----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:41:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 17.425085379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.454655390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.024198269999999 Atomic positions (fractional): *1 Cd 0.11208183386832 0.77667836047020 0.63221558667865 112.411 *2 Cd 0.94110672407073 0.72353769625653 0.85015339925243 112.411 3 Cd 0.05889327592927 0.27646230374347 0.35015339925243 112.411 4 Cd 0.61208183386832 0.22332163952980 0.63221558667865 112.411 5 Cd 0.38791816613168 0.77667836047020 0.13221558667865 112.411 6 Cd 0.88791816613168 0.22332163952980 0.13221558667865 112.411 7 Cd 0.44110672407072 0.27646230374347 0.85015339925243 112.411 8 Cd 0.55889327592927 0.72353769625653 0.35015339925243 112.411 *9 I 0.20040630027873 0.76449612193738 0.37235387270733 126.904 *10 I 0.88907871720723 0.80158393893518 0.36268470294729 126.904 *11 I 0.96861732138064 0.27985883672013 0.61174479933558 126.904 *12 I 0.77775544268906 0.71264404621286 0.62122662704040 126.904 13 I 0.11092128279277 0.19841606106482 0.86268470294729 126.904 14 I 0.70040630027873 0.23550387806262 0.37235387270733 126.904 15 I 0.79959369972127 0.23550387806262 0.87235387270733 126.904 16 I 0.53138267861936 0.27985883672013 0.11174479933558 126.904 17 I 0.72224455731094 0.71264404621286 0.12122662704041 126.904 18 I 0.46861732138064 0.72014116327987 0.61174479933558 126.904 19 I 0.22224455731094 0.28735595378714 0.12122662704041 126.904 20 I 0.61092128279277 0.80158393893518 0.86268470294729 126.904 21 I 0.29959369972127 0.76449612193738 0.87235387270733 126.904 22 I 0.27775544268906 0.28735595378714 0.62122662704040 126.904 23 I 0.38907871720723 0.19841606106482 0.36268470294729 126.904 24 I 0.03138267861936 0.72014116327987 0.11174479933558 126.904 *25 O 0.84984440430981 0.98732767966404 0.79014350517040 15.999 *26 O 0.11440346931230 0.61029578950243 0.43495392336848 15.999 *27 O 0.71458409207316 0.07591582959962 0.51744610088985 15.999 *28 O 0.52387280050160 0.95443099246942 0.80062585356238 15.999 *29 O 0.35213475612061 0.49002848490923 0.69100914532524 15.999 30 O 0.78541590792684 0.07591582959962 0.01744610088985 15.999 *31 O 0.51624743159972 0.46329634058783 0.69729819860750 15.999 *32 O 0.95597648036493 0.43752628406426 0.46631572055370 15.999 33 O 0.14786524387939 0.49002848490923 0.19100914532524 15.999 34 O 0.34984440430981 0.01267232033596 0.79014350517040 15.999 35 O 0.64786524387939 0.50997151509077 0.19100914532524 15.999 *36 O 0.32374544315373 0.96946075572194 0.29161406186623 15.999 37 O 0.54402351963507 0.43752628406426 0.96631572055370 15.999 38 O 0.02387280050160 0.04556900753058 0.80062585356238 15.999 *39 O 0.30462709916327 0.45666720749637 0.18291046832362 15.999 40 O 0.88559653068770 0.38970421049757 0.93495392336848 15.999 41 O 0.80462709916327 0.54333279250363 0.18291046832362 15.999 42 O 0.17625455684627 0.96946075572194 0.79161406186623 15.999 43 O 0.69537290083673 0.54333279250363 0.68291046832362 15.999 44 O 0.19537290083673 0.45666720749637 0.68291046832362 15.999 *45 O 0.89074459272043 0.93340669656394 0.51622885997343 15.999 46 O 0.82374544315373 0.03053924427806 0.29161406186623 15.999 47 O 0.67625455684627 0.03053924427806 0.79161406186623 15.999 *48 O 0.44448886941905 0.12517001480541 0.05288217091327 15.999 *49 O 0.78013537412444 0.58277058166850 0.46579298348422 15.999 50 O 0.10925540727957 0.06659330343606 0.01622885997343 15.999 51 O 0.39074459272043 0.06659330343606 0.51622885997343 15.999 52 O 0.60925540727957 0.93340669656394 0.01622885997343 15.999 53 O 0.05551113058095 0.12517001480541 0.55288217091327 15.999 54 O 0.55551113058095 0.87482998519459 0.55288217091327 15.999 55 O 0.85213475612061 0.50997151509077 0.69100914532524 15.999 56 O 0.38559653068770 0.61029578950243 0.93495392336848 15.999 57 O 0.98375256840028 0.46329634058783 0.19729819860750 15.999 58 O 0.48375256840028 0.53670365941217 0.19729819860750 15.999 59 O 0.94448886941905 0.87482998519459 0.05288217091327 15.999 60 O 0.28013537412444 0.41722941833150 0.46579298348422 15.999 61 O 0.01624743159972 0.53670365941217 0.69729819860750 15.999 62 O 0.04402351963507 0.56247371593574 0.96631572055370 15.999 63 O 0.71986462587556 0.58277058166850 0.96579298348422 15.999 64 O 0.28541590792684 0.92408417040039 0.01744610088985 15.999 65 O 0.21458409207317 0.92408417040039 0.51744610088985 15.999 66 O 0.21986462587556 0.41722941833150 0.96579298348422 15.999 67 O 0.65015559569019 0.98732767966404 0.29014350517040 15.999 68 O 0.47612719949840 0.04556900753058 0.30062585356238 15.999 69 O 0.15015559569019 0.01267232033596 0.29014350517040 15.999 70 O 0.61440346931230 0.38970421049757 0.43495392336848 15.999 71 O 0.97612719949840 0.95443099246942 0.30062585356238 15.999 72 O 0.45597648036493 0.56247371593574 0.46631572055370 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 17.425085379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.454655390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.024198269999999 Atomic positions (fractional): *1 Cd 0.11208183386832 0.77667836047020 0.63221558667865 112.411 > 1 *2 Cd 0.94110672407073 0.72353769625653 0.85015339925243 112.411 > 2 3 Cd 0.05889327592927 0.27646230374347 0.35015339925243 112.411 > 3 4 Cd 0.61208183386832 0.22332163952980 0.63221558667865 112.411 > 4 5 Cd 0.38791816613168 0.77667836047020 0.13221558667865 112.411 > 5 6 Cd 0.88791816613168 0.22332163952980 0.13221558667865 112.411 > 6 7 Cd 0.44110672407072 0.27646230374347 0.85015339925243 112.411 > 7 8 Cd 0.55889327592927 0.72353769625653 0.35015339925243 112.411 > 8 *9 I 0.20040630027873 0.76449612193738 0.37235387270733 126.904 > 9 *10 I 0.88907871720723 0.80158393893518 0.36268470294729 126.904 > 10 *11 I 0.96861732138064 0.27985883672013 0.61174479933558 126.904 > 11 *12 I 0.77775544268906 0.71264404621286 0.62122662704040 126.904 > 12 13 I 0.11092128279277 0.19841606106482 0.86268470294729 126.904 > 13 14 I 0.70040630027873 0.23550387806262 0.37235387270733 126.904 > 14 15 I 0.79959369972127 0.23550387806262 0.87235387270733 126.904 > 15 16 I 0.53138267861936 0.27985883672013 0.11174479933558 126.904 > 16 17 I 0.72224455731094 0.71264404621286 0.12122662704041 126.904 > 17 18 I 0.46861732138064 0.72014116327987 0.61174479933558 126.904 > 18 19 I 0.22224455731094 0.28735595378714 0.12122662704041 126.904 > 19 20 I 0.61092128279277 0.80158393893518 0.86268470294729 126.904 > 20 21 I 0.29959369972127 0.76449612193738 0.87235387270733 126.904 > 21 22 I 0.27775544268906 0.28735595378714 0.62122662704040 126.904 > 22 23 I 0.38907871720723 0.19841606106482 0.36268470294729 126.904 > 23 24 I 0.03138267861936 0.72014116327987 0.11174479933558 126.904 > 24 *25 O 0.84984440430981 0.98732767966404 0.79014350517040 15.999 > 25 *26 O 0.11440346931230 0.61029578950243 0.43495392336848 15.999 > 26 *27 O 0.71458409207316 0.07591582959962 0.51744610088985 15.999 > 27 *28 O 0.52387280050160 0.95443099246942 0.80062585356238 15.999 > 28 *29 O 0.35213475612061 0.49002848490923 0.69100914532524 15.999 > 29 30 O 0.78541590792684 0.07591582959962 0.01744610088985 15.999 > 30 *31 O 0.51624743159972 0.46329634058783 0.69729819860750 15.999 > 31 *32 O 0.95597648036493 0.43752628406426 0.46631572055370 15.999 > 32 33 O 0.14786524387939 0.49002848490923 0.19100914532524 15.999 > 33 34 O 0.34984440430981 0.01267232033596 0.79014350517040 15.999 > 34 35 O 0.64786524387939 0.50997151509077 0.19100914532524 15.999 > 35 *36 O 0.32374544315373 0.96946075572194 0.29161406186623 15.999 > 36 37 O 0.54402351963507 0.43752628406426 0.96631572055370 15.999 > 37 38 O 0.02387280050160 0.04556900753058 0.80062585356238 15.999 > 38 *39 O 0.30462709916327 0.45666720749637 0.18291046832362 15.999 > 39 40 O 0.88559653068770 0.38970421049757 0.93495392336848 15.999 > 40 41 O 0.80462709916327 0.54333279250363 0.18291046832362 15.999 > 41 42 O 0.17625455684627 0.96946075572194 0.79161406186623 15.999 > 42 43 O 0.69537290083673 0.54333279250363 0.68291046832362 15.999 > 43 44 O 0.19537290083673 0.45666720749637 0.68291046832362 15.999 > 44 *45 O 0.89074459272043 0.93340669656394 0.51622885997343 15.999 > 45 46 O 0.82374544315373 0.03053924427806 0.29161406186623 15.999 > 46 47 O 0.67625455684627 0.03053924427806 0.79161406186623 15.999 > 47 *48 O 0.44448886941905 0.12517001480541 0.05288217091327 15.999 > 48 *49 O 0.78013537412444 0.58277058166850 0.46579298348422 15.999 > 49 50 O 0.10925540727957 0.06659330343606 0.01622885997343 15.999 > 50 51 O 0.39074459272043 0.06659330343606 0.51622885997343 15.999 > 51 52 O 0.60925540727957 0.93340669656394 0.01622885997343 15.999 > 52 53 O 0.05551113058095 0.12517001480541 0.55288217091327 15.999 > 53 54 O 0.55551113058095 0.87482998519459 0.55288217091327 15.999 > 54 55 O 0.85213475612061 0.50997151509077 0.69100914532524 15.999 > 55 56 O 0.38559653068770 0.61029578950243 0.93495392336848 15.999 > 56 57 O 0.98375256840028 0.46329634058783 0.19729819860750 15.999 > 57 58 O 0.48375256840028 0.53670365941217 0.19729819860750 15.999 > 58 59 O 0.94448886941905 0.87482998519459 0.05288217091327 15.999 > 59 60 O 0.28013537412444 0.41722941833150 0.46579298348422 15.999 > 60 61 O 0.01624743159972 0.53670365941217 0.69729819860750 15.999 > 61 62 O 0.04402351963507 0.56247371593574 0.96631572055370 15.999 > 62 63 O 0.71986462587556 0.58277058166850 0.96579298348422 15.999 > 63 64 O 0.28541590792684 0.92408417040039 0.01744610088985 15.999 > 64 65 O 0.21458409207317 0.92408417040039 0.51744610088985 15.999 > 65 66 O 0.21986462587556 0.41722941833150 0.96579298348422 15.999 > 66 67 O 0.65015559569019 0.98732767966404 0.29014350517040 15.999 > 67 68 O 0.47612719949840 0.04556900753058 0.30062585356238 15.999 > 68 69 O 0.15015559569019 0.01267232033596 0.29014350517040 15.999 > 69 70 O 0.61440346931230 0.38970421049757 0.43495392336848 15.999 > 70 71 O 0.97612719949840 0.95443099246942 0.30062585356238 15.999 > 71 72 O 0.45597648036493 0.56247371593574 0.46631572055370 15.999 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.425085379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.909310780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.024198269999999 Atomic positions (fractional): *1 Cd 0.11208183386832 0.38833918023510 0.63221558667865 112.411 > 1 2 Cd 0.11208183386832 0.88833918023510 0.63221558667865 112.411 > 1 *3 Cd 0.94110672407073 0.36176884812827 0.85015339925243 112.411 > 2 4 Cd 0.94110672407073 0.86176884812827 0.85015339925243 112.411 > 2 5 Cd 0.05889327592927 0.13823115187173 0.35015339925243 112.411 > 3 6 Cd 0.05889327592927 0.63823115187173 0.35015339925243 112.411 > 3 7 Cd 0.61208183386832 0.11166081976490 0.63221558667865 112.411 > 4 8 Cd 0.61208183386832 0.61166081976490 0.63221558667865 112.411 > 4 9 Cd 0.38791816613168 0.38833918023510 0.13221558667865 112.411 > 5 10 Cd 0.38791816613168 0.88833918023510 0.13221558667865 112.411 > 5 11 Cd 0.88791816613168 0.11166081976490 0.13221558667865 112.411 > 6 12 Cd 0.88791816613168 0.61166081976490 0.13221558667865 112.411 > 6 13 Cd 0.44110672407072 0.13823115187173 0.85015339925243 112.411 > 7 14 Cd 0.44110672407072 0.63823115187173 0.85015339925243 112.411 > 7 15 Cd 0.55889327592927 0.36176884812827 0.35015339925243 112.411 > 8 16 Cd 0.55889327592927 0.86176884812827 0.35015339925243 112.411 > 8 *17 I 0.20040630027873 0.38224806096869 0.37235387270733 126.904 > 9 18 I 0.20040630027873 0.88224806096869 0.37235387270733 126.904 > 9 *19 I 0.88907871720723 0.40079196946759 0.36268470294729 126.904 > 10 20 I 0.88907871720723 0.90079196946759 0.36268470294729 126.904 > 10 *21 I 0.96861732138064 0.13992941836006 0.61174479933558 126.904 > 11 22 I 0.96861732138064 0.63992941836006 0.61174479933558 126.904 > 11 *23 I 0.77775544268906 0.35632202310643 0.62122662704040 126.904 > 12 24 I 0.77775544268906 0.85632202310643 0.62122662704040 126.904 > 12 25 I 0.11092128279277 0.09920803053241 0.86268470294729 126.904 > 13 26 I 0.11092128279277 0.59920803053241 0.86268470294729 126.904 > 13 27 I 0.70040630027873 0.11775193903131 0.37235387270733 126.904 > 14 28 I 0.70040630027873 0.61775193903131 0.37235387270733 126.904 > 14 29 I 0.79959369972127 0.11775193903131 0.87235387270733 126.904 > 15 30 I 0.79959369972127 0.61775193903131 0.87235387270733 126.904 > 15 31 I 0.53138267861936 0.13992941836006 0.11174479933558 126.904 > 16 32 I 0.53138267861936 0.63992941836006 0.11174479933558 126.904 > 16 33 I 0.72224455731094 0.35632202310643 0.12122662704041 126.904 > 17 34 I 0.72224455731094 0.85632202310643 0.12122662704041 126.904 > 17 35 I 0.46861732138064 0.36007058163994 0.61174479933558 126.904 > 18 36 I 0.46861732138064 0.86007058163994 0.61174479933558 126.904 > 18 37 I 0.22224455731094 0.14367797689357 0.12122662704041 126.904 > 19 38 I 0.22224455731094 0.64367797689357 0.12122662704041 126.904 > 19 39 I 0.61092128279277 0.40079196946759 0.86268470294729 126.904 > 20 40 I 0.61092128279277 0.90079196946759 0.86268470294729 126.904 > 20 41 I 0.29959369972127 0.38224806096869 0.87235387270733 126.904 > 21 42 I 0.29959369972127 0.88224806096869 0.87235387270733 126.904 > 21 43 I 0.27775544268906 0.14367797689357 0.62122662704040 126.904 > 22 44 I 0.27775544268906 0.64367797689357 0.62122662704040 126.904 > 22 45 I 0.38907871720723 0.09920803053241 0.36268470294729 126.904 > 23 46 I 0.38907871720723 0.59920803053241 0.36268470294729 126.904 > 23 47 I 0.03138267861936 0.36007058163994 0.11174479933558 126.904 > 24 48 I 0.03138267861936 0.86007058163994 0.11174479933558 126.904 > 24 *49 O 0.84984440430981 0.49366383983202 0.79014350517040 15.999 > 25 50 O 0.84984440430981 0.99366383983202 0.79014350517040 15.999 > 25 *51 O 0.11440346931230 0.30514789475121 0.43495392336848 15.999 > 26 52 O 0.11440346931230 0.80514789475121 0.43495392336848 15.999 > 26 *53 O 0.71458409207316 0.03795791479981 0.51744610088985 15.999 > 27 54 O 0.71458409207316 0.53795791479981 0.51744610088985 15.999 > 27 *55 O 0.52387280050160 0.47721549623471 0.80062585356238 15.999 > 28 56 O 0.52387280050160 0.97721549623471 0.80062585356238 15.999 > 28 *57 O 0.35213475612061 0.24501424245461 0.69100914532524 15.999 > 29 58 O 0.35213475612061 0.74501424245461 0.69100914532524 15.999 > 29 59 O 0.78541590792684 0.03795791479981 0.01744610088985 15.999 > 30 60 O 0.78541590792684 0.53795791479981 0.01744610088985 15.999 > 30 *61 O 0.51624743159972 0.23164817029392 0.69729819860750 15.999 > 31 62 O 0.51624743159972 0.73164817029392 0.69729819860750 15.999 > 31 *63 O 0.95597648036493 0.21876314203213 0.46631572055370 15.999 > 32 64 O 0.95597648036493 0.71876314203213 0.46631572055370 15.999 > 32 65 O 0.14786524387939 0.24501424245461 0.19100914532524 15.999 > 33 66 O 0.14786524387939 0.74501424245461 0.19100914532524 15.999 > 33 67 O 0.34984440430981 0.00633616016798 0.79014350517040 15.999 > 34 68 O 0.34984440430981 0.50633616016798 0.79014350517040 15.999 > 34 69 O 0.64786524387939 0.25498575754539 0.19100914532524 15.999 > 35 70 O 0.64786524387939 0.75498575754539 0.19100914532524 15.999 > 35 *71 O 0.32374544315373 0.48473037786097 0.29161406186623 15.999 > 36 72 O 0.32374544315373 0.98473037786097 0.29161406186623 15.999 > 36 73 O 0.54402351963507 0.21876314203213 0.96631572055370 15.999 > 37 74 O 0.54402351963507 0.71876314203213 0.96631572055370 15.999 > 37 75 O 0.02387280050160 0.02278450376529 0.80062585356238 15.999 > 38 76 O 0.02387280050160 0.52278450376529 0.80062585356238 15.999 > 38 *77 O 0.30462709916327 0.22833360374819 0.18291046832362 15.999 > 39 78 O 0.30462709916327 0.72833360374819 0.18291046832362 15.999 > 39 79 O 0.88559653068770 0.19485210524879 0.93495392336848 15.999 > 40 80 O 0.88559653068770 0.69485210524879 0.93495392336848 15.999 > 40 81 O 0.80462709916327 0.27166639625181 0.18291046832362 15.999 > 41 82 O 0.80462709916327 0.77166639625181 0.18291046832362 15.999 > 41 83 O 0.17625455684627 0.48473037786097 0.79161406186623 15.999 > 42 84 O 0.17625455684627 0.98473037786097 0.79161406186623 15.999 > 42 85 O 0.69537290083673 0.27166639625181 0.68291046832362 15.999 > 43 86 O 0.69537290083673 0.77166639625181 0.68291046832362 15.999 > 43 87 O 0.19537290083673 0.22833360374819 0.68291046832362 15.999 > 44 88 O 0.19537290083673 0.72833360374819 0.68291046832362 15.999 > 44 *89 O 0.89074459272043 0.46670334828197 0.51622885997343 15.999 > 45 90 O 0.89074459272043 0.96670334828197 0.51622885997343 15.999 > 45 91 O 0.82374544315373 0.01526962213903 0.29161406186623 15.999 > 46 92 O 0.82374544315373 0.51526962213903 0.29161406186623 15.999 > 46 93 O 0.67625455684627 0.01526962213903 0.79161406186623 15.999 > 47 94 O 0.67625455684627 0.51526962213903 0.79161406186623 15.999 > 47 *95 O 0.44448886941905 0.06258500740270 0.05288217091327 15.999 > 48 96 O 0.44448886941905 0.56258500740270 0.05288217091327 15.999 > 48 *97 O 0.78013537412444 0.29138529083425 0.46579298348422 15.999 > 49 98 O 0.78013537412444 0.79138529083425 0.46579298348422 15.999 > 49 99 O 0.10925540727957 0.03329665171803 0.01622885997343 15.999 > 50 100 O 0.10925540727957 0.53329665171803 0.01622885997343 15.999 > 50 101 O 0.39074459272043 0.03329665171803 0.51622885997343 15.999 > 51 102 O 0.39074459272043 0.53329665171803 0.51622885997343 15.999 > 51 103 O 0.60925540727957 0.46670334828197 0.01622885997343 15.999 > 52 104 O 0.60925540727957 0.96670334828197 0.01622885997343 15.999 > 52 105 O 0.05551113058095 0.06258500740270 0.55288217091327 15.999 > 53 106 O 0.05551113058095 0.56258500740270 0.55288217091327 15.999 > 53 107 O 0.55551113058095 0.43741499259730 0.55288217091327 15.999 > 54 108 O 0.55551113058095 0.93741499259730 0.55288217091327 15.999 > 54 109 O 0.85213475612061 0.25498575754539 0.69100914532524 15.999 > 55 110 O 0.85213475612061 0.75498575754539 0.69100914532524 15.999 > 55 111 O 0.38559653068770 0.30514789475121 0.93495392336848 15.999 > 56 112 O 0.38559653068770 0.80514789475121 0.93495392336848 15.999 > 56 113 O 0.98375256840028 0.23164817029392 0.19729819860750 15.999 > 57 114 O 0.98375256840028 0.73164817029392 0.19729819860750 15.999 > 57 115 O 0.48375256840028 0.26835182970608 0.19729819860750 15.999 > 58 116 O 0.48375256840028 0.76835182970608 0.19729819860750 15.999 > 58 117 O 0.94448886941905 0.43741499259730 0.05288217091327 15.999 > 59 118 O 0.94448886941905 0.93741499259730 0.05288217091327 15.999 > 59 119 O 0.28013537412444 0.20861470916575 0.46579298348422 15.999 > 60 120 O 0.28013537412444 0.70861470916575 0.46579298348422 15.999 > 60 121 O 0.01624743159972 0.26835182970608 0.69729819860750 15.999 > 61 122 O 0.01624743159972 0.76835182970608 0.69729819860750 15.999 > 61 123 O 0.04402351963507 0.28123685796787 0.96631572055370 15.999 > 62 124 O 0.04402351963507 0.78123685796787 0.96631572055370 15.999 > 62 125 O 0.71986462587556 0.29138529083425 0.96579298348422 15.999 > 63 126 O 0.71986462587556 0.79138529083425 0.96579298348422 15.999 > 63 127 O 0.28541590792684 0.46204208520019 0.01744610088985 15.999 > 64 128 O 0.28541590792684 0.96204208520019 0.01744610088985 15.999 > 64 129 O 0.21458409207317 0.46204208520019 0.51744610088985 15.999 > 65 130 O 0.21458409207317 0.96204208520019 0.51744610088985 15.999 > 65 131 O 0.21986462587556 0.20861470916575 0.96579298348422 15.999 > 66 132 O 0.21986462587556 0.70861470916575 0.96579298348422 15.999 > 66 133 O 0.65015559569019 0.49366383983202 0.29014350517040 15.999 > 67 134 O 0.65015559569019 0.99366383983202 0.29014350517040 15.999 > 67 135 O 0.47612719949840 0.02278450376529 0.30062585356238 15.999 > 68 136 O 0.47612719949840 0.52278450376529 0.30062585356238 15.999 > 68 137 O 0.15015559569019 0.00633616016798 0.29014350517040 15.999 > 69 138 O 0.15015559569019 0.50633616016798 0.29014350517040 15.999 > 69 139 O 0.61440346931230 0.19485210524879 0.43495392336848 15.999 > 70 140 O 0.61440346931230 0.69485210524879 0.43495392336848 15.999 > 70 141 O 0.97612719949840 0.47721549623471 0.30062585356238 15.999 > 71 142 O 0.97612719949840 0.97721549623471 0.30062585356238 15.999 > 71 143 O 0.45597648036493 0.28123685796787 0.46631572055370 15.999 > 72 144 O 0.45597648036493 0.78123685796787 0.46631572055370 15.999 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9118624 0.0000000 0.0000000 0.0000000 4.6632003 0.0000000 0.0000000 0.0000000 5.0101922 -------------------------- Born effective charges -------------------------- 1 Cd 2.5597004 -0.4470071 -0.1339116 -0.0623264 2.7949364 -0.1985190 -0.1126843 0.2971161 2.5421985 2 Cd 2.8018211 0.4882832 0.1674910 0.0705340 2.7387171 -0.2893229 0.1104790 0.2912516 2.5562162 3 Cd 2.8018211 0.4882832 -0.1674910 0.0705340 2.7387171 0.2893229 -0.1104790 -0.2912516 2.5562162 4 Cd 2.5597004 0.4470071 -0.1339116 0.0623264 2.7949364 0.1985190 -0.1126843 -0.2971161 2.5421985 5 Cd 2.5597004 0.4470071 0.1339116 0.0623264 2.7949364 -0.1985190 0.1126843 0.2971161 2.5421985 6 Cd 2.5597004 -0.4470071 0.1339116 -0.0623264 2.7949364 0.1985190 0.1126843 -0.2971161 2.5421985 7 Cd 2.8018211 -0.4882832 0.1674910 -0.0705340 2.7387171 0.2893229 0.1104790 -0.2912516 2.5562162 8 Cd 2.8018211 -0.4882832 -0.1674910 -0.0705340 2.7387171 -0.2893229 -0.1104790 0.2912516 2.5562162 9 I 4.0265130 0.0017373 0.4078917 0.2931141 4.7314162 -0.2904422 1.0808057 -0.5557066 4.6604197 10 I 4.9586230 -0.2390216 -0.0043437 -0.1840685 3.5245010 -0.8354330 -0.6348622 -1.4420883 5.0619886 11 I 4.7659718 -0.3753753 0.8539236 -0.3460066 4.3569686 0.4977327 0.9879800 0.7034496 4.7869515 12 I 4.4200182 -0.4973459 -0.2475948 -0.2356213 3.8700606 -0.7557289 0.0424927 -1.0660704 5.2523954 13 I 4.9586230 -0.2390216 0.0043437 -0.1840685 3.5245010 0.8354330 0.6348622 1.4420883 5.0619886 14 I 4.0265130 -0.0017373 0.4078917 -0.2931141 4.7314162 0.2904422 1.0808057 0.5557066 4.6604197 15 I 4.0265130 0.0017373 -0.4078917 0.2931141 4.7314162 0.2904422 -1.0808057 0.5557066 4.6604197 16 I 4.7659718 0.3753753 -0.8539236 0.3460066 4.3569686 0.4977327 -0.9879800 0.7034496 4.7869515 17 I 4.4200182 0.4973459 0.2475948 0.2356213 3.8700606 -0.7557289 -0.0424927 -1.0660704 5.2523954 18 I 4.7659718 0.3753753 0.8539236 0.3460066 4.3569686 -0.4977327 0.9879800 -0.7034496 4.7869515 19 I 4.4200182 -0.4973459 0.2475948 -0.2356213 3.8700606 0.7557289 -0.0424927 1.0660704 5.2523954 20 I 4.9586230 0.2390216 0.0043437 0.1840685 3.5245010 -0.8354330 0.6348622 -1.4420883 5.0619886 21 I 4.0265130 -0.0017373 -0.4078917 -0.2931141 4.7314162 -0.2904422 -1.0808057 -0.5557066 4.6604197 22 I 4.4200182 0.4973459 -0.2475948 0.2356213 3.8700606 0.7557289 0.0424927 1.0660704 5.2523954 23 I 4.9586230 0.2390216 -0.0043437 0.1840685 3.5245010 0.8354330 -0.6348622 1.4420883 5.0619886 24 I 4.7659718 -0.3753753 -0.8539236 -0.3460066 4.3569686 -0.4977327 -0.9879800 -0.7034496 4.7869515 25 O -1.7111600 0.6052524 0.0354809 0.6463088 -2.3066244 -0.5645525 0.5228993 -1.2885680 -1.8829511 26 O -1.9706279 -0.5415552 0.4044036 -1.1193986 -1.7880993 0.1925300 0.1674689 -0.0389411 -1.5044182 27 O -1.1849750 0.6001431 -0.6264550 0.2240627 -1.8466589 1.0191763 -0.0428463 0.9544752 -2.4916868 28 O -2.7060593 0.9502808 -1.0476004 0.2168294 -1.4481992 -0.2029952 -1.2949949 0.3715126 -1.9836865 29 O -2.6548681 -1.2899064 -0.1584780 -0.8091752 -2.1082200 -0.6325878 -0.3965515 -0.9694577 -2.0437761 30 O -1.1849750 -0.6001431 0.6264550 -0.2240627 -1.8466589 1.0191763 0.0428463 0.9544752 -2.4916868 31 O -1.9155432 0.5734185 -0.1402760 0.6244258 -2.2156692 0.3750300 -0.5520469 0.9595967 -1.9171958 32 O -1.2508686 0.7085577 -0.7751882 0.2211712 -1.7603437 0.9497608 -0.0117034 0.8569985 -2.4413989 33 O -2.6548681 1.2899064 0.1584780 0.8091752 -2.1082200 -0.6325878 0.3965515 -0.9694577 -2.0437761 34 O -1.7111600 -0.6052524 0.0354809 -0.6463088 -2.3066244 0.5645525 0.5228993 1.2885680 -1.8829511 35 O -2.6548681 -1.2899064 0.1584780 -0.8091752 -2.1082200 0.6325878 0.3965515 0.9694577 -2.0437761 36 O -2.3926102 -1.2193623 -0.3401957 -0.7107072 -1.8912714 -0.2713095 -0.2916193 -0.7679408 -1.7508136 37 O -1.2508686 -0.7085577 0.7751882 -0.2211712 -1.7603437 0.9497608 0.0117034 0.8569985 -2.4413989 38 O -2.7060593 -0.9502808 -1.0476004 -0.2168294 -1.4481992 0.2029952 -1.2949949 -0.3715126 -1.9836865 39 O -2.4625917 -0.9441897 -0.8424846 -0.3402144 -1.4380575 -0.0676961 -0.9141578 -0.4281541 -1.5684458 40 O -1.9706279 -0.5415552 -0.4044036 -1.1193986 -1.7880993 -0.1925300 -0.1674689 0.0389411 -1.5044182 41 O -2.4625917 0.9441897 -0.8424846 0.3402144 -1.4380575 0.0676961 -0.9141578 0.4281541 -1.5684458 42 O -2.3926102 1.2193623 0.3401957 0.7107072 -1.8912714 -0.2713095 0.2916193 -0.7679408 -1.7508136 43 O -2.4625917 -0.9441897 0.8424846 -0.3402144 -1.4380575 0.0676961 0.9141578 0.4281541 -1.5684458 44 O -2.4625917 0.9441897 0.8424846 0.3402144 -1.4380575 -0.0676961 0.9141578 -0.4281541 -1.5684458 45 O -1.5775055 -0.7028223 0.0823324 -0.7553162 -1.7119062 -0.3857830 0.2085057 -0.6776559 -2.7951212 46 O -2.3926102 1.2193623 -0.3401957 0.7107072 -1.8912714 0.2713095 -0.2916193 0.7679408 -1.7508136 47 O -2.3926102 -1.2193623 0.3401957 -0.7107072 -1.8912714 0.2713095 0.2916193 0.7679408 -1.7508136 48 O -2.1000323 -0.6234381 -0.2910484 -1.0995076 -1.7462810 -0.2153070 -0.1512505 0.0440883 -1.4976100 49 O -1.6058057 -0.6430914 0.3342020 -0.7856039 -1.7552691 -0.2701972 0.2823738 -0.6986220 -2.9830661 50 O -1.5775055 -0.7028223 -0.0823324 -0.7553162 -1.7119062 0.3857830 -0.2085057 0.6776559 -2.7951212 51 O -1.5775055 0.7028223 0.0823324 0.7553162 -1.7119062 0.3857830 0.2085057 0.6776559 -2.7951212 52 O -1.5775055 0.7028223 -0.0823324 0.7553162 -1.7119062 -0.3857830 -0.2085057 -0.6776559 -2.7951212 53 O -2.1000323 0.6234381 0.2910484 1.0995076 -1.7462810 -0.2153070 0.1512505 0.0440883 -1.4976100 54 O -2.1000323 -0.6234381 0.2910484 -1.0995076 -1.7462810 0.2153070 0.1512505 -0.0440883 -1.4976100 55 O -2.6548681 1.2899064 -0.1584780 0.8091752 -2.1082200 0.6325878 -0.3965515 0.9694577 -2.0437761 56 O -1.9706279 0.5415552 -0.4044036 1.1193986 -1.7880993 0.1925300 -0.1674689 -0.0389411 -1.5044182 57 O -1.9155432 -0.5734185 0.1402760 -0.6244258 -2.2156692 0.3750300 0.5520469 0.9595967 -1.9171958 58 O -1.9155432 0.5734185 0.1402760 0.6244258 -2.2156692 -0.3750300 0.5520469 -0.9595967 -1.9171958 59 O -2.1000323 0.6234381 -0.2910484 1.0995076 -1.7462810 0.2153070 -0.1512505 -0.0440883 -1.4976100 60 O -1.6058057 0.6430914 0.3342020 0.7856039 -1.7552691 0.2701972 0.2823738 0.6986220 -2.9830661 61 O -1.9155432 -0.5734185 -0.1402760 -0.6244258 -2.2156692 -0.3750300 -0.5520469 -0.9595967 -1.9171958 62 O -1.2508686 0.7085577 0.7751882 0.2211712 -1.7603437 -0.9497608 0.0117034 -0.8569985 -2.4413989 63 O -1.6058057 0.6430914 -0.3342020 0.7856039 -1.7552691 -0.2701972 -0.2823738 -0.6986220 -2.9830661 64 O -1.1849750 0.6001431 0.6264550 0.2240627 -1.8466589 -1.0191763 0.0428463 -0.9544752 -2.4916868 65 O -1.1849750 -0.6001431 -0.6264550 -0.2240627 -1.8466589 -1.0191763 -0.0428463 -0.9544752 -2.4916868 66 O -1.6058057 -0.6430914 -0.3342020 -0.7856039 -1.7552691 0.2701972 -0.2823738 0.6986220 -2.9830661 67 O -1.7111600 -0.6052524 -0.0354809 -0.6463088 -2.3066244 -0.5645525 -0.5228993 -1.2885680 -1.8829511 68 O -2.7060593 0.9502808 1.0476004 0.2168294 -1.4481992 0.2029952 1.2949949 -0.3715126 -1.9836865 69 O -1.7111600 0.6052524 -0.0354809 0.6463088 -2.3066244 0.5645525 -0.5228993 1.2885680 -1.8829511 70 O -1.9706279 0.5415552 0.4044036 1.1193986 -1.7880993 -0.1925300 0.1674689 0.0389411 -1.5044182 71 O -2.7060593 -0.9502808 1.0476004 -0.2168294 -1.4481992 -0.2029952 1.2949949 0.3715126 -1.9836865 72 O -1.2508686 -0.7085577 -0.7751882 -0.2211712 -1.7603437 -0.9497608 -0.0117034 -0.8569985 -2.4413989 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 224 eigenvectors found. (2) Block: 500 / 592 (2) 228 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 163 (1) Compute compressed projector. (1) Use standard solver. (1) 127 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 224 eigenvectors found. (2) Block: 500 / 592 (2) 230 eigenvectors found. (2) Block: 592 / 592 (2) 82 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 165 (1) Compute compressed projector. (1) Use standard solver. (1) 129 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 61 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 218 eigenvectors found. (2) Block: 500 / 592 (2) 226 eigenvectors found. (2) Block: 592 / 592 (2) 82 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 171 (1) Compute compressed projector. (1) Use standard solver. (1) 135 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11718), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 135), data: (2592, 171) @ (171, 135) |-- (592, 560), data: False |-- (592, 34), data: (592, 66) @ (66, 34) |-- (92, 82), data: True |-- (250, 226), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 216), data: True |-- (250, 216), data: True |-- (500, 466), data: False |-- (500, 29), data: (500, 63) @ (63, 29) |-- (250, 221), data: True |-- (250, 216), data: True |-- (500, 466), data: False |-- (500, 16), data: (500, 50) @ (50, 16) |-- (250, 222), data: True |-- (250, 228), data: True |-- (500, 465), data: False |-- (500, 26), data: (500, 61) @ (61, 26) |-- (250, 224), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 129), data: (2592, 165) @ (165, 129) |-- (592, 566), data: False |-- (592, 30), data: (592, 56) @ (56, 30) |-- (92, 82), data: True |-- (250, 230), data: True |-- (250, 224), data: True |-- (500, 467), data: False |-- (500, 30), data: (500, 63) @ (63, 30) |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 466), data: False |-- (500, 29), data: (500, 63) @ (63, 29) |-- (250, 221), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 214), data: True |-- (250, 226), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 127), data: (2592, 163) @ (163, 127) |-- (592, 566), data: False |-- (592, 36), data: (592, 62) @ (62, 36) |-- (92, 78), data: True |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 469), data: False |-- (500, 22), data: (500, 53) @ (53, 22) |-- (250, 219), data: True |-- (250, 228), data: True |-- (500, 466), data: False |-- (500, 26), data: (500, 60) @ (60, 26) |-- (250, 224), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 214), data: True |-- (250, 226), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 2160 - Time: 5.990 Solver_block: 200 / 2160 - Time: 8.756 Solver_block: 300 / 2160 - Time: 9.238 Solver_block: 400 / 2160 - Time: 4.821 Solver_block: 500 / 2160 - Time: 4.979 Solver_block: 600 / 2160 - Time: 6.457 Solver_block: 700 / 2160 - Time: 8.976 Solver_block: 800 / 2160 - Time: 5.409 Solver_block: 900 / 2160 - Time: 5.880 Solver_block: 1000 / 2160 - Time: 6.836 Solver_block: 1100 / 2160 - Time: 7.096 Solver_block: 1200 / 2160 - Time: 6.055 Solver_block: 1300 / 2160 - Time: 4.301 Solver_block: 1400 / 2160 - Time: 5.894 Solver_block: 1500 / 2160 - Time: 6.334 Solver_block: 1600 / 2160 - Time: 4.917 Solver_block: 1700 / 2160 - Time: 3.668 Solver_block: 1800 / 2160 - Time: 6.120 Solver_block: 1900 / 2160 - Time: 7.970 Solver_block: 2000 / 2160 - Time: 6.354 Solver_block: 2100 / 2160 - Time: 5.970 Solver_block: 2160 / 2160 - Time: 2.682 