.066 36.159 ( 2.819 -15.543 15.504) 22.134 37.236 ( -8.062 -5.258 5.427) 11.050 37.441 ( 5.440 2.327 1.739) 6.167 37.972 ( -11.170 -5.832 6.429) 14.146 38.194 ( 1.944 6.105 0.366) 6.418 ======================= Grid point 64 (34/78) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -1.058 0.000 28.894) 28.914 1.315 ( -4.126 0.000 26.275) 26.596 1.566 ( 0.627 -0.000 11.898) 11.915 1.978 ( 14.182 -0.000 3.704) 14.658 2.251 ( 2.874 -0.000 -1.846) 3.416 2.366 ( -0.801 0.000 -8.288) 8.326 2.373 ( 12.510 -0.000 27.311) 30.040 2.578 ( -12.521 0.000 8.237) 14.987 2.706 ( -0.136 0.000 4.182) 4.185 2.796 ( 8.659 -0.000 0.999) 8.716 3.141 ( -1.976 0.000 -2.054) 2.850 3.292 ( -4.464 0.000 -4.201) 6.130 3.294 ( -4.769 0.000 4.990) 6.903 3.485 ( 0.257 -0.000 0.890) 0.926 3.625 ( -23.940 0.000 -13.450) 27.460 3.779 ( 4.650 -0.000 11.951) 12.824 4.052 ( -13.929 0.000 -4.595) 14.667 4.132 ( 0.025 -0.000 6.244) 6.244 4.271 ( -0.809 0.000 5.233) 5.295 4.320 ( -4.219 0.000 9.247) 10.164 4.684 ( 2.370 -0.000 9.147) 9.449 4.854 ( -0.871 0.000 6.064) 6.126 5.033 ( 14.022 -0.000 3.547) 14.464 5.121 ( -0.971 0.000 -8.165) 8.222 5.302 ( 7.462 -0.000 4.574) 8.752 5.498 ( 4.693 -0.000 -3.899) 6.102 5.705 ( -3.842 0.000 -3.490) 5.190 6.172 ( 0.919 -0.000 11.238) 11.276 6.416 ( 0.328 -0.000 5.047) 5.058 6.452 ( -4.771 0.000 -1.263) 4.935 6.580 ( -2.647 0.000 -6.280) 6.815 6.721 ( -0.948 0.000 5.906) 5.982 6.831 ( -5.574 0.000 16.216) 17.147 6.905 ( 2.157 -0.000 7.118) 7.438 7.000 ( 4.112 -0.000 3.757) 5.570 7.259 ( 2.562 -0.000 3.822) 4.601 7.374 ( -3.643 0.000 -2.150) 4.231 7.470 ( -19.398 0.000 0.936) 19.421 7.963 ( 15.067 -0.000 -4.723) 15.790 8.308 ( 12.412 -0.000 12.314) 17.484 8.547 ( -1.126 0.000 0.689) 1.320 8.776 ( -2.892 0.000 -2.824) 4.042 8.968 ( -0.597 0.000 -18.333) 18.343 9.147 ( -0.987 0.000 4.556) 4.661 9.549 ( -3.629 0.000 5.125) 6.280 9.695 ( 2.034 -0.000 -1.505) 2.530 10.025 ( -3.535 0.000 -1.587) 3.875 10.083 ( 4.975 -0.000 -2.760) 5.689 10.199 ( 5.089 -0.000 -5.103) 7.207 10.412 ( -0.946 0.000 -3.206) 3.343 10.675 ( 5.891 -0.000 -5.375) 7.974 11.171 ( -0.596 0.000 -3.375) 3.427 12.003 ( -2.304 0.000 -5.049) 5.550 12.096 ( -0.951 0.000 2.782) 2.940 12.351 ( -8.540 0.000 -7.659) 11.471 12.468 ( 6.709 -0.000 2.123) 7.037 13.044 ( -2.933 0.000 0.826) 3.047 13.143 ( 7.104 -0.000 -0.126) 7.105 13.518 ( -2.600 0.000 2.189) 3.399 13.949 ( -3.454 0.000 -6.530) 7.387 13.962 ( -6.503 0.000 -3.081) 7.196 14.228 ( -4.575 0.000 1.912) 4.958 14.289 ( -7.724 0.000 -7.380) 10.683 14.618 ( -0.359 0.000 -0.585) 0.686 14.744 ( 3.059 -0.000 -0.784) 3.157 15.167 ( 0.610 -0.000 -2.802) 2.867 15.294 ( 4.210 -0.000 4.216) 5.958 15.527 ( 3.996 -0.000 1.299) 4.202 15.858 ( 10.825 -0.000 -0.784) 10.854 16.125 ( -14.804 0.000 -4.574) 15.494 16.180 ( 9.043 -0.000 4.880) 10.275 16.544 ( -0.501 0.000 -3.973) 4.004 17.216 ( -2.641 0.000 -2.831) 3.872 17.280 ( 1.469 -0.000 -4.609) 4.838 17.451 ( -6.177 0.000 -3.432) 7.066 17.802 ( 2.902 -0.000 7.111) 7.680 20.785 ( 1.242 -0.000 -4.583) 4.748 20.990 ( 0.312 -0.000 1.191) 1.231 21.238 ( -0.870 0.000 2.677) 2.815 21.568 ( 0.040 -0.000 -1.972) 1.972 21.980 ( 1.845 -0.000 -1.989) 2.713 22.306 ( -2.374 0.000 2.535) 3.473 22.451 ( 0.118 -0.000 3.959) 3.961 23.187 ( -1.470 0.000 3.463) 3.763 25.817 ( 0.227 -0.000 -0.233) 0.326 27.898 ( -11.624 0.000 -34.757) 36.649 28.672 ( -8.798 0.000 -16.911) 19.062 29.288 ( 19.258 -0.000 2.349) 19.401 30.424 ( -9.689 0.000 -0.290) 9.694 30.621 ( 16.048 -0.000 -1.615) 16.129 31.133 ( -14.754 0.000 -4.791) 15.512 31.224 ( 8.040 -0.000 -6.815) 10.540 31.308 ( 1.422 -0.000 -5.902) 6.071 31.719 ( 1.269 -0.000 -4.561) 4.734 32.026 ( -1.985 0.000 -2.416) 3.127 32.310 ( -5.894 0.000 -0.041) 5.894 32.354 ( 3.380 -0.000 -1.345) 3.638 33.280 ( 11.660 -0.000 -10.834) 15.917 33.364 ( 6.165 -0.000 -18.286) 19.297 33.911 ( -2.217 0.000 -17.505) 17.644 34.587 ( -2.394 0.000 13.777) 13.984 34.881 ( -3.400 0.000 17.096) 17.431 35.662 ( -0.693 0.000 18.456) 18.469 36.173 ( -16.964 0.000 22.812) 28.428 37.082 ( -10.392 0.000 6.745) 12.389 37.467 ( 13.946 -0.000 -2.303) 14.135 37.643 ( 4.214 -0.000 3.249) 5.321 38.459 ( 2.492 -0.000 6.197) 6.679 ======================= Grid point 65 (35/78) ======================= q-point: (-0.40 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -1.791 0.449 28.805) 28.864 1.569 ( 13.163 -10.203 26.784) 31.540 1.721 ( 2.073 -7.540 20.589) 22.024 2.032 ( -14.306 10.895 1.076) 18.014 2.112 ( 5.949 1.010 -6.008) 8.515 2.266 ( 2.782 1.696 -0.020) 3.258 2.490 ( 3.192 7.467 13.964) 16.154 2.687 ( -3.372 -2.891 4.953) 6.653 2.700 ( 1.019 -2.685 3.058) 4.195 2.793 ( 1.899 4.503 -3.208) 5.846 3.111 ( -4.406 2.072 2.396) 5.426 3.239 ( -2.897 -5.181 -4.645) 7.537 3.317 ( -1.852 -6.604 1.227) 6.968 3.517 ( -1.698 -3.693 -1.641) 4.383 3.564 ( 4.420 -9.165 0.249) 10.179 3.741 ( -11.938 0.369 3.758) 12.521 3.940 ( 0.992 3.125 3.763) 4.990 4.178 ( -0.510 -5.928 7.673) 9.710 4.234 ( -3.738 0.886 0.510) 3.875 4.321 ( -5.131 -2.485 10.353) 11.819 4.703 ( -7.629 1.956 5.829) 9.798 4.788 ( -4.730 -2.635 5.800) 7.934 4.990 ( -10.038 1.967 10.023) 14.320 5.098 ( -2.827 -2.059 -11.049) 11.589 5.551 ( 9.305 1.466 -4.472) 10.428 5.584 ( 10.117 4.442 -6.166) 12.653 5.692 ( 24.517 2.584 7.835) 25.868 6.220 ( 1.023 1.850 10.897) 11.100 6.380 ( -5.944 2.537 -0.297) 6.470 6.408 ( -2.726 -2.588 1.032) 3.898 6.491 ( -0.378 5.574 -0.412) 5.602 6.661 ( -6.446 3.323 5.666) 9.203 6.785 ( -3.081 -1.055 9.378) 9.928 6.966 ( -0.531 0.802 -0.256) 0.995 7.100 ( 0.886 1.492 11.458) 11.589 7.192 ( -3.562 -4.524 2.031) 6.105 7.287 ( -6.710 -0.728 -1.127) 6.843 7.429 ( 1.098 -2.560 3.183) 4.230 8.131 ( 9.986 -3.041 -7.069) 12.607 8.361 ( 4.896 12.553 12.907) 18.659 8.566 ( -2.564 -5.646 5.933) 8.582 8.801 ( 5.148 -1.109 -1.912) 5.603 8.873 ( 0.471 4.757 -20.022) 20.585 9.088 ( -1.464 5.356 2.420) 6.057 9.530 ( -1.028 -0.342 5.590) 5.694 9.730 ( 2.136 -0.203 -1.488) 2.611 10.055 ( -0.837 -6.817 -3.484) 7.701 10.113 ( 3.088 0.151 -1.758) 3.556 10.274 ( 0.271 -1.388 -4.739) 4.946 10.394 ( 0.878 -1.811 -2.843) 3.484 10.720 ( 5.115 1.359 -4.553) 6.981 11.124 ( -1.993 2.757 -4.389) 5.553 11.915 ( -1.187 3.321 -2.981) 4.618 12.142 ( -2.263 -2.123 -0.565) 3.154 12.168 ( -6.098 3.969 -7.702) 10.596 12.617 ( 8.400 -4.532 2.982) 9.999 13.095 ( -0.634 -7.510 3.054) 8.132 13.154 ( 0.827 4.598 -0.436) 4.692 13.555 ( -1.805 -7.366 0.290) 7.589 13.767 ( -3.413 7.095 -6.826) 10.420 14.008 ( -1.216 -6.722 -2.528) 7.284 14.112 ( -0.943 3.605 0.461) 3.755 14.331 ( -7.458 -8.286 -4.875) 12.167 14.536 ( -1.770 4.220 -1.155) 4.720 14.760 ( -2.029 -0.873 -0.629) 2.296 15.144 ( 2.145 3.478 -1.075) 4.225 15.398 ( 3.156 -3.773 4.226) 6.485 15.569 ( 3.217 0.542 -0.489) 3.299 15.916 ( -13.799 0.426 -4.224) 14.437 15.982 ( 12.305 4.054 -0.897) 12.987 16.339 ( 5.475 -6.891 2.901) 9.267 16.565 ( 2.022 -1.412 -2.993) 3.878 17.123 ( -4.068 5.337 -5.558) 8.714 17.223 ( -4.397 0.915 -4.693) 6.496 17.431 ( -1.462 -3.151 1.969) 3.992 17.834 ( 3.244 2.543 5.532) 6.899 20.788 ( -1.073 -1.364 -4.489) 4.812 20.944 ( 0.538 5.474 0.488) 5.522 21.286 ( -0.591 -4.911 3.233) 5.910 21.594 ( 0.168 -3.713 -2.665) 4.573 21.978 ( 1.736 2.444 -1.680) 3.436 22.277 ( -0.413 1.997 3.267) 3.852 22.481 ( 0.974 -1.119 4.521) 4.758 23.151 ( -2.013 2.184 2.730) 4.034 25.829 ( 0.672 -0.835 -0.110) 1.078 27.469 ( -14.204 16.667 -26.048) 34.030 28.685 ( -5.654 -17.722 -20.808) 27.910 29.643 ( 19.994 -7.954 -0.503) 21.524 30.256 ( -11.184 3.965 -0.692) 11.886 30.708 ( 5.244 6.560 -8.607) 12.025 30.989 ( -7.328 -1.933 -1.668) 7.760 31.280 ( 7.975 2.335 -5.061) 9.730 31.340 ( 2.667 -1.846 -3.929) 5.095 31.791 ( 1.611 -7.734 -4.731) 9.208 32.035 ( 1.667 -2.099 -4.082) 4.883 32.237 ( -4.707 1.345 1.253) 5.053 32.347 ( -0.338 2.460 -2.148) 3.283 33.323 ( 7.579 5.344 -15.515) 18.075 33.376 ( 2.118 1.325 -11.271) 11.545 33.849 ( -0.010 -0.550 -17.837) 17.846 34.620 ( -2.852 -3.644 13.451) 14.224 34.855 ( -1.843 3.892 16.891) 17.431 35.753 ( -1.659 -7.348 19.224) 20.647 36.021 ( -8.903 5.343 20.915) 23.350 37.027 ( -8.339 -4.452 6.424) 11.430 37.593 ( 13.364 3.680 -2.831) 14.147 37.740 ( 2.141 -5.176 3.823) 6.781 38.451 ( 0.792 5.896 6.516) 8.823 ======================= Grid point 66 (36/78) ======================= q-point: (-0.20 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 6.890 -1.507 25.080) 26.053 1.714 ( -20.834 1.874 10.972) 23.621 1.807 ( -6.614 5.487 7.150) 11.179 1.943 ( 4.488 -9.286 10.357) 14.617 2.078 ( -2.494 1.430 -0.484) 2.915 2.186 ( 2.009 8.745 -0.682) 8.999 2.410 ( 1.864 7.224 5.338) 9.174 2.436 ( 0.067 6.061 -1.983) 6.377 2.767 ( -2.622 -6.779 8.357) 11.075 3.054 ( -3.145 0.022 11.802) 12.214 3.109 ( 9.422 -5.980 5.023) 12.238 3.317 ( -2.261 -7.278 -4.534) 8.868 3.360 ( 0.919 -6.338 -1.628) 6.608 3.508 ( 2.839 1.218 4.111) 5.142 3.642 ( 2.216 5.275 8.557) 10.294 3.747 ( -0.583 3.576 3.021) 4.718 3.983 ( 7.282 -3.256 -0.648) 8.003 4.180 ( -8.944 -2.862 -3.342) 9.968 4.316 ( -4.169 -5.217 16.881) 18.154 4.341 ( 1.478 -5.882 5.057) 7.897 4.533 ( -13.736 -1.771 6.910) 15.478 4.845 ( -0.900 -2.864 8.431) 8.950 4.883 ( -6.607 1.402 9.784) 11.889 5.064 ( -2.930 -1.252 -13.423) 13.796 5.508 ( 3.310 6.570 -7.156) 10.263 5.570 ( 1.568 4.259 -9.735) 10.741 5.944 ( 6.955 2.490 4.567) 8.685 6.192 ( 11.758 3.769 8.116) 14.777 6.265 ( -8.903 -0.912 -3.775) 9.713 6.368 ( -4.368 3.179 6.838) 8.714 6.535 ( 0.166 3.419 6.756) 7.574 6.562 ( 4.394 -3.289 5.719) 7.927 6.764 ( 1.645 3.482 8.232) 9.088 7.001 ( 3.648 -2.564 0.602) 4.500 7.019 ( -1.238 2.773 3.975) 5.003 7.139 ( -7.890 2.705 -4.686) 9.567 7.421 ( 0.368 -9.476 3.723) 10.188 7.502 ( -0.682 -6.013 5.784) 8.371 8.154 ( -7.039 8.774 9.011) 14.413 8.229 ( 5.360 6.712 -0.057) 8.590 8.619 ( -1.777 -5.455 -0.310) 5.746 8.743 ( 1.398 5.528 -19.057) 19.892 8.919 ( 7.991 -1.085 1.219) 8.156 8.999 ( -1.533 2.900 1.551) 3.629 9.560 ( -0.652 -2.630 4.468) 5.226 9.733 ( 1.585 1.942 -0.315) 2.527 10.096 ( -1.060 2.114 -2.970) 3.796 10.187 ( 2.591 -4.055 -2.859) 5.597 10.233 ( -1.268 -1.674 -5.149) 5.560 10.445 ( 1.107 0.359 -4.845) 4.983 10.735 ( 3.930 2.681 -3.952) 6.185 11.041 ( -1.616 1.237 -4.972) 5.372 11.887 ( -0.424 0.202 -1.043) 1.144 12.006 ( -2.672 -0.601 -2.934) 4.014 12.210 ( 0.266 -3.035 -2.155) 3.732 12.750 ( 5.451 1.594 0.232) 5.684 13.050 ( -3.242 4.116 -2.824) 5.952 13.251 ( 0.933 -8.807 4.171) 9.790 13.587 ( -2.674 -1.336 -3.693) 4.751 13.733 ( -1.205 -2.960 -1.405) 3.491 14.079 ( 2.307 0.527 3.736) 4.422 14.123 ( 2.879 -4.814 -0.125) 5.611 14.327 ( 1.883 -0.706 0.686) 2.125 14.553 ( -4.177 -8.094 -5.420) 10.598 14.720 ( -4.297 -1.430 -0.313) 4.539 15.084 ( 1.164 6.818 -1.691) 7.120 15.485 ( -0.226 -4.043 2.025) 4.527 15.571 ( 2.854 3.721 -2.664) 5.393 15.725 ( -8.599 3.570 -3.410) 9.915 16.066 ( 10.537 3.584 -0.898) 11.166 16.465 ( -6.661 -5.706 -6.505) 10.920 16.644 ( 9.942 -3.244 4.208) 11.273 16.961 ( -4.048 5.769 -7.789) 10.504 17.189 ( -2.410 -2.526 -1.293) 3.723 17.494 ( -0.352 -4.686 3.052) 5.604 17.811 ( 0.673 4.596 3.290) 5.692 20.776 ( -2.056 -0.439 -0.932) 2.300 20.879 ( 1.481 2.517 -2.091) 3.592 21.359 ( -0.609 -2.968 3.799) 4.859 21.664 ( 0.339 -4.259 -2.886) 5.156 21.936 ( 1.296 4.053 -2.354) 4.863 22.256 ( -0.154 0.769 3.158) 3.254 22.513 ( 0.290 -0.304 4.547) 4.566 23.105 ( -1.036 1.297 2.328) 2.859 25.851 ( 0.468 -0.519 -0.597) 0.919 27.120 ( -5.704 1.953 -12.710) 14.067 28.904 ( -1.243 -16.410 -30.044) 34.256 29.950 ( 15.481 -3.653 -0.882) 15.930 30.096 ( -2.844 2.203 -1.973) 4.102 30.517 ( -5.887 10.818 -8.640) 15.045 30.963 ( -4.117 -2.068 -4.183) 6.223 31.331 ( 4.914 0.788 -2.351) 5.505 31.415 ( 7.492 -1.241 -4.729) 8.946 31.941 ( 0.459 -7.829 -2.466) 8.221 32.057 ( 2.673 4.128 -8.295) 9.643 32.217 ( 0.159 -5.225 -1.766) 5.518 32.278 ( -1.173 2.586 -1.504) 3.213 33.166 ( -6.388 7.149 -10.579) 14.277 33.390 ( 8.173 3.111 -11.246) 14.246 33.854 ( 2.200 -2.499 -15.084) 15.447 34.689 ( -3.295 -5.124 14.036) 15.300 34.794 ( -1.594 5.246 14.616) 15.610 35.886 ( -2.935 8.063 18.867) 20.726 35.940 ( -4.434 -13.598 20.062) 24.638 37.049 ( -4.189 -5.598 5.373) 8.818 37.649 ( 10.481 6.056 -4.159) 12.799 37.825 ( -4.679 -2.674 8.105) 9.733 38.329 ( -0.312 8.569 4.397) 9.636 ======================= Grid point 70 (37/78) ======================= q-point: (-0.40 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -11.651 0.000 23.293) 26.045 1.508 ( 5.668 -0.000 30.358) 30.882 1.824 ( -28.429 0.000 -16.026) 32.635 1.851 ( 0.465 -0.000 25.055) 25.059 2.273 ( 1.681 -0.000 -4.004) 4.343 2.350 ( -10.158 0.000 -5.426) 11.516 2.393 ( 5.268 -0.000 -7.651) 9.289 2.619 ( -8.368 0.000 5.820) 10.193 2.796 ( 13.913 -0.000 12.011) 18.380 3.035 ( 16.804 -0.000 10.701) 19.922 3.088 ( -2.098 0.000 0.958) 2.306 3.166 ( 5.932 -0.000 0.917) 6.003 3.223 ( -5.158 0.000 5.432) 7.491 3.467 ( -9.777 0.000 -3.579) 10.411 3.509 ( 10.918 -0.000 -0.345) 10.923 3.688 ( 5.098 -0.000 5.533) 7.524 4.038 ( 5.859 -0.000 1.045) 5.951 4.080 ( -5.293 0.000 5.489) 7.626 4.246 ( -6.810 0.000 11.640) 13.486 4.250 ( -0.985 0.000 8.423) 8.481 4.575 ( -17.811 0.000 4.620) 18.400 4.737 ( -1.220 0.000 7.144) 7.247 4.939 ( -5.868 0.000 8.619) 10.427 5.011 ( -3.362 0.000 -14.178) 14.571 5.632 ( 6.596 -0.000 -4.665) 8.079 5.685 ( 1.213 -0.000 -7.639) 7.734 6.041 ( 19.806 -0.000 9.008) 21.758 6.220 ( -10.635 0.000 -7.091) 12.782 6.306 ( 2.382 -0.000 15.987) 16.163 6.362 ( -6.570 0.000 8.171) 10.484 6.590 ( 5.994 -0.000 -5.567) 8.180 6.700 ( -0.098 0.000 4.962) 4.963 6.755 ( 1.552 -0.000 11.862) 11.963 7.013 ( 2.330 -0.000 7.016) 7.393 7.029 ( -0.363 0.000 -1.100) 1.158 7.163 ( -10.909 0.000 -3.811) 11.555 7.208 ( -0.072 0.000 9.180) 9.180 7.482 ( 5.824 -0.000 2.617) 6.385 8.114 ( -10.377 0.000 -0.029) 10.377 8.356 ( -1.243 0.000 -6.343) 6.464 8.779 ( 17.152 -0.000 15.818) 23.333 8.855 ( 4.517 -0.000 1.206) 4.675 8.864 ( 2.164 -0.000 -17.507) 17.641 9.141 ( 0.759 -0.000 -1.940) 2.083 9.547 ( 1.197 -0.000 6.624) 6.732 9.760 ( 3.468 -0.000 -1.624) 3.829 9.960 ( 0.641 -0.000 -5.850) 5.885 10.148 ( 1.363 -0.000 -2.326) 2.696 10.250 ( -1.871 0.000 -2.544) 3.158 10.374 ( 1.039 -0.000 -1.731) 2.019 10.787 ( 5.061 -0.000 -2.751) 5.760 11.104 ( -3.408 0.000 -5.471) 6.446 11.907 ( -2.650 0.000 -4.059) 4.847 12.090 ( -9.658 0.000 -10.304) 14.123 12.112 ( 2.011 -0.000 -1.336) 2.414 12.701 ( 9.715 -0.000 5.096) 10.970 13.046 ( 1.587 -0.000 8.557) 8.703 13.226 ( 0.030 -0.000 -1.257) 1.257 13.402 ( -6.629 0.000 -4.344) 7.926 13.781 ( -8.243 0.000 -16.241) 18.213 13.830 ( -5.024 0.000 0.576) 5.057 14.167 ( 1.897 -0.000 3.297) 3.804 14.240 ( 6.586 -0.000 0.191) 6.589 14.561 ( -2.330 0.000 -3.390) 4.113 14.677 ( -7.734 0.000 -0.607) 7.758 15.179 ( 0.377 -0.000 -0.122) 0.396 15.417 ( 0.572 -0.000 6.142) 6.168 15.602 ( 2.225 -0.000 -0.091) 2.227 15.765 ( -9.577 0.000 -4.686) 10.662 16.186 ( 14.743 -0.000 -2.205) 14.907 16.257 ( -5.866 0.000 -1.769) 6.127 16.646 ( 10.143 -0.000 3.949) 10.885 17.105 ( -4.955 0.000 -4.928) 6.988 17.129 ( -8.213 0.000 -5.336) 9.794 17.407 ( 0.442 -0.000 2.697) 2.733 17.902 ( 2.206 -0.000 3.803) 4.396 20.746 ( -2.317 0.000 -4.532) 5.090 21.007 ( 0.512 -0.000 0.288) 0.588 21.239 ( -0.085 0.000 3.167) 3.168 21.553 ( -0.342 0.000 -2.444) 2.468 22.015 ( 1.616 -0.000 -1.711) 2.353 22.309 ( 1.233 -0.000 3.904) 4.094 22.505 ( 2.214 -0.000 4.464) 4.983 23.148 ( -2.498 0.000 2.957) 3.871 25.829 ( 0.663 -0.000 -0.077) 0.668 27.333 ( -21.265 0.000 -33.953) 40.063 28.336 ( -10.058 0.000 -12.363) 15.937 29.864 ( 22.523 -0.000 1.052) 22.548 30.161 ( -9.536 0.000 0.369) 9.543 30.630 ( -15.623 0.000 -5.556) 16.582 31.038 ( 9.394 -0.000 -4.914) 10.601 31.339 ( 3.776 -0.000 -6.335) 7.375 31.381 ( 5.432 -0.000 -3.749) 6.600 31.735 ( 1.608 -0.000 -2.288) 2.797 32.057 ( 8.160 -0.000 -4.196) 9.176 32.212 ( -2.746 0.000 0.396) 2.774 32.327 ( -4.787 0.000 -1.679) 5.073 33.366 ( 0.873 -0.000 -18.149) 18.170 33.413 ( 1.187 -0.000 -9.224) 9.300 33.806 ( 2.820 -0.000 -18.210) 18.427 34.588 ( -2.877 0.000 13.685) 13.984 34.912 ( -0.961 0.000 16.537) 16.565 35.699 ( -4.301 0.000 20.079) 20.535 36.042 ( -2.641 0.000 19.086) 19.268 36.942 ( -2.477 0.000 4.076) 4.770 37.719 ( 0.540 -0.000 4.447) 4.479 37.781 ( 12.960 -0.000 -4.049) 13.578 38.541 ( 1.703 -0.000 7.927) 8.108 ======================= Grid point 71 (38/78) ======================= q-point: (-0.20 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -14.055 -9.770 17.689) 24.615 1.335 ( -30.349 -3.438 -10.647) 32.345 1.735 ( -2.000 -5.748 17.838) 18.847 1.821 ( -9.211 -5.568 11.792) 15.966 2.144 ( -0.754 7.316 -4.277) 8.507 2.267 ( -4.972 0.151 2.245) 5.458 2.427 ( 7.341 0.946 -1.663) 7.586 2.563 ( -9.090 -5.388 6.746) 12.537 2.859 ( 4.177 22.033 9.118) 24.209 3.008 ( -14.549 2.250 5.987) 15.893 3.158 ( 15.037 -9.604 2.932) 18.081 3.217 ( -2.230 -0.325 3.503) 4.165 3.356 ( 8.572 -0.684 2.994) 9.105 3.549 ( 15.189 -11.738 6.709) 20.335 3.756 ( 4.970 1.454 8.158) 9.663 3.796 ( 10.057 -7.046 1.580) 12.381 4.028 ( 1.207 2.618 1.209) 3.126 4.072 ( 2.909 -0.142 -3.869) 4.843 4.223 ( -5.870 -3.576 13.761) 15.382 4.294 ( -3.876 -1.929 8.301) 9.362 4.402 ( -4.682 0.104 7.506) 8.847 4.760 ( -3.576 -3.289 5.875) 7.623 4.880 ( -4.726 1.671 9.342) 10.602 4.954 ( -3.448 -2.124 -15.075) 15.609 5.580 ( -3.032 6.444 -8.577) 11.148 5.680 ( 5.162 2.091 -6.860) 8.836 6.023 ( -14.023 5.043 -2.894) 15.181 6.151 ( -0.883 0.872 3.693) 3.896 6.326 ( -1.991 0.953 8.566) 8.846 6.377 ( 1.360 0.448 14.088) 14.160 6.595 ( 2.574 3.922 3.871) 6.082 6.720 ( 8.572 1.645 5.810) 10.485 6.838 ( 1.534 -0.323 7.758) 7.915 7.018 ( -5.956 0.858 -0.908) 6.086 7.058 ( 4.208 -3.591 -2.368) 6.017 7.151 ( 7.533 9.451 4.208) 12.797 7.217 ( -0.006 -11.220 5.112) 12.330 7.509 ( 0.796 2.459 0.424) 2.620 7.939 ( -20.958 -3.807 4.826) 21.841 8.422 ( 6.670 -3.059 -10.928) 13.163 8.701 ( 0.152 9.459 -8.409) 12.657 8.861 ( 4.487 8.124 1.538) 9.408 8.987 ( 6.384 1.033 6.566) 9.216 9.076 ( 1.858 8.260 -5.783) 10.253 9.572 ( 2.042 1.474 5.492) 6.042 9.786 ( 2.622 1.642 -0.699) 3.172 10.065 ( 1.964 -8.647 -8.067) 11.988 10.123 ( 0.372 1.468 -1.999) 2.507 10.221 ( -0.982 -0.498 -0.668) 1.288 10.424 ( 1.106 -2.803 -3.572) 4.673 10.828 ( 5.185 2.237 -0.723) 5.693 11.017 ( -4.558 1.789 -7.498) 8.955 11.886 ( -1.145 1.604 0.913) 2.172 11.940 ( -4.628 -0.805 -6.588) 8.091 12.160 ( 1.569 -2.782 -3.336) 4.618 12.834 ( 5.708 -0.961 2.011) 6.128 13.097 ( -2.441 5.989 -0.927) 6.533 13.167 ( 3.511 -5.787 8.794) 11.097 13.470 ( -1.663 -9.452 -3.699) 10.286 13.649 ( -3.658 -2.163 -7.048) 8.230 13.889 ( -6.408 -11.166 -2.298) 13.078 14.214 ( 6.498 0.740 4.415) 7.890 14.362 ( 9.858 -1.405 -0.422) 9.966 14.473 ( -3.684 2.883 -1.588) 4.940 14.611 ( -6.661 -2.838 -2.185) 7.563 15.154 ( -1.581 2.821 -0.822) 3.337 15.415 ( -4.344 -2.330 2.964) 5.752 15.637 ( 2.763 0.486 -2.188) 3.558 15.669 ( -3.257 0.569 -2.832) 4.353 16.177 ( -5.653 -1.862 -1.518) 6.142 16.347 ( 8.381 0.112 -4.073) 9.319 16.755 ( 8.348 1.201 3.240) 9.035 16.968 ( -6.102 4.357 -5.527) 9.315 17.097 ( -2.882 -4.074 -0.869) 5.065 17.445 ( 1.020 -2.642 3.527) 4.524 17.889 ( -0.586 3.839 1.629) 4.211 20.719 ( -2.461 -1.641 -2.803) 4.075 20.956 ( 0.121 5.000 -0.502) 5.027 21.295 ( -0.168 -4.578 4.123) 6.164 21.583 ( 0.109 -4.365 -2.814) 5.195 22.002 ( 0.680 2.915 -2.620) 3.978 22.312 ( 1.783 3.340 3.948) 5.470 22.538 ( 1.511 0.260 4.104) 4.381 23.116 ( -1.717 1.130 2.646) 3.350 25.844 ( 0.390 -0.706 -0.452) 0.925 26.980 ( -14.874 0.937 -18.391) 23.671 28.450 ( -3.569 -24.283 -19.238) 31.185 30.042 ( -1.576 2.038 3.106) 4.035 30.121 ( 10.667 -2.823 -4.945) 12.092 30.428 ( -14.836 0.633 -3.318) 15.216 31.040 ( 5.226 7.428 -6.677) 11.272 31.388 ( 1.718 0.655 -3.059) 3.569 31.437 ( 5.293 -3.121 -6.816) 9.177 31.808 ( 0.753 -6.954 -1.966) 7.265 32.141 ( -4.199 2.441 1.497) 5.082 32.204 ( 13.460 -0.301 -7.287) 15.309 32.272 ( -1.759 -0.253 -3.675) 4.082 33.203 ( -5.192 8.770 -12.038) 15.773 33.429 ( -0.000 -2.771 -11.875) 12.194 33.828 ( 5.084 -0.529 -15.246) 16.080 34.610 ( -3.231 -3.142 13.953) 14.663 34.901 ( -0.826 4.382 14.705) 15.367 35.744 ( -6.764 -7.362 20.747) 23.030 36.038 ( 2.665 5.809 16.731) 17.910 36.980 ( 2.835 -3.508 2.238) 5.035 37.725 ( -2.943 0.393 4.216) 5.156 37.894 ( 10.480 2.271 -2.074) 10.922 38.481 ( -1.898 9.583 5.969) 11.448 ======================= Grid point 76 (39/78) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -31.269 0.000 -13.722) 34.147 0.991 ( -15.572 0.000 27.817) 31.879 1.647 ( -12.707 0.000 12.925) 18.125 1.752 ( 2.572 -0.000 21.370) 21.524 2.167 ( -10.619 0.000 5.018) 11.745 2.253 ( 7.038 -0.000 -7.086) 9.987 2.447 ( -7.196 0.000 3.044) 7.813 2.456 ( -0.094 0.000 -3.069) 3.071 2.857 ( -12.504 0.000 5.344) 13.598 3.148 ( 2.677 -0.000 1.576) 3.107 3.152 ( 0.966 -0.000 10.953) 10.996 3.261 ( 8.536 -0.000 3.250) 9.133 3.500 ( 5.034 -0.000 -0.201) 5.038 3.539 ( 4.409 -0.000 1.239) 4.580 3.810 ( 3.278 -0.000 4.915) 5.908 3.815 ( -1.643 0.000 7.116) 7.304 4.022 ( -6.704 0.000 -9.186) 11.372 4.081 ( -6.683 0.000 18.297) 19.479 4.216 ( -2.172 0.000 -1.198) 2.481 4.373 ( 34.668 -0.000 13.290) 37.128 4.493 ( 9.839 -0.000 13.965) 17.083 4.701 ( -3.494 0.000 1.439) 3.779 4.858 ( -4.907 0.000 7.020) 8.565 4.866 ( -1.931 0.000 -13.174) 13.315 5.571 ( -6.172 0.000 -9.022) 10.931 5.717 ( 2.329 -0.000 -8.305) 8.626 5.810 ( -19.865 0.000 -4.055) 20.275 6.220 ( 2.300 -0.000 11.836) 12.057 6.318 ( -2.351 0.000 7.625) 7.979 6.432 ( 0.151 -0.000 16.074) 16.075 6.713 ( 6.583 -0.000 2.142) 6.923 6.814 ( 7.233 -0.000 4.406) 8.469 6.849 ( -5.152 0.000 10.718) 11.892 6.859 ( -11.326 0.000 -3.374) 11.818 7.101 ( -4.955 0.000 0.062) 4.955 7.103 ( 1.165 -0.000 4.000) 4.167 7.466 ( 23.741 -0.000 -0.381) 23.744 7.533 ( -1.438 0.000 -4.606) 4.825 7.645 ( -20.222 0.000 4.487) 20.714 8.432 ( 5.770 -0.000 -12.803) 14.043 8.747 ( 0.348 -0.000 -14.351) 14.355 8.890 ( -1.382 0.000 3.312) 3.589 9.051 ( -3.631 0.000 5.216) 6.355 9.320 ( 8.361 -0.000 -8.420) 11.866 9.643 ( 2.265 -0.000 2.328) 3.248 9.838 ( 2.962 -0.000 -0.730) 3.051 9.951 ( -0.484 0.000 -7.784) 7.799 10.120 ( -3.715 0.000 -1.865) 4.157 10.210 ( 1.960 -0.000 -0.621) 2.056 10.395 ( 0.211 -0.000 -2.482) 2.491 10.917 ( 1.950 -0.000 -0.521) 2.019 10.950 ( -2.053 0.000 -7.489) 7.766 11.852 ( -4.429 0.000 -2.506) 5.088 11.971 ( 11.237 -0.000 6.945) 13.210 12.148 ( 1.480 -0.000 -4.464) 4.703 12.849 ( -1.976 0.000 -1.781) 2.660 13.181 ( 4.231 -0.000 15.221) 15.798 13.203 ( -0.170 0.000 -1.269) 1.280 13.230 ( -2.328 0.000 -4.260) 4.854 13.594 ( 3.006 -0.000 -3.739) 4.798 13.773 ( 0.342 -0.000 6.486) 6.495 14.289 ( 4.080 -0.000 1.933) 4.514 14.435 ( -9.760 0.000 -0.648) 9.782 14.475 ( 6.036 -0.000 1.418) 6.200 14.545 ( 7.651 -0.000 -5.794) 9.597 15.139 ( -4.465 0.000 -1.977) 4.883 15.328 ( -6.449 0.000 1.677) 6.664 15.653 ( 3.458 -0.000 -2.890) 4.507 15.664 ( -0.555 0.000 -0.256) 0.611 16.018 ( -11.935 0.000 -1.266) 12.002 16.503 ( 12.262 -0.000 -0.930) 12.297 16.812 ( -1.731 0.000 -4.280) 4.617 16.948 ( -5.680 0.000 -1.450) 5.862 17.036 ( 4.073 -0.000 2.663) 4.867 17.454 ( 2.653 -0.000 4.700) 5.397 17.911 ( -2.069 0.000 -1.030) 2.311 20.671 ( -1.804 0.000 -2.438) 3.033 21.004 ( -0.669 0.000 -0.398) 0.779 21.255 ( -0.343 0.000 4.264) 4.277 21.539 ( 0.267 -0.000 -2.014) 2.031 22.023 ( -0.423 0.000 -3.963) 3.985 22.395 ( 4.027 -0.000 3.997) 5.674 22.562 ( 0.553 -0.000 2.994) 3.045 23.110 ( -1.725 0.000 2.924) 3.395 25.840 ( 0.262 -0.000 -0.356) 0.442 26.782 ( -7.106 0.000 -9.307) 11.709 28.143 ( -1.855 0.000 -6.669) 6.922 30.033 ( -1.928 0.000 3.084) 3.637 30.170 ( 1.724 -0.000 -10.201) 10.346 30.267 ( -11.395 0.000 0.329) 11.400 31.178 ( 6.995 -0.000 -5.511) 8.905 31.373 ( -0.023 0.000 -3.077) 3.077 31.451 ( 2.637 -0.000 -7.262) 7.725 31.751 ( 0.237 -0.000 -1.023) 1.050 32.133 ( -2.398 0.000 2.997) 3.839 32.153 ( -7.634 0.000 -1.298) 7.744 32.443 ( 22.318 -0.000 -13.628) 26.150 33.234 ( -5.420 0.000 -15.143) 16.084 33.276 ( -7.136 0.000 -7.287) 10.199 33.874 ( 6.884 -0.000 -12.849) 14.577 34.579 ( -3.179 0.000 14.070) 14.424 34.962 ( -1.039 0.000 13.454) 13.494 35.648 ( -7.045 0.000 20.181) 21.376 36.197 ( 8.808 -0.000 12.739) 15.487 37.008 ( 6.434 -0.000 0.409) 6.447 37.707 ( -3.897 0.000 7.314) 8.288 38.013 ( 7.988 -0.000 -5.630) 9.772 38.543 ( -7.258 0.000 0.895) 7.313 ======================= Grid point 77 (40/78) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 25.214 -0.000 7.633) 26.344 1.610 ( 2.446 -0.000 32.265) 32.358 1.754 ( 1.075 -0.000 1.547) 1.884 1.893 ( -4.472 0.000 -11.694) 12.520 2.038 ( -8.813 0.000 4.974) 10.120 2.211 ( -4.172 0.000 10.159) 10.983 2.315 ( -3.393 0.000 5.552) 6.507 2.603 ( -1.328 0.000 2.730) 3.036 2.798 ( -11.028 0.000 0.050) 11.028 3.122 ( 10.351 -0.000 4.296) 11.207 3.213 ( 1.411 -0.000 -3.621) 3.886 3.292 ( -7.501 0.000 -3.181) 8.147 3.459 ( -5.696 0.000 12.584) 13.813 3.465 ( 1.617 -0.000 0.408) 1.668 3.719 ( -3.777 0.000 0.672) 3.837 3.888 ( 2.257 -0.000 5.032) 5.515 4.035 ( 6.603 -0.000 5.105) 8.347 4.250 ( 1.731 -0.000 -1.083) 2.042 4.404 ( -9.557 0.000 -11.265) 14.773 4.520 ( 0.929 -0.000 6.117) 6.187 4.832 ( 8.438 -0.000 -1.686) 8.605 4.860 ( -2.170 0.000 7.869) 8.162 5.083 ( -11.014 0.000 -2.120) 11.216 5.253 ( -0.286 0.000 15.971) 15.973 5.332 ( 3.038 -0.000 -7.209) 7.823 5.446 ( -12.232 0.000 17.204) 21.110 5.862 ( 30.985 -0.000 8.217) 32.056 6.396 ( -3.173 0.000 3.081) 4.423 6.434 ( -8.039 0.000 -5.941) 9.996 6.509 ( -13.817 0.000 2.275) 14.003 6.607 ( -7.313 0.000 1.353) 7.437 6.719 ( -3.394 0.000 9.737) 10.311 6.900 ( -1.152 0.000 -1.761) 2.104 6.971 ( 3.639 -0.000 -1.096) 3.800 7.098 ( 0.485 -0.000 7.907) 7.922 7.179 ( 2.784 -0.000 -1.930) 3.387 7.319 ( -9.107 0.000 9.386) 13.078 7.531 ( 2.343 -0.000 1.720) 2.906 7.883 ( 12.748 -0.000 -1.060) 12.792 8.242 ( 4.321 -0.000 -9.976) 10.872 8.526 ( -2.851 0.000 -14.501) 14.779 8.813 ( -5.813 0.000 -0.454) 5.831 8.973 ( -1.351 0.000 4.012) 4.233 9.263 ( -2.139 0.000 4.084) 4.610 9.733 ( 3.634 -0.000 0.788) 3.719 9.768 ( -2.407 0.000 -0.172) 2.413 9.897 ( 3.800 -0.000 -3.480) 5.153 9.933 ( -6.438 0.000 -1.231) 6.554 10.213 ( -1.356 0.000 -3.150) 3.429 10.291 ( 0.954 -0.000 -4.578) 4.677 10.496 ( -5.206 0.000 -10.402) 11.632 11.073 ( 3.091 -0.000 -0.410) 3.118 11.944 ( 4.308 -0.000 0.126) 4.310 12.149 ( 1.909 -0.000 2.909) 3.479 12.387 ( 9.679 -0.000 2.782) 10.070 12.457 ( -7.916 0.000 -7.928) 11.203 13.000 ( -7.196 0.000 -5.095) 8.817 13.169 ( -2.359 0.000 -3.349) 4.097 13.602 ( 1.655 -0.000 8.557) 8.716 13.988 ( 11.836 -0.000 -2.986) 12.207 14.071 ( 5.381 -0.000 4.650) 7.112 14.252 ( -0.360 0.000 -0.449) 0.576 14.376 ( 5.338 -0.000 -2.694) 5.979 14.524 ( 0.958 -0.000 1.342) 1.649 14.711 ( -4.757 0.000 -0.384) 4.773 14.868 ( 6.486 -0.000 -3.272) 7.265 15.255 ( -1.134 0.000 1.965) 2.269 15.663 ( -4.221 0.000 -1.937) 4.644 15.667 ( -1.476 0.000 0.272) 1.501 15.788 ( -0.200 0.000 0.814) 0.838 16.581 ( -3.180 0.000 -4.439) 5.460 16.663 ( -6.446 0.000 -2.550) 6.932 16.842 ( 10.088 -0.000 -1.954) 10.275 17.216 ( 2.796 -0.000 0.521) 2.845 17.696 ( -5.368 0.000 -3.980) 6.682 17.731 ( 4.080 -0.000 5.154) 6.573 20.653 ( 1.620 -0.000 -0.832) 1.821 20.993 ( -0.159 0.000 0.701) 0.719 21.335 ( -1.508 0.000 3.525) 3.834 21.528 ( 1.509 -0.000 -1.026) 1.825 21.880 ( -0.425 0.000 -3.663) 3.687 22.465 ( -1.495 0.000 -0.715) 1.657 22.576 ( -2.674 0.000 1.576) 3.104 23.199 ( 1.578 -0.000 4.317) 4.596 25.822 ( -0.390 0.000 -0.851) 0.936 27.188 ( 25.955 -0.000 -6.306) 26.710 28.171 ( 9.593 -0.000 -0.815) 9.628 29.482 ( -14.194 0.000 -18.823) 23.575 30.181 ( 7.199 -0.000 3.413) 7.968 30.248 ( -1.127 0.000 5.344) 5.462 31.200 ( -5.200 0.000 -8.318) 9.810 31.287 ( 6.726 -0.000 -3.722) 7.687 31.347 ( -2.110 0.000 0.129) 2.114 31.673 ( -2.187 0.000 -4.063) 4.614 32.043 ( 1.623 -0.000 -0.123) 1.628 32.121 ( -1.334 0.000 -0.744) 1.527 32.408 ( 5.561 -0.000 -13.875) 14.948 32.934 ( 1.175 -0.000 -5.608) 5.730 33.041 ( -3.777 0.000 -1.523) 4.072 33.707 ( 5.025 -0.000 -14.043) 14.915 34.855 ( -2.533 0.000 13.303) 13.542 35.233 ( -3.401 0.000 13.401) 13.825 35.896 ( -4.532 0.000 12.282) 13.091 36.592 ( 8.890 -0.000 2.805) 9.322 37.155 ( 6.758 -0.000 -2.168) 7.098 37.812 ( -16.852 0.000 -2.640) 17.058 37.821 ( -5.288 0.000 10.491) 11.748 38.342 ( -1.568 0.000 4.093) 4.383 ======================= Grid point 78 (41/78) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 11.232 6.247 1.414) 12.930 1.656 ( -21.318 1.597 -21.573) 30.371 1.878 ( 1.937 -1.225 3.547) 4.223 1.904 ( -8.127 -6.135 19.985) 22.429 2.007 ( 0.626 -14.923 16.564) 22.304 2.353 ( 0.285 -0.988 8.329) 8.393 2.410 ( 14.611 -7.804 13.980) 21.675 2.613 ( -4.554 5.339 11.582) 13.542 2.776 ( 3.590 -12.622 -0.539) 13.134 3.133 ( -3.070 1.863 -0.493) 3.625 3.206 ( 2.619 0.713 -3.031) 4.069 3.288 ( 0.827 -2.670 -10.207) 10.583 3.433 ( 0.222 1.884 6.502) 6.773 3.567 ( 6.720 -2.276 16.626) 18.076 3.701 ( -0.867 -1.644 4.444) 4.817 3.909 ( 2.664 2.240 1.750) 3.896 4.014 ( 0.030 10.314 2.892) 10.712 4.167 ( -7.092 0.466 -4.072) 8.191 4.372 ( -4.263 -7.270 -6.776) 10.814 4.571 ( 2.120 -1.132 0.803) 2.534 4.788 ( -10.504 1.923 6.977) 12.756 4.886 ( 5.507 2.668 -1.188) 6.233 4.953 ( -10.685 -2.842 -2.617) 11.362 5.243 ( -4.131 2.688 10.659) 11.744 5.317 ( 0.840 1.903 9.118) 9.353 5.404 ( -5.275 -2.396 5.315) 7.863 6.158 ( -8.771 7.327 0.483) 11.439 6.273 ( 14.031 -0.538 6.748) 15.578 6.373 ( 0.605 2.474 0.704) 2.642 6.430 ( -0.176 -2.292 4.364) 4.932 6.520 ( 0.268 4.492 1.994) 4.922 6.737 ( -1.425 -3.183 6.629) 7.490 6.938 ( 1.634 -2.282 -0.907) 2.950 6.958 ( -0.990 0.368 -1.268) 1.650 7.085 ( 1.580 6.008 9.460) 11.317 7.132 ( -2.116 2.593 -0.742) 3.428 7.377 ( 1.157 -7.866 5.481) 9.657 7.652 ( 2.518 -7.089 1.757) 7.725 7.994 ( 7.163 0.133 1.127) 7.252 8.246 ( -2.223 6.609 -12.255) 14.100 8.332 ( -6.096 0.335 -8.446) 10.421 8.754 ( -2.822 3.460 -3.028) 5.394 8.975 ( -2.316 -1.618 2.588) 3.831 9.193 ( 0.128 6.427 6.546) 9.175 9.705 ( -3.732 1.770 1.997) 4.588 9.762 ( 2.871 2.507 0.397) 3.832 9.904 ( -3.188 -4.973 -0.656) 5.943 10.007 ( 3.226 -6.246 -3.503) 7.854 10.207 ( -2.967 -3.384 -5.717) 7.276 10.280 ( 2.664 2.839 -4.250) 5.763 10.466 ( -0.010 -3.509 -8.388) 9.092 11.072 ( 2.009 3.525 -1.561) 4.347 11.931 ( 0.951 4.396 -1.596) 4.772 12.182 ( 1.269 0.241 3.806) 4.019 12.321 ( 0.474 8.313 -2.019) 8.568 12.484 ( 0.052 -5.100 -2.542) 5.698 12.932 ( -0.940 -0.581 -2.358) 2.605 13.224 ( -3.808 -8.797 -4.459) 10.572 13.636 ( 0.095 -1.023 5.836) 5.926 13.874 ( -0.097 12.242 -3.844) 12.831 14.149 ( -1.652 -0.962 -1.164) 2.238 14.299 ( 6.609 0.374 -0.518) 6.640 14.456 ( 7.617 2.749 4.827) 9.427 14.564 ( -9.390 -3.861 -4.163) 10.974 14.660 ( -1.132 -6.994 -1.259) 7.196 14.914 ( 6.319 5.832 -1.302) 8.697 15.322 ( 2.003 -6.511 0.898) 6.871 15.577 ( -8.169 -1.293 -0.012) 8.271 15.644 ( 0.985 1.649 1.029) 2.179 15.892 ( 9.396 -3.385 -0.431) 9.997 16.507 ( -6.769 2.674 -3.136) 7.925 16.589 ( -5.300 -3.639 -3.583) 7.360 16.923 ( 10.349 5.444 -3.029) 12.080 17.226 ( 0.099 1.243 -0.941) 1.562 17.620 ( -5.119 -0.666 -2.083) 5.567 17.785 ( 3.124 0.737 4.288) 5.356 20.692 ( 1.689 -2.411 -1.192) 3.176 20.959 ( 0.114 4.167 0.651) 4.219 21.365 ( -1.338 -4.201 2.719) 5.180 21.573 ( 0.420 -3.741 -1.410) 4.020 21.864 ( 1.268 1.450 -2.805) 3.403 22.393 ( -2.297 4.381 0.287) 4.955 22.564 ( -2.308 -1.541 2.336) 3.628 23.202 ( 1.207 2.863 3.708) 4.838 25.821 ( -0.346 -0.600 -0.846) 1.093 27.280 ( 13.895 14.940 -10.831) 23.100 28.415 ( 8.696 -9.802 -10.884) 17.034 29.384 ( -7.734 -12.384 -15.388) 21.213 30.218 ( 5.677 4.772 4.038) 8.444 30.345 ( 8.991 -2.862 4.255) 10.350 31.050 ( -9.925 5.716 -8.110) 14.034 31.274 ( -1.966 1.579 -2.497) 3.549 31.351 ( 3.853 -0.521 -2.623) 4.690 31.690 ( -2.095 -5.373 -5.209) 7.771 32.073 ( 1.706 2.168 -1.593) 3.186 32.132 ( 2.372 -2.587 -0.504) 3.546 32.365 ( 0.936 4.784 -8.521) 9.817 32.932 ( -0.951 0.502 -4.609) 4.732 33.064 ( 2.783 -5.089 -4.488) 7.334 33.692 ( 2.657 3.287 -14.548) 15.149 34.889 ( -2.352 -3.868 13.312) 14.061 35.179 ( -3.490 5.016 13.730) 15.028 35.931 ( -2.822 -5.684 11.951) 13.532 36.607 ( 5.123 9.727 2.559) 11.288 37.266 ( 4.713 -3.500 -1.977) 6.195 37.491 ( -14.088 5.652 3.989) 15.695 37.885 ( -10.851 -9.949 10.196) 17.907 38.339 ( 5.257 3.955 3.767) 7.581 ======================= Grid point 79 (42/78) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -16.299 7.346 -12.999) 22.104 1.686 ( 8.478 -3.963 6.336) 11.302 1.842 ( -5.420 -2.470 7.088) 9.258 1.982 ( -1.341 -3.775 10.543) 11.278 2.262 ( -7.040 1.046 7.231) 10.146 2.295 ( 4.061 -4.333 14.274) 15.460 2.533 ( 1.311 2.747 10.528) 10.959 2.700 ( 13.179 -0.278 13.325) 18.743 3.006 ( -4.099 -3.046 2.007) 5.487 3.084 ( -5.747 -1.124 2.420) 6.336 3.249 ( 1.273 -3.131 2.873) 4.436 3.286 ( 2.486 1.622 -12.771) 13.112 3.439 ( -4.232 -3.457 1.939) 5.798 3.611 ( -7.250 -0.481 2.784) 7.781 3.715 ( -2.329 -6.626 2.427) 7.431 3.917 ( 13.581 2.640 -0.338) 13.839 4.065 ( -5.060 4.498 1.342) 6.902 4.084 ( 16.559 -0.945 12.978) 21.059 4.355 ( -9.075 -2.340 -9.007) 12.998 4.542 ( -5.598 4.411 0.699) 7.161 4.633 ( -1.224 3.688 -1.200) 4.067 4.867 ( -1.719 -0.301 0.499) 1.815 5.009 ( -2.216 -7.532 8.162) 11.325 5.245 ( 1.426 -4.427 4.354) 6.371 5.286 ( -1.888 6.264 17.790) 18.955 5.345 ( -1.601 2.669 -5.542) 6.356 5.890 ( -15.633 2.581 2.470) 16.036 6.260 ( -2.746 2.392 -0.500) 3.676 6.370 ( 1.468 3.912 3.436) 5.409 6.489 ( 1.980 -1.336 8.501) 8.830 6.648 ( 6.034 -3.848 4.372) 8.386 6.816 ( 2.876 -1.828 5.266) 6.272 6.908 ( -0.650 -1.728 1.662) 2.484 6.964 ( -4.449 0.395 0.680) 4.518 7.109 ( 12.818 0.812 2.422) 13.071 7.134 ( 4.610 1.302 7.385) 8.802 7.471 ( -2.139 -1.929 0.320) 2.899 7.678 ( -6.507 7.073 0.353) 9.617 8.006 ( -6.913 -7.889 -7.606) 12.957 8.154 ( 2.253 -1.969 2.696) 4.027 8.347 ( 4.443 2.068 -12.313) 13.253 8.620 ( -2.399 2.739 -2.330) 4.322 8.979 ( -2.776 -2.164 2.177) 4.139 9.127 ( 0.251 3.897 5.416) 6.677 9.652 ( -2.842 0.270 3.727) 4.695 9.755 ( 1.411 1.218 0.895) 2.068 9.962 ( -0.495 -4.497 -1.688) 4.829 10.125 ( 3.149 -3.545 -3.215) 5.728 10.186 ( 1.052 3.085 -6.713) 7.462 10.287 ( 1.316 -2.476 -4.490) 5.294 10.552 ( 0.952 -7.258 -6.582) 9.844 11.009 ( 1.471 5.523 -2.732) 6.335 11.865 ( -0.420 2.550 -0.805) 2.707 12.110 ( 0.118 9.586 -1.558) 9.712 12.225 ( -0.649 2.392 0.418) 2.513 12.600 ( -0.465 -9.164 -2.769) 9.584 12.975 ( 4.334 -2.043 0.866) 4.868 13.309 ( -1.542 -6.190 -1.120) 6.477 13.657 ( 0.509 6.452 1.483) 6.640 13.673 ( -2.408 2.299 -2.257) 4.022 14.108 ( -2.635 1.734 -1.012) 3.313 14.355 ( -1.234 0.133 -2.971) 3.220 14.426 ( 3.720 6.880 4.993) 9.279 14.483 ( -1.338 0.214 0.607) 1.485 14.809 ( -2.186 2.899 -4.580) 5.845 14.832 ( 1.576 -4.112 -1.745) 4.737 15.459 ( 0.854 -7.064 -0.277) 7.121 15.506 ( -4.618 1.174 -0.235) 4.771 15.663 ( 4.540 1.456 1.828) 5.107 16.089 ( 11.246 -5.192 -0.317) 12.390 16.348 ( -9.617 3.310 -2.191) 10.404 16.618 ( -3.241 -6.153 -4.913) 8.515 16.904 ( 6.314 7.006 -3.030) 9.906 17.188 ( -0.333 2.120 -1.225) 2.471 17.598 ( -1.889 -1.389 1.535) 2.803 17.799 ( 0.016 0.455 2.705) 2.743 20.761 ( 1.277 -3.909 -0.596) 4.156 20.868 ( -0.706 6.060 -0.327) 6.110 21.424 ( -0.572 -2.732 2.407) 3.686 21.627 ( -0.105 -2.481 -2.439) 3.481 21.853 ( 1.111 0.750 -2.195) 2.572 22.314 ( -1.153 2.114 1.651) 2.919 22.583 ( -1.049 -2.170 3.498) 4.248 23.166 ( 0.080 2.745 2.490) 3.706 25.827 ( -0.082 -0.682 -0.711) 0.988 27.079 ( 3.195 16.383 -9.905) 19.410 28.497 ( 2.298 1.840 -16.008) 16.277 29.581 ( -1.344 -17.191 -16.280) 23.714 30.211 ( 6.328 6.192 3.441) 9.499 30.485 ( 3.652 0.397 5.509) 6.621 30.830 ( -3.764 3.092 -6.938) 8.477 31.252 ( -0.726 -1.231 -4.969) 5.171 31.389 ( 1.040 -0.773 -3.722) 3.941 31.764 ( 0.219 -7.495 -6.690) 10.049 32.005 ( 0.449 6.104 -3.735) 7.170 32.193 ( 1.324 -0.350 -1.052) 1.727 32.301 ( 1.069 2.349 -1.089) 2.801 32.905 ( -0.663 -0.492 -3.844) 3.932 33.190 ( 4.372 -4.959 -7.687) 10.138 33.612 ( 1.307 4.229 -14.631) 15.286 34.979 ( -2.385 -6.533 13.170) 14.894 35.072 ( -3.033 6.694 13.963) 15.779 36.052 ( -0.644 -8.088 11.112) 13.759 36.426 ( -3.575 13.392 7.505) 15.763 37.217 ( -2.770 5.494 5.022) 7.942 37.494 ( 2.130 -7.894 -4.882) 9.523 37.949 ( -6.500 -8.189 11.526) 15.562 38.351 ( 3.336 2.128 3.080) 5.014 ======================= Grid point 80 (43/78) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 4.096 14.408 11.228) 18.720 1.647 ( -9.527 3.758 12.375) 16.063 1.910 ( 9.520 2.483 -2.562) 10.167 2.036 ( -1.041 -1.720 7.261) 7.534 2.235 ( -0.947 0.966 1.370) 1.926 2.377 ( -1.276 6.229 22.907) 23.773 2.636 ( 2.842 -9.140 1.473) 9.684 2.713 ( -6.081 3.389 7.208) 10.021 2.857 ( -6.582 7.707 2.090) 10.349 2.999 ( -4.330 -0.375 9.072) 10.059 3.225 ( -7.057 1.242 -7.583) 10.432 3.302 ( 4.448 1.528 -0.744) 4.762 3.458 ( 1.856 -3.038 4.827) 5.998 3.642 ( -4.735 -5.365 -0.782) 7.198 3.811 ( -6.653 1.374 -0.336) 6.801 3.914 ( -1.803 -3.659 6.892) 8.009 3.939 ( -6.545 1.030 -7.570) 10.060 4.232 ( 0.993 2.144 -2.793) 3.658 4.425 ( 16.029 3.979 -4.317) 17.070 4.491 ( 11.322 -1.246 9.829) 15.045 4.584 ( 4.446 2.533 -1.822) 5.431 4.822 ( -0.033 5.241 1.106) 5.357 5.075 ( -1.403 -1.680 16.612) 16.756 5.208 ( -2.045 2.242 16.841) 17.112 5.282 ( -2.558 -0.099 2.793) 3.789 5.441 ( 5.059 -7.111 -10.162) 13.395 5.739 ( -14.871 -4.545 5.083) 16.359 6.228 ( 0.436 -2.101 2.595) 3.367 6.353 ( -1.106 -1.942 2.722) 3.522 6.599 ( 2.780 -4.747 10.298) 11.675 6.681 ( -8.636 -4.417 -0.974) 9.749 6.819 ( 0.509 1.358 5.332) 5.526 6.900 ( -5.436 -1.430 -2.428) 6.123 6.994 ( -0.716 0.872 7.346) 7.433 7.159 ( 0.843 0.828 4.391) 4.547 7.323 ( 15.071 2.712 1.526) 15.388 7.372 ( -8.574 -2.026 -1.586) 8.951 7.481 ( 1.060 8.168 3.176) 8.828 7.980 ( -9.105 6.706 4.512) 12.175 8.181 ( -0.618 -4.430 -11.359) 12.208 8.327 ( 6.045 -1.364 -13.726) 15.061 8.724 ( 4.617 -8.513 -2.108) 9.911 9.014 ( -3.564 -6.008 5.526) 8.907 9.086 ( -1.170 0.952 3.326) 3.652 9.646 ( -0.618 -0.895 3.097) 3.283 9.767 ( -0.135 -1.388 0.694) 1.558 9.998 ( 1.129 1.298 -4.074) 4.422 10.123 ( 2.649 5.184 -4.177) 7.165 10.176 ( 1.002 -1.600 -3.413) 3.900 10.331 ( 0.381 -1.615 -5.144) 5.405 10.645 ( -3.336 -5.853 -7.530) 10.103 10.951 ( 3.207 2.614 -1.494) 4.399 11.847 ( 0.400 0.511 0.371) 0.748 12.007 ( 3.039 1.556 -0.154) 3.417 12.175 ( 1.037 3.643 -0.353) 3.804 12.693 ( -3.490 -4.349 -4.280) 7.029 13.064 ( 2.014 -0.965 0.595) 2.311 13.380 ( 0.835 -3.690 1.902) 4.234 13.539 ( 1.077 2.503 -2.794) 3.903 13.672 ( 4.400 5.078 2.250) 7.086 14.017 ( -1.828 5.071 2.267) 5.847 14.290 ( -5.568 -3.070 -1.853) 6.623 14.392 ( -1.818 3.219 3.776) 5.285 14.529 ( 10.144 1.472 -0.881) 10.288 14.669 ( 5.064 10.539 -0.745) 11.716 14.919 ( -6.977 -7.557 -5.217) 11.533 15.414 ( -3.670 3.428 -1.202) 5.164 15.573 ( 0.366 -5.454 0.565) 5.495 15.679 ( 5.124 3.840 0.037) 6.404 16.111 ( -11.490 3.838 -1.335) 12.187 16.365 ( 11.899 -5.631 0.509) 13.174 16.656 ( -4.064 -4.578 -5.917) 8.514 16.862 ( 0.505 2.385 -2.940) 3.819 17.162 ( 2.269 1.962 -0.006) 3.000 17.615 ( 1.448 -0.021 4.536) 4.761 17.792 ( -2.785 -1.221 -0.115) 3.043 20.743 ( -0.541 5.905 -0.006) 5.930 20.862 ( 0.356 -5.520 -0.344) 5.542 21.432 ( -0.515 1.607 2.568) 3.073 21.618 ( 1.510 4.072 -2.144) 4.843 21.864 ( -1.076 -2.681 -2.995) 4.161 22.325 ( 0.262 -3.552 2.056) 4.113 22.610 ( -0.774 -1.065 3.306) 3.559 23.143 ( -0.521 0.056 2.163) 2.225 25.835 ( 0.189 -0.174 -0.567) 0.622 26.866 ( 3.630 10.103 -5.141) 11.903 28.395 ( 5.484 11.472 -13.591) 18.612 29.728 ( -4.109 -8.938 -17.191) 19.807 30.167 ( 1.660 5.885 2.522) 6.614 30.392 ( -7.860 3.595 4.666) 9.822 30.928 ( 11.238 -5.712 -3.358) 13.046 31.256 ( -1.327 -2.114 -7.030) 7.460 31.378 ( -1.658 0.277 -2.889) 3.342 31.851 ( -0.005 3.184 -6.513) 7.250 31.953 ( 3.998 -5.167 -5.050) 8.258 32.178 ( -0.496 1.277 -1.682) 2.169 32.280 ( 0.434 1.893 0.559) 2.021 32.921 ( 1.927 -1.263 -4.739) 5.270 33.232 ( -1.855 0.712 -7.673) 7.927 33.574 ( 4.841 -0.442 -14.030) 14.848 34.963 ( -2.769 5.792 13.687) 15.118 35.096 ( -2.489 -7.033 13.139) 15.109 36.169 ( -5.818 8.228 11.319) 15.155 36.233 ( 1.795 -5.727 9.202) 10.986 37.144 ( 3.669 5.561 1.808) 6.903 37.625 ( -1.551 -8.487 -2.077) 8.874 38.045 ( 3.538 -1.643 7.323) 8.297 38.353 ( -6.568 -3.811 2.759) 8.079 ======================= Grid point 81 (44/78) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 24.202 2.119 23.077) 33.508 1.586 ( 2.015 1.926 13.477) 13.763 1.880 ( 1.849 11.428 7.012) 13.534 2.005 ( -1.026 5.784 0.729) 5.919 2.138 ( -4.838 3.474 -3.146) 6.736 2.287 ( -4.525 6.370 18.648) 20.219 2.416 ( -9.008 4.461 1.908) 10.231 2.695 ( -5.815 5.898 6.243) 10.372 2.917 ( -8.643 -10.146 -7.919) 15.504 3.005 ( 1.168 0.340 5.209) 5.349 3.138 ( 1.621 -2.846 2.711) 4.251 3.336 ( 3.975 0.621 -1.463) 4.281 3.484 ( -9.609 -2.865 -2.500) 10.334 3.590 ( -6.173 5.423 8.160) 11.581 3.724 ( -0.556 -2.706 -2.651) 3.829 3.855 ( -4.709 -1.692 -0.588) 5.038 3.973 ( 2.867 1.309 6.580) 7.296 4.206 ( 4.653 1.355 -3.423) 5.933 4.465 ( 4.053 2.100 1.587) 4.833 4.589 ( -6.997 1.051 -0.457) 7.091 4.672 ( 8.548 -4.144 -1.776) 9.663 4.833 ( 10.117 2.564 2.113) 10.649 5.160 ( -1.884 -1.522 12.693) 12.923 5.229 ( 6.780 1.291 14.819) 16.347 5.258 ( 2.068 2.065 5.190) 5.956 5.505 ( -0.938 -1.961 -2.764) 3.517 5.666 ( -4.376 -0.402 4.947) 6.617 6.357 ( 0.938 -6.456 3.005) 7.182 6.412 ( -0.598 -5.901 4.082) 7.200 6.620 ( -12.601 -4.741 -2.992) 13.791 6.715 ( -0.328 -2.192 10.928) 11.150 6.773 ( -15.318 0.509 -1.548) 15.405 6.866 ( 4.816 -1.121 2.599) 5.586 6.957 ( -1.880 0.085 5.095) 5.431 7.098 ( -4.600 2.902 2.262) 5.891 7.268 ( 1.218 10.293 -0.348) 10.370 7.312 ( -6.283 -6.657 1.113) 9.222 7.652 ( 8.503 -1.836 3.367) 9.328 7.713 ( 2.724 11.586 2.230) 12.109 8.224 ( 3.504 -0.435 -12.226) 12.726 8.450 ( 4.986 -7.245 -11.073) 14.141 8.849 ( -3.249 -5.682 -4.110) 7.729 9.004 ( -2.419 2.105 4.028) 5.149 9.187 ( -1.687 -9.845 5.032) 11.185 9.677 ( 1.596 -1.589 1.289) 2.595 9.789 ( -1.671 -1.936 -0.562) 2.619 9.921 ( 2.698 7.258 -4.493) 8.953 10.046 ( -3.069 3.862 -2.823) 5.683 10.213 ( 1.938 -0.979 -1.980) 2.938 10.312 ( -1.544 0.730 -5.318) 5.585 10.600 ( -6.984 -0.244 -10.307) 12.453 11.007 ( 4.169 -2.255 0.153) 4.743 11.869 ( 3.627 -1.206 0.523) 3.857 12.121 ( 2.686 -2.157 2.546) 4.283 12.182 ( 8.710 -3.721 1.784) 9.638 12.615 ( -8.443 2.480 -7.805) 11.763 13.046 ( -4.139 -1.394 -2.425) 4.996 13.347 ( -3.988 9.415 -4.351) 11.112 13.558 ( 3.810 1.255 7.468) 8.477 13.731 ( 13.961 -3.606 1.203) 14.470 14.010 ( 6.913 1.506 6.635) 9.700 14.292 ( -5.489 -2.693 -0.222) 6.118 14.333 ( 0.629 0.965 0.075) 1.155 14.564 ( 5.613 7.814 -0.729) 9.649 14.661 ( 10.704 1.166 1.739) 10.907 14.889 ( -9.270 -3.412 -7.476) 12.388 15.313 ( -2.787 3.562 0.228) 4.529 15.643 ( 1.603 -1.741 -0.627) 2.448 15.677 ( 3.004 2.023 -0.188) 3.627 15.908 ( -12.540 2.252 0.414) 12.747 16.592 ( 9.556 -3.787 -0.349) 10.284 16.639 ( -2.272 -1.230 -5.653) 6.216 16.813 ( -4.527 -0.517 -3.301) 5.626 17.179 ( 3.960 0.999 0.969) 4.197 17.657 ( 4.482 0.551 6.442) 7.867 17.766 ( -5.259 -1.632 -3.477) 6.513 20.665 ( 0.491 3.105 -0.343) 3.162 20.953 ( 0.015 -4.604 0.539) 4.636 21.381 ( -0.981 3.754 3.066) 4.945 21.551 ( 1.714 4.642 -1.465) 5.160 21.884 ( -1.524 -2.200 -3.901) 4.731 22.418 ( 0.422 -5.485 0.820) 5.562 22.607 ( -1.657 0.414 2.014) 2.641 23.162 ( 0.233 -1.499 3.459) 3.777 25.832 ( -0.121 0.382 -0.757) 0.856 26.888 ( 16.078 -0.374 -0.088) 16.083 28.224 ( 8.067 14.736 -6.860) 18.146 29.684 ( -9.284 -0.481 -19.214) 21.344 30.121 ( 0.844 0.729 3.748) 3.910 30.286 ( -4.776 1.600 5.185) 7.228 31.150 ( 10.356 -5.009 -3.020) 11.893 31.249 ( -2.566 -1.818 -7.833) 8.440 31.351 ( -1.267 -0.250 -1.147) 1.727 31.748 ( -0.734 4.945 -4.103) 6.467 32.051 ( -1.486 -1.803 -1.190) 2.622 32.147 ( -1.045 0.788 -2.965) 3.241 32.309 ( 7.229 -2.579 -7.532) 10.754 32.944 ( 1.080 -0.184 -5.866) 5.967 33.128 ( -4.947 3.060 -4.651) 7.448 33.646 ( 6.363 -2.430 -13.562) 15.176 34.885 ( -2.563 3.538 13.385) 14.079 35.196 ( -3.010 -5.065 13.160) 14.419 35.984 ( -5.975 6.336 12.330) 15.095 36.425 ( 6.506 -6.625 6.140) 11.132 37.122 ( 6.153 4.451 -0.539) 7.613 37.730 ( -5.032 -9.288 2.436) 10.841 38.046 ( 2.567 9.002 0.724) 9.389 38.346 ( -11.699 -8.026 3.825) 14.693 ======================= Grid point 83 (45/78) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -11.817 0.000 -16.543) 20.330 1.717 ( 9.125 -0.000 8.950) 12.782 1.818 ( -7.192 0.000 5.763) 9.216 1.863 ( 1.989 -0.000 29.256) 29.323 2.025 ( 8.114 -0.000 -2.418) 8.466 2.387 ( -0.574 0.000 4.403) 4.440 2.393 ( 10.081 -0.000 8.970) 13.494 2.702 ( 6.615 -0.000 6.608) 9.350 2.721 ( -0.071 0.000 18.067) 18.068 3.100 ( -8.712 0.000 1.341) 8.815 3.135 ( -1.494 0.000 -6.307) 6.482 3.287 ( -0.184 0.000 -8.351) 8.353 3.438 ( -7.510 0.000 3.378) 8.235 3.590 ( -2.322 0.000 0.920) 2.497 3.832 ( 11.929 -0.000 23.356) 26.226 3.981 ( -20.834 0.000 -14.556) 25.415 4.009 ( 10.014 -0.000 -2.502) 10.322 4.135 ( 1.539 -0.000 2.633) 3.049 4.243 ( 3.080 -0.000 1.219) 3.313 4.576 ( 1.432 -0.000 -4.317) 4.549 4.684 ( -9.168 0.000 6.910) 11.481 4.793 ( -8.611 0.000 -5.700) 10.327 4.985 ( 3.860 -0.000 7.138) 8.115 5.278 ( -4.353 0.000 14.294) 14.942 5.334 ( -0.039 0.000 -5.808) 5.808 5.388 ( 3.575 -0.000 17.217) 17.584 6.006 ( -18.172 0.000 -2.980) 18.414 6.330 ( -1.551 0.000 8.870) 9.005 6.404 ( 0.055 -0.000 -0.316) 0.320 6.527 ( 4.070 -0.000 2.957) 5.030 6.572 ( -0.683 0.000 -2.847) 2.928 6.742 ( 9.919 -0.000 9.921) 14.029 6.916 ( 0.746 -0.000 1.306) 1.504 6.977 ( 0.694 -0.000 1.884) 2.008 7.156 ( -0.913 0.000 0.680) 1.138 7.250 ( 6.411 -0.000 -5.340) 8.344 7.286 ( 1.543 -0.000 21.597) 21.652 7.656 ( 6.769 -0.000 -1.020) 6.845 8.009 ( -15.522 0.000 -4.143) 16.066 8.172 ( -0.841 0.000 -3.133) 3.244 8.347 ( 8.658 -0.000 -5.954) 10.508 8.766 ( -1.154 0.000 -7.588) 7.675 8.906 ( -5.921 0.000 0.440) 5.937 9.260 ( -0.879 0.000 5.763) 5.830 9.701 ( -2.750 0.000 0.988) 2.922 9.732 ( -5.112 0.000 3.467) 6.177 9.905 ( 5.545 -0.000 -2.373) 6.031 9.986 ( 5.312 -0.000 -1.628) 5.556 10.108 ( -4.822 0.000 -5.680) 7.451 10.327 ( 2.531 -0.000 -3.964) 4.702 10.447 ( 4.360 -0.000 -7.039) 8.280 11.118 ( 1.063 -0.000 -2.265) 2.502 11.976 ( -0.830 0.000 -3.444) 