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 139.559 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 71 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 53 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 224 eigenvectors found. (2) Block: 500 / 592 (2) 228 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 163 (1) Compute compressed projector. (1) Use standard solver. (1) 127 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 224 eigenvectors found. (2) Block: 500 / 592 (2) 230 eigenvectors found. (2) Block: 592 / 592 (2) 82 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 165 (1) Compute compressed projector. (1) Use standard solver. (1) 129 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 61 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 63 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 218 eigenvectors found. (2) Block: 500 / 592 (2) 226 eigenvectors found. (2) Block: 592 / 592 (2) 82 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 171 (1) Compute compressed projector. (1) Use standard solver. (1) 135 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11718), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 135), data: (2592, 171) @ (171, 135) |-- (592, 560), data: False |-- (592, 34), data: (592, 66) @ (66, 34) |-- (92, 82), data: True |-- (250, 226), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 216), data: True |-- (250, 216), data: True |-- (500, 466), data: False |-- (500, 29), data: (500, 63) @ (63, 29) |-- (250, 221), data: True |-- (250, 216), data: True |-- (500, 466), data: False |-- (500, 16), data: (500, 50) @ (50, 16) |-- (250, 222), data: True |-- (250, 228), data: True |-- (500, 465), data: False |-- (500, 26), data: (500, 61) @ (61, 26) |-- (250, 224), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 129), data: (2592, 165) @ (165, 129) |-- (592, 566), data: False |-- (592, 30), data: (592, 56) @ (56, 30) |-- (92, 82), data: True |-- (250, 230), data: True |-- (250, 224), data: True |-- (500, 467), data: False |-- (500, 30), data: (500, 63) @ (63, 30) |-- (250, 218), data: True |-- (250, 219), data: True |-- (500, 466), data: False |-- (500, 29), data: (500, 63) @ (63, 29) |-- (250, 221), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 214), data: True |-- (250, 226), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 127), data: (2592, 163) @ (163, 127) |-- (592, 566), data: False |-- (592, 36), data: (592, 62) @ (62, 36) |-- (92, 78), data: True |-- (250, 228), data: True |-- (250, 224), data: True |-- (500, 469), data: False |-- (500, 22), data: (500, 53) @ (53, 22) |-- (250, 219), data: True |-- (250, 228), data: True |-- (500, 466), data: False |-- (500, 26), data: (500, 60) @ (60, 26) |-- (250, 224), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 24), data: (500, 60) @ (60, 24) |-- (250, 214), data: True |-- (250, 226), data: True |-- (500, 464), data: False |-- (500, 35), data: (500, 71) @ (71, 35) |-- (250, 215), data: True |-- (250, 214), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:46:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:46:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 17.425085379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.454655390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.024198269999999 Atomic positions (fractional): 1 Cd 0.11208183386832 0.77667836047020 0.63221558667865 112.411 2 Cd 0.94110672407073 0.72353769625653 0.85015339925243 112.411 3 Cd 0.05889327592927 0.27646230374347 0.35015339925243 112.411 4 Cd 0.61208183386832 0.22332163952980 0.63221558667865 112.411 5 Cd 0.38791816613168 0.77667836047020 0.13221558667865 112.411 6 Cd 0.88791816613168 0.22332163952980 0.13221558667865 112.411 7 Cd 0.44110672407072 0.27646230374347 0.85015339925243 112.411 8 Cd 0.55889327592927 0.72353769625653 0.35015339925243 112.411 9 I 0.20040630027873 0.76449612193738 0.37235387270733 126.904 10 I 0.88907871720723 0.80158393893518 0.36268470294729 126.904 11 I 0.96861732138064 0.27985883672013 0.61174479933558 126.904 12 I 0.77775544268906 0.71264404621286 0.62122662704040 126.904 13 I 0.11092128279277 0.19841606106482 0.86268470294729 126.904 14 I 0.70040630027873 0.23550387806262 0.37235387270733 126.904 15 I 0.79959369972127 0.23550387806262 0.87235387270733 126.904 16 I 0.53138267861936 0.27985883672013 0.11174479933558 126.904 17 I 0.72224455731094 0.71264404621286 0.12122662704041 126.904 18 I 0.46861732138064 0.72014116327987 0.61174479933558 126.904 19 I 0.22224455731094 0.28735595378714 0.12122662704041 126.904 20 I 0.61092128279277 0.80158393893518 0.86268470294729 126.904 21 I 0.29959369972127 0.76449612193738 0.87235387270733 126.904 22 I 0.27775544268906 0.28735595378714 0.62122662704040 126.904 23 I 0.38907871720723 0.19841606106482 0.36268470294729 126.904 24 I 0.03138267861936 0.72014116327987 0.11174479933558 126.904 25 O 0.84984440430981 0.98732767966404 0.79014350517040 15.999 26 O 0.11440346931230 0.61029578950243 0.43495392336848 15.999 27 O 0.71458409207316 0.07591582959962 0.51744610088985 15.999 28 O 0.52387280050160 0.95443099246942 0.80062585356238 15.999 29 O 0.35213475612061 0.49002848490923 0.69100914532524 15.999 30 O 0.78541590792684 0.07591582959962 0.01744610088985 15.999 31 O 0.51624743159972 0.46329634058783 0.69729819860750 15.999 32 O 0.95597648036493 0.43752628406426 0.46631572055370 15.999 33 O 0.14786524387939 0.49002848490923 0.19100914532524 15.999 34 O 0.34984440430981 0.01267232033596 0.79014350517040 15.999 35 O 0.64786524387939 0.50997151509077 0.19100914532524 15.999 36 O 0.32374544315373 0.96946075572194 0.29161406186623 15.999 37 O 0.54402351963507 0.43752628406426 0.96631572055370 15.999 38 O 0.02387280050160 0.04556900753058 0.80062585356238 15.999 39 O 0.30462709916327 0.45666720749637 0.18291046832362 15.999 40 O 0.88559653068770 0.38970421049757 0.93495392336848 15.999 41 O 0.80462709916327 0.54333279250363 0.18291046832362 15.999 42 O 0.17625455684627 0.96946075572194 0.79161406186623 15.999 43 O 0.69537290083673 0.54333279250363 0.68291046832362 15.999 44 O 0.19537290083673 0.45666720749637 0.68291046832362 15.999 45 O 0.89074459272043 0.93340669656394 0.51622885997343 15.999 46 O 0.82374544315373 0.03053924427806 0.29161406186623 15.999 47 O 0.67625455684627 0.03053924427806 0.79161406186623 15.999 48 O 0.44448886941905 0.12517001480541 0.05288217091327 15.999 49 O 0.78013537412444 0.58277058166850 0.46579298348422 15.999 50 O 0.10925540727957 0.06659330343606 0.01622885997343 15.999 51 O 0.39074459272043 0.06659330343606 0.51622885997343 15.999 52 O 0.60925540727957 0.93340669656394 0.01622885997343 15.999 53 O 0.05551113058095 0.12517001480541 0.55288217091327 15.999 54 O 0.55551113058095 0.87482998519459 0.55288217091327 15.999 55 O 0.85213475612061 0.50997151509077 0.69100914532524 15.999 56 O 0.38559653068770 0.61029578950243 0.93495392336848 15.999 57 O 0.98375256840028 0.46329634058783 0.19729819860750 15.999 58 O 0.48375256840028 0.53670365941217 0.19729819860750 15.999 59 O 0.94448886941905 0.87482998519459 0.05288217091327 15.999 60 O 0.28013537412444 0.41722941833150 0.46579298348422 15.999 61 O 0.01624743159972 0.53670365941217 0.69729819860750 15.999 62 O 0.04402351963507 0.56247371593574 0.96631572055370 15.999 63 O 0.71986462587556 0.58277058166850 0.96579298348422 15.999 64 O 0.28541590792684 0.92408417040039 0.01744610088985 15.999 65 O 0.21458409207317 0.92408417040039 0.51744610088985 15.999 66 O 0.21986462587556 0.41722941833150 0.96579298348422 15.999 67 O 0.65015559569019 0.98732767966404 0.29014350517040 15.999 68 O 0.47612719949840 0.04556900753058 0.30062585356238 15.999 69 O 0.15015559569019 0.01267232033596 0.29014350517040 15.999 70 O 0.61440346931230 0.38970421049757 0.43495392336848 15.999 71 O 0.97612719949840 0.95443099246942 0.30062585356238 15.999 72 O 0.45597648036493 0.56247371593574 0.46631572055370 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.425085379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.909310780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.024198269999999 Atomic positions (fractional): 1 Cd 0.11208183386832 0.38833918023510 0.63221558667865 112.411 > 1 2 Cd 0.11208183386832 0.88833918023510 0.63221558667865 112.411 > 1 3 Cd 0.94110672407073 0.36176884812827 0.85015339925243 112.411 > 3 4 Cd 0.94110672407073 0.86176884812827 0.85015339925243 112.411 > 3 5 Cd 0.05889327592927 0.13823115187173 0.35015339925243 112.411 > 5 6 Cd 0.05889327592927 0.63823115187173 0.35015339925243 112.411 > 5 7 Cd 0.61208183386832 0.11166081976490 0.63221558667865 112.411 > 7 8 Cd 0.61208183386832 0.61166081976490 0.63221558667865 112.411 > 7 9 Cd 0.38791816613168 0.38833918023510 0.13221558667865 112.411 > 9 10 Cd 0.38791816613168 0.88833918023510 0.13221558667865 112.411 > 9 11 Cd 0.88791816613168 0.11166081976490 0.13221558667865 112.411 > 11 12 Cd 0.88791816613168 0.61166081976490 0.13221558667865 112.411 > 11 13 Cd 0.44110672407072 0.13823115187173 0.85015339925243 112.411 > 13 14 Cd 0.44110672407072 0.63823115187173 0.85015339925243 112.411 > 13 15 Cd 0.55889327592927 0.36176884812827 0.35015339925243 112.411 > 15 16 Cd 0.55889327592927 0.86176884812827 0.35015339925243 112.411 > 15 17 I 0.20040630027873 0.38224806096869 0.37235387270733 126.904 > 17 18 I 0.20040630027873 0.88224806096869 0.37235387270733 126.904 > 17 19 I 0.88907871720723 0.40079196946759 0.36268470294729 126.904 > 19 20 I 0.88907871720723 0.90079196946759 0.36268470294729 126.904 > 19 21 I 0.96861732138064 0.13992941836006 0.61174479933558 126.904 > 21 22 I 0.96861732138064 0.63992941836006 0.61174479933558 126.904 > 21 23 I 0.77775544268906 0.35632202310643 0.62122662704040 126.904 > 23 24 I 0.77775544268906 0.85632202310643 0.62122662704040 126.904 > 23 25 I 0.11092128279277 0.09920803053241 0.86268470294729 126.904 > 25 26 I 0.11092128279277 0.59920803053241 0.86268470294729 126.904 > 25 27 I 0.70040630027873 0.11775193903131 0.37235387270733 126.904 > 27 28 I 0.70040630027873 0.61775193903131 0.37235387270733 126.904 > 27 29 I 0.79959369972127 0.11775193903131 0.87235387270733 126.904 > 29 30 I 0.79959369972127 0.61775193903131 0.87235387270733 126.904 > 29 31 I 0.53138267861936 0.13992941836006 0.11174479933558 126.904 > 31 32 I 0.53138267861936 0.63992941836006 0.11174479933558 126.904 > 31 33 I 0.72224455731094 0.35632202310643 0.12122662704041 126.904 > 33 34 I 0.72224455731094 0.85632202310643 0.12122662704041 126.904 > 33 35 I 0.46861732138064 0.36007058163994 0.61174479933558 126.904 > 35 36 I 0.46861732138064 0.86007058163994 0.61174479933558 126.904 > 35 37 I 0.22224455731094 0.14367797689357 0.12122662704041 126.904 > 37 38 I 0.22224455731094 0.64367797689357 0.12122662704041 126.904 > 37 39 I 0.61092128279277 0.40079196946759 0.86268470294729 126.904 > 39 40 I 0.61092128279277 0.90079196946759 0.86268470294729 126.904 > 39 41 I 0.29959369972127 0.38224806096869 0.87235387270733 126.904 > 41 42 I 0.29959369972127 0.88224806096869 0.87235387270733 126.904 > 41 43 I 0.27775544268906 0.14367797689357 0.62122662704040 126.904 > 43 44 I 0.27775544268906 0.64367797689357 0.62122662704040 126.904 > 43 45 I 0.38907871720723 0.09920803053241 0.36268470294729 126.904 > 45 46 I 0.38907871720723 0.59920803053241 0.36268470294729 126.904 > 45 47 I 0.03138267861936 0.36007058163994 0.11174479933558 126.904 > 47 48 I 0.03138267861936 0.86007058163994 0.11174479933558 126.904 > 47 49 O 0.84984440430981 0.49366383983202 0.79014350517040 15.999 > 49 50 O 0.84984440430981 0.99366383983202 0.79014350517040 15.999 > 49 51 O 0.11440346931230 0.30514789475121 0.43495392336848 15.999 > 51 52 O 0.11440346931230 0.80514789475121 0.43495392336848 15.999 > 51 53 O 0.71458409207316 0.03795791479981 0.51744610088985 15.999 > 53 54 O 0.71458409207316 0.53795791479981 0.51744610088985 15.999 > 53 55 O 0.52387280050160 0.47721549623471 0.80062585356238 15.999 > 55 56 O 0.52387280050160 0.97721549623471 0.80062585356238 15.999 > 55 57 O 0.35213475612061 0.24501424245461 0.69100914532524 15.999 > 57 58 O 0.35213475612061 0.74501424245461 0.69100914532524 15.999 > 57 59 O 0.78541590792684 0.03795791479981 0.01744610088985 15.999 > 59 60 O 0.78541590792684 0.53795791479981 0.01744610088985 15.999 > 59 61 O 0.51624743159972 0.23164817029392 0.69729819860750 15.999 > 61 62 O 0.51624743159972 0.73164817029392 0.69729819860750 15.999 > 61 63 O 0.95597648036493 0.21876314203213 0.46631572055370 15.999 > 63 64 O 0.95597648036493 0.71876314203213 0.46631572055370 15.999 > 63 65 O 0.14786524387939 0.24501424245461 0.19100914532524 15.999 > 65 66 O 0.14786524387939 0.74501424245461 0.19100914532524 15.999 > 65 67 O 0.34984440430981 0.00633616016798 0.79014350517040 15.999 > 67 68 O 0.34984440430981 0.50633616016798 0.79014350517040 15.999 > 67 69 O 0.64786524387939 0.25498575754539 0.19100914532524 15.999 > 69 70 O 0.64786524387939 0.75498575754539 0.19100914532524 15.999 > 69 71 O 0.32374544315373 0.48473037786097 0.29161406186623 15.999 > 71 72 O 0.32374544315373 0.98473037786097 0.29161406186623 15.999 > 71 73 O 0.54402351963507 0.21876314203213 0.96631572055370 15.999 > 73 74 O 0.54402351963507 0.71876314203213 0.96631572055370 15.999 > 73 75 O 0.02387280050160 0.02278450376529 0.80062585356238 15.999 > 75 76 O 0.02387280050160 0.52278450376529 0.80062585356238 15.999 > 75 77 O 0.30462709916327 0.22833360374819 0.18291046832362 15.999 > 77 78 O 0.30462709916327 0.72833360374819 0.18291046832362 15.999 > 77 79 O 0.88559653068770 0.19485210524879 0.93495392336848 15.999 > 79 80 O 0.88559653068770 0.69485210524879 0.93495392336848 15.999 > 79 81 O 0.80462709916327 0.27166639625181 0.18291046832362 15.999 > 81 82 O 0.80462709916327 0.77166639625181 0.18291046832362 15.999 > 81 83 O 0.17625455684627 0.48473037786097 0.79161406186623 15.999 > 83 84 O 0.17625455684627 0.98473037786097 0.79161406186623 15.999 > 83 85 O 0.69537290083673 0.27166639625181 0.68291046832362 15.999 > 85 86 O 0.69537290083673 0.77166639625181 0.68291046832362 15.999 > 85 87 O 0.19537290083673 0.22833360374819 0.68291046832362 15.999 > 87 88 O 0.19537290083673 0.72833360374819 0.68291046832362 15.999 > 87 89 O 0.89074459272043 0.46670334828197 0.51622885997343 15.999 > 89 90 O 0.89074459272043 0.96670334828197 0.51622885997343 15.999 > 89 91 O 0.82374544315373 0.01526962213903 0.29161406186623 15.999 > 91 92 O 0.82374544315373 0.51526962213903 0.29161406186623 15.999 > 91 93 O 0.67625455684627 0.01526962213903 0.79161406186623 15.999 > 93 94 O 0.67625455684627 0.51526962213903 0.79161406186623 15.999 > 93 95 O 0.44448886941905 0.06258500740270 0.05288217091327 15.999 > 95 96 O 0.44448886941905 0.56258500740270 0.05288217091327 15.999 > 95 97 O 0.78013537412444 0.29138529083425 0.46579298348422 15.999 > 97 98 O 0.78013537412444 0.79138529083425 0.46579298348422 15.999 > 97 99 O 0.10925540727957 0.03329665171803 0.01622885997343 15.999 > 99 100 O 0.10925540727957 0.53329665171803 0.01622885997343 15.999 > 99 101 O 0.39074459272043 0.03329665171803 0.51622885997343 15.999 > 101 102 O 0.39074459272043 0.53329665171803 0.51622885997343 15.999 > 101 103 O 0.60925540727957 0.46670334828197 0.01622885997343 15.999 > 103 104 O 0.60925540727957 0.96670334828197 0.01622885997343 15.999 > 103 105 O 0.05551113058095 0.06258500740270 0.55288217091327 15.999 > 105 106 O 0.05551113058095 0.56258500740270 0.55288217091327 15.999 > 105 107 O 0.55551113058095 0.43741499259730 0.55288217091327 15.999 > 107 108 O 0.55551113058095 0.93741499259730 0.55288217091327 15.999 > 107 109 O 0.85213475612061 0.25498575754539 0.69100914532524 15.999 > 109 110 O 0.85213475612061 0.75498575754539 0.69100914532524 15.999 > 109 111 O 0.38559653068770 0.30514789475121 0.93495392336848 15.999 > 111 112 O 0.38559653068770 0.80514789475121 0.93495392336848 15.999 > 111 113 O 0.98375256840028 0.23164817029392 0.19729819860750 15.999 > 113 114 O 0.98375256840028 0.73164817029392 0.19729819860750 15.999 > 113 115 O 0.48375256840028 0.26835182970608 0.19729819860750 15.999 > 115 116 O 0.48375256840028 0.76835182970608 0.19729819860750 15.999 > 115 117 O 0.94448886941905 0.43741499259730 0.05288217091327 15.999 > 117 118 O 0.94448886941905 0.93741499259730 0.05288217091327 15.999 > 117 119 O 0.28013537412444 0.20861470916575 0.46579298348422 15.999 > 119 120 O 0.28013537412444 0.70861470916575 0.46579298348422 15.999 > 119 121 O 0.01624743159972 0.26835182970608 0.69729819860750 15.999 > 121 122 O 0.01624743159972 0.76835182970608 0.69729819860750 15.999 > 121 123 O 0.04402351963507 0.28123685796787 0.96631572055370 15.999 > 123 124 O 0.04402351963507 0.78123685796787 0.96631572055370 15.999 > 123 125 O 0.71986462587556 0.29138529083425 0.96579298348422 15.999 > 125 126 O 0.71986462587556 0.79138529083425 0.96579298348422 15.999 > 125 127 O 0.28541590792684 0.46204208520019 0.01744610088985 15.999 > 127 128 O 0.28541590792684 0.96204208520019 0.01744610088985 15.999 > 127 129 O 0.21458409207317 0.46204208520019 0.51744610088985 15.999 > 129 130 O 0.21458409207317 0.96204208520019 0.51744610088985 15.999 > 129 131 O 0.21986462587556 0.20861470916575 0.96579298348422 15.999 > 131 132 O 0.21986462587556 0.70861470916575 0.96579298348422 15.999 > 131 133 O 0.65015559569019 0.49366383983202 0.29014350517040 15.999 > 133 134 O 0.65015559569019 0.99366383983202 0.29014350517040 15.999 > 133 135 O 0.47612719949840 0.02278450376529 0.30062585356238 15.999 > 135 136 O 0.47612719949840 0.52278450376529 0.30062585356238 15.999 > 135 137 O 0.15015559569019 0.00633616016798 0.29014350517040 15.999 > 137 138 O 0.15015559569019 0.50633616016798 0.29014350517040 15.999 > 137 139 O 0.61440346931230 0.19485210524879 0.43495392336848 15.999 > 139 140 O 0.61440346931230 0.69485210524879 0.43495392336848 15.999 > 139 141 O 0.97612719949840 0.47721549623471 0.30062585356238 15.999 > 141 142 O 0.97612719949840 0.97721549623471 0.30062585356238 15.999 > 141 143 O 0.45597648036493 0.28123685796787 0.46631572055370 15.999 > 143 144 O 0.45597648036493 0.78123685796787 0.46631572055370 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.9118624 0.0000000 0.0000000 0.0000000 4.6632003 0.0000000 0.0000000 0.0000000 5.0101922 -------------------------- Born effective charges -------------------------- 1 Cd 2.5597004 -0.4470071 -0.1339116 -0.0623264 2.7949364 -0.1985190 -0.1126843 0.2971161 2.5421985 2 Cd 2.8018211 0.4882832 0.1674910 0.0705340 2.7387171 -0.2893229 0.1104790 0.2912516 2.5562162 3 Cd 2.8018211 0.4882832 -0.1674910 0.0705340 2.7387171 0.2893229 -0.1104790 -0.2912516 2.5562162 4 Cd 2.5597004 0.4470071 -0.1339116 0.0623264 2.7949364 0.1985190 -0.1126843 -0.2971161 2.5421985 5 Cd 2.5597004 0.4470071 0.1339116 0.0623264 2.7949364 -0.1985190 0.1126843 0.2971161 2.5421985 6 Cd 2.5597004 -0.4470071 0.1339116 -0.0623264 2.7949364 0.1985190 0.1126843 -0.2971161 2.5421985 7 Cd 2.8018211 -0.4882832 0.1674910 -0.0705340 2.7387171 0.2893229 0.1104790 -0.2912516 2.5562162 8 Cd 2.8018211 -0.4882832 -0.1674910 -0.0705340 2.7387171 -0.2893229 -0.1104790 0.2912516 2.5562162 9 I 4.0265130 0.0017373 0.4078917 0.2931141 4.7314162 -0.2904422 1.0808057 -0.5557066 4.6604197 10 I 4.9586230 -0.2390216 -0.0043437 -0.1840685 3.5245010 -0.8354330 -0.6348622 -1.4420883 5.0619886 11 I 4.7659718 -0.3753753 0.8539236 -0.3460066 4.3569686 0.4977327 0.9879800 0.7034496 4.7869515 12 I 4.4200182 -0.4973459 -0.2475948 -0.2356213 3.8700606 -0.7557289 0.0424927 -1.0660704 5.2523954 13 I 4.9586230 -0.2390216 0.0043437 -0.1840685 3.5245010 0.8354330 0.6348622 1.4420883 5.0619886 14 I 4.0265130 -0.0017373 0.4078917 -0.2931141 4.7314162 0.2904422 1.0808057 0.5557066 4.6604197 15 I 4.0265130 0.0017373 -0.4078917 0.2931141 4.7314162 0.2904422 -1.0808057 0.5557066 4.6604197 16 I 4.7659718 0.3753753 -0.8539236 0.3460066 4.3569686 0.4977327 -0.9879800 0.7034496 4.7869515 17 I 4.4200182 0.4973459 0.2475948 0.2356213 3.8700606 -0.7557289 -0.0424927 -1.0660704 5.2523954 18 I 4.7659718 0.3753753 0.8539236 0.3460066 4.3569686 -0.4977327 0.9879800 -0.7034496 4.7869515 19 I 4.4200182 -0.4973459 0.2475948 -0.2356213 3.8700606 0.7557289 -0.0424927 1.0660704 5.2523954 20 I 4.9586230 0.2390216 0.0043437 0.1840685 3.5245010 -0.8354330 0.6348622 -1.4420883 5.0619886 21 I 4.0265130 -0.0017373 -0.4078917 -0.2931141 4.7314162 -0.2904422 -1.0808057 -0.5557066 4.6604197 22 I 4.4200182 0.4973459 -0.2475948 0.2356213 3.8700606 0.7557289 0.0424927 1.0660704 5.2523954 23 I 4.9586230 0.2390216 -0.0043437 0.1840685 3.5245010 0.8354330 -0.6348622 1.4420883 5.0619886 24 I 4.7659718 -0.3753753 -0.8539236 -0.3460066 4.3569686 -0.4977327 -0.9879800 -0.7034496 4.7869515 25 O -1.7111600 0.6052524 0.0354809 0.6463088 -2.3066244 -0.5645525 0.5228993 -1.2885680 -1.8829511 26 O -1.9706279 -0.5415552 0.4044036 -1.1193986 -1.7880993 0.1925300 0.1674689 -0.0389411 -1.5044182 27 O -1.1849750 0.6001431 -0.6264550 0.2240627 -1.8466589 1.0191763 -0.0428463 0.9544752 -2.4916868 28 O -2.7060593 0.9502808 -1.0476004 0.2168294 -1.4481992 -0.2029952 -1.2949949 0.3715126 -1.9836865 29 O -2.6548681 -1.2899064 -0.1584780 -0.8091752 -2.1082200 -0.6325878 -0.3965515 -0.9694577 -2.0437761 30 O -1.1849750 -0.6001431 0.6264550 -0.2240627 -1.8466589 1.0191763 0.0428463 0.9544752 -2.4916868 31 O -1.9155432 0.5734185 -0.1402760 0.6244258 -2.2156692 0.3750300 -0.5520469 0.9595967 -1.9171958 32 O -1.2508686 0.7085577 -0.7751882 0.2211712 -1.7603437 0.9497608 -0.0117034 0.8569985 -2.4413989 33 O -2.6548681 1.2899064 0.1584780 0.8091752 -2.1082200 -0.6325878 0.3965515 -0.9694577 -2.0437761 34 O -1.7111600 -0.6052524 0.0354809 -0.6463088 -2.3066244 0.5645525 0.5228993 1.2885680 -1.8829511 35 O -2.6548681 -1.2899064 0.1584780 -0.8091752 -2.1082200 0.6325878 0.3965515 0.9694577 -2.0437761 36 O -2.3926102 -1.2193623 -0.3401957 -0.7107072 -1.8912714 -0.2713095 -0.2916193 -0.7679408 -1.7508136 37 O -1.2508686 -0.7085577 0.7751882 -0.2211712 -1.7603437 0.9497608 0.0117034 0.8569985 -2.4413989 38 O -2.7060593 -0.9502808 -1.0476004 -0.2168294 -1.4481992 0.2029952 -1.2949949 -0.3715126 -1.9836865 39 O -2.4625917 -0.9441897 -0.8424846 -0.3402144 -1.4380575 -0.0676961 -0.9141578 -0.4281541 -1.5684458 40 O -1.9706279 -0.5415552 -0.4044036 -1.1193986 -1.7880993 -0.1925300 -0.1674689 0.0389411 -1.5044182 41 O -2.4625917 0.9441897 -0.8424846 0.3402144 -1.4380575 0.0676961 -0.9141578 0.4281541 -1.5684458 42 O -2.3926102 1.2193623 0.3401957 0.7107072 -1.8912714 -0.2713095 0.2916193 -0.7679408 -1.7508136 43 O -2.4625917 -0.9441897 0.8424846 -0.3402144 -1.4380575 0.0676961 0.9141578 0.4281541 -1.5684458 44 O -2.4625917 0.9441897 0.8424846 0.3402144 -1.4380575 -0.0676961 0.9141578 -0.4281541 -1.5684458 45 O -1.5775055 -0.7028223 0.0823324 -0.7553162 -1.7119062 -0.3857830 0.2085057 -0.6776559 -2.7951212 46 O -2.3926102 1.2193623 -0.3401957 0.7107072 -1.8912714 0.2713095 -0.2916193 0.7679408 -1.7508136 47 O -2.3926102 -1.2193623 0.3401957 -0.7107072 -1.8912714 0.2713095 0.2916193 0.7679408 -1.7508136 48 O -2.1000323 -0.6234381 -0.2910484 -1.0995076 -1.7462810 -0.2153070 -0.1512505 0.0440883 -1.4976100 49 O -1.6058057 -0.6430914 0.3342020 -0.7856039 -1.7552691 -0.2701972 0.2823738 -0.6986220 -2.9830661 50 O -1.5775055 -0.7028223 -0.0823324 -0.7553162 -1.7119062 0.3857830 -0.2085057 0.6776559 -2.7951212 51 O -1.5775055 0.7028223 0.0823324 0.7553162 -1.7119062 0.3857830 0.2085057 0.6776559 -2.7951212 52 O -1.5775055 0.7028223 -0.0823324 0.7553162 -1.7119062 -0.3857830 -0.2085057 -0.6776559 -2.7951212 53 O -2.1000323 0.6234381 0.2910484 1.0995076 -1.7462810 -0.2153070 0.1512505 0.0440883 -1.4976100 54 O -2.1000323 -0.6234381 0.2910484 -1.0995076 -1.7462810 0.2153070 0.1512505 -0.0440883 -1.4976100 55 O -2.6548681 1.2899064 -0.1584780 0.8091752 -2.1082200 0.6325878 -0.3965515 0.9694577 -2.0437761 56 O -1.9706279 0.5415552 -0.4044036 1.1193986 -1.7880993 0.1925300 -0.1674689 -0.0389411 -1.5044182 57 O -1.9155432 -0.5734185 0.1402760 -0.6244258 -2.2156692 0.3750300 0.5520469 0.9595967 -1.9171958 58 O -1.9155432 0.5734185 0.1402760 0.6244258 -2.2156692 -0.3750300 0.5520469 -0.9595967 -1.9171958 59 O -2.1000323 0.6234381 -0.2910484 1.0995076 -1.7462810 0.2153070 -0.1512505 -0.0440883 -1.4976100 60 O -1.6058057 0.6430914 0.3342020 0.7856039 -1.7552691 0.2701972 0.2823738 0.6986220 -2.9830661 61 O -1.9155432 -0.5734185 -0.1402760 -0.6244258 -2.2156692 -0.3750300 -0.5520469 -0.9595967 -1.9171958 62 O -1.2508686 0.7085577 0.7751882 0.2211712 -1.7603437 -0.9497608 0.0117034 -0.8569985 -2.4413989 63 O -1.6058057 0.6430914 -0.3342020 0.7856039 -1.7552691 -0.2701972 -0.2823738 -0.6986220 -2.9830661 64 O -1.1849750 0.6001431 0.6264550 0.2240627 -1.8466589 -1.0191763 0.0428463 -0.9544752 -2.4916868 65 O -1.1849750 -0.6001431 -0.6264550 -0.2240627 -1.8466589 -1.0191763 -0.0428463 -0.9544752 -2.4916868 66 O -1.6058057 -0.6430914 -0.3342020 -0.7856039 -1.7552691 0.2701972 -0.2823738 0.6986220 -2.9830661 67 O -1.7111600 -0.6052524 -0.0354809 -0.6463088 -2.3066244 -0.5645525 -0.5228993 -1.2885680 -1.8829511 68 O -2.7060593 0.9502808 1.0476004 0.2168294 -1.4481992 0.2029952 1.2949949 -0.3715126 -1.9836865 69 O -1.7111600 0.6052524 -0.0354809 0.6463088 -2.3066244 0.5645525 -0.5228993 1.2885680 -1.8829511 70 O -1.9706279 0.5415552 0.4044036 1.1193986 -1.7880993 -0.1925300 0.1674689 0.0389411 -1.5044182 71 O -2.7060593 -0.9502808 1.0476004 -0.2168294 -1.4481992 -0.2029952 1.2949949 0.3715126 -1.9836865 72 O -1.2508686 -0.7085577 -0.7751882 -0.2211712 -1.7603437 -0.9497608 -0.0117034 -0.8569985 -2.4413989 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 63, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 95, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:48:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:48:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pca2_1 (29) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 17.425085379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.454655390000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.024198269999999 Atomic positions (fractional): 1 Cd 0.11208183386832 0.77667836047020 0.63221558667865 112.411 2 Cd 0.94110672407073 0.72353769625653 0.85015339925243 112.411 3 Cd 0.05889327592927 0.27646230374347 0.35015339925243 112.411 4 Cd 0.61208183386832 0.22332163952980 0.63221558667865 112.411 5 Cd 0.38791816613168 0.77667836047020 0.13221558667865 112.411 6 Cd 0.88791816613168 0.22332163952980 0.13221558667865 112.411 7 Cd 0.44110672407072 0.27646230374347 0.85015339925243 112.411 8 Cd 0.55889327592927 0.72353769625653 0.35015339925243 112.411 9 I 0.20040630027873 0.76449612193738 0.37235387270733 126.904 10 I 0.88907871720723 0.80158393893518 0.36268470294729 126.904 11 I 0.96861732138064 0.27985883672013 0.61174479933558 126.904 12 I 0.77775544268906 0.71264404621286 0.62122662704040 126.904 13 I 0.11092128279277 0.19841606106482 0.86268470294729 126.904 14 I 0.70040630027873 0.23550387806262 0.37235387270733 126.904 15 I 0.79959369972127 0.23550387806262 0.87235387270733 126.904 16 I 0.53138267861936 0.27985883672013 0.11174479933558 126.904 17 I 0.72224455731094 0.71264404621286 0.12122662704041 126.904 18 I 0.46861732138064 0.72014116327987 0.61174479933558 126.904 19 I 0.22224455731094 0.28735595378714 0.12122662704041 126.904 20 I 0.61092128279277 0.80158393893518 0.86268470294729 126.904 21 I 0.29959369972127 0.76449612193738 0.87235387270733 126.904 22 I 0.27775544268906 0.28735595378714 0.62122662704040 126.904 23 I 0.38907871720723 0.19841606106482 0.36268470294729 126.904 24 I 0.03138267861936 0.72014116327987 0.11174479933558 126.904 25 O 0.84984440430981 0.98732767966404 0.79014350517040 15.999 26 O 0.11440346931230 0.61029578950243 0.43495392336848 15.999 27 O 0.71458409207316 0.07591582959962 0.51744610088985 15.999 28 O 0.52387280050160 0.95443099246942 0.80062585356238 15.999 29 O 0.35213475612061 0.49002848490923 0.69100914532524 15.999 30 O 0.78541590792684 0.07591582959962 0.01744610088985 15.999 31 O 0.51624743159972 0.46329634058783 0.69729819860750 15.999 32 O 0.95597648036493 0.43752628406426 0.46631572055370 15.999 33 O 0.14786524387939 0.49002848490923 0.19100914532524 15.999 34 O 0.34984440430981 0.01267232033596 0.79014350517040 15.999 35 O 0.64786524387939 0.50997151509077 0.19100914532524 15.999 36 O 0.32374544315373 0.96946075572194 0.29161406186623 15.999 37 O 0.54402351963507 0.43752628406426 0.96631572055370 15.999 38 O 0.02387280050160 0.04556900753058 0.80062585356238 15.999 39 O 0.30462709916327 0.45666720749637 0.18291046832362 15.999 40 O 0.88559653068770 0.38970421049757 0.93495392336848 15.999 41 O 0.80462709916327 0.54333279250363 0.18291046832362 15.999 42 O 0.17625455684627 0.96946075572194 0.79161406186623 15.999 43 O 0.69537290083673 0.54333279250363 0.68291046832362 15.999 44 O 0.19537290083673 0.45666720749637 0.68291046832362 15.999 45 O 0.89074459272043 0.93340669656394 0.51622885997343 15.999 46 O 0.82374544315373 0.03053924427806 0.29161406186623 15.999 47 O 0.67625455684627 0.03053924427806 0.79161406186623 15.999 48 O 0.44448886941905 0.12517001480541 0.05288217091327 15.999 49 O 0.78013537412444 0.58277058166850 0.46579298348422 15.999 50 O 0.10925540727957 0.06659330343606 0.01622885997343 15.999 51 O 0.39074459272043 0.06659330343606 0.51622885997343 15.999 52 O 0.60925540727957 0.93340669656394 0.01622885997343 15.999 53 O 0.05551113058095 0.12517001480541 0.55288217091327 15.999 54 O 0.55551113058095 0.87482998519459 0.55288217091327 15.999 55 O 0.85213475612061 0.50997151509077 0.69100914532524 15.999 56 O 0.38559653068770 0.61029578950243 0.93495392336848 15.999 57 O 0.98375256840028 0.46329634058783 0.19729819860750 15.999 58 O 0.48375256840028 0.53670365941217 0.19729819860750 15.999 59 O 0.94448886941905 0.87482998519459 0.05288217091327 15.999 60 O 0.28013537412444 0.41722941833150 0.46579298348422 15.999 61 O 0.01624743159972 0.53670365941217 0.69729819860750 15.999 62 O 0.04402351963507 0.56247371593574 0.96631572055370 15.999 63 O 0.71986462587556 0.58277058166850 0.96579298348422 15.999 64 O 0.28541590792684 0.92408417040039 0.01744610088985 15.999 65 O 0.21458409207317 0.92408417040039 0.51744610088985 15.999 66 O 0.21986462587556 0.41722941833150 0.96579298348422 15.999 67 O 0.65015559569019 0.98732767966404 0.29014350517040 15.999 68 O 0.47612719949840 0.04556900753058 0.30062585356238 15.999 69 O 0.15015559569019 0.01267232033596 0.29014350517040 15.999 70 O 0.61440346931230 0.38970421049757 0.43495392336848 15.999 71 O 0.97612719949840 0.95443099246942 0.30062585356238 15.999 72 O 0.45597648036493 0.56247371593574 0.46631572055370 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.425085379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.909310780000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.024198269999999 Atomic positions (fractional): 1 Cd 0.11208183386832 0.38833918023510 0.63221558667865 112.411 > 1 2 Cd 0.11208183386832 0.88833918023510 0.63221558667865 112.411 > 1 3 Cd 0.94110672407073 0.36176884812827 0.85015339925243 112.411 > 3 4 Cd 0.94110672407073 0.86176884812827 0.85015339925243 112.411 > 3 5 Cd 0.05889327592927 0.13823115187173 0.35015339925243 112.411 > 5 6 Cd 0.05889327592927 0.63823115187173 0.35015339925243 112.411 > 5 7 Cd 0.61208183386832 0.11166081976490 0.63221558667865 112.411 > 7 8 Cd 0.61208183386832 0.61166081976490 0.63221558667865 112.411 > 7 9 Cd 0.38791816613168 0.38833918023510 0.13221558667865 112.411 > 9 10 Cd 0.38791816613168 0.88833918023510 0.13221558667865 112.411 > 9 11 Cd 0.88791816613168 0.11166081976490 0.13221558667865 112.411 > 11 12 Cd 0.88791816613168 0.61166081976490 0.13221558667865 112.411 > 11 13 Cd 0.44110672407072 0.13823115187173 0.85015339925243 112.411 > 13 14 Cd 0.44110672407072 0.63823115187173 0.85015339925243 112.411 > 13 15 Cd 0.55889327592927 0.36176884812827 0.35015339925243 112.411 > 15 16 Cd 0.55889327592927 0.86176884812827 0.35015339925243 112.411 > 15 17 I 0.20040630027873 0.38224806096869 0.37235387270733 126.904 > 17 18 I 0.20040630027873 0.88224806096869 0.37235387270733 126.904 > 17 19 I 0.88907871720723 0.40079196946759 0.36268470294729 126.904 > 19 20 I 0.88907871720723 0.90079196946759 0.36268470294729 126.904 > 19 21 I 0.96861732138064 0.13992941836006 0.61174479933558 126.904 > 21 22 I 0.96861732138064 0.63992941836006 0.61174479933558 126.904 > 21 23 I 0.77775544268906 0.35632202310643 0.62122662704040 126.904 > 23 24 I 0.77775544268906 0.85632202310643 0.62122662704040 126.904 > 23 25 I 0.11092128279277 0.09920803053241 0.86268470294729 126.904 > 25 26 I 0.11092128279277 0.59920803053241 0.86268470294729 126.904 > 25 27 I 0.70040630027873 0.11775193903131 0.37235387270733 126.904 > 27 28 I 0.70040630027873 0.61775193903131 0.37235387270733 126.904 > 27 29 I 0.79959369972127 0.11775193903131 0.87235387270733 126.904 > 29 30 I 0.79959369972127 0.61775193903131 0.87235387270733 126.904 > 29 31 I 0.53138267861936 0.13992941836006 0.11174479933558 126.904 > 31 32 I 0.53138267861936 0.63992941836006 0.11174479933558 126.904 > 31 33 I 0.72224455731094 0.35632202310643 0.12122662704041 126.904 > 33 34 I 0.72224455731094 0.85632202310643 0.12122662704041 126.904 > 33 35 I 0.46861732138064 0.36007058163994 0.61174479933558 126.904 > 35 36 I 0.46861732138064 0.86007058163994 0.61174479933558 126.904 > 35 37 I 0.22224455731094 0.14367797689357 0.12122662704041 126.904 > 37 38 I 0.22224455731094 0.64367797689357 0.12122662704041 126.904 > 37 39 I 0.61092128279277 0.40079196946759 0.86268470294729 126.904 > 39 40 I 0.61092128279277 0.90079196946759 0.86268470294729 126.904 > 39 41 I 0.29959369972127 0.38224806096869 0.87235387270733 126.904 > 41 42 I 0.29959369972127 0.88224806096869 0.87235387270733 126.904 > 41 43 I 0.27775544268906 0.14367797689357 0.62122662704040 126.904 > 43 44 I 0.27775544268906 0.64367797689357 0.62122662704040 126.904 > 43 45 I 0.38907871720723 0.09920803053241 0.36268470294729 126.904 > 45 46 I 0.38907871720723 0.59920803053241 0.36268470294729 126.904 > 45 47 I 0.03138267861936 0.36007058163994 0.11174479933558 126.904 > 47 48 I 0.03138267861936 0.86007058163994 0.11174479933558 126.904 > 47 49 O 0.84984440430981 0.49366383983202 0.79014350517040 15.999 > 49 50 O 0.84984440430981 0.99366383983202 0.79014350517040 15.999 > 49 51 O 0.11440346931230 0.30514789475121 0.43495392336848 15.999 > 51 52 O 0.11440346931230 0.80514789475121 0.43495392336848 15.999 > 51 53 O 0.71458409207316 0.03795791479981 0.51744610088985 15.999 > 53 54 O 0.71458409207316 0.53795791479981 0.51744610088985 15.999 > 53 55 O 0.52387280050160 0.47721549623471 0.80062585356238 15.999 > 55 56 O 0.52387280050160 0.97721549623471 0.80062585356238 15.999 > 55 57 O 0.35213475612061 0.24501424245461 0.69100914532524 15.999 > 57 58 O 0.35213475612061 0.74501424245461 0.69100914532524 15.999 > 57 59 O 0.78541590792684 0.03795791479981 0.01744610088985 15.999 > 59 60 O 0.78541590792684 0.53795791479981 0.01744610088985 15.999 > 59 61 O 0.51624743159972 0.23164817029392 0.69729819860750 15.999 > 61 62 O 0.51624743159972 0.73164817029392 0.69729819860750 15.999 > 61 63 O 0.95597648036493 0.21876314203213 0.46631572055370 15.999 > 63 64 O 0.95597648036493 0.71876314203213 0.46631572055370 15.999 > 63 65 O 0.14786524387939 0.24501424245461 0.19100914532524 15.999 > 65 66 O 0.14786524387939 0.74501424245461 0.19100914532524 15.999 > 65 67 O 0.34984440430981 0.00633616016798 0.79014350517040 15.999 > 67 68 O 0.34984440430981 0.50633616016798 0.79014350517040 15.999 > 67 69 O 0.64786524387939 0.25498575754539 0.19100914532524 15.999 > 69 70 O 0.64786524387939 0.75498575754539 0.19100914532524 15.999 > 69 71 O 0.32374544315373 0.48473037786097 0.29161406186623 15.999 > 71 72 O 0.32374544315373 0.98473037786097 0.29161406186623 15.999 > 71 73 O 0.54402351963507 0.21876314203213 0.96631572055370 15.999 > 73 74 O 0.54402351963507 0.71876314203213 0.96631572055370 15.999 > 73 75 O 0.02387280050160 0.02278450376529 0.80062585356238 15.999 > 75 76 O 0.02387280050160 0.52278450376529 0.80062585356238 15.999 > 75 77 O 0.30462709916327 0.22833360374819 0.18291046832362 15.999 > 77 78 O 0.30462709916327 0.72833360374819 0.18291046832362 15.999 > 77 79 O 0.88559653068770 0.19485210524879 0.93495392336848 15.999 > 79 80 O 0.88559653068770 0.69485210524879 0.93495392336848 15.999 > 79 81 O 0.80462709916327 0.27166639625181 0.18291046832362 15.999 > 81 82 O 0.80462709916327 0.77166639625181 0.18291046832362 15.999 > 81 83 O 0.17625455684627 0.48473037786097 0.79161406186623 15.999 > 83 84 O 0.17625455684627 0.98473037786097 0.79161406186623 15.999 > 83 85 O 0.69537290083673 0.27166639625181 0.68291046832362 15.999 > 85 86 O 0.69537290083673 0.77166639625181 0.68291046832362 15.999 > 85 87 O 0.19537290083673 0.22833360374819 0.68291046832362 15.999 > 87 88 O 0.19537290083673 0.72833360374819 0.68291046832362 15.999 > 87 89 O 0.89074459272043 0.46670334828197 0.51622885997343 15.999 > 89 90 O 0.89074459272043 0.96670334828197 0.51622885997343 15.999 > 89 91 O 0.82374544315373 0.01526962213903 0.29161406186623 15.999 > 91 92 O 0.82374544315373 0.51526962213903 0.29161406186623 15.999 > 91 93 O 0.67625455684627 0.01526962213903 0.79161406186623 15.999 > 93 94 O 0.67625455684627 0.51526962213903 0.79161406186623 15.999 > 93 95 O 0.44448886941905 0.06258500740270 0.05288217091327 15.999 > 95 96 O 0.44448886941905 0.56258500740270 0.05288217091327 15.999 > 95 97 O 0.78013537412444 0.29138529083425 0.46579298348422 15.999 > 97 98 O 0.78013537412444 0.79138529083425 0.46579298348422 15.999 > 97 99 O 0.10925540727957 0.03329665171803 0.01622885997343 15.999 > 99 100 O 0.10925540727957 0.53329665171803 0.01622885997343 15.999 > 99 101 O 0.39074459272043 0.03329665171803 0.51622885997343 15.999 > 101 102 O 0.39074459272043 0.53329665171803 0.51622885997343 15.999 > 101 103 O 0.60925540727957 0.46670334828197 0.01622885997343 15.999 > 103 104 O 0.60925540727957 0.96670334828197 0.01622885997343 15.999 > 103 105 O 0.05551113058095 0.06258500740270 0.55288217091327 15.999 > 105 106 O 0.05551113058095 0.56258500740270 0.55288217091327 15.999 > 105 107 O 0.55551113058095 0.43741499259730 0.55288217091327 15.999 > 107 108 O 0.55551113058095 0.93741499259730 0.55288217091327 15.999 > 107 109 O 0.85213475612061 0.25498575754539 0.69100914532524 15.999 > 109 110 O 0.85213475612061 0.75498575754539 0.69100914532524 15.999 > 109 111 O 0.38559653068770 0.30514789475121 0.93495392336848 15.999 > 111 112 O 0.38559653068770 0.80514789475121 0.93495392336848 15.999 > 111 113 O 0.98375256840028 0.23164817029392 0.19729819860750 15.999 > 113 114 O 0.98375256840028 0.73164817029392 0.19729819860750 15.999 > 113 115 O 0.48375256840028 0.26835182970608 0.19729819860750 15.999 > 115 116 O 0.48375256840028 0.76835182970608 0.19729819860750 15.999 > 115 117 O 0.94448886941905 0.43741499259730 0.05288217091327 15.999 > 117 118 O 0.94448886941905 0.93741499259730 0.05288217091327 15.999 > 117 119 O 0.28013537412444 0.20861470916575 0.46579298348422 15.999 > 119 120 O 0.28013537412444 0.70861470916575 0.46579298348422 15.999 > 119 121 O 0.01624743159972 0.26835182970608 0.69729819860750 15.999 > 121 122 O 0.01624743159972 0.76835182970608 0.69729819860750 15.999 > 121 123 O 0.04402351963507 0.28123685796787 0.96631572055370 15.999 > 123 124 O 0.04402351963507 0.78123685796787 0.96631572055370 15.999 > 123 125 O 0.71986462587556 0.29138529083425 0.96579298348422 15.999 > 125 126 O 0.71986462587556 0.79138529083425 0.96579298348422 15.999 > 125 127 O 0.28541590792684 0.46204208520019 0.01744610088985 15.999 > 127 128 O 0.28541590792684 0.96204208520019 0.01744610088985 15.999 > 127 129 O 0.21458409207317 0.46204208520019 0.51744610088985 15.999 > 129 130 O 0.21458409207317 0.96204208520019 0.51744610088985 15.999 > 129 131 O 0.21986462587556 0.20861470916575 0.96579298348422 15.999 > 131 132 O 0.21986462587556 0.70861470916575 0.96579298348422 15.999 > 131 133 O 0.65015559569019 0.49366383983202 0.29014350517040 15.999 > 133 134 O 0.65015559569019 0.99366383983202 0.29014350517040 15.999 > 133 135 O 0.47612719949840 0.02278450376529 0.30062585356238 15.999 > 135 136 O 0.47612719949840 0.52278450376529 0.30062585356238 15.999 > 135 137 O 0.15015559569019 0.00633616016798 0.29014350517040 15.999 > 137 138 O 0.15015559569019 0.50633616016798 0.29014350517040 15.999 > 137 139 O 0.61440346931230 0.19485210524879 0.43495392336848 15.999 > 139 140 O 0.61440346931230 0.69485210524879 0.43495392336848 15.999 > 139 141 O 0.97612719949840 0.47721549623471 0.30062585356238 15.999 > 141 142 O 0.97612719949840 0.97721549623471 0.30062585356238 15.999 > 141 143 O 0.45597648036493 0.28123685796787 0.46631572055370 15.999 > 143 144 O 0.45597648036493 0.78123685796787 0.46631572055370 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.9118624 0.0000000 0.0000000 0.0000000 4.6632003 0.0000000 0.0000000 0.0000000 5.0101922 -------------------------- Born effective charges -------------------------- 1 Cd 2.5597004 -0.4470071 -0.1339116 -0.0623264 2.7949364 -0.1985190 -0.1126843 0.2971161 2.5421985 2 Cd 2.8018211 0.4882832 0.1674910 0.0705340 2.7387171 -0.2893229 0.1104790 0.2912516 2.5562162 3 Cd 2.8018211 0.4882832 -0.1674910 0.0705340 2.7387171 0.2893229 -0.1104790 -0.2912516 2.5562162 4 Cd 2.5597004 0.4470071 -0.1339116 0.0623264 2.7949364 0.1985190 -0.1126843 -0.2971161 2.5421985 5 Cd 2.5597004 0.4470071 0.1339116 0.0623264 2.7949364 -0.1985190 0.1126843 0.2971161 2.5421985 6 Cd 2.5597004 -0.4470071 0.1339116 -0.0623264 2.7949364 0.1985190 0.1126843 -0.2971161 2.5421985 7 Cd 2.8018211 -0.4882832 0.1674910 -0.0705340 2.7387171 0.2893229 0.1104790 -0.2912516 2.5562162 8 Cd 2.8018211 -0.4882832 -0.1674910 -0.0705340 2.7387171 -0.2893229 -0.1104790 0.2912516 2.5562162 9 I 4.0265130 0.0017373 0.4078917 0.2931141 4.7314162 -0.2904422 1.0808057 -0.5557066 4.6604197 10 I 4.9586230 -0.2390216 -0.0043437 -0.1840685 3.5245010 -0.8354330 -0.6348622 -1.4420883 5.0619886 11 I 4.7659718 -0.3753753 0.8539236 -0.3460066 4.3569686 0.4977327 0.9879800 0.7034496 4.7869515 12 I 4.4200182 -0.4973459 -0.2475948 -0.2356213 3.8700606 -0.7557289 0.0424927 -1.0660704 5.2523954 13 I 4.9586230 -0.2390216 0.0043437 -0.1840685 3.5245010 0.8354330 0.6348622 1.4420883 5.0619886 14 I 4.0265130 -0.0017373 0.4078917 -0.2931141 4.7314162 0.2904422 1.0808057 0.5557066 4.6604197 15 I 4.0265130 0.0017373 -0.4078917 0.2931141 4.7314162 0.2904422 -1.0808057 0.5557066 4.6604197 16 I 4.7659718 0.3753753 -0.8539236 0.3460066 4.3569686 0.4977327 -0.9879800 0.7034496 4.7869515 17 I 4.4200182 0.4973459 0.2475948 0.2356213 3.8700606 -0.7557289 -0.0424927 -1.0660704 5.2523954 18 I 4.7659718 0.3753753 0.8539236 0.3460066 4.3569686 -0.4977327 0.9879800 -0.7034496 4.7869515 19 I 4.4200182 -0.4973459 0.2475948 -0.2356213 3.8700606 0.7557289 -0.0424927 1.0660704 5.2523954 20 I 4.9586230 0.2390216 0.0043437 0.1840685 3.5245010 -0.8354330 0.6348622 -1.4420883 5.0619886 21 I 4.0265130 -0.0017373 -0.4078917 -0.2931141 4.7314162 -0.2904422 -1.0808057 -0.5557066 4.6604197 22 I 4.4200182 0.4973459 -0.2475948 0.2356213 3.8700606 0.7557289 0.0424927 1.0660704 5.2523954 23 I 4.9586230 0.2390216 -0.0043437 0.1840685 3.5245010 0.8354330 -0.6348622 1.4420883 5.0619886 24 I 4.7659718 -0.3753753 -0.8539236 -0.3460066 4.3569686 -0.4977327 -0.9879800 -0.7034496 4.7869515 25 O -1.7111600 0.6052524 0.0354809 0.6463088 -2.3066244 -0.5645525 0.5228993 -1.2885680 -1.8829511 26 O -1.9706279 -0.5415552 0.4044036 -1.1193986 -1.7880993 0.1925300 0.1674689 -0.0389411 -1.5044182 27 O -1.1849750 0.6001431 -0.6264550 0.2240627 -1.8466589 1.0191763 -0.0428463 0.9544752 -2.4916868 28 O -2.7060593 0.9502808 -1.0476004 0.2168294 -1.4481992 -0.2029952 -1.2949949 0.3715126 -1.9836865 29 O -2.6548681 -1.2899064 -0.1584780 -0.8091752 -2.1082200 -0.6325878 -0.3965515 -0.9694577 -2.0437761 30 O -1.1849750 -0.6001431 0.6264550 -0.2240627 -1.8466589 1.0191763 0.0428463 0.9544752 -2.4916868 31 O -1.9155432 0.5734185 -0.1402760 0.6244258 -2.2156692 0.3750300 -0.5520469 0.9595967 -1.9171958 32 O -1.2508686 0.7085577 -0.7751882 0.2211712 -1.7603437 0.9497608 -0.0117034 0.8569985 -2.4413989 33 O -2.6548681 1.2899064 0.1584780 0.8091752 -2.1082200 -0.6325878 0.3965515 -0.9694577 -2.0437761 34 O -1.7111600 -0.6052524 0.0354809 -0.6463088 -2.3066244 0.5645525 0.5228993 1.2885680 -1.8829511 35 O -2.6548681 -1.2899064 0.1584780 -0.8091752 -2.1082200 0.6325878 0.3965515 0.9694577 -2.0437761 36 O -2.3926102 -1.2193623 -0.3401957 -0.7107072 -1.8912714 -0.2713095 -0.2916193 -0.7679408 -1.7508136 37 O -1.2508686 -0.7085577 0.7751882 -0.2211712 -1.7603437 0.9497608 0.0117034 0.8569985 -2.4413989 38 O -2.7060593 -0.9502808 -1.0476004 -0.2168294 -1.4481992 0.2029952 -1.2949949 -0.3715126 -1.9836865 39 O -2.4625917 -0.9441897 -0.8424846 -0.3402144 -1.4380575 -0.0676961 -0.9141578 -0.4281541 -1.5684458 40 O -1.9706279 -0.5415552 -0.4044036 -1.1193986 -1.7880993 -0.1925300 -0.1674689 0.0389411 -1.5044182 41 O -2.4625917 0.9441897 -0.8424846 0.3402144 -1.4380575 0.0676961 -0.9141578 0.4281541 -1.5684458 42 O -2.3926102 1.2193623 0.3401957 0.7107072 -1.8912714 -0.2713095 0.2916193 -0.7679408 -1.7508136 43 O -2.4625917 -0.9441897 0.8424846 -0.3402144 -1.4380575 0.0676961 0.9141578 0.4281541 -1.5684458 44 O -2.4625917 0.9441897 0.8424846 0.3402144 -1.4380575 -0.0676961 0.9141578 -0.4281541 -1.5684458 45 O -1.5775055 -0.7028223 0.0823324 -0.7553162 -1.7119062 -0.3857830 0.2085057 -0.6776559 -2.7951212 46 O -2.3926102 1.2193623 -0.3401957 0.7107072 -1.8912714 0.2713095 -0.2916193 0.7679408 -1.7508136 47 O -2.3926102 -1.2193623 0.3401957 -0.7107072 -1.8912714 0.2713095 0.2916193 0.7679408 -1.7508136 48 O -2.1000323 -0.6234381 -0.2910484 -1.0995076 -1.7462810 -0.2153070 -0.1512505 0.0440883 -1.4976100 49 O -1.6058057 -0.6430914 0.3342020 -0.7856039 -1.7552691 -0.2701972 0.2823738 -0.6986220 -2.9830661 50 O -1.5775055 -0.7028223 -0.0823324 -0.7553162 -1.7119062 0.3857830 -0.2085057 0.6776559 -2.7951212 51 O -1.5775055 0.7028223 0.0823324 0.7553162 -1.7119062 0.3857830 0.2085057 0.6776559 -2.7951212 52 O -1.5775055 0.7028223 -0.0823324 0.7553162 -1.7119062 -0.3857830 -0.2085057 -0.6776559 -2.7951212 53 O -2.1000323 0.6234381 0.2910484 1.0995076 -1.7462810 -0.2153070 0.1512505 0.0440883 -1.4976100 54 O -2.1000323 -0.6234381 0.2910484 -1.0995076 -1.7462810 0.2153070 0.1512505 -0.0440883 -1.4976100 55 O -2.6548681 1.2899064 -0.1584780 0.8091752 -2.1082200 0.6325878 -0.3965515 0.9694577 -2.0437761 56 O -1.9706279 0.5415552 -0.4044036 1.1193986 -1.7880993 0.1925300 -0.1674689 -0.0389411 -1.5044182 57 O -1.9155432 -0.5734185 0.1402760 -0.6244258 -2.2156692 0.3750300 0.5520469 0.9595967 -1.9171958 58 O -1.9155432 0.5734185 0.1402760 0.6244258 -2.2156692 -0.3750300 0.5520469 -0.9595967 -1.9171958 59 O -2.1000323 0.6234381 -0.2910484 1.0995076 -1.7462810 0.2153070 -0.1512505 -0.0440883 -1.4976100 60 O -1.6058057 0.6430914 0.3342020 0.7856039 -1.7552691 0.2701972 0.2823738 0.6986220 -2.9830661 61 O -1.9155432 -0.5734185 -0.1402760 -0.6244258 -2.2156692 -0.3750300 -0.5520469 -0.9595967 -1.9171958 62 O -1.2508686 0.7085577 0.7751882 0.2211712 -1.7603437 -0.9497608 0.0117034 -0.8569985 -2.4413989 63 O -1.6058057 0.6430914 -0.3342020 0.7856039 -1.7552691 -0.2701972 -0.2823738 -0.6986220 -2.9830661 64 O -1.1849750 0.6001431 0.6264550 0.2240627 -1.8466589 -1.0191763 0.0428463 -0.9544752 -2.4916868 65 O -1.1849750 -0.6001431 -0.6264550 -0.2240627 -1.8466589 -1.0191763 -0.0428463 -0.9544752 -2.4916868 66 O -1.6058057 -0.6430914 -0.3342020 -0.7856039 -1.7552691 0.2701972 -0.2823738 0.6986220 -2.9830661 67 O -1.7111600 -0.6052524 -0.0354809 -0.6463088 -2.3066244 -0.5645525 -0.5228993 -1.2885680 -1.8829511 68 O -2.7060593 0.9502808 1.0476004 0.2168294 -1.4481992 0.2029952 1.2949949 -0.3715126 -1.9836865 69 O -1.7111600 0.6052524 -0.0354809 0.6463088 -2.3066244 0.5645525 -0.5228993 1.2885680 -1.8829511 70 O -1.9706279 0.5415552 0.4044036 1.1193986 -1.7880993 -0.1925300 0.1674689 0.0389411 -1.5044182 71 O -2.7060593 -0.9502808 1.0476004 -0.2168294 -1.4481992 -0.2029952 1.2949949 0.3715126 -1.9836865 72 O -1.2508686 -0.7085577 -0.7751882 -0.2211712 -1.7603437 -0.9497608 -0.0117034 -0.8569985 -2.4413989 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 3 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.41, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 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 0.979 ( 0.000 0.000 -0.000) 0.000 1.035 ( 0.000 0.000 0.000) 0.000 1.205 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.432 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 -0.000) 0.000 1.702 ( 0.000 0.000 -0.000) 0.000 1.739 ( 0.000 0.000 -0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 -0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.124 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 -0.000) 0.000 2.322 ( 0.000 0.000 -0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.615 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 -0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 -0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.226 ( 0.000 0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 -0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.499 ( 0.000 0.000 -0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 -0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 -0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 -0.000) 0.000 4.207 ( 0.000 0.000 -0.000) 0.000 4.319 ( 0.000 0.000 -0.000) 0.000 4.333 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 -0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 -0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 -0.000) 0.000 4.901 ( 0.000 0.000 -0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 -0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.089 ( 0.000 0.000 -0.000) 0.000 5.207 ( 0.000 0.000 -0.000) 0.000 5.214 ( 0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 -0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 -0.000) 0.000 5.618 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 -0.000) 0.000 5.865 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 -0.000) 0.000 5.879 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 -0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 -0.000) 0.000 7.104 ( 0.000 0.000 -0.000) 0.000 7.110 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.397 ( 0.000 0.000 0.000) 0.000 7.479 ( 0.000 0.000 0.000) 0.000 7.562 ( 0.000 0.000 -0.000) 0.000 7.575 ( 0.000 0.000 -0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.754 ( 0.000 0.000 -0.000) 0.000 7.822 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 7.942 ( 0.000 0.000 -0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 8.144 ( 0.000 0.000 -0.000) 0.000 8.276 ( 0.000 0.000 -0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 8.322 ( 0.000 0.000 0.000) 0.000 8.723 ( 0.000 0.000 0.000) 0.000 8.773 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 -0.000) 0.000 8.942 ( 0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.040 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.200 ( 0.000 0.000 0.000) 0.000 9.321 ( 0.000 0.000 0.000) 0.000 9.323 ( 0.000 0.000 -0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.447 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 -0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 -0.000) 0.000 9.650 ( 0.000 0.000 -0.000) 0.000 9.839 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.061 ( 0.000 0.000 -0.000) 0.000 10.568 ( 0.000 0.000 0.000) 0.000 10.583 ( 0.000 0.000 0.000) 0.000 10.736 ( 0.000 0.000 -0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 10.837 ( 0.000 0.000 0.000) 0.000 10.966 ( 0.000 0.000 0.000) 0.000 11.089 ( 0.000 0.000 0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.265 ( 0.000 0.000 -0.000) 0.000 11.269 ( 0.000 0.000 0.000) 0.000 11.284 ( 0.000 0.000 0.000) 0.000 11.407 ( 0.000 0.000 -0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 -0.000) 0.000 11.857 ( 0.000 0.000 -0.000) 0.000 11.979 ( 0.000 0.000 -0.000) 0.000 12.011 ( 0.000 0.000 0.000) 0.000 12.013 ( 0.000 0.000 -0.000) 0.000 12.058 ( 0.000 0.000 -0.000) 0.000 12.104 ( 0.000 0.000 -0.000) 0.000 13.210 ( 0.000 0.000 -0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 13.364 ( 0.000 0.000 0.000) 0.000 13.577 ( 0.000 0.000 0.000) 0.000 13.591 ( 0.000 0.000 0.000) 0.000 13.643 ( 0.000 0.000 -0.000) 0.000 13.700 ( 0.000 0.000 -0.000) 0.000 18.032 ( 0.000 0.000 0.000) 0.000 18.205 ( 0.000 0.000 0.000) 0.000 18.389 ( 0.000 0.000 0.000) 0.000 18.488 ( 0.000 0.000 0.000) 0.000 18.548 ( 0.000 0.000 -0.000) 0.000 18.687 ( 0.000 0.000 0.000) 0.000 18.764 ( 0.000 0.000 -0.000) 0.000 18.895 ( 0.000 0.000 0.000) 0.000 19.086 ( 0.000 0.000 0.000) 0.000 19.325 ( 0.000 0.000 0.000) 0.000 19.359 ( 0.000 0.000 0.000) 0.000 19.363 ( 0.000 0.000 -0.000) 0.000 19.634 ( 0.000 0.000 -0.000) 0.000 19.785 ( 0.000 0.000 0.000) 0.000 19.798 ( 0.000 0.000 -0.000) 0.000 19.811 ( 0.000 0.000 0.000) 0.000 19.978 ( 0.000 0.000 0.000) 0.000 20.105 ( 0.000 0.000 0.000) 0.000 20.205 ( 0.000 0.000 -0.000) 0.000 20.214 ( 0.000 0.000 0.000) 0.000 20.249 ( 0.000 0.000 -0.000) 0.000 20.554 ( 0.000 0.000 0.000) 0.000 20.615 ( 0.000 0.000 -0.000) 0.000 20.637 ( 0.000 0.000 0.000) 0.000 20.682 ( 0.000 0.000 0.000) 0.000 20.705 ( 0.000 0.000 -0.000) 0.000 20.760 ( 0.000 0.000 0.000) 0.000 20.828 ( 0.000 0.000 0.000) 0.000 20.944 ( 0.000 0.000 0.000) 0.000 21.057 ( 0.000 0.000 0.000) 0.000 21.125 ( 0.000 0.000 0.000) 0.000 21.149 ( 0.000 0.000 -0.000) 0.000 21.350 ( 0.000 0.000 0.000) 0.000 21.363 ( 0.000 0.000 0.000) 0.000 21.469 ( 0.000 0.000 -0.000) 0.000 21.821 ( 0.000 0.000 0.000) 0.000 21.869 ( 0.000 0.000 0.000) 0.000 21.945 ( 0.000 0.000 0.000) 0.000 22.115 ( 0.000 0.000 -0.000) 0.000 22.297 ( 0.000 0.000 0.000) 0.000 22.372 ( 0.000 0.000 0.000) 0.000 22.388 ( 0.000 0.000 0.000) 0.000 22.517 ( 0.000 0.000 0.000) 0.000 22.613 ( 0.000 0.000 0.000) 0.000 22.798 ( 0.000 0.000 0.000) 0.000 22.866 ( 0.000 0.000 0.000) 0.000 22.878 ( 0.000 0.000 0.000) 0.000 23.017 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.325 ( 17.461 0.000 0.000) 17.461 0.472 ( 23.776 0.000 0.000) 23.776 0.672 ( -17.129 0.000 0.000) 17.129 0.717 ( 36.044 0.000 0.000) 36.044 0.935 ( -22.515 0.000 0.000) 22.515 1.281 ( 3.958 0.000 0.000) 3.958 1.362 ( 8.463 0.000 0.000) 8.463 1.372 ( -20.406 0.000 0.000) 20.406 1.487 ( 2.981 0.000 0.000) 2.981 1.660 ( -10.558 0.000 0.000) 10.558 1.688 ( 9.513 0.000 0.000) 9.513 1.792 ( -2.928 0.000 0.000) 2.928 1.805 ( -7.074 0.000 0.000) 7.074 1.840 ( -3.167 0.000 0.000) 3.167 1.904 ( 8.798 0.000 0.000) 8.798 1.945 ( 0.453 0.000 0.000) 0.453 2.012 ( -4.052 0.000 0.000) 4.052 2.056 ( -2.873 0.000 0.000) 2.873 2.140 ( 0.418 0.000 0.000) 0.418 2.178 ( -6.479 0.000 0.000) 6.479 2.246 ( 0.111 0.000 0.000) 0.111 2.249 ( 4.654 0.000 0.000) 4.654 2.313 ( 0.820 0.000 0.000) 0.820 2.387 ( 10.446 0.000 0.000) 10.446 2.426 ( -7.643 0.000 0.000) 7.643 2.441 ( 4.887 0.000 0.000) 4.887 2.499 ( 2.622 0.000 0.000) 2.622 2.542 ( -4.521 0.000 0.000) 4.521 2.615 ( -1.922 0.000 0.000) 1.922 2.677 ( -5.002 0.000 0.000) 5.002 2.740 ( 7.262 0.000 0.000) 7.262 2.773 ( 3.097 0.000 0.000) 3.097 2.813 ( -1.302 0.000 0.000) 1.302 2.834 ( -1.154 0.000 0.000) 1.154 2.870 ( 4.000 0.000 0.000) 4.000 2.870 ( 3.576 0.000 0.000) 3.576 2.943 ( 3.576 0.000 0.000) 3.576 2.963 ( 0.709 0.000 0.000) 0.709 3.005 ( -0.385 0.000 0.000) 0.385 3.117 ( -8.366 0.000 0.000) 8.366 3.216 ( -3.068 0.000 0.000) 3.068 3.230 ( -1.300 0.000 0.000) 1.300 3.291 ( -1.227 0.000 0.000) 1.227 3.337 ( -3.137 0.000 0.000) 3.137 3.397 ( 2.620 0.000 0.000) 2.620 3.413 ( 1.932 0.000 0.000) 1.932 3.439 ( 0.545 0.000 0.000) 0.545 3.477 ( -3.471 0.000 0.000) 3.471 3.571 ( 5.514 0.000 0.000) 5.514 3.651 ( -2.225 0.000 0.000) 2.225 3.683 ( 3.048 0.000 0.000) 3.048 3.783 ( -6.938 0.000 0.000) 6.938 3.874 ( 1.576 0.000 0.000) 1.576 3.889 ( 0.463 0.000 0.000) 0.463 4.016 ( 3.379 0.000 0.000) 3.379 4.046 ( 3.923 0.000 0.000) 3.923 4.065 ( 5.880 0.000 0.000) 5.880 4.084 ( -0.581 0.000 0.000) 0.581 4.093 ( -3.005 0.000 0.000) 3.005 4.146 ( -1.060 0.000 0.000) 1.060 4.176 ( -2.419 0.000 0.000) 2.419 4.189 ( -0.455 0.000 0.000) 0.455 4.202 ( 1.434 0.000 0.000) 1.434 4.271 ( -3.875 0.000 0.000) 3.875 4.351 ( 3.028 0.000 0.000) 3.028 4.394 ( 1.652 0.000 0.000) 1.652 4.413 ( -2.633 0.000 0.000) 2.633 4.448 ( -3.435 0.000 0.000) 3.435 4.523 ( 4.651 0.000 0.000) 4.651 4.574 ( 3.538 0.000 0.000) 3.538 4.585 ( 0.673 0.000 0.000) 0.673 4.644 ( -4.590 0.000 0.000) 4.590 4.884 ( 0.375 0.000 0.000) 0.375 4.929 ( -3.121 0.000 0.000) 3.121 4.970 ( 1.431 0.000 0.000) 1.431 5.020 ( -2.885 0.000 0.000) 2.885 5.091 ( 2.077 0.000 0.000) 2.077 5.123 ( -1.044 0.000 0.000) 1.044 5.238 ( 2.208 0.000 0.000) 2.208 5.286 ( -2.505 0.000 0.000) 2.505 5.418 ( 0.676 0.000 0.000) 0.676 5.444 ( -2.094 0.000 0.000) 2.094 5.489 ( 0.432 0.000 0.000) 0.432 5.500 ( -0.567 0.000 0.000) 0.567 5.591 ( 0.256 0.000 0.000) 0.256 5.596 ( -0.121 0.000 0.000) 0.121 5.636 ( 1.302 0.000 0.000) 1.302 5.654 ( -0.442 0.000 0.000) 0.442 5.726 ( 3.126 0.000 0.000) 3.126 5.804 ( -4.286 0.000 0.000) 4.286 5.900 ( 0.787 0.000 0.000) 0.787 5.901 ( 2.084 0.000 0.000) 2.084 6.011 ( 3.617 0.000 0.000) 3.617 6.047 ( -0.703 0.000 0.000) 0.703 6.048 ( 3.720 0.000 0.000) 3.720 6.177 ( -6.669 0.000 0.000) 6.669 6.824 ( 0.145 0.000 0.000) 0.145 6.827 ( -0.230 0.000 0.000) 0.230 6.861 ( 1.162 0.000 0.000) 1.162 6.877 ( -0.374 0.000 0.000) 0.374 7.037 ( -0.434 0.000 0.000) 0.434 7.044 ( -1.635 0.000 0.000) 1.635 7.230 ( 6.989 0.000 0.000) 6.989 7.273 ( 1.616 0.000 0.000) 1.616 7.278 ( -0.484 0.000 0.000) 0.484 7.400 ( -8.745 0.000 0.000) 8.745 7.407 ( 1.167 0.000 0.000) 1.167 7.447 ( -2.924 0.000 0.000) 2.924 7.718 ( 4.357 0.000 0.000) 4.357 7.749 ( -0.198 0.000 0.000) 0.198 7.796 ( 2.904 0.000 0.000) 2.904 7.853 ( 3.291 0.000 0.000) 3.291 7.868 ( -3.589 0.000 0.000) 3.589 7.918 ( -2.636 0.000 0.000) 2.636 8.121 ( 0.162 0.000 0.000) 0.162 8.126 ( -0.163 0.000 0.000) 0.163 8.172 ( 2.915 0.000 0.000) 2.915 8.247 ( -4.264 0.000 0.000) 4.264 8.309 ( 1.289 0.000 0.000) 1.289 8.329 ( -0.437 0.000 0.000) 0.437 8.736 ( 1.221 0.000 0.000) 1.221 8.761 ( -1.166 0.000 0.000) 1.166 8.964 ( 1.706 0.000 0.000) 1.706 8.985 ( -0.449 0.000 0.000) 0.449 9.052 ( 1.473 0.000 0.000) 1.473 9.095 ( -2.500 0.000 0.000) 2.500 9.170 ( 1.237 0.000 0.000) 1.237 9.190 ( -0.877 0.000 0.000) 0.877 9.323 ( 0.052 0.000 0.000) 0.052 9.323 ( 0.054 0.000 0.000) 0.054 9.417 ( 0.548 0.000 0.000) 0.548 9.435 ( -1.050 0.000 0.000) 1.050 9.559 ( -0.858 0.000 0.000) 0.858 9.565 ( -0.973 0.000 0.000) 0.973 9.649 ( 1.190 0.000 0.000) 1.190 9.663 ( -0.408 0.000 0.000) 0.408 9.902 ( 5.697 0.000 0.000) 5.697 10.013 ( -4.845 0.000 0.000) 4.845 10.050 ( 1.656 0.000 0.000) 1.656 10.084 ( -1.646 0.000 0.000) 1.646 10.595 ( 1.103 0.000 0.000) 1.103 10.596 ( 1.915 0.000 0.000) 1.915 10.702 ( -1.446 0.000 0.000) 1.446 10.748 ( -4.934 0.000 0.000) 4.934 10.890 ( 3.343 0.000 0.000) 3.343 10.941 ( -1.966 0.000 0.000) 1.966 11.198 ( 7.802 0.000 0.000) 7.802 11.209 ( 2.048 0.000 0.000) 2.048 11.253 ( -1.362 0.000 0.000) 1.362 11.307 ( 1.470 0.000 0.000) 1.470 11.370 ( -6.108 0.000 0.000) 6.108 11.376 ( -2.764 0.000 0.000) 2.764 11.728 ( 0.642 0.000 0.000) 0.642 11.732 ( 0.425 0.000 0.000) 0.425 11.922 ( 1.777 0.000 0.000) 1.777 11.962 ( -1.895 0.000 0.000) 1.895 12.007 ( 0.092 0.000 0.000) 0.092 12.012 ( -0.205 0.000 0.000) 0.205 12.122 ( 1.494 0.000 0.000) 1.494 12.150 ( -1.178 0.000 0.000) 1.178 13.243 ( -0.183 0.000 0.000) 0.183 13.245 ( -0.297 0.000 0.000) 0.297 13.312 ( 1.669 0.000 0.000) 1.669 13.346 ( -1.650 0.000 0.000) 1.650 13.581 ( 0.390 0.000 0.000) 0.390 13.589 ( -0.296 0.000 0.000) 0.296 13.732 ( 2.869 0.000 0.000) 2.869 13.788 ( -2.474 0.000 0.000) 2.474 18.072 ( 3.792 0.000 0.000) 3.792 18.156 ( -4.313 0.000 0.000) 4.313 18.425 ( 3.337 0.000 0.000) 3.337 18.501 ( -4.018 0.000 0.000) 4.018 18.700 ( 1.216 0.000 0.000) 1.216 18.722 ( -0.818 0.000 0.000) 0.818 18.834 ( 6.674 0.000 0.000) 6.674 18.986 ( -8.135 0.000 0.000) 8.135 19.330 ( 0.729 0.000 0.000) 0.729 19.350 ( -1.137 0.000 0.000) 1.137 19.429 ( 6.969 0.000 0.000) 6.969 19.563 ( -6.304 0.000 0.000) 6.304 19.777 ( 0.740 0.000 0.000) 0.740 19.793 ( -0.636 0.000 0.000) 0.636 19.895 ( 6.386 0.000 0.000) 6.386 19.987 ( -1.391 0.000 0.000) 1.391 20.096 ( 1.912 0.000 0.000) 1.912 20.150 ( -3.818 0.000 0.000) 3.818 20.234 ( 2.118 0.000 0.000) 2.118 20.285 ( 0.903 0.000 0.000) 0.903 20.335 ( 0.015 0.000 0.000) 0.015 20.443 ( -7.637 0.000 0.000) 7.637 20.649 ( 1.902 0.000 0.000) 1.902 20.657 ( 0.839 0.000 0.000) 0.839 20.684 ( -1.772 0.000 0.000) 1.772 20.708 ( -3.824 0.000 0.000) 3.824 20.874 ( 3.164 0.000 0.000) 3.164 20.915 ( -0.950 0.000 0.000) 0.950 21.015 ( 5.771 0.000 0.000) 5.771 21.092 ( 0.440 0.000 0.000) 0.440 21.153 ( 0.347 0.000 0.000) 0.347 21.171 ( 2.262 0.000 0.000) 2.262 21.322 ( -2.568 0.000 0.000) 2.568 21.329 ( -1.940 0.000 0.000) 1.940 21.817 ( 0.001 0.000 0.000) 0.001 21.838 ( -2.184 0.000 0.000) 2.184 21.974 ( 2.759 0.000 0.000) 2.759 22.026 ( -2.181 0.000 0.000) 2.181 22.179 ( 5.145 0.000 0.000) 5.145 22.267 ( -3.339 0.000 0.000) 3.339 22.377 ( 0.595 0.000 0.000) 0.595 22.402 ( -2.043 0.000 0.000) 2.043 22.664 ( 4.341 0.000 0.000) 4.341 22.754 ( -4.557 0.000 0.000) 4.557 22.836 ( 0.692 0.000 0.000) 0.692 22.858 ( -1.164 0.000 0.000) 1.164 22.956 ( 3.996 0.000 0.000) 3.996 23.017 ( -2.292 0.000 0.000) 2.292 ======================= Grid point 3 (3/30) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 0.000 21.088 0.000) 21.088 0.452 ( 0.000 22.691 0.000) 22.691 0.722 ( 0.000 34.160 0.000) 34.160 1.099 ( 0.000 5.369 0.000) 5.369 1.110 ( 0.000 6.892 0.000) 6.892 1.255 ( 0.000 4.262 0.000) 4.262 1.279 ( 0.000 -1.558 0.000) 1.558 1.370 ( 0.000 -4.039 0.000) 4.039 1.512 ( 0.000 7.089 0.000) 7.089 1.738 ( 0.000 -1.985 0.000) 1.985 1.841 ( 0.000 0.212 0.000) 0.212 1.849 ( 0.000 8.180 0.000) 8.180 1.881 ( 0.000 -0.655 0.000) 0.655 1.927 ( 0.000 11.716 0.000) 11.716 1.935 ( 0.000 0.699 0.000) 0.699 2.041 ( 0.000 -0.814 0.000) 0.814 2.042 ( 0.000 1.058 0.000) 1.058 2.119 ( 0.000 0.393 0.000) 0.393 2.130 ( 0.000 3.700 0.000) 3.700 2.130 ( 0.000 1.410 0.000) 1.410 2.237 ( 0.000 