3.543 12.182 ( -0.846 0.000 4.065) 4.152 12.363 ( 2.313 -0.000 -1.395) 2.701 12.452 ( -6.381 0.000 -4.455) 7.782 12.965 ( 7.283 -0.000 1.233) 7.387 13.087 ( -2.266 0.000 -2.932) 3.706 13.623 ( -2.311 0.000 3.191) 3.940 13.969 ( -5.648 0.000 -6.602) 8.689 14.080 ( -4.956 0.000 -1.526) 5.186 14.308 ( -0.066 0.000 -2.898) 2.899 14.453 ( -9.267 0.000 2.293) 9.546 14.540 ( 9.242 -0.000 -3.729) 9.966 14.617 ( 0.927 -0.000 2.581) 2.742 15.039 ( 5.002 -0.000 -4.236) 6.555 15.273 ( 1.081 -0.000 1.857) 2.149 15.512 ( -1.677 0.000 2.388) 2.919 15.687 ( 4.099 -0.000 1.130) 4.252 15.986 ( 11.017 -0.000 1.716) 11.150 16.407 ( -12.601 0.000 -2.198) 12.791 16.509 ( -1.548 0.000 -3.673) 3.986 17.078 ( 8.419 -0.000 -5.167) 9.878 17.231 ( -1.220 0.000 -1.661) 2.061 17.541 ( -4.982 0.000 -1.362) 5.165 17.838 ( 2.256 -0.000 3.862) 4.472 20.690 ( 1.788 -0.000 -2.270) 2.889 20.999 ( 0.218 -0.000 0.843) 0.871 21.311 ( -1.654 0.000 2.860) 3.303 21.542 ( 0.066 -0.000 -1.360) 1.362 21.892 ( 2.315 -0.000 -2.473) 3.388 22.397 ( -3.179 0.000 0.155) 3.183 22.528 ( -1.715 0.000 3.117) 3.558 23.250 ( 0.534 -0.000 3.217) 3.260 25.811 ( -0.132 0.000 -0.541) 0.557 27.524 ( 4.933 -0.000 -23.696) 24.204 28.428 ( 9.768 -0.000 -7.114) 12.084 29.124 ( -6.135 0.000 -7.781) 9.909 30.354 ( 7.852 -0.000 3.942) 8.786 30.470 ( 12.570 -0.000 1.768) 12.694 30.967 ( -8.728 0.000 -10.831) 13.910 31.282 ( -1.694 0.000 0.184) 1.704 31.292 ( -5.393 0.000 -6.489) 8.438 31.628 ( 0.731 -0.000 -3.431) 3.508 32.067 ( -3.059 0.000 -1.764) 3.531 32.188 ( 8.226 -0.000 -0.256) 8.229 32.376 ( -2.157 0.000 -6.948) 7.275 32.985 ( 5.024 -0.000 -10.005) 11.196 33.009 ( 2.331 -0.000 -1.096) 2.576 33.703 ( 0.117 -0.000 -15.144) 15.144 34.858 ( -2.392 0.000 13.188) 13.403 35.214 ( -3.366 0.000 14.603) 14.986 35.887 ( -0.869 0.000 11.507) 11.539 36.736 ( -2.149 0.000 1.794) 2.799 37.268 ( 2.051 -0.000 -2.502) 3.235 37.361 ( -11.909 0.000 6.620) 13.625 37.736 ( -4.838 0.000 11.474) 12.452 38.444 ( 5.241 -0.000 4.386) 6.834 ======================= Grid point 84 (46/78) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 13.094 5.626 1.140) 14.297 1.723 ( -3.573 1.349 12.135) 12.722 1.907 ( 10.214 -1.755 7.597) 12.850 2.006 ( 9.540 3.864 1.839) 10.456 2.079 ( -7.434 -12.242 19.345) 24.070 2.325 ( -2.372 1.520 3.733) 4.676 2.652 ( 3.631 -2.543 10.793) 11.668 2.790 ( 5.567 -3.461 9.323) 11.397 2.880 ( 3.750 -8.916 4.485) 10.662 2.948 ( -14.993 0.580 9.877) 17.963 3.161 ( 0.792 -3.735 -2.813) 4.743 3.244 ( -3.842 -0.553 -11.535) 12.171 3.309 ( -9.420 2.129 -1.258) 9.739 3.578 ( -6.221 -3.385 0.800) 7.127 3.613 ( -9.461 2.990 -6.169) 11.683 3.988 ( -4.034 1.517 -5.948) 7.345 4.032 ( -6.579 -5.653 6.650) 10.930 4.149 ( 0.228 0.884 -0.778) 1.200 4.423 ( 14.091 -0.175 11.662) 18.291 4.541 ( -0.161 1.545 -0.733) 1.718 4.665 ( 1.737 -1.554 -2.570) 3.469 4.783 ( 6.483 -2.251 -3.450) 7.681 5.041 ( 6.718 1.358 11.347) 13.256 5.232 ( -5.383 0.592 14.008) 15.018 5.344 ( 3.238 0.122 -5.578) 6.450 5.436 ( 2.471 4.087 15.028) 15.768 5.753 ( -17.687 4.118 1.929) 18.262 6.301 ( -1.468 6.703 -1.978) 7.141 6.400 ( 2.345 -2.367 7.465) 8.174 6.521 ( -5.115 -1.899 -0.449) 5.475 6.578 ( -1.931 -1.845 1.112) 2.893 6.889 ( -0.875 -1.191 8.390) 8.519 6.912 ( 3.486 2.440 4.147) 5.942 6.950 ( 1.668 3.740 2.974) 5.061 7.158 ( 2.205 -1.642 -0.196) 2.756 7.310 ( 8.238 -0.535 2.736) 8.697 7.400 ( -1.383 -2.515 11.328) 11.686 7.655 ( -16.626 5.628 -2.267) 17.699 7.811 ( 2.198 -5.425 -5.298) 7.895 8.233 ( 9.181 1.732 -0.782) 9.375 8.466 ( 12.387 1.258 -4.762) 13.331 8.649 ( -3.696 6.023 -6.100) 9.335 8.868 ( -7.233 -4.306 -0.829) 8.459 9.204 ( -2.017 5.308 4.757) 7.408 9.640 ( -2.100 1.340 3.462) 4.265 9.740 ( -3.044 -2.683 1.831) 4.452 9.950 ( 5.348 0.472 -2.319) 5.848 10.081 ( -1.801 -4.938 -2.977) 6.041 10.120 ( 3.571 -5.809 -4.956) 8.430 10.324 ( 1.924 2.272 -3.699) 4.748 10.507 ( 5.635 -0.989 -5.624) 8.022 11.087 ( -0.112 3.334 -3.343) 4.723 11.907 ( -1.714 3.588 -2.908) 4.926 12.189 ( -2.378 -0.512 0.763) 2.549 12.247 ( -6.191 7.167 -4.263) 10.386 12.486 ( 4.187 -6.193 0.182) 7.478 13.038 ( 6.291 0.919 1.374) 6.504 13.165 ( 0.356 -7.791 1.040) 7.868 13.618 ( -2.891 -3.459 0.657) 4.556 13.769 ( -5.600 9.027 -6.431) 12.418 14.066 ( -3.846 -3.497 -0.406) 5.214 14.233 ( -9.071 1.401 -1.861) 9.365 14.442 ( -5.377 -7.771 -1.817) 9.623 14.579 ( -0.733 5.028 1.848) 5.406 14.660 ( 6.892 -2.039 -2.644) 7.659 15.020 ( 5.013 6.277 -2.977) 8.567 15.360 ( 2.238 -5.784 1.223) 6.322 15.514 ( 1.186 1.474 1.456) 2.388 15.752 ( 6.727 0.539 1.582) 6.931 16.146 ( 7.117 -1.809 1.040) 7.416 16.243 ( -9.629 -0.639 -0.841) 9.687 16.509 ( -1.170 -2.674 -3.579) 4.618 17.072 ( 2.698 7.093 -6.442) 9.955 17.201 ( -1.022 0.424 -2.271) 2.526 17.520 ( -2.950 -3.115 1.692) 4.612 17.850 ( 1.521 2.201 3.402) 4.328 20.721 ( 1.256 -2.275 -2.470) 3.585 20.957 ( -0.445 5.094 0.493) 5.137 21.348 ( -1.025 -5.024 2.503) 5.706 21.561 ( -0.490 -2.972 -2.015) 3.624 21.902 ( 2.390 1.917 -1.976) 3.646 22.342 ( -1.852 2.494 1.433) 3.421 22.542 ( -0.499 -2.039 3.874) 4.406 23.225 ( -0.706 3.274 2.362) 4.099 25.816 ( 0.245 -0.618 -0.298) 0.728 27.323 ( -3.874 14.051 -20.922) 25.499 28.484 ( 0.968 -2.445 -13.934) 14.180 29.273 ( 5.606 -14.738 -5.352) 16.652 30.421 ( 9.628 5.934 1.169) 11.371 30.533 ( -5.059 3.075 4.648) 7.527 30.868 ( 6.515 1.895 -11.903) 13.701 31.185 ( -6.472 -1.148 -6.117) 8.979 31.312 ( -2.634 -3.417 -1.297) 4.505 31.670 ( 1.944 -4.190 -3.904) 6.048 32.028 ( -2.875 -0.105 -2.685) 3.935 32.254 ( 4.898 2.645 -1.821) 5.857 32.322 ( -1.839 1.194 -2.039) 2.994 32.957 ( 5.604 3.708 -5.859) 8.915 33.134 ( 4.412 -5.445 -7.797) 10.484 33.633 ( -1.612 2.355 -15.092) 15.360 34.893 ( -2.467 -3.887 13.014) 13.804 35.168 ( -2.822 4.891 14.924) 15.956 35.962 ( 0.758 -5.791 10.860) 12.331 36.557 ( -11.110 9.755 8.378) 16.994 37.302 ( 2.309 2.926 2.349) 4.406 37.332 ( -2.671 -7.744 -0.678) 8.220 37.780 ( -1.763 -6.716 9.695) 11.925 38.477 ( 4.173 4.409 4.618) 7.628 ======================= Grid point 85 (47/78) ======================= q-point: (-0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 29.588 13.416 19.692) 37.989 1.665 ( -3.643 4.172 11.082) 12.389 1.990 ( 0.221 -2.361 0.114) 2.374 2.039 ( 1.615 2.059 2.251) 3.452 2.244 ( 3.323 -5.284 8.083) 10.213 2.337 ( -5.233 -8.240 5.256) 11.087 2.571 ( -12.797 8.753 15.685) 22.055 2.708 ( -17.008 8.830 -3.247) 19.437 2.875 ( 2.496 1.069 10.241) 10.595 3.046 ( -3.610 -13.985 6.508) 15.842 3.104 ( 2.237 4.973 -2.435) 5.972 3.218 ( -4.459 -7.277 -6.595) 10.786 3.355 ( 2.147 -4.339 -2.464) 5.432 3.615 ( -1.638 -7.409 1.118) 7.670 3.683 ( 4.364 -6.127 -2.719) 7.999 3.851 ( -7.705 0.209 2.097) 7.988 3.960 ( -5.520 9.117 8.689) 13.750 4.162 ( 0.499 -4.941 -9.117) 10.382 4.513 ( 0.147 -2.604 11.754) 12.040 4.575 ( -2.086 -2.091 -2.658) 3.973 4.693 ( 4.574 2.920 -5.926) 8.035 4.885 ( 2.164 -1.148 3.853) 4.566 5.183 ( 9.172 2.429 11.051) 14.565 5.216 ( 1.209 1.123 1.359) 2.137 5.374 ( 2.786 -0.055 -8.214) 8.674 5.418 ( -2.070 2.276 25.890) 26.073 5.560 ( 1.879 0.487 4.337) 4.751 6.181 ( -2.044 2.473 -0.190) 3.214 6.451 ( 1.618 4.549 2.265) 5.333 6.469 ( -11.317 -3.291 -2.453) 12.038 6.595 ( 2.054 -2.483 9.200) 9.748 6.794 ( -6.596 1.596 3.074) 7.450 6.914 ( 2.670 1.901 0.294) 3.291 7.004 ( -2.337 -0.041 10.708) 10.960 7.188 ( -0.574 1.911 -0.159) 2.001 7.214 ( -12.809 3.874 -0.517) 13.393 7.436 ( 0.507 -2.606 -0.124) 2.658 7.587 ( 4.282 -4.566 8.142) 10.270 7.951 ( 6.038 -5.463 -7.995) 11.411 8.247 ( 3.770 12.530 5.828) 14.324 8.386 ( 3.553 5.198 -18.783) 19.811 8.712 ( 9.093 -3.274 0.981) 9.714 8.860 ( -7.480 -6.362 3.991) 10.599 9.103 ( -3.006 3.423 3.333) 5.645 9.634 ( 0.030 -0.888 3.466) 3.578 9.739 ( -2.113 -0.614 1.873) 2.890 10.008 ( 3.508 -1.065 -3.000) 4.737 10.131 ( -1.616 -5.083 -5.168) 7.427 10.195 ( 0.849 2.058 -3.555) 4.195 10.316 ( 2.606 -0.030 -4.840) 5.497 10.569 ( 3.672 -0.976 -4.807) 6.127 11.008 ( -0.979 3.439 -3.924) 5.309 11.862 ( 0.538 0.214 -0.526) 0.782 12.042 ( -3.905 3.884 -4.040) 6.831 12.200 ( -1.427 -0.955 -0.400) 1.763 12.630 ( 4.185 -2.834 0.027) 5.055 13.081 ( 0.511 1.493 -0.076) 1.580 13.291 ( 0.421 -7.183 3.168) 7.862 13.567 ( -2.931 3.052 -6.096) 7.421 13.707 ( 1.273 -4.809 0.300) 4.983 14.073 ( 0.481 2.425 2.101) 3.245 14.142 ( -5.642 -4.632 -0.737) 7.337 14.416 ( -5.597 2.705 -0.023) 6.216 14.566 ( -2.050 -7.203 -1.911) 7.729 14.733 ( 3.231 -0.110 -1.752) 3.677 14.965 ( 6.402 8.941 -1.263) 11.069 15.453 ( 1.299 1.209 -0.873) 1.977 15.511 ( 2.248 -2.048 1.623) 3.447 15.809 ( 6.777 3.613 0.674) 7.709 16.000 ( -14.448 1.960 -3.611) 15.021 16.406 ( 9.983 -6.870 1.655) 12.231 16.535 ( -1.257 -2.906 -2.890) 4.287 16.935 ( -1.608 7.599 -5.692) 9.630 17.188 ( 0.001 -0.389 -2.015) 2.053 17.566 ( -1.373 -4.616 2.973) 5.660 17.823 ( 1.119 3.772 2.478) 4.650 20.782 ( 0.383 -4.502 -1.593) 4.791 20.846 ( -0.481 6.997 0.290) 7.020 21.420 ( -0.607 -3.062 2.412) 3.945 21.614 ( -0.018 -4.054 -2.731) 4.888 21.874 ( 1.383 3.554 -1.730) 4.188 22.302 ( -0.475 0.561 2.046) 2.174 22.584 ( -0.331 -1.909 4.107) 4.541 23.164 ( -0.973 2.657 1.899) 3.408 25.831 ( 0.486 -0.593 -0.355) 0.845 27.027 ( -2.749 9.203 -12.358) 15.652 28.513 ( 3.208 -1.954 -17.075) 17.483 29.536 ( 6.448 -8.705 -9.296) 14.275 30.299 ( -7.277 8.932 0.150) 11.522 30.419 ( 2.089 6.614 2.622) 7.416 30.994 ( 11.504 -2.858 -4.444) 12.659 31.135 ( -6.776 -4.515 -8.072) 11.465 31.324 ( -1.557 -1.308 -0.790) 2.181 31.793 ( 3.463 -7.692 -6.501) 10.650 31.973 ( -1.575 2.885 -3.532) 4.825 32.226 ( 2.028 3.876 -1.965) 4.796 32.285 ( -2.349 0.369 0.291) 2.395 32.976 ( 6.543 2.018 -6.064) 9.147 33.196 ( -0.621 -0.364 -7.413) 7.448 33.570 ( 1.411 -0.676 -14.749) 14.832 34.976 ( -2.785 -6.030 13.076) 14.666 35.075 ( -2.297 6.324 14.285) 15.790 36.128 ( 2.457 -8.830 9.579) 13.258 36.290 ( -8.953 9.847 11.340) 17.485 37.288 ( 2.813 2.967 0.393) 4.107 37.426 ( -3.213 -7.388 1.068) 8.127 37.940 ( 0.639 -10.511 7.241) 12.779 38.407 ( 0.329 9.023 4.196) 9.956 ======================= Grid point 86 (48/78) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 5.957 13.415 14.398) 20.561 1.781 ( 13.753 3.835 4.603) 15.002 1.942 ( -8.986 0.002 -11.966) 14.964 2.047 ( -2.410 2.584 7.485) 8.277 2.184 ( -2.172 7.176 11.290) 13.553 2.329 ( -7.064 5.827 19.615) 21.647 2.416 ( -6.609 1.015 4.355) 7.979 2.550 ( -8.648 -10.911 3.319) 14.313 2.908 ( 6.818 7.664 3.940) 10.989 3.055 ( 4.956 -0.848 1.984) 5.406 3.167 ( 3.563 0.333 0.348) 3.595 3.310 ( -3.293 -5.662 -4.517) 7.956 3.413 ( 4.039 0.307 -0.864) 4.142 3.613 ( -5.486 6.794 8.846) 12.430 3.762 ( -2.056 4.802 6.577) 8.399 3.808 ( 2.993 -7.740 1.156) 8.379 3.866 ( -2.015 -3.484 5.636) 6.926 4.236 ( -2.792 -3.326 -11.079) 11.900 4.495 ( -5.942 -0.991 2.424) 6.494 4.555 ( 3.053 4.303 -2.721) 5.937 4.726 ( 5.578 -1.775 2.001) 6.186 4.898 ( -3.720 -0.149 4.874) 6.133 5.122 ( -4.932 5.206 -3.376) 7.926 5.227 ( -1.932 -1.415 18.910) 19.061 5.325 ( -8.880 -1.672 -3.383) 9.648 5.446 ( -3.521 -2.543 8.288) 9.357 5.841 ( 29.452 -1.194 11.139) 31.511 6.229 ( -0.653 -7.078 2.359) 7.489 6.360 ( -5.641 -1.963 0.927) 6.045 6.385 ( -5.576 -0.475 -2.850) 6.280 6.645 ( -11.593 3.700 1.822) 12.305 6.727 ( 3.327 -2.112 9.473) 10.260 6.917 ( -4.173 -1.293 7.158) 8.386 6.938 ( 4.801 2.552 0.023) 5.437 7.092 ( -4.011 1.727 3.067) 5.337 7.161 ( -6.264 -1.496 -2.522) 6.916 7.436 ( 2.436 3.812 1.363) 4.725 7.719 ( 2.687 -0.474 4.777) 5.502 7.989 ( 5.631 12.697 4.114) 14.486 8.138 ( 2.542 -7.427 -14.424) 16.422 8.375 ( 1.262 -0.329 -11.075) 11.152 8.764 ( -4.399 -2.207 -1.641) 5.187 8.968 ( 0.521 -4.925 6.418) 8.107 9.072 ( -0.184 -2.800 5.092) 5.815 9.680 ( 2.352 -2.193 1.700) 3.638 9.723 ( -3.121 -0.803 2.097) 3.844 10.016 ( -0.130 2.943 -2.987) 4.195 10.097 ( -0.857 5.628 -2.991) 6.431 10.204 ( 1.075 -4.617 -5.242) 7.068 10.295 ( -0.474 2.853 -6.565) 7.174 10.562 ( 0.056 3.904 -6.620) 7.686 10.992 ( 1.069 -2.947 -2.217) 3.840 11.872 ( 0.735 -1.107 -1.103) 1.727 12.069 ( 2.271 -7.413 1.591) 7.914 12.215 ( 1.639 -1.255 -0.053) 2.065 12.619 ( -0.607 6.195 -3.426) 7.105 12.996 ( -4.657 2.368 -2.695) 5.879 13.366 ( -2.282 0.361 -1.500) 2.754 13.597 ( 3.477 -4.397 1.077) 5.708 13.742 ( -1.195 -1.455 -2.232) 2.920 14.124 ( 8.464 -1.037 5.062) 9.916 14.188 ( -1.429 -5.011 -0.513) 5.236 14.352 ( 0.358 -0.238 2.905) 2.937 14.667 ( -5.523 -7.373 -4.422) 10.218 14.752 ( 3.570 0.108 0.645) 3.629 14.848 ( 3.574 11.593 -2.557) 12.398 15.398 ( 2.475 6.040 -0.425) 6.542 15.592 ( 0.579 -3.532 1.537) 3.895 15.734 ( -8.847 4.148 -0.611) 9.791 15.872 ( 3.623 3.440 -2.666) 5.662 16.531 ( -4.917 -4.005 -4.254) 7.636 16.643 ( 8.483 -3.467 0.816) 9.201 16.790 ( -1.928 3.086 -5.117) 6.279 17.203 ( 0.470 -1.272 -1.265) 1.855 17.635 ( -1.542 -4.258 1.950) 4.931 17.773 ( 1.030 3.773 2.061) 4.421 20.741 ( 0.420 5.131 -0.047) 5.148 20.871 ( 0.403 -5.566 -0.163) 5.583 21.427 ( -0.697 1.828 2.321) 3.036 21.636 ( 0.553 2.324 -2.408) 3.392 21.841 ( 0.493 0.053 -2.265) 2.318 22.331 ( -0.606 -4.024 1.542) 4.352 22.598 ( -1.384 0.199 3.243) 3.531 23.148 ( 0.063 -1.010 2.731) 2.912 25.835 ( -0.039 0.356 -0.858) 0.930 26.984 ( 6.912 -4.585 -5.618) 10.018 28.504 ( 6.339 5.843 -17.797) 19.776 29.615 ( 2.516 4.354 -14.915) 15.740 30.138 ( -2.707 1.204 3.447) 4.545 30.340 ( 2.271 5.760 4.535) 7.675 31.075 ( -8.448 -6.310 -5.717) 11.995 31.212 ( 8.858 -3.715 -5.260) 10.952 31.316 ( -0.375 0.156 -0.791) 0.889 31.824 ( -0.701 5.666 -7.024) 9.052 31.992 ( 1.698 -6.445 -3.650) 7.599 32.171 ( 0.634 3.831 -1.123) 4.042 32.288 ( 0.523 -3.011 -2.415) 3.895 32.980 ( 1.196 2.296 -6.619) 7.107 33.127 ( -0.573 3.710 -4.842) 6.127 33.619 ( 3.839 -4.182 -14.325) 15.408 34.968 ( -2.169 6.021 13.845) 15.253 35.088 ( -3.247 -6.783 12.971) 14.993 36.071 ( -5.452 8.680 12.228) 15.956 36.361 ( 4.575 -10.929 6.356) 13.446 37.275 ( 3.777 3.388 -0.598) 5.109 37.492 ( -6.631 -7.127 2.516) 10.055 38.111 ( -7.644 -6.401 7.029) 12.199 38.235 ( 2.879 8.874 3.418) 9.936 ======================= Grid point 89 (49/78) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 25.753 -0.000 2.685) 25.893 1.764 ( 3.250 -0.000 8.950) 9.522 1.869 ( -4.974 0.000 34.584) 34.939 1.966 ( 1.094 -0.000 0.204) 1.113 2.236 ( -2.172 0.000 -4.219) 4.745 2.300 ( 1.692 -0.000 7.098) 7.297 2.559 ( -4.184 0.000 -9.432) 10.318 2.792 ( -1.835 0.000 5.812) 6.094 2.797 ( -13.132 0.000 12.237) 17.950 2.972 ( 8.535 -0.000 10.562) 13.579 3.110 ( -0.032 0.000 -3.187) 3.188 3.186 ( -0.230 0.000 -13.317) 13.319 3.220 ( -8.246 0.000 4.781) 9.531 3.482 ( -8.340 0.000 -1.576) 8.488 3.499 ( -1.467 0.000 1.124) 1.848 3.867 ( -12.415 0.000 -1.596) 12.518 3.974 ( 1.764 -0.000 3.235) 3.685 4.191 ( 1.837 -0.000 3.190) 3.681 4.483 ( -2.427 0.000 9.158) 9.474 4.511 ( -4.417 0.000 3.558) 5.672 4.661 ( 2.762 -0.000 -8.859) 9.280 4.909 ( 4.772 -0.000 0.040) 4.772 5.176 ( -7.392 0.000 13.222) 15.148 5.271 ( 24.365 -0.000 8.587) 25.834 5.408 ( 5.295 -0.000 -4.842) 7.175 5.450 ( -12.000 0.000 17.370) 21.112 5.682 ( 2.549 -0.000 2.371) 3.481 6.357 ( -8.112 0.000 -3.465) 8.820 6.392 ( 1.268 -0.000 -5.718) 5.857 6.430 ( 2.076 -0.000 8.612) 8.859 6.558 ( -1.048 0.000 4.875) 4.986 6.850 ( -4.193 0.000 6.303) 7.570 6.993 ( -6.252 0.000 0.174) 6.255 7.016 ( 5.213 -0.000 4.029) 6.589 7.134 ( 0.271 -0.000 4.043) 4.052 7.307 ( -3.641 0.000 -3.817) 5.276 7.434 ( -1.938 0.000 16.309) 16.424 7.497 ( -9.633 0.000 1.399) 9.734 7.871 ( 11.249 -0.000 -3.839) 11.886 8.375 ( 12.261 -0.000 -8.568) 14.958 8.624 ( 9.906 -0.000 6.616) 11.912 8.686 ( -8.292 0.000 -5.968) 10.217 8.694 ( -0.045 0.000 -5.266) 5.266 9.244 ( -2.314 0.000 4.693) 5.233 9.663 ( -2.129 0.000 6.210) 6.565 9.670 ( 0.416 -0.000 -0.711) 0.824 9.947 ( -5.787 0.000 -7.159) 9.205 10.027 ( 4.828 -0.000 -3.020) 5.695 10.138 ( 6.946 -0.000 -0.149) 6.947 10.349 ( 0.249 -0.000 -2.933) 2.944 10.582 ( 7.856 -0.000 -3.486) 8.595 11.092 ( -2.078 0.000 -4.613) 5.060 11.900 ( -3.134 0.000 -4.968) 5.874 12.125 ( -4.367 0.000 -0.722) 4.426 12.198 ( -10.183 0.000 -6.930) 12.317 12.530 ( 10.100 -0.000 3.993) 10.861 13.090 ( 2.941 -0.000 4.509) 5.384 13.166 ( 5.772 -0.000 1.625) 5.997 13.514 ( -6.877 0.000 -2.302) 7.252 13.748 ( -8.915 0.000 -12.335) 15.219 13.954 ( -4.116 0.000 2.048) 4.597 14.222 ( -2.868 0.000 0.051) 2.868 14.243 ( -6.613 0.000 -0.290) 6.619 14.602 ( -3.389 0.000 -1.127) 3.572 14.718 ( 3.749 -0.000 -1.663) 4.101 15.112 ( 3.893 -0.000 -2.581) 4.671 15.380 ( 7.374 -0.000 4.335) 8.554 15.553 ( 1.621 -0.000 0.468) 1.688 15.845 ( 7.663 -0.000 -0.837) 7.709 16.058 ( -14.525 0.000 -1.918) 14.651 16.252 ( 7.130 -0.000 1.922) 7.384 16.494 ( 3.694 -0.000 -0.127) 3.696 17.144 ( -0.469 0.000 -7.289) 7.304 17.150 ( -4.370 0.000 -3.714) 5.735 17.473 ( -1.248 0.000 4.161) 4.344 17.897 ( 1.823 -0.000 2.260) 2.903 20.705 ( 0.322 -0.000 -3.260) 3.276 21.006 ( 0.098 -0.000 0.468) 0.479 21.292 ( -0.817 0.000 2.717) 2.837 21.525 ( -0.598 0.000 -2.276) 2.354 21.944 ( 2.381 -0.000 -1.761) 2.961 22.350 ( -0.897 0.000 1.968) 2.163 22.537 ( 0.828 -0.000 4.392) 4.469 23.243 ( -1.889 0.000 1.985) 2.740 25.814 ( 0.495 -0.000 -0.058) 0.499 27.277 ( -12.602 0.000 -26.803) 29.618 28.364 ( -7.716 0.000 -13.655) 15.684 29.325 ( 19.928 -0.000 1.624) 19.995 30.463 ( -12.230 0.000 3.917) 12.842 30.595 ( 9.127 -0.000 -1.114) 9.195 30.962 ( 11.470 -0.000 -14.574) 18.546 31.039 ( -10.822 0.000 -4.539) 11.735 31.288 ( 1.842 -0.000 0.029) 1.843 31.649 ( 1.792 -0.000 -2.179) 2.822 31.975 ( -2.974 0.000 -2.853) 4.121 32.296 ( -2.802 0.000 -1.148) 3.028 32.330 ( 2.870 -0.000 -1.102) 3.074 33.043 ( 4.107 -0.000 -13.792) 14.390 33.142 ( 8.677 -0.000 -3.751) 9.453 33.581 ( -3.781 0.000 -15.103) 15.570 34.861 ( -2.448 0.000 12.942) 13.172 35.215 ( -2.451 0.000 15.490) 15.683 35.948 ( 1.162 -0.000 10.599) 10.662 36.504 ( -13.576 0.000 11.235) 17.622 37.190 ( -7.615 0.000 3.677) 8.456 37.421 ( 10.240 -0.000 -1.986) 10.431 37.746 ( 1.603 -0.000 6.830) 7.016 38.578 ( 3.840 -0.000 5.375) 6.606 ======================= Grid point 90 (50/78) ======================= q-point: (-0.40 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -7.427 0.925 8.036) 10.982 1.890 ( -14.943 -0.836 -10.499) 18.281 1.968 ( -2.497 -12.110 7.163) 14.289 2.030 ( 2.091 6.663 8.751) 11.196 2.194 ( 25.055 1.431 16.390) 29.974 2.325 ( -0.261 2.121 4.842) 5.293 2.462 ( -13.663 -2.125 -0.922) 13.858 2.612 ( -11.866 2.595 -3.848) 12.741 2.816 ( -2.842 -3.591 7.128) 8.473 3.045 ( 2.307 4.464 11.565) 12.609 3.127 ( 4.978 -1.661 -5.241) 7.416 3.232 ( 4.450 3.415 12.708) 13.891 3.269 ( 6.326 -9.135 -2.971) 11.502 3.512 ( -0.325 -0.519 0.381) 0.721 3.554 ( 4.904 -14.587 -1.534) 15.466 3.753 ( -6.003 -1.843 2.042) 6.603 3.991 ( -0.349 1.398 -2.769) 3.122 4.197 ( 0.340 3.476 8.851) 9.515 4.469 ( -6.297 -1.238 0.731) 6.459 4.490 ( -1.107 -2.929 7.503) 8.130 4.698 ( 1.788 -3.095 -8.763) 9.463 4.851 ( -11.245 1.326 5.519) 12.597 5.150 ( -6.047 -2.614 15.543) 16.881 5.288 ( -13.087 0.276 16.577) 21.122 5.417 ( 4.819 4.899 -7.914) 10.482 5.455 ( 5.534 5.104 -5.490) 9.318 5.887 ( 29.547 1.715 12.117) 31.981 6.247 ( -7.904 -1.444 -5.833) 9.929 6.321 ( 0.156 8.532 -1.251) 8.625 6.510 ( 1.008 -0.502 3.775) 3.939 6.591 ( 1.782 -3.393 9.793) 10.517 6.786 ( -6.252 4.071 5.491) 9.264 6.870 ( -7.135 -0.541 0.241) 7.159 7.042 ( 0.864 1.081 6.055) 6.211 7.164 ( -2.611 -0.704 -4.089) 4.902 7.240 ( -5.190 4.442 2.004) 7.120 7.360 ( -1.278 -2.145 5.834) 6.346 7.527 ( 0.234 -2.366 8.794) 9.110 8.002 ( 9.852 -1.359 -5.298) 11.269 8.435 ( 3.915 2.737 -18.389) 18.999 8.483 ( -7.897 4.465 0.157) 9.073 8.695 ( -0.005 2.040 0.734) 2.168 8.830 ( 13.194 -2.307 6.056) 14.700 9.159 ( -2.686 6.548 4.341) 8.302 9.642 ( 0.270 0.681 4.674) 4.731 9.711 ( 0.446 -1.477 0.486) 1.618 9.948 ( -3.129 -8.490 -7.421) 11.702 10.055 ( 2.804 1.165 -3.617) 4.722 10.227 ( 2.488 -0.126 -0.308) 2.510 10.329 ( 0.779 0.080 -3.430) 3.518 10.653 ( 7.735 1.850 -1.702) 8.133 11.018 ( -4.164 2.841 -6.367) 8.121 11.857 ( -0.345 -0.512 -2.568) 2.641 12.021 ( -7.863 3.867 -5.778) 10.496 12.119 ( -2.868 -4.041 -2.679) 5.633 12.687 ( 9.623 -1.715 3.779) 10.480 13.129 ( -0.694 4.533 -0.957) 4.684 13.224 ( 3.467 -4.557 8.095) 9.915 13.500 ( -5.889 -5.226 -5.148) 9.407 13.604 ( -3.944 -1.990 -8.442) 9.528 13.985 ( -2.653 -6.819 1.366) 7.443 14.150 ( 2.049 2.748 1.943) 3.940 14.281 ( -3.570 -5.735 -0.665) 6.788 14.517 ( -3.205 2.967 -0.808) 4.442 14.739 ( -2.009 -1.272 -1.270) 2.696 15.124 ( 3.454 3.629 -0.991) 5.107 15.487 ( 5.457 -0.866 4.610) 7.196 15.548 ( 0.939 1.532 -1.896) 2.612 15.829 ( -14.148 0.071 -4.493) 14.844 15.970 ( 10.289 3.496 -0.411) 10.874 16.333 ( -1.800 -5.579 -1.607) 6.078 16.584 ( 9.527 0.285 3.325) 10.094 17.009 ( -4.250 6.511 -5.523) 9.537 17.140 ( -2.943 -2.274 -3.770) 5.296 17.502 ( -0.152 -2.819 5.018) 5.758 17.897 ( 1.097 2.627 0.728) 2.939 20.717 ( -0.701 -2.614 -2.640) 3.781 20.951 ( -0.062 5.846 0.308) 5.854 21.347 ( 0.035 -5.202 2.892) 5.952 21.540 ( -0.296 -3.230 -2.756) 4.256 21.943 ( 1.479 2.539 -1.931) 3.516 22.333 ( 0.381 2.158 2.416) 3.262 22.572 ( 1.073 -1.181 4.305) 4.591 23.198 ( -1.949 2.579 1.859) 3.729 25.826 ( 0.565 -0.599 -0.181) 0.843 27.010 ( -11.736 4.038 -19.284) 22.933 28.332 ( -5.841 -9.929 -14.262) 18.333 29.601 ( 19.272 -2.544 -3.547) 19.760 30.286 ( -11.048 4.523 3.175) 12.352 30.590 ( 0.970 6.296 -3.188) 7.123 30.942 ( -6.449 -0.954 -3.214) 7.269 31.097 ( 11.528 -3.220 -10.550) 15.955 31.314 ( 1.689 -0.210 -0.643) 1.820 31.714 ( 3.321 -4.964 -2.389) 6.432 31.955 ( -1.122 -0.659 -4.215) 4.411 32.253 ( -2.817 0.724 0.458) 2.945 32.312 ( -0.248 3.156 -1.295) 3.420 33.042 ( 2.356 1.207 -12.247) 12.530 33.220 ( 5.679 1.521 -5.208) 7.854 33.518 ( -0.729 -1.518 -14.799) 14.895 34.892 ( -2.628 -3.635 12.940) 13.695 35.180 ( -2.120 4.913 14.954) 15.882 36.040 ( 0.974 -6.633 10.100) 12.122 36.341 ( -8.573 5.886 12.044) 15.912 37.151 ( -8.756 -5.176 5.525) 11.575 37.518 ( 11.032 3.190 -4.315) 12.268 37.837 ( 2.204 -5.931 5.765) 8.560 38.569 ( 1.530 6.960 5.070) 8.746 ======================= Grid point 91 (51/78) ======================= q-point: (-0.20 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -24.312 -2.217 -16.612) 29.529 1.704 ( -6.038 1.726 2.782) 6.868 1.977 ( -6.289 1.617 8.916) 11.030 2.054 ( -7.928 -0.014 8.535) 11.649 2.255 ( -3.167 0.784 6.430) 7.210 2.326 ( -1.615 2.987 5.742) 6.671 2.459 ( 6.442 -1.014 12.761) 14.331 2.544 ( 14.319 7.428 8.016) 18.013 2.958 ( -1.015 -12.482 7.481) 14.588 3.085 ( 6.763 -2.141 -2.551) 7.539 3.208 ( -2.529 3.097 2.218) 4.572 3.234 ( 4.977 -1.560 3.306) 6.175 3.397 ( -0.451 -3.827 2.259) 4.466 3.618 ( 10.459 -6.866 5.440) 13.643 3.761 ( 3.344 2.119 3.150) 5.059 3.895 ( -1.999 3.861 1.154) 4.498 3.925 ( 7.944 -7.926 -1.367) 11.305 4.078 ( -6.556 5.293 2.909) 8.914 4.423 ( -3.905 -1.541 0.697) 4.255 4.566 ( -1.373 -2.816 -2.485) 3.999 4.635 ( -15.387 -3.684 4.371) 16.414 4.815 ( -0.263 -4.931 -0.566) 4.970 5.162 ( -9.029 0.670 16.457) 18.783 5.194 ( -3.303 -0.919 16.813) 17.159 5.347 ( 4.591 8.585 -9.883) 13.873 5.378 ( -2.358 2.532 -4.887) 5.988 6.026 ( -4.870 4.556 3.900) 7.726 