1.884 0.000) 1.884 2.263 ( 0.000 5.714 0.000) 5.714 2.350 ( 0.000 -0.790 0.000) 0.790 2.372 ( 0.000 2.390 0.000) 2.390 2.383 ( 0.000 3.071 0.000) 3.071 2.436 ( 0.000 -0.008 0.000) 0.008 2.578 ( 0.000 -3.280 0.000) 3.280 2.579 ( 0.000 -2.987 0.000) 2.987 2.601 ( 0.000 2.907 0.000) 2.907 2.631 ( 0.000 3.144 0.000) 3.144 2.686 ( 0.000 -0.568 0.000) 0.568 2.717 ( 0.000 -2.279 0.000) 2.279 2.758 ( 0.000 -0.981 0.000) 0.981 2.811 ( 0.000 3.590 0.000) 3.590 2.863 ( 0.000 -1.047 0.000) 1.047 2.919 ( 0.000 3.440 0.000) 3.440 2.964 ( 0.000 -1.297 0.000) 1.297 2.991 ( 0.000 5.418 0.000) 5.418 3.006 ( 0.000 0.345 0.000) 0.345 3.060 ( 0.000 -2.895 0.000) 2.895 3.139 ( 0.000 -4.552 0.000) 4.552 3.229 ( 0.000 1.283 0.000) 1.283 3.325 ( 0.000 -2.254 0.000) 2.254 3.354 ( 0.000 -5.408 0.000) 5.408 3.359 ( 0.000 0.895 0.000) 0.895 3.418 ( 0.000 0.216 0.000) 0.216 3.460 ( 0.000 -0.549 0.000) 0.549 3.546 ( 0.000 0.178 0.000) 0.178 3.549 ( 0.000 5.672 0.000) 5.672 3.662 ( 0.000 7.742 0.000) 7.742 3.746 ( 0.000 -6.620 0.000) 6.620 3.871 ( 0.000 -1.987 0.000) 1.987 3.895 ( 0.000 -0.288 0.000) 0.288 3.904 ( 0.000 3.157 0.000) 3.157 3.913 ( 0.000 0.556 0.000) 0.556 3.921 ( 0.000 -2.173 0.000) 2.173 4.035 ( 0.000 -4.196 0.000) 4.196 4.044 ( 0.000 0.028 0.000) 0.028 4.136 ( 0.000 0.191 0.000) 0.191 4.162 ( 0.000 0.837 0.000) 0.837 4.175 ( 0.000 7.343 0.000) 7.343 4.195 ( 0.000 -0.582 0.000) 0.582 4.235 ( 0.000 0.630 0.000) 0.630 4.298 ( 0.000 -5.114 0.000) 5.114 4.303 ( 0.000 -1.602 0.000) 1.602 4.391 ( 0.000 -0.335 0.000) 0.335 4.408 ( 0.000 4.040 0.000) 4.040 4.451 ( 0.000 -2.704 0.000) 2.704 4.485 ( 0.000 0.357 0.000) 0.357 4.563 ( 0.000 6.249 0.000) 6.249 4.645 ( 0.000 1.546 0.000) 1.546 4.681 ( 0.000 -0.828 0.000) 0.828 4.865 ( 0.000 -2.727 0.000) 2.727 4.890 ( 0.000 0.976 0.000) 0.976 4.986 ( 0.000 -3.513 0.000) 3.513 5.035 ( 0.000 4.516 0.000) 4.516 5.079 ( 0.000 -0.793 0.000) 0.793 5.080 ( 0.000 0.080 0.000) 0.080 5.193 ( 0.000 1.680 0.000) 1.680 5.311 ( 0.000 5.594 0.000) 5.594 5.396 ( 0.000 -1.328 0.000) 1.328 5.426 ( 0.000 -4.399 0.000) 4.399 5.480 ( 0.000 -1.435 0.000) 1.435 5.538 ( 0.000 -4.878 0.000) 4.878 5.550 ( 0.000 -2.573 0.000) 2.573 5.574 ( 0.000 -1.052 0.000) 1.052 5.588 ( 0.000 -2.607 0.000) 2.607 5.628 ( 0.000 -1.814 0.000) 1.814 5.696 ( 0.000 -1.329 0.000) 1.329 5.733 ( 0.000 -3.725 0.000) 3.725 5.818 ( 0.000 -3.954 0.000) 3.954 5.879 ( 0.000 0.917 0.000) 0.917 5.954 ( 0.000 4.518 0.000) 4.518 6.036 ( 0.000 1.916 0.000) 1.916 6.137 ( 0.000 0.506 0.000) 0.506 6.220 ( 0.000 -2.238 0.000) 2.238 6.546 ( 0.000 0.395 0.000) 0.395 6.770 ( 0.000 -4.273 0.000) 4.273 6.855 ( 0.000 -0.044 0.000) 0.044 6.858 ( 0.000 -0.018 0.000) 0.018 6.991 ( 0.000 -4.112 0.000) 4.112 7.142 ( 0.000 3.663 0.000) 3.663 7.164 ( 0.000 0.291 0.000) 0.291 7.235 ( 0.000 -1.624 0.000) 1.624 7.285 ( 0.000 2.310 0.000) 2.310 7.420 ( 0.000 -0.441 0.000) 0.441 7.477 ( 0.000 -0.332 0.000) 0.332 7.609 ( 0.000 2.423 0.000) 2.423 7.636 ( 0.000 6.182 0.000) 6.182 7.717 ( 0.000 -1.607 0.000) 1.607 7.784 ( 0.000 -0.692 0.000) 0.692 7.798 ( 0.000 -2.139 0.000) 2.139 7.828 ( 0.000 -2.205 0.000) 2.205 7.931 ( 0.000 -2.117 0.000) 2.117 8.066 ( 0.000 -2.459 0.000) 2.459 8.111 ( 0.000 -0.222 0.000) 0.222 8.187 ( 0.000 1.067 0.000) 1.067 8.245 ( 0.000 -3.449 0.000) 3.449 8.297 ( 0.000 0.583 0.000) 0.583 8.308 ( 0.000 -4.058 0.000) 4.058 8.764 ( 0.000 1.550 0.000) 1.550 8.861 ( 0.000 -1.910 0.000) 1.910 8.970 ( 0.000 1.795 0.000) 1.795 9.020 ( 0.000 3.263 0.000) 3.263 9.038 ( 0.000 1.107 0.000) 1.107 9.133 ( 0.000 0.273 0.000) 0.273 9.216 ( 0.000 1.408 0.000) 1.408 9.272 ( 0.000 -1.046 0.000) 1.046 9.342 ( 0.000 0.965 0.000) 0.965 9.358 ( 0.000 -4.131 0.000) 4.131 9.446 ( 0.000 -0.225 0.000) 0.225 9.454 ( 0.000 -0.458 0.000) 0.458 9.572 ( 0.000 -2.695 0.000) 2.695 9.582 ( 0.000 0.490 0.000) 0.490 9.613 ( 0.000 -0.758 0.000) 0.758 9.665 ( 0.000 -1.165 0.000) 1.165 9.834 ( 0.000 -0.929 0.000) 0.929 9.928 ( 0.000 -3.335 0.000) 3.335 10.098 ( 0.000 2.880 0.000) 2.880 10.146 ( 0.000 4.064 0.000) 4.064 10.580 ( 0.000 1.092 0.000) 1.092 10.639 ( 0.000 5.073 0.000) 5.073 10.741 ( 0.000 0.562 0.000) 0.562 10.858 ( 0.000 1.772 0.000) 1.772 10.945 ( 0.000 -1.216 0.000) 1.216 10.982 ( 0.000 -4.939 0.000) 4.939 11.120 ( 0.000 -6.482 0.000) 6.482 11.130 ( 0.000 -0.760 0.000) 0.760 11.294 ( 0.000 2.402 0.000) 2.402 11.321 ( 0.000 3.991 0.000) 3.991 11.394 ( 0.000 4.140 0.000) 4.140 11.592 ( 0.000 -1.339 0.000) 1.339 11.714 ( 0.000 -0.566 0.000) 0.566 11.755 ( 0.000 2.382 0.000) 2.382 11.819 ( 0.000 -2.864 0.000) 2.864 11.971 ( 0.000 -2.657 0.000) 2.657 12.034 ( 0.000 -1.484 0.000) 1.484 12.062 ( 0.000 3.407 0.000) 3.407 12.086 ( 0.000 -0.539 0.000) 0.539 12.164 ( 0.000 3.659 0.000) 3.659 13.207 ( 0.000 -0.350 0.000) 0.350 13.262 ( 0.000 -2.510 0.000) 2.510 13.364 ( 0.000 0.025 0.000) 0.025 13.404 ( 0.000 0.466 0.000) 0.466 13.584 ( 0.000 -0.728 0.000) 0.728 13.606 ( 0.000 -1.852 0.000) 1.852 13.630 ( 0.000 -1.160 0.000) 1.160 13.682 ( 0.000 -1.692 0.000) 1.692 18.073 ( 0.000 3.916 0.000) 3.916 18.274 ( 0.000 2.946 0.000) 2.946 18.394 ( 0.000 0.459 0.000) 0.459 18.509 ( 0.000 0.989 0.000) 0.989 18.583 ( 0.000 2.913 0.000) 2.913 18.686 ( 0.000 0.703 0.000) 0.703 18.812 ( 0.000 -0.428 0.000) 0.428 18.828 ( 0.000 -5.980 0.000) 5.980 19.077 ( 0.000 -2.205 0.000) 2.205 19.268 ( 0.000 -8.543 0.000) 8.543 19.349 ( 0.000 2.513 0.000) 2.513 19.439 ( 0.000 3.765 0.000) 3.765 19.606 ( 0.000 -10.366 0.000) 10.366 19.690 ( 0.000 -5.613 0.000) 5.613 19.787 ( 0.000 -6.263 0.000) 6.263 19.956 ( 0.000 -2.847 0.000) 2.847 20.038 ( 0.000 3.760 0.000) 3.760 20.078 ( 0.000 -7.466 0.000) 7.466 20.212 ( 0.000 7.279 0.000) 7.279 20.259 ( 0.000 0.615 0.000) 0.615 20.455 ( 0.000 -2.123 0.000) 2.123 20.490 ( 0.000 -1.239 0.000) 1.239 20.617 ( 0.000 -5.361 0.000) 5.361 20.637 ( 0.000 -3.108 0.000) 3.108 20.698 ( 0.000 3.814 0.000) 3.814 20.750 ( 0.000 3.196 0.000) 3.196 20.864 ( 0.000 -5.503 0.000) 5.503 20.951 ( 0.000 4.469 0.000) 4.469 20.978 ( 0.000 -6.353 0.000) 6.353 21.075 ( 0.000 -3.250 0.000) 3.250 21.147 ( 0.000 1.886 0.000) 1.886 21.323 ( 0.000 -2.536 0.000) 2.536 21.407 ( 0.000 4.183 0.000) 4.183 21.520 ( 0.000 4.246 0.000) 4.246 21.614 ( 0.000 -7.153 0.000) 7.153 21.685 ( 0.000 -2.973 0.000) 2.973 22.090 ( 0.000 -2.194 0.000) 2.194 22.100 ( 0.000 7.510 0.000) 7.510 22.288 ( 0.000 -0.959 0.000) 0.959 22.341 ( 0.000 -4.304 0.000) 4.304 22.368 ( 0.000 -0.278 0.000) 0.278 22.486 ( 0.000 -2.831 0.000) 2.831 22.504 ( 0.000 -0.964 0.000) 0.964 22.614 ( 0.000 -0.075 0.000) 0.075 22.735 ( 0.000 -5.882 0.000) 5.882 22.843 ( 0.000 -0.515 0.000) 0.515 22.860 ( 0.000 -1.883 0.000) 1.883 23.053 ( 0.000 1.491 0.000) 1.491 ======================= Grid point 4 (4/30) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 13.559 12.044 0.000) 18.136 0.558 ( 10.679 16.140 0.000) 19.353 0.778 ( -13.319 11.182 0.000) 17.390 0.905 ( -21.147 1.512 0.000) 21.201 1.084 ( 24.104 24.860 0.000) 34.628 1.350 ( 8.878 4.594 0.000) 9.996 1.383 ( 8.057 3.814 0.000) 8.914 1.498 ( -3.226 5.895 0.000) 6.720 1.604 ( -4.185 5.518 0.000) 6.926 1.659 ( -9.790 8.474 0.000) 12.948 1.706 ( 1.452 1.662 0.000) 2.207 1.788 ( -2.918 -1.671 0.000) 3.363 1.815 ( -3.726 0.934 0.000) 3.841 1.875 ( -3.553 4.171 0.000) 5.479 1.933 ( -0.389 1.628 0.000) 1.674 1.967 ( -0.728 0.806 0.000) 1.086 2.012 ( 0.473 3.191 0.000) 3.226 2.095 ( -3.383 1.751 0.000) 3.809 2.145 ( 1.144 2.054 0.000) 2.352 2.173 ( -2.695 -0.035 0.000) 2.695 2.252 ( 1.449 0.260 0.000) 1.472 2.294 ( -2.590 1.796 0.000) 3.152 2.357 ( 6.554 0.281 0.000) 6.560 2.399 ( 3.515 3.691 0.000) 5.097 2.415 ( 3.420 -1.845 0.000) 3.886 2.488 ( -2.438 3.481 0.000) 4.249 2.514 ( -0.197 1.001 0.000) 1.020 2.533 ( -2.881 0.674 0.000) 2.959 2.616 ( -2.678 -0.493 0.000) 2.723 2.659 ( -2.841 -1.371 0.000) 3.155 2.688 ( 5.605 -2.527 0.000) 6.148 2.739 ( 2.584 -2.471 0.000) 3.575 2.800 ( 2.299 -1.389 0.000) 2.686 2.813 ( 0.386 1.332 0.000) 1.387 2.860 ( -1.878 -0.315 0.000) 1.904 2.902 ( -2.498 1.208 0.000) 2.775 2.992 ( 0.057 1.849 0.000) 1.850 3.002 ( 3.784 2.932 0.000) 4.787 3.032 ( 1.313 0.875 0.000) 1.578 3.079 ( -0.628 -1.877 0.000) 1.980 3.150 ( 3.881 -0.689 0.000) 3.941 3.239 ( -0.674 0.513 0.000) 0.847 3.295 ( -1.885 -1.973 0.000) 2.729 3.324 ( -6.261 1.114 0.000) 6.359 3.382 ( 2.227 -5.185 0.000) 5.643 3.416 ( -0.684 -3.861 0.000) 3.921 3.460 ( 2.837 2.478 0.000) 3.767 3.500 ( 5.343 0.435 0.000) 5.360 3.537 ( -3.347 4.739 0.000) 5.801 3.660 ( -8.389 -0.579 0.000) 8.409 3.730 ( 5.403 2.351 0.000) 5.892 3.805 ( 1.506 -1.953 0.000) 2.466 3.841 ( -4.235 3.003 0.000) 5.192 3.867 ( -3.018 -0.218 0.000) 3.025 3.999 ( 3.792 0.545 0.000) 3.831 4.022 ( 0.531 -0.777 0.000) 0.942 4.037 ( 0.409 -3.326 0.000) 3.351 4.077 ( 4.962 -0.998 0.000) 5.061 4.099 ( -3.386 -1.527 0.000) 3.714 4.148 ( -2.896 -0.252 0.000) 2.907 4.173 ( 0.496 1.712 0.000) 1.782 4.203 ( 1.803 0.656 0.000) 1.918 4.217 ( -1.377 1.267 0.000) 1.871 4.258 ( -1.718 -0.555 0.000) 1.805 4.330 ( 1.562 -0.505 0.000) 1.641 4.379 ( -1.976 0.462 0.000) 2.029 4.444 ( 4.505 2.591 0.000) 5.197 4.510 ( 1.763 1.253 0.000) 2.163 4.532 ( 1.399 -0.510 0.000) 1.489 4.562 ( 1.347 1.091 0.000) 1.733 4.640 ( -1.468 1.618 0.000) 2.185 4.667 ( -0.634 1.856 0.000) 1.961 4.842 ( 0.848 -1.990 0.000) 2.163 4.899 ( -1.484 -2.759 0.000) 3.133 4.979 ( -1.126 -0.023 0.000) 1.126 4.997 ( -2.077 -0.884 0.000) 2.258 5.081 ( 0.386 0.526 0.000) 0.653 5.084 ( 0.197 0.074 0.000) 0.210 5.285 ( 4.236 0.215 0.000) 4.241 5.313 ( 0.254 3.615 0.000) 3.624 5.398 ( 0.160 -1.620 0.000) 1.628 5.410 ( -1.193 -2.817 0.000) 3.060 5.487 ( 0.607 -1.328 0.000) 1.461 5.515 ( -2.344 -0.400 0.000) 2.378 5.563 ( 1.407 -3.438 0.000) 3.715 5.572 ( 0.019 -2.281 0.000) 2.281 5.596 ( 0.697 -3.183 0.000) 3.259 5.615 ( -1.071 -2.644 0.000) 2.853 5.711 ( 2.593 -1.805 0.000) 3.160 5.773 ( -2.666 -3.011 0.000) 4.022 5.819 ( 3.642 -4.588 0.000) 5.858 5.874 ( -1.875 -1.372 0.000) 2.323 5.985 ( 6.176 1.880 0.000) 6.456 6.074 ( 1.412 1.929 0.000) 2.391 6.105 ( -1.892 1.528 0.000) 2.433 6.159 ( -5.546 -1.393 0.000) 5.718 6.668 ( 7.895 -6.829 0.000) 10.438 6.771 ( -1.747 -6.087 0.000) 6.332 6.815 ( -1.323 -1.075 0.000) 1.705 6.836 ( -1.788 -0.715 0.000) 1.926 7.031 ( 2.836 -0.959 0.000) 2.994 7.085 ( -2.874 1.178 0.000) 3.106 7.237 ( 2.845 -1.073 0.000) 3.040 7.273 ( -0.240 -0.675 0.000) 0.717 7.301 ( 5.716 4.415 0.000) 7.223 7.401 ( -1.936 1.607 0.000) 2.516 7.443 ( -1.910 0.257 0.000) 1.927 7.480 ( -6.286 4.921 0.000) 7.983 7.727 ( 1.091 -2.276 0.000) 2.524 7.738 ( 1.049 0.665 0.000) 1.243 7.769 ( 2.230 -1.544 0.000) 2.712 7.818 ( -1.379 -1.391 0.000) 1.958 7.856 ( 3.644 0.000 0.000) 3.644 7.910 ( -1.946 -1.515 0.000) 2.466 8.084 ( 1.642 -2.289 0.000) 2.817 8.109 ( -0.603 -1.128 0.000) 1.279 8.175 ( -0.151 -0.696 0.000) 0.712 8.206 ( -2.997 -3.666 0.000) 4.735 8.299 ( 1.454 -0.206 0.000) 1.468 8.323 ( -0.603 -1.820 0.000) 1.917 8.784 ( 2.088 1.611 0.000) 2.637 8.833 ( -2.526 0.380 0.000) 2.555 8.988 ( 1.580 1.616 0.000) 2.260 9.016 ( -1.065 1.974 0.000) 2.243 9.059 ( 2.548 1.749 0.000) 3.091 9.113 ( -2.372 0.728 0.000) 2.481 9.218 ( 0.562 2.449 0.000) 2.513 9.249 ( -2.377 2.237 0.000) 3.265 9.343 ( 0.060 1.002 0.000) 1.004 9.355 ( -1.714 0.849 0.000) 1.913 9.383 ( 0.558 -1.613 0.000) 1.707 9.424 ( -2.701 -1.545 0.000) 3.112 9.577 ( -0.222 1.071 0.000) 1.094 9.584 ( -1.184 1.947 0.000) 2.278 9.606 ( 2.194 -2.374 0.000) 3.232 9.645 ( -1.773 -2.232 0.000) 2.850 9.891 ( 4.698 -0.852 0.000) 4.774 9.949 ( -0.161 -3.652 0.000) 3.655 10.084 ( -0.312 2.562 0.000) 2.581 10.114 ( -2.685 2.927 0.000) 3.972 10.604 ( 1.964 1.383 0.000) 2.402 10.634 ( -0.847 3.009 0.000) 3.126 10.736 ( 1.241 2.552 0.000) 2.837 10.826 ( -7.056 2.664 0.000) 7.542 10.908 ( 2.071 0.893 0.000) 2.256 10.964 ( -3.898 1.649 0.000) 4.232 11.059 ( 4.668 -4.698 0.000) 6.622 11.145 ( -3.128 -6.430 0.000) 7.151 11.295 ( 0.254 1.745 0.000) 1.763 11.305 ( -0.851 1.635 0.000) 1.843 11.438 ( 4.208 6.376 0.000) 7.639 11.538 ( -5.496 5.293 0.000) 7.630 11.706 ( 0.935 -1.322 0.000) 1.619 11.729 ( -1.014 0.045 0.000) 1.015 11.871 ( 3.127 -2.664 0.000) 4.108 11.928 ( -2.763 -2.068 0.000) 3.452 12.036 ( 0.220 0.217 0.000) 0.309 12.045 ( -0.797 1.125 0.000) 1.379 12.129 ( 2.195 1.213 0.000) 2.508 12.160 ( -0.916 2.176 0.000) 2.361 13.216 ( 0.782 -0.975 0.000) 1.250 13.237 ( -1.571 -1.535 0.000) 2.196 13.356 ( 0.022 1.898 0.000) 1.899 13.371 ( -1.404 2.032 0.000) 2.470 13.568 ( 0.222 -1.089 0.000) 1.111 13.579 ( -0.578 -0.945 0.000) 1.108 13.702 ( 1.679 -2.621 0.000) 3.113 13.717 ( 1.195 -4.767 0.000) 4.915 18.109 ( 3.521 3.559 0.000) 5.006 18.193 ( -4.904 3.238 0.000) 5.876 18.448 ( 4.435 2.070 0.000) 4.894 18.530 ( -3.261 2.418 0.000) 4.059 18.679 ( 2.522 -1.673 0.000) 3.027 18.714 ( -0.725 0.135 0.000) 0.737 18.818 ( 5.324 -1.544 0.000) 5.544 18.923 ( -2.902 -7.351 0.000) 7.903 19.162 ( 12.444 -16.869 0.000) 20.962 19.284 ( -0.345 -11.607 0.000) 11.612 19.371 ( 1.715 2.261 0.000) 2.838 19.412 ( -2.492 1.952 0.000) 3.165 19.635 ( 2.966 -9.060 0.000) 9.533 19.687 ( -1.565 -8.645 0.000) 8.786 19.832 ( 4.617 -6.558 0.000) 8.020 19.941 ( -6.201 -4.555 0.000) 7.694 20.000 ( 4.411 -2.239 0.000) 4.947 20.085 ( -2.511 -4.656 0.000) 5.290 20.224 ( 2.759 7.994 0.000) 8.457 20.283 ( 0.385 0.503 0.000) 0.634 20.403 ( -3.056 2.424 0.000) 3.901 20.444 ( -3.953 1.473 0.000) 4.218 20.619 ( 0.557 -4.852 0.000) 4.883 20.639 ( -1.879 -2.870 0.000) 3.431 20.679 ( 1.166 0.278 0.000) 1.199 20.717 ( -2.517 1.920 0.000) 3.166 20.923 ( 3.822 -5.559 0.000) 6.746 20.969 ( 0.112 -1.859 0.000) 1.863 21.056 ( 6.050 2.728 0.000) 6.636 21.075 ( 3.245 -2.779 0.000) 4.273 21.161 ( -1.320 -0.357 0.000) 1.368 21.205 ( -8.926 4.492 0.000) 9.992 21.361 ( -0.976 2.870 0.000) 3.031 21.405 ( -5.429 7.016 0.000) 8.871 21.674 ( 2.701 -6.667 0.000) 7.194 21.702 ( -0.272 -5.153 0.000) 5.160 22.105 ( 1.633 5.395 0.000) 5.636 22.142 ( 1.399 0.004 0.000) 1.399 22.201 ( -2.925 4.052 0.000) 4.997 22.256 ( -3.668 -1.177 0.000) 3.852 22.374 ( 0.569 -0.377 0.000) 0.683 22.396 ( -1.681 -0.501 0.000) 1.754 22.648 ( 3.016 -1.794 0.000) 3.509 22.683 ( 1.737 -7.036 0.000) 7.247 22.751 ( 1.482 -5.288 0.000) 5.492 22.784 ( -2.320 -2.985 0.000) 3.780 22.953 ( 5.402 -0.864 0.000) 5.470 23.030 ( -2.535 0.574 0.000) 2.599 ======================= Grid point 6 (5/30) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.000 21.938 0.000) 21.938 0.907 ( 0.000 21.886 0.000) 21.886 1.211 ( 0.000 10.063 0.000) 10.063 1.269 ( 0.000 7.315 0.000) 7.315 1.313 ( 0.000 3.966 0.000) 3.966 1.349 ( 0.000 9.205 0.000) 9.205 1.379 ( 0.000 18.018 0.000) 18.018 1.475 ( 0.000 17.176 0.000) 17.176 1.702 ( 0.000 11.325 0.000) 11.325 1.725 ( 0.000 1.408 0.000) 1.408 1.828 ( 0.000 -2.033 0.000) 2.033 1.867 ( 0.000 2.803 0.000) 2.803 1.954 ( 0.000 0.746 0.000) 0.746 1.992 ( 0.000 1.327 0.000) 1.327 2.039 ( 0.000 1.428 0.000) 1.428 2.060 ( 0.000 2.113 0.000) 2.113 2.110 ( 0.000 1.230 0.000) 1.230 2.142 ( 0.000 5.621 0.000) 5.621 2.174 ( 0.000 1.439 0.000) 1.439 2.190 ( 0.000 2.969 0.000) 2.969 2.299 ( 0.000 0.686 0.000) 0.686 2.325 ( 0.000 -1.923 0.000) 1.923 2.343 ( 0.000 1.595 0.000) 1.595 2.399 ( 0.000 -0.087 0.000) 0.087 2.441 ( 0.000 2.720 0.000) 2.720 2.447 ( 0.000 2.661 0.000) 2.661 2.516 ( 0.000 -1.257 0.000) 1.257 2.564 ( 0.000 4.812 0.000) 4.812 2.607 ( 0.000 -2.182 0.000) 2.182 2.632 ( 0.000 -4.350 0.000) 4.350 2.729 ( 0.000 1.548 0.000) 1.548 2.730 ( 0.000 -0.331 0.000) 0.331 2.777 ( 0.000 -0.301 0.000) 0.301 2.844 ( 0.000 -1.410 0.000) 1.410 2.863 ( 0.000 5.781 0.000) 5.781 2.926 ( 0.000 -1.593 0.000) 1.593 2.984 ( 0.000 0.815 0.000) 0.815 2.991 ( 0.000 -0.673 0.000) 0.673 3.032 ( 0.000 3.434 0.000) 3.434 3.057 ( 0.000 -0.477 0.000) 0.477 3.087 ( 0.000 0.683 0.000) 0.683 3.251 ( 0.000 -2.748 0.000) 2.748 3.299 ( 0.000 1.546 0.000) 1.546 3.305 ( 0.000 2.626 0.000) 2.626 3.318 ( 0.000 -3.150 0.000) 3.150 3.442 ( 0.000 0.809 0.000) 0.809 3.477 ( 0.000 -4.089 0.000) 4.089 3.534 ( 0.000 6.826 0.000) 6.826 3.621 ( 0.000 1.342 0.000) 1.342 3.699 ( 0.000 1.176 0.000) 1.176 3.786 ( 0.000 -2.981 0.000) 2.981 3.798 ( 0.000 3.411 0.000) 3.411 3.917 ( 0.000 0.797 0.000) 0.797 3.920 ( 0.000 3.856 0.000) 3.856 3.943 ( 0.000 -3.927 0.000) 3.927 3.964 ( 0.000 3.623 0.000) 3.623 3.989 ( 0.000 -5.818 0.000) 5.818 4.019 ( 0.000 5.074 0.000) 5.074 4.165 ( 0.000 1.810 0.000) 1.810 4.166 ( 0.000 -2.725 0.000) 2.725 4.190 ( 0.000 3.976 0.000) 3.976 4.198 ( 0.000 -1.037 0.000) 1.037 4.227 ( 0.000 -1.042 0.000) 1.042 4.265 ( 0.000 -0.469 0.000) 0.469 4.358 ( 0.000 7.750 0.000) 7.750 4.408 ( 0.000 -1.280 0.000) 1.280 4.428 ( 0.000 3.276 0.000) 3.276 4.483 ( 0.000 2.461 0.000) 2.461 4.493 ( 0.000 0.171 0.000) 0.171 4.650 ( 0.000 -3.075 0.000) 3.075 4.676 ( 0.000 1.895 0.000) 1.895 4.699 ( 0.000 6.977 0.000) 6.977 4.810 ( 0.000 -1.438 0.000) 1.438 4.834 ( 0.000 -5.339 0.000) 5.339 4.932 ( 0.000 -2.216 0.000) 2.216 5.038 ( 0.000 -3.149 0.000) 3.149 5.093 ( 0.000 1.889 0.000) 1.889 5.134 ( 0.000 2.697 0.000) 2.697 5.221 ( 0.000 0.270 0.000) 0.270 5.339 ( 0.000 -4.291 0.000) 4.291 5.360 ( 0.000 -1.513 0.000) 1.513 5.377 ( 0.000 -8.637 0.000) 8.637 5.430 ( 0.000 1.277 0.000) 1.277 5.443 ( 0.000 2.119 0.000) 2.119 5.475 ( 0.000 -4.960 0.000) 4.960 5.522 ( 0.000 -3.293 0.000) 3.293 5.533 ( 0.000 -3.285 0.000) 3.285 5.599 ( 0.000 -1.262 0.000) 1.262 5.647 ( 0.000 -3.548 0.000) 3.548 5.676 ( 0.000 -1.081 0.000) 1.081 5.748 ( 0.000 -2.475 0.000) 2.475 5.889 ( 0.000 -0.493 0.000) 0.493 6.031 ( 0.000 2.470 0.000) 2.470 6.064 ( 0.000 0.862 0.000) 0.862 6.140 ( 0.000 -0.412 0.000) 0.412 6.177 ( 0.000 -1.490 0.000) 1.490 6.555 ( 0.000 0.519 0.000) 0.519 6.664 ( 0.000 -5.690 0.000) 5.690 6.839 ( 0.000 -1.663 0.000) 1.663 6.841 ( 0.000 -1.005 0.000) 1.005 6.936 ( 0.000 -0.364 0.000) 0.364 7.177 ( 0.000 -2.339 0.000) 2.339 7.189 ( 0.000 2.205 0.000) 2.205 7.216 ( 0.000 1.176 0.000) 1.176 7.374 ( 0.000 5.464 0.000) 5.464 7.409 ( 0.000 -0.587 0.000) 0.587 7.462 ( 0.000 -1.323 0.000) 1.323 7.629 ( 0.000 -0.703 0.000) 0.703 7.690 ( 0.000 -1.060 0.000) 1.060 7.704 ( 0.000 -2.651 0.000) 2.651 7.727 ( 0.000 -1.264 0.000) 1.264 7.790 ( 0.000 1.872 0.000) 1.872 7.892 ( 0.000 0.247 0.000) 0.247 7.896 ( 0.000 5.824 0.000) 5.824 8.025 ( 0.000 -1.913 0.000) 1.913 8.058 ( 0.000 -4.425 0.000) 4.425 8.151 ( 0.000 -4.990 0.000) 4.990 8.168 ( 0.000 -3.084 0.000) 3.084 8.240 ( 0.000 -1.424 0.000) 1.424 8.325 ( 0.000 1.509 0.000) 1.509 8.765 ( 0.000 -0.477 0.000) 0.477 8.828 ( 0.000 -0.943 0.000) 0.943 8.986 ( 0.000 -0.343 0.000) 0.343 9.062 ( 0.000 -0.116 0.000) 0.116 9.064 ( 0.000 1.217 0.000) 1.217 9.137 ( 0.000 -0.144 0.000) 0.144 9.235 ( 0.000 -1.380 0.000) 1.380 9.243 ( 0.000 -1.958 0.000) 1.958 9.276 ( 0.000 -2.343 0.000) 2.343 9.348 ( 0.000 -0.654 0.000) 0.654 9.420 ( 0.000 -2.494 0.000) 2.494 9.422 ( 0.000 -1.796 0.000) 1.796 9.522 ( 0.000 -2.515 0.000) 2.515 9.587 ( 0.000 0.057 0.000) 0.057 9.605 ( 0.000 -3.802 0.000) 3.802 9.639 ( 0.000 2.667 0.000) 2.667 9.846 ( 0.000 2.651 0.000) 2.651 9.890 ( 0.000 -1.268 0.000) 1.268 10.151 ( 0.000 1.939 0.000) 1.939 10.195 ( 0.000 1.075 0.000) 1.075 10.607 ( 0.000 1.524 0.000) 1.524 10.756 ( 0.000 4.341 0.000) 4.341 10.761 ( 0.000 2.463 0.000) 2.463 10.889 ( 0.000 -0.822 0.000) 0.822 10.901 ( 0.000 -1.462 0.000) 1.462 10.911 ( 0.000 -1.773 0.000) 1.773 11.024 ( 0.000 -2.628 0.000) 2.628 11.110 ( 0.000 -0.779 0.000) 0.779 11.316 ( 0.000 0.023 0.000) 0.023 11.410 ( 0.000 3.816 0.000) 3.816 11.426 ( 0.000 -0.030 0.000) 0.030 11.596 ( 0.000 0.923 0.000) 0.923 11.695 ( 0.000 -1.246 0.000) 1.246 11.768 ( 0.000 -1.614 0.000) 1.614 11.807 ( 0.000 2.593 0.000) 2.593 11.928 ( 0.000 -1.417 0.000) 1.417 11.994 ( 0.000 -1.820 0.000) 1.820 12.069 ( 0.000 -0.978 0.000) 0.978 12.141 ( 0.000 3.773 0.000) 3.773 12.236 ( 0.000 3.057 0.000) 3.057 13.195 ( 0.000 -0.871 0.000) 0.871 13.210 ( 0.000 -2.298 0.000) 2.298 13.365 ( 0.000 0.116 0.000) 0.116 13.407 ( 0.000 -0.275 0.000) 0.275 13.559 ( 0.000 -2.184 0.000) 2.184 13.564 ( 0.000 -1.372 0.000) 1.372 13.600 ( 0.000 -1.624 0.000) 1.624 13.636 ( 0.000 -2.613 0.000) 2.613 18.186 ( 0.000 6.962 0.000) 6.962 18.353 ( 0.000 4.292 0.000) 4.292 18.372 ( 0.000 -3.891 0.000) 3.891 18.532 ( 0.000 2.913 0.000) 2.913 18.631 ( 0.000 -9.246 0.000) 9.246 18.641 ( 0.000 2.454 0.000) 2.454 18.782 ( 0.000 4.389 0.000) 4.389 18.837 ( 0.000 2.250 0.000) 2.250 19.011 ( 0.000 -2.845 0.000) 2.845 19.070 ( 0.000 -8.879 0.000) 8.879 19.383 ( 0.000 0.576 0.000) 0.576 19.399 ( 0.000 -9.401 0.000) 9.401 19.544 ( 0.000 5.946 0.000) 5.946 19.606 ( 0.000 -10.287 0.000) 10.287 19.667 ( 0.000 2.971 0.000) 2.971 19.833 ( 0.000 -8.496 0.000) 8.496 19.959 ( 0.000 -4.876 0.000) 4.876 19.994 ( 0.000 -7.970 0.000) 7.970 20.262 ( 0.000 -1.453 0.000) 1.453 20.330 ( 0.000 -1.081 0.000) 1.081 20.396 ( 0.000 -2.037 0.000) 2.037 20.488 ( 0.000 1.298 0.000) 1.298 20.533 ( 0.000 -0.302 0.000) 0.302 20.593 ( 0.000 -1.348 0.000) 1.348 20.623 ( 0.000 -6.220 0.000) 6.220 20.818 ( 0.000 -1.366 0.000) 1.366 20.856 ( 0.000 -0.754 0.000) 0.754 20.896 ( 0.000 6.013 0.000) 6.013 20.936 ( 0.000 -3.558 0.000) 3.558 21.011 ( 0.000 -1.808 0.000) 1.808 21.232 ( 0.000 3.969 0.000) 3.969 21.252 ( 0.000 -4.305 0.000) 4.305 21.477 ( 0.000 -4.981 0.000) 4.981 21.517 ( 0.000 6.164 0.000) 6.164 21.619 ( 0.000 5.214 0.000) 5.214 21.645 ( 0.000 -2.425 0.000) 2.425 22.039 ( 0.000 -2.495 0.000) 2.495 22.195 ( 0.000 1.613 0.000) 1.613 22.236 ( 0.000 -5.389 0.000) 5.389 22.261 ( 0.000 -1.552 0.000) 1.552 22.359 ( 0.000 -0.291 0.000) 0.291 22.411 ( 0.000 -4.316 0.000) 4.316 22.488 ( 0.000 -0.175 0.000) 0.175 22.604 ( 0.000 -0.997 0.000) 0.997 22.607 ( 0.000 -6.270 0.000) 6.270 22.813 ( 0.000 -2.573 0.000) 2.573 22.832 ( 0.000 -0.875 0.000) 0.875 23.047 ( 0.000 -1.982 0.000) 1.982 ======================= Grid point 7 (6/30) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 2.410 20.225 0.000) 20.369 0.934 ( 1.011 18.954 0.000) 18.981 1.024 ( -7.772 13.591 0.000) 15.656 1.094 ( -9.382 14.902 0.000) 17.610 1.459 ( 7.496 6.899 0.000) 10.188 1.471 ( 6.485 7.434 0.000) 9.865 1.584 ( 10.498 3.887 0.000) 11.194 1.630 ( 13.350 20.325 0.000) 24.317 1.678 ( -1.804 5.707 0.000) 5.985 1.755 ( -3.243 3.661 0.000) 4.891 1.779 ( 0.111 2.097 0.000) 2.100 1.827 ( 1.424 2.683 0.000) 3.038 1.922 ( -4.866 1.992 0.000) 5.258 1.960 ( -2.553 1.459 0.000) 2.940 1.980 ( -5.071 5.916 0.000) 7.792 2.010 ( -8.591 8.086 0.000) 11.797 2.085 ( 2.089 2.874 0.000) 3.553 2.148 ( -1.769 1.455 0.000) 2.291 2.167 ( -2.335 1.543 0.000) 2.799 2.174 ( -2.313 0.822 0.000) 2.455 2.279 ( 1.729 2.262 0.000) 2.847 2.306 ( -1.608 1.165 0.000) 1.986 2.370 ( 3.073 1.021 0.000) 3.238 2.397 ( 2.605 0.589 0.000) 2.670 2.449 ( 0.866 1.316 0.000) 1.575 2.490 ( -2.792 -0.965 0.000) 2.954 2.516 ( 5.282 -0.069 0.000) 5.282 2.588 ( -0.934 0.877 0.000) 1.281 2.616 ( -3.652 -1.387 0.000) 3.907 2.625 ( -0.300 -1.365 0.000) 1.398 2.689 ( 1.283 -0.837 0.000) 1.532 2.700 ( 1.515 0.789 0.000) 1.708 2.766 ( -2.650 -2.880 0.000) 3.914 2.801 ( -4.548 -3.900 0.000) 5.991 2.858 ( 1.127 0.707 0.000) 1.330 2.909 ( -3.093 1.477 0.000) 3.427 2.988 ( 4.826 -3.263 0.000) 5.825 3.052 ( 1.066 -1.050 0.000) 1.496 3.065 ( 1.907 3.280 0.000) 3.794 3.095 ( 1.600 3.597 0.000) 3.936 3.153 ( 6.878 1.555 0.000) 7.052 3.241 ( -2.721 -2.080 0.000) 3.425 3.260 ( -3.203 -1.821 0.000) 3.685 3.272 ( -1.348 -1.366 0.000) 1.919 3.313 ( 0.744 2.631 0.000) 2.734 3.384 ( -7.386 -0.777 0.000) 7.427 3.505 ( 3.913 1.019 0.000) 4.044 3.546 ( 0.044 4.818 0.000) 4.818 3.631 ( 3.345 2.610 0.000) 4.243 3.683 ( -0.736 3.281 0.000) 3.363 3.782 ( 2.575 2.465 0.000) 3.565 3.840 ( -4.122 2.890 0.000) 5.034 3.881 ( -0.353 1.744 0.000) 1.780 3.910 ( -3.093 1.032 0.000) 3.261 3.930 ( 0.586 -2.352 0.000) 2.424 3.953 ( -1.594 -3.293 0.000) 3.659 4.024 ( 2.698 0.602 0.000) 2.765 4.056 ( 5.047 -1.128 0.000) 5.172 4.098 ( -2.911 1.118 0.000) 3.118 4.159 ( -3.704 0.014 0.000) 3.704 4.179 ( 1.231 1.109 0.000) 1.657 4.207 ( -0.249 -2.819 0.000) 2.829 4.264 ( 2.035 2.704 0.000) 3.385 4.274 ( 0.269 3.145 0.000) 3.156 4.366 ( 1.022 3.576 0.000) 3.720 4.416 ( -1.848 2.048 0.000) 2.759 4.446 ( 2.020 -2.412 0.000) 3.146 4.472 ( 1.553 -1.739 0.000) 2.331 4.542 ( 2.275 1.281 0.000) 2.611 4.594 ( -3.646 -1.325 0.000) 3.880 4.674 ( 0.102 4.002 0.000) 4.004 4.706 ( -1.541 3.501 0.000) 3.825 4.827 ( 4.002 -0.130 0.000) 4.004 4.865 ( 2.063 -1.293 0.000) 2.435 4.926 ( -0.729 -3.063 0.000) 3.149 4.985 ( -5.160 -1.582 0.000) 5.397 5.109 ( 1.205 1.049 0.000) 1.598 5.129 ( -0.702 2.447 0.000) 2.546 5.268 ( 3.742 -2.632 0.000) 4.575 5.328 ( -2.408 -2.958 0.000) 3.814 5.356 ( 0.201 -1.929 0.000) 1.939 5.362 ( -0.206 -2.140 0.000) 2.149 5.427 ( 1.609 -7.058 0.000) 7.239 5.446 ( 0.818 -2.171 0.000) 2.320 5.494 ( -0.724 -1.165 0.000) 1.372 5.505 ( -2.325 -3.391 0.000) 4.111 5.540 ( 2.048 -2.011 0.000) 2.871 5.580 ( -1.830 -1.340 0.000) 2.268 5.660 ( 2.276 -2.767 0.000) 3.583 5.714 ( -2.509 -2.438 0.000) 3.498 5.763 ( 5.422 -1.350 0.000) 5.588 5.854 ( -3.634 -1.181 0.000) 3.821 6.040 ( 2.584 2.440 0.000) 3.554 6.099 ( 2.213 0.045 0.000) 2.214 6.108 ( -3.201 -0.572 0.000) 3.252 6.145 ( -2.635 0.107 0.000) 2.637 6.596 ( 3.398 -1.652 0.000) 3.778 6.652 ( -1.823 -4.974 0.000) 5.297 6.802 ( -0.723 -0.181 0.000) 0.746 6.821 ( -1.652 -0.916 0.000) 1.889 7.010 ( 4.964 -0.448 0.000) 4.984 7.102 ( -4.631 0.942 0.000) 4.726 7.228 ( 1.025 -0.117 0.000) 1.031 7.239 ( 0.884 -2.409 0.000) 2.566 7.365 ( 1.639 0.494 0.000) 1.712 7.421 ( -2.946 -0.879 0.000) 3.074 7.481 ( 5.189 4.602 0.000) 6.936 7.592 ( -4.833 4.065 0.000) 6.315 7.673 ( -0.465 -1.917 0.000) 1.973 7.679 ( -1.121 -3.329 0.000) 3.513 7.781 ( 3.371 -1.591 0.000) 3.728 7.831 ( 3.068 3.560 0.000) 4.699 7.845 ( -1.710 -2.774 0.000) 3.259 7.906 ( -1.963 3.158 0.000) 3.718 8.039 ( 1.832 -2.292 0.000) 2.934 8.072 ( 0.682 -2.050 0.000) 2.160 8.104 ( -1.461 -4.842 0.000) 5.058 8.147 ( -3.025 -2.820 0.000) 4.135 8.276 ( 2.755 -1.040 0.000) 2.945 8.316 ( -1.177 0.737 0.000) 1.389 8.784 ( 1.632 -0.685 0.000) 1.770 8.814 ( -1.321 -1.008 0.000) 1.661 9.004 ( 1.684 -0.238 0.000) 1.701 9.040 ( -1.820 0.379 0.000) 1.859 9.082 ( 1.645 -0.007 0.000) 1.645 9.120 ( -1.745 -0.210 0.000) 1.757 9.242 ( 0.993 -0.841 0.000) 1.301 9.263 ( 0.237 -0.241 0.000) 0.338 9.288 ( 2.437 -4.147 0.000) 4.810 9.351 ( -0.236 -0.488 0.000) 0.542 9.361 ( -3.457 -2.404 0.000) 4.211 9.390 ( -2.779 -1.090 0.000) 2.985 9.539 ( 2.037 -3.148 0.000) 3.750 9.579 ( -1.560 -3.118 0.000) 3.487 9.624 ( 1.300 1.272 0.000) 1.819 9.638 ( -0.255 2.648 0.000) 2.660 9.883 ( 2.806 0.333 0.000) 2.825 9.908 ( 0.810 -0.711 0.000) 1.078 10.137 ( -0.200 2.258 0.000) 2.267 10.169 ( -2.527 2.090 0.000) 3.280 10.638 ( 2.934 1.812 0.000) 3.448 10.705 ( -3.823 3.389 0.000) 5.109 10.783 ( 2.224 2.068 0.000) 3.037 10.839 ( -3.250 -0.512 0.000) 3.290 10.926 ( 2.050 0.427 0.000) 2.094 10.951 ( 0.651 -1.737 0.000) 1.855 11.015 ( -0.065 -0.997 0.000) 0.999 11.051 ( -3.603 -2.491 0.000) 4.380 11.321 ( 1.575 1.389 0.000) 2.100 11.371 ( -3.040 3.498 0.000) 4.634 11.498 ( 5.006 -0.064 0.000) 5.006 11.580 ( -2.826 -0.046 0.000) 2.827 11.695 ( 1.243 0.161 0.000) 1.253 11.736 ( -2.348 0.311 0.000) 2.369 11.846 ( 2.800 0.336 0.000) 2.820 11.898 ( -2.465 -0.826 0.000) 2.599 12.013 ( 1.379 -1.585 0.000) 2.101 12.042 ( -1.751 -0.824 0.000) 1.935 12.179 ( 2.649 3.025 0.000) 4.021 12.221 ( -1.556 3.021 0.000) 3.398 13.197 ( 0.205 -1.045 0.000) 1.065 13.203 ( -0.479 -1.631 0.000) 1.700 13.376 ( 0.972 0.427 0.000) 1.062 13.397 ( -0.990 0.343 0.000) 1.048 13.542 ( -0.226 -1.348 0.000) 1.367 13.552 ( -0.792 -1.537 0.000) 1.729 13.633 ( 1.356 -3.356 0.000) 3.620 13.641 ( 0.272 -3.090 0.000) 3.102 18.210 ( 2.374 6.032 0.000) 6.482 18.270 ( -3.882 3.754 0.000) 5.401 18.475 ( 5.700 -1.377 0.000) 5.864 18.558 ( -1.775 -0.789 0.000) 1.942 18.662 ( 2.253 -1.487 0.000) 2.699 18.680 ( 2.829 -4.901 0.000) 5.659 18.771 ( 1.933 2.402 0.000) 3.083 18.824 ( -1.348 0.249 0.000) 1.371 18.984 ( -0.511 -3.523 0.000) 3.560 19.039 ( -3.725 -8.818 0.000) 9.572 19.392 ( 1.814 -3.971 0.000) 4.366 19.451 ( -2.518 -3.769 0.000) 4.532 19.501 ( 3.482 0.315 0.000) 3.496 19.577 ( -2.052 0.024 0.000) 2.052 19.703 ( 2.625 -4.783 0.000) 5.456 19.797 ( -6.529 -7.940 0.000) 10.279 19.936 ( 3.750 -5.043 0.000) 6.285 20.006 ( -2.011 -5.391 0.000) 5.754 20.268 ( 1.429 -2.305 0.000) 2.712 20.308 ( -2.054 -2.636 0.000) 3.342 20.446 ( 3.304 0.712 0.000) 3.380 20.484 ( -0.924 3.763 0.000) 3.875 20.539 ( 2.264 -1.422 0.000) 2.674 20.603 ( -2.039 -0.489 0.000) 2.097 20.655 ( 3.974 -3.440 0.000) 5.256 20.756 ( -5.751 1.770 0.000) 6.017 20.813 ( 0.760 -3.709 0.000) 3.786 20.863 ( -3.626 -4.348 0.000) 5.662 21.009 ( 6.111 -1.325 0.000) 6.253 21.072 ( 2.313 -1.117 0.000) 2.569 21.195 ( -2.439 0.507 0.000) 2.491 21.225 ( -3.753 -0.201 0.000) 3.758 21.431 ( 2.461 2.931 0.000) 3.827 21.530 ( -6.163 4.111 0.000) 7.408 21.611 ( 3.252 0.369 0.000) 3.273 21.646 ( -0.809 -0.334 0.000) 0.875 22.088 ( 4.215 -2.545 0.000) 4.924 22.164 ( -2.799 -1.420 0.000) 3.139 22.232 ( -0.584 -0.701 0.000) 0.912 22.237 ( -1.440 0.006 0.000) 1.440 22.360 ( 0.338 -0.825 0.000) 0.892 22.377 ( -1.402 -1.582 0.000) 2.114 22.550 ( 2.752 -5.087 0.000) 5.784 22.575 ( -0.657 -5.248 0.000) 5.289 22.670 ( 3.649 -2.507 0.000) 4.427 22.740 ( -3.812 -1.973 0.000) 4.292 22.925 ( 5.506 -1.887 0.000) 5.821 23.014 ( -3.392 -2.091 0.000) 3.985 ======================= Grid point 9 (7/30) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 20.427 0.000) 20.427 1.326 ( 0.000 18.152 0.000) 18.152 1.410 ( 0.000 10.282 0.000) 10.282 1.429 ( 0.000 8.543 0.000) 8.543 1.461 ( 0.000 9.820 0.000) 9.820 1.578 ( 0.000 11.295 0.000) 11.295 1.599 ( 0.000 8.425 0.000) 8.425 1.784 ( 0.000 7.602 0.000) 7.602 1.788 ( 0.000 2.760 0.000) 2.760 1.817 ( 0.000 1.958 0.000) 1.958 1.877 ( 0.000 3.188 0.000) 3.188 1.945 ( 0.000 -1.345 0.000) 1.345 1.975 ( 0.000 -0.292 0.000) 0.292 1.977 ( 0.000 3.846 0.000) 3.846 2.092 ( 0.000 0.642 0.000) 0.642 2.106 ( 0.000 3.044 0.000) 3.044 2.147 ( 0.000 1.788 0.000) 1.788 2.217 ( 0.000 2.295 0.000) 2.295 2.241 ( 0.000 3.208 0.000) 3.208 2.260 ( 0.000 2.843 0.000) 2.843 2.287 ( 0.000 4.751 0.000) 4.751 2.288 ( 0.000 -1.863 0.000) 1.863 2.356 ( 0.000 -2.838 0.000) 2.838 2.358 ( 0.000 2.202 0.000) 2.202 2.455 ( 0.000 -3.063 0.000) 3.063 2.463 ( 0.000 -1.798 0.000) 1.798 2.523 ( 0.000 -2.042 0.000) 2.042 2.539 ( 0.000 -1.625 0.000) 1.625 2.575 ( 0.000 0.122 0.000) 0.122 2.643 ( 0.000 -3.732 0.000) 3.732 2.672 ( 0.000 -4.950 0.000) 4.950 2.688 ( 0.000 0.387 0.000) 0.387 2.779 ( 0.000 2.927 0.000) 2.927 2.838 ( 0.000 1.036 0.000) 1.036 2.913 ( 0.000 -0.360 0.000) 0.360 2.929 ( 0.000 -2.563 0.000) 2.563 2.949 ( 0.000 -3.161 0.000) 3.161 2.998 ( 0.000 3.541 0.000) 3.541 3.105 ( 0.000 3.222 0.000) 3.222 3.124 ( 0.000 1.724 0.000) 1.724 3.127 ( 0.000 3.303 0.000) 3.303 3.216 ( 0.000 0.707 0.000) 0.707 3.311 ( 0.000 2.487 0.000) 2.487 3.335 ( 0.000 5.879 0.000) 5.879 3.425 ( 0.000 -1.613 0.000) 1.613 3.433 ( 0.000 4.090 0.000) 4.090 3.474 ( 0.000 5.973 0.000) 5.973 3.540 ( 0.000 -1.680 0.000) 1.680 3.686 ( 0.000 -2.674 0.000) 2.674 3.693 ( 0.000 -2.885 0.000) 2.885 3.747 ( 0.000 0.564 0.000) 0.564 3.830 ( 0.000 1.118 0.000) 1.118 3.880 ( 0.000 -2.162 0.000) 2.162 3.914 ( 0.000 1.484 0.000) 1.484 4.004 ( 0.000 -0.457 0.000) 0.457 4.009 ( 0.000 1.105 0.000) 1.105 4.021 ( 0.000 6.803 0.000) 6.803 4.082 ( 0.000 0.134 0.000) 0.134 4.086 ( 0.000 1.834 0.000) 1.834 4.167 ( 0.000 -0.125 0.000) 0.125 4.207 ( 0.000 -2.618 0.000) 2.618 4.246 ( 0.000 4.822 0.000) 4.822 4.285 ( 0.000 5.091 0.000) 5.091 4.353 ( 0.000 6.094 0.000) 6.094 4.377 ( 0.000 -2.434 0.000) 2.434 4.449 ( 0.000 -1.475 0.000) 1.475 4.473 ( 0.000 -3.870 0.000) 3.870 4.476 ( 0.000 3.354 0.000) 3.354 4.534 ( 0.000 3.995 0.000) 3.995 4.582 ( 0.000 -1.044 0.000) 1.044 4.710 ( 0.000 0.319 0.000) 0.319 4.737 ( 0.000 -3.562 0.000) 3.562 4.842 ( 0.000 6.459 0.000) 6.459 4.856 ( 0.000 5.305 0.000) 5.305 4.889 ( 0.000 -1.749 0.000) 1.749 4.932 ( 0.000 -5.546 0.000) 5.546 5.110 ( 0.000 -0.792 0.000) 0.792 5.133 ( 0.000 -2.924 0.000) 2.924 5.176 ( 0.000 -7.997 0.000) 7.997 5.217 ( 0.000 -0.102 0.000) 0.102 5.310 ( 0.000 -1.325 0.000) 1.325 5.331 ( 0.000 -1.322 0.000) 1.322 5.369 ( 0.000 -4.994 0.000) 4.994 5.381 ( 0.000 -5.173 0.000) 5.173 5.435 ( 0.000 0.046 0.000) 0.046 5.477 ( 0.000 -1.464 0.000) 1.464 5.526 ( 0.000 -4.757 0.000) 4.757 5.577 ( 0.000 4.474 0.000) 4.474 5.612 ( 0.000 0.098 0.000) 0.098 5.685 ( 0.000 1.655 0.000) 1.655 5.712 ( 0.000 -1.288 0.000) 1.288 5.851 ( 0.000 -2.901 0.000) 2.901 6.053 ( 0.000 0.025 0.000) 0.025 6.071 ( 0.000 -0.159 0.000) 0.159 6.119 ( 0.000 -1.495 0.000) 1.495 6.147 ( 0.000 -2.191 0.000) 2.191 6.560 ( 0.000 -4.044 0.000) 4.044 6.571 ( 0.000 1.097 0.000) 1.097 6.792 ( 0.000 -2.824 0.000) 2.824 6.833 ( 0.000 0.272 0.000) 0.272 6.977 ( 0.000 4.088 0.000) 4.088 7.123 ( 0.000 -2.305 0.000) 2.305 7.221 ( 0.000 -0.855 0.000) 0.855 7.248 ( 0.000 3.135 0.000) 3.135 7.397 ( 0.000 -1.230 0.000) 1.230 7.413 ( 0.000 -3.152 0.000) 3.152 7.458 ( 0.000 2.657 0.000) 2.657 7.611 ( 0.000 -0.636 0.000) 0.636 7.634 ( 0.000 -2.758 0.000) 2.758 7.656 ( 0.000 -2.216 0.000) 2.216 7.736 ( 0.000 1.265 0.000) 1.265 7.754 ( 0.000 -3.296 0.000) 3.296 7.917 ( 0.000 -2.442 0.000) 2.442 7.961 ( 0.000 -4.280 0.000) 4.280 7.995 ( 0.000 -0.699 0.000) 0.699 8.026 ( 0.000 5.314 0.000) 5.314 8.075 ( 0.000 0.197 0.000) 0.197 8.141 ( 0.000 1.027 0.000) 1.027 8.217 ( 0.000 -1.354 0.000) 1.354 8.346 ( 0.000 0.413 0.000) 0.413 8.763 ( 0.000 0.240 0.000) 0.240 8.830 ( 0.000 0.999 0.000) 0.999 8.968 ( 0.000 -0.770 0.000) 0.770 9.028 ( 0.000 -2.677 0.000) 2.677 9.081 ( 0.000 0.302 0.000) 0.302 9.126 ( 0.000 -0.666 0.000) 0.666 9.160 ( 0.000 -4.011 0.000) 4.011 9.196 ( 0.000 -2.419 0.000) 2.419 9.250 ( 0.000 -2.122 0.000) 2.122 9.317 ( 0.000 -1.761 0.000) 1.761 9.382 ( 0.000 -0.714 0.000) 0.714 9.401 ( 0.000 -0.249 0.000) 0.249 9.470 ( 0.000 -2.216 0.000) 2.216 9.530 ( 0.000 -3.542 0.000) 3.542 9.584 ( 0.000 -0.316 0.000) 0.316 9.688 ( 0.000 2.077 0.000) 2.077 9.858 ( 0.000 -1.763 0.000) 1.763 9.922 ( 0.000 3.748 0.000) 3.748 10.168 ( 0.000 -0.215 0.000) 0.215 10.203 ( 0.000 -0.027 0.000) 0.027 10.642 ( 0.000 1.833 0.000) 1.833 10.789 ( 0.000 1.448 0.000) 1.448 10.817 ( 0.000 -3.533 0.000) 3.533 10.829 ( 0.000 1.411 0.000) 1.411 10.909 ( 0.000 0.379 0.000) 0.379 10.911 ( 0.000 1.397 0.000) 1.397 10.996 ( 0.000 -0.922 0.000) 0.922 11.097 ( 0.000 -0.622 0.000) 0.622 11.309 ( 0.000 -0.413 0.000) 0.413 11.426 ( 0.000 0.174 0.000) 0.174 11.460 ( 0.000 0.929 0.000) 0.929 11.610 ( 0.000 0.495 0.000) 0.495 11.674 ( 0.000 -0.516 0.000) 0.516 11.760 ( 0.000 0.612 0.000) 0.612 11.848 ( 0.000 1.177 0.000) 1.177 11.912 ( 0.000 -0.389 0.000) 0.389 11.966 ( 0.000 -0.987 0.000) 0.987 12.055 ( 0.000 -0.240 0.000) 0.240 12.206 ( 0.000 2.494 0.000) 2.494 12.284 ( 0.000 1.656 0.000) 1.656 13.173 ( 0.000 -1.140 0.000) 1.140 13.176 ( 0.000 -1.025 0.000) 1.025 13.369 ( 0.000 0.245 0.000) 0.245 13.395 ( 0.000 -0.802 0.000) 0.802 13.519 ( 0.000 -1.503 0.000) 1.503 13.538 ( 0.000 -1.232 0.000) 1.232 13.569 ( 0.000 -1.306 0.000) 1.306 13.584 ( 0.000 -2.245 0.000) 2.245 18.262 ( 0.000 -5.518 0.000) 5.518 18.341 ( 0.000 7.708 0.000) 7.708 18.421 ( 0.000 -9.976 0.000) 9.976 18.432 ( 0.000 3.466 0.000) 3.466 18.628 ( 0.000 5.574 0.000) 5.574 18.668 ( 0.000 -0.679 0.000) 0.679 18.874 ( 0.000 1.355 0.000) 1.355 18.891 ( 0.000 5.212 0.000) 5.212 18.949 ( 0.000 -3.102 0.000) 3.102 19.008 ( 0.000 3.156 0.000) 3.156 19.243 ( 0.000 -5.488 0.000) 5.488 19.406 ( 0.000 -8.620 0.000) 8.620 19.425 ( 0.000 4.243 0.000) 4.243 19.608 ( 0.000 -3.730 0.000) 3.730 19.637 ( 0.000 -10.355 0.000) 10.355 19.742 ( 0.000 3.726 0.000) 3.726 19.837 ( 0.000 -3.169 0.000) 3.169 19.853 ( 0.000 -5.081 0.000) 5.081 20.153 ( 0.000 -10.744 0.000) 10.744 20.171 ( 0.000 -6.002 0.000) 6.002 20.383 ( 0.000 -0.774 0.000) 0.774 20.517 ( 0.000 1.129 0.000) 1.129 20.562 ( 0.000 -0.424 0.000) 0.424 20.567 ( 0.000 -2.370 0.000) 2.370 20.645 ( 0.000 7.369 0.000) 7.369 20.713 ( 0.000 -2.640 0.000) 2.640 20.839 ( 0.000 -4.498 0.000) 4.498 20.935 ( 0.000 3.672 0.000) 3.672 21.000 ( 0.000 -0.858 0.000) 0.858 21.026 ( 0.000 5.493 0.000) 5.493 21.174 ( 0.000 -1.869 0.000) 1.869 21.267 ( 0.000 -0.646 0.000) 0.646 21.411 ( 0.000 -1.829 0.000) 1.829 21.580 ( 0.000 -3.747 0.000) 3.747 21.643 ( 0.000 5.915 0.000) 5.915 21.724 ( 0.000 4.855 0.000) 4.855 22.002 ( 0.000 -0.935 0.000) 0.935 22.136 ( 0.000 -4.304 0.000) 4.304 22.182 ( 0.000 -1.826 0.000) 1.826 22.221 ( 0.000 -2.381 0.000) 2.381 22.319 ( 0.000 -4.469 0.000) 4.469 22.369 ( 0.000 1.128 0.000) 1.128 22.488 ( 0.000 -5.203 0.000) 5.203 22.508 ( 0.000 2.152 0.000) 2.152 22.574 ( 0.000 -1.790 0.000) 1.790 22.755 ( 0.000 -3.235 0.000) 3.235 22.812 ( 0.000 -0.820 0.000) 0.820 22.985 ( 0.000 -3.682 0.000) 3.682 ======================= Grid point 10 (8/30) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -1.001 19.634 0.000) 19.660 1.297 ( -3.535 16.717 0.000) 17.086 1.351 ( 1.521 16.310 0.000) 16.381 1.404 ( -3.725 14.526 0.000) 14.996 1.574 ( 7.104 4.726 0.000) 8.532 1.630 ( 3.183 7.731 0.000) 8.360 1.687 ( 5.909 5.900 0.000) 8.350 1.774 ( -0.596 1.827 0.000) 1.921 1.799 ( -1.492 3.944 0.000) 4.217 1.829 ( -0.792 4.114 0.000) 4.189 1.851 ( 0.195 3.550 0.000) 3.556 1.912 ( -4.888 1.129 0.000) 5.017 1.961 ( 1.808 1.260 0.000) 2.203 2.003 ( -4.177 -0.423 0.000) 4.199 2.047 ( 5.930 2.508 0.000) 6.439 2.117 ( 0.224 1.879 0.000) 1.892 2.120 ( -1.328 2.680 0.000) 2.991 2.204 ( -5.365 1.525 0.000) 5.578 2.236 ( 1.547 8.959 0.000) 9.091 2.261 ( 0.321 0.706 0.000) 0.776 2.308 ( 3.642 -1.636 0.000) 3.992 2.344 ( 3.828 3.409 0.000) 5.126 2.364 ( 0.576 -0.732 0.000) 0.931 2.409 ( -2.443 -1.972 0.000) 3.140 2.460 ( 3.178 -0.734 0.000) 3.262 2.493 ( 1.452 0.779 0.000) 1.648 2.519 ( 0.055 -3.805 0.000) 3.806 2.552 ( 0.040 -0.880 0.000) 0.881 2.562 ( -0.732 -1.134 0.000) 1.349 2.578 ( -1.984 -2.082 0.000) 2.876 2.648 ( -1.335 -1.033 0.000) 1.688 2.687 ( -4.186 -1.539 0.000) 4.460 2.725 ( 0.426 -2.071 0.000) 2.115 2.792 ( -6.212 3.612 0.000) 7.185 2.865 ( 0.494 1.310 0.000) 1.400 2.910 ( -3.066 -2.117 0.000) 3.726 2.965 ( 3.983 0.771 0.000) 4.057 3.041 ( -3.750 2.736 0.000) 4.642 3.095 ( 3.085 0.510 0.000) 3.127 3.126 ( -0.128 -1.379 0.000) 1.385 3.174 ( 4.404 1.128 0.000) 4.546 3.233 ( 0.872 1.893 0.000) 2.084 3.280 ( -2.110 1.144 0.000) 2.400 3.311 ( -2.855 3.485 0.000) 4.505 3.391 ( 0.612 4.930 0.000) 4.967 3.418 ( -1.365 3.983 0.000) 4.210 3.539 ( 3.980 2.033 0.000) 4.469 3.623 ( -2.427 1.408 0.000) 2.806 3.655 ( 4.056 1.074 0.000) 4.196 3.703 ( 0.256 -3.031 0.000) 3.042 3.761 ( 1.565 -3.689 0.000) 4.007 3.822 ( -3.010 -3.334 0.000) 4.492 3.841 ( 2.524 2.248 0.000) 3.380 3.949 ( -5.719 2.323 0.000) 6.173 3.982 ( 2.067 -0.254 0.000) 2.082 4.013 ( -0.295 2.729 0.000) 2.745 4.045 ( 4.683 0.893 0.000) 4.767 4.088 ( 0.254 1.443 0.000) 1.466 4.092 ( 1.240 1.444 0.000) 1.904 4.147 ( -1.635 -0.084 0.000) 1.637 4.174 ( -3.416 -1.809 0.000) 3.865 4.198 ( -3.851 6.041 0.000) 7.164 4.323 ( 3.384 3.409 0.000) 4.803 4.360 ( 0.221 3.449 0.000) 3.456 4.375 ( 0.656 -1.572 0.000) 1.703 4.429 ( 0.204 1.931 0.000) 1.941 4.451 ( -3.870 1.683 0.000) 4.220 4.471 ( -1.833 0.648 0.000) 1.944 4.540 ( 3.348 -1.274 0.000) 3.583 4.582 ( -0.840 0.542 0.000) 1.000 4.753 ( 2.127 0.448 0.000) 2.174 4.783 ( 2.851 -3.025 0.000) 4.157 4.816 ( -0.924 4.990 0.000) 5.075 4.863 ( -2.189 -1.520 0.000) 2.665 4.882 ( 2.971 2.902 0.000) 4.153 4.938 ( -1.356 -2.325 0.000) 2.691 5.105 ( 0.292 -1.245 0.000) 1.279 5.118 ( -1.301 -3.018 0.000) 3.286 5.190 ( 2.948 -3.963 0.000) 4.939 5.269 ( 1.539 -5.506 0.000) 5.717 5.272 ( -3.477 -2.094 0.000) 4.059 5.320 ( -0.221 -1.605 0.000) 1.621 5.339 ( -0.682 -2.504 0.000) 2.596 5.353 ( -2.314 -5.264 0.000) 5.751 5.462 ( 2.343 -0.462 0.000) 2.388 5.488 ( 0.407 -1.939 0.000) 1.982 5.547 ( 1.208 -1.112 0.000) 1.642 5.567 ( -1.090 3.804 0.000) 3.957 5.623 ( 1.846 -0.365 0.000) 1.882 5.677 ( -2.708 -1.204 0.000) 2.964 5.749 ( 4.139 -0.154 0.000) 4.142 5.818 ( -2.942 -2.102 0.000) 3.616 6.053 ( 0.305 -0.959 0.000) 1.006 6.079 ( -2.352 -1.984 0.000) 3.077 6.098 ( 2.331 -0.454 0.000) 2.375 6.141 ( -1.549 -0.965 0.000) 1.825 6.570 ( 0.975 -2.315 0.000) 2.512 6.580 ( 0.298 -0.738 0.000) 0.796 6.796 ( 0.329 -1.261 0.000) 1.303 6.809 ( -1.350 0.620 0.000) 1.485 7.026 ( 4.520 1.877 0.000) 4.894 7.126 ( -3.976 1.092 0.000) 4.123 7.187 ( 1.177 -2.323 0.000) 2.604 7.229 ( -1.678 0.636 0.000) 1.794 7.359 ( -0.978 -0.585 0.000) 1.139 7.377 ( -2.270 -3.116 0.000) 3.855 7.550 ( 5.062 1.818 0.000) 5.379 7.602 ( -1.009 -1.227 0.000) 1.589 7.639 ( 1.385 -0.352 0.000) 1.429 7.685 ( -1.170 1.068 0.000) 1.584 7.725 ( 1.847 -3.101 0.000) 3.610 7.767 ( -0.364 -3.796 0.000) 3.814 7.898 ( 0.148 0.246 0.000) 0.287 7.939 ( -2.549 -1.916 0.000) 3.188 8.016 ( 2.024 -2.081 0.000) 2.903 8.037 ( 1.171 2.359 0.000) 2.633 8.054 ( -1.338 0.274 0.000) 1.366 8.097 ( -3.455 -0.771 0.000) 3.540 8.272 ( 4.031 0.450 0.000) 4.056 8.332 ( -1.819 0.659 0.000) 1.935 8.776 ( 1.386 0.052 0.000) 1.387 8.809 ( -1.799 0.457 0.000) 1.856 8.983 ( 1.620 -1.432 0.000) 2.162 9.022 ( -1.653 -1.879 0.000) 2.503 9.081 ( 0.802 0.289 0.000) 0.852 9.104 ( -0.769 -1.264 0.000) 1.480 9.202 ( 1.276 -2.526 0.000) 2.830 9.220 ( 2.289 -2.122 0.000) 3.121 9.231 ( 0.275 -2.366 0.000) 2.382 9.318 ( -4.799 -1.403 0.000) 4.999 9.338 ( 1.084 -0.862 0.000) 1.385 9.375 ( -2.297 -0.537 0.000) 2.359 9.475 ( 1.528 -2.691 0.000) 3.094 9.511 ( -1.700 -3.298 0.000) 3.710 9.639 ( 3.360 0.213 0.000) 3.367 9.680 ( -1.045 1.564 0.000) 1.881 9.877 ( 2.124 -0.905 0.000) 2.308 9.919 ( -1.220 1.145 0.000) 1.673 10.168 ( 0.772 0.665 0.000) 1.019 10.195 ( -1.251 0.500 0.000) 1.347 10.673 ( 3.027 1.426 0.000) 3.346 10.745 ( -4.030 0.231 0.000) 4.037 10.827 ( 1.074 1.879 0.000) 2.164 10.833 ( 0.102 0.533 0.000) 0.543 10.915 ( 1.788 -0.281 0.000) 1.810 10.938 ( 1.280 -0.223 0.000) 1.300 10.990 ( -0.517 -1.321 0.000) 1.419 11.031 ( -5.025 -0.193 0.000) 5.029 11.344 ( 3.529 0.569 0.000) 3.575 11.420 ( -3.670 1.068 0.000) 3.822 11.482 ( 4.438 -0.825 0.000) 4.515 11.563 ( -3.781 -1.002 0.000) 3.912 11.708 ( 2.497 1.022 0.000) 2.699 11.748 ( -1.351 1.077 0.000) 1.727 11.861 ( 1.199 0.437 0.000) 1.276 11.890 ( -1.713 -0.159 0.000) 1.720 11.988 ( 1.907 -0.728 0.000) 2.041 12.029 ( -2.146 -0.255 0.000) 2.161 12.233 ( 2.176 2.100 0.000) 3.024 12.270 ( -1.426 1.751 0.000) 2.258 13.174 ( 0.084 -1.053 0.000) 1.057 13.176 ( -0.048 -1.049 0.000) 1.050 13.380 ( 0.861 -0.017 0.000) 0.862 13.393 ( -0.353 -0.563 0.000) 0.665 13.516 ( -0.021 -1.123 0.000) 1.124 13.525 ( -0.850 -1.047 0.000) 1.348 13.580 ( 0.557 -1.978 0.000) 2.054 13.585 ( -0.032 -2.270 0.000) 2.270 18.280 ( 1.692 -3.851 0.000) 4.206 18.316 ( -1.879 1.287 0.000) 2.278 18.443 ( 1.455 -1.449 0.000) 2.053 18.451 ( 0.894 -0.277 0.000) 0.936 18.657 ( 2.312 2.267 0.000) 3.238 18.675 ( 0.374 -0.786 0.000) 0.871 18.843 ( -0.924 3.234 0.000) 3.363 18.874 ( -2.991 3.028 0.000) 4.256 18.952 ( 1.262 0.341 0.000) 1.307 18.985 ( -1.948 2.874 0.000) 3.473 19.269 ( 2.598 -5.436 0.000) 6.025 19.342 ( -4.734 -5.942 0.000) 7.597 19.503 ( 6.705 0.393 0.000) 6.717 19.592 ( -0.518 -7.970 0.000) 7.986 19.616 ( -1.209 -4.676 0.000) 4.830 19.666 ( -8.301 -0.439 0.000) 8.313 19.847 ( 5.568 -1.069 0.000) 5.669 19.915 ( -0.436 -1.865 0.000) 1.916 20.165 ( 1.032 -8.827 0.000) 8.887 20.177 ( 0.099 -6.898 0.000) 6.899 20.417 ( 3.605 -2.968 0.000) 4.670 20.501 ( -4.429 -3.440 0.000) 5.608 20.545 ( 2.153 0.541 0.000) 2.220 20.571 ( -0.316 -0.640 0.000) 0.714 20.676 ( 2.426 3.835 0.000) 4.538 20.730 ( -0.779 -0.146 0.000) 0.792 20.808 ( 0.160 1.589 0.000) 1.597 20.883 ( -5.288 4.271 0.000) 6.798 20.991 ( 2.692 -1.370 0.000) 3.021 21.050 ( -1.500 -1.509 0.000) 2.127 21.180 ( 1.416 0.007 0.000) 1.416 21.228 ( -3.118 -0.426 0.000) 3.147 21.451 ( 3.954 -0.474 0.000) 3.983 21.534 ( -4.071 -2.367 0.000) 4.709 21.675 ( 2.201 4.977 0.000) 5.442 21.709 ( -1.399 4.962 0.000) 5.155 22.043 ( 3.542 -1.727 0.000) 3.941 22.106 ( -2.503 -3.264 0.000) 4.113 22.205 ( 1.006 -2.027 0.000) 2.263 22.213 ( -0.244 -2.076 0.000) 2.091 22.329 ( 0.886 -3.020 0.000) 3.147 22.354 ( -1.528 0.067 0.000) 1.529 22.472 ( 0.176 -3.926 0.000) 3.930 22.495 ( -1.379 -0.375 0.000) 1.429 22.626 ( 3.802 -2.025 0.000) 4.308 22.698 ( -3.681 -2.239 0.000) 4.309 22.880 ( 4.556 -2.227 0.000) 5.071 22.956 ( -2.953 -3.277 0.000) 4.411 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 4.640 0.000) 4.640 1.587 ( 0.000 5.493 0.000) 5.493 1.635 ( 0.000 5.807 0.000) 5.807 1.642 ( 0.000 10.986 0.000) 10.986 1.655 ( 0.000 10.279 0.000) 10.279 1.730 ( 0.000 2.782 0.000) 2.782 1.778 ( 0.000 6.354 0.000) 6.354 1.802 ( 0.000 -0.338 0.000) 0.338 1.828 ( 0.000 0.758 0.000) 0.758 1.884 ( 0.000 2.203 0.000) 2.203 1.893 ( 0.000 -1.309 0.000) 1.309 1.964 ( 0.000 3.386 0.000) 3.386 2.016 ( 0.000 4.869 0.000) 4.869 2.034 ( 0.000 2.079 0.000) 2.079 2.080 ( 0.000 -1.217 0.000) 1.217 2.109 ( 0.000 -3.822 0.000) 3.822 2.173 ( 0.000 -1.655 0.000) 1.655 2.191 ( 0.000 -6.834 0.000) 6.834 2.212 ( 0.000 -0.641 0.000) 0.641 2.218 ( 0.000 4.357 0.000) 4.357 2.231 ( 0.000 -4.502 0.000) 4.502 2.297 ( 0.000 -3.210 0.000) 3.210 2.341 ( 0.000 -4.072 0.000) 4.072 2.418 ( 0.000 0.179 0.000) 0.179 2.449 ( 0.000 4.886 0.000) 4.886 2.454 ( 0.000 -2.857 0.000) 2.857 2.496 ( 0.000 1.382 0.000) 1.382 2.530 ( 0.000 0.347 0.000) 0.347 2.573 ( 0.000 0.542 0.000) 0.542 2.594 ( 0.000 -3.153 0.000) 3.153 2.616 ( 0.000 -1.203 0.000) 1.203 2.682 ( 0.000 -0.024 0.000) 0.024 2.794 ( 0.000 1.728 0.000) 1.728 2.850 ( 0.000 -0.139 0.000) 0.139 2.874 ( 0.000 -1.151 0.000) 1.151 2.931 ( 0.000 0.143 0.000) 0.143 2.977 ( 0.000 -0.330 0.000) 0.330 3.030 ( 0.000 4.737 0.000) 4.737 3.099 ( 0.000 -1.627 0.000) 1.627 3.135 ( 0.000 -2.707 0.000) 2.707 3.192 ( 0.000 5.888 0.000) 5.888 3.270 ( 0.000 2.181 0.000) 2.181 3.348 ( 0.000 0.733 0.000) 0.733 3.401 ( 0.000 -2.565 0.000) 2.565 3.462 ( 0.000 2.598 0.000) 2.598 3.511 ( 0.000 4.308 0.000) 4.308 3.547 ( 0.000 2.367 0.000) 2.367 3.588 ( 0.000 -1.036 0.000) 1.036 3.632 ( 0.000 1.455 0.000) 1.455 3.662 ( 0.000 3.460 0.000) 3.460 3.760 ( 0.000 -0.312 0.000) 0.312 3.825 ( 0.000 -1.111 0.000) 1.111 3.883 ( 0.000 1.556 0.000) 1.556 3.911 ( 0.000 -2.457 0.000) 2.457 3.942 ( 0.000 -0.015 0.000) 0.015 3.974 ( 0.000 -3.772 0.000) 3.772 4.046 ( 0.000 -6.995 0.000) 6.995 4.117 ( 0.000 2.410 0.000) 2.410 4.119 ( 0.000 1.610 0.000) 1.610 4.170 ( 0.000 -1.030 0.000) 1.030 4.261 ( 0.000 7.817 0.000) 7.817 4.324 ( 0.000 2.499 0.000) 2.499 4.339 ( 0.000 -0.786 0.000) 0.786 4.383 ( 0.000 -3.606 0.000) 3.606 4.383 ( 0.000 2.738 0.000) 2.738 4.419 ( 0.000 -0.812 0.000) 0.812 4.472 ( 0.000 4.598 0.000) 4.598 4.528 ( 0.000 2.604 0.000) 2.604 4.582 ( 0.000 -1.225 0.000) 1.225 4.605 ( 0.000 2.313 0.000) 2.313 4.642 ( 0.000 -3.684 0.000) 3.684 4.671 ( 0.000 -3.205 0.000) 3.205 4.867 ( 0.000 -0.428 0.000) 0.428 4.911 ( 0.000 2.245 0.000) 2.245 4.937 ( 0.000 2.399 0.000) 2.399 4.948 ( 0.000 0.881 0.000) 0.881 5.040 ( 0.000 -4.132 0.000) 4.132 5.097 ( 0.000 0.841 0.000) 0.841 5.103 ( 0.000 2.501 0.000) 2.501 5.170 ( 0.000 -4.530 0.000) 4.530 5.245 ( 0.000 -5.607 0.000) 5.607 5.292 ( 0.000 -2.122 0.000) 2.122 5.315 ( 0.000 0.252 0.000) 0.252 5.328 ( 0.000 -0.213 0.000) 0.213 5.422 ( 0.000 -1.529 0.000) 1.529 5.459 ( 0.000 1.216 0.000) 1.216 5.496 ( 0.000 -0.103 0.000) 0.103 5.619 ( 0.000 0.385 0.000) 0.385 5.636 ( 0.000 1.386 0.000) 1.386 5.693 ( 0.000 -0.526 0.000) 0.526 5.731 ( 0.000 2.402 0.000) 2.402 5.791 ( 0.000 -2.658 0.000) 2.658 6.049 ( 0.000 0.190 0.000) 0.190 6.062 ( 0.000 -0.506 0.000) 0.506 6.087 ( 0.000 -2.980 0.000) 2.980 6.095 ( 0.000 -0.605 0.000) 0.605 6.508 ( 0.000 -1.104 0.000) 1.104 6.594 ( 0.000 0.892 0.000) 0.892 6.738 ( 0.000 -1.842 0.000) 1.842 6.843 ( 0.000 0.362 0.000) 0.362 7.087 ( 0.000 5.896 0.000) 5.896 7.095 ( 0.000 -0.374 0.000) 0.374 7.192 ( 0.000 -1.372 0.000) 1.372 7.255 ( 0.000 -4.465 0.000) 4.465 7.349 ( 0.000 0.749 0.000) 0.749 7.392 ( 0.000 -0.671 0.000) 0.671 7.493 ( 0.000 0.891 0.000) 0.891 7.605 ( 0.000 0.043 0.000) 0.043 7.608 ( 0.000 -0.115 0.000) 0.115 7.617 ( 0.000 -1.292 0.000) 1.292 7.698 ( 0.000 -1.715 0.000) 1.715 7.755 ( 0.000 0.518 0.000) 0.518 7.846 ( 0.000 -2.525 0.000) 2.525 7.900 ( 0.000 -1.561 0.000) 1.561 7.966 ( 0.000 -1.182 0.000) 1.182 8.067 ( 0.000 0.114 0.000) 0.114 8.130 ( 0.000 3.025 0.000) 3.025 8.182 ( 0.000 -2.039 0.000) 2.039 8.213 ( 0.000 3.684 0.000) 3.684 8.340 ( 0.000 -0.764 0.000) 0.764 8.770 ( 0.000 0.319 0.000) 0.319 8.848 ( 0.000 0.406 0.000) 0.406 8.979 ( 0.000 -1.492 0.000) 1.492 8.983 ( 0.000 2.428 0.000) 2.428 9.053 ( 0.000 -3.387 0.000) 3.387 9.110 ( 0.000 -0.471 0.000) 0.471 9.121 ( 0.000 0.245 0.000) 0.245 9.152 ( 0.000 -1.653 0.000) 1.653 9.205 ( 0.000 -1.453 0.000) 1.453 9.293 ( 0.000 -0.551 0.000) 0.551 9.382 ( 0.000 0.307 0.000) 0.307 9.401 ( 0.000 0.090 0.000) 0.090 9.442 ( 0.000 -0.307 0.000) 0.307 9.465 ( 0.000 -2.481 0.000) 2.481 9.578 ( 0.000 -0.201 0.000) 0.201 9.721 ( 0.000 0.944 0.000) 0.944 9.828 ( 0.000 -0.920 0.000) 0.920 9.977 ( 0.000 1.474 0.000) 1.474 10.153 ( 0.000 -0.788 0.000) 0.788 10.201 ( 0.000 -0.079 0.000) 0.079 10.673 ( 0.000 0.953 0.000) 0.953 10.764 ( 0.000 -1.425 0.000) 1.425 10.810 ( 0.000 0.454 0.000) 0.454 10.842 ( 0.000 0.239 0.000) 0.239 10.927 ( 0.000 1.451 0.000) 1.451 10.939 ( 0.000 0.892 0.000) 0.892 10.968 ( 0.000 -1.741 0.000) 1.741 11.084 ( 0.000 -0.535 0.000) 0.535 11.304 ( 0.000 -0.052 0.000) 0.052 11.431 ( 0.000 0.233 0.000) 0.233 11.460 ( 0.000 -0.369 0.000) 0.369 11.618 ( 0.000 0.262 0.000) 0.262 11.673 ( 0.000 0.175 0.000) 0.175 11.780 ( 0.000 0.894 0.000) 0.894 11.860 ( 0.000 0.275 0.000) 0.275 11.903 ( 0.000 -0.421 0.000) 0.421 11.952 ( 0.000 -0.423 0.000) 0.423 12.057 ( 0.000 0.249 0.000) 0.249 12.240 ( 0.000 0.839 0.000) 0.839 12.305 ( 0.000 0.491 0.000) 0.491 13.154 ( 0.000 -0.554 0.000) 0.554 13.165 ( 0.000 -0.176 0.000) 0.176 13.374 ( 0.000 0.142 0.000) 0.142 13.380 ( 0.000 -0.454 0.000) 0.454 13.500 ( 0.000 -0.384 0.000) 0.384 13.518 ( 0.000 -0.600 0.000) 0.600 13.550 ( 0.000 -0.619 0.000) 0.619 13.552 ( 0.000 -0.735 0.000) 0.735 18.183 ( 0.000 -1.871 0.000) 1.871 18.266 ( 0.000 -4.372 0.000) 4.372 18.480 ( 0.000 5.599 0.000) 5.599 18.494 ( 0.000 2.282 0.000) 2.282 18.605 ( 0.000 -4.610 0.000) 4.610 18.723 ( 0.000 2.851 0.000) 2.851 18.891 ( 0.000 0.382 0.000) 0.382 18.912 ( 0.000 -0.632 0.000) 0.632 18.980 ( 0.000 2.563 0.000) 2.563 19.131 ( 0.000 7.146 0.000) 7.146 19.185 ( 0.000 -0.418 0.000) 0.418 19.279 ( 0.000 -3.417 0.000) 3.417 19.426 ( 0.000 -8.477 0.000) 8.477 19.449 ( 0.000 -6.472 0.000) 6.472 19.534 ( 0.000 3.551 0.000) 3.551 19.765 ( 0.000 -2.966 0.000) 2.966 19.796 ( 0.000 0.849 0.000) 0.849 19.839 ( 0.000 0.896 0.000) 0.896 20.003 ( 0.000 -3.362 0.000) 3.362 20.071 ( 0.000 -2.914 0.000) 2.914 20.362 ( 0.000 -0.691 0.000) 0.691 20.488 ( 0.000 -3.204 0.000) 3.204 20.516 ( 0.000 -0.488 0.000) 0.488 20.579 ( 0.000 0.933 0.000) 0.933 20.752 ( 0.000 4.050 0.000) 4.050 20.753 ( 0.000 0.861 0.000) 0.861 20.784 ( 0.000 0.891 0.000) 0.891 20.909 ( 0.000 -4.537 0.000) 4.537 21.011 ( 0.000 1.483 0.000) 1.483 21.120 ( 0.000 3.857 0.000) 3.857 21.188 ( 0.000 1.530 0.000) 1.530 21.218 ( 0.000 -3.365 0.000) 3.365 21.394 ( 0.000 -0.071 0.000) 0.071 21.508 ( 0.000 -2.612 0.000) 2.612 21.746 ( 0.000 3.776 0.000) 3.776 21.792 ( 0.000 0.997 0.000) 0.997 22.009 ( 0.000 1.765 0.000) 1.765 22.062 ( 0.000 -3.057 0.000) 3.057 22.151 ( 0.000 -0.884 0.000) 0.884 22.178 ( 0.000 -1.379 0.000) 1.379 22.245 ( 0.000 -2.218 0.000) 2.218 22.394 ( 0.000 0.974 0.000) 0.974 22.407 ( 0.000 -2.356 0.000) 2.356 22.540 ( 0.000 -1.198 0.000) 1.198 22.568 ( 0.000 3.153 0.000) 3.153 22.683 ( 0.000 -3.365 0.000) 3.365 22.806 ( 0.000 0.137 0.000) 0.137 22.918 ( 0.000 -2.249 0.000) 2.249 ======================= Grid point 13 (10/30) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 2.021 7.796 0.000) 8.054 1.589 ( 1.422 7.784 0.000) 7.913 1.612 ( -1.578 11.406 0.000) 11.515 1.644 ( -1.877 8.089 0.000) 8.304 1.671 ( 2.445 2.798 0.000) 3.716 1.728 ( -2.390 0.445 0.000) 2.431 1.769 ( 2.964 3.829 0.000) 4.842 1.808 ( 0.063 1.979 0.000) 1.980 1.862 ( 0.476 -2.502 0.000) 2.547 1.881 ( -0.374 1.901 0.000) 1.937 1.915 ( 1.245 2.876 0.000) 3.134 1.938 ( -1.394 1.513 0.000) 2.057 2.000 ( -1.101 2.648 0.000) 2.868 2.005 ( -1.414 3.124 0.000) 3.429 2.096 ( 2.558 1.562 0.000) 2.997 2.145 ( -2.156 -0.657 0.000) 2.254 2.166 ( 2.487 -1.801 0.000) 3.071 2.188 ( 4.027 -3.653 0.000) 5.437 2.206 ( -1.665 -1.254 0.000) 2.084 2.252 ( 2.599 -1.751 0.000) 3.133 2.260 ( -1.921 -1.009 0.000) 2.170 2.305 ( -0.105 0.756 0.000) 0.764 2.357 ( 1.307 -5.890 0.000) 6.033 2.388 ( -0.391 -1.402 0.000) 1.455 2.393 ( -1.383 -2.990 0.000) 3.294 2.475 ( -3.349 0.695 0.000) 3.420 2.515 ( 1.934 0.341 0.000) 1.964 2.528 ( -0.385 -0.822 0.000) 0.907 2.556 ( 1.487 -1.443 0.000) 2.072 2.588 ( -1.604 2.661 0.000) 3.107 2.617 ( 0.224 -0.739 0.000) 0.772 2.657 ( -2.935 -2.784 0.000) 4.045 2.755 ( 0.666 3.213 0.000) 3.282 2.819 ( -3.778 -0.111 0.000) 3.780 2.885 ( 0.726 0.138 0.000) 0.739 2.906 ( -1.329 -0.145 0.000) 1.337 3.026 ( 3.550 2.062 0.000) 4.105 3.064 ( 1.923 -1.067 0.000) 2.200 3.091 ( -0.388 1.297 0.000) 1.354 3.123 ( -1.672 -0.093 0.000) 1.675 3.254 ( 4.951 7.733 0.000) 9.183 3.293 ( 2.297 2.380 0.000) 3.307 3.330 ( -2.019 3.037 0.000) 3.646 3.372 ( -5.100 4.382 0.000) 6.724 3.468 ( 1.858 -3.054 0.000) 3.575 3.474 ( 0.554 0.886 0.000) 1.046 3.555 ( 0.973 1.826 0.000) 2.069 3.604 ( -3.374 -1.074 0.000) 3.541 3.655 ( 2.348 -1.078 0.000) 2.584 3.679 ( 4.659 0.938 0.000) 4.752 3.721 ( -4.493 -0.497 0.000) 4.521 3.781 ( -4.456 -0.213 0.000) 4.461 3.840 ( 0.760 -5.483 0.000) 5.535 3.885 ( -2.795 -4.092 0.000) 4.955 3.967 ( 1.305 -0.224 0.000) 1.325 4.010 ( -2.556 -0.982 0.000) 2.738 4.064 ( 5.924 1.845 0.000) 6.204 4.102 ( -0.394 1.013 0.000) 1.087 4.110 ( -1.373 0.964 0.000) 1.678 4.146 ( -1.817 -0.097 0.000) 1.820 4.283 ( 2.196 6.419 0.000) 6.784 4.325 ( -1.178 3.944 0.000) 4.117 4.359 ( 1.712 0.961 0.000) 1.963 4.389 ( -0.426 -0.341 0.000) 0.545 4.415 ( 1.150 -0.947 0.000) 1.490 4.436 ( 4.334 3.372 0.000) 5.491 4.468 ( -3.977 -1.024 0.000) 4.107 4.523 ( 2.213 1.377 0.000) 2.606 4.530 ( -2.083 2.995 0.000) 3.648 4.592 ( -2.116 0.254 0.000) 2.131 4.680 ( 1.441 -4.373 0.000) 4.604 4.683 ( 0.976 -4.309 0.000) 4.419 4.847 ( -0.683 -0.525 0.000) 0.862 4.871 ( -3.297 -0.212 0.000) 3.304 4.955 ( 1.791 2.082 0.000) 2.747 4.960 ( 0.830 2.480 0.000) 2.615 5.069 ( 2.953 -2.029 0.000) 3.583 5.097 ( -0.286 1.029 0.000) 1.068 5.128 ( 0.715 -0.038 0.000) 0.716 5.165 ( -1.553 -2.846 0.000) 3.243 5.242 ( 0.073 -2.876 0.000) 2.877 5.267 ( -1.390 -1.866 0.000) 2.327 5.297 ( -0.454 -0.135 0.000) 0.473 5.316 ( -1.251 -1.150 0.000) 1.699 5.425 ( 0.438 -1.952 0.000) 2.001 5.438 ( -0.865 -1.661 0.000) 1.873 5.564 ( 4.773 1.127 0.000) 4.904 5.629 ( -0.012 1.104 0.000) 1.104 5.631 ( -0.212 1.045 0.000) 1.066 5.666 ( -2.103 -0.053 0.000) 2.104 5.758 ( 1.708 1.089 0.000) 2.025 5.783 ( -0.905 -1.218 0.000) 1.517 6.025 ( -0.987 -1.368 0.000) 1.687 6.041 ( -2.286 -1.097 0.000) 2.535 6.082 ( 1.771 -0.795 0.000) 1.941 6.111 ( -0.630 -1.318 0.000) 1.461 6.537 ( 2.416 -0.755 0.000) 2.531 6.577 ( -1.534 -0.054 0.000) 1.535 6.777 ( 2.994 -0.359 0.000) 3.016 6.825 ( -1.804 0.581 0.000) 1.895 7.057 ( 0.955 0.694 0.000) 1.180 7.124 ( -5.099 -1.568 0.000) 5.335 7.182 ( 5.098 2.900 0.000) 5.865 7.262 ( -1.530 0.925 0.000) 1.788 7.309 ( -1.422 -2.018 0.000) 2.469 7.338 ( -2.907 -1.744 0.000) 3.390 7.578 ( 3.672 1.419 0.000) 3.937 7.595 ( 0.215 0.474 0.000) 0.520 7.627 ( 2.688 -1.544 0.000) 3.101 7.660 ( 2.504 -1.685 0.000) 3.018 7.694 ( -0.768 -0.993 0.000) 1.255 7.717 ( -3.574 -0.617 0.000) 3.627 7.868 ( 1.639 -1.415 0.000) 2.165 7.890 ( -0.786 -1.628 0.000) 1.808 7.983 ( 1.840 -1.019 0.000) 2.103 8.037 ( -3.182 -0.652 0.000) 3.248 8.102 ( -0.688 2.076 0.000) 2.187 8.125 ( -2.648 1.276 0.000) 2.939 8.290 ( 4.048 1.018 0.000) 4.175 8.339 ( -0.879 -0.033 0.000) 0.880 8.782 ( 1.358 0.313 0.000) 1.393 8.821 ( -2.323 0.349 0.000) 2.349 8.960 ( 0.545 -0.705 0.000) 0.892 8.994 ( -2.068 -0.500 0.000) 2.128 9.072 ( 2.203 -1.345 0.000) 2.581 9.090 ( 0.073 0.290 0.000) 0.299 9.163 ( 1.550 -1.005 0.000) 1.847 9.190 ( -1.108 -1.084 0.000) 1.550 9.199 ( 4.572 -0.444 0.000) 4.593 9.304 ( -2.903 0.121 0.000) 2.905 9.318 ( -1.004 -1.014 0.000) 1.427 9.365 ( -3.150 -0.375 0.000) 3.173 9.441 ( 0.348 -0.554 0.000) 0.654 9.455 ( -0.905 -1.896 0.000) 2.101 9.638 ( 4.354 -0.124 0.000) 4.356 9.703 ( -2.078 0.581 0.000) 2.158 9.861 ( 3.203 -0.509 0.000) 3.243 9.935 ( -3.833 0.367 0.000) 3.851 10.170 ( 1.594 -0.148 0.000) 1.601 10.197 ( -0.811 -0.046 0.000) 0.812 10.692 ( 1.864 0.455 0.000) 1.918 10.735 ( -2.335 -0.558 0.000) 2.401 10.838 ( 2.207 0.259 0.000) 2.222 10.863 ( 0.875 0.983 0.000) 1.316 10.922 ( -0.015 0.584 0.000) 0.584 10.936 ( -0.208 -0.168 0.000) 0.267 10.968 ( 0.841 -0.580 0.000) 1.022 11.030 ( -4.525 -0.001 0.000) 4.525 11.346 ( 3.825 -0.129 0.000) 3.828 11.423 ( -3.488 -0.286 0.000) 3.500 11.472 ( 3.619 -0.199 0.000) 3.625 11.553 ( -4.506 -0.140 0.000) 4.508 11.728 ( 3.405 0.646 0.000) 3.466 11.773 ( -1.077 0.969 0.000) 1.449 11.862 ( 0.424 -0.105 0.000) 0.436 11.883 ( -1.636 -0.412 0.000) 1.687 11.981 ( 2.514 -0.068 0.000) 2.515 12.031 ( -2.358 0.197 0.000) 2.366 12.262 ( 1.777 0.692 0.000) 1.907 12.293 ( -1.250 0.530 0.000) 1.358 13.157 ( 0.254 -0.479 0.000) 0.542 13.162 ( -0.240 -0.291 0.000) 0.377 13.379 ( 0.347 -0.048 0.000) 0.351 13.382 ( 0.038 -0.355 0.000) 0.357 13.501 ( 0.216 -0.316 0.000) 0.383 13.510 ( -0.625 -0.385 0.000) 0.734 13.552 ( 0.110 -0.776 0.000) 0.783 13.553 ( 0.022 -0.756 0.000) 0.756 18.201 ( 1.761 -2.350 0.000) 2.936 18.241 ( -2.146 -3.465 0.000) 4.076 18.503 ( 1.467 4.189 0.000) 4.439 18.508 ( 0.849 2.379 0.000) 2.526 18.633 ( 2.832 -2.782 0.000) 3.970 18.697 ( -2.880 1.164 0.000) 3.106 18.880 ( -0.366 0.604 0.000) 0.706 18.895 ( -1.406 0.089 0.000) 1.409 19.007 ( 3.151 2.788 0.000) 4.207 19.085 ( -4.147 4.893 0.000) 6.414 19.201 ( 1.711 -1.126 0.000) 2.048 19.249 ( -2.763 -2.489 0.000) 3.718 19.417 ( -0.255 -6.589 0.000) 6.594 19.427 ( -1.213 -5.759 0.000) 5.885 19.589 ( 4.807 2.523 0.000) 5.429 19.687 ( -5.059 0.696 0.000) 5.106 19.859 ( 4.881 0.786 0.000) 4.944 19.919 ( 1.589 1.436 0.000) 2.142 19.993 ( 1.837 -6.338 0.000) 6.599 20.060 ( -2.057 -3.818 0.000) 4.337 20.363 ( 0.741 -1.522 0.000) 1.693 20.415 ( -4.691 -2.935 0.000) 5.533 20.543 ( 2.243 -0.348 0.000) 2.270 20.579 ( -1.039 0.417 0.000) 1.120 20.750 ( 0.167 2.683 0.000) 2.688 20.756 ( -0.150 1.687 0.000) 1.693 20.852 ( 5.801 1.736 0.000) 6.055 20.932 ( 2.211 -3.422 0.000) 4.074 20.964 ( -3.787 2.643 0.000) 4.618 21.040 ( -6.949 0.688 0.000) 6.983 21.178 ( 1.580 -1.136 0.000) 1.946 21.216 ( -1.681 0.006 0.000) 1.681 21.439 ( 3.128 -0.359 0.000) 3.149 21.487 ( -1.919 -1.536 0.000) 2.458 21.769 ( 1.751 3.448 0.000) 3.868 21.791 ( -0.389 2.087 0.000) 2.123 22.023 ( 1.277 -0.029 0.000) 1.278 22.048 ( -1.218 -2.243 0.000) 2.553 22.164 ( 1.019 -1.362 0.000) 1.701 22.176 ( -0.200 -1.128 0.000) 1.145 22.274 ( 2.617 -1.729 0.000) 3.136 22.341 ( -4.218 -1.065 0.000) 4.350 22.434 ( 3.472 -0.061 0.000) 3.472 22.519 ( -4.450 1.668 0.000) 4.752 22.590 ( 3.652 -1.191 0.000) 3.842 22.652 ( -2.635 -1.875 0.000) 3.234 22.847 ( 3.124 -0.853 0.000) 3.238 22.898 ( -1.999 -1.837 0.000) 2.715 ======================= Grid point 27 (11/30) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( 0.000 0.000 14.392) 14.392 0.393 ( 0.000 0.000 22.470) 22.470 0.664 ( 0.000 0.000 34.640) 34.640 1.099 ( 0.000 0.000 -10.026) 10.026 1.129 ( 0.000 0.000 14.162) 14.162 1.145 ( 0.000 0.000 9.904) 9.904 1.368 ( 0.000 0.000 4.113) 4.113 1.435 ( 0.000 0.000 2.095) 2.095 1.616 ( 0.000 0.000 10.462) 10.462 1.628 ( 0.000 0.000 -11.841) 11.841 1.736 ( 0.000 0.000 -3.828) 3.828 1.747 ( 0.000 0.000 0.935) 0.935 1.799 ( 0.000 0.000 -2.674) 2.674 1.896 ( 0.000 0.000 -2.085) 2.085 1.963 ( 0.000 0.000 2.865) 2.865 2.010 ( 0.000 0.000 -1.833) 1.833 2.050 ( 0.000 0.000 -0.354) 0.354 2.106 ( 0.000 0.000 -0.162) 0.162 2.130 ( 0.000 0.000 5.328) 5.328 2.133 ( 0.000 0.000 -1.876) 1.876 2.185 ( 0.000 0.000 -6.040) 6.040 2.198 ( 0.000 0.000 1.006) 1.006 2.361 ( 0.000 0.000 5.368) 5.368 2.362 ( 0.000 0.000 3.390) 3.390 2.399 ( 0.000 0.000 2.435) 2.435 2.446 ( 0.000 0.000 -10.304) 10.304 2.466 ( 0.000 0.000 3.784) 3.784 2.592 ( 0.000 0.000 -3.161) 3.161 2.607 ( 0.000 0.000 -9.063) 9.063 2.635 ( 0.000 0.000 4.976) 4.976 2.706 ( 0.000 0.000 0.885) 0.885 2.730 ( 0.000 0.000 -3.218) 3.218 2.742 ( 0.000 0.000 0.112) 0.112 2.845 ( 0.000 0.000 -5.073) 5.073 2.884 ( 0.000 0.000 1.144) 1.144 2.886 ( 0.000 0.000 3.992) 3.992 2.923 ( 0.000 0.000 -5.280) 5.280 2.941 ( 0.000 0.000 4.660) 4.660 2.979 ( 0.000 0.000 -0.890) 0.890 3.071 ( 0.000 0.000 -0.960) 0.960 3.168 ( 0.000 0.000 -4.293) 4.293 3.185 ( 0.000 0.000 -3.916) 3.916 3.338 ( 0.000 0.000 -5.637) 5.637 3.365 ( 0.000 0.000 1.377) 1.377 3.382 ( 0.000 0.000 -6.164) 6.164 3.397 ( 0.000 0.000 2.073) 2.073 3.439 ( 0.000 0.000 4.168) 4.168 3.442 ( 0.000 0.000 -4.117) 4.117 3.509 ( 0.000 0.000 2.204) 2.204 3.586 ( 0.000 0.000 2.471) 2.471 3.627 ( 0.000 0.000 -1.481) 1.481 3.751 ( 0.000 0.000 -8.073) 8.073 3.813 ( 0.000 0.000 -4.179) 4.179 3.866 ( 0.000 0.000 -5.775) 5.775 3.887 ( 0.000 0.000 -5.587) 5.587 3.928 ( 0.000 0.000 -4.682) 4.682 3.976 ( 0.000 0.000 -1.100) 1.100 4.045 ( 0.000 0.000 -3.192) 3.192 4.067 ( 0.000 0.000 6.626) 6.626 4.126 ( 0.000 0.000 -1.848) 1.848 4.190 ( 0.000 0.000 2.413) 2.413 4.210 ( 0.000 0.000 -1.230) 1.230 4.272 ( 0.000 0.000 3.524) 3.524 4.364 ( 0.000 0.000 0.570) 0.570 4.366 ( 0.000 0.000 3.119) 3.119 4.390 ( 0.000 0.000 2.027) 2.027 4.470 ( 0.000 0.000 -1.397) 1.397 4.488 ( 0.000 0.000 5.819) 5.819 4.554 ( 0.000 0.000 9.180) 9.180 4.575 ( 0.000 0.000 -1.514) 1.514 4.631 ( 0.000 0.000 1.717) 1.717 4.678 ( 0.000 0.000 1.047) 1.047 4.852 ( 0.000 0.000 0.246) 0.246 4.923 ( 0.000 0.000 2.516) 2.516 5.022 ( 0.000 0.000 -0.738) 0.738 5.024 ( 0.000 0.000 -1.274) 1.274 5.127 ( 0.000 0.000 2.049) 2.049 5.131 ( 0.000 0.000 4.583) 4.583 5.237 ( 0.000 0.000 2.539) 2.539 5.246 ( 0.000 0.000 5.732) 5.732 5.407 ( 0.000 0.000 -1.125) 1.125 5.431 ( 0.000 0.000 -4.131) 4.131 5.462 ( 0.000 0.000 -2.563) 2.563 5.538 ( 0.000 0.000 4.111) 4.111 5.553 ( 0.000 0.000 -5.597) 5.597 5.615 ( 0.000 0.000 2.734) 2.734 5.645 ( 0.000 0.000 1.243) 1.243 5.654 ( 0.000 0.000 -0.894) 0.894 5.767 ( 0.000 0.000 0.515) 0.515 5.768 ( 0.000 0.000 -1.731) 