6.203 ( -3.258 -3.749 -0.925) 5.052 6.351 ( 18.136 2.263 8.817) 20.292 6.447 ( 0.482 5.767 2.089) 6.153 6.640 ( -0.494 4.837 3.532) 6.010 6.754 ( 5.239 -3.729 9.221) 11.242 6.876 ( 1.507 -2.387 3.140) 4.222 7.018 ( -5.686 -0.709 -1.377) 5.893 7.070 ( -2.102 7.356 1.414) 7.780 7.126 ( -0.856 1.621 4.962) 5.290 7.460 ( 1.792 -3.757 0.165) 4.166 7.598 ( -5.487 -9.026 3.808) 11.228 8.099 ( 6.113 0.471 -7.008) 9.311 8.268 ( -2.246 9.849 -3.870) 10.818 8.383 ( -4.220 1.731 -11.010) 11.918 8.642 ( -1.546 2.226 0.447) 2.747 8.998 ( 6.415 0.432 5.837) 8.684 9.061 ( -1.300 0.772 4.042) 4.316 9.656 ( -0.943 -0.971 4.682) 4.874 9.728 ( 1.710 0.587 0.091) 1.811 10.034 ( -1.387 0.571 -4.484) 4.728 10.074 ( 1.523 -7.677 -5.554) 9.597 10.174 ( -0.050 4.377 -2.295) 4.942 10.339 ( 1.134 1.746 -5.342) 5.733 10.674 ( 4.385 6.641 -2.539) 8.353 10.934 ( -1.958 -2.322 -5.442) 6.232 11.868 ( -0.837 1.557 -0.690) 1.898 11.959 ( -0.162 -6.992 -2.016) 7.278 12.171 ( -0.251 -4.427 -1.583) 4.708 12.744 ( 2.838 6.254 -1.159) 6.965 13.006 ( -1.853 4.261 -1.149) 4.787 13.349 ( 1.479 -1.441 4.071) 4.565 13.512 ( 0.430 -6.840 -2.181) 7.192 13.675 ( -2.141 -4.930 -3.711) 6.532 14.076 ( -2.243 -6.311 -0.556) 6.720 14.214 ( 8.936 -2.046 4.066) 10.029 14.331 ( 0.331 -3.607 0.477) 3.654 14.494 ( -2.166 -4.018 -0.710) 4.620 14.711 ( -5.356 -2.597 -0.496) 5.973 15.041 ( -0.395 9.008 -2.636) 9.394 15.525 ( 3.281 3.748 1.396) 5.173 15.549 ( -1.563 -1.550 1.197) 2.506 15.653 ( -8.307 0.934 -3.785) 9.176 16.040 ( 11.749 4.778 -1.771) 12.807 16.373 ( -6.358 -5.694 -2.844) 8.996 16.701 ( 6.850 -0.932 0.904) 6.972 16.833 ( -2.865 6.418 -4.484) 8.337 17.155 ( -1.136 -3.098 -1.936) 3.825 17.570 ( 0.268 -3.537 4.478) 5.712 17.843 ( -0.691 3.956 0.093) 4.017 20.763 ( -1.002 -4.428 -0.423) 4.560 20.854 ( 0.619 5.354 -0.544) 5.417 21.424 ( -0.024 -2.413 2.740) 3.651 21.605 ( 0.501 -4.573 -2.890) 5.433 21.890 ( 0.320 4.175 -2.297) 4.776 22.309 ( 0.127 1.343 2.223) 2.600 22.601 ( 0.025 0.082 3.967) 3.968 23.149 ( -0.841 1.085 2.026) 2.447 25.836 ( 0.076 -0.035 -0.759) 0.763 26.894 ( -2.738 -6.089 -9.531) 11.637 28.432 ( -1.422 -10.051 -17.456) 20.193 29.771 ( 10.913 4.857 -13.705) 18.180 30.129 ( -3.900 1.827 4.541) 6.259 30.482 ( 0.118 4.980 2.570) 5.605 30.874 ( -6.438 -1.378 -4.791) 8.143 31.246 ( 6.384 -1.676 -6.842) 9.507 31.340 ( 3.660 -0.805 -2.297) 4.395 31.857 ( 4.649 -5.195 -5.375) 8.803 31.908 ( -1.920 2.115 -5.194) 5.928 32.219 ( -2.650 0.410 0.307) 2.699 32.263 ( 1.094 1.005 0.089) 1.488 32.980 ( -3.042 2.523 -7.887) 8.821 33.219 ( 4.897 3.625 -6.244) 8.724 33.550 ( 2.642 -3.995 -14.631) 15.395 34.970 ( -2.890 -6.026 13.276) 14.863 35.088 ( -2.158 6.973 13.852) 15.657 36.182 ( -3.463 7.950 11.633) 14.509 36.219 ( -0.136 -11.336 8.825) 14.367 37.166 ( -7.092 -6.463 5.996) 11.315 37.551 ( 8.147 5.605 -5.350) 11.243 37.980 ( -0.157 -6.281 7.166) 9.530 38.421 ( -1.161 11.070 4.443) 11.985 ======================= Grid point 95 (52/78) ======================= q-point: (-0.40 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -36.356 0.000 -16.354) 39.864 1.580 ( -9.149 0.000 10.975) 14.288 1.971 ( 4.293 -0.000 11.253) 12.044 2.049 ( 0.832 -0.000 -11.994) 12.023 2.222 ( -20.607 0.000 5.212) 21.256 2.290 ( -10.703 0.000 8.906) 13.924 2.394 ( 1.838 -0.000 2.528) 3.126 2.750 ( -3.638 0.000 7.159) 8.030 2.821 ( 33.463 -0.000 4.107) 33.714 3.093 ( -3.025 0.000 0.046) 3.025 3.198 ( 9.087 -0.000 3.492) 9.735 3.295 ( 8.400 -0.000 4.590) 9.572 3.403 ( 3.075 -0.000 6.988) 7.635 3.467 ( -9.355 0.000 4.231) 10.268 3.516 ( 15.546 -0.000 8.792) 17.860 3.731 ( 8.107 -0.000 1.139) 8.186 3.993 ( -1.952 0.000 -3.900) 4.361 4.242 ( -0.677 0.000 10.518) 10.540 4.381 ( -6.033 0.000 -4.170) 7.334 4.460 ( -2.484 0.000 6.862) 7.297 4.661 ( 0.911 -0.000 -7.616) 7.670 4.670 ( -20.134 0.000 4.512) 20.633 5.088 ( -5.998 0.000 17.944) 18.920 5.218 ( -6.740 0.000 17.657) 18.900 5.486 ( 3.638 -0.000 -9.620) 10.285 5.528 ( -0.552 0.000 -7.963) 7.982 6.080 ( -10.988 0.000 -5.692) 12.375 6.250 ( 17.775 -0.000 12.716) 21.855 6.475 ( 7.628 -0.000 -1.636) 7.801 6.552 ( 4.119 -0.000 5.982) 7.263 6.600 ( 6.296 -0.000 9.682) 11.549 6.779 ( -3.064 0.000 5.296) 6.119 6.794 ( -0.424 0.000 -2.805) 2.837 7.100 ( -9.716 0.000 -1.732) 9.869 7.111 ( -3.874 0.000 3.563) 5.263 7.119 ( 1.910 -0.000 3.256) 3.775 7.399 ( -1.796 0.000 7.608) 7.817 7.555 ( 0.783 -0.000 7.003) 7.047 8.080 ( 7.342 -0.000 -4.352) 8.535 8.258 ( -21.081 0.000 -2.125) 21.188 8.457 ( 1.801 -0.000 -18.407) 18.495 8.889 ( 13.606 -0.000 -4.736) 14.407 8.927 ( 5.833 -0.000 5.796) 8.223 9.226 ( -0.426 0.000 7.737) 7.749 9.673 ( -0.062 0.000 5.532) 5.532 9.717 ( 3.789 -0.000 -2.134) 4.348 9.809 ( -1.353 0.000 -8.960) 9.062 10.089 ( 1.660 -0.000 -3.603) 3.967 10.248 ( 0.162 -0.000 1.523) 1.532 10.325 ( 0.484 -0.000 -2.928) 2.968 10.761 ( 7.941 -0.000 0.124) 7.942 10.967 ( -6.152 0.000 -8.153) 10.214 11.837 ( 0.182 -0.000 -3.400) 3.404 11.972 ( -5.008 0.000 -1.487) 5.224 12.045 ( 0.111 -0.000 -4.667) 4.668 12.792 ( 7.641 -0.000 3.526) 8.416 13.209 ( -1.137 0.000 -0.540) 1.258 13.227 ( 1.956 -0.000 2.800) 3.415 13.321 ( -4.068 0.000 3.342) 5.265 13.517 ( -3.993 0.000 -10.129) 10.888 13.899 ( -2.336 0.000 5.278) 5.772 14.220 ( 6.098 -0.000 -2.201) 6.483 14.241 ( 2.714 -0.000 3.428) 4.373 14.504 ( -2.829 0.000 -1.873) 3.393 14.663 ( -7.396 0.000 -0.727) 7.431 15.174 ( 0.373 -0.000 -0.762) 0.849 15.532 ( -2.432 0.000 5.200) 5.740 15.549 ( -0.154 0.000 -5.072) 5.075 15.684 ( -6.638 0.000 -3.206) 7.372 16.149 ( 14.047 -0.000 -1.729) 14.153 16.235 ( -5.822 0.000 0.404) 5.836 16.712 ( 8.168 -0.000 1.848) 8.374 17.019 ( -3.202 0.000 -3.373) 4.651 17.043 ( -4.665 0.000 -3.670) 5.936 17.497 ( 0.893 -0.000 6.276) 6.339 17.925 ( -0.323 0.000 -1.371) 1.409 20.675 ( -1.422 0.000 -2.539) 2.910 21.008 ( -0.051 0.000 -0.022) 0.055 21.306 ( 0.769 -0.000 3.548) 3.631 21.501 ( -0.294 0.000 -2.721) 2.737 21.971 ( 0.489 -0.000 -2.644) 2.689 22.375 ( 1.989 -0.000 2.708) 3.360 22.588 ( 1.372 -0.000 3.637) 3.887 23.199 ( -2.220 0.000 2.073) 3.038 25.827 ( 0.475 -0.000 -0.150) 0.498 26.836 ( -12.561 0.000 -16.957) 21.102 28.132 ( -5.960 0.000 -7.996) 9.973 29.796 ( 16.011 -0.000 -7.281) 17.588 30.213 ( -8.713 0.000 4.348) 9.738 30.549 ( -10.404 0.000 -2.005) 10.596 30.957 ( 4.339 -0.000 -3.394) 5.508 31.152 ( 9.101 -0.000 -10.971) 14.254 31.335 ( 1.519 -0.000 -1.712) 2.289 31.709 ( 3.023 -0.000 -0.417) 3.052 31.957 ( 5.038 -0.000 -5.340) 7.341 32.231 ( -2.652 0.000 1.139) 2.887 32.301 ( -4.674 0.000 -0.845) 4.750 33.045 ( 1.361 -0.000 -13.925) 13.991 33.269 ( 0.212 -0.000 -5.712) 5.716 33.484 ( 4.733 -0.000 -13.602) 14.402 34.861 ( -2.620 0.000 12.896) 13.159 35.233 ( -2.116 0.000 14.842) 14.992 36.004 ( -1.336 0.000 10.732) 10.815 36.339 ( -4.309 0.000 11.644) 12.415 37.036 ( -5.336 0.000 5.178) 7.435 37.674 ( 11.597 -0.000 -6.116) 13.111 37.823 ( 1.723 -0.000 5.708) 5.963 38.655 ( 0.044 -0.000 3.772) 3.772 ======================= Grid point 96 (53/78) ======================= q-point: (-0.20 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -30.995 -3.309 -8.601) 32.336 1.628 ( -2.757 -7.427 9.861) 12.649 1.875 ( -10.006 2.013 -2.087) 10.418 2.028 ( -1.508 -1.913 8.491) 8.834 2.214 ( -1.569 -6.255 -0.966) 6.521 2.255 ( -4.667 -4.187 14.407) 15.712 2.488 ( 4.083 -6.935 1.770) 8.240 2.760 ( -3.199 -4.859 9.384) 11.041 2.925 ( 4.574 14.691 -0.819) 15.409 3.129 ( 2.541 0.660 2.526) 3.643 3.212 ( -6.528 3.383 6.565) 9.857 3.281 ( -0.410 0.286 3.703) 3.736 3.405 ( 6.364 1.579 5.600) 8.622 3.642 ( 7.295 -13.395 1.458) 15.322 3.785 ( 10.353 -0.962 0.879) 10.435 3.870 ( 10.578 -1.558 3.828) 11.356 3.941 ( -2.149 -1.474 -5.971) 6.515 4.198 ( 2.497 5.856 3.506) 7.268 4.340 ( -9.937 -1.516 -2.791) 10.432 4.415 ( -5.738 -3.425 9.794) 11.857 4.526 ( 2.015 1.088 0.257) 2.304 4.721 ( 0.358 -6.196 -1.854) 6.478 5.085 ( -6.478 -2.261 20.963) 22.057 5.193 ( -4.345 0.435 19.338) 19.825 5.394 ( -3.449 5.894 -10.067) 12.165 5.493 ( 3.175 2.909 -10.959) 11.775 5.948 ( -12.843 -0.281 -1.716) 12.960 6.277 ( 2.425 8.692 6.135) 10.912 6.461 ( -3.892 3.560 5.325) 7.495 6.609 ( 5.623 4.348 10.253) 12.476 6.757 ( 0.705 1.507 4.808) 5.088 6.771 ( 5.079 -3.242 5.317) 8.036 6.936 ( 7.249 0.545 2.946) 7.843 6.966 ( 8.929 -2.223 -5.089) 10.516 7.065 ( -6.494 -0.176 3.580) 7.417 7.190 ( 0.463 -0.470 1.087) 1.271 7.363 ( -2.080 -2.127 4.812) 5.657 7.518 ( -4.446 3.489 2.350) 6.120 8.045 ( -20.115 -6.022 4.909) 21.564 8.178 ( 4.634 -2.964 -11.825) 13.042 8.393 ( 2.117 5.669 -14.520) 15.730 8.854 ( 5.627 11.167 -5.441) 13.637 9.030 ( 0.743 -2.748 2.458) 3.761 9.169 ( 1.266 9.158 7.355) 11.814 9.663 ( -0.409 1.350 3.588) 3.856 9.763 ( 3.283 0.125 -1.246) 3.513 9.893 ( 1.766 -9.665 -8.319) 12.874 10.078 ( 0.691 1.200 -2.738) 3.068 10.217 ( -1.408 2.094 -0.018) 2.524 10.343 ( 0.801 -0.922 -4.374) 4.542 10.821 ( -3.246 6.385 -5.513) 9.039 10.862 ( 3.751 -2.266 -2.644) 5.118 11.847 ( -2.238 -1.793 -2.788) 4.000 11.940 ( 6.083 2.400 3.441) 7.389 12.093 ( 1.490 -4.221 -2.707) 5.231 12.821 ( -2.716 2.370 -3.625) 5.112 13.073 ( 0.540 4.262 0.155) 4.299 13.371 ( 1.289 -1.703 4.081) 4.606 13.423 ( 6.126 -9.677 4.839) 12.433 13.508 ( -1.428 -6.209 -5.820) 8.629 13.939 ( -1.748 -5.362 4.741) 7.368 14.290 ( 4.331 -1.348 3.151) 5.523 14.323 ( 8.475 -0.347 -3.182) 9.059 14.469 ( -0.345 0.632 1.094) 1.309 14.577 ( -8.490 -2.659 -0.988) 8.952 15.111 ( -4.864 4.300 -3.859) 7.552 15.455 ( -8.585 -1.046 0.594) 8.669 15.573 ( 2.275 -2.926 -3.946) 5.413 15.641 ( 1.157 3.330 1.000) 3.664 16.170 ( -6.971 -1.971 0.726) 7.281 16.294 ( 11.900 2.215 -1.772) 12.234 16.747 ( -0.468 0.820 -3.962) 4.073 16.900 ( -1.560 5.754 -1.391) 6.122 17.085 ( 1.047 -4.377 -0.287) 4.510 17.548 ( 1.901 -2.183 6.516) 7.130 17.879 ( -2.555 2.858 -2.410) 4.528 20.679 ( -1.210 -3.174 -1.231) 3.613 20.953 ( -0.034 5.465 0.139) 5.467 21.372 ( 0.466 -4.458 3.518) 5.698 21.528 ( 0.637 -4.034 -2.625) 4.855 21.939 ( -0.890 2.746 -3.438) 4.489 22.375 ( 1.924 3.789 2.392) 4.877 22.611 ( 0.369 -0.302 3.060) 3.097 23.165 ( -1.434 1.565 2.280) 3.115 25.834 ( 0.157 -0.248 -0.513) 0.591 26.735 ( -3.074 -4.600 -7.113) 9.012 28.178 ( -1.248 -12.393 -9.035) 15.388 29.885 ( 3.355 2.123 -15.897) 16.385 30.125 ( -3.352 1.211 4.933) 6.086 30.438 ( -8.741 -1.280 2.994) 9.328 30.939 ( 6.354 6.793 -4.040) 10.141 31.269 ( 5.578 -2.259 -9.227) 11.016 31.341 ( 1.088 -1.245 -1.995) 2.591 31.774 ( 0.526 -5.089 -1.604) 5.362 32.007 ( 8.390 4.633 -8.562) 12.852 32.188 ( -2.680 0.459 1.205) 2.974 32.254 ( -3.243 -1.517 0.429) 3.606 32.985 ( -1.183 3.472 -9.653) 10.327 33.248 ( -1.764 -1.520 -6.921) 7.302 33.537 ( 7.117 -0.063 -13.288) 15.074 34.888 ( -2.740 -3.461 13.113) 13.836 35.196 ( -2.265 5.037 13.941) 14.995 36.060 ( -3.865 -7.173 11.110) 13.777 36.297 ( 0.342 5.213 10.251) 11.505 37.042 ( -1.175 -3.954 3.935) 5.701 37.721 ( 6.260 5.810 -4.590) 9.696 37.922 ( 3.599 -5.752 4.926) 8.385 38.563 ( -4.812 8.589 2.719) 10.213 ======================= Grid point 101 (54/78) ======================= q-point: (-0.20 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 2.101 -0.000 11.306) 11.499 1.542 ( -4.867 0.000 26.040) 26.490 1.850 ( -4.096 0.000 0.316) 4.109 1.895 ( -5.445 0.000 -4.285) 6.928 2.115 ( 0.506 -0.000 -1.616) 1.694 2.236 ( -0.319 0.000 12.179) 12.183 2.432 ( -1.266 0.000 -0.455) 1.345 2.738 ( -5.812 0.000 12.354) 13.653 2.990 ( -4.757 0.000 4.152) 6.314 3.154 ( -7.315 0.000 -13.012) 14.927 3.176 ( -3.622 0.000 5.286) 6.408 3.279 ( 3.446 -0.000 2.155) 4.065 3.557 ( 2.796 -0.000 8.167) 8.632 3.596 ( 0.984 -0.000 5.397) 5.486 3.819 ( -7.081 0.000 -9.527) 11.870 3.846 ( 1.470 -0.000 0.743) 1.647 3.931 ( -1.863 0.000 4.868) 5.212 4.195 ( -4.173 0.000 0.250) 4.181 4.352 ( 8.966 -0.000 -0.871) 9.008 4.531 ( 24.912 -0.000 9.628) 26.708 4.628 ( 7.448 -0.000 1.189) 7.542 4.638 ( -1.012 0.000 -5.401) 5.495 5.058 ( -2.209 0.000 25.244) 25.340 5.191 ( -4.476 0.000 21.423) 21.886 5.372 ( -7.307 0.000 -10.415) 12.722 5.502 ( 2.783 -0.000 -12.121) 12.436 5.785 ( -13.014 0.000 2.609) 13.273 6.390 ( 1.326 -0.000 3.761) 3.988 6.475 ( -2.364 0.000 8.169) 8.505 6.712 ( -1.249 0.000 7.465) 7.569 6.763 ( -2.923 0.000 0.450) 2.957 6.804 ( 6.923 -0.000 5.840) 9.057 6.954 ( -1.685 0.000 6.940) 7.141 6.958 ( -12.100 0.000 0.543) 12.112 7.094 ( 5.359 -0.000 -0.599) 5.392 7.144 ( -0.564 0.000 0.116) 0.576 7.428 ( 9.247 -0.000 -4.936) 10.483 7.541 ( 0.020 -0.000 7.882) 7.882 7.708 ( -19.852 0.000 0.727) 19.865 8.194 ( 4.397 -0.000 -9.334) 10.318 8.467 ( 5.794 -0.000 -11.999) 13.325 8.978 ( -1.154 0.000 4.552) 4.696 8.990 ( -1.909 0.000 -9.198) 9.394 9.290 ( 0.449 -0.000 3.146) 3.178 9.683 ( -0.119 0.000 2.058) 2.061 9.793 ( 1.710 -0.000 -4.642) 4.947 9.815 ( 4.279 -0.000 -3.937) 5.815 10.067 ( -2.725 0.000 -3.392) 4.351 10.218 ( -0.779 0.000 0.824) 1.134 10.326 ( -0.294 0.000 -4.397) 4.407 10.730 ( -8.730 0.000 -11.123) 14.139 10.960 ( 6.724 -0.000 1.536) 6.898 11.834 ( 2.414 -0.000 0.123) 2.418 12.081 ( 3.178 -0.000 -1.628) 3.570 12.100 ( 11.740 -0.000 5.375) 12.912 12.738 ( -10.025 0.000 -8.292) 13.010 13.167 ( -3.476 0.000 -2.438) 4.245 13.192 ( 1.011 -0.000 -0.172) 1.026 13.469 ( 5.159 -0.000 12.295) 13.333 13.564 ( 13.274 -0.000 0.446) 13.282 13.920 ( 2.555 -0.000 7.507) 7.929 14.309 ( 1.270 -0.000 0.160) 1.280 14.421 ( -10.117 0.000 -0.681) 10.139 14.444 ( 8.152 -0.000 -3.569) 8.899 14.518 ( 7.471 -0.000 3.008) 8.054 15.048 ( -9.000 0.000 -7.144) 11.491 15.347 ( -7.071 0.000 0.379) 7.082 15.577 ( 4.573 -0.000 -3.135) 5.544 15.683 ( 0.309 -0.000 1.782) 1.809 16.033 ( -11.586 0.000 1.832) 11.730 16.483 ( 13.902 -0.000 -1.311) 13.964 16.703 ( -4.538 0.000 -5.965) 7.495 16.904 ( -6.123 0.000 -2.669) 6.679 17.095 ( 6.354 -0.000 2.521) 6.836 17.580 ( 3.723 -0.000 7.414) 8.296 17.855 ( -4.366 0.000 -4.194) 6.054 20.640 ( -0.419 0.000 -0.837) 0.936 21.001 ( -0.511 0.000 0.094) 0.519 21.340 ( -0.026 0.000 4.043) 4.043 21.497 ( 1.148 -0.000 -2.060) 2.358 21.936 ( -1.879 0.000 -4.320) 4.711 22.448 ( 2.510 -0.000 1.417) 2.882 22.612 ( -0.651 0.000 1.932) 2.039 23.170 ( -0.862 0.000 3.157) 3.272 25.831 ( -0.028 0.000 -0.571) 0.571 26.712 ( 8.559 -0.000 0.128) 8.560 28.046 ( 1.270 -0.000 -2.845) 3.115 29.842 ( -6.315 0.000 -19.006) 20.028 30.110 ( -1.795 0.000 4.417) 4.768 30.338 ( -7.238 0.000 4.386) 8.463 31.095 ( 8.914 -0.000 -3.264) 9.492 31.284 ( 3.783 -0.000 -9.023) 9.784 31.331 ( 0.459 -0.000 -1.541) 1.608 31.725 ( -0.784 0.000 -1.881) 2.038 32.137 ( 1.435 -0.000 -5.286) 5.478 32.137 ( -4.784 0.000 -1.790) 5.108 32.230 ( 8.011 -0.000 -2.641) 8.435 32.985 ( -1.322 0.000 -10.021) 10.107 33.163 ( -4.705 0.000 -4.469) 6.489 33.609 ( 8.100 -0.000 -12.903) 15.235 34.857 ( -2.693 0.000 13.111) 13.385 35.243 ( -2.616 0.000 13.627) 13.876 35.969 ( -5.504 0.000 12.038) 13.237 36.394 ( 4.597 -0.000 8.023) 9.246 37.027 ( 3.063 -0.000 1.582) 3.447 37.861 ( -1.420 0.000 7.686) 7.816 37.885 ( 7.802 -0.000 -6.989) 10.475 38.555 ( -10.167 0.000 0.692) 10.191 ======================= Grid point 102 (55/78) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 2.763 -0.000 -4.076) 4.924 1.629 ( -21.377 0.000 -8.945) 23.173 1.847 ( 7.579 -0.000 -9.640) 12.263 1.936 ( 8.093 -0.000 12.874) 15.206 2.125 ( -3.621 0.000 3.237) 4.857 2.388 ( 3.692 -0.000 -0.051) 3.692 2.543 ( 1.903 -0.000 26.291) 26.360 2.663 ( 2.850 -0.000 1.770) 3.355 2.991 ( 3.820 -0.000 12.985) 13.535 3.001 ( -1.965 0.000 -7.209) 7.472 3.063 ( -2.045 0.000 -7.275) 7.557 3.225 ( -7.789 0.000 -3.998) 8.755 3.563 ( 3.109 -0.000 9.408) 9.908 3.755 ( 2.856 -0.000 3.738) 4.704 3.802 ( -2.023 0.000 8.709) 8.941 4.003 ( 4.472 -0.000 -8.226) 9.363 4.073 ( 3.515 -0.000 11.463) 11.990 4.133 ( -11.050 0.000 -14.679) 18.373 4.299 ( -3.369 0.000 8.036) 8.714 4.555 ( -0.681 0.000 -0.321) 0.753 4.771 ( 9.527 -0.000 -5.122) 10.817 4.925 ( -7.810 0.000 -6.601) 10.226 4.973 ( 1.851 -0.000 4.349) 4.727 5.188 ( -1.634 0.000 -5.961) 6.181 5.621 ( 0.023 -0.000 12.205) 12.205 5.768 ( -9.536 0.000 9.595) 13.527 6.139 ( 27.839 -0.000 19.642) 34.071 6.282 ( -7.632 0.000 -3.644) 8.458 6.478 ( -1.515 0.000 2.883) 3.257 6.556 ( -8.822 0.000 1.836) 9.011 6.588 ( -8.841 0.000 -3.209) 9.405 6.761 ( -8.372 0.000 -4.756) 9.629 6.943 ( 2.074 -0.000 3.443) 4.019 6.965 ( 2.813 -0.000 0.952) 2.970 7.120 ( -1.049 0.000 -2.001) 2.259 7.147 ( -1.132 0.000 -0.468) 1.225 7.536 ( 2.106 -0.000 -0.580) 2.185 7.559 ( 0.182 -0.000 9.774) 9.776 7.870 ( 10.200 -0.000 0.007) 10.200 8.100 ( 3.105 -0.000 -4.648) 5.590 8.261 ( -6.102 0.000 -10.840) 12.439 8.835 ( -1.684 0.000 2.285) 2.838 9.015 ( -1.581 0.000 0.348) 1.619 9.346 ( -0.242 0.000 3.741) 3.749 9.735 ( 2.433 -0.000 -0.432) 2.471 9.791 ( -1.301 0.000 1.337) 1.866 9.862 ( 4.673 -0.000 1.265) 4.842 9.910 ( -3.872 0.000 -0.934) 3.983 10.113 ( -3.519 0.000 -6.738) 7.601 10.226 ( 1.102 -0.000 -1.860) 2.162 10.307 ( -3.231 0.000 -7.983) 8.612 11.068 ( 1.632 -0.000 -0.121) 1.636 11.932 ( 1.842 -0.000 -0.883) 2.043 12.234 ( 2.463 -0.000 4.808) 5.402 12.330 ( -3.840 0.000 -4.597) 5.989 12.434 ( 6.613 -0.000 1.683) 6.824 12.923 ( -5.269 0.000 -2.482) 5.825 13.091 ( -3.185 0.000 -4.067) 5.165 13.692 ( 0.156 -0.000 1.329) 1.338 13.938 ( 5.593 -0.000 -1.926) 5.915 14.114 ( 1.284 -0.000 0.502) 1.379 14.247 ( -0.627 0.000 -0.044) 0.629 14.329 ( 3.174 -0.000 -1.907) 3.703 14.573 ( 0.269 -0.000 2.789) 2.802 14.693 ( -2.606 0.000 -0.760) 2.714 14.880 ( 7.401 -0.000 2.839) 7.927 15.291 ( -0.337 0.000 1.408) 1.448 15.630 ( -2.206 0.000 -1.226) 2.524 15.674 ( -1.370 0.000 0.304) 1.403 15.811 ( -0.876 0.000 1.192) 1.480 16.499 ( -1.944 0.000 -3.581) 4.075 16.640 ( -6.543 0.000 0.315) 6.551 16.784 ( 8.539 -0.000 -3.628) 9.278 17.216 ( 1.299 -0.000 -0.287) 1.330 17.634 ( -4.264 0.000 -1.898) 4.667 17.817 ( 2.896 -0.000 3.052) 4.208 20.641 ( 0.687 -0.000 -0.401) 0.795 21.006 ( 0.042 -0.000 0.545) 0.547 21.387 ( -1.300 0.000 1.657) 2.106 21.513 ( 1.287 -0.000 -0.488) 1.376 21.827 ( 0.049 -0.000 -1.678) 1.679 22.446 ( -1.224 0.000 -0.970) 1.562 22.603 ( -1.564 0.000 1.037) 1.876 23.270 ( 1.176 -0.000 2.626) 2.877 25.807 ( -0.296 0.000 -0.600) 0.669 27.091 ( 11.595 -0.000 -3.376) 12.076 28.171 ( 6.817 -0.000 0.646) 6.848 29.174 ( -9.120 0.000 -11.500) 14.677 30.230 ( 4.780 -0.000 1.537) 5.021 30.349 ( -0.934 0.000 4.415) 4.513 31.072 ( -4.427 0.000 -4.412) 6.251 31.203 ( 4.317 -0.000 -4.407) 6.169 31.347 ( -0.949 0.000 -0.069) 0.952 31.594 ( -1.867 0.000 -3.221) 3.722 32.047 ( 1.203 -0.000 0.309) 1.242 32.073 ( 0.640 -0.000 -3.134) 3.199 32.248 ( 1.814 -0.000 -3.407) 3.860 32.849 ( 0.687 -0.000 -2.854) 2.936 33.037 ( -2.354 0.000 1.084) 2.592 33.453 ( 3.254 -0.000 -10.748) 11.229 35.069 ( -1.448 0.000 7.730) 7.865 35.453 ( -1.910 0.000 8.116) 8.338 36.076 ( -2.901 0.000 5.999) 6.663 36.631 ( 4.699 -0.000 1.179) 4.845 37.118 ( 3.867 -0.000 -1.437) 4.125 37.767 ( -7.491 0.000 -1.714) 7.685 37.992 ( -2.617 0.000 6.297) 6.820 38.412 ( -1.017 0.000 2.641) 2.830 ======================= Grid point 103 (56/78) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -11.528 5.087 -6.672) 14.258 1.552 ( 8.468 -4.311 3.823) 10.242 1.973 ( -6.427 -1.891 6.863) 9.591 2.087 ( -0.699 -2.720 3.710) 4.653 2.181 ( 11.717 -14.904 -5.959) 19.872 2.408 ( -0.411 -0.387 -3.752) 3.794 2.683 ( 2.244 -5.322 17.033) 17.986 2.848 ( 11.029 -4.871 5.944) 13.443 2.902 ( 3.024 7.239 -1.152) 7.929 3.038 ( -2.926 -4.336 4.328) 6.789 3.118 ( -1.171 -2.877 1.726) 3.553 3.223 ( -3.138 -10.770 0.610) 11.234 3.565 ( -3.161 2.911 6.738) 7.991 3.701 ( -3.143 3.746 -0.117) 4.891 3.828 ( 4.280 4.155 1.714) 6.207 3.876 ( -6.306 5.794 -3.328) 9.188 4.067 ( 1.962 -1.776 -10.206) 10.544 4.144 ( 4.667 0.128 7.541) 8.869 4.279 ( -4.111 -1.475 4.536) 6.297 4.565 ( -3.357 -1.095 -0.454) 3.560 4.747 ( -9.482 0.159 -6.152) 11.304 4.903 ( 8.302 2.824 1.746) 8.941 4.948 ( -8.016 -2.578 1.872) 8.626 5.164 ( 2.016 0.904 -5.931) 6.329 5.623 ( -0.609 2.900 10.743) 11.144 5.655 ( -9.811 1.514 9.887) 14.010 6.193 ( -8.809 0.257 6.598) 11.009 6.349 ( -5.944 7.643 0.546) 9.697 6.474 ( -0.398 2.179 1.682) 2.782 6.536 ( 13.325 -2.888 9.355) 16.536 6.554 ( 10.996 -1.859 4.951) 12.202 6.734 ( -3.033 -4.341 -5.430) 7.585 6.950 ( 1.129 4.122 0.310) 4.285 7.004 ( 5.335 -2.040 3.406) 6.650 7.072 ( -1.553 3.427 -1.876) 4.204 7.152 ( 0.233 -1.605 -0.826) 1.820 7.529 ( 2.701 1.195 5.477) 6.223 7.676 ( 0.816 -6.633 0.930) 6.747 7.966 ( -0.810 0.006 -4.867) 4.934 8.016 ( 1.022 7.923 -7.486) 10.948 8.209 ( 0.814 -2.921 -3.192) 4.403 8.767 ( -6.630 3.262 2.474) 7.792 9.004 ( -3.409 -2.361 0.715) 4.208 9.297 ( -0.369 5.550 3.608) 6.630 9.747 ( 1.327 1.344 0.842) 2.068 9.762 ( -0.589 1.132 0.713) 1.461 9.903 ( -3.654 -4.078 0.179) 5.478 9.977 ( 4.608 -4.835 1.305) 6.806 10.076 ( -2.994 -2.318 -6.869) 7.843 10.214 ( 2.417 2.997 -2.505) 4.593 10.322 ( 1.974 -4.441 -5.348) 7.227 11.045 ( 0.569 4.026 -1.193) 4.238 11.898 ( -0.341 3.560 -1.527) 3.888 12.242 ( -0.537 4.644 0.799) 4.743 12.290 ( -0.134 3.432 0.046) 3.435 12.442 ( -0.755 -3.588 -1.857) 4.110 12.922 ( 3.383 -1.022 1.040) 3.684 13.155 ( -0.689 -9.467 -1.883) 9.677 13.690 ( -1.926 -0.814 0.348) 2.119 13.801 ( -2.066 11.130 -3.114) 11.741 14.128 ( -1.924 -0.119 -0.840) 2.103 14.283 ( 4.643 -0.026 -0.820) 4.715 14.462 ( -1.775 -7.858 -3.352) 8.726 14.570 ( 1.814 0.769 3.808) 4.288 14.649 ( -3.180 -1.175 -0.270) 3.401 14.895 ( 1.235 4.965 -1.273) 5.272 15.344 ( 0.702 -5.485 0.914) 5.605 15.586 ( -5.764 -0.529 0.797) 5.842 15.675 ( 2.478 0.198 1.850) 3.099 15.892 ( 10.778 -1.287 0.254) 10.857 16.451 ( -3.897 2.295 -2.001) 4.945 16.553 ( -7.660 -2.380 -0.189) 8.024 16.847 ( 8.038 3.836 -4.170) 9.834 17.205 ( -0.686 1.508 -1.021) 1.946 17.607 ( -2.558 -1.989 0.611) 3.297 17.843 ( 1.857 1.062 1.405) 2.560 20.674 ( 0.724 -3.068 -0.627) 3.214 20.970 ( -0.052 4.565 0.364) 4.580 21.407 ( -1.074 -3.485 1.552) 3.963 21.548 ( -0.082 -3.009 -1.074) 3.196 21.823 ( 1.466 1.071 -1.350) 2.262 22.396 ( -1.424 3.205 0.165) 3.511 22.607 ( -0.976 -1.899 1.873) 2.840 23.256 ( 0.406 3.264 1.646) 3.678 25.808 ( -0.034 -0.490 -0.393) 0.629 27.086 ( 3.409 9.282 -8.298) 12.908 28.261 ( 3.816 -1.490 -5.607) 6.944 29.170 ( -2.301 -10.623 -5.823) 12.331 30.275 ( 5.911 3.414 1.101) 6.914 30.409 ( 5.330 -3.660 2.426) 6.906 30.951 ( -9.605 4.568 -1.511) 10.743 31.181 ( -0.603 2.592 -6.102) 6.657 31.325 ( 0.224 -0.146 -0.351) 0.441 31.611 ( -0.928 -3.758 -2.359) 4.533 32.022 ( 0.217 4.018 -2.933) 4.979 32.122 ( 3.447 -2.674 -0.435) 4.384 32.266 ( 1.653 -0.455 -2.352) 2.911 32.856 ( -0.255 -0.811 -2.816) 2.942 33.033 ( -0.277 -1.815 0.827) 2.014 33.431 ( 1.565 2.979 -10.971) 11.476 35.102 ( -1.444 -3.924 7.692) 8.755 35.403 ( -1.729 5.351 8.259) 9.992 36.111 ( -2.002 -5.654 6.508) 8.850 36.621 ( 3.581 7.208 -0.804) 8.089 37.211 ( 4.895 -5.044 -3.046) 7.660 37.566 ( -11.166 6.927 3.581) 13.620 38.055 ( -6.213 -8.945 6.506) 12.687 38.406 ( 5.332 4.420 2.674) 7.424 ======================= Grid point 104 (57/78) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 6.144 3.920 9.684) 12.120 1.791 ( 13.067 -2.272 5.113) 14.214 1.964 ( -8.482 -7.452 4.382) 12.111 2.114 ( -1.986 -1.572 3.975) 4.714 2.336 ( -1.032 3.087 -1.491) 3.580 2.479 ( 9.199 1.745 3.792) 10.101 2.757 ( -0.817 0.759 -3.056) 3.253 2.808 ( -6.294 -4.771 -0.121) 7.899 3.005 ( 1.021 3.479 -0.453) 3.654 3.089 ( -3.680 -1.014 3.611) 5.254 3.146 ( 5.221 -2.510 5.411) 7.927 3.331 ( -1.722 -1.126 6.285) 6.613 3.541 ( -6.509 -8.963 -0.532) 11.090 3.629 ( -6.835 4.493 6.181) 10.253 3.710 ( -1.499 -9.530 -2.675) 10.011 3.934 ( 0.468 -0.076 2.399) 2.445 4.030 ( 2.843 1.914 -9.093) 9.717 4.227 ( -5.232 2.846 1.640) 6.177 4.258 ( 11.463 0.897 1.782) 11.635 4.480 ( -1.468 6.772 -3.215) 7.639 4.655 ( -4.024 -2.647 1.866) 5.165 4.920 ( -4.814 -3.281 2.566) 6.366 4.997 ( 6.174 -1.840 -1.094) 6.535 5.169 ( 1.075 -0.529 -6.535) 6.644 5.526 ( -4.882 4.329 9.139) 11.229 5.587 ( -0.054 3.383 11.259) 11.757 6.076 ( -9.720 2.338 16.314) 19.133 6.233 ( -3.404 -0.801 -0.996) 3.636 6.423 ( 2.953 6.470 1.177) 7.208 6.616 ( 1.651 -4.911 1.759) 5.471 6.701 ( -9.136 -4.613 -2.170) 10.462 6.844 ( 9.836 0.830 2.803) 10.261 6.894 ( -0.975 2.112 -1.167) 2.602 7.033 ( 4.470 0.631 4.130) 6.118 7.161 ( 8.440 -2.869 3.788) 9.686 7.195 ( 5.843 -1.769 -2.925) 6.769 7.537 ( 2.540 5.951 5.402) 8.429 7.678 ( -8.723 6.278 0.311) 10.751 7.840 ( -4.300 -9.758 -7.263) 12.902 8.047 ( 3.718 0.693 -8.400) 9.212 8.258 ( 0.297 0.655 -0.483) 0.866 8.637 ( -3.241 1.990 2.502) 4.552 9.023 ( -2.515 -4.320 2.268) 5.489 9.202 ( -1.790 4.740 1.631) 5.323 9.721 ( -3.088 -0.116 2.990) 4.300 9.767 ( 3.035 1.425 0.236) 3.361 9.934 ( -1.351 -2.852 -0.899) 3.282 10.064 ( 2.117 -1.176 -3.205) 4.017 10.096 ( 1.826 -0.305 -1.624) 2.463 10.201 ( 1.638 -0.456 -4.050) 4.392 10.439 ( 1.302 -7.219 -4.106) 8.406 10.966 ( 0.752 5.150 -1.652) 5.461 11.850 ( -0.124 0.783 -0.692) 1.052 12.066 ( -2.225 8.983 -2.200) 9.512 12.241 ( -1.115 2.968 0.407) 3.197 12.561 ( 1.101 -7.669 -0.919) 7.802 13.011 ( 5.562 -2.180 2.230) 6.376 13.307 ( 1.269 -7.246 1.200) 7.454 13.580 ( -4.488 6.978 -4.201) 9.299 13.703 ( 0.179 0.163 0.606) 0.652 14.093 ( -0.959 1.631 -0.285) 1.913 14.296 ( -2.881 0.621 -2.564) 3.906 14.458 ( 2.261 0.504 -0.357) 2.344 14.548 ( 0.312 4.539 4.302) 6.261 14.717 ( -7.179 -5.330 -4.332) 9.936 14.814 ( 3.655 2.592 -0.634) 4.525 15.444 ( -1.044 -4.196 -1.362) 4.533 15.528 ( -2.860 -0.458 2.005) 3.523 15.703 ( 4.217 2.683 1.919) 5.354 16.080 ( 11.926 -3.477 -0.611) 12.437 16.323 ( -7.611 2.577 0.074) 8.036 16.548 ( -3.762 -4.202 -2.389) 6.125 16.842 ( 3.790 3.746 -2.802) 6.021 17.166 ( -0.267 1.625 -0.959) 1.905 17.633 ( -0.921 -2.989 1.985) 3.705 17.832 ( 0.344 2.070 0.481) 2.153 20.752 ( 0.675 -5.549 -0.273) 5.596 20.867 ( -0.641 7.032 0.068) 7.061 21.459 ( -0.373 -2.548 1.170) 2.829 21.586 ( -0.282 -1.909 -1.590) 2.501 21.820 ( 1.033 0.816 -1.179) 1.767 22.339 ( -0.652 1.568 0.945) 1.943 22.642 ( -0.311 -2.185 2.367) 3.236 23.202 ( -0.306 3.010 1.043) 3.200 25.818 ( 0.250 -0.545 -0.234) 0.644 26.908 ( -0.351 9.956 -7.027) 12.191 28.269 ( 1.767 2.050 -7.639) 8.104 29.347 ( 0.127 -11.185 -7.151) 13.276 30.273 ( 3.616 4.277 2.254) 6.037 30.568 ( 7.177 -2.720 1.874) 7.901 30.735 ( -8.467 3.558 -1.356) 9.284 31.133 ( -1.008 0.197 -6.336) 6.419 31.341 ( 0.758 -0.439 -1.217) 1.499 31.673 ( 0.186 -5.160 -2.540) 5.754 31.932 ( 0.042 5.518 -3.208) 6.382 32.180 ( 0.692 -0.899 -0.317) 1.178 32.294 ( 1.624 -0.374 -0.071) 1.668 32.850 ( -0.290 -0.009 -1.800) 1.824 33.094 ( 1.692 -3.740 -2.021) 4.576 33.358 ( 0.710 3.667 -10.369) 11.021 35.190 ( -1.580 -6.589 7.609) 10.189 35.297 ( -1.460 7.133 8.214) 10.976 36.223 ( -0.804 -7.785 6.476) 10.159 36.495 ( 0.070 10.184 0.292) 10.189 37.313 ( -2.040 2.975 3.358) 4.928 37.407 ( 0.180 -3.712 -2.759) 4.629 38.131 ( -4.998 -6.627 6.636) 10.627 38.406 ( 3.808 3.079 2.170) 5.356 ======================= Grid point 105 (58/78) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 21.430 4.799 22.849) 31.691 1.823 ( -14.960 6.798 2.336) 16.597 1.899 ( 4.142 4.675 1.225) 6.365 2.114 ( -1.196 -1.702 2.249) 3.064 2.287 ( 3.015 5.495 2.266) 6.665 2.505 ( 3.381 5.617 -11.016) 12.819 2.708 ( -4.091 -1.232 0.047) 4.273 2.753 ( -10.554 2.822 2.247) 11.153 2.899 ( -1.548 -0.881 4.815) 5.133 3.086 ( -2.604 0.641 0.228) 2.692 3.201 ( -3.181 0.326 11.084) 11.536 3.369 ( 2.014 -0.022 6.102) 6.426 3.529 ( -8.973 -2.213 -1.182) 9.317 3.601 ( 4.439 -0.995 -0.474) 4.574 3.816 ( -2.736 -4.355 -2.996) 5.952 3.920 ( -2.892 0.720 6.389) 7.050 4.056 ( -2.745 -5.445 -11.310) 12.849 4.134 ( 0.569 2.746 9.943) 10.331 4.337 ( -0.391 3.582 -1.843) 4.048 4.430 ( 18.374 1.928 -4.863) 19.104 4.679 ( -2.204 -1.039 -0.279) 2.453 4.870 ( 3.840 6.734 4.016) 8.730 5.068 ( -1.963 -3.035 -3.894) 5.313 5.213 ( 1.976 -3.020 -8.991) 9.689 5.527 ( 2.170 -2.562 9.891) 10.445 5.581 ( 4.143 2.525 13.253) 14.113 5.996 ( -9.058 -0.353 19.770) 21.749 6.256 ( -0.351 -4.889 0.403) 4.918 6.394 ( -0.716 -2.478 1.138) 2.819 6.637 ( -11.660 -4.668 -3.078) 12.931 6.723 ( 3.148 -3.831 -1.048) 5.068 6.845 ( -4.053 0.439 -1.744) 4.434 6.876 ( 1.050 0.714 3.798) 4.005 7.107 ( 3.396 -0.029 1.623) 3.764 7.192 ( -2.349 0.583 -1.945) 3.105 7.304 ( -7.579 1.094 -3.295) 8.336 7.403 ( 4.988 5.377 7.717) 10.646 7.601 ( 8.049 3.875 6.285) 10.922 7.945 ( -4.496 8.454 -8.368) 12.717 7.956 ( -2.311 -8.805 -6.497) 11.185 8.240 ( 0.392 -1.638 1.328) 2.145 8.682 ( 5.002 -3.182 -1.289) 6.067 9.095 ( -1.984 -1.893 1.488) 3.120 9.138 ( -0.445 -3.480 2.393) 4.246 9.699 ( -2.156 -0.332 2.542) 3.350 9.781 ( 1.693 0.491 0.501) 1.833 9.933 ( 2.007 3.578 -1.495) 4.367 10.063 ( 1.762 4.702 -2.644) 5.675 10.117 ( 0.432 -4.010 -2.186) 4.588 10.225 ( -1.283 -1.780 -5.242) 5.683 10.500 ( -3.457 -1.724 -6.415) 7.489 10.937 ( 2.488 -0.631 -0.138) 2.571 11.843 ( 0.366 1.041 -0.411) 1.178 12.014 ( 3.745 -3.854 0.741) 5.425 12.191 ( 1.767 3.082 1.715) 3.945 12.616 ( -3.458 0.217 -3.365) 4.830 13.065 ( -1.750 0.733 -0.497) 1.961 13.404 ( -0.694 -1.245 -0.067) 1.427 13.481 ( 2.687 -0.859 -1.654) 3.270 13.706 ( 3.279 2.260 0.555) 4.021 14.066 ( 1.663 1.460 2.437) 3.292 14.258 ( -3.215 -2.709 -1.147) 4.358 14.440 ( -5.323 1.835 0.759) 5.681 14.550 ( 11.140 3.458 3.442) 12.161 14.659 ( 3.498 4.307 -0.899) 5.621 14.832 ( -6.154 -3.004 -3.037) 7.491 15.400 ( -2.601 2.953 0.031) 3.936 15.580 ( 0.935 -3.300 -0.153) 3.433 15.700 ( 3.433 3.254 1.717) 5.032 16.086 ( -11.865 1.336 -1.173) 11.998 16.374 ( 12.236 -3.842 0.006) 12.825 16.556 ( -3.047 -2.217 -3.974) 5.477 16.813 ( -2.120 0.488 -1.568) 2.682 17.157 ( 1.986 0.456 -0.368) 2.071 17.681 ( -0.264 -2.965 1.490) 3.329 17.792 ( -0.591 2.556 0.700) 2.715 20.745 ( -0.497 6.345 0.168) 6.367 20.863 ( 0.492 -6.629 0.266) 6.653 21.465 ( -0.369 1.428 0.887) 1.721 21.582 ( 1.358 3.017 -1.364) 3.579 21.820 ( -0.956 -1.234 -1.385) 2.087 22.351 ( 0.134 -3.052 0.614) 3.117 22.660 ( -0.664 0.182 1.610) 1.751 23.182 ( -0.030 -0.861 1.696) 1.902 25.825 ( 0.072 0.037 -0.443) 0.450 26.799 ( 4.063 3.394 -1.504) 5.503 28.216 ( 3.346 6.050 -5.086) 8.583 29.438 ( -2.871 -3.837 -11.239) 12.218 30.229 ( -0.984 3.273 3.322) 4.766 30.487 ( -7.179 3.993 4.538) 9.385 30.852 ( 11.284 -7.060 -4.087) 13.924 31.116 ( -1.264 -1.391 -6.161) 6.442 31.342 ( -0.190 0.295 -1.017) 1.076 31.723 ( -0.626 0.394 -5.195) 5.247 31.893 ( 3.147 -1.884 -1.450) 3.944 32.170 ( -1.671 1.317 0.249) 2.142 32.290 ( -0.766 1.535 0.272) 1.737 32.852 ( 1.829 0.544 -2.241) 2.944 33.126 ( -1.671 0.244 -3.006) 3.448 33.335 ( 3.604 -1.586 -9.508) 10.291 35.183 ( -1.420 6.303 7.992) 10.277 35.307 ( -1.718 -7.275 7.619) 10.673 36.308 ( -2.349 7.993 3.177) 8.916 36.375 ( 0.641 -6.328 5.590) 8.467 37.198 ( -1.049 5.936 3.556) 6.999 37.553 ( 3.491 -8.186 -4.680) 10.055 38.168 ( 2.766 2.898 4.480) 6.010 38.405 ( -6.030 -4.107 2.175) 7.613 ======================= Grid point 106 (59/78) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -2.515 5.783 12.259) 13.786 1.707 ( 13.941 -2.447 7.710) 16.117 1.841 ( -3.043 5.698 -4.248) 7.731 2.073 ( -5.995 10.348 -5.855) 13.316 2.150 ( 1.305 4.971 -1.293) 5.299 2.386 ( -2.246 1.671 -3.307) 4.332 2.585 ( -2.959 8.439 16.173) 18.481 2.704 ( -3.920 0.155 -0.697) 3.985 2.899 ( -2.703 -2.606 4.935) 6.201 3.039 ( 3.240 3.925 2.838) 5.828 3.164 ( -6.201 1.169 -0.269) 6.316 3.375 ( -4.248 5.339 0.870) 6.878 3.492 ( -0.486 -2.778 6.657) 7.230 3.637 ( 1.941 -4.868 -1.713) 5.514 3.834 ( -5.086 -2.004 -0.132) 5.469 3.915 ( 5.756 0.695 10.709) 12.178 4.060 ( -0.234 -1.158 -5.650) 5.772 4.167 ( -2.669 -4.211 3.860) 6.305 4.342 ( -0.673 0.391 -3.229) 3.321 4.593 ( 2.410 -4.313 -3.810) 6.239 4.636 ( 8.916 5.482 -0.731) 10.492 4.896 ( 10.327 2.855 4.122) 11.480 5.034 ( -8.223 -1.973 -7.436) 11.261 5.217 ( -0.649 -0.179 -8.279) 8.307 5.584 ( -0.736 -1.071 13.476) 13.539 5.728 ( 15.829 0.431 7.832) 17.666 5.939 ( -4.181 1.801 23.666) 24.100 6.344 ( -0.727 -2.980 -3.887) 4.952 6.457 ( -4.674 -6.262 1.711) 7.999 6.583 ( -10.024 -6.198 -0.728) 11.808 6.731 ( -8.169 1.009 -3.470) 8.933 6.832 ( -0.579 -4.202 0.365) 4.257 6.903 ( 1.575 -0.605 4.270) 4.591 7.011 ( -10.001 4.806 -1.348) 11.178 7.144 ( 0.049 1.103 1.595) 1.940 7.178 ( -4.982 0.624 -4.879) 7.002 7.438 ( 2.946 -1.146 8.012) 8.613 7.704 ( -4.051 9.476 -2.022) 10.502 7.730 ( 14.603 2.070 2.974) 15.045 8.053 ( -0.496 -5.407 -5.193) 7.513 8.287 ( -0.640 -3.243 -5.101) 6.078 8.794 ( 3.539 -3.421 -0.907) 5.005 9.046 ( -0.918 2.320 0.052) 2.496 9.274 ( -0.040 -7.463 3.559) 8.268 9.701 ( -0.113 -1.239 1.449) 1.909 9.792 ( 0.396 -0.104 0.383) 0.561 9.874 ( 3.965 6.674 0.245) 7.767 9.986 ( -1.794 3.630 -3.036) 5.061 10.166 ( -1.173 -0.834 -4.277) 4.512 10.206 ( -1.665 -1.893 -3.565) 4.366 10.407 ( -6.110 1.947 -8.592) 10.721 11.013 ( 2.558 -3.132 0.423) 4.066 11.871 ( 2.756 -2.306 -0.023) 3.593 12.192 ( 3.650 -0.458 4.490) 5.805 12.221 ( 7.414 -7.683 1.644) 10.802 12.481 ( -5.977 5.580 -5.197) 9.689 12.998 ( -6.196 -0.358 -2.308) 6.622 13.253 ( -5.132 9.208 -4.902) 11.625 13.651 ( 5.779 -3.647 2.466) 7.265 13.749 ( 6.840 -3.954 0.352) 7.908 14.096 ( 4.325 1.149 2.141) 4.961 14.279 ( -3.951 -3.094 -0.600) 5.054 14.360 ( 1.537 4.943 2.032) 5.561 14.577 ( 5.058 5.606 1.818) 7.766 14.706 ( 4.697 -0.064 0.156) 4.700 14.781 ( -2.431 -2.537 -0.673) 3.578 15.329 ( -1.185 3.074 1.189) 3.503 15.624 ( 3.671 0.782 -0.974) 3.878 15.692 ( -0.827 0.368 0.956) 1.317 15.910 ( -12.990 0.489 -0.269) 13.002 16.527 ( -2.154 -1.310 -5.117) 5.704 16.585 ( 11.043 -2.152 -0.711) 11.274 16.767 ( -5.751 -1.199 -1.089) 5.975 17.186 ( 2.664 -0.303 0.077) 2.683 17.694 ( -3.670 -0.416 -3.200) 4.888 17.773 ( 2.417 0.504 4.581) 5.204 20.663 ( 0.208 3.380 0.029) 3.387 20.965 ( 0.177 -4.653 0.561) 4.690 21.423 ( -0.732 2.692 1.088) 2.994 21.531 ( 1.761 4.149 -0.496) 4.534 21.827 ( -1.213 -1.427 -1.812) 2.605 22.419 ( -0.106 -4.081 -0.573) 4.122 22.634 ( -1.404 1.382 0.686) 2.086 23.226 ( 0.865 -2.483 2.813) 3.850 25.816 ( -0.332 0.414 -0.703) 0.880 26.899 ( 11.432 -3.274 1.538) 11.991 28.152 ( 5.353 6.199 -0.838) 8.233 29.350 ( -7.752 2.617 -13.820) 16.060 30.194 ( -0.384 0.186 3.552) 3.577 30.385 ( -3.912 1.922 4.331) 6.145 31.074 ( 7.288 -4.774 -4.781) 9.938 31.117 ( 0.180 -2.248 -4.667) 5.183 31.335 ( 0.143 -0.281 -0.604) 0.682 31.657 ( -1.407 3.082 -4.371) 5.530 32.001 ( 2.588 -4.718 -2.667) 6.006 32.105 ( -2.305 2.811 -0.156) 3.638 32.253 ( 0.146 1.647 -0.849) 1.859 32.854 ( 1.513 1.014 -3.025) 3.531 33.075 ( -2.723 0.977 -0.919) 3.035 33.407 ( 4.306 -2.658 -9.869) 11.091 35.100 ( -1.409 3.798 7.791) 8.781 35.411 ( -1.934 -5.357 7.824) 9.677 36.154 ( -3.350 6.106 4.991) 8.568 36.522 ( 3.180 -5.884 3.940) 7.762 37.124 ( 2.159 4.495 0.830) 5.055 37.709 ( 0.668 -8.545 -3.219) 9.156 38.102 ( 1.953 9.510 3.293) 10.252 38.411 ( -8.149 -6.091 2.452) 10.465 ======================= Grid point 108 (60/78) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 3.416 -0.000 4.773) 5.870 1.761 ( 7.600 -0.000 -4.485) 8.825 1.914 ( 7.437 -0.000 6.186) 9.674 2.078 ( -1.066 0.000 5.390) 5.494 2.153 ( 16.055 -0.000 -2.416) 16.235 2.377 ( -1.510 0.000 -3.901) 4.183 2.640 ( -6.957 0.000 21.402) 22.504 2.837 ( -5.524 0.000 -9.215) 10.744 3.021 ( -6.010 0.000 4.328) 7.406 3.025 ( 12.526 -0.000 4.559) 13.329 3.054 ( -1.034 0.000 -6.267) 6.351 3.133 ( 0.337 -0.000 1.967) 1.996 3.547 ( -8.627 0.000 6.301) 10.682 3.667 ( -6.181 0.000 4.702) 7.767 3.775 ( -12.757 0.000 -2.091) 12.927 3.961 ( 0.754 -0.000 -1.846) 1.994 4.080 ( 5.743 -0.000 -7.339) 9.319 4.172 ( -5.452 0.000 11.818) 13.015 4.305 ( 16.344 -0.000 1.297) 16.395 4.469 ( -5.858 0.000 -2.485) 6.363 4.664 ( -4.869 0.000 -5.240) 7.153 4.798 ( -9.349 0.000 3.647) 10.035 5.062 ( 9.905 -0.000 0.948) 9.951 5.198 ( 2.902 -0.000 -5.862) 6.541 5.578 ( -7.832 0.000 11.054) 13.547 5.691 ( 2.074 -0.000 7.142) 7.437 6.101 ( -9.966 0.000 14.856) 17.889 6.361 ( -4.955 0.000 -1.162) 5.090 6.439 ( -2.204 0.000 -0.957) 2.403 6.560 ( -5.862 0.000 1.491) 6.049 6.577 ( 3.667 -0.000 2.206) 4.279 6.856 ( 14.555 -0.000 3.826) 15.049 7.020 ( 1.896 -0.000 1.577) 2.466 7.025 ( -0.333 0.000 7.255) 7.263 7.132 ( 0.139 -0.000 -1.413) 1.420 7.151 ( 9.698 -0.000 -3.608) 10.348 7.616 ( 5.738 -0.000 -2.223) 6.154 7.620 ( 0.497 -0.000 6.549) 6.568 7.876 ( -13.834 0.000 -7.293) 15.638 8.090 ( 2.925 -0.000 -0.352) 2.946 8.255 ( 12.714 -0.000 -4.165) 13.379 8.723 ( -6.342 0.000 0.737) 6.385 8.907 ( -7.402 0.000 0.694) 7.434 9.345 ( -1.489 0.000 2.674) 3.061 9.729 ( -3.563 0.000 1.357) 3.813 9.799 ( -0.780 0.000 2.796) 2.903 9.860 ( 3.361 -0.000 -1.658) 3.748 9.951 ( -2.694 0.000 -6.253) 6.808 10.017 ( 3.030 -0.000 1.340) 3.313 10.266 ( 2.500 -0.000 -2.229) 3.349 10.344 ( 7.352 -0.000 -2.571) 7.789 11.073 ( -0.890 0.000 -2.278) 2.445 11.911 ( -2.554 0.000 -2.857) 3.832 12.236 ( -3.695 0.000 0.459) 3.724 12.350 ( -9.801 0.000 -5.126) 11.060 12.365 ( 6.647 -0.000 1.438) 6.801 13.014 ( 9.070 -0.000 2.883) 9.517 13.065 ( 2.408 -0.000 1.377) 2.774 13.637 ( -4.842 0.000 -0.595) 4.879 13.831 ( -9.553 0.000 -7.116) 11.912 14.073 ( -3.457 0.000 0.466) 3.488 14.270 ( -1.429 0.000 -0.778) 1.627 14.475 ( 11.064 -0.000 -2.771) 11.406 14.486 ( -10.706 0.000 0.785) 10.735 14.659 ( -0.850 0.000 1.297) 1.551 14.951 ( 2.685 -0.000 -4.699) 5.412 15.309 ( 1.964 -0.000 1.650) 2.565 15.559 ( -0.884 0.000 1.664) 1.885 15.714 ( 4.033 -0.000 1.312) 4.241 16.025 ( 12.801 -0.000 1.923) 12.944 16.392 ( -13.203 0.000 0.477) 13.212 16.458 ( -0.327 0.000 -0.809) 0.873 16.960 ( 6.414 -0.000 -5.771) 8.628 17.194 ( -2.694 0.000 -1.907) 3.301 17.567 ( -1.448 0.000 3.323) 3.625 17.875 ( 1.452 -0.000 -0.180) 1.463 20.655 ( 0.729 -0.000 -1.252) 1.449 21.011 ( 0.057 -0.000 0.312) 0.317 21.360 ( -1.567 0.000 2.110) 2.628 21.514 ( -0.686 0.000 -1.490) 1.640 21.856 ( 2.578 -0.000 -1.265) 2.872 22.405 ( -1.716 0.000 0.773) 1.883 22.588 ( -0.269 0.000 2.681) 2.694 23.289 ( -0.419 0.000 0.699) 0.815 25.804 ( 0.253 -0.000 -0.076) 0.264 27.139 ( -4.029 0.000 -15.629) 16.140 28.264 ( 0.351 -0.000 -8.660) 8.668 29.077 ( 4.979 -0.000 2.645) 5.638 30.427 ( 5.553 -0.000 3.095) 6.358 30.439 ( 12.267 -0.000 -4.981) 13.239 30.867 ( -12.064 0.000 0.885) 12.096 31.155 ( -5.600 0.000 -6.723) 8.750 31.287 ( -1.819 0.000 0.274) 1.839 31.588 ( 1.698 -0.000 -0.525) 1.778 32.019 ( -3.486 0.000 -2.801) 4.472 32.179 ( 7.568 -0.000 -0.711) 7.601 32.274 ( 1.321 -0.000 -3.214) 3.475 32.843 ( 0.374 -0.000 -4.612) 4.627 33.023 ( 1.045 -0.000 2.221) 2.454 33.437 ( -0.511 0.000 -10.980) 10.991 35.069 ( -1.476 0.000 7.623) 7.764 35.451 ( -1.500 0.000 8.653) 8.782 36.062 ( -0.624 0.000 6.434) 6.464 36.717 ( 1.450 -0.000 -2.966) 3.301 37.207 ( 3.748 -0.000 -3.422) 5.075 37.488 ( -11.779 0.000 6.275) 13.346 37.930 ( -4.697 0.000 7.561) 8.901 38.520 ( 6.243 -0.000 3.135) 6.987 ======================= Grid point 109 (61/78) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 21.720 -0.130 10.856) 24.282 1.762 ( -2.530 -5.412 -1.895) 6.268 2.026 ( 12.006 5.219 0.110) 13.091 2.075 ( -4.427 0.292 1.510) 4.687 2.372 ( 2.031 0.413 1.254) 2.422 2.495 ( 9.264 -13.788 -4.092) 17.108 2.566 ( -13.535 -1.286 15.080) 20.304 2.729 ( -7.968 1.148 -17.592) 19.346 3.036 ( -3.211 -1.665 2.487) 4.390 3.071 ( -1.752 -10.440 -4.247) 11.406 3.123 ( 3.263 -1.854 0.985) 3.880 3.187 ( -3.315 -6.781 12.291) 14.423 3.416 ( -1.439 8.395 16.812) 18.846 3.602 ( -5.563 0.044 3.665) 6.662 3.623 ( -8.949 -0.861 2.425) 9.311 3.915 ( -3.834 0.787 -1.662) 4.252 4.011 ( -4.074 4.809 -4.856) 7.957 4.214 ( 0.517 -1.999 -0.755) 2.198 4.420 ( -0.155 -1.699 -0.416) 1.756 4.553 ( 10.647 -0.729 -0.724) 10.697 4.629 ( 6.225 1.643 -3.549) 7.352 4.781 ( -0.331 -5.921 2.876) 6.591 5.131 ( 7.060 4.781 0.058) 8.527 5.206 ( 4.644 1.571 -6.249) 7.943 5.515 ( -5.867 0.387 10.145) 11.726 5.686 ( 0.824 4.088 5.143) 6.621 6.017 ( -11.917 0.013 22.894) 25.810 6.250 ( -0.927 5.464 0.030) 5.542 6.460 ( -7.460 -6.100 -4.595) 10.676 6.508 ( -0.063 1.612 2.095) 2.644 6.645 ( 2.990 -1.777 3.988) 5.292 6.939 ( 1.678 2.398 0.936) 3.073 6.975 ( -0.384 6.197 0.574) 6.235 7.060 ( 2.261 -2.698 5.119) 6.212 7.130 ( -0.674 -0.543 -1.767) 1.967 7.278 ( 6.550 -2.845 -0.832) 7.190 7.558 ( -14.897 1.920 -6.878) 16.520 7.704 ( 3.167 3.803 9.653) 10.848 7.723 ( 5.124 -1.728 -2.297) 5.876 8.121 ( 4.990 1.529 -3.843) 6.482 8.381 ( 11.051 5.550 -4.482) 13.153 8.642 ( -0.891 1.020 1.087) 1.737 8.884 ( -5.838 -6.418 3.449) 9.337 9.269 ( -2.453 6.112 1.733) 6.809 9.693 ( -2.503 -0.095 1.823) 3.098 9.798 ( -1.379 -0.601 3.686) 3.981 9.905 ( 4.259 -0.226 -2.252) 4.823 9.944 ( -5.049 -7.105 -7.904) 11.766 10.114 ( 5.779 -2.303 1.842) 6.488 10.262 ( 1.966 2.900 -2.421) 4.259 10.437 ( 8.059 -0.016 -0.829) 8.101 11.019 ( -2.355 3.057 -3.531) 5.231 11.852 ( -2.212 1.055 -2.403) 3.432 12.133 ( -7.897 6.414 -4.152) 10.988 12.202 ( -6.038 -1.435 -2.496) 6.690 12.518 ( 8.400 -4.338 2.995) 9.917 13.076 ( 5.528 1.211 1.874) 5.961 13.220 ( 4.810 -7.385 4.523) 9.906 13.582 ( -6.864 1.258 -4.169) 8.128 13.647 ( -7.637 0.168 -4.602) 8.918 14.070 ( -2.558 -2.903 0.391) 3.889 14.220 ( -5.181 2.005 0.540) 5.581 14.415 ( -8.529 -6.175 -1.180) 10.596 14.579 ( 0.915 1.615 -1.831) 2.607 14.631 ( 4.521 0.124 -0.408) 4.541 14.964 ( 6.746 3.958 -2.396) 8.180 15.389 ( 4.364 -3.356 1.501) 5.706 15.536 ( -0.748 1.643 0.543) 1.885 15.771 ( 4.103 0.053 -0.237) 4.110 16.147 ( -2.141 2.523 0.087) 3.310 16.255 ( -1.109 -3.009 1.138) 3.403 16.481 ( 1.447 -1.458 0.970) 2.272 16.956 ( 2.613 5.468 -4.828) 7.749 17.153 ( -2.891 -0.572 -2.357) 3.774 17.586 ( -0.360 -2.082 4.577) 5.041 17.873 ( 0.737 1.687 -1.073) 2.131 20.686 ( 0.499 -3.181 -1.200) 3.436 20.964 ( -0.438 5.263 0.198) 5.285 21.391 ( -0.737 -4.423 1.905) 4.872 21.523 ( -1.163 -2.826 -1.786) 3.540 21.870 ( 2.492 1.855 -1.203) 3.331 22.369 ( -0.898 2.320 1.402) 2.856 22.612 ( 0.361 -1.839 2.965) 3.508 23.251 ( -1.076 3.148 0.318) 3.342 25.813 ( 0.454 -0.473 0.034) 0.656 26.970 ( -7.192 5.182 -14.425) 16.931 28.244 ( -2.148 -2.456 -9.910) 10.434 29.244 ( 9.374 -5.648 2.139) 11.151 30.427 ( 5.645 6.896 -1.265) 9.002 30.621 ( 5.550 -1.113 0.519) 5.685 30.688 ( -5.577 0.835 -1.859) 5.937 31.067 ( -6.485 -1.005 -5.286) 8.426 31.299 ( -0.885 -2.101 -0.228) 2.291 31.630 ( 2.401 -2.377 -0.153) 3.382 31.962 ( -3.177 1.122 -3.714) 5.014 32.222 ( 3.739 2.667 -1.030) 4.707 32.297 ( 0.946 -0.837 -0.896) 1.549 32.848 ( 1.363 -1.002 -4.658) 4.956 33.066 ( 2.775 -1.594 0.050) 3.201 33.377 ( -1.823 2.046 -10.226) 10.586 35.101 ( -1.527 -3.871 7.551) 8.622 35.406 ( -1.302 5.416 8.627) 10.270 36.124 ( 0.504 -5.535 5.896) 8.103 36.630 ( -3.294 7.719 -0.207) 8.395 37.291 ( 1.880 -6.285 -3.116) 7.263 37.372 ( -3.916 3.469 4.721) 7.047 37.955 ( -4.161 -6.794 7.080) 10.658 38.556 ( 5.010 5.072 3.171) 7.802 ======================= Grid point 110 (62/78) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.495 2.423 -4.598) 5.221 1.883 ( 17.968 6.400 6.592) 20.181 1.927 ( -6.774 -2.336 -0.194) 7.168 2.084 ( 1.152 -0.694 1.304) 1.873 2.361 ( -4.475 2.566 0.097) 5.159 2.380 ( -18.215 -5.528 -5.617) 19.847 2.641 ( -0.379 -2.328 8.460) 8.783 2.769 ( 8.831 3.353 -2.371) 9.739 2.902 ( -5.318 3.278 6.261) 8.845 3.124 ( 2.949 -0.079 -1.484) 3.302 3.233 ( -5.168 -2.663 12.368) 13.666 3.307 ( -5.920 -6.078 2.366) 8.808 3.416 ( 5.832 -0.211 17.303) 18.261 3.638 ( -2.733 -6.956 1.182) 7.566 3.660 ( 5.969 -7.266 1.731) 9.561 3.857 ( -5.284 2.176 -11.846) 13.153 3.897 ( -2.554 -4.885 1.163) 5.634 4.216 ( 0.854 1.740 -0.838) 2.112 4.435 ( 0.061 2.264 -0.886) 2.432 4.553 ( -2.852 3.093 -2.912) 5.117 4.696 ( 7.509 -0.328 1.238) 7.617 4.958 ( 4.498 -4.480 2.388) 6.783 5.075 ( 2.132 6.145 -6.638) 9.293 5.220 ( 4.144 3.169 -5.210) 7.373 5.495 ( -2.489 -2.542 8.994) 9.672 5.672 ( 0.500 -1.448 5.275) 5.493 5.973 ( 0.144 0.722 26.053) 26.064 6.197 ( 0.080 0.738 2.561) 2.666 6.391 ( -10.510 -2.917 -1.704) 11.039 6.476 ( -0.599 5.424 -1.699) 5.715 6.723 ( 3.051 -2.333 2.675) 4.680 6.833 ( -4.615 4.074 0.685) 6.194 6.936 ( 1.686 1.932 2.732) 3.747 7.108 ( -2.458 -1.377 -5.435) 6.122 7.152 ( 0.669 -2.144 2.126) 3.093 7.222 ( -12.331 7.953 0.382) 14.678 7.427 ( 0.719 -3.632 0.448) 3.729 7.753 ( -2.158 -5.872 2.372) 6.691 7.814 ( 8.895 2.141 -2.102) 9.387 8.111 ( 3.856 6.472 -6.766) 10.126 8.300 ( 3.573 8.228 -0.196) 8.973 8.702 ( 4.003 -2.187 -1.142) 4.702 8.982 ( 0.064 -7.165 6.964) 9.992 9.149 ( -2.292 3.820 1.204) 4.615 9.683 ( -0.561 -0.343 1.712) 1.834 9.795 ( -1.448 0.050 3.149) 3.466 9.947 ( 1.937 -1.213 -3.891) 4.513 10.014 ( -2.506 -8.176 -4.693) 9.755 10.148 ( 1.275 4.670 -1.883) 5.194 10.232 ( 1.937 2.553 -3.167) 4.505 10.512 ( 5.873 2.325 -0.807) 6.368 10.930 ( -3.102 0.830 -3.839) 5.005 11.849 ( 0.598 -0.960 -0.514) 1.242 11.977 ( -3.576 -0.184 -2.563) 4.403 12.185 ( -2.659 -3.305 -1.111) 4.385 12.641 ( 4.820 1.756 0.958) 5.219 13.066 ( -3.008 3.203 -1.328) 4.590 13.373 ( 1.419 -2.338 3.468) 4.417 13.463 ( -0.542 -2.237 -2.954) 3.745 13.676 ( -2.170 -5.803 -2.335) 6.621 14.096 ( 0.326 -1.927 -0.418) 1.999 14.158 ( -2.494 -1.664 2.097) 3.659 14.407 ( -4.696 -1.795 -0.169) 5.030 14.550 ( -3.407 -4.469 -0.547) 5.646 14.712 ( 5.765 -0.263 -0.457) 5.789 14.944 ( 5.748 8.569 -0.764) 10.346 15.452 ( 2.704 2.660 1.046) 3.935 15.549 ( 2.484 -2.787 1.820) 4.153 15.794 ( 3.828 2.102 -3.144) 5.382 15.950 ( -14.969 3.073 -0.548) 15.291 16.391 ( 3.070 -5.505 -2.215) 6.681 16.544 ( 6.426 -0.444 2.629) 6.957 16.846 ( -2.072 6.422 -3.206) 7.471 17.146 ( -0.919 -1.973 -1.961) 2.930 17.634 ( -0.090 -2.520 3.647) 4.433 17.838 ( 0.191 2.650 -0.765) 2.765 20.764 ( 0.264 -5.938 -0.462) 5.962 20.852 ( -0.474 7.152 0.242) 7.171 21.456 ( -0.159 -2.567 1.367) 2.913 21.566 ( -0.517 -3.850 -1.906) 4.327 21.845 ( 1.236 3.358 -1.079) 3.738 22.335 ( -0.133 0.944 1.245) 1.568 22.651 ( 0.017 -1.206 2.522) 2.796 23.191 ( -0.730 2.035 0.817) 2.311 25.824 ( 0.214 -0.190 -0.327) 0.435 26.827 ( -2.726 0.074 -7.551) 8.029 28.252 ( -0.357 -2.579 -9.193) 9.554 29.405 ( 7.155 -0.595 -3.701) 8.077 30.308 ( -3.208 7.625 0.463) 8.285 30.502 ( -3.101 4.645 4.862) 7.405 30.875 ( 12.019 -6.504 -7.002) 15.355 31.011 ( -6.923 -3.101 -3.911) 8.535 31.312 ( -1.160 -0.920 -0.439) 1.544 31.715 ( 3.192 -2.878 -1.427) 4.529 31.896 ( -1.734 1.231 -3.934) 4.471 