1.731 5.825 ( 0.000 0.000 -3.638) 3.638 5.837 ( 0.000 0.000 -4.533) 4.533 5.897 ( 0.000 0.000 1.943) 1.943 6.002 ( 0.000 0.000 -1.193) 1.193 6.046 ( 0.000 0.000 -0.536) 0.536 6.163 ( 0.000 0.000 -6.733) 6.733 6.543 ( 0.000 0.000 0.496) 0.496 6.852 ( 0.000 0.000 1.798) 1.798 6.866 ( 0.000 0.000 -9.744) 9.744 6.872 ( 0.000 0.000 0.774) 0.774 7.027 ( 0.000 0.000 -4.712) 4.712 7.120 ( 0.000 0.000 0.695) 0.695 7.240 ( 0.000 0.000 3.177) 3.177 7.261 ( 0.000 0.000 0.468) 0.468 7.283 ( 0.000 0.000 3.905) 3.905 7.499 ( 0.000 0.000 6.455) 6.455 7.552 ( 0.000 0.000 -1.333) 1.333 7.580 ( 0.000 0.000 1.797) 1.797 7.683 ( 0.000 0.000 0.138) 0.138 7.791 ( 0.000 0.000 3.676) 3.676 7.808 ( 0.000 0.000 4.440) 4.440 7.880 ( 0.000 0.000 2.993) 2.993 7.924 ( 0.000 0.000 -2.142) 2.142 7.931 ( 0.000 0.000 2.659) 2.659 8.027 ( 0.000 0.000 -5.766) 5.766 8.104 ( 0.000 0.000 -1.571) 1.571 8.248 ( 0.000 0.000 -2.664) 2.664 8.260 ( 0.000 0.000 -1.849) 1.849 8.289 ( 0.000 0.000 -1.378) 1.378 8.300 ( 0.000 0.000 -1.964) 1.964 8.759 ( 0.000 0.000 3.492) 3.492 8.820 ( 0.000 0.000 4.578) 4.578 8.888 ( 0.000 0.000 0.033) 0.033 8.954 ( 0.000 0.000 1.192) 1.192 9.066 ( 0.000 0.000 2.205) 2.205 9.085 ( 0.000 0.000 5.737) 5.737 9.179 ( 0.000 0.000 -2.201) 2.201 9.217 ( 0.000 0.000 2.195) 2.195 9.349 ( 0.000 0.000 3.066) 3.066 9.405 ( 0.000 0.000 -0.611) 0.611 9.441 ( 0.000 0.000 -0.563) 0.563 9.453 ( 0.000 0.000 -1.607) 1.607 9.560 ( 0.000 0.000 -2.249) 2.249 9.569 ( 0.000 0.000 -2.304) 2.304 9.614 ( 0.000 0.000 -3.518) 3.518 9.621 ( 0.000 0.000 -0.544) 0.544 9.857 ( 0.000 0.000 1.857) 1.857 10.012 ( 0.000 0.000 -2.061) 2.061 10.056 ( 0.000 0.000 1.834) 1.834 10.136 ( 0.000 0.000 -0.661) 0.661 10.587 ( 0.000 0.000 1.971) 1.971 10.587 ( 0.000 0.000 0.721) 0.721 10.725 ( 0.000 0.000 -1.232) 1.232 10.821 ( 0.000 0.000 -0.869) 0.869 10.916 ( 0.000 0.000 -3.225) 3.225 11.061 ( 0.000 0.000 -3.338) 3.338 11.090 ( 0.000 0.000 0.443) 0.443 11.148 ( 0.000 0.000 0.947) 0.947 11.273 ( 0.000 0.000 0.553) 0.553 11.295 ( 0.000 0.000 2.507) 2.507 11.308 ( 0.000 0.000 -2.244) 2.244 11.409 ( 0.000 0.000 -0.114) 0.114 11.742 ( 0.000 0.000 2.379) 2.379 11.785 ( 0.000 0.000 0.227) 0.227 11.837 ( 0.000 0.000 -1.780) 1.780 11.946 ( 0.000 0.000 -3.246) 3.246 12.033 ( 0.000 0.000 2.067) 2.067 12.073 ( 0.000 0.000 1.367) 1.367 12.105 ( 0.000 0.000 0.271) 0.271 12.108 ( 0.000 0.000 0.126) 0.126 13.222 ( 0.000 0.000 1.215) 1.215 13.264 ( 0.000 0.000 1.577) 1.577 13.291 ( 0.000 0.000 -0.535) 0.535 13.358 ( 0.000 0.000 -0.693) 0.693 13.590 ( 0.000 0.000 1.317) 1.317 13.646 ( 0.000 0.000 0.345) 0.345 13.686 ( 0.000 0.000 -0.662) 0.662 13.688 ( 0.000 0.000 -1.249) 1.249 18.237 ( 0.000 0.000 3.561) 3.561 18.407 ( 0.000 0.000 3.209) 3.209 18.436 ( 0.000 0.000 4.428) 4.428 18.503 ( 0.000 0.000 1.404) 1.404 18.633 ( 0.000 0.000 -5.304) 5.304 18.738 ( 0.000 0.000 -2.760) 2.760 18.845 ( 0.000 0.000 -3.044) 3.044 18.855 ( 0.000 0.000 -3.947) 3.947 19.292 ( 0.000 0.000 2.972) 2.972 19.367 ( 0.000 0.000 0.747) 0.747 19.420 ( 0.000 0.000 5.576) 5.576 19.682 ( 0.000 0.000 5.327) 5.327 19.749 ( 0.000 0.000 -4.671) 4.671 19.797 ( 0.000 0.000 1.207) 1.207 19.817 ( 0.000 0.000 0.631) 0.631 19.977 ( 0.000 0.000 -0.321) 0.321 20.042 ( 0.000 0.000 -1.601) 1.601 20.086 ( 0.000 0.000 -2.136) 2.136 20.216 ( 0.000 0.000 0.136) 0.136 20.270 ( 0.000 0.000 5.726) 5.726 20.333 ( 0.000 0.000 2.928) 2.928 20.530 ( 0.000 0.000 -4.050) 4.050 20.582 ( 0.000 0.000 -3.400) 3.400 20.620 ( 0.000 0.000 -1.842) 1.842 20.668 ( 0.000 0.000 -8.647) 8.647 20.699 ( 0.000 0.000 1.861) 1.861 20.733 ( 0.000 0.000 -2.897) 2.897 20.836 ( 0.000 0.000 -1.213) 1.213 21.031 ( 0.000 0.000 4.035) 4.035 21.118 ( 0.000 0.000 -0.803) 0.803 21.173 ( 0.000 0.000 2.448) 2.448 21.304 ( 0.000 0.000 -0.996) 0.996 21.413 ( 0.000 0.000 4.749) 4.749 21.469 ( 0.000 0.000 0.133) 0.133 21.646 ( 0.000 0.000 -4.916) 4.916 21.748 ( 0.000 0.000 -7.995) 7.995 22.053 ( 0.000 0.000 6.707) 6.707 22.137 ( 0.000 0.000 2.048) 2.048 22.247 ( 0.000 0.000 2.790) 2.790 22.325 ( 0.000 0.000 2.785) 2.785 22.366 ( 0.000 0.000 -0.158) 0.158 22.378 ( 0.000 0.000 -1.130) 1.130 22.499 ( 0.000 0.000 -1.843) 1.843 22.663 ( 0.000 0.000 -9.413) 9.413 22.923 ( 0.000 0.000 4.094) 4.094 22.955 ( 0.000 0.000 4.603) 4.603 23.031 ( 0.000 0.000 1.341) 1.341 23.090 ( 0.000 0.000 -0.400) 0.400 ======================= Grid point 28 (12/30) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 16.858 0.000 13.699) 21.722 0.718 ( 14.045 0.000 19.345) 23.906 0.734 ( 21.431 0.000 12.972) 25.051 0.923 ( -9.998 0.000 21.742) 23.930 1.034 ( -15.640 0.000 10.405) 18.785 1.230 ( 10.087 0.000 -8.608) 13.261 1.301 ( -1.124 0.000 0.675) 1.311 1.373 ( -21.314 0.000 1.698) 21.381 1.575 ( 2.011 0.000 -1.887) 2.757 1.657 ( -4.287 0.000 -11.599) 12.366 1.703 ( 5.510 0.000 7.184) 9.054 1.705 ( -2.240 0.000 1.220) 2.551 1.834 ( -2.796 0.000 0.449) 2.832 1.872 ( -2.876 0.000 1.365) 3.183 1.893 ( 7.234 0.000 -0.763) 7.274 1.934 ( -5.322 0.000 2.009) 5.688 1.968 ( -2.165 0.000 -1.124) 2.439 2.079 ( -3.022 0.000 1.956) 3.600 2.170 ( 2.139 0.000 0.853) 2.303 2.191 ( -2.148 0.000 0.079) 2.149 2.227 ( 3.087 0.000 -2.582) 4.025 2.296 ( -2.092 0.000 2.346) 3.144 2.321 ( 3.996 0.000 -0.453) 4.022 2.380 ( -0.997 0.000 -4.521) 4.630 2.423 ( 6.501 0.000 5.395) 8.448 2.470 ( 0.742 0.000 1.865) 2.008 2.506 ( 2.474 0.000 1.185) 2.744 2.552 ( -2.774 0.000 -0.328) 2.793 2.617 ( -1.344 0.000 -0.292) 1.375 2.664 ( -3.632 0.000 -0.689) 3.697 2.703 ( 4.162 0.000 -4.442) 6.087 2.714 ( 1.906 0.000 -5.121) 5.464 2.796 ( -2.934 0.000 -0.393) 2.960 2.805 ( -2.587 0.000 -4.229) 4.957 2.828 ( 6.723 0.000 -2.390) 7.135 2.876 ( -0.279 0.000 1.567) 1.592 2.927 ( 2.005 0.000 -3.369) 3.920 2.970 ( 1.636 0.000 2.628) 3.095 2.987 ( -0.174 0.000 -0.677) 0.699 3.076 ( -8.781 0.000 -4.156) 9.715 3.162 ( 1.745 0.000 -2.652) 3.174 3.183 ( -0.568 0.000 -3.422) 3.469 3.302 ( -0.425 0.000 -1.213) 1.285 3.334 ( -3.226 0.000 -1.334) 3.491 3.391 ( 2.113 0.000 -1.184) 2.422 3.410 ( -0.618 0.000 0.790) 1.003 3.458 ( 3.029 0.000 -3.549) 4.666 3.465 ( 1.184 0.000 2.650) 2.902 3.552 ( 0.841 0.000 0.478) 0.967 3.608 ( -0.522 0.000 -3.383) 3.423 3.656 ( 1.206 0.000 -2.607) 2.872 3.719 ( -6.475 0.000 -6.239) 8.992 3.846 ( 6.584 0.000 -5.300) 8.452 3.862 ( 3.577 0.000 -2.002) 4.099 3.926 ( 0.750 0.000 -3.353) 3.436 3.937 ( 0.031 0.000 -6.571) 6.572 4.024 ( 3.466 0.000 -4.989) 6.075 4.079 ( -0.039 0.000 2.218) 2.218 4.086 ( 4.148 0.000 -4.099) 5.832 4.121 ( 0.433 0.000 -0.406) 0.594 4.186 ( -2.757 0.000 -0.250) 2.769 4.194 ( -0.616 0.000 2.242) 2.325 4.229 ( -3.174 0.000 3.754) 4.916 4.264 ( -5.055 0.000 0.329) 5.066 4.379 ( 0.177 0.000 1.066) 1.081 4.392 ( -1.696 0.000 -0.479) 1.762 4.458 ( 1.991 0.000 -2.961) 3.568 4.505 ( 0.040 0.000 2.584) 2.584 4.564 ( -1.058 0.000 2.321) 2.551 4.568 ( -0.178 0.000 8.648) 8.650 4.669 ( 3.348 0.000 5.224) 6.205 4.689 ( 1.103 0.000 3.826) 3.982 4.917 ( -0.097 0.000 2.123) 2.125 4.920 ( 4.127 0.000 -1.070) 4.264 4.951 ( -3.924 0.000 0.789) 4.002 4.993 ( -3.216 0.000 0.049) 3.217 5.135 ( 1.057 0.000 3.073) 3.250 5.157 ( -0.407 0.000 1.939) 1.981 5.263 ( 1.975 0.000 2.432) 3.133 5.281 ( 1.137 0.000 1.620) 1.979 5.406 ( 0.333 0.000 -2.064) 2.091 5.427 ( -2.034 0.000 -1.669) 2.631 5.455 ( 2.159 0.000 -1.867) 2.854 5.503 ( -2.488 0.000 -0.177) 2.494 5.584 ( 2.059 0.000 -1.245) 2.406 5.612 ( -0.582 0.000 1.477) 1.588 5.646 ( 0.079 0.000 0.408) 0.416 5.648 ( -0.221 0.000 -0.572) 0.614 5.729 ( 0.779 0.000 0.701) 1.048 5.778 ( -3.402 0.000 -2.155) 4.027 5.804 ( 2.036 0.000 -5.665) 6.020 5.835 ( -1.013 0.000 -5.928) 6.014 6.005 ( 2.654 0.000 -0.650) 2.733 6.035 ( -1.097 0.000 -0.781) 1.347 6.040 ( 5.765 0.000 -0.856) 5.828 6.133 ( -3.233 0.000 -3.930) 5.089 6.635 ( 6.960 0.000 -3.823) 7.941 6.759 ( -5.907 0.000 -1.839) 6.187 6.882 ( 1.505 0.000 -7.715) 7.860 6.908 ( -0.399 0.000 -2.527) 2.559 7.043 ( 3.577 0.000 1.518) 3.886 7.146 ( -6.164 0.000 5.017) 7.948 7.190 ( 5.442 0.000 -1.883) 5.759 7.269 ( -1.811 0.000 -1.987) 2.689 7.301 ( 2.123 0.000 5.235) 5.649 7.394 ( -8.113 0.000 5.684) 9.905 7.527 ( 2.875 0.000 6.595) 7.195 7.600 ( -4.160 0.000 4.399) 6.055 7.713 ( 5.437 0.000 0.934) 5.517 7.783 ( -1.384 0.000 3.030) 3.331 7.840 ( 2.348 0.000 2.898) 3.730 7.886 ( 0.674 0.000 3.138) 3.210 7.893 ( -2.964 0.000 2.121) 3.644 7.910 ( -1.569 0.000 -0.424) 1.626 8.067 ( 2.628 0.000 -6.171) 6.707 8.097 ( -0.769 0.000 -2.910) 3.010 8.202 ( -0.509 0.000 1.808) 1.878 8.242 ( -3.306 0.000 -0.142) 3.309 8.282 ( 1.537 0.000 -2.153) 2.645 8.306 ( -0.579 0.000 -1.978) 2.061 8.764 ( 1.209 0.000 3.184) 3.406 8.798 ( -1.923 0.000 3.749) 4.213 8.965 ( 3.418 0.000 -2.777) 4.404 8.975 ( 1.462 0.000 0.560) 1.565 9.067 ( 0.211 0.000 1.687) 1.700 9.077 ( -0.718 0.000 3.451) 3.525 9.180 ( 0.222 0.000 -1.013) 1.037 9.197 ( -1.513 0.000 1.605) 2.205 9.356 ( 0.693 0.000 3.013) 3.092 9.381 ( -2.128 0.000 1.547) 2.630 9.423 ( -0.433 0.000 0.738) 0.856 9.431 ( -0.820 0.000 -0.330) 0.884 9.553 ( -0.069 0.000 -1.150) 1.152 9.562 ( -0.682 0.000 -1.376) 1.536 9.630 ( 0.584 0.000 -2.817) 2.877 9.631 ( 0.453 0.000 -1.437) 1.506 9.909 ( 4.695 0.000 0.964) 4.793 10.000 ( -4.265 0.000 0.701) 4.322 10.038 ( 2.615 0.000 -1.288) 2.915 10.102 ( -3.400 0.000 0.098) 3.402 10.598 ( 1.017 0.000 0.618) 1.190 10.604 ( 0.982 0.000 1.016) 1.413 10.719 ( -0.100 0.000 -0.038) 0.107 10.763 ( -4.164 0.000 0.167) 4.167 10.909 ( -0.386 0.000 -1.530) 1.578 10.927 ( -4.017 0.000 4.023) 5.685 11.148 ( 6.872 0.000 -4.740) 8.348 11.215 ( 1.772 0.000 -0.280) 1.794 11.277 ( -1.592 0.000 2.273) 2.776 11.289 ( -3.231 0.000 -3.573) 4.817 11.318 ( 2.534 0.000 -1.062) 2.748 11.378 ( -2.903 0.000 -0.096) 2.904 11.748 ( 0.458 0.000 2.113) 2.162 11.755 ( -0.529 0.000 1.821) 1.896 11.896 ( 2.759 0.000 -2.810) 3.938 11.935 ( -1.258 0.000 -3.041) 3.291 12.029 ( 0.056 0.000 2.377) 2.377 12.043 ( -1.351 0.000 2.706) 3.024 12.119 ( 0.847 0.000 -0.390) 0.933 12.127 ( 0.332 0.000 -1.324) 1.365 13.242 ( 0.946 0.000 0.461) 1.052 13.256 ( -0.693 0.000 1.219) 1.402 13.304 ( 1.479 0.000 -0.692) 1.633 13.339 ( -1.784 0.000 -0.803) 1.956 13.598 ( 0.776 0.000 1.667) 1.839 13.615 ( -1.058 0.000 1.983) 2.248 13.714 ( 2.110 0.000 -1.805) 2.777 13.736 ( 0.713 0.000 -3.459) 3.532 18.215 ( -1.498 0.000 5.774) 5.965 18.232 ( -5.208 0.000 10.735) 11.932 18.473 ( 3.439 0.000 4.539) 5.694 18.539 ( -2.143 0.000 2.800) 3.526 18.650 ( 1.691 0.000 -5.082) 5.356 18.701 ( -4.209 0.000 -1.887) 4.613 18.790 ( 4.855 0.000 -4.187) 6.411 18.887 ( -3.876 0.000 -7.602) 8.533 19.373 ( 2.218 0.000 3.189) 3.885 19.406 ( -1.347 0.000 5.241) 5.412 19.445 ( 7.778 0.000 1.196) 7.869 19.590 ( -7.121 0.000 2.310) 7.486 19.765 ( -0.271 0.000 0.138) 0.304 19.767 ( 0.292 0.000 -1.441) 1.471 19.914 ( 6.682 0.000 1.845) 6.932 19.995 ( -0.121 0.000 0.481) 0.496 20.097 ( 1.498 0.000 -1.518) 2.133 20.152 ( -4.736 0.000 -0.785) 4.801 20.161 ( 6.928 0.000 -8.487) 10.956 20.252 ( -2.660 0.000 0.615) 2.730 20.365 ( 2.664 0.000 2.563) 3.697 20.443 ( -5.631 0.000 0.135) 5.632 20.574 ( -0.494 0.000 -3.402) 3.437 20.585 ( -2.005 0.000 -6.072) 6.395 20.673 ( 0.410 0.000 -1.755) 1.803 20.686 ( -1.015 0.000 0.381) 1.084 20.806 ( 3.858 0.000 -4.429) 5.874 20.839 ( -0.037 0.000 -2.908) 2.908 21.065 ( 3.845 0.000 2.910) 4.822 21.146 ( -3.197 0.000 2.100) 3.825 21.172 ( 3.749 0.000 -0.536) 3.787 21.233 ( -4.047 0.000 1.788) 4.425 21.388 ( -1.483 0.000 5.753) 5.941 21.398 ( -2.682 0.000 5.555) 6.168 21.698 ( 2.228 0.000 -7.979) 8.284 21.732 ( -1.479 0.000 -7.772) 7.912 22.066 ( 2.252 0.000 6.531) 6.908 22.142 ( -5.616 0.000 7.097) 9.051 22.202 ( 5.187 0.000 2.107) 5.598 22.293 ( -3.511 0.000 2.455) 4.284 22.369 ( 0.333 0.000 -0.330) 0.469 22.381 ( -0.857 0.000 -1.431) 1.668 22.565 ( 4.517 0.000 -5.762) 7.321 22.636 ( -2.698 0.000 -8.292) 8.720 22.927 ( 1.101 0.000 5.522) 5.631 22.975 ( -4.014 0.000 5.507) 6.815 22.989 ( 2.615 0.000 2.705) 3.763 23.038 ( -2.442 0.000 1.761) 3.011 ======================= Grid point 30 (13/30) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 0.000 18.900 7.915) 20.490 0.610 ( 0.000 15.199 13.397) 20.261 0.939 ( 0.000 23.111 19.584) 30.293 1.156 ( 0.000 6.830 -3.488) 7.669 1.170 ( 0.000 0.996 5.158) 5.254 1.226 ( 0.000 6.678 9.464) 11.583 1.347 ( 0.000 2.026 6.815) 7.110 1.376 ( 0.000 -2.631 2.603) 3.702 1.613 ( 0.000 3.573 7.394) 8.212 1.622 ( 0.000 -0.245 -10.628) 10.631 1.768 ( 0.000 -0.141 -5.725) 5.727 1.818 ( 0.000 -2.794 -2.450) 3.716 1.859 ( 0.000 5.570 -3.856) 6.774 1.934 ( 0.000 11.538 0.875) 11.571 1.964 ( 0.000 0.458 2.670) 2.709 2.048 ( 0.000 0.120 0.058) 0.133 2.066 ( 0.000 1.503 1.002) 1.806 2.103 ( 0.000 -0.948 -1.114) 1.463 2.126 ( 0.000 5.693 0.806) 5.750 2.179 ( 0.000 2.586 4.127) 4.870 2.230 ( 0.000 4.867 -2.263) 5.367 2.279 ( 0.000 2.883 1.835) 3.418 2.381 ( 0.000 0.388 2.073) 2.109 2.390 ( 0.000 3.173 1.960) 3.730 2.430 ( 0.000 -0.004 -0.219) 0.219 2.437 ( 0.000 2.512 3.988) 4.713 2.539 ( 0.000 -3.046 -3.995) 5.023 2.555 ( 0.000 2.063 -6.940) 7.240 2.583 ( 0.000 1.049 -1.481) 1.815 2.635 ( 0.000 -1.521 2.342) 2.792 2.684 ( 0.000 -1.844 -2.351) 2.988 2.695 ( 0.000 -0.256 1.519) 1.540 2.778 ( 0.000 -1.025 0.197) 1.044 2.803 ( 0.000 4.000 -1.629) 4.319 2.844 ( 0.000 -0.801 -1.006) 1.286 2.899 ( 0.000 1.391 -1.172) 1.819 2.955 ( 0.000 2.967 -2.325) 3.769 2.965 ( 0.000 -0.841 0.631) 1.052 3.023 ( 0.000 2.755 0.274) 2.769 3.049 ( 0.000 -3.091 -0.882) 3.215 3.123 ( 0.000 -3.101 -0.573) 3.154 3.201 ( 0.000 2.282 -2.071) 3.082 3.299 ( 0.000 -4.231 -3.986) 5.813 3.349 ( 0.000 1.151 -0.718) 1.357 3.369 ( 0.000 -2.872 2.625) 3.891 3.385 ( 0.000 0.581 -4.192) 4.232 3.471 ( 0.000 2.572 2.364) 3.493 3.508 ( 0.000 2.924 -3.519) 4.575 3.556 ( 0.000 2.395 0.987) 2.590 3.636 ( 0.000 2.917 -2.230) 3.672 3.734 ( 0.000 5.935 -7.779) 9.785 3.736 ( 0.000 -1.977 -1.661) 2.582 3.809 ( 0.000 -0.593 -6.078) 6.107 3.876 ( 0.000 -1.407 -2.900) 3.224 3.896 ( 0.000 1.905 -4.017) 4.445 3.907 ( 0.000 -0.163 -1.462) 1.471 3.953 ( 0.000 1.807 -4.887) 5.210 4.020 ( 0.000 -0.104 -2.943) 2.945 4.109 ( 0.000 0.143 1.832) 1.837 4.134 ( 0.000 -0.363 -0.859) 0.932 4.202 ( 0.000 1.204 1.295) 1.768 4.212 ( 0.000 -0.034 -1.572) 1.572 4.281 ( 0.000 0.964 3.142) 3.286 4.315 ( 0.000 -3.516 1.845) 3.971 4.346 ( 0.000 -1.884 1.919) 2.689 4.399 ( 0.000 2.610 -0.093) 2.612 4.457 ( 0.000 -2.098 4.118) 4.622 4.510 ( 0.000 -5.170 0.153) 5.172 4.539 ( 0.000 3.996 5.054) 6.443 4.577 ( 0.000 -1.486 0.977) 1.778 4.586 ( 0.000 3.466 4.798) 5.919 4.722 ( 0.000 1.533 0.703) 1.687 4.873 ( 0.000 1.060 -0.443) 1.149 4.887 ( 0.000 -1.898 1.583) 2.472 4.982 ( 0.000 -3.136 -0.021) 3.136 5.061 ( 0.000 1.679 0.024) 1.679 5.123 ( 0.000 -1.433 2.711) 3.067 5.126 ( 0.000 0.220 4.906) 4.911 5.223 ( 0.000 1.320 3.092) 3.362 5.297 ( 0.000 2.656 0.762) 2.763 5.379 ( 0.000 -3.123 -3.347) 4.578 5.389 ( 0.000 -1.651 -1.511) 2.238 5.476 ( 0.000 -2.642 -4.518) 5.234 5.527 ( 0.000 -2.664 -5.006) 5.670 5.535 ( 0.000 -1.563 5.099) 5.333 5.597 ( 0.000 -0.335 1.560) 1.595 5.597 ( 0.000 -3.473 1.658) 3.848 5.635 ( 0.000 -1.857 -0.886) 2.058 5.732 ( 0.000 -2.908 -0.193) 2.915 5.738 ( 0.000 -1.522 2.910) 3.284 5.781 ( 0.000 -3.563 -2.424) 4.310 5.839 ( 0.000 0.990 -3.183) 3.334 5.959 ( 0.000 4.088 -0.044) 4.088 6.021 ( 0.000 2.103 -0.834) 2.263 6.097 ( 0.000 2.496 -2.737) 3.704 6.152 ( 0.000 -0.963 -5.578) 5.660 6.550 ( 0.000 0.655 0.734) 0.984 6.756 ( 0.000 -4.469 -2.635) 5.187 6.865 ( 0.000 -0.951 -0.058) 0.952 6.903 ( 0.000 -3.351 -2.261) 4.043 6.978 ( 0.000 0.309 1.044) 1.089 7.142 ( 0.000 1.953 -0.855) 2.132 7.212 ( 0.000 -2.165 4.601) 5.085 7.248 ( 0.000 -1.413 1.163) 1.830 7.330 ( 0.000 4.368 5.357) 6.912 7.460 ( 0.000 -2.628 3.627) 4.479 7.543 ( 0.000 -1.909 4.588) 4.969 7.585 ( 0.000 2.680 -1.694) 3.171 7.672 ( 0.000 2.862 3.025) 4.164 7.743 ( 0.000 -2.750 3.032) 4.093 7.835 ( 0.000 -4.934 2.988) 5.768 7.841 ( 0.000 -1.865 3.886) 4.311 7.858 ( 0.000 1.876 3.781) 4.221 7.922 ( 0.000 -1.451 -0.948) 1.733 8.059 ( 0.000 0.705 -4.719) 4.771 8.070 ( 0.000 -1.925 0.573) 2.008 8.202 ( 0.000 -1.018 0.395) 1.092 8.235 ( 0.000 -3.338 -1.198) 3.547 8.284 ( 0.000 0.662 -1.433) 1.579 8.304 ( 0.000 -2.806 -1.539) 3.201 8.768 ( 0.000 1.080 1.346) 1.725 8.872 ( 0.000 -1.304 0.782) 1.520 8.957 ( 0.000 0.126 0.015) 0.127 8.974 ( 0.000 5.968 -3.235) 6.788 9.097 ( 0.000 0.376 4.636) 4.651 9.129 ( 0.000 3.613 -3.335) 4.917 9.184 ( 0.000 0.612 -3.314) 3.370 9.197 ( 0.000 -1.633 -0.198) 1.645 9.345 ( 0.000 -0.759 1.424) 1.614 9.363 ( 0.000 -3.169 0.842) 3.279 9.432 ( 0.000 -1.020 -2.115) 2.348 9.444 ( 0.000 -1.823 -1.071) 2.115 9.563 ( 0.000 -2.369 -1.209) 2.660 9.572 ( 0.000 2.373 -0.536) 2.433 9.605 ( 0.000 1.511 -1.815) 2.362 9.652 ( 0.000 -0.123 -1.097) 1.104 9.854 ( 0.000 0.316 2.232) 2.254 9.947 ( 0.000 -2.312 1.572) 2.796 10.130 ( 0.000 0.566 1.691) 1.783 10.136 ( 0.000 3.686 -0.952) 3.807 10.594 ( 0.000 1.017 1.619) 1.912 10.638 ( 0.000 4.748 0.244) 4.755 10.732 ( 0.000 0.671 -1.029) 1.229 10.845 ( 0.000 2.058 -1.704) 2.672 10.899 ( 0.000 -0.911 -3.278) 3.402 10.969 ( 0.000 -4.877 -1.307) 5.049 11.116 ( 0.000 0.013 -1.196) 1.196 11.125 ( 0.000 -4.865 0.311) 4.874 11.275 ( 0.000 0.725 -0.197) 0.751 11.329 ( 0.000 3.853 -4.013) 5.563 11.367 ( 0.000 4.983 3.059) 5.847 11.529 ( 0.000 5.500 -3.800) 6.685 11.740 ( 0.000 -0.258 2.751) 2.763 11.759 ( 0.000 -0.832 0.550) 0.997 11.817 ( 0.000 -1.819 -0.538) 1.897 11.972 ( 0.000 -0.336 -2.053) 2.080 12.027 ( 0.000 -1.245 0.202) 1.262 12.064 ( 0.000 -0.214 -1.250) 1.268 12.078 ( 0.000 1.353 1.064) 1.721 12.127 ( 0.000 1.043 -1.399) 1.745 13.222 ( 0.000 -0.058 1.538) 1.539 13.259 ( 0.000 -1.266 0.317) 1.305 13.341 ( 0.000 3.035 -2.635) 4.019 13.356 ( 0.000 -0.176 -0.906) 0.923 13.576 ( 0.000 -1.241 0.850) 1.504 13.633 ( 0.000 -1.174 0.325) 1.218 13.657 ( 0.000 -2.337 1.209) 2.631 13.671 ( 0.000 -1.595 -1.145) 1.964 18.224 ( 0.000 -1.368 5.030) 5.212 18.357 ( 0.000 -1.987 6.313) 6.618 18.419 ( 0.000 -1.481 1.872) 2.387 18.516 ( 0.000 0.377 0.382) 0.536 18.649 ( 0.000 2.246 -3.068) 3.803 18.683 ( 0.000 -1.731 3.333) 3.756 18.790 ( 0.000 -5.799 -3.227) 6.636 18.837 ( 0.000 -1.327 1.354) 1.895 19.121 ( 0.000 -8.121 7.087) 10.778 19.307 ( 0.000 -6.195 3.373) 7.053 19.438 ( 0.000 0.288 8.388) 8.393 19.497 ( 0.000 -0.717 4.808) 4.861 19.598 ( 0.000 -8.920 -1.353) 9.022 19.705 ( 0.000 -5.605 1.841) 5.899 19.761 ( 0.000 -7.003 -1.808) 7.232 19.944 ( 0.000 -4.753 -1.754) 5.066 20.056 ( 0.000 2.595 1.715) 3.111 20.100 ( 0.000 -2.606 0.717) 2.703 20.219 ( 0.000 3.004 1.487) 3.352 20.267 ( 0.000 0.439 0.590) 0.735 20.414 ( 0.000 2.154 -2.762) 3.503 20.472 ( 0.000 -1.430 -1.616) 2.157 20.604 ( 0.000 -2.830 -1.881) 3.398 20.640 ( 0.000 -3.995 -1.325) 4.209 20.690 ( 0.000 4.142 -0.487) 4.171 20.757 ( 0.000 4.274 0.614) 4.318 20.833 ( 0.000 4.067 -1.989) 4.528 20.901 ( 0.000 -0.724 -5.529) 5.576 20.966 ( 0.000 -2.763 1.090) 2.970 21.061 ( 0.000 -2.792 -1.767) 3.304 21.144 ( 0.000 -1.268 0.581) 1.395 21.288 ( 0.000 -1.824 -2.429) 3.038 21.439 ( 0.000 2.524 2.139) 3.309 21.530 ( 0.000 4.753 1.599) 5.015 21.576 ( 0.000 -4.072 -4.754) 6.259 21.739 ( 0.000 -9.617 2.864) 10.035 21.951 ( 0.000 6.704 -6.359) 9.240 22.104 ( 0.000 -2.935 1.078) 3.127 22.283 ( 0.000 -1.448 -1.112) 1.826 22.320 ( 0.000 -5.055 -2.434) 5.610 22.333 ( 0.000 -0.198 1.063) 1.082 22.459 ( 0.000 -3.199 -2.531) 4.079 22.460 ( 0.000 5.464 1.059) 5.565 22.660 ( 0.000 -0.961 -5.413) 5.497 22.876 ( 0.000 -5.942 7.261) 9.382 22.907 ( 0.000 -3.046 4.212) 5.198 22.933 ( 0.000 -5.685 8.747) 10.432 23.059 ( 0.000 0.931 0.502) 1.058 ======================= Grid point 31 (14/30) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 10.831 7.437 7.351) 15.055 0.796 ( 5.987 7.429 17.914) 20.297 0.899 ( -13.854 1.345 9.410) 16.801 1.080 ( -8.072 8.562 16.109) 19.949 1.144 ( 16.978 21.812 7.879) 28.742 1.282 ( 8.306 6.773 -5.420) 12.010 1.366 ( 3.680 4.745 0.189) 6.008 1.525 ( -4.447 5.376 -0.854) 7.029 1.613 ( -3.074 4.816 -2.145) 6.103 1.651 ( -5.759 0.339 -7.069) 9.124 1.692 ( -3.330 5.205 2.677) 6.734 1.730 ( 2.622 1.248 3.669) 4.679 1.823 ( -0.784 1.550 -1.094) 2.053 1.908 ( 0.579 1.960 0.184) 2.052 1.922 ( -3.171 2.675 2.696) 4.948 1.989 ( -4.339 3.901 2.144) 6.216 2.028 ( 0.566 4.780 1.838) 5.152 2.104 ( -0.682 1.156 0.820) 1.573 2.158 ( 0.723 -0.612 -0.152) 0.960 2.199 ( 0.324 0.268 1.684) 1.735 2.231 ( -1.832 1.282 -2.453) 3.319 2.304 ( -2.020 -0.720 0.022) 2.145 2.344 ( 4.072 1.613 -1.445) 4.612 2.404 ( 0.784 1.689 -2.094) 2.802 2.421 ( 1.526 1.688 1.190) 2.568 2.485 ( 0.506 -0.177 0.306) 0.617 2.547 ( -3.653 0.426 2.916) 4.694 2.567 ( 0.047 1.013 -0.112) 1.020 2.589 ( 2.529 1.367 0.876) 3.005 2.652 ( 0.238 -2.098 -4.911) 5.346 2.679 ( 2.095 -0.933 -0.130) 2.297 2.712 ( 0.526 -0.683 0.645) 1.077 2.765 ( -1.367 -0.224 -1.116) 1.779 2.799 ( 1.898 -0.233 -3.268) 3.786 2.846 ( 1.362 1.883 -3.657) 4.333 2.893 ( -3.555 0.860 0.677) 3.720 2.962 ( -0.863 2.249 -1.633) 2.910 3.001 ( 3.470 2.476 -0.027) 4.263 3.022 ( 0.155 0.471 -0.530) 0.726 3.046 ( 0.073 -0.085 -2.281) 2.284 3.133 ( 1.788 -0.373 -1.164) 2.166 3.193 ( -1.606 0.102 -2.718) 3.159 3.290 ( -0.427 -2.299 -3.348) 4.084 3.321 ( -2.647 -1.301 -0.385) 2.975 3.380 ( 1.730 -2.845 0.604) 3.384 3.408 ( -0.726 1.480 -1.648) 2.331 3.485 ( 2.436 1.868 1.515) 3.424 3.500 ( 2.790 -0.158 2.425) 3.700 3.551 ( -1.230 3.309 -0.230) 3.537 3.620 ( -5.762 0.551 -3.316) 6.671 3.695 ( 3.214 3.444 -3.464) 5.848 3.744 ( -0.476 -0.249 -4.603) 4.634 3.797 ( -3.953 1.735 -2.779) 5.134 3.837 ( 1.601 -1.580 -4.154) 4.723 3.933 ( 0.181 2.495 -7.241) 7.660 3.948 ( 1.984 -0.793 -3.923) 4.467 3.982 ( 1.370 -3.003 -3.268) 4.645 4.046 ( 0.883 -0.273 -1.557) 1.810 4.090 ( 1.971 -1.401 -0.157) 2.423 4.146 ( -1.904 0.606 0.116) 2.001 4.190 ( -0.637 -1.151 0.374) 1.368 4.217 ( 0.494 2.611 -1.677) 3.143 4.255 ( -0.698 1.962 3.171) 3.794 4.282 ( -3.073 1.261 1.631) 3.701 4.347 ( 0.476 -2.522 2.389) 3.506 4.404 ( 1.865 -0.287 -0.840) 2.066 4.476 ( -1.358 2.108 0.109) 2.510 4.492 ( -0.300 -0.840 1.306) 1.581 4.566 ( 0.587 1.174 4.363) 4.556 4.585 ( 1.678 0.954 2.956) 3.530 4.656 ( 5.180 -1.045 4.564) 6.982 4.730 ( -0.529 1.809 2.658) 3.258 4.865 ( -0.326 -2.801 1.815) 3.353 4.894 ( 0.893 -1.878 0.189) 2.088 4.955 ( -1.610 -2.299 -1.547) 3.205 5.002 ( -4.458 2.314 1.266) 5.180 5.107 ( -0.171 0.067 4.347) 4.351 5.162 ( 1.206 -1.173 3.488) 3.872 5.239 ( 0.577 0.097 -1.782) 1.876 5.319 ( 1.699 0.691 0.616) 1.935 5.389 ( 0.618 -1.993 -2.130) 2.982 5.394 ( 0.161 -1.392 -1.250) 1.878 5.473 ( -0.089 -0.524 -3.199) 3.243 5.491 ( -1.808 -1.530 -1.902) 3.037 5.553 ( 1.212 -3.790 0.985) 4.099 5.594 ( -0.409 -2.723 -0.336) 2.774 5.606 ( 0.199 -1.727 2.508) 3.051 5.628 ( -0.190 -1.906 -0.106) 1.918 5.708 ( 0.338 -1.679 0.338) 1.746 5.741 ( -1.739 -2.162 -1.314) 3.070 5.791 ( 1.308 -1.001 -2.181) 2.733 5.854 ( -0.842 0.467 -3.954) 4.069 5.984 ( 3.760 0.625 1.311) 4.030 6.052 ( 0.722 1.519 -2.476) 2.993 6.085 ( -0.212 1.848 -1.669) 2.499 6.131 ( -1.900 0.041 -2.527) 3.162 6.613 ( 5.501 -1.348 -1.470) 5.851 6.720 ( -4.648 -3.075 -1.653) 5.813 6.826 ( -0.047 -3.595 -1.038) 3.742 6.907 ( -1.886 -1.622 -6.483) 6.944 7.008 ( 2.805 -1.126 7.031) 7.653 7.143 ( -1.086 0.755 1.833) 2.261 7.223 ( 1.874 0.204 -1.867) 2.653 7.259 ( 0.135 -0.645 -0.557) 0.863 7.349 ( 2.486 4.084 5.953) 7.635 7.427 ( -4.477 1.339 3.634) 5.919 7.501 ( -0.297 0.001 5.743) 5.751 7.564 ( -1.758 -0.931 3.763) 4.256 7.721 ( 2.088 0.278 -0.015) 2.107 7.765 ( 2.337 -1.608 3.333) 4.377 7.809 ( -1.377 -3.591 3.688) 5.328 7.845 ( -0.269 -0.645 2.396) 2.496 7.885 ( 1.030 0.125 1.811) 2.087 7.914 ( -0.393 -1.154 0.789) 1.452 8.056 ( 0.536 -1.026 -4.643) 4.785 8.087 ( 0.674 -0.826 -1.011) 1.469 8.183 ( -1.243 -1.493 0.298) 1.966 8.197 ( -2.357 -3.608 0.310) 4.320 8.289 ( 1.198 0.248 -1.254) 1.752 8.313 ( -0.465 -0.751 -1.810) 2.014 8.779 ( 0.820 0.462 1.220) 1.541 8.869 ( -0.686 1.740 2.471) 3.099 8.962 ( 0.617 0.462 -1.696) 1.863 8.989 ( 1.196 1.804 -1.782) 2.804 9.102 ( 0.368 1.717 3.306) 3.743 9.118 ( -1.481 3.266 -1.998) 4.105 9.163 ( -0.486 -1.310 -0.592) 1.518 9.200 ( -0.106 0.163 -3.990) 3.995 9.354 ( 1.063 -1.023 1.735) 2.278 9.375 ( 0.632 -2.075 0.204) 2.178 9.401 ( -2.057 -1.083 -0.369) 2.354 9.417 ( -1.827 -1.416 0.300) 2.331 9.562 ( 0.284 1.605 -0.631) 1.748 9.578 ( -0.217 -0.013 -1.604) 1.619 9.611 ( 0.975 0.251 -0.361) 1.069 9.636 ( -1.324 -0.516 -0.619) 1.550 9.906 ( 3.807 -0.040 1.862) 4.238 9.966 ( 0.926 -1.433 1.899) 2.553 10.084 ( -2.032 2.638 -0.691) 3.401 10.127 ( -1.815 1.886 0.763) 2.726 10.605 ( 0.601 1.597 0.727) 1.855 10.644 ( 0.573 2.957 0.847) 3.129 10.728 ( 0.156 2.167 -1.019) 2.399 10.807 ( -3.598 2.135 -2.068) 4.667 10.890 ( 0.684 -0.400 -1.434) 1.638 10.958 ( -5.028 0.884 1.205) 5.245 11.045 ( 4.278 -4.794 -1.557) 6.611 11.147 ( -2.280 -4.907 -0.847) 5.477 11.263 ( -0.238 0.246 -0.786) 0.857 11.360 ( -0.182 3.993 3.077) 5.044 11.384 ( 2.707 4.221 -3.875) 6.337 11.502 ( -2.326 6.725 -2.739) 7.625 11.733 ( -0.010 -1.543 2.427) 2.876 11.748 ( -0.374 0.009 1.835) 1.873 11.862 ( 2.685 -2.140 -1.119) 3.611 11.939 ( -2.071 -0.989 -0.703) 2.400 12.039 ( 0.439 -0.233 0.850) 0.985 12.054 ( -0.954 1.258 0.502) 1.656 12.090 ( 0.953 -0.131 -2.499) 2.678 12.143 ( 0.739 0.758 -1.281) 1.662 13.230 ( 0.610 -0.489 1.477) 1.671 13.247 ( -0.854 -1.082 1.138) 1.787 13.339 ( 0.282 2.200 -1.645) 2.762 13.352 ( -0.712 0.931 -1.474) 1.883 13.580 ( 0.542 -1.549 1.299) 2.093 13.606 ( -0.989 -0.961 2.003) 2.432 13.681 ( 1.038 -2.691 -1.795) 3.397 13.705 ( 1.334 -2.743 -1.326) 3.326 18.198 ( -1.109 0.069 6.276) 6.373 18.270 ( -3.303 2.364 7.229) 8.292 18.466 ( 3.390 -0.941 1.710) 3.912 18.557 ( 0.239 1.307 0.626) 1.469 18.638 ( 0.457 0.004 -2.677) 2.716 18.681 ( -3.962 -2.161 -2.694) 5.256 18.784 ( 4.664 -0.172 -2.756) 5.420 18.867 ( -2.142 -1.986 -4.689) 5.525 19.248 ( 8.503 -13.833 6.537) 17.504 19.317 ( 0.566 -9.338 4.167) 10.241 19.446 ( 0.308 2.005 6.862) 7.155 19.496 ( -0.290 -1.682 7.073) 7.276 19.605 ( 0.967 -8.861 -2.433) 9.239 19.667 ( -2.580 -7.353 -2.326) 8.132 19.804 ( 2.395 -9.764 -1.671) 10.191 19.958 ( -0.569 -6.380 -2.276) 6.798 20.015 ( 1.103 -0.153 3.312) 3.494 20.099 ( -2.651 -2.238 1.551) 3.800 20.218 ( 0.725 5.507 -0.182) 5.557 20.283 ( 1.248 1.834 -0.744) 2.340 20.398 ( -1.790 2.523 -0.088) 3.095 20.445 ( -1.871 1.238 0.425) 2.284 20.596 ( 0.066 -4.349 -3.522) 5.597 20.631 ( -0.936 -1.858 -3.549) 4.114 20.652 ( -1.837 2.468 1.475) 3.412 20.743 ( -0.871 3.191 2.416) 4.096 20.864 ( 1.656 6.028 -3.665) 7.246 20.956 ( 4.765 -1.333 -3.871) 6.282 21.011 ( 1.175 0.012 -3.258) 3.464 21.064 ( 1.755 -5.448 1.953) 6.048 21.133 ( -1.373 -2.215 -1.840) 3.190 21.227 ( -4.479 -0.225 -0.037) 4.485 21.393 ( -2.049 1.079 2.498) 3.406 21.485 ( -2.184 5.657 6.209) 8.679 21.607 ( 1.271 -2.746 -4.950) 5.802 21.744 ( 0.016 -9.022 1.111) 9.090 21.957 ( 0.534 5.281 -6.436) 8.342 22.157 ( 4.160 -2.842 1.084) 5.153 22.237 ( -3.296 -1.139 0.659) 3.549 22.286 ( -1.585 -1.141 1.073) 2.228 22.354 ( -0.074 -1.481 -1.604) 2.184 22.423 ( -0.791 3.145 2.754) 4.255 22.489 ( 0.812 -4.653 -6.715) 8.210 22.656 ( -0.069 0.182 -4.236) 4.240 22.871 ( 0.027 -3.812 6.355) 7.411 22.916 ( -0.864 -5.016 8.612) 10.004 22.974 ( 4.203 -1.995 2.106) 5.107 23.039 ( -2.184 0.029 0.712) 2.297 ======================= Grid point 33 (15/30) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 20.810 4.868) 21.372 0.947 ( 0.000 17.335 4.626) 17.942 1.206 ( 0.000 4.252 -1.920) 4.665 1.260 ( 0.000 5.358 2.159) 5.777 1.320 ( 0.000 10.261 -0.612) 10.279 1.469 ( 0.000 11.450 6.066) 12.958 1.478 ( 0.000 8.832 6.949) 11.238 1.510 ( 0.000 17.968 9.662) 20.401 1.649 ( 0.000 3.686 -5.269) 6.430 1.740 ( 0.000 7.683 1.949) 7.927 1.753 ( 0.000 -0.289 -6.382) 6.389 1.816 ( 0.000 5.508 -0.487) 5.530 1.917 ( 0.000 0.350 -2.280) 2.307 1.998 ( 0.000 0.556 -0.010) 0.556 2.073 ( 0.000 2.435 1.340) 2.779 2.092 ( 0.000 1.041 0.675) 1.240 2.120 ( 0.000 2.393 1.258) 2.704 2.129 ( 0.000 5.155 -0.693) 5.202 2.206 ( 0.000 1.569 2.205) 2.706 2.227 ( 0.000 2.842 3.059) 4.176 2.326 ( 0.000 5.287 1.055) 5.391 2.332 ( 0.000 -0.074 2.511) 2.513 2.361 ( 0.000 -3.040 0.220) 3.048 2.414 ( 0.000 0.643 1.745) 1.860 2.450 ( 0.000 0.455 0.975) 1.076 2.464 ( 0.000 2.481 1.610) 2.958 2.523 ( 0.000 -0.144 -3.470) 3.473 2.539 ( 0.000 0.159 1.757) 1.764 2.580 ( 0.000 0.416 -0.846) 0.943 2.604 ( 0.000 -3.675 -2.826) 4.636 2.698 ( 0.000 3.048 -2.863) 4.182 2.745 ( 0.000 1.651 0.158) 1.659 2.787 ( 0.000 -2.041 -0.097) 2.043 2.845 ( 0.000 -1.459 -1.549) 2.128 2.876 ( 0.000 5.563 1.265) 5.705 2.922 ( 0.000 0.172 -0.918) 0.934 2.962 ( 0.000 0.008 -2.613) 2.613 2.972 ( 0.000 0.390 0.328) 0.510 3.030 ( 0.000 4.026 -0.329) 4.040 3.064 ( 0.000 -0.450 2.039) 2.088 3.093 ( 0.000 1.901 0.466) 1.957 3.216 ( 0.000 -0.921 -2.471) 2.637 3.286 ( 0.000 2.920 -0.795) 3.026 3.308 ( 0.000 -1.186 0.094) 1.190 3.328 ( 0.000 -2.090 0.420) 2.132 3.424 ( 0.000 1.417 -1.392) 1.986 3.490 ( 0.000 -3.371 1.182) 3.573 3.537 ( 0.000 2.960 -0.250) 2.971 3.613 ( 0.000 3.757 -0.910) 3.866 3.660 ( 0.000 0.620 -3.281) 3.339 3.726 ( 0.000 -1.987 -4.965) 5.348 3.770 ( 0.000 4.495 -3.815) 5.895 3.885 ( 0.000 4.506 -1.783) 4.846 3.888 ( 0.000 -1.664 -3.737) 4.091 3.913 ( 0.000 1.187 -0.367) 1.243 3.932 ( 0.000 3.354 -1.069) 3.520 4.032 ( 0.000 -0.511 -0.233) 0.561 4.040 ( 0.000 4.649 -1.253) 4.814 4.087 ( 0.000 -2.530 -3.805) 4.569 4.099 ( 0.000 0.892 -3.727) 3.832 4.168 ( 0.000 -1.890 -1.942) 2.710 4.200 ( 0.000 -0.152 0.437) 0.463 4.272 ( 0.000 -1.092 3.787) 3.942 4.293 ( 0.000 1.167 1.874) 2.208 4.383 ( 0.000 4.371 0.106) 4.372 4.430 ( 0.000 -1.904 0.609) 1.999 4.471 ( 0.000 2.754 3.285) 4.287 4.475 ( 0.000 3.663 -3.109) 4.805 4.549 ( 0.000 -1.655 0.690) 1.793 4.589 ( 0.000 1.016 9.262) 9.317 4.687 ( 0.000 5.907 -1.096) 6.008 4.727 ( 0.000 -0.724 0.734) 1.031 4.835 ( 0.000 -4.397 0.732) 4.458 4.859 ( 0.000 -0.823 2.558) 2.688 4.924 ( 0.000 -2.285 -0.695) 2.389 5.033 ( 0.000 -3.435 -0.249) 3.444 5.123 ( 0.000 1.410 2.538) 2.903 5.159 ( 0.000 1.365 2.066) 2.476 5.220 ( 0.000 -1.832 0.022) 1.832 5.320 ( 0.000 -2.383 -2.081) 3.164 5.342 ( 0.000 -2.136 -2.338) 3.167 5.345 ( 0.000 -8.824 -2.842) 9.270 5.362 ( 0.000 2.029 -3.320) 3.892 5.456 ( 0.000 -3.607 -2.805) 4.569 5.480 ( 0.000 -2.679 3.092) 4.091 5.531 ( 0.000 -3.627 1.883) 4.087 5.585 ( 0.000 -3.209 -2.577) 4.115 5.588 ( 0.000 -1.514 2.756) 3.145 5.689 ( 0.000 -3.065 4.185) 5.187 5.693 ( 0.000 -0.173 1.300) 1.312 5.726 ( 0.000 -1.561 -1.281) 2.019 5.855 ( 0.000 0.211 -2.300) 2.310 6.025 ( 0.000 1.615 -1.561) 2.246 6.062 ( 0.000 1.601 -0.292) 1.627 6.129 ( 0.000 0.673 -1.266) 1.434 6.138 ( 0.000 0.164 -2.651) 2.656 6.569 ( 0.000 1.166 1.409) 1.828 6.666 ( 0.000 -4.664 -0.366) 4.679 6.821 ( 0.000 -3.014 -1.276) 3.273 6.835 ( 0.000 -1.637 -0.938) 1.887 7.007 ( 0.000 1.210 5.064) 5.207 7.173 ( 0.000 -0.239 -1.469) 1.488 7.189 ( 0.000 0.560 1.189) 1.314 7.212 ( 0.000 -0.879 1.078) 1.391 7.413 ( 0.000 -2.156 1.274) 2.504 7.427 ( 0.000 3.772 4.266) 5.695 7.520 ( 0.000 -0.900 4.554) 4.642 7.626 ( 0.000 0.784 -1.390) 1.596 7.699 ( 0.000 -1.274 1.913) 2.298 7.720 ( 0.000 -0.644 1.178) 1.343 7.748 ( 0.000 -2.574 3.072) 4.008 7.808 ( 0.000 -1.333 1.982) 2.389 7.885 ( 0.000 -0.959 -0.530) 1.096 7.924 ( 0.000 4.275 1.821) 4.646 8.039 ( 0.000 -2.524 -1.349) 2.862 8.042 ( 0.000 -1.160 1.748) 2.098 8.152 ( 0.000 -3.933 0.397) 3.953 8.157 ( 0.000 -3.261 -1.247) 3.491 8.249 ( 0.000 -1.756 0.067) 1.757 8.307 ( 0.000 1.271 -1.888) 2.276 8.773 ( 0.000 -0.180 0.853) 0.872 8.846 ( 0.000 -0.933 1.853) 2.074 8.954 ( 0.000 -0.502 -2.018) 2.080 9.050 ( 0.000 1.087 -1.134) 1.570 9.074 ( 0.000 -2.308 0.121) 2.312 9.130 ( 0.000 -2.028 -1.153) 2.333 9.193 ( 0.000 0.436 -4.917) 4.936 9.195 ( 0.000 -0.340 -4.469) 4.482 9.313 ( 0.000 -1.426 -3.044) 3.362 9.315 ( 0.000 -1.208 4.393) 4.556 9.401 ( 0.000 -2.717 0.024) 2.717 9.403 ( 0.000 -1.546 -1.710) 2.305 9.511 ( 0.000 -2.785 -0.813) 2.901 9.608 ( 0.000 0.900 0.836) 1.228 9.615 ( 0.000 -2.818 0.891) 2.955 9.638 ( 0.000 1.866 -0.566) 1.950 9.889 ( 0.000 3.237 4.043) 5.179 9.924 ( 0.000 -0.678 3.359) 3.427 10.154 ( 0.000 1.167 0.136) 1.175 10.184 ( 0.000 1.285 -1.265) 1.803 10.621 ( 0.000 1.525 1.732) 2.308 10.746 ( 0.000 3.513 -0.844) 3.613 10.757 ( 0.000 2.976 -0.404) 3.004 10.858 ( 0.000 -2.004 -2.939) 3.558 10.899 ( 0.000 -1.675 -1.149) 2.031 10.904 ( 0.000 1.921 -0.154) 1.927 11.036 ( 0.000 -2.998 1.374) 3.298 11.111 ( 0.000 -0.191 -0.305) 0.359 11.286 ( 0.000 0.276 -1.376) 1.404 11.378 ( 0.000 1.278 -4.081) 4.276 11.455 ( 0.000 2.961 3.298) 4.432 11.590 ( 0.000 0.956 -1.102) 1.459 11.728 ( 0.000 -0.868 3.460) 3.568 11.776 ( 0.000 2.134 -1.934) 2.880 11.779 ( 0.000 -1.353 0.790) 1.567 11.938 ( 0.000 -1.800 0.109) 1.804 11.993 ( 0.000 -1.558 0.084) 1.560 12.066 ( 0.000 -0.453 -0.519) 0.689 12.124 ( 0.000 2.598 -1.612) 3.058 12.174 ( 0.000 2.977 -5.430) 6.192 13.217 ( 0.000 -0.540 2.225) 2.289 13.227 ( 0.000 -1.563 1.802) 2.386 13.353 ( 0.000 -0.047 -1.310) 1.311 13.376 ( 0.000 0.604 -2.598) 2.668 13.545 ( 0.000 -1.618 0.273) 1.641 13.602 ( 0.000 -1.797 0.006) 1.797 13.605 ( 0.000 -2.610 1.862) 3.206 13.629 ( 0.000 -2.351 -0.660) 2.442 18.232 ( 0.000 2.886 3.112) 4.244 18.359 ( 0.000 -4.449 -1.526) 4.703 18.371 ( 0.000 2.285 2.014) 3.046 18.522 ( 0.000 -0.552 -1.470) 1.570 18.644 ( 0.000 -4.950 1.413) 5.148 18.686 ( 0.000 1.645 2.965) 3.391 18.740 ( 0.000 4.460 -2.283) 5.010 18.845 ( 0.000 1.758 0.891) 1.971 19.022 ( 0.000 -3.284 2.439) 4.091 19.147 ( 0.000 -7.805 6.293) 10.026 19.388 ( 0.000 -3.712 0.627) 3.764 19.413 ( 0.000 -9.086 1.121) 9.155 19.566 ( 0.000 5.675 2.188) 6.083 19.601 ( 0.000 -7.972 -0.714) 8.004 19.692 ( 0.000 2.757 1.800) 3.293 19.780 ( 0.000 -9.567 -3.953) 10.351 19.999 ( 0.000 -8.012 1.289) 8.115 20.021 ( 0.000 -4.791 4.991) 6.919 20.275 ( 0.000 -0.691 0.789) 1.049 20.308 ( 0.000 0.018 -2.329) 2.329 20.410 ( 0.000 -2.099 1.712) 2.708 20.484 ( 0.000 3.633 -0.535) 3.673 20.527 ( 0.000 -4.226 0.217) 4.231 20.578 ( 0.000 -0.858 -1.790) 1.985 20.655 ( 0.000 -4.365 2.451) 5.006 20.774 ( 0.000 -2.463 -2.745) 3.687 20.889 ( 0.000 4.572 -0.239) 4.578 20.892 ( 0.000 1.971 1.698) 2.601 20.952 ( 0.000 -1.739 1.196) 2.111 21.005 ( 0.000 -2.617 -0.831) 2.745 21.179 ( 0.000 3.678 -4.481) 5.797 21.237 ( 0.000 -2.930 -1.827) 3.453 21.471 ( 0.000 -5.084 -0.511) 5.110 21.501 ( 0.000 3.442 -1.371) 3.705 21.615 ( 0.000 -3.292 -2.023) 3.864 21.636 ( 0.000 5.331 1.119) 5.447 22.035 ( 0.000 -3.330 -0.819) 3.430 22.092 ( 0.000 5.711 -8.634) 10.352 22.215 ( 0.000 -4.449 -2.116) 4.927 22.245 ( 0.000 -1.898 -2.092) 2.825 22.306 ( 0.000 -2.282 0.518) 2.340 22.379 ( 0.000 -4.533 -2.198) 5.038 22.532 ( 0.000 2.243 1.885) 2.930 22.615 ( 0.000 -3.313 0.179) 3.318 22.747 ( 0.000 -5.633 9.634) 11.160 22.851 ( 0.000 -2.448 1.809) 3.043 22.861 ( 0.000 -3.102 4.907) 5.805 23.045 ( 0.000 -2.296 -0.430) 2.336 ======================= Grid point 34 (16/30) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -0.391 18.572 -0.274) 18.578 0.993 ( -6.717 11.825 4.938) 14.468 1.048 ( -0.226 13.428 8.415) 15.849 1.305 ( -0.482 12.139 9.440) 15.385 1.392 ( 1.531 8.479 -1.748) 8.792 1.483 ( 5.839 7.429 -2.466) 9.765 1.570 ( 4.071 3.568 1.248) 5.555 1.640 ( 5.634 10.027 -1.640) 11.618 1.667 ( 1.876 7.470 -1.019) 7.769 1.715 ( 3.499 5.435 1.840) 6.721 1.790 ( 2.345 6.549 2.449) 7.375 1.865 ( 3.505 5.493 1.415) 6.668 1.912 ( -0.063 3.090 -0.919) 3.224 1.956 ( -3.835 1.830 -0.048) 4.249 1.997 ( -7.590 7.157 2.312) 10.686 2.046 ( -6.688 2.425 3.784) 8.058 2.096 ( 0.150 -1.196 -2.489) 2.765 2.124 ( 0.862 2.227 1.229) 2.686 2.176 ( -2.151 5.179 1.190) 5.733 2.235 ( -2.878 2.015 2.706) 4.435 2.262 ( 0.192 2.155 -0.498) 2.220 2.305 ( -2.874 2.020 0.197) 3.518 2.360 ( 0.129 0.773 -1.757) 1.924 2.420 ( 3.345 0.913 2.371) 4.201 2.474 ( 1.624 -0.267 0.603) 1.753 2.495 ( 0.060 1.915 -0.435) 1.965 2.519 ( 0.419 -1.944 -0.187) 1.997 2.547 ( -0.841 -0.689 0.586) 1.235 2.610 ( -0.462 -1.720 -2.643) 3.187 2.637 ( 2.402 -0.700 2.396) 3.464 2.662 ( 1.221 0.211 -2.756) 3.022 2.731 ( -2.119 2.425 1.738) 3.659 2.771 ( -2.148 -0.639 -0.120) 2.245 2.801 ( -1.655 -3.309 -0.659) 3.758 2.849 ( -1.107 0.414 -0.849) 1.455 2.889 ( -2.191 1.182 -1.878) 3.118 2.988 ( 3.870 -3.340 -0.810) 5.176 3.040 ( 3.060 0.872 -0.901) 3.307 3.049 ( 0.010 2.732 -1.453) 3.094 3.068 ( 0.115 1.401 -0.349) 1.448 3.139 ( 3.096 2.796 -1.211) 4.344 3.222 ( -2.186 2.105 -1.909) 3.586 3.260 ( -1.130 -1.134 -0.396) 1.649 3.285 ( -1.280 0.311 1.248) 1.815 3.314 ( 1.527 -1.232 1.097) 2.248 3.406 ( -3.389 -0.355 1.152) 3.597 3.507 ( 1.655 1.014 0.329) 1.968 3.543 ( -1.119 3.285 -0.504) 3.506 3.618 ( 2.412 2.636 -2.069) 4.129 3.656 ( 1.327 1.443 -2.247) 2.982 3.749 ( 1.090 1.244 -3.575) 3.939 3.780 ( 0.327 3.150 -4.270) 5.317 3.853 ( -1.889 0.786 -3.406) 3.973 3.865 ( -2.690 3.297 -1.606) 4.549 3.892 ( -1.894 0.141 -1.804) 2.619 3.977 ( 2.518 2.971 -0.316) 3.907 4.025 ( -0.486 -1.833 -0.193) 1.906 4.035 ( -0.788 3.613 -5.230) 6.405 4.074 ( 2.978 0.260 -0.270) 3.001 4.139 ( -1.876 -1.374 -1.581) 2.812 4.155 ( -0.487 -0.061 -1.913) 1.975 4.203 ( 2.852 -1.774 -1.473) 3.667 4.278 ( 0.645 -0.440 2.933) 3.035 4.295 ( -1.856 0.900 1.285) 2.430 4.381 ( 0.126 3.092 -0.678) 3.168 4.417 ( -1.111 2.807 1.500) 3.371 4.448 ( -1.459 -1.393 -0.920) 2.217 4.513 ( 2.997 -0.341 3.490) 4.613 4.569 ( 2.543 -0.145 2.321) 3.446 4.612 ( 0.346 0.439 4.901) 4.932 4.680 ( 0.335 3.719 0.068) 3.735 4.731 ( -2.910 -0.530 1.513) 3.322 4.829 ( 2.843 -1.057 0.297) 3.047 4.865 ( 0.192 -0.770 0.568) 0.976 4.908 ( -1.352 -2.009 -0.833) 2.560 5.014 ( -2.231 -1.482 1.474) 3.058 5.129 ( 0.675 -0.239 1.503) 1.665 5.151 ( -0.879 1.165 1.913) 2.407 5.221 ( -0.083 -1.996 -2.351) 3.085 5.298 ( -0.785 -3.358 -2.549) 4.289 5.353 ( 1.570 -1.627 -0.914) 2.439 5.363 ( 1.920 -1.828 -1.112) 2.875 5.406 ( 1.093 -5.202 -1.368) 5.489 5.440 ( -1.306 -2.964 -2.196) 3.913 5.472 ( 0.189 -3.091 0.836) 3.207 5.533 ( -0.677 -2.751 -0.854) 2.959 5.553 ( -0.431 -3.059 0.748) 3.178 5.592 ( -0.668 -1.425 2.544) 2.992 5.667 ( -0.590 -2.271 -0.293) 2.365 5.713 ( -0.613 -1.037 2.288) 2.586 5.768 ( 4.122 -0.928 -0.420) 4.246 5.843 ( -1.876 -1.090 -1.611) 2.702 6.017 ( 1.085 0.814 -2.244) 2.622 6.080 ( -1.342 1.304 -0.493) 1.935 6.110 ( 0.727 0.832 -0.816) 1.374 6.139 ( -0.655 0.687 -0.659) 1.156 6.596 ( 2.417 -0.395 0.716) 2.552 6.654 ( -1.671 -3.256 0.484) 3.692 6.767 ( -1.581 -1.803 -0.574) 2.466 6.863 ( -0.044 -2.179 -3.314) 3.966 7.012 ( 0.747 1.069 4.833) 5.005 7.157 ( -0.823 0.612 2.758) 2.943 7.215 ( 0.740 -0.329 -0.320) 0.871 7.234 ( 1.863 -1.822 -0.796) 2.724 7.366 ( -1.445 -2.100 2.081) 3.290 7.466 ( 0.014 1.660 3.628) 3.990 7.528 ( 2.792 1.699 3.528) 4.809 7.595 ( -2.847 2.637 -0.582) 3.924 7.685 ( -1.508 -2.668 2.448) 3.922 7.732 ( 0.354 -3.423 4.431) 5.611 7.769 ( 1.826 0.531 -0.464) 1.958 7.830 ( 1.872 -1.422 0.865) 2.505 7.860 ( -1.187 -2.362 0.618) 2.715 7.927 ( -0.944 3.353 1.942) 3.988 8.025 ( 0.887 -1.679 -2.707) 3.307 8.076 ( 0.648 -0.416 1.253) 1.471 8.106 ( -0.780 -4.285 0.196) 4.360 8.144 ( -2.550 -2.774 0.473) 3.797 8.279 ( 2.128 -0.917 -0.434) 2.358 8.306 ( -0.482 0.480 -1.377) 1.535 8.770 ( -0.111 -0.789 0.514) 0.949 8.860 ( 0.777 -1.144 3.344) 3.619 8.965 ( 0.812 -0.044 -2.539) 2.666 9.019 ( -1.252 -0.529 -1.601) 2.101 9.095 ( 0.309 -2.563 0.437) 2.619 9.133 ( 0.239 0.305 -0.891) 0.972 9.182 ( 0.055 0.821 -4.680) 4.752 9.200 ( -0.338 0.020 -6.638) 6.646 9.308 ( -0.056 -2.419 1.073) 2.646 9.316 ( -0.039 -2.834 -0.577) 2.893 9.373 ( -2.001 -1.639 -1.211) 2.856 9.395 ( -0.373 -1.191 2.666) 2.943 9.525 ( 1.076 -2.962 -1.566) 3.519 9.588 ( -1.161 -1.856 1.055) 2.431 9.631 ( 0.594 1.502 0.383) 1.660 9.644 ( 0.385 1.446 -0.522) 1.585 9.920 ( 2.001 1.272 3.931) 4.591 9.950 ( 1.713 -0.247 3.887) 4.255 10.136 ( -0.628 2.030 -0.456) 2.174 10.163 ( -2.098 1.624 -0.810) 2.774 10.647 ( 2.384 2.052 1.453) 3.465 10.710 ( -2.906 3.202 0.471) 4.349 10.774 ( 1.947 1.842 -0.951) 2.844 10.823 ( -2.827 -0.439 -1.839) 3.401 10.908 ( 2.322 1.371 -1.052) 2.894 10.947 ( 0.449 -0.946 -1.016) 1.459 10.999 ( -2.517 -0.323 -0.592) 2.606 11.070 ( -1.957 -2.475 0.698) 3.231 11.278 ( 0.096 1.357 -1.641) 2.132 11.432 ( 1.378 2.018 -0.646) 2.528 11.439 ( 0.474 1.676 -0.308) 1.769 11.577 ( -1.148 0.786 -1.231) 1.858 11.709 ( -0.614 -0.221 2.392) 2.480 11.758 ( -0.593 0.646 1.622) 1.844 11.828 ( 2.360 -0.834 -0.905) 2.661 11.913 ( -1.626 -1.120 0.326) 2.001 12.016 ( 1.605 -1.401 0.510) 2.190 12.046 ( -1.465 -0.803 0.322) 1.702 12.144 ( 1.181 3.057 -3.796) 5.015 12.172 ( -0.227 2.142 -4.089) 4.621 13.217 ( 0.014 -0.994 2.119) 2.340 13.225 ( -0.148 -0.867 2.135) 2.309 13.361 ( 0.603 0.299 -1.632) 1.765 13.372 ( -0.453 0.642 -2.302) 2.432 13.545 ( 0.173 -1.710 0.757) 1.878 13.578 ( -0.926 -1.654 1.824) 2.630 13.622 ( 0.442 -2.834 -1.028) 3.047 13.642 ( 0.731 -3.145 -0.171) 3.233 18.234 ( 0.361 3.397 2.378) 4.162 18.317 ( -2.006 1.776 3.882) 4.717 18.432 ( 4.511 -2.427 -3.506) 6.207 18.522 ( -2.153 -5.292 -4.795) 7.458 18.653 ( 0.962 1.972 2.963) 3.687 18.683 ( -0.884 2.633 -1.200) 3.025 18.793 ( 4.658 0.718 0.119) 4.714 18.840 ( -0.674 0.445 -0.012) 0.807 19.016 ( 0.129 -7.490 6.751) 10.084 19.129 ( -1.506 -7.376 7.066) 10.324 19.383 ( -0.371 -7.018 -0.298) 7.034 19.471 ( 3.887 -5.233 -0.057) 6.519 19.524 ( -1.829 0.189 2.885) 3.421 19.593 ( -2.544 1.492 0.765) 3.047 19.633 ( -1.538 -6.466 -3.576) 7.547 19.809 ( -0.736 -6.940 -2.766) 7.507 19.966 ( 1.152 -4.755 5.086) 7.057 20.050 ( -0.284 -4.195 4.443) 6.117 20.258 ( -0.327 -2.061 -1.009) 2.318 20.315 ( 0.095 -1.455 -0.457) 1.528 20.443 ( 1.906 -0.544 0.337) 2.010 20.469 ( -1.349 3.537 -1.171) 3.962 20.537 ( 1.544 -1.062 -0.183) 1.883 20.578 ( -0.704 -0.269 -3.017) 3.110 20.691 ( 3.139 -2.178 3.531) 5.202 20.767 ( -0.908 -2.164 0.138) 2.351 20.802 ( -3.753 -0.301 1.375) 4.009 20.914 ( -0.696 -4.498 3.286) 5.613 20.994 ( 3.344 -0.984 -1.718) 3.886 21.047 ( 3.599 0.996 -3.354) 5.019 21.132 ( -4.198 1.820 -4.879) 6.689 21.227 ( -1.817 -0.152 -0.277) 1.844 21.419 ( -0.462 1.363 0.080) 1.441 21.539 ( -0.606 -2.442 0.134) 2.519 21.592 ( -0.284 -0.219 -2.545) 2.570 21.641 ( 0.109 3.065 0.335) 3.085 22.077 ( 1.209 0.150 -4.414) 4.579 22.094 ( 2.973 1.789 -4.592) 5.755 22.185 ( -3.709 -2.566 -1.055) 4.632 22.247 ( 0.504 -2.348 -0.740) 2.513 22.314 ( 0.381 -2.428 -1.882) 3.096 22.381 ( 0.318 -4.778 -4.166) 6.347 22.474 ( -2.972 0.546 4.144) 5.129 22.639 ( 0.917 -1.477 -1.803) 2.504 22.779 ( 2.136 -5.760 9.149) 11.021 22.818 ( -1.641 -3.449 6.770) 7.773 22.928 ( 4.592 -2.578 0.418) 5.283 23.015 ( -2.989 -2.395 -0.179) 3.835 ======================= Grid point 36 (17/30) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 14.482 -2.061) 14.628 1.321 ( 0.000 17.148 0.215) 17.149 1.360 ( 0.000 11.727 -1.686) 11.848 1.416 ( 0.000 10.877 1.694) 11.008 1.535 ( 0.000 8.876 2.079) 9.116 1.644 ( 0.000 6.423 0.252) 6.428 1.667 ( 0.000 7.341 6.446) 9.769 1.758 ( 0.000 3.265 -4.115) 5.253 1.762 ( 0.000 10.138 -3.529) 10.734 1.793 ( 0.000 6.975 1.309) 7.096 1.828 ( 0.000 3.704 0.002) 3.704 1.917 ( 0.000 0.216 1.231) 1.250 1.966 ( 0.000 -2.178 -2.161) 3.068 2.021 ( 0.000 0.564 3.866) 3.907 2.087 ( 0.000 -1.006 -0.384) 1.076 2.106 ( 0.000 1.815 -0.776) 1.974 2.186 ( 0.000 2.481 2.254) 3.352 2.209 ( 0.000 2.818 0.076) 2.819 2.246 ( 0.000 0.985 -0.404) 1.065 2.275 ( 0.000 0.426 1.253) 1.323 2.310 ( 0.000 -0.369 2.789) 2.813 2.314 ( 0.000 4.854 2.695) 5.552 2.402 ( 0.000 -2.142 3.646) 4.228 2.415 ( 0.000 3.449 5.173) 6.218 2.441 ( 0.000 -1.887 -1.491) 2.405 2.481 ( 0.000 -2.537 1.571) 2.984 2.512 ( 0.000 -3.511 -1.986) 4.033 2.532 ( 0.000 2.922 -3.129) 4.281 2.548 ( 0.000 0.341 2.829) 2.849 2.649 ( 0.000 -0.332 -0.406) 0.524 2.687 ( 0.000 -2.423 -0.301) 2.442 2.688 ( 0.000 -3.741 1.323) 3.968 2.772 ( 0.000 1.038 -0.980) 1.427 2.827 ( 0.000 1.380 -1.303) 1.898 2.908 ( 0.000 -1.820 0.794) 1.986 2.921 ( 0.000 -0.772 -0.541) 0.943 2.973 ( 0.000 -0.391 1.425) 1.478 3.002 ( 0.000 2.178 0.618) 2.264 3.094 ( 0.000 3.158 -0.425) 3.186 3.100 ( 0.000 0.504 -1.991) 2.054 3.151 ( 0.000 2.658 1.794) 3.207 3.222 ( 0.000 1.839 -0.422) 1.887 3.315 ( 0.000 2.939 0.010) 2.939 3.361 ( 0.000 6.018 1.948) 6.326 3.403 ( 0.000 -1.874 -2.624) 3.224 3.421 ( 0.000 6.638 -1.120) 6.732 3.463 ( 0.000 2.759 -0.137) 2.762 3.531 ( 0.000 -1.307 -0.989) 1.639 3.637 ( 0.000 -2.886 -4.040) 4.965 3.640 ( 0.000 -2.032 -2.758) 3.426 3.771 ( 0.000 2.178 0.804) 2.321 3.812 ( 0.000 0.221 -3.685) 3.691 3.885 ( 0.000 0.332 0.823) 0.887 3.926 ( 0.000 1.457 0.380) 1.506 3.943 ( 0.000 -1.739 -3.361) 3.784 3.971 ( 0.000 0.885 -2.461) 2.615 3.998 ( 0.000 1.276 -2.114) 2.469 4.075 ( 0.000 1.212 -0.903) 1.511 4.110 ( 0.000 6.007 0.332) 6.016 4.141 ( 0.000 1.331 -3.073) 3.349 4.230 ( 0.000 -0.153 2.483) 2.488 4.230 ( 0.000 5.405 -0.602) 5.438 4.302 ( 0.000 4.115 0.671) 4.169 4.324 ( 0.000 1.564 -2.395) 2.860 4.399 ( 0.000 -0.302 0.917) 0.965 4.452 ( 0.000 1.679 1.131) 2.025 4.490 ( 0.000 -3.147 2.382) 3.947 4.507 ( 0.000 0.371 2.514) 2.541 4.548 ( 0.000 2.337 -0.701) 2.440 4.610 ( 0.000 1.656 6.247) 6.463 4.711 ( 0.000 -1.367 -0.445) 1.437 4.746 ( 0.000 -2.750 1.318) 3.049 4.811 ( 0.000 4.398 -2.904) 5.270 4.877 ( 0.000 3.181 1.047) 3.349 4.895 ( 0.000 0.258 0.859) 0.897 4.957 ( 0.000 -2.800 2.608) 3.827 5.116 ( 0.000 -2.955 0.348) 2.975 5.135 ( 0.000 -4.588 -1.171) 4.735 5.174 ( 0.000 -5.924 0.350) 5.935 5.201 ( 0.000 0.608 -2.055) 2.143 5.278 ( 0.000 -3.854 -3.604) 5.277 5.288 ( 0.000 -1.247 -1.960) 2.323 5.363 ( 0.000 -1.333 -1.082) 1.717 5.388 ( 0.000 -3.898 1.032) 4.032 5.446 ( 0.000 -4.182 -2.159) 4.706 5.447 ( 0.000 -0.844 -0.410) 0.938 5.502 ( 0.000 -3.818 -1.881) 4.257 5.569 ( 0.000 0.220 -0.375) 0.435 5.644 ( 0.000 -1.403 2.422) 2.799 5.706 ( 0.000 0.903 0.661) 1.119 5.709 ( 0.000 -0.243 0.392) 0.461 5.847 ( 0.000 -1.173 -0.005) 1.173 6.023 ( 0.000 -0.623 -2.441) 2.519 6.079 ( 0.000 0.127 0.722) 0.733 6.129 ( 0.000 -0.504 0.596) 0.781 6.150 ( 0.000 -0.043 0.298) 0.301 6.577 ( 0.000 -3.534 1.697) 3.921 6.595 ( 0.000 1.332 2.178) 2.553 6.775 ( 0.000 -2.111 -1.377) 2.520 6.810 ( 0.000 -0.698 -2.484) 2.581 7.038 ( 0.000 2.596 5.464) 6.050 7.133 ( 0.000 -2.132 0.880) 2.307 7.212 ( 0.000 -0.502 -0.334) 0.603 7.232 ( 0.000 2.933 -1.077) 3.125 7.369 ( 0.000 -2.080 0.108) 2.083 7.463 ( 0.000 0.472 0.787) 0.918 7.492 ( 0.000 -2.034 5.080) 5.472 7.635 ( 0.000 0.065 -0.320) 0.326 7.660 ( 0.000 -3.613 2.038) 4.148 7.669 ( 0.000 -1.311 1.492) 1.986 7.727 ( 0.000 -0.226 0.841) 0.871 7.750 ( 0.000 -3.508 0.207) 3.514 7.889 ( 0.000 -0.265 -2.601) 2.615 7.944 ( 0.000 -3.661 -1.990) 4.166 7.998 ( 0.000 -3.433 0.745) 3.512 8.043 ( 0.000 3.117 1.652) 3.528 8.110 ( 0.000 0.847 3.318) 3.425 8.130 ( 0.000 1.589 -0.876) 1.815 8.218 ( 0.000 -1.565 -0.059) 1.566 8.326 ( 0.000 0.425 -2.146) 2.187 8.778 ( 0.000 0.800 1.193) 1.437 8.830 ( 0.000 -1.043 -0.176) 1.058 8.947 ( 0.000 0.435 -2.028) 2.074 9.009 ( 0.000 -3.691 -1.733) 4.077 9.032 ( 0.000 -1.299 -1.465) 1.958 9.120 ( 0.000 0.336 -1.431) 1.470 9.169 ( 0.000 -1.789 -2.578) 3.138 9.178 ( 0.000 -1.476 -1.389) 2.027 9.283 ( 0.000 -2.448 3.438) 4.220 9.302 ( 0.000 -0.453 -2.638) 2.676 9.345 ( 0.000 -1.912 -2.678) 3.291 9.384 ( 0.000 -0.484 0.031) 0.485 9.463 ( 0.000 -1.407 0.527) 1.502 9.556 ( 0.000 -2.877 2.269) 3.664 9.611 ( 0.000 -0.295 1.568) 1.596 9.676 ( 0.000 1.681 -1.552) 2.288 9.901 ( 0.000 -1.547 4.268) 4.539 9.966 ( 0.000 3.582 4.123) 5.462 10.161 ( 0.000 -0.597 -0.919) 1.096 10.199 ( 0.000 0.279 -0.692) 0.746 10.655 ( 0.000 1.711 1.593) 2.338 10.778 ( 0.000 1.082 -1.068) 1.521 10.805 ( 0.000 -2.588 -1.070) 2.800 10.815 ( 0.000 1.260 -1.410) 1.891 10.908 ( 0.000 1.969 -0.107) 1.972 10.930 ( 0.000 0.649 1.642) 1.766 11.004 ( 0.000 -0.704 1.145) 1.344 11.106 ( 0.000 -0.415 0.437) 0.603 11.293 ( 0.000 0.582 -0.847) 1.027 11.400 ( 0.000 1.040 -2.589) 2.790 11.479 ( 0.000 -0.361 1.673) 1.712 11.593 ( 0.000 -0.176 -1.756) 1.764 11.712 ( 0.000 -0.501 3.869) 3.901 11.772 ( 0.000 0.636 1.290) 1.439 11.820 ( 0.000 1.694 -2.312) 2.867 11.909 ( 0.000 -1.112 -0.508) 1.223 11.972 ( 0.000 -0.612 0.758) 0.974 12.056 ( 0.000 -0.209 0.085) 0.226 12.171 ( 0.000 1.880 -3.386) 3.873 12.225 ( 0.000 1.910 -5.807) 6.113 13.201 ( 0.000 -0.893 2.810) 2.948 13.203 ( 0.000 -0.802 2.661) 2.779 13.355 ( 0.000 0.192 -1.543) 1.555 13.375 ( 0.000 -0.487 -2.022) 2.080 13.517 ( 0.000 -1.037 0.273) 1.072 13.557 ( 0.000 -2.025 1.324) 2.419 13.567 ( 0.000 -1.476 -0.425) 1.536 13.582 ( 0.000 -2.036 -0.107) 2.038 18.264 ( 0.000 -4.112 0.283) 4.122 18.324 ( 0.000 5.330 -1.435) 5.520 18.411 ( 0.000 -7.781 -0.810) 7.823 18.427 ( 0.000 3.076 -0.810) 3.181 18.660 ( 0.000 4.310 2.963) 5.230 18.720 ( 0.000 0.174 4.016) 4.020 18.838 ( 0.000 4.481 -2.295) 5.034 18.871 ( 0.000 0.196 0.345) 0.397 18.999 ( 0.000 2.479 -0.574) 2.545 19.033 ( 0.000 -3.244 5.458) 6.349 19.255 ( 0.000 -5.739 1.167) 5.857 19.358 ( 0.000 0.567 -5.070) 5.102 19.439 ( 0.000 -7.624 2.922) 8.165 19.583 ( 0.000 -9.547 -3.798) 10.275 19.634 ( 0.000 -1.656 -0.858) 1.865 19.759 ( 0.000 3.043 -0.503) 3.085 19.824 ( 0.000 -5.591 2.485) 6.119 19.905 ( 0.000 -5.922 4.288) 7.312 20.171 ( 0.000 -9.438 1.781) 9.604 20.191 ( 0.000 -6.055 1.435) 6.222 20.389 ( 0.000 -0.410 1.234) 1.300 20.486 ( 0.000 1.136 -1.896) 2.210 20.582 ( 0.000 0.099 1.073) 1.077 20.598 ( 0.000 1.877 1.641) 2.493 20.645 ( 0.000 4.785 0.664) 4.831 20.716 ( 0.000 -2.330 0.042) 2.330 20.851 ( 0.000 -4.402 1.156) 4.551 20.925 ( 0.000 1.572 -0.875) 1.799 20.987 ( 0.000 -0.296 -1.524) 1.553 21.021 ( 0.000 4.951 -0.600) 4.987 21.182 ( 0.000 -1.860 0.681) 1.981 21.226 ( 0.000 0.368 -3.890) 3.907 21.403 ( 0.000 -1.549 -0.067) 1.550 21.557 ( 0.000 -2.730 -1.993) 3.380 21.577 ( 0.000 3.933 -4.786) 6.195 21.725 ( 0.000 2.647 -2.550) 3.675 21.994 ( 0.000 -0.001 0.255) 0.255 22.150 ( 0.000 -2.018 0.951) 2.231 22.156 ( 0.000 0.055 -3.009) 3.010 22.224 ( 0.000 -1.531 -0.938) 1.796 22.270 ( 0.000 1.434 -4.164) 4.404 22.285 ( 0.000 -4.184 -2.120) 4.691 22.531 ( 0.000 -4.748 3.275) 5.768 22.564 ( 0.000 0.609 1.252) 1.392 22.648 ( 0.000 -3.612 7.532) 8.353 22.796 ( 0.000 -3.331 4.099) 5.282 22.811 ( 0.000 -1.301 -0.173) 1.312 22.978 ( 0.000 -3.798 -0.847) 3.891 ======================= Grid point 37 (18/30) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -2.842 16.990 -4.361) 17.770 1.305 ( -1.997 17.569 3.231) 17.974 1.344 ( 0.145 14.106 0.560) 14.118 1.517 ( 5.582 7.610 -0.537) 9.453 1.575 ( 1.507 9.180 4.346) 10.268 1.639 ( 1.121 5.949 -1.058) 6.146 1.691 ( 0.342 6.709 1.592) 6.903 1.734 ( -1.468 7.186 1.144) 7.424 1.783 ( 1.221 4.144 -2.202) 4.849 1.824 ( 2.056 3.986 0.755) 4.548 1.864 ( 3.034 1.806 -2.120) 4.118 1.940 ( -1.633 -0.166 -0.218) 1.656 1.947 ( 0.465 0.743 1.188) 1.476 2.010 ( -1.196 -1.166 1.005) 1.950 2.039 ( -1.509 2.385 1.070) 3.018 2.115 ( -0.784 2.994 0.151) 3.099 2.147 ( -0.167 1.548 1.597) 2.230 2.217 ( 0.712 6.513 -0.366) 6.562 2.230 ( -1.420 -0.434 0.698) 1.640 2.290 ( -1.448 0.755 1.016) 1.923 2.314 ( 2.901 1.607 2.518) 4.164 2.359 ( 0.975 3.989 1.800) 4.484 2.386 ( 1.359 -0.870 1.762) 2.389 2.414 ( -2.357 -2.820 -2.594) 4.499 2.440 ( -0.790 0.105 0.993) 1.273 2.481 ( 1.865 -0.474 -0.177) 1.932 2.528 ( 1.556 -0.693 1.337) 2.165 2.553 ( -0.593 1.729 1.160) 2.165 2.578 ( 2.607 -1.199 0.299) 2.885 2.621 ( -2.054 -3.049 1.423) 3.942 2.654 ( -1.380 -2.579 2.267) 3.700 2.675 ( -3.501 -2.136 -0.884) 4.196 2.735 ( 0.955 0.087 0.758) 1.223 2.819 ( -3.073 3.155 1.715) 4.726 2.865 ( -0.962 1.187 0.361) 1.570 2.898 ( -2.674 -1.609 -1.495) 3.461 2.960 ( 2.183 0.888 0.207) 2.366 3.028 ( -3.716 2.599 -1.120) 4.671 3.075 ( 2.985 0.615 -1.322) 3.322 3.122 ( -0.057 1.393 -0.441) 1.463 3.170 ( 1.387 1.166 -0.528) 1.887 3.252 ( 2.430 1.286 0.038) 2.750 3.295 ( -2.042 0.418 1.466) 2.549 3.303 ( -1.998 3.173 -1.376) 3.994 3.386 ( 0.782 5.688 0.861) 5.806 3.426 ( -0.597 2.523 0.880) 2.738 3.535 ( 3.317 1.958 -0.565) 3.893 3.595 ( -1.036 1.015 -2.328) 2.743 3.628 ( 1.448 -1.527 -2.575) 3.325 3.665 ( 3.956 0.674 -2.897) 4.949 3.749 ( -0.309 -1.723 -2.181) 2.797 3.790 ( -2.834 -1.274 -3.431) 4.628 3.856 ( 0.758 1.369 1.085) 1.905 3.912 ( -3.434 0.083 -2.521) 4.261 3.940 ( -0.951 -0.876 -3.817) 4.030 3.966 ( -0.320 -0.526 -1.677) 1.787 4.048 ( 4.068 1.965 1.015) 4.630 4.079 ( 0.793 0.306 -1.398) 1.636 4.115 ( 0.721 5.763 -0.099) 5.808 4.154 ( 0.563 2.941 -1.094) 3.188 4.188 ( -3.224 1.926 1.020) 3.892 4.230 ( -0.557 1.463 1.590) 2.231 4.294 ( -0.956 3.421 -1.570) 3.883 4.324 ( 0.015 3.031 -2.246) 3.773 4.392 ( 0.608 0.616 2.789) 2.921 4.442 ( -0.949 1.364 0.507) 1.737 4.472 ( -0.483 0.006 3.188) 3.224 4.523 ( -1.499 1.421 3.695) 4.233 4.562 ( 2.913 -0.656 0.666) 3.059 4.605 ( -0.159 -0.931 3.704) 3.822 4.731 ( -0.220 1.125 -2.129) 2.417 4.774 ( 2.053 0.530 -2.687) 3.423 4.809 ( 0.966 1.146 1.095) 1.857 4.855 ( -1.890 0.179 -0.154) 1.905 4.894 ( 0.011 1.114 1.043) 1.526 4.966 ( 0.101 -1.883 2.243) 2.930 5.108 ( -0.822 -1.477 -0.176) 1.699 5.126 ( 0.765 -4.174 0.495) 4.272 5.188 ( 0.328 -2.469 -0.639) 2.571 5.211 ( 0.635 -1.731 -4.719) 5.066 5.279 ( 0.200 -6.159 -0.128) 6.164 5.306 ( -1.600 -3.034 0.769) 3.515 5.335 ( 0.635 -2.636 -0.796) 2.826 5.369 ( -1.375 -3.104 0.453) 3.425 5.427 ( -0.102 -2.164 -1.355) 2.555 5.486 ( 2.580 -2.042 -2.671) 4.238 5.516 ( 0.600 -0.620 -2.416) 2.565 5.568 ( -0.493 -0.679 0.442) 0.948 5.634 ( -1.019 -0.594 0.017) 1.179 5.695 ( -0.301 -0.629 2.416) 2.514 5.758 ( 3.552 -0.139 0.348) 3.572 5.819 ( -2.509 -1.158 -0.188) 2.770 6.009 ( -0.753 -0.790 -2.705) 2.917 6.081 ( -0.706 -0.864 1.202) 1.640 6.118 ( 0.491 -0.289 0.469) 0.737 6.156 ( -0.188 0.215 0.706) 0.762 6.586 ( 0.670 -1.344 1.917) 2.435 6.604 ( 0.534 -0.733 2.233) 2.410 6.749 ( -1.265 -0.211 -2.131) 2.487 6.823 ( 0.341 -1.700 -2.138) 2.753 7.043 ( 0.657 1.737 2.883) 3.429 7.169 ( 1.617 -0.436 2.698) 3.175 7.192 ( -0.564 -1.136 1.167) 1.723 7.220 ( -1.053 1.057 -0.936) 1.761 7.325 ( -2.090 -1.491 0.324) 2.588 7.458 ( -1.058 -1.636 4.639) 5.032 7.551 ( 4.741 -0.276 0.551) 4.781 7.623 ( -1.169 -0.265 -2.186) 2.493 7.643 ( -1.553 -1.387 3.152) 3.778 7.679 ( -0.203 -1.146 0.399) 1.230 7.746 ( 2.147 -2.258 1.848) 3.622 7.768 ( 1.078 -3.328 -0.309) 3.512 7.851 ( -2.500 -0.124 -2.713) 3.691 7.968 ( -0.168 -2.071 0.969) 2.293 7.991 ( 2.074 -1.980 -2.450) 3.771 8.042 ( -1.173 -0.839 0.548) 1.542 8.093 ( -0.951 1.296 3.119) 3.509 8.103 ( -1.645 0.788 1.646) 2.457 8.268 ( 3.484 0.032 -0.628) 3.541 8.320 ( -1.089 0.575 -1.649) 2.058 8.761 ( -0.895 0.052 -0.247) 0.930 8.840 ( 0.427 -1.094 2.367) 2.643 8.959 ( 1.150 -0.671 -2.520) 2.850 8.989 ( -1.265 -0.874 -3.773) 4.074 9.041 ( 0.088 -1.976 0.350) 2.009 9.136 ( 1.270 -0.797 -1.350) 2.017 9.170 ( 1.394 -0.738 -3.176) 3.546 9.195 ( -0.099 -0.700 -2.891) 2.976 9.260 ( -0.837 -2.283 2.253) 3.315 9.284 ( -2.483 -0.598 -2.103) 3.308 9.336 ( -0.060 -1.825 -1.079) 2.121 9.368 ( -0.883 -1.438 1.584) 2.315 9.471 ( 0.699 -1.663 0.327) 1.834 9.541 ( -0.932 -2.459 2.468) 3.607 9.644 ( 2.071 0.033 -0.068) 2.073 9.672 ( -0.503 1.107 -1.219) 1.722 9.924 ( 2.284 -0.799 4.679) 5.268 9.965 ( -1.029 1.251 4.520) 4.802 10.158 ( 0.561 0.288 -1.190) 1.347 10.189 ( -1.201 0.684 -0.857) 1.626 10.682 ( 2.706 1.302 1.294) 3.270 10.746 ( -3.247 0.070 0.053) 3.248 10.800 ( -0.441 0.638 -2.253) 2.383 10.827 ( 1.181 1.222 -0.698) 1.837 10.923 ( 2.135 0.838 0.863) 2.450 10.945 ( 0.749 0.306 0.455) 0.928 10.997 ( -1.072 -0.334 0.683) 1.315 11.045 ( -4.194 -0.242 0.949) 4.307 11.313 ( 1.614 1.763 -1.634) 2.895 11.446 ( 2.830 0.294 -3.122) 4.224 11.455 ( -1.545 -0.532 2.098) 2.659 11.563 ( -2.257 -1.365 -0.744) 2.741 11.725 ( 0.877 1.312 2.504) 2.960 11.767 ( -0.428 0.598 1.653) 1.809 11.832 ( 0.766 0.718 -2.023) 2.279 11.893 ( -0.937 -1.009 -0.276) 1.404 11.996 ( 1.914 -0.585 0.871) 2.183 12.034 ( -1.897 -0.257 0.478) 1.973 12.192 ( 1.561 1.743 -4.108) 4.727 12.217 ( -0.893 1.840 -5.323) 5.702 13.197 ( -0.140 -0.799 2.586) 2.710 13.208 ( 0.184 -0.853 2.904) 3.032 13.363 ( 0.589 -0.037 -1.810) 1.904 13.374 ( -0.202 -0.287 -1.927) 1.958 13.516 ( 0.046 -0.982 0.503) 1.104 13.544 ( -0.690 -1.561 1.399) 2.207 13.573 ( 0.224 -1.904 -0.671) 2.031 13.586 ( 0.183 -2.250 -0.019) 2.258 18.283 ( 1.651 -2.863 0.317) 3.320 18.323 ( -0.770 1.122 0.586) 1.481 18.379 ( -0.602 -1.699 -3.132) 3.613 18.457 ( 0.806 0.915 -1.865) 2.228 18.699 ( 3.033 1.840 3.530) 5.004 18.720 ( -0.117 0.184 3.135) 3.143 18.810 ( -1.497 1.899 -0.719) 2.523 18.886 ( 0.171 2.747 -0.223) 2.761 18.965 ( -1.729 1.869 1.694) 3.059 19.036 ( 0.029 -1.653 5.146) 5.405 19.260 ( 0.417 -4.664 -0.345) 4.695 19.373 ( -0.606 -4.374 -1.481) 4.658 19.440 ( 1.911 -5.489 -0.340) 5.823 19.518 ( -3.477 -5.549 -4.914) 8.187 19.641 ( 0.392 -3.992 -0.311) 4.023 19.690 ( -4.617 -1.038 -0.835) 4.805 19.885 ( 4.985 -1.576 4.757) 7.069 19.956 ( 1.167 -3.545 4.758) 6.047 20.154 ( -0.924 -7.425 -0.547) 7.503 20.201 ( 0.438 -7.928 1.245) 8.037 20.415 ( 2.144 -2.148 0.361) 3.056 20.502 ( 1.084 0.446 -1.181) 1.664 20.535 ( -2.760 -0.495 1.342) 3.109 20.608 ( -0.190 1.802 0.946) 2.044 20.675 ( 3.304 1.492 1.367) 3.874 20.748 ( 1.004 0.036 1.089) 1.482 20.806 ( -2.034 0.752 0.000) 2.168 20.877 ( -4.387 1.613 -0.555) 4.707 20.974 ( 0.690 -1.227 -1.445) 2.017 21.065 ( 1.632 0.134 0.673) 1.770 21.148 ( -1.770 -0.082 -3.107) 3.577 21.222 ( -0.842 -0.393 -0.401) 1.012 21.432 ( 3.109 -0.255 -1.098) 3.307 21.503 ( -3.749 -0.538 -2.180) 4.370 21.603 ( 0.963 1.988 -4.584) 5.089 21.725 ( -0.055 2.915 -2.257) 3.687 22.034 ( 3.079 -0.645 -0.083) 3.147 22.124 ( -1.744 -1.445 1.259) 2.591 22.181 ( 1.396 -0.397 -2.611) 2.987 22.208 ( -1.422 -0.745 -1.096) 1.944 22.272 ( 0.574 -0.742 -3.020) 3.162 22.298 ( 0.598 -1.710 -4.950) 5.271 22.458 ( -3.219 -2.260 4.836) 6.233 22.601 ( 0.547 -2.787 -1.031) 3.022 22.670 ( 1.794 -3.662 8.562) 9.484 22.760 ( -1.442 -2.577 5.220) 5.997 22.873 ( 3.806 -2.549 -0.736) 4.640 22.952 ( -2.491 -3.413 -0.585) 4.266 ======================= Grid point 39 (19/30) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.000 7.806 -2.165) 8.101 1.549 ( 0.000 8.940 -3.123) 9.470 1.610 ( 0.000 5.870 -1.497) 6.058 1.638 ( 0.000 6.211 -0.478) 6.230 1.673 ( 0.000 4.897 1.030) 5.004 1.712 ( 0.000 2.221 -1.539) 2.702 1.791 ( 0.000 5.743 0.290) 5.750 1.825 ( 0.000 -3.867 -0.134) 3.869 1.830 ( 0.000 -3.950 -0.734) 4.017 1.855 ( 0.000 6.942 -3.058) 7.586 1.932 ( 0.000 -0.969 3.153) 3.298 1.958 ( 0.000 1.841 0.201) 1.852 2.016 ( 0.000 6.159 1.772) 6.409 2.029 ( 0.000 7.472 0.758) 7.510 2.058 ( 0.000 -1.509 -0.190) 1.521 2.078 ( 0.000 0.762 -0.538) 0.933 2.194 ( 0.000 -4.640 0.360) 4.654 2.215 ( 0.000 -3.373 0.966) 3.508 2.233 ( 0.000 -1.371 1.371) 1.939 2.238 ( 0.000 -3.062 3.263) 4.475 2.285 ( 0.000 -0.935 3.530) 3.652 2.333 ( 0.000 -3.504 3.065) 4.655 2.345 ( 0.000 -1.801 0.512) 1.873 2.432 ( 0.000 1.684 -1.790) 2.458 2.453 ( 0.000 0.099 2.143) 2.145 2.475 ( 0.000 -0.008 1.840) 1.840 2.488 ( 0.000 1.417 0.190) 1.430 2.544 ( 0.000 0.207 2.911) 2.919 2.581 ( 0.000 0.767 0.293) 0.821 2.607 ( 0.000 -4.132 1.785) 4.501 2.613 ( 0.000 0.999 -0.492) 1.113 2.680 ( 0.000 -2.548 0.128) 2.551 2.796 ( 0.000 3.546 0.148) 3.549 2.860 ( 0.000 0.841 0.263) 0.881 2.875 ( 0.000 0.211 0.881) 0.906 2.947 ( 0.000 -2.144 1.602) 2.677 2.957 ( 0.000 -1.376 -2.135) 2.540 3.026 ( 0.000 3.810 -0.032) 3.811 3.084 ( 0.000 -0.731 -1.416) 1.594 3.121 ( 0.000 -3.451 -1.564) 3.789 3.185 ( 0.000 4.767 -1.149) 4.904 3.277 ( 0.000 2.660 -0.685) 2.746 3.353 ( 0.000 -0.211 0.711) 0.742 3.410 ( 0.000 -0.322 -0.173) 0.365 3.474 ( 0.000 1.924 1.855) 2.673 3.479 ( 0.000 2.696 -3.192) 4.179 3.532 ( 0.000 2.436 -0.822) 2.571 3.566 ( 0.000 -0.795 -0.921) 1.217 3.622 ( 0.000 2.436 -0.602) 2.509 3.638 ( 0.000 5.273 -1.702) 5.540 3.750 ( 0.000 -2.717 -1.344) 3.031 3.805 ( 0.000 -0.900 -2.116) 2.299 3.879 ( 0.000 0.534 -1.103) 1.225 3.893 ( 0.000 -1.568 -2.034) 2.568 3.957 ( 0.000 -2.493 -1.305) 2.814 3.961 ( 0.000 1.120 3.602) 3.772 4.048 ( 0.000 2.090 -5.962) 6.318 4.113 ( 0.000 2.278 -0.551) 2.344 4.114 ( 0.000 -6.366 3.975) 7.505 4.162 ( 0.000 0.211 -0.518) 0.559 4.259 ( 0.000 4.858 0.100) 4.859 4.304 ( 0.000 1.333 -1.724) 2.180 4.323 ( 0.000 -1.507 -0.018) 1.507 4.398 ( 0.000 2.621 -1.605) 3.073 4.439 ( 0.000 0.339 4.554) 4.566 4.453 ( 0.000 0.738 5.604) 5.653 4.478 ( 0.000 4.993 0.121) 4.994 4.527 ( 0.000 1.278 0.077) 1.280 4.579 ( 0.000 -1.257 -0.756) 1.467 4.639 ( 0.000 -3.137 1.923) 3.680 4.649 ( 0.000 1.519 2.713) 3.110 4.690 ( 0.000 -2.659 3.425) 4.336 4.848 ( 0.000 0.323 -2.164) 2.188 4.923 ( 0.000 0.416 -0.364) 0.553 4.948 ( 0.000 2.663 1.166) 2.907 4.977 ( 0.000 1.753 3.427) 3.849 5.064 ( 0.000 -0.683 -0.215) 0.716 5.069 ( 0.000 -0.047 -2.846) 2.846 5.101 ( 0.000 0.454 1.136) 1.223 5.138 ( 0.000 -5.374 -2.781) 6.051 5.224 ( 0.000 -5.728 -2.413) 6.216 5.270 ( 0.000 1.837 -4.485) 4.847 5.307 ( 0.000 -2.500 1.949) 3.170 5.331 ( 0.000 -1.693 0.463) 1.756 5.378 ( 0.000 -1.548 -3.354) 3.694 5.454 ( 0.000 1.226 -1.142) 1.675 5.462 ( 0.000 -0.829 -3.162) 3.269 5.576 ( 0.000 0.090 -4.844) 4.845 5.632 ( 0.000 0.111 1.320) 1.324 5.705 ( 0.000 -0.227 1.217) 1.238 5.731 ( 0.000 1.853 -0.017) 1.853 5.794 ( 0.000 -3.582 -0.978) 3.713 6.044 ( 0.000 2.831 0.603) 2.895 6.074 ( 0.000 -0.366 0.998) 1.063 6.115 ( 0.000 -3.126 1.837) 3.625 6.118 ( 0.000 -0.405 1.866) 1.910 6.533 ( 0.000 -0.856 2.657) 2.791 6.619 ( 0.000 0.780 2.400) 2.523 6.732 ( 0.000 -1.527 -0.523) 1.615 6.804 ( 0.000 -0.082 -4.152) 4.153 7.109 ( 0.000 -0.294 1.322) 1.354 7.118 ( 0.000 4.451 2.650) 5.180 7.187 ( 0.000 -1.321 -0.079) 1.324 7.246 ( 0.000 -2.673 -0.719) 2.768 7.363 ( 0.000 2.554 1.946) 3.211 7.437 ( 0.000 -3.260 4.128) 5.260 7.471 ( 0.000 0.322 -0.578) 0.661 7.603 ( 0.000 -1.658 -0.348) 1.694 7.617 ( 0.000 -0.892 0.287) 0.937 7.668 ( 0.000 0.378 3.503) 3.524 7.702 ( 0.000 -0.982 0.739) 1.229 7.723 ( 0.000 -0.126 -3.029) 3.032 7.873 ( 0.000 -0.572 1.778) 1.868 7.884 ( 0.000 -1.661 -1.727) 2.396 7.933 ( 0.000 -2.252 -2.411) 3.299 8.053 ( 0.000 -0.472 -1.499) 1.572 8.147 ( 0.000 1.889 1.824) 2.626 8.185 ( 0.000 -1.535 0.478) 1.608 8.208 ( 0.000 3.413 -0.373) 3.433 8.322 ( 0.000 -0.648 -2.027) 2.128 8.800 ( 0.000 1.025 2.781) 2.964 8.804 ( 0.000 -0.990 -3.368) 3.510 8.943 ( 0.000 -2.148 -3.809) 4.372 8.971 ( 0.000 1.003 -2.401) 2.602 9.028 ( 0.000 0.740 0.816) 1.102 9.127 ( 0.000 0.400 -0.560) 0.688 9.131 ( 0.000 -1.577 -0.292) 1.604 9.150 ( 0.000 -1.067 0.927) 1.413 9.235 ( 0.000 -1.649 2.955) 3.384 9.280 ( 0.000 -0.882 -0.787) 1.182 9.336 ( 0.000 0.199 -5.662) 5.666 9.370 ( 0.000 -0.660 -2.101) 2.202 9.464 ( 0.000 1.239 3.345) 3.567 9.502 ( 0.000 -2.320 3.380) 4.100 9.604 ( 0.000 -0.228 1.629) 1.644 9.702 ( 0.000 0.788 -2.058) 2.203 9.873 ( 0.000 -0.906 4.571) 