32.209 ( 1.940 3.034 -0.019) 3.601 32.287 ( -1.996 0.408 -0.063) 2.038 32.881 ( 2.441 -0.582 -3.637) 4.418 33.106 ( 0.491 0.104 -1.755) 1.825 33.321 ( 0.553 -0.575 -9.889) 9.921 35.186 ( -1.623 -6.419 7.614) 10.090 35.303 ( -1.289 7.268 8.216) 11.045 36.264 ( 1.719 -8.088 4.659) 9.491 36.437 ( -4.796 9.356 3.786) 11.175 37.301 ( 1.580 4.819 1.378) 5.256 37.415 ( -0.918 -8.443 -1.834) 8.689 38.072 ( -1.842 -9.844 5.362) 11.360 38.481 ( 1.396 9.719 2.926) 10.245 ======================= Grid point 111 (63/78) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -13.635 1.809 -13.554) 19.311 1.770 ( -14.287 9.183 5.545) 17.866 2.011 ( 9.946 5.859 10.318) 15.483 2.108 ( 3.097 0.561 -0.292) 3.161 2.278 ( 1.922 3.770 -7.760) 8.839 2.379 ( 1.155 -2.280 -2.560) 3.617 2.686 ( -0.710 4.117 16.923) 17.431 2.706 ( 1.677 -5.410 6.924) 8.945 2.907 ( 6.158 7.515 -1.520) 9.834 3.113 ( -2.581 2.819 4.282) 5.740 3.209 ( -2.654 4.540 4.258) 6.767 3.322 ( -2.776 -6.584 4.992) 8.717 3.522 ( 2.504 -0.267 11.349) 11.625 3.645 ( 3.884 2.230 -2.242) 5.008 3.787 ( 1.395 1.431 0.762) 2.139 3.871 ( -4.253 -9.109 -5.544) 11.480 4.020 ( 3.098 -4.621 -3.868) 6.776 4.143 ( -4.103 3.616 8.780) 10.344 4.341 ( 0.166 4.673 -4.915) 6.784 4.518 ( -0.379 -4.981 -3.085) 5.871 4.789 ( 6.360 0.053 1.552) 6.547 4.912 ( -9.259 2.481 -3.541) 10.218 5.040 ( 2.023 3.384 -0.306) 3.955 5.183 ( -0.939 1.517 -5.773) 6.042 5.556 ( -1.941 -4.081 9.645) 10.651 5.705 ( -10.342 -5.794 9.700) 15.317 6.159 ( 15.811 -1.027 17.270) 23.437 6.264 ( 5.971 -4.077 2.598) 7.683 6.332 ( -4.727 -1.170 -0.463) 4.892 6.390 ( -3.157 -2.798 2.364) 4.835 6.671 ( -7.463 4.010 0.455) 8.484 6.816 ( 1.482 -0.415 -0.181) 1.549 6.953 ( 1.921 0.276 1.660) 2.554 6.974 ( -4.509 5.583 -1.714) 7.378 7.079 ( -5.212 -2.301 -3.038) 6.457 7.175 ( 0.518 1.452 2.038) 2.555 7.486 ( 1.511 -0.781 3.615) 3.995 7.777 ( -1.327 3.271 0.314) 3.544 7.888 ( 2.161 -6.761 -9.223) 11.638 8.002 ( 5.240 8.759 -1.227) 10.280 8.256 ( 0.472 2.056 -1.978) 2.892 8.761 ( -2.213 -3.590 1.026) 4.341 9.044 ( -1.414 -0.011 1.641) 2.166 9.179 ( 1.932 -5.741 5.031) 7.874 9.699 ( 1.685 -0.577 0.681) 1.907 9.778 ( -2.303 -0.062 2.613) 3.483 9.972 ( 1.281 0.003 -1.813) 2.220 10.039 ( -1.593 6.273 -2.501) 6.938 10.106 ( -1.559 -6.054 -3.775) 7.303 10.181 ( 1.552 3.942 -4.466) 6.156 10.446 ( 0.390 8.333 -4.880) 9.665 10.955 ( 0.254 -5.536 -1.425) 5.722 11.852 ( 0.299 -1.190 -0.714) 1.420 12.082 ( 1.370 -10.746 -0.195) 10.835 12.234 ( 0.950 -3.060 1.589) 3.577 12.565 ( 0.022 8.832 -2.024) 9.061 12.959 ( -3.134 2.900 -1.032) 4.393 13.320 ( -2.337 5.880 -2.423) 6.775 13.614 ( 3.989 -8.949 0.322) 9.803 13.706 ( -1.825 -1.824 -1.092) 2.802 14.129 ( -0.392 -1.611 -1.657) 2.345 14.214 ( 2.740 -2.547 0.962) 3.863 14.433 ( 3.547 -3.053 4.690) 6.626 14.599 ( -5.340 -5.190 -2.687) 7.917 14.767 ( 2.825 4.816 0.752) 5.634 14.815 ( 1.787 5.364 -0.801) 5.710 15.419 ( 2.693 5.688 2.000) 6.603 15.624 ( 1.114 -2.589 1.521) 3.203 15.730 ( -10.805 3.862 0.254) 11.477 15.814 ( 5.487 0.939 -3.158) 6.400 16.454 ( -2.610 -3.405 -3.224) 5.366 16.647 ( 3.137 0.051 -0.117) 3.139 16.728 ( 0.426 1.369 -1.558) 2.117 17.176 ( -0.009 -2.405 -1.207) 2.691 17.657 ( -1.482 0.089 0.478) 1.560 17.811 ( 1.016 0.668 1.556) 1.975 20.741 ( 0.175 5.795 0.071) 5.798 20.873 ( 0.139 -6.719 0.183) 6.723 21.461 ( -0.335 1.836 1.137) 2.185 21.593 ( 0.267 0.957 -1.657) 1.932 21.809 ( 0.384 0.956 -1.054) 1.474 22.350 ( -0.424 -2.828 0.553) 2.912 22.648 ( -0.887 1.530 1.726) 2.471 23.194 ( 0.241 -2.328 1.776) 2.937 25.820 ( -0.174 0.494 -0.641) 0.828 26.891 ( 3.633 -8.001 -3.462) 9.444 28.261 ( 2.228 0.638 -7.492) 7.842 29.377 ( 1.020 8.483 -8.510) 12.059 30.207 ( -0.428 0.894 3.015) 3.174 30.428 ( 1.221 4.401 3.827) 5.959 30.980 ( -8.319 -5.083 -3.042) 10.212 31.089 ( 8.440 -5.377 -6.713) 12.050 31.308 ( -0.436 -0.500 -0.217) 0.698 31.709 ( -0.314 4.599 -3.909) 6.044 31.931 ( 1.001 -5.851 -2.346) 6.383 32.159 ( 0.917 4.328 -0.051) 4.424 32.267 ( -0.283 0.287 -0.423) 0.584 32.885 ( 0.293 1.204 -3.024) 3.268 33.072 ( -0.593 2.249 -0.836) 2.472 33.367 ( 2.634 -4.152 -10.426) 11.528 35.188 ( -1.292 6.594 7.909) 10.378 35.299 ( -1.837 -7.215 7.776) 10.766 36.248 ( -3.553 8.511 5.892) 10.944 36.442 ( 2.903 -8.957 2.321) 9.698 37.251 ( 4.219 5.683 -1.240) 7.185 37.522 ( -5.343 -9.061 0.654) 10.539 38.228 ( -3.539 -7.998 4.330) 9.759 38.305 ( 1.482 11.078 3.012) 11.576 ======================= Grid point 114 (64/78) ======================= q-point: (-0.60 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 2.664 -0.000 -7.001) 7.491 1.731 ( 18.971 -0.000 5.006) 19.620 1.945 ( -15.873 0.000 -8.251) 17.889 2.169 ( -3.296 0.000 -1.767) 3.740 2.230 ( -11.304 0.000 -17.426) 20.771 2.446 ( -3.019 0.000 2.843) 4.146 2.562 ( 2.354 -0.000 26.507) 26.611 2.688 ( 9.639 -0.000 -14.284) 17.232 2.843 ( -6.616 0.000 -0.409) 6.629 3.033 ( 6.297 -0.000 4.244) 7.593 3.129 ( -0.476 0.000 8.800) 8.812 3.245 ( 3.783 -0.000 14.010) 14.511 3.479 ( -8.003 0.000 2.647) 8.430 3.553 ( -3.322 0.000 3.689) 4.965 3.555 ( 2.723 -0.000 16.912) 17.130 3.868 ( -5.648 0.000 0.617) 5.682 4.026 ( -6.661 0.000 1.283) 6.783 4.170 ( 2.672 -0.000 -15.515) 15.744 4.380 ( 0.702 -0.000 3.033) 3.113 4.551 ( -1.721 0.000 -1.927) 2.584 4.698 ( -2.487 0.000 4.287) 4.956 4.879 ( 15.931 -0.000 -2.848) 16.184 5.226 ( 1.901 -0.000 -7.221) 7.467 5.301 ( 10.346 -0.000 -0.907) 10.386 5.474 ( -4.887 0.000 7.744) 9.157 5.697 ( -7.777 0.000 3.307) 8.451 5.963 ( -0.880 0.000 20.545) 20.563 6.259 ( -9.770 0.000 -4.301) 10.675 6.350 ( 3.039 -0.000 3.679) 4.772 6.547 ( 2.971 -0.000 2.433) 3.840 6.670 ( 1.802 -0.000 5.769) 6.044 6.958 ( -2.199 0.000 2.943) 3.674 6.960 ( -9.396 0.000 -3.095) 9.893 7.073 ( 3.101 -0.000 3.332) 4.552 7.145 ( 1.058 -0.000 -0.366) 1.120 7.247 ( -2.993 0.000 -2.344) 3.802 7.473 ( -3.747 0.000 -2.574) 4.546 7.744 ( -1.557 0.000 7.106) 7.275 7.827 ( 9.706 -0.000 -0.476) 9.718 8.181 ( 4.002 -0.000 -2.741) 4.851 8.530 ( 0.399 -0.000 -8.309) 8.319 8.640 ( 1.146 -0.000 -3.528) 3.709 8.817 ( 6.689 -0.000 11.285) 13.119 9.320 ( -0.989 0.000 2.825) 2.993 9.668 ( -1.329 0.000 0.251) 1.353 9.774 ( -6.517 0.000 -9.338) 11.388 9.787 ( -1.293 0.000 6.106) 6.242 9.960 ( 4.307 -0.000 -3.768) 5.723 10.168 ( 5.874 -0.000 2.362) 6.331 10.304 ( 1.106 -0.000 -1.409) 1.791 10.554 ( 9.660 -0.000 0.942) 9.706 10.992 ( -4.742 0.000 -5.356) 7.153 11.818 ( -2.881 0.000 -3.106) 4.236 12.062 ( -7.635 0.000 -4.936) 9.091 12.093 ( -8.626 0.000 -3.820) 9.434 12.621 ( 11.613 -0.000 5.171) 12.712 13.191 ( 3.839 -0.000 0.957) 3.956 13.195 ( 4.960 -0.000 3.907) 6.314 13.481 ( -6.533 0.000 0.798) 6.582 13.521 ( -10.299 0.000 -9.804) 14.219 14.011 ( -2.028 0.000 2.949) 3.579 14.220 ( -8.237 0.000 -2.099) 8.500 14.251 ( 0.473 -0.000 2.203) 2.253 14.572 ( -4.876 0.000 -1.966) 5.258 14.685 ( 4.796 -0.000 -1.595) 5.055 15.072 ( 6.872 -0.000 -1.234) 6.982 15.460 ( 9.569 -0.000 3.764) 10.283 15.522 ( -2.939 0.000 -3.470) 4.547 15.815 ( 2.380 -0.000 -2.294) 3.305 16.049 ( -12.975 0.000 0.718) 12.995 16.273 ( 4.336 -0.000 0.876) 4.424 16.539 ( 8.129 -0.000 3.917) 9.024 17.025 ( 1.152 -0.000 -4.441) 4.588 17.076 ( -5.720 0.000 -3.581) 6.748 17.584 ( 0.501 -0.000 6.670) 6.689 17.890 ( 0.361 -0.000 -2.849) 2.872 20.659 ( -0.003 0.000 -1.540) 1.540 21.011 ( -0.085 0.000 0.100) 0.131 21.345 ( -0.309 0.000 2.683) 2.701 21.479 ( -1.190 0.000 -2.334) 2.620 21.912 ( 2.097 -0.000 -1.298) 2.467 22.387 ( -0.172 0.000 1.767) 1.776 22.612 ( 0.889 -0.000 2.979) 3.109 23.263 ( -1.590 0.000 0.110) 1.594 25.815 ( 0.506 -0.000 0.137) 0.524 26.856 ( -10.566 0.000 -15.823) 19.026 28.144 ( -4.857 0.000 -8.500) 9.790 29.369 ( 14.673 -0.000 3.239) 15.026 30.563 ( -13.317 0.000 5.183) 14.290 30.575 ( 4.123 -0.000 -0.896) 4.220 30.704 ( 12.483 -0.000 -10.378) 16.233 30.959 ( -6.568 0.000 -3.416) 7.403 31.288 ( 1.168 -0.000 0.083) 1.171 31.639 ( 2.482 -0.000 1.017) 2.682 31.913 ( -3.617 0.000 -3.331) 4.917 32.274 ( -0.478 0.000 -0.926) 1.043 32.311 ( 2.927 -0.000 -0.786) 3.030 32.831 ( 1.086 -0.000 -7.433) 7.512 33.110 ( 5.239 -0.000 -0.008) 5.239 33.336 ( -3.413 0.000 -9.252) 9.861 35.069 ( -1.494 0.000 7.510) 7.658 35.460 ( -1.239 0.000 8.777) 8.864 36.098 ( 1.074 -0.000 5.033) 5.146 36.637 ( -6.678 0.000 2.683) 7.197 37.225 ( -2.110 0.000 0.026) 2.110 37.405 ( 2.985 -0.000 0.707) 3.068 37.881 ( -1.266 0.000 5.914) 6.048 38.663 ( 3.791 -0.000 3.121) 4.910 ======================= Grid point 115 (65/78) ======================= q-point: (-0.40 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -23.639 6.120 -11.362) 26.932 1.768 ( -2.535 -4.484 -1.402) 5.339 1.918 ( -6.454 -12.533 -5.233) 15.038 2.118 ( 2.247 0.157 -0.534) 2.315 2.232 ( 6.940 -3.555 -9.847) 12.560 2.359 ( -1.547 2.770 -1.783) 3.639 2.692 ( 2.880 -5.313 15.221) 16.377 2.756 ( -5.814 3.019 9.615) 11.634 2.861 ( -0.676 -7.174 4.016) 8.249 3.094 ( 5.153 3.558 3.081) 6.979 3.222 ( 6.831 -5.991 5.162) 10.450 3.352 ( 3.549 5.399 7.215) 9.685 3.474 ( 3.548 -7.954 7.963) 11.801 3.556 ( -0.168 -2.411 2.031) 3.157 3.613 ( 6.700 2.461 14.759) 16.395 3.793 ( -4.854 -0.251 0.620) 4.900 3.919 ( -1.441 3.964 -3.280) 5.343 4.157 ( -3.862 -3.482 -17.918) 18.657 4.418 ( -0.607 0.360 -0.466) 0.846 4.561 ( 0.725 -1.583 6.151) 6.392 4.708 ( -0.459 -3.489 3.101) 4.690 4.923 ( -7.884 0.565 1.832) 8.113 5.191 ( 2.562 4.494 -9.755) 11.041 5.340 ( 2.763 5.460 -3.479) 7.039 5.445 ( -3.398 -0.989 7.869) 8.629 5.593 ( -9.586 -0.699 9.142) 13.265 6.089 ( 8.088 -1.177 2.511) 8.550 6.241 ( 6.950 -5.456 7.543) 11.617 6.335 ( 0.650 7.495 5.072) 9.073 6.552 ( 1.145 3.942 0.242) 4.112 6.718 ( 0.455 -1.904 3.629) 4.123 6.825 ( -6.258 1.803 -0.087) 6.513 6.938 ( -2.440 -0.478 4.061) 4.762 7.071 ( -3.223 3.922 -1.659) 5.341 7.138 ( 1.994 -2.293 2.013) 3.645 7.268 ( -2.918 0.084 1.613) 3.335 7.388 ( 0.003 2.696 -1.576) 3.123 7.687 ( -3.604 2.970 1.570) 4.927 7.930 ( 6.586 -0.226 -2.085) 6.912 8.194 ( 2.472 2.671 -2.439) 4.381 8.430 ( -5.605 2.444 -4.028) 7.322 8.660 ( 0.432 -0.424 -3.803) 3.851 8.990 ( 9.374 -3.029 8.771) 13.190 9.230 ( -1.036 8.471 2.085) 8.785 9.678 ( 1.049 -1.036 0.356) 1.516 9.756 ( -3.213 -4.268 -1.962) 5.691 9.810 ( -2.490 -5.603 -1.154) 6.239 9.984 ( 2.922 0.660 -3.542) 4.639 10.231 ( 2.534 1.709 0.153) 3.060 10.272 ( -0.206 2.576 -2.034) 3.289 10.661 ( 10.028 1.902 2.520) 10.513 10.879 ( -7.329 2.497 -7.285) 10.631 11.818 ( 0.702 -3.485 -1.336) 3.797 11.940 ( -4.905 3.608 -2.711) 6.666 12.059 ( -2.898 -5.500 -2.680) 6.770 12.754 ( 7.249 1.205 2.625) 7.803 13.098 ( -2.881 5.755 -1.639) 6.641 13.383 ( 3.408 -9.045 3.151) 10.166 13.386 ( -2.182 1.440 -3.122) 4.072 13.505 ( -2.931 -6.898 -0.264) 7.500 14.029 ( -1.096 -3.037 2.249) 3.935 14.150 ( -0.077 -0.271 -1.676) 1.699 14.300 ( -0.486 -3.736 1.957) 4.245 14.505 ( -2.517 0.983 -0.420) 2.734 14.716 ( -1.289 -1.459 -0.886) 2.139 15.105 ( 3.198 4.255 -0.895) 5.398 15.495 ( -1.071 -2.312 -2.959) 3.905 15.574 ( 7.163 1.132 3.987) 8.275 15.745 ( -12.429 0.473 -3.875) 13.028 15.963 ( 5.660 4.153 -0.350) 7.029 16.321 ( -1.253 -3.175 0.296) 3.426 16.648 ( 7.743 0.538 2.677) 8.210 16.918 ( -3.226 6.542 -3.477) 8.081 17.076 ( -1.764 -3.587 -2.547) 4.740 17.620 ( 0.842 -1.251 6.568) 6.738 17.867 ( -0.541 1.600 -3.506) 3.891 20.682 ( -0.358 -3.560 -0.988) 3.712 20.957 ( -0.148 5.703 0.245) 5.710 21.399 ( 0.661 -4.465 2.411) 5.117 21.489 ( -0.701 -3.286 -2.342) 4.096 21.906 ( 0.674 2.399 -1.543) 2.930 22.372 ( 0.603 2.383 1.529) 2.895 22.640 ( 0.639 -1.224 2.421) 2.787 23.222 ( -1.285 2.462 0.624) 2.846 25.823 ( 0.282 -0.213 -0.156) 0.386 26.726 ( -6.259 -1.951 -9.418) 11.475 28.125 ( -3.191 -5.707 -6.804) 9.436 29.527 ( 10.864 1.102 -3.258) 11.395 30.362 ( -8.713 6.613 3.906) 11.615 30.574 ( 0.292 2.495 1.499) 2.925 30.834 ( 0.591 -2.213 -8.361) 8.669 30.938 ( 5.241 -3.520 -4.000) 7.474 31.303 ( 0.699 -0.140 -0.436) 0.835 31.703 ( 3.646 -3.127 1.049) 4.916 31.868 ( -2.494 0.526 -4.314) 5.011 32.259 ( -0.745 0.277 0.252) 0.834 32.296 ( -0.356 3.109 -0.404) 3.155 32.853 ( 0.761 -2.470 -6.659) 7.143 33.154 ( 3.688 1.832 -1.801) 4.494 33.284 ( -0.837 -0.599 -8.510) 8.572 35.100 ( -1.537 -3.769 7.546) 8.573 35.416 ( -1.306 5.501 8.416) 10.139 36.173 ( 1.229 -5.916 3.897) 7.190 36.514 ( -5.614 6.044 5.718) 10.037 37.234 ( -5.261 -5.383 2.866) 8.054 37.438 ( 6.854 2.970 -3.336) 8.181 37.945 ( 0.985 -6.064 4.490) 7.609 38.644 ( 0.874 6.659 2.472) 7.157 ======================= Grid point 116 (66/78) ======================= q-point: (-0.20 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -15.295 1.253 -4.391) 15.962 1.737 ( -3.433 -0.484 3.970) 5.271 2.104 ( 1.568 -1.104 0.896) 2.117 2.172 ( -4.392 -12.083 5.554) 14.004 2.231 ( -0.317 3.304 -3.379) 4.736 2.374 ( 3.259 1.343 -7.539) 8.322 2.672 ( 1.159 -2.022 11.792) 12.021 2.819 ( 5.459 0.697 12.817) 13.949 3.026 ( -4.289 -7.987 -0.082) 9.066 3.098 ( 3.725 1.967 6.554) 7.791 3.195 ( -3.036 8.195 -2.586) 9.114 3.337 ( 3.123 0.979 3.934) 5.117 3.557 ( -0.427 0.953 5.082) 5.188 3.662 ( 0.368 -1.952 1.158) 2.299 3.774 ( 6.806 -3.699 -3.791) 8.624 3.867 ( 5.852 -8.169 6.048) 11.729 3.903 ( 5.593 -0.853 2.769) 6.299 4.119 ( -4.121 -2.302 -8.340) 9.584 4.370 ( -3.936 -0.609 -6.608) 7.715 4.498 ( -6.227 7.646 4.934) 11.026 4.755 ( -10.640 -0.739 5.098) 11.821 4.849 ( 0.935 -6.550 1.325) 6.748 5.105 ( 0.105 6.074 -8.469) 10.422 5.235 ( -0.617 5.609 -3.855) 6.834 5.471 ( -1.955 -3.532 8.055) 9.010 5.552 ( -5.588 -2.173 11.894) 13.320 6.129 ( -7.463 -1.416 7.804) 10.891 6.237 ( 1.522 0.416 2.909) 3.309 6.428 ( -2.383 8.246 -0.770) 8.618 6.583 ( 27.518 -1.898 6.699) 28.385 6.684 ( -2.115 3.400 2.651) 4.802 6.817 ( -0.050 -0.850 -0.292) 0.900 6.940 ( -1.607 0.182 1.802) 2.421 6.984 ( -3.958 1.244 0.000) 4.149 7.101 ( 1.362 5.648 1.388) 5.973 7.205 ( 0.903 0.508 1.316) 1.675 7.450 ( -0.117 -4.828 -0.268) 4.837 7.641 ( -5.372 -5.100 0.195) 7.410 7.962 ( 4.502 3.553 -6.158) 8.415 8.124 ( -1.667 5.972 -4.080) 7.422 8.318 ( -4.701 2.829 -1.350) 5.650 8.648 ( -3.424 -1.238 0.573) 3.686 9.095 ( 2.080 5.849 2.934) 6.866 9.136 ( 0.451 -3.482 2.951) 4.587 9.716 ( 2.324 -0.758 0.732) 2.552 9.755 ( -2.605 0.023 2.905) 3.902 9.909 ( 0.127 -7.026 -5.370) 8.845 10.020 ( 2.173 -2.942 -1.713) 4.039 10.133 ( -0.933 6.900 -1.537) 7.131 10.249 ( 0.696 2.653 -3.638) 4.556 10.612 ( -0.552 10.851 -3.974) 11.569 10.857 ( 1.630 -5.790 -1.641) 6.235 11.857 ( -0.940 1.563 -0.534) 1.901 11.931 ( 1.959 -7.408 -0.523) 7.681 12.153 ( 0.569 -6.759 -0.176) 6.785 12.707 ( -1.096 7.735 -2.258) 8.132 13.009 ( 1.991 3.697 1.124) 4.347 13.365 ( 0.330 0.508 -0.950) 1.127 13.528 ( 0.505 -2.916 1.210) 3.197 13.620 ( 0.640 -8.568 -0.913) 8.640 14.069 ( -1.257 -2.965 -0.114) 3.223 14.224 ( 5.808 -3.311 -1.571) 6.868 14.380 ( 0.891 -5.468 3.095) 6.346 14.502 ( -0.207 -1.949 1.031) 2.214 14.706 ( -5.434 -3.546 0.094) 6.490 14.984 ( -2.835 9.646 -2.864) 10.454 15.544 ( -1.986 3.826 -0.590) 4.351 15.581 ( 0.271 -3.460 -0.974) 3.604 15.605 ( -5.116 -0.250 2.809) 5.842 16.002 ( 13.024 5.109 -1.913) 14.120 16.343 ( -4.763 -3.844 -0.362) 6.131 16.671 ( -2.466 2.473 -3.105) 4.673 16.795 ( 2.500 4.086 -0.114) 4.791 17.123 ( 0.270 -3.354 -1.076) 3.533 17.658 ( 0.542 -0.068 3.942) 3.980 17.824 ( -1.043 0.884 -1.656) 2.148 20.758 ( -0.505 -6.291 -0.079) 6.312 20.852 ( 0.311 6.731 0.137) 6.739 21.464 ( 0.107 -1.655 1.282) 2.097 21.558 ( 0.764 -4.613 -1.683) 4.969 21.850 ( -0.499 3.477 -1.502) 3.820 22.342 ( 0.217 1.797 1.072) 2.104 22.661 ( -0.144 0.053 2.033) 2.039 23.181 ( -0.441 0.734 1.201) 1.475 25.824 ( 0.044 0.222 -0.447) 0.501 26.758 ( -0.038 -7.908 -4.086) 8.902 28.198 ( 0.018 -6.431 -6.774) 9.341 29.527 ( 2.404 7.284 -9.858) 12.491 30.227 ( -1.926 1.997 4.788) 5.534 30.548 ( 3.169 3.239 3.178) 5.535 30.789 ( -7.206 -1.880 -3.242) 8.122 31.090 ( 6.704 -3.645 -7.702) 10.842 31.313 ( 1.512 -0.366 -0.695) 1.703 31.779 ( 1.083 4.964 -2.802) 5.802 31.830 ( -0.335 -5.931 -2.386) 6.402 32.219 ( -2.204 2.218 -0.132) 3.130 32.274 ( 1.743 0.167 0.665) 1.872 32.867 ( -1.469 -0.880 -3.524) 3.918 33.134 ( 2.002 3.158 -2.508) 4.502 33.306 ( 2.115 -2.809 -9.469) 10.100 35.183 ( -1.624 -6.382 7.766) 10.182 35.308 ( -1.401 7.487 7.915) 10.985 36.319 ( 0.681 -8.636 2.193) 8.936 36.362 ( -2.475 7.400 6.714) 10.294 37.273 ( -5.708 -6.119 4.697) 9.596 37.447 ( 5.936 4.409 -4.975) 8.912 38.096 ( 1.542 -8.016 4.186) 9.174 38.491 ( -1.898 10.743 2.480) 11.188 ======================= Grid point 120 (67/78) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -24.856 0.000 0.697) 24.866 1.670 ( -4.690 0.000 4.157) 6.267 1.821 ( 6.080 -0.000 -8.216) 10.221 2.105 ( -1.618 0.000 3.025) 3.431 2.133 ( -7.484 0.000 -9.609) 12.180 2.402 ( 1.081 -0.000 -1.185) 1.604 2.569 ( -2.788 0.000 10.523) 10.886 2.760 ( 1.694 -0.000 -5.064) 5.340 2.977 ( 4.461 -0.000 10.057) 11.002 3.089 ( -5.640 0.000 -0.437) 5.657 3.317 ( 6.261 -0.000 4.225) 7.553 3.436 ( 12.903 -0.000 9.445) 15.990 3.550 ( -4.405 0.000 3.698) 5.751 3.585 ( 11.364 -0.000 19.901) 22.917 3.740 ( 1.554 -0.000 -2.115) 2.625 3.776 ( 8.145 -0.000 8.229) 11.578 3.918 ( -1.106 0.000 -1.861) 2.165 3.991 ( -6.963 0.000 -23.207) 24.229 4.493 ( 4.003 -0.000 7.011) 8.074 4.505 ( -2.646 0.000 -1.252) 2.927 4.671 ( -1.685 0.000 4.338) 4.654 4.743 ( -21.386 0.000 3.359) 21.648 5.226 ( 1.587 -0.000 -8.908) 9.049 5.382 ( -2.991 0.000 -6.017) 6.720 5.428 ( -1.569 0.000 7.479) 7.642 5.526 ( -3.871 0.000 11.795) 12.414 6.053 ( -6.808 0.000 3.930) 7.860 6.378 ( 9.871 -0.000 -6.083) 11.594 6.506 ( 20.086 -0.000 8.587) 21.844 6.642 ( 3.990 -0.000 -2.158) 4.536 6.685 ( -2.650 0.000 5.088) 5.737 6.795 ( 0.217 -0.000 4.271) 4.277 6.908 ( -2.848 0.000 4.368) 5.214 7.122 ( -2.070 0.000 4.349) 4.816 7.153 ( -0.768 0.000 2.839) 2.941 7.153 ( -0.706 0.000 0.242) 0.747 7.403 ( -6.861 0.000 -4.220) 8.055 7.704 ( -2.062 0.000 1.945) 2.835 7.958 ( 0.289 -0.000 -6.630) 6.636 8.253 ( 3.077 -0.000 0.122) 3.079 8.277 ( -14.037 0.000 3.339) 14.429 8.723 ( 6.566 -0.000 -10.514) 12.395 9.047 ( 1.793 -0.000 4.653) 4.987 9.336 ( 0.638 -0.000 2.952) 3.020 9.636 ( 1.276 -0.000 -6.514) 6.638 9.691 ( 2.663 -0.000 -1.164) 2.906 9.772 ( -2.381 0.000 4.883) 5.433 10.008 ( 1.477 -0.000 -4.515) 4.751 10.256 ( 1.182 -0.000 -1.990) 2.314 10.291 ( -2.213 0.000 0.428) 2.254 10.750 ( -1.017 0.000 -4.730) 4.838 10.836 ( 1.481 -0.000 -1.146) 1.873 11.785 ( 0.718 -0.000 -1.506) 1.668 11.967 ( 2.380 -0.000 -2.346) 3.342 11.989 ( 2.356 -0.000 2.133) 3.178 12.810 ( -1.478 0.000 -2.124) 2.588 13.183 ( -1.226 0.000 -0.956) 1.555 13.207 ( -1.450 0.000 0.239) 1.469 13.380 ( 1.787 -0.000 -3.736) 4.142 13.501 ( 3.977 -0.000 7.563) 8.545 14.004 ( -0.482 0.000 4.729) 4.753 14.165 ( 5.865 -0.000 -2.539) 6.391 14.288 ( 1.103 -0.000 1.217) 1.642 14.496 ( -0.016 0.000 0.918) 0.919 14.653 ( -6.782 0.000 -0.145) 6.784 15.135 ( -4.062 0.000 -3.197) 5.169 15.452 ( 1.680 -0.000 -3.100) 3.526 15.579 ( -13.067 0.000 -1.410) 13.143 15.677 ( 4.154 -0.000 3.318) 5.316 16.113 ( 13.049 -0.000 -1.874) 13.183 16.264 ( -4.647 0.000 1.821) 4.991 16.704 ( -0.484 0.000 -2.577) 2.622 16.985 ( -3.116 0.000 -2.047) 3.729 16.986 ( 3.028 -0.000 0.092) 3.029 17.640 ( 1.401 -0.000 7.716) 7.843 17.857 ( -1.778 0.000 -5.152) 5.450 20.644 ( -0.615 0.000 -0.750) 0.970 21.009 ( -0.115 0.000 0.096) 0.150 21.374 ( 1.384 -0.000 3.206) 3.492 21.448 ( -0.276 0.000 -2.625) 2.640 21.922 ( -0.797 0.000 -2.041) 2.191 22.413 ( 1.638 -0.000 1.024) 1.932 22.641 ( 0.350 -0.000 1.599) 1.637 23.231 ( -1.106 0.000 1.291) 1.699 25.824 ( 0.135 -0.000 -0.213) 0.252 26.631 ( -2.160 0.000 -4.409) 4.910 28.026 ( -2.128 0.000 -2.613) 3.370 29.623 ( 4.588 -0.000 -9.153) 10.238 30.323 ( -8.918 0.000 6.711) 11.161 30.541 ( -4.902 0.000 0.651) 4.945 30.908 ( 2.742 -0.000 -1.319) 3.043 30.935 ( 11.139 -0.000 -10.655) 15.414 31.308 ( 0.245 -0.000 -1.036) 1.064 31.707 ( 1.310 -0.000 -0.255) 1.334 31.867 ( 3.002 -0.000 -3.138) 4.342 32.250 ( -1.235 0.000 0.774) 1.457 32.294 ( -4.171 0.000 0.026) 4.171 32.830 ( 1.663 -0.000 -7.553) 7.734 33.176 ( -1.867 0.000 -3.797) 4.231 33.286 ( 5.099 -0.000 -6.323) 8.123 35.068 ( -1.493 0.000 7.537) 7.683 35.467 ( -1.544 0.000 8.342) 8.484 36.138 ( 0.201 -0.000 3.404) 3.409 36.522 ( -3.832 0.000 7.221) 8.174 37.133 ( -5.207 0.000 4.301) 6.754 37.553 ( 9.230 -0.000 -5.861) 10.934 37.923 ( 2.212 -0.000 3.803) 4.400 38.701 ( -1.943 0.000 1.086) 2.226 ======================= Grid point 121 (68/78) ======================= q-point: (-0.20 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -2.552 -1.213 18.746) 18.958 1.731 ( 6.070 -3.554 4.360) 8.276 1.873 ( -10.154 -7.852 1.350) 12.907 2.117 ( 0.991 -1.426 -0.244) 1.753 2.143 ( -2.297 -9.688 -3.502) 10.555 2.401 ( 3.732 -0.597 -4.210) 5.658 2.679 ( -2.121 -7.206 17.603) 19.139 2.779 ( -4.626 -3.959 -5.719) 8.353 2.918 ( 1.270 3.889 1.016) 4.216 3.104 ( -4.936 -5.216 -3.397) 7.944 3.302 ( -0.079 5.712 3.838) 6.882 3.386 ( -7.483 4.658 6.245) 10.803 3.586 ( 3.887 4.033 3.036) 6.371 3.672 ( -1.614 1.853 -4.583) 5.201 3.814 ( 3.973 -0.575 -0.670) 4.070 3.845 ( -0.466 -6.342 5.194) 8.211 3.981 ( 9.630 -0.707 5.341) 11.034 4.058 ( 16.543 -5.489 -4.569) 18.019 4.341 ( -9.792 4.413 -1.606) 10.860 4.470 ( -10.339 6.159 1.041) 12.080 4.678 ( 3.726 -6.639 8.859) 11.680 4.704 ( -3.495 -5.137 -1.895) 6.496 5.184 ( 0.354 4.976 -9.811) 11.007 5.273 ( -3.864 2.578 -6.369) 7.883 5.458 ( 1.769 -1.318 10.562) 10.790 5.533 ( -0.960 0.055 13.498) 13.532 6.022 ( -5.828 -3.040 9.323) 11.407 6.351 ( -0.242 6.519 0.818) 6.574 6.539 ( -2.323 8.342 2.203) 8.935 6.704 ( -0.056 -0.214 -0.403) 0.459 6.772 ( 6.112 -1.016 -7.402) 9.653 6.845 ( 4.981 1.883 5.337) 7.539 6.942 ( 2.831 -0.954 1.515) 3.349 7.052 ( 6.939 3.104 7.925) 10.982 7.143 ( -1.595 -0.300 3.407) 3.774 7.199 ( -3.003 -1.344 1.882) 3.791 7.334 ( -1.632 -5.997 -3.400) 7.085 7.604 ( -4.005 6.192 2.593) 7.817 7.936 ( -7.449 -5.648 -9.751) 13.508 8.140 ( -8.452 3.174 1.717) 9.190 8.267 ( 0.958 1.875 2.155) 3.012 8.710 ( 4.561 5.476 -7.377) 10.257 9.076 ( -1.655 -3.201 -0.020) 3.604 9.259 ( 1.015 8.867 2.186) 9.189 9.717 ( -0.185 -1.558 1.927) 2.485 9.742 ( 2.768 -1.134 -1.064) 3.175 9.787 ( 2.002 -7.021 -0.905) 7.357 10.012 ( 0.904 -0.724 -3.930) 4.097 10.213 ( -2.260 4.850 -0.493) 5.374 10.259 ( -0.465 -0.133 -3.801) 3.831 10.638 ( -8.852 1.955 -9.316) 12.998 10.893 ( 7.347 1.722 2.563) 7.970 11.814 ( 0.820 -1.686 -0.682) 1.995 12.003 ( 8.102 3.770 2.772) 9.357 12.078 ( 3.837 -4.365 1.384) 5.975 12.715 ( -8.408 1.074 -6.177) 10.488 13.089 ( 0.117 3.011 0.828) 3.125 13.366 ( 0.310 -8.322 -0.765) 8.363 13.433 ( 4.169 -1.939 -1.174) 4.745 13.576 ( 5.638 -1.886 4.995) 7.765 14.025 ( 0.067 -1.428 3.386) 3.675 14.265 ( 6.707 0.062 -2.046) 7.013 14.343 ( 5.474 -4.572 2.331) 7.503 14.501 ( -1.262 1.247 1.747) 2.490 14.579 ( -5.569 -2.844 1.310) 6.388 15.011 ( -8.702 3.488 -5.268) 10.754 15.441 ( -8.846 -0.531 -1.376) 8.968 15.529 ( 4.036 -4.128 -0.486) 5.793 15.686 ( 1.250 3.343 2.908) 4.604 16.183 ( -3.863 1.057 -0.039) 4.005 16.271 ( 9.775 0.390 -0.507) 9.796 16.645 ( -4.694 1.068 -5.620) 7.400 16.882 ( -2.004 4.670 -0.533) 5.110 17.090 ( 3.959 -3.031 0.720) 5.038 17.682 ( 1.867 -0.247 6.303) 6.579 17.807 ( -2.909 0.748 -4.306) 5.250 20.667 ( -0.507 -3.726 -0.141) 3.763 20.959 ( 0.122 5.332 0.384) 5.347 21.427 ( 0.143 -2.892 1.710) 3.363 21.486 ( 1.616 -4.658 -1.370) 5.117 21.881 ( -1.853 2.231 -2.171) 3.622 22.403 ( 1.254 3.510 0.423) 3.751 22.653 ( -0.369 -0.961 1.077) 1.490 23.207 ( -0.339 1.994 1.967) 2.822 25.824 ( -0.047 -0.112 -0.443) 0.459 26.675 ( 4.419 -3.573 0.651) 5.720 28.074 ( 0.990 -6.810 -1.768) 7.105 29.578 ( -3.422 2.709 -14.081) 14.742 30.233 ( -4.304 1.332 5.894) 7.418 30.505 ( -6.266 -2.654 3.324) 7.573 30.868 ( 7.528 7.486 -3.402) 11.149 31.092 ( 6.340 -3.390 -7.796) 10.605 31.313 ( 0.721 -1.024 -0.992) 1.598 31.729 ( -2.222 -3.049 -3.370) 5.058 31.893 ( 6.153 3.614 -2.385) 7.524 32.204 ( -4.058 1.130 0.545) 4.247 32.269 ( -1.565 -1.782 0.775) 2.494 32.838 ( 0.892 -0.553 -4.922) 5.033 33.144 ( -1.963 -0.637 -3.593) 4.144 33.327 ( 5.504 1.401 -7.630) 9.511 35.098 ( -1.500 -3.710 7.679) 8.659 35.418 ( -1.691 5.448 7.943) 9.779 36.195 ( -1.105 -6.294 3.073) 7.091 36.464 ( -0.908 5.268 7.004) 8.810 37.129 ( -3.803 -4.544 4.616) 7.511 37.605 ( 8.189 5.064 -6.374) 11.547 38.017 ( 2.982 -6.296 3.611) 7.847 38.598 ( -5.720 6.835 0.914) 8.960 ======================= Grid point 126 (69/78) ======================= q-point: (-0.20 -0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 14.036 -0.000 29.364) 32.546 1.732 ( 1.618 -0.000 -5.554) 5.785 1.765 ( -5.376 0.000 -5.905) 7.985 1.971 ( -0.691 0.000 10.189) 10.212 2.124 ( 0.895 -0.000 1.105) 1.422 2.410 ( -1.570 0.000 -2.047) 2.579 2.544 ( -7.292 0.000 13.416) 15.269 2.768 ( -2.044 0.000 -6.581) 6.892 2.920 ( -4.025 0.000 -2.794) 4.900 2.985 ( 0.588 -0.000 -1.335) 1.458 3.295 ( -13.412 0.000 2.040) 13.566 3.358 ( 0.440 -0.000 4.482) 4.504 3.573 ( -9.383 0.000 -7.614) 12.084 3.694 ( -1.415 0.000 -1.736) 2.240 3.808 ( 2.449 -0.000 11.204) 11.469 3.878 ( 8.225 -0.000 1.744) 8.408 4.066 ( -4.346 0.000 10.337) 11.214 4.223 ( 15.451 -0.000 -8.611) 17.689 4.256 ( -1.571 0.000 6.453) 6.642 4.548 ( 0.162 -0.000 -3.956) 3.960 4.581 ( 4.680 -0.000 -5.656) 7.341 4.729 ( 8.104 -0.000 7.597) 11.108 5.185 ( -9.039 0.000 -7.812) 11.947 5.227 ( 1.714 -0.000 -9.158) 9.317 5.529 ( 8.585 -0.000 14.032) 16.449 5.563 ( -0.270 0.000 14.701) 14.704 5.953 ( -6.045 0.000 14.455) 15.668 6.384 ( -0.429 0.000 -4.434) 4.454 6.583 ( -6.559 0.000 2.991) 7.209 6.672 ( -0.636 0.000 -3.250) 3.312 6.834 ( 2.940 -0.000 -6.162) 6.827 6.893 ( -0.212 0.000 4.722) 4.727 6.924 ( -8.016 0.000 0.172) 8.018 7.082 ( -8.352 0.000 3.272) 8.970 7.131 ( 0.035 -0.000 0.592) 0.593 7.173 ( -1.099 0.000 3.920) 4.071 7.355 ( 16.890 -0.000 3.012) 17.156 7.660 ( -15.260 0.000 -4.361) 15.871 7.680 ( 0.021 -0.000 3.185) 3.185 8.109 ( -2.496 0.000 0.360) 2.522 8.323 ( 2.378 -0.000 -2.976) 3.809 8.804 ( 3.976 -0.000 -7.921) 8.864 9.025 ( -0.744 0.000 -0.721) 1.035 9.346 ( -0.641 0.000 1.962) 2.064 9.730 ( -1.990 0.000 2.637) 3.304 9.731 ( 5.325 -0.000 0.230) 5.330 9.770 ( 3.622 -0.000 -1.484) 3.914 9.990 ( -1.418 0.000 -4.291) 4.519 10.211 ( -2.923 0.000 -3.587) 4.627 10.242 ( -1.237 0.000 -1.927) 2.290 10.518 ( -9.124 0.000 -9.818) 13.403 10.991 ( 4.942 -0.000 1.674) 5.218 11.844 ( 4.270 -0.000 0.803) 4.345 12.098 ( 6.402 -0.000 3.217) 7.165 12.188 ( 10.424 -0.000 3.786) 11.091 12.567 ( -11.603 0.000 -8.267) 14.247 13.115 ( -6.482 0.000 -2.598) 6.983 13.184 ( -1.933 0.000 -1.285) 2.321 13.605 ( 16.043 -0.000 3.567) 16.435 13.623 ( 4.212 -0.000 3.115) 5.239 14.039 ( 2.214 -0.000 3.974) 4.549 14.298 ( 0.156 -0.000 -1.107) 1.118 14.414 ( -11.063 0.000 0.183) 11.065 14.426 ( 12.104 -0.000 1.754) 12.231 14.597 ( 7.517 -0.000 4.625) 8.826 14.903 ( -10.098 0.000 -5.865) 11.678 15.347 ( -5.548 0.000 -0.294) 5.556 15.551 ( 5.086 -0.000 0.152) 5.088 15.718 ( -1.195 0.000 1.390) 1.833 16.061 ( -12.627 0.000 0.641) 12.643 16.451 ( 14.460 -0.000 -1.780) 14.569 16.587 ( -3.931 0.000 -5.669) 6.898 16.863 ( -6.417 0.000 -1.066) 6.505 17.132 ( 5.508 -0.000 1.441) 5.693 17.723 ( 2.763 -0.000 6.320) 6.898 17.759 ( -4.222 0.000 -4.943) 6.500 20.633 ( -0.041 0.000 0.034) 0.053 21.006 ( -0.174 0.000 0.363) 0.402 21.403 ( -0.501 0.000 1.756) 1.826 21.465 ( 2.424 -0.000 -0.688) 2.520 21.868 ( -2.254 0.000 -2.350) 3.256 22.453 ( 1.119 -0.000 -0.764) 1.355 22.636 ( -1.092 0.000 0.400) 1.163 23.232 ( 0.452 -0.000 2.940) 2.975 25.819 ( -0.329 0.000 -0.638) 0.717 26.759 ( 11.894 -0.000 4.512) 12.721 28.036 ( 3.103 -0.000 1.776) 3.576 29.482 ( -8.963 0.000 -16.542) 18.814 30.204 ( -3.354 0.000 5.220) 6.204 30.420 ( -5.728 0.000 3.568) 6.749 31.045 ( 8.280 -0.000 -1.487) 8.412 31.107 ( 5.282 -0.000 -8.582) 10.077 31.308 ( 1.541 -0.000 -0.871) 1.770 31.670 ( -2.394 0.000 -3.541) 4.274 32.001 ( 6.668 -0.000 -4.106) 7.831 32.143 ( -7.414 0.000 0.744) 7.452 32.234 ( -0.200 0.000 0.460) 0.502 32.839 ( 1.460 -0.000 -4.726) 4.946 33.100 ( -2.634 0.000 -1.769) 3.173 33.391 ( 5.476 -0.000 -8.567) 10.168 35.068 ( -1.469 0.000 7.673) 7.812 35.463 ( -1.915 0.000 7.940) 8.167 36.125 ( -2.585 0.000 4.069) 4.821 36.531 ( 1.662 -0.000 6.015) 6.241 37.072 ( -0.759 0.000 2.894) 2.992 37.746 ( 8.296 -0.000 -6.973) 10.837 37.986 ( 0.934 -0.000 4.473) 4.569 38.568 ( -8.905 0.000 0.411) 8.915 ======================= Grid point 127 (70/78) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 -0.000 0.000) 0.000 1.563 ( 0.000 -0.000 0.000) 0.000 1.679 ( -0.000 0.000 0.000) 0.000 2.138 ( -0.000 0.000 -0.000) 0.000 2.139 ( 0.000 -0.000 0.000) 0.000 2.363 ( 0.000 -0.000 0.000) 0.000 2.624 ( -0.000 0.000 0.000) 0.000 2.921 ( 0.000 -0.000 0.000) 0.000 2.960 ( 0.000 -0.000 0.000) 0.000 2.985 ( 0.000 -0.000 0.000) 0.000 3.064 ( 0.000 -0.000 0.000) 0.000 3.214 ( 0.000 -0.000 0.000) 0.000 3.715 ( 0.000 -0.000 -0.000) 0.000 3.791 ( 0.000 -0.000 0.000) 0.000 3.880 ( -0.000 0.000 -0.000) 0.000 3.880 ( -0.000 0.000 0.000) 0.000 3.911 ( 0.000 -0.000 0.000) 0.000 4.174 ( 0.000 -0.000 0.000) 0.000 4.474 ( 0.000 -0.000 -0.000) 0.000 4.546 ( -0.000 0.000 0.000) 0.000 4.670 ( -0.000 0.000 0.000) 0.000 4.864 ( -0.000 0.000 0.000) 0.000 5.036 ( -0.000 0.000 0.000) 0.000 5.110 ( 0.000 -0.000 0.000) 0.000 5.705 ( 0.000 -0.000 0.000) 0.000 5.850 ( 0.000 -0.000 0.000) 0.000 6.295 ( 0.000 -0.000 0.000) 0.000 6.462 ( -0.000 0.000 -0.000) 0.000 6.505 ( -0.000 0.000 0.000) 0.000 6.529 ( 0.000 -0.000 0.000) 0.000 6.533 ( 0.000 -0.000 0.000) 0.000 6.659 ( 0.000 -0.000 0.000) 0.000 6.956 ( 0.000 -0.000 0.000) 0.000 6.983 ( 0.000 -0.000 0.000) 0.000 7.121 ( -0.000 0.000 0.000) 0.000 7.134 ( 0.000 -0.000 0.000) 0.000 7.527 ( 0.000 -0.000 0.000) 0.000 7.639 ( 0.000 -0.000 0.000) 0.000 7.895 ( 0.000 -0.000 0.000) 0.000 8.054 ( 0.000 -0.000 0.000) 0.000 8.138 ( -0.000 0.000 -0.000) 0.000 8.867 ( 0.000 -0.000 0.000) 0.000 9.012 ( 0.000 -0.000 0.000) 0.000 9.388 ( 0.000 -0.000 0.000) 0.000 9.728 ( 0.000 -0.000 0.000) 0.000 9.795 ( 0.000 -0.000 0.000) 0.000 9.900 ( 0.000 -0.000 0.000) 0.000 9.936 ( -0.000 0.000 0.000) 0.000 9.995 ( 0.000 -0.000 0.000) 0.000 10.209 ( 0.000 -0.000 0.000) 0.000 10.219 ( 0.000 -0.000 0.000) 0.000 11.067 ( 0.000 -0.000 0.000) 0.000 11.921 ( 0.000 -0.000 0.000) 0.000 12.279 ( 0.000 -0.000 0.000) 0.000 12.296 ( -0.000 0.000 0.000) 0.000 12.450 ( 0.000 -0.000 0.000) 0.000 12.900 ( -0.000 0.000 0.000) 0.000 13.043 ( 0.000 -0.000 0.000) 0.000 13.697 ( 0.000 -0.000 0.000) 0.000 13.918 ( 0.000 -0.000 0.000) 0.000 14.116 ( 0.000 -0.000 0.000) 0.000 14.248 ( 0.000 -0.000 -0.000) 0.000 14.308 ( 0.000 -0.000 0.000) 0.000 14.603 ( 0.000 -0.000 0.000) 0.000 14.689 ( -0.000 0.000 0.000) 0.000 14.917 ( 0.000 -0.000 0.000) 0.000 15.305 ( 0.000 -0.000 0.000) 0.000 15.617 ( -0.000 0.000 0.000) 0.000 15.677 ( -0.000 0.000 0.000) 0.000 15.825 ( 0.000 -0.000 0.000) 0.000 16.459 ( 0.000 -0.000 0.000) 0.000 16.656 ( 0.000 -0.000 0.000) 0.000 16.732 ( -0.000 0.000 0.000) 0.000 17.212 ( 0.000 -0.000 0.000) 0.000 17.616 ( 0.000 -0.000 0.000) 0.000 17.847 ( 0.000 -0.000 0.000) 0.000 20.637 ( 0.000 -0.000 0.000) 0.000 21.012 ( 0.000 -0.000 0.000) 0.000 21.403 ( 0.000 -0.000 0.000) 0.000 21.508 ( 0.000 -0.000 0.000) 0.000 21.811 ( 0.000 -0.000 0.000) 0.000 22.435 ( 0.000 -0.000 0.000) 0.000 22.614 ( 0.000 -0.000 0.000) 0.000 23.297 ( 0.000 -0.000 0.000) 0.000 25.801 ( 0.000 -0.000 0.000) 0.000 27.058 ( 0.000 -0.000 0.000) 0.000 28.181 ( 0.000 -0.000 0.000) 0.000 29.056 ( 0.000 -0.000 0.000) 0.000 30.245 ( 0.000 -0.000 0.000) 0.000 30.398 ( -0.000 0.000 0.000) 0.000 31.028 ( 0.000 -0.000 0.000) 0.000 31.150 ( 0.000 -0.000 0.000) 0.000 31.346 ( 0.000 -0.000 0.000) 0.000 31.562 ( 0.000 -0.000 0.000) 0.000 32.039 ( 0.000 -0.000 0.000) 0.000 32.050 ( -0.000 0.000 0.000) 0.000 32.220 ( 0.000 -0.000 0.000) 0.000 32.821 ( -0.000 0.000 0.000) 0.000 33.060 ( -0.000 0.000 0.000) 0.000 33.331 ( 0.000 -0.000 0.000) 0.000 35.147 ( 0.000 -0.000 0.000) 0.000 35.536 ( -0.000 0.000 0.000) 0.000 36.135 ( 0.000 -0.000 0.000) 0.000 36.642 ( -0.000 0.000 0.000) 0.000 37.103 ( -0.000 0.000 0.000) 0.000 37.750 ( 0.000 -0.000 0.000) 0.000 38.056 ( -0.000 0.000 0.000) 0.000 38.439 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 129 (71/78) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 10.932 5.092 10.413) 15.933 1.693 ( -1.670 -12.960 10.936) 17.039 1.953 ( 16.922 -11.688 -11.737) 23.680 2.046 ( -13.694 -3.175 -4.841) 14.867 2.146 ( 0.333 -0.303 0.474) 0.654 2.330 ( -1.051 -0.023 -0.011) 1.051 2.650 ( 0.287 -0.375 -3.202) 3.237 2.915 ( 6.389 -0.520 -5.016) 8.139 2.943 ( 1.741 3.066 -0.057) 3.527 3.125 ( -1.934 -6.499 -0.175) 6.783 3.173 ( -2.353 -3.347 -3.985) 5.711 3.280 ( -0.289 -20.671 7.381) 21.951 3.633 ( 0.086 10.068 0.713) 10.093 3.708 ( -3.550 6.447 3.319) 8.074 3.768 ( -7.440 0.850 -9.618) 12.190 3.867 ( 6.792 4.337 2.535) 8.447 4.005 ( 4.412 -0.301 9.106) 10.123 4.157 ( 1.183 1.299 -4.046) 4.411 4.427 ( -2.360 4.175 4.865) 6.831 4.543 ( -2.884 1.079 -3.345) 4.546 4.639 ( -9.534 -6.327 -3.355) 11.924 4.931 ( 8.738 1.815 2.523) 9.274 4.971 ( -8.115 -1.907 -1.524) 8.474 5.105 ( 0.224 0.769 1.585) 1.776 5.700 ( 1.392 2.632 0.329) 2.995 5.781 ( -8.571 0.493 1.855) 8.783 6.262 ( -3.975 0.875 -1.726) 4.421 6.388 ( -0.676 -2.417 -12.838) 13.081 6.461 ( 1.778 7.540 5.528) 9.517 6.525 ( 2.235 2.794 2.477) 4.351 6.662 ( 0.811 -3.046 0.550) 3.200 6.794 ( 14.064 -1.786 8.385) 16.471 6.937 ( 0.591 4.080 -1.127) 4.274 6.991 ( 7.348 -0.905 -1.058) 7.479 7.112 ( -0.221 2.272 1.997) 3.033 7.141 ( 0.642 -2.094 1.099) 2.450 7.557 ( 1.830 -1.384 -2.491) 3.387 7.664 ( -0.554 -4.755 -0.008) 4.787 7.823 ( -9.915 0.510 -6.833) 12.052 7.995 ( 4.997 7.137 1.528) 8.846 8.211 ( 2.462 -2.596 2.836) 4.565 8.797 ( -6.708 3.069 0.066) 7.377 9.024 ( -1.725 -2.800 1.495) 3.613 9.323 ( -1.394 6.081 -0.999) 6.318 9.732 ( 2.653 1.126 -1.446) 3.224 9.785 ( -1.924 -0.387 0.844) 2.136 9.915 ( -2.234 -2.910 -0.106) 3.670 9.958 ( -2.463 -5.554 -3.387) 6.956 10.052 ( 3.850 -1.411 5.551) 6.901 10.185 ( 1.831 3.759 -0.298) 4.192 10.289 ( 4.512 -3.869 2.491) 6.445 11.025 ( -0.965 3.864 -0.807) 4.064 11.876 ( -1.582 2.833 -0.674) 3.314 12.237 ( -2.617 9.423 -0.434) 9.789 12.275 ( -3.127 0.127 -2.778) 4.184 12.424 ( 0.813 -5.684 0.580) 5.771 12.955 ( 6.011 -0.592 2.003) 6.363 13.167 ( 3.738 -9.424 3.095) 10.600 13.681 ( -3.807 1.268 -0.866) 4.105 13.758 ( -4.184 7.651 -1.151) 8.796 14.116 ( -2.022 -0.151 -0.479) 2.084 14.274 ( 3.842 1.234 -0.069) 4.036 14.404 ( -2.761 -7.480 -2.495) 8.355 14.611 ( -2.170 -4.303 -0.626) 4.860 14.659 ( 0.836 2.954 2.185) 3.768 14.845 ( -3.956 3.501 -3.831) 6.525 15.348 ( 0.238 -4.363 -0.546) 4.404 15.605 ( -4.056 -0.441 1.011) 4.203 15.700 ( 2.450 -0.648 0.392) 2.564 15.900 ( 12.206 0.095 0.586) 12.221 16.450 ( -0.839 1.900 2.146) 2.987 16.566 ( -9.596 -0.364 1.100) 9.666 16.779 ( 6.779 1.969 -2.300) 7.424 17.190 ( -1.560 1.148 -0.427) 1.983 17.638 ( 0.851 -1.270 2.338) 2.794 17.838 ( -0.227 0.605 -1.851) 1.961 20.665 ( 0.178 -3.394 -0.251) 3.408 20.972 ( -0.167 4.669 -0.125) 4.673 21.427 ( -0.285 -2.851 0.486) 2.906 21.532 ( -0.900 -3.205 -0.495) 3.366 21.810 ( 1.264 1.055 0.013) 1.646 22.404 ( -0.388 3.131 0.679) 3.227 22.634 ( 0.425 -1.808 0.702) 1.986 23.264 ( -0.523 3.093 -0.860) 3.253 25.807 ( 0.272 -0.436 0.249) 0.572 26.958 ( -4.900 5.972 -4.650) 9.017 28.176 ( -1.572 -1.460 -2.970) 3.663 29.161 ( 3.782 -6.900 4.853) 9.245 30.256 ( 3.390 0.736 -2.504) 4.278 30.435 ( 3.204 -2.431 -0.384) 4.040 30.981 ( -6.463 4.026 3.832) 8.525 31.088 ( -1.390 3.266 -2.031) 4.090 31.326 ( -0.501 0.200 0.288) 0.612 31.600 ( 0.530 -2.959 1.235) 3.250 31.982 ( -1.523 4.100 -0.703) 4.430 32.113 ( 3.263 -2.824 -0.529) 4.348 32.245 ( 1.196 -1.892 -0.127) 2.242 32.826 ( -1.123 -1.319 -0.122) 1.736 33.066 ( 0.418 -0.429 1.199) 1.340 33.302 ( -0.773 2.720 -0.707) 2.914 35.179 ( -0.053 -3.904 -0.058) 3.905 35.488 ( 0.171 5.487 0.178) 5.493 36.189 ( 0.131 -5.811 1.236) 5.942 36.586 ( 0.350 6.132 -2.548) 6.649 37.156 ( 2.008 -4.808 -2.355) 5.718 37.637 ( -5.819 7.176 3.703) 9.954 38.130 ( -3.497 -8.610 1.030) 9.350 38.435 ( 6.195 4.963 0.131) 7.938 ======================= Grid point 130 (72/78) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 11.058 1.315 16.498) 19.905 1.865 ( 4.163 -1.464 -3.063) 5.372 1.899 ( -12.087 -5.823 -7.898) 15.568 2.138 ( -1.755 -1.136 0.220) 2.102 2.341 ( 1.017 -2.319 -2.484) 3.547 2.378 ( 15.258 -10.186 -0.849) 18.366 2.644 ( -5.689 -3.106 -1.671) 6.694 2.827 ( -3.811 9.552 -0.828) 10.318 2.985 ( 2.233 -0.098 -3.634) 4.266 3.104 ( -3.519 -0.422 0.339) 3.560 3.264 ( 1.636 -5.360 2.425) 6.107 3.506 ( 0.234 1.724 -0.008) 1.740 3.596 ( -0.999 -8.262 -4.259) 9.349 3.627 ( 0.926 4.200 13.346) 14.022 3.676 ( -1.766 -3.062 -9.718) 10.341 3.846 ( 0.023 5.199 3.885) 6.490 4.023 ( -3.152 -2.256 0.547) 3.914 4.189 ( 14.171 5.568 -3.032) 15.524 4.322 ( -11.256 -0.591 5.273) 12.444 4.476 ( -1.274 1.408 -4.503) 4.887 4.628 ( -2.549 -2.388 0.249) 3.501 4.930 ( -2.343 -4.051 -1.463) 4.903 5.027 ( 4.468 0.275 1.915) 4.869 5.091 ( -2.268 0.675 1.012) 2.573 5.617 ( -2.994 4.506 0.485) 5.432 5.710 ( -1.545 0.374 0.320) 1.622 6.233 ( -0.933 -0.468 0.790) 1.309 6.372 ( -0.039 1.666 -1.398) 2.175 6.383 ( 2.233 3.955 -3.547) 5.763 6.505 ( 1.005 2.178 2.126) 3.205 6.700 ( -0.801 -1.605 1.027) 2.067 6.848 ( 1.471 1.683 -2.023) 3.014 6.929 ( 0.872 0.122 1.261) 1.539 7.079 ( -0.363 0.912 0.477) 1.091 7.147 ( 3.892 -1.816 1.393) 4.516 7.246 ( 10.056 -3.257 3.874) 11.258 7.553 ( -0.406 3.688 -5.127) 6.329 7.683 ( -7.562 -1.099 -1.277) 7.747 7.785 ( -0.181 -8.493 3.230) 9.088 7.940 ( 2.970 6.255 -2.158) 7.253 8.253 ( 0.687 0.108 0.000) 0.695 8.672 ( -4.434 1.898 0.576) 4.857 9.072 ( -0.088 -3.943 2.582) 4.715 9.190 ( -1.854 6.069 -2.263) 6.737 9.747 ( 2.851 0.834 -1.820) 3.484 9.771 ( -2.409 -0.730 1.416) 2.888 9.934 ( -1.259 -1.721 -0.079) 2.134 10.025 ( -1.091 -5.318 0.041) 5.429 10.092 ( 0.638 2.710 0.690) 2.868 10.156 ( 2.742 1.636 0.589) 3.247 10.414 ( 2.537 -3.639 1.807) 4.790 10.943 ( -0.750 3.353 -0.713) 3.509 11.840 ( -0.260 -0.477 -0.204) 0.580 12.033 ( -3.277 6.981 -1.199) 7.805 12.228 ( -1.994 0.400 -1.601) 2.589 12.567 ( 2.699 -4.667 1.475) 5.590 13.047 ( 4.379 -1.565 1.321) 4.834 13.357 ( 4.024 -5.249 3.400) 7.437 13.506 ( -6.378 5.556 -3.094) 9.007 13.706 ( -1.239 -0.365 0.085) 1.295 14.093 ( -0.921 0.225 -0.222) 0.973 14.257 ( -0.636 1.885 -1.176) 2.311 14.448 ( 3.066 -0.628 -0.453) 3.162 14.620 ( -0.503 1.664 2.803) 3.298 14.633 ( -9.204 -3.894 -4.161) 10.825 14.806 ( 4.042 0.417 -0.015) 4.064 15.415 ( 0.090 -2.821 -1.321) 3.116 15.564 ( -2.075 0.431 1.408) 2.544 15.724 ( 1.019 0.255 -0.156) 1.062 16.072 ( 11.438 -1.386 0.060) 11.521 16.351 ( -7.532 2.608 2.104) 8.244 16.519 ( -1.944 -1.059 -0.297) 2.233 16.805 ( 2.868 1.195 -0.786) 3.205 17.154 ( -1.025 0.740 -0.187) 1.278 17.672 ( 0.525 -0.830 1.725) 1.985 17.820 ( -0.216 0.510 -1.489) 1.588 20.748 ( 0.487 -6.217 -0.157) 6.238 20.867 ( -0.559 7.061 -0.109) 7.084 21.472 ( -0.052 -1.974 0.184) 1.983 21.569 ( -0.766 -2.024 -0.093) 2.166 21.807 ( 0.916 0.773 -0.066) 1.200 22.352 ( -0.248 2.056 0.365) 2.103 22.671 ( 0.328 -1.420 0.503) 1.542 23.206 ( -0.355 2.183 -0.567) 2.283 25.818 ( 0.222 -0.324 0.202) 0.442 26.810 ( -2.814 3.320 -2.758) 5.152 28.181 ( -0.740 -1.128 -1.395) 1.941 29.301 ( 1.660 -3.522 2.429) 4.589 30.281 ( 2.369 0.322 -1.459) 2.801 30.555 ( 7.173 -5.005 -2.219) 9.024 30.775 ( -10.152 7.103 3.689) 12.928 31.052 ( 0.059 0.794 -0.602) 0.998 31.331 ( 0.287 -0.321 0.085) 0.439 31.660 ( 0.477 -2.728 1.237) 3.033 31.889 ( -1.419 3.542 -1.015) 3.949 32.176 ( 1.218 -1.148 -0.231) 1.690 32.293 ( 1.365 -1.240 -0.076) 1.846 32.831 ( -0.986 -0.808 -0.083) 1.278 33.095 ( 0.873 -1.520 1.117) 2.079 33.236 ( -0.943 2.895 -0.789) 3.145 35.265 ( -0.139 -6.547 -0.178) 6.551 35.382 ( 0.208 7.344 0.257) 7.352 36.312 ( -0.049 -8.012 2.414) 8.368 36.462 ( 0.355 8.130 -3.202) 8.745 37.278 ( 3.932 -6.277 -4.262) 8.545 37.454 ( -5.816 7.050 4.981) 10.409 38.206 ( -3.622 -5.077 0.857) 6.295 38.428 ( 4.809 3.778 -0.060) 6.116 ======================= Grid point 134 (73/78) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 4.700 -0.000 16.001) 16.678 1.705 ( 8.177 -0.000 -0.314) 8.183 1.801 ( -8.572 0.000 -20.725) 22.427 2.046 ( 12.749 -0.000 -4.015) 13.367 2.144 ( 0.171 -0.000 -0.553) 0.579 2.354 ( 4.442 -0.000 3.202) 5.476 2.640 ( -5.321 0.000 0.636) 5.359 2.820 ( -4.699 0.000 -12.946) 13.772 2.984 ( 0.566 -0.000 -1.465) 1.570 2.990 ( -6.044 0.000 -2.659) 6.603 3.203 ( 2.507 -0.000 14.046) 14.268 3.225 ( 13.653 -0.000 8.358) 16.008 3.656 ( -4.111 0.000 -12.468) 13.128 3.709 ( -4.341 0.000 -0.806) 4.415 3.775 ( -1.542 0.000 12.846) 12.938 3.922 ( -1.674 0.000 -2.633) 3.120 4.064 ( -2.311 0.000 6.202) 6.618 4.248 ( 15.180 -0.000 -5.878) 16.278 4.369 ( -14.530 0.000 5.814) 15.650 4.477 ( -4.492 0.000 2.543) 5.162 4.517 ( 1.034 -0.000 -8.077) 8.142 4.825 ( -8.632 0.000 -1.443) 8.752 5.083 ( 10.363 -0.000 2.526) 10.666 5.123 ( -0.058 0.000 -0.136) 0.148 5.677 ( -8.275 0.000 -1.148) 8.355 5.736 ( 0.488 -0.000 -2.418) 2.466 6.267 ( -2.147 0.000 -14.388) 14.547 6.276 ( -0.321 0.000 4.306) 4.318 6.565 ( -2.318 0.000 16.565) 16.726 6.612 ( -2.377 0.000 2.971) 3.805 6.613 ( 6.048 -0.000 1.625) 6.262 6.919 ( 4.145 -0.000 1.888) 4.555 6.993 ( 1.563 -0.000 -3.975) 4.271 7.099 ( 7.327 -0.000 -1.340) 7.449 7.140 ( 5.473 -0.000 2.629) 6.072 7.146 ( 0.394 -0.000 2.515) 2.546 7.541 ( -10.459 0.000 -9.414) 14.072 7.598 ( 8.686 -0.000 1.041) 8.748 7.736 ( -2.787 0.000 -5.778) 6.415 8.167 ( 10.347 -0.000 -4.469) 11.271 8.226 ( 2.440 -0.000 8.803) 9.135 8.729 ( -8.676 0.000 0.240) 8.679 8.961 ( -3.240 0.000 4.331) 5.409 9.367 ( -1.108 0.000 -0.202) 1.127 9.749 ( -3.429 0.000 0.825) 3.527 9.784 ( 4.281 -0.000 -2.709) 5.067 9.807 ( -6.191 0.000 -6.625) 9.068 9.902 ( -0.353 0.000 4.351) 4.366 10.104 ( 4.477 -0.000 5.765) 7.299 10.238 ( 2.198 -0.000 -0.622) 2.285 10.366 ( 9.148 -0.000 4.856) 10.357 11.029 ( -3.028 0.000 -2.137) 3.707 11.867 ( -3.784 0.000 -1.586) 4.102 12.186 ( -7.446 0.000 -4.722) 8.817 12.261 ( -10.264 0.000 -3.920) 10.987 12.430 ( 10.395 -0.000 5.289) 11.663 13.066 ( 8.199 -0.000 2.427) 8.551 13.129 ( 5.086 -0.000 3.984) 6.461 13.634 ( -4.925 0.000 0.440) 4.945 13.700 ( -13.964 0.000 -5.893) 15.156 14.078 ( -2.021 0.000 -0.384) 2.057 14.275 ( -0.477 0.000 1.023) 1.129 14.432 ( 11.469 -0.000 -1.574) 11.576 14.475 ( -12.599 0.000 -2.007) 12.758 14.662 ( -4.762 0.000 -1.236) 4.920 14.869 ( 5.597 -0.000 -2.510) 6.134 15.335 ( 3.588 -0.000 0.972) 3.717 15.566 ( -3.270 0.000 -0.772) 3.360 15.730 ( 2.971 -0.000 0.145) 2.975 16.056 ( 13.259 -0.000 1.062) 13.301 16.416 ( -14.135 0.000 1.687) 14.235 16.489 ( 2.244 -0.000 3.741) 4.362 16.875 ( 6.296 -0.000 -2.523) 6.782 17.160 ( -4.146 0.000 -1.506) 4.411 17.653 ( 1.682 -0.000 5.040) 5.313 17.833 ( -0.380 0.000 -3.999) 4.017 20.638 ( 0.200 -0.000 -0.535) 0.571 21.012 ( 0.001 -0.000 -0.157) 0.157 21.396 ( -0.659 0.000 1.552) 1.686 21.483 ( -1.639 0.000 -1.667) 2.338 21.844 ( 2.405 -0.000 0.181) 2.411 22.428 ( -0.827 0.000 1.437) 1.658 22.628 ( 0.735 -0.000 1.249) 1.449 23.279 ( -0.934 0.000 -1.619) 1.869 25.808 ( 0.441 -0.000 0.406) 0.599 26.894 ( -9.792 0.000 -9.397) 13.572 28.114 ( -3.170 0.000 -6.056) 6.836 29.211 ( 9.126 -0.000 10.548) 13.947 30.318 ( 6.775 -0.000 -6.270) 9.231 30.460 ( 4.617 -0.000 -0.123) 4.618 30.953 ( -8.281 0.000 6.690) 10.645 31.055 ( -6.175 0.000 -2.856) 6.803 31.295 ( -1.789 0.000 0.529) 1.865 31.607 ( 2.553 -0.000 2.326) 3.454 31.976 ( -4.451 0.000 -1.011) 4.564 32.161 ( 7.308 -0.000 -1.014) 7.378 32.241 ( 1.306 -0.000 -0.573) 1.426 32.796 ( -1.795 0.000 -0.207) 1.807 33.073 ( 0.886 -0.000 1.996) 2.184 33.306 ( -1.940 0.000 -1.175) 2.268 35.146 ( -0.057 0.000 -0.052) 0.077 35.541 ( 0.328 -0.000 0.276) 0.429 36.144 ( 0.276 -0.000 1.831) 1.852 36.637 ( 0.558 -0.000 -4.821) 4.853 37.137 ( 3.275 -0.000 -3.585) 4.856 37.613 ( -9.786 0.000 6.485) 11.739 38.020 ( -3.033 0.000 1.351) 3.320 38.562 ( 7.367 -0.000 1.134) 7.454 ======================= Grid point 135 (74/78) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -8.081 0.833 -17.011) 18.851 1.740 ( 8.962 -7.773 7.952) 14.282 1.937 ( 6.149 -10.220 -7.005) 13.832 2.008 ( -5.882 2.537 -0.605) 6.435 2.218 ( -1.377 -5.178 -7.736) 9.411 2.396 ( -0.809 0.721 -5.411) 5.518 2.600 ( 3.098 -2.433 10.082) 10.824 2.894 ( -4.488 -9.842 -5.624) 12.192 2.978 ( 5.589 2.462 3.115) 6.856 3.023 ( 2.710 -5.748 1.206) 6.468 3.246 ( -0.510 2.920 11.584) 11.957 3.418 ( 6.646 -3.528 7.250) 10.449 3.576 ( -6.184 0.145 -6.281) 8.815 3.617 ( 1.145 1.820 -2.019) 2.950 3.747 ( -0.264 4.047 10.502) 11.258 3.879 ( -3.299 0.892 1.018) 3.566 3.978 ( -6.319 0.736 0.664) 6.396 4.165 ( -16.444 1.074 -2.466) 16.662 4.374 ( 3.449 2.050 -8.660) 9.544 4.533 ( 16.641 2.541 -3.456) 17.184 4.594 ( 3.986 -6.152 5.996) 9.470 4.803 ( -1.679 -5.478 -2.133) 6.114 5.080 ( -0.640 3.896 -0.671) 4.004 5.181 ( 7.869 2.814 2.418) 8.700 5.589 ( -5.841 -0.060 -2.242) 6.257 5.704 ( -1.367 1.233 -3.729) 4.159 6.196 ( -2.420 -0.896 -3.344) 4.224 6.351 ( 0.283 -3.274 -3.071) 4.498 6.496 ( -3.972 5.540 14.314) 15.854 6.555 ( -3.086 3.846 5.435) 7.339 6.702 ( 3.967 -1.115 1.557) 4.405 6.916 ( -0.618 3.749 -2.966) 4.820 6.969 ( 0.878 1.567 -1.377) 2.263 7.097 ( -0.833 3.069 1.108) 3.368 7.137 ( 0.340 -1.558 1.251) 2.027 7.284 ( 3.336 -4.495 0.076) 5.598 7.396 ( -8.900 -0.466 -9.397) 12.951 7.653 ( 1.256 2.971 -4.484) 5.523 7.788 ( 7.906 -3.071 4.502) 9.602 8.175 ( 7.249 8.656 1.909) 11.451 8.299 ( 4.877 1.181 -1.503) 5.238 8.635 ( -4.184 -0.325 -0.348) 4.211 9.000 ( 0.563 -4.551 6.646) 8.074 9.280 ( -1.629 7.435 -0.297) 7.617 9.720 ( -3.088 -1.028 1.081) 3.430 9.790 ( -3.544 -5.914 -6.138) 9.231 9.819 ( 1.738 -0.597 -2.024) 2.734 9.928 ( -0.753 -2.574 4.008) 4.823 10.169 ( 3.824 0.968 3.432) 5.229 10.231 ( 1.770 3.230 -0.698) 3.749 10.486 ( 9.248 0.804 5.531) 10.806 10.951 ( -5.084 2.475 -3.266) 6.530 11.817 ( -2.051 -0.555 -1.003) 2.350 12.061 ( -8.560 4.755 -3.250) 10.318 12.134 ( -6.235 -3.081 -3.741) 7.896 12.600 ( 9.885 -1.840 5.190) 11.315 13.096 ( 2.738 2.310 0.189) 3.587 13.316 ( 5.672 -8.775 4.187) 11.256 13.477 ( -10.057 3.686 -4.817) 11.744 13.613 ( -5.682 -3.671 -0.177) 6.767 14.067 ( -1.143 -0.924 -0.924) 1.736 14.239 ( -4.783 1.730 1.049) 5.193 14.386 ( -8.411 -6.176 -1.899) 10.607 14.537 ( 3.820 1.518 -2.042) 4.590 14.614 ( 1.499 -1.544 -1.569) 2.663 14.944 ( 9.027 2.699 1.000) 9.475 15.416 ( 6.501 -1.160 1.222) 6.716 15.534 ( -3.202 -1.952 -0.545) 3.789 15.741 ( 0.917 1.791 -2.450) 3.170 16.165 ( -1.554 3.268 1.367) 3.868 16.268 ( -3.650 -2.251 0.182) 4.292 16.541 ( 4.690 0.171 4.619) 6.585 16.891 ( 2.775 4.440 -1.754) 5.522 17.113 ( -4.091 -1.642 -1.635) 4.702 17.686 ( 1.387 0.056 5.117) 5.302 17.815 ( -0.377 0.160 -4.338) 4.358 20.670 ( 0.294 -3.683 -0.448) 3.722 20.965 ( -0.318 5.239 -0.150) 5.251 21.424 ( -0.120 -3.163 1.417) 3.468 21.491 ( -1.840 -3.814 -1.412) 4.464 21.858 ( 2.236 1.902 0.156) 2.940 22.395 ( -0.656 2.819 1.064) 3.083 22.653 ( 0.634 -1.482 1.069) 1.935 23.240 ( -0.749 2.588 -1.292) 2.988 25.817 ( 0.329 -0.259 0.298) 0.514 26.755 ( -7.508 -0.218 -7.422) 10.560 28.101 ( -2.378 -3.920 -4.403) 6.356 29.351 ( 7.866 -0.087 8.597) 11.653 30.352 ( 5.160 3.723 -5.744) 8.572 30.561 ( 6.894 -4.403 -2.577) 8.576 30.782 ( -9.742 6.602 5.718) 13.084 31.006 ( -5.466 -2.408 0.127) 5.975 31.300 ( -0.672 -1.401 0.319) 1.587 31.659 ( 3.050 -1.754 2.906) 4.564 31.899 ( -4.291 2.059 -2.237) 5.259 32.211 ( 3.768 1.659 -0.268) 4.126 32.282 ( 1.485 -1.578 -0.625) 2.255 32.795 ( -0.891 -2.227 -0.436) 2.438 33.095 ( 1.461 -0.264 2.043) 2.525 33.256 ( -2.625 2.025 -1.269) 3.550 35.177 ( -0.063 -3.838 -0.081) 3.839 35.496 ( 0.291 5.596 0.281) 5.610 36.202 ( 0.191 -5.693 1.964) 6.026 36.578 ( 0.401 6.063 -4.462) 7.538 37.217 ( 3.870 -5.258 -4.191) 7.758 37.481 ( -7.282 4.205 6.066) 10.368 38.041 ( -3.818 -6.414 1.485) 7.611 38.598 ( 5.510 5.674 1.027) 7.976 ======================= Grid point 136 (75/78) ======================= q-point: ( 0.60 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -9.036 4.794 -16.518) 19.428 1.877 ( 4.371 -1.757 -7.355) 8.735 2.044 ( -1.811 -8.000 6.307) 10.347 2.113 ( 0.506 -3.689 5.692) 6.802 2.255 ( -1.417 -4.703 -2.615) 5.565 2.299 ( -7.235 2.550 -2.441) 8.050 2.782 ( 10.032 -3.517 0.089) 10.632 2.916 ( 5.446 9.942 8.016) 13.884 2.965 ( -2.848 2.081 2.301) 4.211 3.113 ( 2.207 -5.100 1.323) 5.712 3.281 ( -0.153 -3.451 -3.239) 4.735 3.421 ( -7.962 2.321 7.795) 11.382 3.492 ( -1.667 -3.607 -13.620) 14.188 3.684 ( -3.343 -0.121 2.995) 4.490 3.759 ( 5.394 -2.370 2.194) 6.287 3.832 ( 1.756 4.245 12.579) 13.391 3.967 ( -0.777 -6.088 6.222) 8.739 4.044 ( -6.414 -2.996 -10.018) 12.267 4.337 ( -2.638 -3.637 -7.977) 9.155 4.586 ( 5.879 10.192 -0.433) 11.774 4.736 ( 9.363 -0.231 4.567) 10.420 4.930 ( -2.939 -4.722 -5.782) 8.023 5.006 ( 3.642 1.515 1.737) 4.310 5.185 ( 3.728 5.454 0.990) 6.681 5.555 ( -1.327 -2.904 -1.471) 3.515 5.699 ( 1.905 -2.479 -3.125) 4.420 6.209 ( -3.424 -4.701 1.702) 6.060 6.329 ( -0.473 2.304 -1.857) 2.997 6.403 ( 0.241 7.296 -0.673) 7.331 6.482 ( -4.825 -1.629 11.494) 12.571 6.735 ( 0.081 1.157 -0.708) 1.359 6.836 ( -2.429 1.426 -0.393) 2.844 6.955 ( 1.339 1.722 -1.092) 2.440 7.061 ( -0.681 0.618 -1.635) 1.876 7.099 ( -6.436 5.258 -2.878) 8.795 7.220 ( -1.705 2.597 -1.034) 3.274 7.448 ( 0.703 -6.101 0.686) 6.180 7.660 ( -0.056 -5.498 -3.828) 6.700 7.867 ( 1.627 3.085 3.436) 4.896 8.098 ( 5.074 9.775 1.088) 11.068 8.291 ( 1.971 3.456 0.555) 4.017 8.673 ( 3.412 -4.002 -1.679) 5.521 9.096 ( 0.715 -0.047 3.379) 3.454 9.158 ( -0.248 0.789 0.040) 0.828 9.710 ( -1.701 -0.769 0.990) 2.113 9.816 ( 2.250 1.372 -2.395) 3.561 9.865 ( -3.197 -6.829 -1.280) 7.648 9.990 ( -0.990 -5.643 1.111) 5.836 10.123 ( 1.047 7.063 -0.485) 7.156 10.204 ( 0.824 3.280 0.536) 3.424 10.536 ( 5.307 7.719 3.000) 9.836 10.867 ( -4.234 -3.012 -2.221) 5.651 11.847 ( 1.074 -0.577 0.304) 1.256 11.940 ( -3.310 -3.578 -1.240) 5.030 12.162 ( -2.083 -6.475 -1.015) 6.878 12.667 ( 3.565 5.741 1.663) 6.959 13.037 ( -3.745 3.548 -1.522) 5.379 13.365 ( -2.122 0.071 -1.318) 2.500 13.499 ( 4.394 -3.047 3.325) 6.296 13.637 ( -3.325 -6.560 -1.594) 7.526 14.077 ( -0.043 -1.613 -0.959) 1.877 14.193 ( -3.470 -2.791 1.447) 4.682 14.411 ( -1.682 -4.244 -0.085) 4.566 14.529 ( -2.170 -2.832 -1.515) 3.876 14.709 ( 5.626 -2.568 -0.050) 6.184 14.943 ( 4.690 8.955 0.966) 10.155 15.493 ( 5.436 2.233 2.895) 6.551 15.574 ( 0.948 -3.864 0.605) 4.025 15.699 ( 0.307 1.004 -5.519) 5.618 15.967 ( -13.533 4.672 1.572) 14.403 16.353 ( 3.141 -3.319 -1.302) 4.752 16.605 ( 6.291 1.429 3.365) 7.276 16.805 ( -2.490 4.794 -1.116) 5.516 17.119 ( -1.145 -2.967 -0.674) 3.251 17.692 ( 0.323 1.581 1.325) 2.088 17.811 ( 0.002 -0.812 -1.090) 1.359 20.759 ( 0.311 -6.556 -0.110) 6.564 20.854 ( -0.372 7.117 -0.025) 7.127 21.474 ( 0.095 -1.742 0.303) 1.771 21.544 ( -0.875 -4.239 -0.277) 4.337 21.835 ( 0.911 3.115 0.074) 3.246 22.350 ( -0.077 1.621 0.240) 1.641 22.679 ( 0.127 -0.442 0.251) 0.523 23.196 ( -0.187 1.068 -0.288) 1.122 25.820 ( -0.040 0.156 -0.041) 0.166 26.735 ( -1.792 -5.577 -1.763) 6.117 28.148 ( -0.888 -4.236 -1.435) 4.560 29.398 ( 3.503 4.926 3.116) 6.800 30.298 ( -0.168 4.453 -1.976) 4.874 30.575 ( -4.492 5.469 1.371) 7.209 30.772 ( 8.656 -6.876 -2.277) 11.286 30.987 ( -5.509 -2.932 1.920) 6.530 31.307 ( -1.085 -0.607 -0.003) 1.243 31.726 ( 3.164 1.577 2.145) 4.135 31.832 ( -2.417 -2.102 -2.148) 3.857 32.214 ( 1.930 2.611 0.331) 3.263 32.283 ( -1.836 0.291 -0.324) 1.887 32.838 ( 1.130 -2.121 -0.498) 2.455 33.107 ( -0.226 1.184 0.963) 1.543 33.207 ( -0.797 -0.539 -0.553) 1.110 35.262 ( -0.026 -6.514 -0.084) 6.515 35.387 ( 0.090 7.563 0.141) 7.565 36.324 ( 0.140 -8.048 1.491) 8.186 36.451 ( -0.082 8.370 -2.139) 8.639 37.337 ( -0.392 2.436 0.200) 2.475 37.376 ( 0.316 -5.047 0.021) 5.057 38.133 ( -2.191 -8.852 0.582) 9.138 38.514 ( 1.915 10.001 0.268) 10.186 ======================= Grid point 137 (76/78) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 -0.478 0.000) 0.478 1.933 ( 0.000 4.780 -0.000) 4.780 1.983 ( -0.000 7.653 0.000) 7.653 2.172 ( 0.000 0.513 -0.000) 0.513 2.173 ( -0.000 4.103 0.000) 4.103 2.328 ( 0.000 -2.994 0.000) 2.994 2.725 ( -0.000 9.722 0.000) 9.722 2.871 ( 0.000 -2.019 -0.000) 2.019 2.922 ( 0.000 4.153 0.000) 4.153 3.204 ( -0.000 4.308 0.000) 4.308 3.291 ( -0.000 5.349 0.000) 5.349 3.415 ( 0.000 -15.683 0.000) 15.683 3.547 ( -0.000 -9.785 0.000) 9.785 3.629 ( 0.000 12.276 -0.000) 12.276 3.765 ( 0.000 0.621 -0.000) 0.621 3.907 ( -0.000 0.858 -0.000) 0.858 3.945 ( 0.000 3.016 0.000) 3.016 4.098 ( 0.000 -7.356 0.000) 7.356 4.427 ( 0.000 6.746 0.000) 6.746 4.455 ( -0.000 -10.309 0.000) 10.309 4.810 ( 0.000 -0.103 0.000) 0.103 4.855 ( -0.000 5.222 0.000) 5.222 5.053 ( -0.000 0.124 0.000) 0.124 5.122 ( 0.000 4.042 0.000) 4.042 5.625 ( 0.000 -5.189 0.000) 5.189 5.801 ( 0.000 -4.920 0.000) 4.920 6.291 ( 0.000 -7.694 0.000) 7.694 6.303 ( 0.000 2.387 -0.000) 2.387 6.351 ( -0.000 -5.354 0.000) 5.354 6.515 ( -0.000 -1.763 0.000) 1.763 6.659 ( 0.000 4.970 0.000) 4.970 6.795 ( 0.000 4.010 0.000) 4.010 6.913 ( -0.000 3.564 0.000) 3.564 6.956 ( 0.000 0.209 0.000) 0.209 7.078 ( 0.000 -1.703 0.000) 1.703 7.178 ( 0.000 2.640 0.000) 2.640 7.534 ( 0.000 -3.648 0.000) 3.648 7.772 ( -0.000 7.949 0.000) 7.949 7.786 ( 0.000 -9.249 0.000) 9.249 7.992 ( -0.000 7.092 0.000) 7.092 8.243 ( 0.000 3.330 0.000) 3.330 8.778 ( 0.000 -4.599 0.000) 4.599 9.056 ( 0.000 1.320 0.000) 1.320 9.236 ( 0.000 -5.549 0.000) 5.549 9.707 ( -0.000 -0.274 0.000) 0.274 9.805 ( -0.000 0.972 0.000) 0.972 9.943 ( -0.000 -4.751 0.000) 4.751 10.012 ( 0.000 6.311 0.000) 6.311 10.087 ( -0.000 -6.394 0.000) 6.394 10.125 ( 0.000 6.847 0.000) 6.847 10.392 ( 0.000 10.570 0.000) 10.570 10.940 ( -0.000 -6.572 0.000) 6.572 11.846 ( 0.000 -1.106 0.000) 1.106 12.077 ( 0.000 -11.190 0.000) 11.190 12.254 ( 0.000 -4.899 0.000) 4.899 12.544 ( 0.000 9.415 0.000) 9.415 12.950 ( -0.000 3.097 0.000) 3.097 13.293 ( 0.000 7.623 0.000) 7.623 13.615 ( 0.000 -8.501 0.000) 8.501 13.697 ( 0.000 -2.194 0.000) 2.194 14.110 ( 0.000 -1.994 0.000) 1.994 14.220 ( -0.000 -2.032 0.000) 2.032 14.495 ( 0.000 -4.531 0.000) 4.531 14.562 ( 0.000 -3.156 0.000) 3.156 14.775 ( 0.000 13.349 0.000) 13.349 14.809 ( 0.000 -4.872 0.000) 4.872 15.445 ( -0.000 6.461 0.000) 6.461 15.642 ( 0.000 -2.800 0.000) 2.800 15.744 ( -0.000 6.935 0.000) 6.935 15.766 ( 0.000 -3.732 -0.000) 3.732 16.419 ( 0.000 -2.685 0.000) 2.685 16.646 ( 0.000 0.354 0.000) 0.354 16.714 ( -0.000 1.788 0.000) 1.788 17.163 ( 0.000 -2.837 0.000) 2.837 17.660 ( 0.000 2.152 0.000) 2.152 17.828 ( 0.000 -1.062 0.000) 1.062 20.742 ( 0.000 6.022 0.000) 6.022 20.875 ( 0.000 -7.028 0.000) 7.028 21.472 ( 0.000 1.888 0.000) 1.888 21.576 ( 0.000 0.457 0.000) 0.457 21.798 ( -0.000 1.077 0.000) 1.077 22.355 ( 0.000 -2.247 0.000) 2.247 22.665 ( 0.000 1.979 0.000) 1.979 23.213 ( 0.000 -2.882 0.000) 2.882 25.813 ( 0.000 0.527 0.000) 0.527 26.856 ( 0.000 -9.031 0.000) 9.031 28.190 ( 0.000 -1.256 0.000) 1.256 29.292 ( 0.000 9.819 0.000) 9.819 30.240 ( 0.000 1.294 0.000) 1.294 30.470 ( -0.000 4.222 0.000) 4.222 30.980 ( 0.000 -2.556 -0.000) 2.556 30.982 ( -0.000 -8.493 0.000) 8.493 31.305 ( -0.000 -0.690 0.000) 0.690 31.672 ( 0.000 5.120 0.000) 5.120 31.906 ( 0.000 -5.905 0.000) 5.905 32.160 ( 0.000 4.416 0.000) 4.416 32.263 ( 0.000 0.959 0.000) 0.959 32.856 ( 0.000 0.902 0.000) 0.902 33.075 ( 0.000 1.451 0.000) 1.451 33.249 ( 0.000 -3.843 0.000) 3.843 35.268 ( 0.000 6.726 0.000) 6.726 35.378 ( -0.000 -7.367 0.000) 7.367 36.307 ( 0.000 8.429 0.000) 8.429 36.464 ( -0.000 -8.418 0.000) 8.418 37.238 ( -0.000 5.956 0.000) 5.956 37.527 ( 0.000 -9.090 0.000) 9.090 38.272 ( 0.000 -8.919 0.000) 8.919 38.336 ( -0.000 12.004 0.000) 12.004 ======================= Grid point 141 (77/78) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 2.346 -0.000 -15.717) 15.891 1.753 ( -10.940 0.000 -3.221) 11.404 1.826 ( 11.298 -0.000 -5.933) 12.761 1.952 ( -8.505 0.000 1.771) 8.687 2.145 ( 0.580 -0.000 -1.348) 1.468 2.395 ( -2.394 0.000 -1.926) 3.072 2.648 ( 3.841 -0.000 4.831) 6.172 2.667 ( -6.674 0.000 -2.965) 7.303 3.076 ( 7.088 -0.000 1.040) 7.164 3.076 ( 11.907 -0.000 4.723) 12.809 3.361 ( -2.457 0.000 11.153) 11.420 3.504 ( -2.282 0.000 8.552) 8.852 3.540 ( 9.778 -0.000 10.168) 14.107 3.613 ( -2.587 0.000 3.443) 4.307 3.721 ( -7.263 0.000 -13.112) 14.990 3.856 ( -3.531 0.000 -3.297) 4.831 3.867 ( -3.448 0.000 -0.362) 3.467 3.986 ( -13.186 0.000 -6.693) 14.787 4.482 ( 1.313 -0.000 -1.605) 2.073 4.512 ( 2.316 -0.000 5.281) 5.767 4.734 ( -0.661 0.000 -1.132) 1.312 4.813 ( 20.541 -0.000 -3.561) 20.848 5.118 ( 0.050 -0.000 -0.822) 0.824 5.302 ( 6.248 -0.000 1.799) 6.502 5.520 ( -3.807 0.000 -2.079) 4.338 5.685 ( -1.168 0.000 -4.452) 4.603 6.173 ( -1.418 0.000 -5.656) 5.831 6.227 ( -10.417 0.000 8.831) 13.656 6.516 ( -2.697 0.000 7.391) 7.868 6.586 ( -0.818 0.000 2.604) 2.729 6.743 ( 2.994 -0.000 0.159) 2.998 6.887 ( -6.690 0.000 -3.954) 7.771 6.958 ( 0.682 -0.000 -1.528) 1.673 7.138 ( 0.898 -0.000 1.818) 2.028 7.174 ( 0.251 -0.000 3.123) 3.133 7.203 ( -0.955 0.000 -2.642) 2.809 7.394 ( 4.075 -0.000 -5.178) 6.589 7.703 ( -0.622 0.000 -2.861) 2.928 7.855 ( 6.586 -0.000 3.401) 7.412 8.293 ( 0.614 -0.000 4.332) 4.375 8.377 ( 5.383 -0.000 -6.648) 8.554 8.569 ( -3.914 0.000 0.423) 3.937 9.024 ( 6.010 -0.000 7.610) 9.697 9.354 ( -0.086 0.000 0.664) 0.670 9.614 ( -6.444 0.000 -4.912) 8.103 9.678 ( -2.048 0.000 0.401) 2.087 9.862 ( 2.589 -0.000 -2.933) 3.912 9.916 ( -0.297 0.000 3.732) 3.743 10.214 ( 2.187 -0.000 2.140) 3.059 10.294 ( 2.285 -0.000 0.104) 2.288 10.622 ( 9.476 -0.000 5.718) 11.068 10.891 ( -7.119 0.000 -4.544) 8.445 11.779 ( -1.969 0.000 -0.861) 2.149 11.973 ( -6.346 0.000 -2.989) 7.015 12.035 ( -6.025 0.000 -2.417) 6.492 12.728 ( 9.634 -0.000 5.327) 11.009 13.203 ( -1.280 0.000 -1.791) 2.201 13.206 ( 2.793 -0.000 0.500) 2.837 13.381 ( -7.624 0.000 -3.924) 8.574 13.544 ( -1.368 0.000 2.766) 3.086 14.051 ( -0.162 0.000 0.580) 0.603 14.165 ( -8.753 0.000 -2.723) 9.167 14.288 ( 0.550 -0.000 1.142) 1.268 14.529 ( -3.482 0.000 -2.133) 4.083 14.660 ( 5.876 -0.000 -0.834) 5.935 15.076 ( 7.919 -0.000 1.886) 8.141 15.451 ( -4.860 0.000 -2.581) 5.502 15.528 ( 11.525 -0.000 3.130) 11.942 15.755 ( -1.983 0.000 -3.723) 4.218 16.076 ( -12.342 0.000 1.804) 12.473 16.285 ( 4.437 -0.000 -0.089) 4.437 16.628 ( 6.659 -0.000 4.648) 8.120 16.972 ( 2.305 -0.000 -0.945) 2.491 17.014 ( -6.110 0.000 -2.520) 6.609 17.719 ( 1.220 -0.000 5.732) 5.861 17.799 ( -0.458 0.000 -5.152) 5.172 20.640 ( 0.126 -0.000 -0.368) 0.389 21.011 ( -0.017 0.000 -0.066) 0.068 21.397 ( 0.092 -0.000 2.575) 2.576 21.431 ( -1.480 0.000 -2.602) 2.993 21.899 ( 1.545 -0.000 0.170) 1.555 22.414 ( -0.599 0.000 0.830) 1.023 22.649 ( 0.450 -0.000 0.747) 0.872 23.253 ( -0.484 0.000 -0.923) 1.043 25.819 ( 0.253 -0.000 0.233) 0.344 26.646 ( -5.596 0.000 -5.673) 7.969 28.030 ( -1.508 0.000 -2.982) 3.341 29.464 ( 6.127 -0.000 6.519) 8.946 30.476 ( 8.712 -0.000 -8.731) 12.334 30.558 ( 2.502 -0.000 -0.882) 2.653 30.741 ( -10.547 0.000 8.677) 13.657 30.910 ( -3.521 0.000 -1.413) 3.794 31.293 ( 0.486 -0.000 0.455) 0.666 31.678 ( 2.140 -0.000 2.445) 3.249 31.856 ( -3.952 0.000 -1.848) 4.363 32.262 ( 0.560 -0.000 -0.445) 0.715 32.299 ( 3.507 -0.000 -0.445) 3.535 32.755 ( -1.107 0.000 -0.121) 1.114 33.126 ( 2.654 -0.000 1.433) 3.016 33.232 ( -3.424 0.000 -1.046) 3.581 35.144 ( -0.031 0.000 -0.029) 0.042 35.549 ( 0.220 -0.000 0.168) 0.277 36.157 ( 0.134 -0.000 1.114) 1.122 36.627 ( 0.268 -0.000 -3.249) 3.260 37.200 ( 2.391 -0.000 -2.419) 3.401 37.453 ( -4.572 0.000 4.012) 6.083 37.953 ( -2.217 0.000 1.056) 2.455 38.702 ( 3.097 -0.000 0.936) 3.235 ======================= Grid point 142 (78/78) ======================= q-point: (-0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.97e-04 1.97e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 8.556 -0.000) 8.556 1.755 ( -0.000 -11.480 -0.000) 11.480 1.899 ( 0.000 -5.950 -0.000) 5.950 2.006 ( 0.000 -5.584 0.000) 5.584 2.192 ( 0.000 -4.521 -0.000) 4.521 2.323 ( 0.000 4.032 -0.000) 4.032 2.760 ( 0.000 -9.599 -0.000) 9.599 2.769 ( -0.000 -13.765 0.000) 13.765 3.076 ( 0.000 3.639 -0.000) 3.639 3.232 ( -0.000 12.331 0.000) 12.331 3.255 ( 0.000 -2.809 -0.000) 2.809 3.358 ( -0.000 3.566 -0.000) 3.566 3.532 ( -0.000 5.508 -0.000) 5.508 3.714 ( 0.000 4.633 0.000) 4.633 3.767 ( 0.000 -6.181 -0.000) 6.181 3.825 ( -0.000 -10.168 0.000) 10.168 3.849 ( -0.000 -2.696 -0.000) 2.696 3.913 ( -0.000 -0.930 -0.000) 0.930 4.351 ( 0.000 7.634 -0.000) 7.634 4.693 ( -0.000 -11.038 -0.000) 11.038 4.713 ( 0.000 2.630 0.000) 2.630 4.935 ( 0.000 2.067 -0.000) 2.067 5.072 ( 0.000 4.177 -0.000) 4.177 5.304 ( 0.000 4.696 -0.000) 4.696 5.505 ( 0.000 -1.414 0.000) 1.414 5.680 ( 0.000 -0.746 -0.000) 0.746 6.105 ( 0.000 -1.542 -0.000) 1.542 6.304 ( 0.000 -9.028 -0.000) 9.028 6.461 ( 0.000 5.613 -0.000) 5.613 6.534 ( 0.000 6.095 0.000) 6.095 6.751 ( 0.000 0.960 -0.000) 0.960 6.832 ( 0.000 0.800 -0.000) 0.800 6.962 ( 0.000 -0.099 -0.000) 0.099 7.085 ( 0.000 3.897 -0.000) 3.897 7.155 ( 0.000 0.283 -0.000) 0.283 7.322 ( -0.000 10.285 -0.000) 10.285 7.329 ( 0.000 -9.206 0.000) 9.206 7.643 ( 0.000 3.787 -0.000) 3.787 7.909 ( 0.000 -0.404 -0.000) 0.404 8.248 ( 0.000 5.945 -0.000) 5.945 8.367 ( 0.000 3.268 -0.000) 3.268 8.603 ( 0.000 -5.593 -0.000) 5.593 9.104 ( 0.000 -2.623 -0.000) 2.623 9.240 ( 0.000 9.912 -0.000) 9.912 9.680 ( 0.000 -2.700 -0.000) 2.700 9.683 ( 0.000 -9.316 -0.000) 9.316 9.858 ( 0.000 1.713 -0.000) 1.713 9.931 ( 0.000 -1.701 0.000) 1.701 10.229 ( 0.000 1.112 -0.000) 1.112 10.255 ( 0.000 5.367 -0.000) 5.367 10.745 ( -0.000 8.078 -0.000) 8.078 10.747 ( 0.000 -3.920 0.000) 3.920 11.805 ( 0.000 -4.637 -0.000) 4.637 11.911 ( 0.000 3.060 -0.000) 3.060 12.032 ( 0.000 -5.574 -0.000) 5.574 12.781 ( -0.000 2.840 -0.000) 2.840 13.080 ( 0.000 5.378 -0.000) 5.378 13.331 ( 0.000 -0.637 -0.000) 0.637 13.407 ( 0.000 -13.857 -0.000) 13.857 13.543 ( 0.000 0.253 -0.000) 0.253 14.057 ( 0.000 -0.557 0.000) 0.557 14.122 ( 0.000 -2.175 -0.000) 2.175 14.324 ( 0.000 -3.696 -0.000) 3.696 14.501 ( 0.000 0.250 -0.000) 0.250 14.707 ( 0.000 -1.573 -0.000) 1.573 15.095 ( 0.000 4.755 -0.000) 4.755 15.459 ( 0.000 -5.470 -0.000) 5.470 15.630 ( -0.000 3.703 -0.000) 3.703 15.691 ( 0.000 -0.690 -0.000) 0.690 15.959 ( 0.000 4.515 -0.000) 4.515 16.327 ( 0.000 -1.996 -0.000) 1.996 16.677 ( -0.000 0.770 -0.000) 0.770 16.881 ( 0.000 6.353 -0.000) 6.353 17.049 ( 0.000 -4.029 -0.000) 4.029 17.724 ( 0.000 1.314 -0.000) 1.314 17.794 ( 0.000 -0.714 -0.000) 0.714 20.673 ( 0.000 -3.868 -0.000) 3.868 20.960 ( 0.000 5.594 -0.000) 5.594 21.437 ( -0.000 -2.405 -0.000) 2.405 21.452 ( 0.000 -4.993 0.000) 4.993 21.890 ( 0.000 2.293 -0.000) 2.293 22.388 ( -0.000 2.498 -0.000) 2.498 22.664 ( 0.000 -1.229 -0.000) 1.229 23.227 ( 0.000 2.326 -0.000) 2.326 25.821 ( 0.000 -0.013 -0.000) 0.013 26.634 ( 0.000 -3.625 -0.000) 3.625 28.059 ( 0.000 -4.580 -0.000) 4.580 29.492 ( 0.000 2.374 -0.000) 2.374 30.407 ( 0.000 8.322 -0.000) 8.322 30.632 ( 0.000 4.447 -0.000) 4.447 30.697 ( -0.000 -8.632 0.000) 8.632 30.905 ( 0.000 -1.829 -0.000) 1.829 31.299 ( 0.000 -0.151 -0.000) 0.151 31.729 ( 0.000 -3.728 0.000) 3.728 31.811 ( -0.000 2.145 -0.000) 2.145 32.262 ( 0.000 0.059 -0.000) 0.059 32.293 ( 0.000 3.043 -0.000) 3.043 32.786 ( 0.000 -3.925 -0.000) 3.925 33.139 ( -0.000 1.496 -0.000) 1.496 33.196 ( 0.000 0.426 0.000) 0.426 35.176 ( 0.000 -3.820 -0.000) 3.820 35.501 ( 0.000 5.685 -0.000) 5.685 36.210 ( 0.000 -5.687 -0.000) 5.687 36.571 ( 0.000 6.083 -0.000) 6.083 37.263 ( 0.000 -5.829 -0.000) 5.829 37.402 ( 0.000 3.319 -0.000) 3.319 37.992 ( 0.000 -6.007 -0.000) 6.007 38.668 ( 0.000 6.396 -0.000) 6.396 =================== 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 3/27000 10.0 19.712 10.238 10.285 0.000 5.049 -0.000 3/27000 20.0 6.753 5.033 5.386 0.000 1.969 -0.000 3/27000 30.0 3.636 2.746 3.338 0.000 1.008 -0.000 3/27000 40.0 2.496 1.849 2.417 0.000 0.647 -0.000 3/27000 50.0 1.956 1.404 1.934 0.000 0.476 -0.000 3/27000 60.0 1.655 1.147 1.645 0.000 0.381 -0.000 3/27000 70.0 1.464 0.982 1.454 0.000 0.320 -0.000 3/27000 80.0 1.330 0.868 1.315 0.000 0.279 -0.000 3/27000 90.0 1.228 0.785 1.208 0.000 0.249 -0.000 3/27000 100.0 1.147 0.721 1.122 0.000 0.227 -0.000 3/27000 110.0 1.079 0.671 1.049 0.000 0.209 -0.000 3/27000 120.0 1.021 0.631 0.987 0.000 0.195 -0.000 3/27000 130.0 0.970 0.597 0.932 0.000 0.184 -0.000 3/27000 140.0 0.926 0.568 0.884 0.000 0.174 -0.000 3/27000 150.0 0.886 0.542 0.841 0.000 0.166 -0.000 3/27000 160.0 0.850 0.520 0.803 0.000 0.158 -0.000 3/27000 170.0 0.818 0.501 0.768 0.000 0.152 -0.000 3/27000 180.0 0.788 0.483 0.738 0.000 0.146 -0.000 3/27000 190.0 0.761 0.467 0.710 0.000 0.140 -0.000 3/27000 200.0 0.736 0.453 0.685 0.000 0.135 -0.000 3/27000 210.0 0.713 0.440 0.663 0.000 0.130 -0.000 3/27000 220.0 0.692 0.428 0.642 0.000 0.125 -0.000 3/27000 230.0 0.672 0.417 0.624 0.000 0.121 -0.000 3/27000 240.0 0.654 0.407 0.608 0.000 0.116 -0.000 3/27000 250.0 0.637 0.398 0.593 0.000 0.112 -0.000 3/27000 260.0 0.621 0.389 0.579 0.000 0.108 -0.000 3/27000 270.0 0.607 0.381 0.567 0.000 0.104 -0.000 3/27000 280.0 0.593 0.373 0.555 0.000 0.100 -0.000 3/27000 290.0 0.580 0.366 0.545 0.000 0.096 -0.000 3/27000 300.0 0.567 0.360 0.535 0.000 0.093 -0.000 3/27000 310.0 0.556 0.353 0.527 0.000 0.089 -0.000 3/27000 320.0 0.545 0.347 0.518 0.000 0.086 -0.000 3/27000 330.0 0.534 0.342 0.511 0.000 0.083 -0.000 3/27000 340.0 0.524 0.336 0.504 0.000 0.080 -0.000 3/27000 350.0 0.515 0.331 0.497 0.000 0.076 -0.000 3/27000 360.0 0.506 0.326 0.491 0.000 0.074 -0.000 3/27000 370.0 0.497 0.322 0.485 0.000 0.071 -0.000 3/27000 380.0 0.489 0.317 0.479 0.000 0.068 -0.000 3/27000 390.0 0.481 0.313 0.473 0.000 0.065 -0.000 3/27000 400.0 0.473 0.308 0.468 0.000 0.063 -0.000 3/27000 410.0 0.466 0.304 0.463 0.000 0.061 -0.000 3/27000 420.0 0.459 0.300 0.458 0.000 0.058 -0.000 3/27000 430.0 0.452 0.296 0.453 0.000 0.056 -0.000 3/27000 440.0 0.445 0.292 0.448 0.000 0.054 -0.000 3/27000 450.0 0.439 0.289 0.444 0.000 0.052 -0.000 3/27000 460.0 0.433 0.285 0.439 0.000 0.050 -0.000 3/27000 470.0 0.427 0.282 0.435 0.000 0.048 -0.000 3/27000 480.0 0.421 0.278 0.431 0.000 0.046 -0.000 3/27000 490.0 0.415 0.275 0.426 0.000 0.045 -0.000 3/27000 500.0 0.409 0.272 0.422 0.000 0.043 -0.000 3/27000 510.0 0.404 0.268 0.418 0.000 0.042 -0.000 3/27000 520.0 0.399 0.265 0.414 0.000 0.040 -0.000 3/27000 530.0 0.394 0.262 0.410 0.000 0.039 -0.000 3/27000 540.0 0.389 0.259 0.406 0.000 0.037 -0.000 3/27000 550.0 0.384 0.256 0.402 0.000 0.036 -0.000 3/27000 560.0 0.379 0.253 0.399 0.000 0.035 -0.000 3/27000 570.0 0.374 0.250 0.395 0.000 0.034 -0.000 3/27000 580.0 0.370 0.248 0.391 0.000 0.033 -0.000 3/27000 590.0 0.365 0.245 0.387 0.000 0.031 -0.000 3/27000 600.0 0.361 0.242 0.384 0.000 0.030 -0.000 3/27000 610.0 0.356 0.240 0.380 0.000 0.029 -0.000 3/27000 620.0 0.352 0.237 0.377 0.000 0.028 -0.000 3/27000 630.0 0.348 0.234 0.373 0.000 0.028 -0.000 3/27000 640.0 0.344 0.232 0.370 0.000 0.027 -0.000 3/27000 650.0 0.340 0.229 0.366 0.000 0.026 -0.000 3/27000 660.0 0.336 0.227 0.363 0.000 0.025 -0.000 3/27000 670.0 0.333 0.225 0.360 0.000 0.024 -0.000 3/27000 680.0 0.329 0.222 0.356 0.000 0.024 -0.000 3/27000 690.0 0.325 0.220 0.353 0.000 0.023 -0.000 3/27000 700.0 0.322 0.218 0.350 0.000 0.022 -0.000 3/27000 710.0 0.318 0.216 0.347 0.000 0.021 -0.000 3/27000 720.0 0.315 0.213 0.344 0.000 0.021 -0.000 3/27000 730.0 0.312 0.211 0.341 0.000 0.020 -0.000 3/27000 740.0 0.308 0.209 0.338 0.000 0.020 -0.000 3/27000 750.0 0.305 0.207 0.335 0.000 0.019 -0.000 3/27000 760.0 0.302 0.205 0.332 0.000 0.019 -0.000 3/27000 770.0 0.299 0.203 0.329 0.000 0.018 -0.000 3/27000 780.0 0.296 0.201 0.326 0.000 0.018 -0.000 3/27000 790.0 0.293 0.199 0.323 0.000 0.017 -0.000 3/27000 800.0 0.290 0.197 0.320 0.000 0.017 -0.000 3/27000 810.0 0.287 0.195 0.317 0.000 0.016 -0.000 3/27000 820.0 0.284 0.194 0.315 0.000 0.016 -0.000 3/27000 830.0 0.281 0.192 0.312 0.000 0.015 -0.000 3/27000 840.0 0.279 0.190 0.309 0.000 0.015 -0.000 3/27000 850.0 0.276 0.188 0.307 0.000 0.015 -0.000 3/27000 860.0 0.273 0.186 0.304 0.000 0.014 -0.000 3/27000 870.0 0.271 0.185 0.301 0.000 0.014 -0.000 3/27000 880.0 0.268 0.183 0.299 0.000 0.014 -0.000 3/27000 890.0 0.266 0.181 0.296 0.000 0.013 -0.000 3/27000 900.0 0.263 0.180 0.294 0.000 0.013 -0.000 3/27000 910.0 0.261 0.178 0.292 0.000 0.013 -0.000 3/27000 920.0 0.258 0.177 0.289 0.000 0.012 -0.000 3/27000 930.0 0.256 0.175 0.287 0.000 0.012 -0.000 3/27000 940.0 0.254 0.174 0.285 0.000 0.012 -0.000 3/27000 950.0 0.252 0.172 0.282 0.000 0.011 -0.000 3/27000 960.0 0.249 0.171 0.280 0.000 0.011 -0.000 3/27000 970.0 0.247 0.169 0.278 0.000 0.011 -0.000 3/27000 980.0 0.245 0.168 0.276 0.000 0.011 -0.000 3/27000 990.0 0.243 0.166 0.273 0.000 0.011 -0.000 3/27000 1000.0 0.241 0.165 0.271 0.000 0.010 -0.000 3/27000 Thermal conductivity related properties were written into "kappa-m5510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:21:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|