4.660 10.021 ( 0.000 1.616 4.166) 4.468 10.139 ( 0.000 -1.101 -1.715) 2.038 10.201 ( 0.000 0.012 -0.275) 0.275 10.683 ( 0.000 0.814 1.202) 1.452 10.766 ( 0.000 -1.113 0.048) 1.114 10.790 ( 0.000 0.185 -1.730) 1.740 10.830 ( 0.000 0.409 -1.498) 1.553 10.943 ( 0.000 1.051 0.736) 1.283 10.950 ( 0.000 1.496 2.144) 2.614 10.984 ( 0.000 -1.504 1.798) 2.344 11.096 ( 0.000 -0.436 0.810) 0.920 11.306 ( 0.000 0.439 0.373) 0.576 11.418 ( 0.000 0.527 -1.544) 1.632 11.462 ( 0.000 -0.737 0.377) 0.827 11.591 ( 0.000 -0.017 -2.800) 2.800 11.707 ( 0.000 -0.085 3.379) 3.380 11.792 ( 0.000 0.822 1.288) 1.528 11.845 ( 0.000 0.900 -1.503) 1.752 11.887 ( 0.000 -1.005 -1.429) 1.747 11.964 ( 0.000 -0.200 1.492) 1.505 12.057 ( 0.000 0.157 -0.003) 0.157 12.197 ( 0.000 0.618 -4.269) 4.313 12.250 ( 0.000 0.599 -5.587) 5.619 13.186 ( 0.000 -0.447 3.162) 3.193 13.194 ( 0.000 -0.153 2.886) 2.890 13.359 ( 0.000 0.130 -1.617) 1.623 13.365 ( 0.000 -0.364 -1.709) 1.747 13.506 ( 0.000 -0.088 0.597) 0.604 13.525 ( 0.000 -0.995 0.652) 1.189 13.546 ( 0.000 -0.458 -0.400) 0.608 13.551 ( 0.000 -0.892 -0.089) 0.896 18.212 ( 0.000 -0.858 3.084) 3.201 18.282 ( 0.000 -3.960 1.741) 4.326 18.420 ( 0.000 3.299 -3.921) 5.124 18.486 ( 0.000 2.091 -2.379) 3.167 18.677 ( 0.000 -2.856 6.248) 6.870 18.742 ( 0.000 2.685 1.831) 3.250 18.869 ( 0.000 0.000 -2.101) 2.101 18.899 ( 0.000 1.213 -0.901) 1.511 19.007 ( 0.000 0.123 2.534) 2.537 19.120 ( 0.000 7.578 -1.129) 7.662 19.203 ( 0.000 1.042 1.387) 1.735 19.300 ( 0.000 -5.911 1.398) 6.074 19.328 ( 0.000 -5.234 -6.992) 8.734 19.420 ( 0.000 -5.078 -0.642) 5.118 19.561 ( 0.000 -1.318 -1.036) 1.677 19.760 ( 0.000 -0.894 -5.899) 5.966 19.806 ( 0.000 -3.052 3.410) 4.576 19.825 ( 0.000 1.268 1.253) 1.782 20.037 ( 0.000 -3.131 3.435) 4.648 20.090 ( 0.000 -2.968 2.167) 3.675 20.394 ( 0.000 0.991 3.238) 3.387 20.518 ( 0.000 1.422 0.009) 1.422 20.526 ( 0.000 -3.615 3.519) 5.045 20.594 ( 0.000 -0.936 1.423) 1.703 20.748 ( 0.000 3.083 -0.792) 3.183 20.749 ( 0.000 3.756 -0.538) 3.795 20.785 ( 0.000 -1.498 0.599) 1.613 20.912 ( 0.000 -2.929 0.023) 2.929 20.988 ( 0.000 0.712 -2.117) 2.234 21.103 ( 0.000 2.897 -2.098) 3.577 21.170 ( 0.000 0.117 -1.217) 1.223 21.202 ( 0.000 -1.934 -1.425) 2.402 21.398 ( 0.000 0.576 0.707) 0.912 21.506 ( 0.000 -1.852 -0.045) 1.852 21.656 ( 0.000 3.532 -7.263) 8.076 21.728 ( 0.000 -1.863 -6.962) 7.207 22.037 ( 0.000 3.402 2.847) 4.436 22.108 ( 0.000 -2.885 3.263) 4.356 22.148 ( 0.000 0.064 -0.852) 0.854 22.172 ( 0.000 -2.256 -0.185) 2.264 22.241 ( 0.000 0.128 -0.097) 0.160 22.345 ( 0.000 3.686 -3.692) 5.217 22.437 ( 0.000 -3.645 2.724) 4.551 22.523 ( 0.000 -3.216 -0.758) 3.304 22.640 ( 0.000 1.682 5.395) 5.651 22.729 ( 0.000 -2.775 4.351) 5.160 22.801 ( 0.000 0.178 -0.558) 0.586 22.910 ( 0.000 -2.311 -0.985) 2.512 ======================= Grid point 40 (20/30) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.059 12.741 -3.660) 13.257 1.563 ( 1.743 6.833 -2.064) 7.348 1.602 ( -0.992 6.787 -0.052) 6.860 1.658 ( 1.689 5.384 -1.119) 5.753 1.690 ( 1.331 1.865 -0.054) 2.291 1.705 ( -1.815 2.856 -1.378) 3.654 1.786 ( -0.164 1.794 -0.065) 1.802 1.790 ( -0.565 -2.144 -0.937) 2.407 1.847 ( 0.669 -3.052 -1.652) 3.534 1.890 ( 1.759 5.550 0.607) 5.853 1.932 ( -1.051 0.223 1.136) 1.563 1.959 ( 0.262 4.501 1.614) 4.789 2.007 ( -0.550 2.864 3.338) 4.432 2.033 ( 0.493 4.379 1.889) 4.795 2.073 ( 1.024 2.761 -1.005) 3.111 2.116 ( 3.911 0.664 -1.230) 4.153 2.173 ( -1.650 -0.825 1.702) 2.510 2.191 ( -0.942 -3.985 0.489) 4.124 2.236 ( 0.229 -3.565 0.717) 3.644 2.279 ( 1.198 0.556 2.803) 3.098 2.301 ( -0.588 -3.528 2.185) 4.191 2.318 ( -0.071 -0.224 1.716) 1.732 2.356 ( -0.201 -2.094 -0.764) 2.238 2.401 ( -0.321 -4.572 1.373) 4.784 2.426 ( 0.074 0.518 3.165) 3.208 2.492 ( -0.947 0.594 -1.398) 1.789 2.510 ( -0.961 0.220 2.568) 2.751 2.522 ( 0.596 -1.414 0.104) 1.538 2.561 ( -1.043 -0.135 0.664) 1.244 2.601 ( 0.112 1.824 1.351) 2.272 2.617 ( 0.404 -1.432 0.855) 1.716 2.660 ( -3.107 -2.014 -0.188) 3.707 2.770 ( 1.177 1.688 0.929) 2.257 2.820 ( -3.325 -1.486 0.543) 3.682 2.882 ( 0.469 1.753 -0.287) 1.838 2.918 ( -1.942 0.431 1.156) 2.301 3.009 ( 3.513 1.545 -1.355) 4.070 3.053 ( 0.630 -1.009 -0.697) 1.379 3.086 ( 0.336 1.400 -0.863) 1.679 3.130 ( 0.306 -1.250 -0.132) 1.294 3.242 ( 4.764 5.858 -1.047) 7.623 3.301 ( 1.542 3.417 -0.585) 3.794 3.334 ( -1.503 2.494 0.512) 2.956 3.376 ( -4.484 4.669 -0.323) 6.481 3.441 ( -0.061 -0.114 -0.708) 0.720 3.458 ( -0.313 -0.900 -0.937) 1.336 3.552 ( 0.386 -1.899 -3.063) 3.624 3.587 ( 0.674 -1.772 0.400) 1.937 3.630 ( 1.963 3.799 -1.014) 4.395 3.674 ( 1.131 -0.527 -0.980) 1.587 3.717 ( -2.322 -0.586 -0.841) 2.538 3.756 ( -3.089 -1.714 -2.242) 4.184 3.847 ( 0.280 -2.406 0.418) 2.458 3.893 ( -3.395 -0.240 -0.864) 3.511 3.936 ( 0.705 0.942 -0.750) 1.395 3.969 ( -1.029 -0.538 -2.247) 2.530 4.075 ( 1.652 0.786 -1.904) 2.640 4.094 ( -0.559 0.601 -0.695) 1.075 4.123 ( 0.962 -0.793 1.424) 1.893 4.166 ( 0.000 -0.685 1.533) 1.679 4.275 ( 1.576 4.224 -0.163) 4.511 4.314 ( -0.386 1.823 -0.295) 1.887 4.346 ( 1.698 1.612 -0.650) 2.430 4.376 ( -1.329 3.144 -1.382) 3.682 4.432 ( 0.495 -0.231 1.796) 1.877 4.473 ( -0.302 1.076 1.910) 2.213 4.492 ( 0.928 1.607 2.565) 3.166 4.536 ( 0.496 0.911 1.009) 1.447 4.563 ( -0.226 1.524 3.080) 3.444 4.599 ( -1.430 0.324 1.535) 2.123 4.687 ( 1.629 -2.816 1.086) 3.429 4.713 ( 0.882 -3.726 3.110) 4.933 4.838 ( 0.187 0.326 -0.792) 0.877 4.889 ( -3.942 0.518 1.936) 4.422 4.948 ( 0.898 3.250 -1.032) 3.527 4.977 ( 0.599 1.666 1.364) 2.235 5.056 ( 0.427 -1.096 -2.276) 2.562 5.096 ( 0.435 -0.849 -1.329) 1.636 5.119 ( 1.255 -2.263 0.676) 2.675 5.163 ( 1.535 -2.085 -1.217) 2.861 5.209 ( -0.531 -1.424 -3.578) 3.887 5.257 ( -3.761 -1.641 0.711) 4.165 5.283 ( 1.522 -1.601 -1.997) 2.978 5.318 ( -1.482 -1.560 0.699) 2.262 5.382 ( -0.505 -0.906 -2.224) 2.454 5.425 ( 0.468 -3.682 -2.389) 4.414 5.531 ( 2.681 1.529 -3.575) 4.723 5.568 ( -0.184 0.180 -4.396) 4.404 5.643 ( 0.441 1.057 0.574) 1.281 5.680 ( -1.085 -0.889 1.502) 2.055 5.759 ( 1.611 0.444 -0.260) 1.691 5.787 ( -0.766 -2.020 -0.608) 2.244 6.023 ( -1.312 2.397 1.103) 2.947 6.064 ( -1.326 -0.902 2.102) 2.644 6.102 ( 0.939 -1.074 1.382) 1.986 6.132 ( -0.325 -1.836 1.328) 2.289 6.562 ( 2.425 -0.575 2.625) 3.620 6.602 ( -1.507 -0.006 2.587) 2.994 6.753 ( 1.301 0.499 -2.178) 2.585 6.797 ( -0.612 -0.871 -3.217) 3.389 7.072 ( -0.319 1.053 1.797) 2.108 7.132 ( -3.016 -2.325 1.140) 3.975 7.198 ( 3.718 1.815 0.505) 4.168 7.254 ( -0.389 -0.038 -1.131) 1.197 7.326 ( -2.221 2.781 3.623) 5.079 7.406 ( -1.415 -3.695 5.631) 6.882 7.534 ( 3.697 -0.379 -1.694) 4.084 7.590 ( -0.899 -1.798 -1.221) 2.352 7.640 ( 1.084 0.346 0.136) 1.146 7.669 ( -0.276 -0.265 0.082) 0.392 7.709 ( 0.758 -0.915 1.825) 2.177 7.722 ( -0.397 -1.154 -0.855) 1.490 7.852 ( -0.816 0.975 -1.034) 1.639 7.900 ( 0.603 -3.421 0.903) 3.589 7.950 ( 2.159 -1.224 -2.933) 3.842 8.014 ( -3.640 -1.141 -2.115) 4.362 8.127 ( -0.394 1.347 2.397) 2.778 8.144 ( -1.829 1.289 2.055) 3.038 8.281 ( 3.688 0.920 -1.118) 3.962 8.324 ( -0.495 -0.143 -1.851) 1.922 8.773 ( -1.145 1.145 -0.909) 1.857 8.806 ( -0.352 -1.931 -0.010) 1.963 8.952 ( 0.943 0.080 -2.208) 2.402 8.982 ( 0.036 -0.372 -2.653) 2.679 9.039 ( 0.565 1.661 0.763) 1.913 9.099 ( -0.300 -2.291 -0.679) 2.409 9.165 ( 2.385 0.120 -0.751) 2.504 9.179 ( 0.979 -0.776 0.146) 1.258 9.224 ( 0.167 -1.010 1.679) 1.967 9.280 ( -3.713 0.227 -2.914) 4.725 9.302 ( 0.997 -1.353 -1.105) 2.011 9.342 ( -2.356 -0.804 -1.562) 2.938 9.465 ( 0.078 0.838 3.104) 3.216 9.495 ( -0.463 -1.927 3.491) 4.015 9.641 ( 2.900 -0.154 -0.119) 2.906 9.688 ( -1.607 0.392 -1.697) 2.370 9.907 ( 3.346 -0.554 4.708) 5.802 9.981 ( -3.688 0.355 4.594) 5.901 10.157 ( 1.814 -0.140 -1.567) 2.402 10.193 ( -1.109 -0.096 -0.749) 1.341 10.698 ( 1.567 0.338 0.891) 1.834 10.736 ( -2.102 -0.499 0.135) 2.164 10.815 ( 1.297 0.647 -2.152) 2.594 10.842 ( 0.580 0.091 -2.057) 2.139 10.943 ( 0.397 0.895 1.850) 2.093 10.957 ( 0.245 0.552 2.297) 2.375 10.985 ( 1.068 -0.590 1.585) 2.000 11.046 ( -4.181 0.133 1.279) 4.374 11.342 ( 3.120 0.911 -0.110) 3.252 11.428 ( -2.928 -1.204 0.583) 3.219 11.457 ( 3.354 0.390 -1.717) 3.788 11.542 ( -3.879 -0.573 -1.565) 4.222 11.745 ( 2.781 0.492 1.980) 3.449 11.786 ( -0.995 0.821 1.317) 1.844 11.845 ( 0.076 0.611 -1.483) 1.606 11.870 ( -1.115 -1.045 -1.080) 1.871 11.990 ( 2.212 -0.098 1.050) 2.451 12.034 ( -2.097 0.095 0.359) 2.130 12.216 ( 1.495 0.600 -4.612) 4.885 12.241 ( -0.962 0.564 -5.269) 5.386 13.187 ( 0.058 -0.178 3.009) 3.015 13.193 ( -0.036 -0.457 3.057) 3.092 13.362 ( 0.202 0.035 -1.762) 1.774 13.366 ( 0.098 -0.330 -1.684) 1.719 13.506 ( 0.111 -0.032 0.590) 0.601 13.519 ( -0.428 -0.832 0.799) 1.230 13.548 ( 0.065 -0.531 -0.405) 0.671 13.552 ( 0.043 -0.965 -0.133) 0.975 18.226 ( 1.318 -1.362 2.673) 3.277 18.262 ( -1.657 -3.028 2.255) 4.123 18.442 ( 1.545 3.664 -4.053) 5.677 18.492 ( 0.218 0.886 -3.164) 3.292 18.694 ( 1.560 -1.220 5.537) 5.880 18.733 ( -1.057 0.894 3.399) 3.670 18.858 ( -0.599 1.957 -1.398) 2.478 18.898 ( -0.216 -0.948 -0.481) 1.085 19.017 ( 1.757 1.960 1.315) 2.943 19.084 ( -3.217 4.547 -0.062) 5.570 19.211 ( 0.792 0.264 0.634) 1.048 19.279 ( -2.035 -4.629 0.277) 5.064 19.334 ( 0.611 -3.984 -3.732) 5.493 19.390 ( -1.561 -5.873 -2.643) 6.627 19.585 ( 2.160 1.101 -2.170) 3.254 19.683 ( -3.666 -1.345 -2.828) 4.821 19.884 ( 5.237 0.556 2.760) 5.945 19.924 ( 4.915 -0.068 1.048) 5.026 20.010 ( -1.269 -5.128 2.231) 5.734 20.065 ( -3.034 -4.085 0.900) 5.167 20.397 ( 0.430 0.785 3.425) 3.540 20.470 ( -3.176 -3.552 4.910) 6.842 20.538 ( 1.243 1.727 -0.443) 2.173 20.597 ( -0.282 -1.806 1.546) 2.394 20.736 ( -0.306 3.462 -0.689) 3.543 20.771 ( 0.312 0.525 0.828) 1.029 20.834 ( 5.025 1.576 -1.923) 5.606 20.918 ( -1.359 0.149 -2.228) 2.614 20.957 ( -0.641 0.445 0.202) 0.806 21.050 ( -5.406 -0.525 1.381) 5.605 21.145 ( 1.005 -0.263 -3.182) 3.348 21.201 ( -1.359 -1.392 -1.800) 2.650 21.436 ( 2.577 0.799 0.184) 2.704 21.488 ( -1.528 -0.971 0.158) 1.818 21.668 ( 0.699 3.647 -7.423) 8.300 21.732 ( 0.294 -1.875 -7.137) 7.385 22.055 ( 1.465 1.974 3.193) 4.029 22.094 ( -1.171 -1.527 2.992) 3.558 22.157 ( 0.377 -0.832 -0.841) 1.241 22.168 ( 0.092 -1.857 -0.749) 2.005 22.269 ( 1.904 1.516 0.060) 2.434 22.365 ( 1.461 4.197 -2.901) 5.307 22.387 ( -2.971 -3.240 2.321) 4.971 22.512 ( -1.552 -4.800 -1.303) 5.210 22.654 ( 1.469 0.983 5.726) 5.992 22.710 ( -1.368 -2.127 4.933) 5.544 22.839 ( 2.798 -0.646 -0.894) 3.007 22.891 ( -1.790 -2.032 -0.853) 2.840 ======================= Grid point 54 (21/30) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 0.000 16.246) 16.246 0.806 ( 0.000 0.000 22.468) 22.468 0.811 ( 0.000 0.000 -14.376) 14.376 1.167 ( 0.000 0.000 -14.106) 14.106 1.311 ( 0.000 0.000 25.974) 25.974 1.392 ( 0.000 0.000 12.678) 12.678 1.446 ( 0.000 0.000 2.807) 2.807 1.504 ( 0.000 0.000 2.028) 2.028 1.510 ( 0.000 0.000 8.274) 8.274 1.661 ( 0.000 0.000 -2.565) 2.565 1.735 ( 0.000 0.000 -4.395) 4.395 1.750 ( 0.000 0.000 -1.662) 1.662 1.777 ( 0.000 0.000 1.004) 1.004 1.848 ( 0.000 0.000 4.696) 4.696 1.870 ( 0.000 0.000 -18.659) 18.659 2.009 ( 0.000 0.000 4.225) 4.225 2.039 ( 0.000 0.000 4.182) 4.182 2.051 ( 0.000 0.000 -13.483) 13.483 2.100 ( 0.000 0.000 -2.007) 2.007 2.145 ( 0.000 0.000 -6.589) 6.589 2.193 ( 0.000 0.000 8.626) 8.626 2.258 ( 0.000 0.000 7.715) 7.715 2.305 ( 0.000 0.000 -0.801) 0.801 2.387 ( 0.000 0.000 -3.563) 3.563 2.414 ( 0.000 0.000 -1.282) 1.282 2.435 ( 0.000 0.000 -8.092) 8.092 2.448 ( 0.000 0.000 5.198) 5.198 2.506 ( 0.000 0.000 -3.272) 3.272 2.564 ( 0.000 0.000 5.020) 5.020 2.675 ( 0.000 0.000 -5.628) 5.628 2.697 ( 0.000 0.000 1.091) 1.091 2.717 ( 0.000 0.000 2.970) 2.970 2.740 ( 0.000 0.000 -0.270) 0.270 2.759 ( 0.000 0.000 -5.269) 5.269 2.866 ( 0.000 0.000 2.272) 2.272 2.913 ( 0.000 0.000 2.579) 2.579 2.939 ( 0.000 0.000 -3.930) 3.930 2.944 ( 0.000 0.000 0.751) 0.751 3.028 ( 0.000 0.000 2.153) 2.153 3.050 ( 0.000 0.000 -1.410) 1.410 3.139 ( 0.000 0.000 0.734) 0.734 3.150 ( 0.000 0.000 4.863) 4.863 3.217 ( 0.000 0.000 -6.692) 6.692 3.291 ( 0.000 0.000 -8.448) 8.448 3.318 ( 0.000 0.000 -0.552) 0.552 3.348 ( 0.000 0.000 -2.864) 2.864 3.486 ( 0.000 0.000 4.026) 4.026 3.511 ( 0.000 0.000 3.577) 3.577 3.540 ( 0.000 0.000 0.062) 0.062 3.600 ( 0.000 0.000 -6.393) 6.393 3.625 ( 0.000 0.000 1.376) 1.376 3.625 ( 0.000 0.000 1.603) 1.603 3.785 ( 0.000 0.000 0.772) 0.772 3.791 ( 0.000 0.000 -3.160) 3.160 3.797 ( 0.000 0.000 -2.742) 2.742 3.839 ( 0.000 0.000 -4.659) 4.659 3.972 ( 0.000 0.000 0.481) 0.481 3.995 ( 0.000 0.000 -2.066) 2.066 4.111 ( 0.000 0.000 0.573) 0.573 4.144 ( 0.000 0.000 -1.864) 1.864 4.215 ( 0.000 0.000 5.847) 5.847 4.244 ( 0.000 0.000 2.837) 2.837 4.283 ( 0.000 0.000 -1.341) 1.341 4.323 ( 0.000 0.000 -4.733) 4.733 4.407 ( 0.000 0.000 1.796) 1.796 4.432 ( 0.000 0.000 2.924) 2.924 4.441 ( 0.000 0.000 -1.792) 1.792 4.502 ( 0.000 0.000 -4.678) 4.678 4.618 ( 0.000 0.000 6.802) 6.802 4.668 ( 0.000 0.000 2.539) 2.539 4.670 ( 0.000 0.000 1.728) 1.728 4.694 ( 0.000 0.000 -1.241) 1.241 4.907 ( 0.000 0.000 4.563) 4.563 4.980 ( 0.000 0.000 2.548) 2.548 4.981 ( 0.000 0.000 -3.411) 3.411 5.005 ( 0.000 0.000 -0.935) 0.935 5.205 ( 0.000 0.000 7.780) 7.780 5.221 ( 0.000 0.000 4.653) 4.653 5.274 ( 0.000 0.000 -0.273) 0.273 5.369 ( 0.000 0.000 6.265) 6.265 5.374 ( 0.000 0.000 -8.767) 8.767 5.387 ( 0.000 0.000 -0.124) 0.124 5.388 ( 0.000 0.000 0.054) 0.054 5.452 ( 0.000 0.000 -3.667) 3.667 5.595 ( 0.000 0.000 1.578) 1.578 5.621 ( 0.000 0.000 -2.051) 2.051 5.635 ( 0.000 0.000 -1.435) 1.435 5.647 ( 0.000 0.000 -1.081) 1.081 5.750 ( 0.000 0.000 0.443) 0.443 5.754 ( 0.000 0.000 -1.834) 1.834 5.769 ( 0.000 0.000 -0.712) 0.712 5.770 ( 0.000 0.000 -2.068) 2.068 5.941 ( 0.000 0.000 2.479) 2.479 5.977 ( 0.000 0.000 -1.559) 1.559 6.042 ( 0.000 0.000 0.352) 0.352 6.070 ( 0.000 0.000 -3.069) 3.069 6.577 ( 0.000 0.000 3.819) 3.819 6.691 ( 0.000 0.000 -8.535) 8.535 6.862 ( 0.000 0.000 -0.482) 0.482 6.864 ( 0.000 0.000 -0.805) 0.805 7.018 ( 0.000 0.000 3.268) 3.268 7.090 ( 0.000 0.000 -3.612) 3.612 7.271 ( 0.000 0.000 0.450) 0.450 7.272 ( 0.000 0.000 0.539) 0.539 7.414 ( 0.000 0.000 8.781) 8.781 7.536 ( 0.000 0.000 -3.066) 3.066 7.551 ( 0.000 0.000 1.193) 1.193 7.583 ( 0.000 0.000 -1.667) 1.667 7.733 ( 0.000 0.000 5.579) 5.579 7.841 ( 0.000 0.000 -3.786) 3.786 7.848 ( 0.000 0.000 2.208) 2.208 7.880 ( 0.000 0.000 -1.967) 1.967 7.933 ( 0.000 0.000 1.972) 1.972 7.941 ( 0.000 0.000 -0.860) 0.860 7.997 ( 0.000 0.000 4.198) 4.198 8.065 ( 0.000 0.000 -2.963) 2.963 8.205 ( 0.000 0.000 -1.239) 1.239 8.218 ( 0.000 0.000 -2.247) 2.247 8.267 ( 0.000 0.000 -0.756) 0.756 8.269 ( 0.000 0.000 -1.052) 1.052 8.830 ( 0.000 0.000 3.725) 3.725 8.878 ( 0.000 0.000 -1.420) 1.420 8.913 ( 0.000 0.000 4.924) 4.924 8.967 ( 0.000 0.000 -0.573) 0.573 9.098 ( 0.000 0.000 1.268) 1.268 9.130 ( 0.000 0.000 -2.654) 2.654 9.195 ( 0.000 0.000 5.132) 5.132 9.243 ( 0.000 0.000 -0.159) 0.159 9.405 ( 0.000 0.000 1.117) 1.117 9.410 ( 0.000 0.000 2.366) 2.366 9.430 ( 0.000 0.000 -0.609) 0.609 9.433 ( 0.000 0.000 -0.853) 0.853 9.520 ( 0.000 0.000 -1.906) 1.906 9.543 ( 0.000 0.000 1.414) 1.414 9.543 ( 0.000 0.000 -3.619) 3.619 9.593 ( 0.000 0.000 -2.659) 2.659 9.902 ( 0.000 0.000 3.014) 3.014 9.962 ( 0.000 0.000 -3.317) 3.317 10.091 ( 0.000 0.000 1.788) 1.788 10.118 ( 0.000 0.000 -1.255) 1.255 10.626 ( 0.000 0.000 3.937) 3.937 10.634 ( 0.000 0.000 3.055) 3.055 10.689 ( 0.000 0.000 -2.710) 2.710 10.729 ( 0.000 0.000 -6.920) 6.920 10.929 ( 0.000 0.000 3.102) 3.102 10.994 ( 0.000 0.000 -3.767) 3.767 11.115 ( 0.000 0.000 2.261) 2.261 11.153 ( 0.000 0.000 -1.049) 1.049 11.272 ( 0.000 0.000 -0.878) 0.878 11.275 ( 0.000 0.000 -0.422) 0.422 11.347 ( 0.000 0.000 2.928) 2.928 11.392 ( 0.000 0.000 -1.822) 1.822 11.792 ( 0.000 0.000 0.538) 0.538 11.800 ( 0.000 0.000 3.877) 3.877 11.807 ( 0.000 0.000 -1.288) 1.288 11.875 ( 0.000 0.000 -4.217) 4.217 12.073 ( 0.000 0.000 2.061) 2.061 12.096 ( 0.000 0.000 0.985) 0.985 12.101 ( 0.000 0.000 -0.974) 0.974 12.107 ( 0.000 0.000 -0.157) 0.157 13.249 ( 0.000 0.000 1.613) 1.613 13.276 ( 0.000 0.000 -1.189) 1.189 13.300 ( 0.000 0.000 2.200) 2.200 13.337 ( 0.000 0.000 -1.666) 1.666 13.621 ( 0.000 0.000 1.986) 1.986 13.655 ( 0.000 0.000 0.705) 0.705 13.658 ( 0.000 0.000 -1.960) 1.960 13.671 ( 0.000 0.000 -0.905) 0.905 18.333 ( 0.000 0.000 6.776) 6.776 18.461 ( 0.000 0.000 -5.548) 5.548 18.478 ( 0.000 0.000 4.017) 4.017 18.521 ( 0.000 0.000 -0.199) 0.199 18.581 ( 0.000 0.000 3.506) 3.506 18.669 ( 0.000 0.000 -4.702) 4.702 18.785 ( 0.000 0.000 -2.590) 2.590 18.788 ( 0.000 0.000 -2.504) 2.504 19.348 ( 0.000 0.000 2.571) 2.571 19.374 ( 0.000 0.000 -0.342) 0.342 19.535 ( 0.000 0.000 6.581) 6.581 19.650 ( 0.000 0.000 -6.016) 6.016 19.817 ( 0.000 0.000 8.727) 8.727 19.823 ( 0.000 0.000 1.377) 1.377 19.831 ( 0.000 0.000 0.602) 0.602 19.945 ( 0.000 0.000 -4.127) 4.127 20.014 ( 0.000 0.000 -0.702) 0.702 20.036 ( 0.000 0.000 -2.764) 2.764 20.225 ( 0.000 0.000 1.381) 1.381 20.293 ( 0.000 0.000 -5.340) 5.340 20.407 ( 0.000 0.000 4.947) 4.947 20.481 ( 0.000 0.000 4.102) 4.102 20.502 ( 0.000 0.000 -5.169) 5.169 20.571 ( 0.000 0.000 -3.875) 3.875 20.618 ( 0.000 0.000 0.821) 0.821 20.664 ( 0.000 0.000 -3.971) 3.971 20.746 ( 0.000 0.000 3.162) 3.162 20.801 ( 0.000 0.000 -2.594) 2.594 21.077 ( 0.000 0.000 1.539) 1.539 21.100 ( 0.000 0.000 -1.118) 1.118 21.227 ( 0.000 0.000 3.140) 3.140 21.276 ( 0.000 0.000 -2.115) 2.115 21.486 ( 0.000 0.000 2.060) 2.060 21.509 ( 0.000 0.000 5.555) 5.555 21.550 ( 0.000 0.000 -4.914) 4.914 21.616 ( 0.000 0.000 -6.434) 6.434 22.150 ( 0.000 0.000 3.455) 3.455 22.170 ( 0.000 0.000 0.934) 0.934 22.300 ( 0.000 0.000 2.807) 2.807 22.347 ( 0.000 0.000 -2.290) 2.290 22.390 ( 0.000 0.000 3.907) 3.907 22.391 ( 0.000 0.000 3.472) 3.472 22.454 ( 0.000 0.000 -3.050) 3.050 22.499 ( 0.000 0.000 -8.079) 8.079 22.990 ( 0.000 0.000 2.594) 2.594 23.006 ( 0.000 0.000 0.946) 0.946 23.057 ( 0.000 0.000 1.407) 1.407 23.078 ( 0.000 0.000 -0.870) 0.870 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 23.083 0.000 8.385) 24.558 0.903 ( 8.861 0.000 18.232) 20.271 0.994 ( 13.760 0.000 -6.951) 15.416 1.179 ( -2.519 0.000 -6.356) 6.837 1.207 ( -8.146 0.000 11.835) 14.367 1.337 ( -4.700 0.000 6.137) 7.730 1.381 ( 0.262 0.000 23.831) 23.832 1.404 ( -14.568 0.000 -0.749) 14.587 1.439 ( -5.901 0.000 -8.485) 10.335 1.515 ( -9.577 0.000 5.544) 11.066 1.684 ( 0.434 0.000 -4.260) 4.282 1.750 ( -2.785 0.000 -7.740) 8.226 1.841 ( 2.699 0.000 1.600) 3.137 1.893 ( -2.671 0.000 1.825) 3.234 1.907 ( 3.723 0.000 -5.720) 6.825 1.953 ( 10.111 0.000 5.181) 11.362 1.978 ( -4.428 0.000 -2.792) 5.234 2.101 ( -3.553 0.000 3.441) 4.946 2.128 ( 6.404 0.000 -7.766) 10.066 2.194 ( 1.421 0.000 2.852) 3.186 2.201 ( -1.649 0.000 -3.112) 3.522 2.267 ( -2.570 0.000 0.949) 2.740 2.291 ( -1.144 0.000 -2.928) 3.144 2.317 ( -3.407 0.000 -0.721) 3.483 2.453 ( 5.557 0.000 -1.366) 5.722 2.496 ( 3.705 0.000 -4.492) 5.822 2.521 ( 3.115 0.000 3.067) 4.372 2.549 ( -1.880 0.000 0.563) 1.963 2.578 ( 5.880 0.000 -0.087) 5.881 2.633 ( -0.368 0.000 -4.200) 4.216 2.678 ( -3.515 0.000 2.974) 4.604 2.702 ( -4.261 0.000 0.200) 4.266 2.729 ( 1.977 0.000 0.003) 1.977 2.782 ( 4.857 0.000 -3.537) 6.009 2.830 ( -7.200 0.000 3.432) 7.976 2.883 ( -4.268 0.000 -1.348) 4.476 2.915 ( 4.332 0.000 2.278) 4.894 2.969 ( 2.456 0.000 -2.367) 3.411 3.003 ( -3.040 0.000 0.158) 3.044 3.023 ( -3.457 0.000 -1.254) 3.678 3.153 ( 1.230 0.000 1.703) 2.101 3.166 ( 0.415 0.000 4.017) 4.038 3.236 ( 1.766 0.000 -5.490) 5.767 3.271 ( -1.629 0.000 -5.572) 5.805 3.364 ( 3.591 0.000 -1.225) 3.795 3.384 ( 3.832 0.000 -3.117) 4.940 3.430 ( -3.924 0.000 1.666) 4.263 3.479 ( -4.279 0.000 -2.507) 4.959 3.567 ( 1.419 0.000 0.542) 1.519 3.595 ( -1.640 0.000 3.437) 3.808 3.614 ( 1.891 0.000 -4.027) 4.449 3.636 ( -0.111 0.000 -0.284) 0.305 3.807 ( 2.768 0.000 2.286) 3.590 3.819 ( 1.910 0.000 -1.390) 2.363 3.850 ( 1.723 0.000 -3.562) 3.957 3.889 ( 1.888 0.000 -4.740) 5.102 3.961 ( 2.475 0.000 0.612) 2.549 4.010 ( 3.658 0.000 -3.846) 5.308 4.078 ( -5.100 0.000 0.541) 5.128 4.116 ( -4.260 0.000 -2.803) 5.099 4.205 ( 0.589 0.000 3.917) 3.961 4.245 ( -1.284 0.000 3.022) 3.283 4.267 ( -1.423 0.000 -1.796) 2.291 4.278 ( -1.043 0.000 0.575) 1.191 4.389 ( -2.097 0.000 0.385) 2.132 4.402 ( -3.105 0.000 2.395) 3.921 4.412 ( 1.392 0.000 -1.830) 2.299 4.463 ( -2.448 0.000 -3.575) 4.333 4.665 ( 2.351 0.000 4.888) 5.424 4.680 ( 0.808 0.000 3.619) 3.708 4.716 ( 2.269 0.000 -0.251) 2.283 4.720 ( 1.729 0.000 -0.963) 1.979 4.947 ( 2.591 0.000 2.585) 3.659 4.961 ( -0.994 0.000 3.090) 3.246 4.969 ( -0.071 0.000 0.455) 0.461 5.005 ( -1.130 0.000 -0.809) 1.390 5.217 ( 0.128 0.000 6.187) 6.188 5.218 ( 0.604 0.000 6.366) 6.395 5.292 ( 1.468 0.000 -0.213) 1.483 5.328 ( -2.349 0.000 0.225) 2.359 5.383 ( 0.626 0.000 -0.551) 0.834 5.400 ( 0.575 0.000 -2.486) 2.551 5.409 ( 0.909 0.000 -2.695) 2.844 5.421 ( -1.888 0.000 -4.127) 4.539 5.604 ( 0.425 0.000 1.153) 1.229 5.618 ( -1.224 0.000 -0.509) 1.325 5.631 ( 0.852 0.000 -1.073) 1.370 5.644 ( -0.457 0.000 -0.985) 1.086 5.731 ( -0.596 0.000 0.170) 0.619 5.741 ( -1.071 0.000 -1.380) 1.747 5.751 ( -0.556 0.000 -0.890) 1.050 5.757 ( -0.922 0.000 -1.454) 1.722 5.998 ( 2.637 0.000 0.240) 2.648 6.017 ( 3.810 0.000 -1.519) 4.102 6.031 ( -1.089 0.000 0.642) 1.264 6.065 ( -0.976 0.000 -3.046) 3.199 6.637 ( 5.660 0.000 3.179) 6.492 6.736 ( 4.174 0.000 -7.343) 8.446 6.763 ( -6.768 0.000 2.021) 7.064 6.826 ( -4.553 0.000 -4.666) 6.520 7.089 ( 5.823 0.000 3.203) 6.646 7.148 ( 4.732 0.000 -2.986) 5.596 7.202 ( -5.412 0.000 2.203) 5.844 7.237 ( -3.951 0.000 -1.720) 4.309 7.440 ( 2.638 0.000 8.411) 8.815 7.505 ( -3.593 0.000 5.717) 6.753 7.558 ( 2.009 0.000 -3.311) 3.873 7.592 ( -0.753 0.000 -3.505) 3.585 7.777 ( 4.189 0.000 5.238) 6.707 7.839 ( -1.446 0.000 2.877) 3.220 7.866 ( 1.525 0.000 -2.258) 2.725 7.880 ( -0.106 0.000 -1.683) 1.686 7.926 ( 0.301 0.000 1.425) 1.457 7.957 ( -3.048 0.000 3.596) 4.714 7.962 ( 2.174 0.000 -3.237) 3.900 8.027 ( -3.516 0.000 -4.120) 5.417 8.217 ( 1.579 0.000 0.766) 1.755 8.245 ( 1.911 0.000 -2.009) 2.773 8.249 ( -1.319 0.000 0.870) 1.580 8.272 ( -0.647 0.000 -1.629) 1.753 8.840 ( 1.400 0.000 4.580) 4.789 8.882 ( -2.583 0.000 5.005) 5.632 8.913 ( 2.784 0.000 -3.278) 4.301 8.958 ( -1.452 0.000 -2.799) 3.154 9.109 ( 1.667 0.000 2.625) 3.109 9.153 ( 2.233 0.000 -2.026) 3.015 9.160 ( -3.010 0.000 4.199) 5.166 9.207 ( -3.056 0.000 -0.937) 3.196 9.405 ( 0.167 0.000 1.883) 1.891 9.409 ( -0.167 0.000 2.123) 2.130 9.429 ( 0.032 0.000 -0.125) 0.129 9.432 ( -0.205 0.000 -0.194) 0.282 9.527 ( 0.672 0.000 -0.655) 0.938 9.538 ( -0.421 0.000 1.068) 1.148 9.568 ( 1.801 0.000 -3.862) 4.261 9.592 ( -0.492 0.000 -3.252) 3.289 9.945 ( 4.148 0.000 2.924) 5.075 10.001 ( 3.803 0.000 -2.803) 4.724 10.036 ( -4.662 0.000 2.709) 5.392 10.082 ( -3.758 0.000 -2.050) 4.281 10.631 ( 0.446 0.000 3.210) 3.241 10.636 ( 0.035 0.000 2.507) 2.507 10.688 ( 0.331 0.000 -2.810) 2.829 10.709 ( -1.602 0.000 -4.874) 5.131 10.947 ( 2.247 0.000 4.838) 5.334 11.025 ( -5.710 0.000 6.271) 8.481 11.048 ( 4.866 0.000 -5.858) 7.615 11.142 ( -3.651 0.000 -6.327) 7.305 11.279 ( 1.808 0.000 1.549) 2.381 11.306 ( 2.755 0.000 -1.103) 2.968 11.324 ( -2.207 0.000 2.602) 3.412 11.364 ( -2.710 0.000 -1.574) 3.134 11.792 ( 0.475 0.000 2.301) 2.349 11.799 ( -0.172 0.000 3.444) 3.448 11.840 ( 2.010 0.000 -3.008) 3.617 11.868 ( -0.860 0.000 -3.964) 4.056 12.074 ( 0.294 0.000 2.251) 2.270 12.086 ( -0.795 0.000 1.813) 1.980 12.106 ( 0.348 0.000 -1.186) 1.236 12.109 ( 0.032 0.000 -0.926) 0.927 13.261 ( 1.098 0.000 1.459) 1.826 13.286 ( -1.284 0.000 1.862) 2.262 13.287 ( 1.213 0.000 -1.208) 1.712 13.317 ( -1.697 0.000 -1.509) 2.271 13.634 ( 1.044 0.000 2.163) 2.402 13.649 ( -0.456 0.000 1.823) 1.879 13.675 ( 1.287 0.000 -2.298) 2.634 13.685 ( 0.472 0.000 -2.287) 2.335 18.343 ( 1.403 0.000 8.034) 8.155 18.400 ( -4.584 0.000 8.292) 9.475 18.489 ( 2.406 0.000 -6.646) 7.068 18.528 ( -1.136 0.000 -4.937) 5.066 18.608 ( 3.009 0.000 4.284) 5.235 18.698 ( -5.896 0.000 2.393) 6.363 18.703 ( 3.165 0.000 -5.218) 6.103 18.768 ( -2.943 0.000 -5.158) 5.939 19.426 ( 5.143 0.000 2.504) 5.720 19.454 ( 7.547 0.000 -0.426) 7.559 19.507 ( -2.902 0.000 5.436) 6.162 19.589 ( -5.756 0.000 -3.034) 6.507 19.807 ( -0.039 0.000 4.546) 4.546 19.814 ( -0.421 0.000 7.024) 7.037 19.910 ( 5.394 0.000 -4.868) 7.266 19.957 ( 0.332 0.000 -6.257) 6.266 20.032 ( 2.367 0.000 0.344) 2.392 20.082 ( 4.739 0.000 -3.254) 5.749 20.141 ( -7.367 0.000 1.275) 7.477 20.202 ( -7.103 0.000 -4.603) 8.464 20.428 ( 2.102 0.000 4.311) 4.796 20.476 ( -1.922 0.000 3.344) 3.857 20.510 ( 0.723 0.000 -4.266) 4.327 20.527 ( -1.567 0.000 -1.898) 2.461 20.663 ( 2.997 0.000 1.452) 3.330 20.722 ( -2.541 0.000 3.331) 4.190 20.724 ( 4.453 0.000 -4.483) 6.319 20.786 ( -1.804 0.000 -3.319) 3.778 21.111 ( 3.550 0.000 2.287) 4.223 21.149 ( 4.025 0.000 -1.855) 4.432 21.189 ( -3.724 0.000 2.505) 4.488 21.228 ( -3.978 0.000 -1.542) 4.267 21.479 ( -0.090 0.000 4.135) 4.136 21.492 ( -1.261 0.000 5.643) 5.782 21.570 ( 1.558 0.000 -6.055) 6.252 21.600 ( -1.441 0.000 -6.534) 6.691 22.171 ( 2.767 0.000 4.690) 5.445 22.223 ( 4.359 0.000 -0.690) 4.413 22.245 ( -4.330 0.000 4.540) 6.274 22.308 ( -3.830 0.000 -1.999) 4.320 22.392 ( 0.113 0.000 3.461) 3.463 22.393 ( 0.075 0.000 3.467) 3.468 22.472 ( 1.314 0.000 -4.780) 4.957 22.492 ( -0.726 0.000 -7.150) 7.186 23.003 ( 1.342 0.000 2.678) 2.995 23.022 ( 1.517 0.000 0.522) 1.604 23.037 ( -1.880 0.000 2.015) 2.756 23.056 ( -1.801 0.000 -0.054) 1.802 ======================= Grid point 57 (23/30) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 13.648 11.597) 17.909 0.850 ( 0.000 6.718 4.159) 7.901 0.967 ( 0.000 11.074 0.337) 11.079 1.177 ( 0.000 0.759 -9.008) 9.040 1.338 ( 0.000 0.323 9.764) 9.770 1.391 ( 0.000 -2.274 -1.360) 2.649 1.450 ( 0.000 3.088 11.136) 11.556 1.554 ( 0.000 10.111 19.369) 21.849 1.571 ( 0.000 5.011 3.609) 6.175 1.668 ( 0.000 -0.637 -2.336) 2.422 1.702 ( 0.000 -1.745 0.879) 1.954 1.775 ( 0.000 4.079 -4.785) 6.288 1.797 ( 0.000 1.732 2.607) 3.130 1.899 ( 0.000 5.827 -4.019) 7.079 1.919 ( 0.000 2.053 -8.389) 8.637 2.005 ( 0.000 3.717 -10.767) 11.391 2.103 ( 0.000 5.435 6.817) 8.719 2.116 ( 0.000 2.965 1.727) 3.431 2.156 ( 0.000 4.527 -0.210) 4.532 2.221 ( 0.000 -0.506 0.022) 0.507 2.238 ( 0.000 5.012 5.195) 7.219 2.277 ( 0.000 4.958 -3.262) 5.934 2.345 ( 0.000 4.526 -2.022) 4.957 2.352 ( 0.000 -2.939 -5.452) 6.194 2.428 ( 0.000 2.593 1.108) 2.820 2.472 ( 0.000 2.890 -0.979) 3.051 2.511 ( 0.000 0.856 1.384) 1.627 2.521 ( 0.000 2.385 -0.019) 2.385 2.560 ( 0.000 -0.236 2.685) 2.696 2.635 ( 0.000 -3.522 -2.830) 4.518 2.661 ( 0.000 -1.484 -0.185) 1.495 2.686 ( 0.000 -0.529 -2.947) 2.994 2.752 ( 0.000 -0.763 -0.709) 1.042 2.767 ( 0.000 0.705 -1.587) 1.737 2.872 ( 0.000 1.135 1.675) 2.023 2.877 ( 0.000 -0.243 -0.823) 0.858 2.929 ( 0.000 -0.509 1.244) 1.344 2.978 ( 0.000 0.043 -1.082) 1.083 3.031 ( 0.000 3.106 1.142) 3.309 3.044 ( 0.000 -1.365 0.316) 1.401 3.151 ( 0.000 -1.444 2.895) 3.236 3.171 ( 0.000 1.766 -0.986) 2.023 3.236 ( 0.000 -0.370 -1.551) 1.594 3.274 ( 0.000 2.945 -6.154) 6.823 3.357 ( 0.000 2.634 0.945) 2.798 3.396 ( 0.000 2.018 -2.210) 2.993 3.470 ( 0.000 0.114 2.283) 2.286 3.505 ( 0.000 0.232 0.756) 0.791 3.588 ( 0.000 -0.239 -2.384) 2.396 3.591 ( 0.000 0.729 0.110) 0.738 3.630 ( 0.000 2.918 -1.375) 3.226 3.694 ( 0.000 4.257 -3.910) 5.780 3.762 ( 0.000 1.162 1.486) 1.887 3.797 ( 0.000 1.533 -1.460) 2.117 3.851 ( 0.000 -3.552 -2.489) 4.338 3.870 ( 0.000 1.246 -3.051) 3.295 3.923 ( 0.000 1.731 0.629) 1.841 3.955 ( 0.000 0.185 -2.975) 2.980 4.115 ( 0.000 -0.838 -0.105) 0.844 4.130 ( 0.000 -2.290 -0.888) 2.456 4.205 ( 0.000 -0.997 1.875) 2.124 4.231 ( 0.000 -1.435 0.160) 1.443 4.313 ( 0.000 2.016 0.719) 2.140 4.324 ( 0.000 -0.565 -0.293) 0.636 4.372 ( 0.000 -2.113 0.894) 2.294 4.383 ( 0.000 -0.255 -1.181) 1.208 4.493 ( 0.000 0.692 0.461) 0.831 4.498 ( 0.000 -1.652 -0.274) 1.674 4.606 ( 0.000 0.625 3.399) 3.456 4.627 ( 0.000 -1.446 1.720) 2.247 4.695 ( 0.000 2.229 3.411) 4.075 4.723 ( 0.000 1.406 -0.616) 1.535 4.895 ( 0.000 -0.950 1.863) 2.091 4.908 ( 0.000 -2.865 0.463) 2.902 4.999 ( 0.000 -1.431 1.936) 2.407 5.038 ( 0.000 1.165 -2.080) 2.384 5.172 ( 0.000 -2.211 4.272) 4.810 5.208 ( 0.000 -1.246 2.818) 3.081 5.281 ( 0.000 0.103 1.769) 1.772 5.326 ( 0.000 -2.604 -3.736) 4.554 5.342 ( 0.000 -2.222 2.664) 3.469 5.374 ( 0.000 -1.446 1.747) 2.268 5.390 ( 0.000 -2.930 -3.845) 4.834 5.435 ( 0.000 -0.744 -4.165) 4.231 5.568 ( 0.000 -2.901 -2.199) 3.640 5.580 ( 0.000 -1.316 -2.489) 2.815 5.620 ( 0.000 -1.596 2.763) 3.191 5.639 ( 0.000 -1.392 0.317) 1.428 5.730 ( 0.000 -1.607 -0.945) 1.864 5.731 ( 0.000 -1.606 -0.437) 1.665 5.804 ( 0.000 3.105 0.205) 3.112 5.804 ( 0.000 0.624 1.586) 1.705 5.957 ( 0.000 1.260 0.314) 1.298 5.986 ( 0.000 1.122 -2.737) 2.958 6.069 ( 0.000 2.333 -0.346) 2.358 6.080 ( 0.000 1.188 -1.907) 2.247 6.584 ( 0.000 0.644 3.303) 3.366 6.670 ( 0.000 -1.470 -5.734) 5.919 6.853 ( 0.000 -1.316 -0.657) 1.471 6.860 ( 0.000 -1.449 -1.580) 2.143 7.021 ( 0.000 1.228 3.894) 4.083 7.097 ( 0.000 0.986 -3.847) 3.972 7.269 ( 0.000 -0.489 0.943) 1.063 7.270 ( 0.000 -0.694 1.304) 1.477 7.444 ( 0.000 2.052 5.322) 5.703 7.490 ( 0.000 -2.669 -0.226) 2.678 7.576 ( 0.000 2.021 1.043) 2.275 7.599 ( 0.000 0.009 0.206) 0.206 7.742 ( 0.000 0.848 5.034) 5.105 7.800 ( 0.000 -2.300 1.636) 2.823 7.851 ( 0.000 -0.849 -0.840) 1.194 7.875 ( 0.000 -0.065 -1.720) 1.721 7.917 ( 0.000 -2.171 1.401) 2.584 7.927 ( 0.000 -1.846 1.263) 2.236 8.009 ( 0.000 2.169 2.158) 3.060 8.075 ( 0.000 0.990 -1.564) 1.851 8.186 ( 0.000 -1.592 -1.069) 1.917 8.204 ( 0.000 -2.578 -2.000) 3.263 8.254 ( 0.000 -0.197 -1.345) 1.360 8.255 ( 0.000 -1.536 -1.921) 2.459 8.825 ( 0.000 -0.527 3.771) 3.808 8.870 ( 0.000 -0.502 -1.181) 1.284 8.960 ( 0.000 3.747 1.611) 4.078 8.976 ( 0.000 0.455 1.072) 1.165 9.086 ( 0.000 -0.730 -0.999) 1.237 9.108 ( 0.000 -1.907 -3.670) 4.136 9.173 ( 0.000 -2.682 2.887) 3.941 9.207 ( 0.000 -3.531 -0.557) 3.575 9.345 ( 0.000 -3.886 -0.518) 3.920 9.363 ( 0.000 -2.221 -1.952) 2.957 9.431 ( 0.000 0.306 3.661) 3.673 9.460 ( 0.000 0.552 2.504) 2.564 9.524 ( 0.000 -1.426 -2.836) 3.175 9.527 ( 0.000 1.276 -4.496) 4.674 9.598 ( 0.000 3.256 1.670) 3.659 9.630 ( 0.000 1.555 -1.496) 2.158 9.908 ( 0.000 1.423 3.398) 3.684 9.956 ( 0.000 0.533 -1.170) 1.286 10.125 ( 0.000 2.043 0.151) 2.049 10.137 ( 0.000 1.043 -0.640) 1.223 10.635 ( 0.000 1.002 2.588) 2.775 10.656 ( 0.000 3.047 1.246) 3.292 10.709 ( 0.000 1.815 -0.641) 1.925 10.763 ( 0.000 2.460 -5.480) 6.006 10.896 ( 0.000 -1.897 1.749) 2.581 10.935 ( 0.000 -3.936 -2.290) 4.554 11.108 ( 0.000 -0.784 0.594) 0.983 11.124 ( 0.000 -2.940 -0.622) 3.005 11.281 ( 0.000 0.343 0.358) 0.496 11.288 ( 0.000 1.613 -0.820) 1.809 11.420 ( 0.000 5.513 2.743) 6.158 11.470 ( 0.000 5.631 -2.919) 6.342 11.773 ( 0.000 -1.272 0.956) 1.592 11.793 ( 0.000 -0.797 -0.588) 0.990 11.811 ( 0.000 0.346 3.711) 3.727 11.898 ( 0.000 1.449 -5.031) 5.235 12.045 ( 0.000 -2.173 1.315) 2.540 12.059 ( 0.000 -2.246 -0.132) 2.250 12.094 ( 0.000 -0.151 0.721) 0.736 12.109 ( 0.000 -0.523 -0.926) 1.063 13.255 ( 0.000 0.522 1.864) 1.936 13.274 ( 0.000 -0.168 0.463) 0.493 13.314 ( 0.000 0.947 -0.344) 1.008 13.332 ( 0.000 -0.437 -1.586) 1.645 13.602 ( 0.000 -1.674 1.793) 2.453 13.633 ( 0.000 -1.788 -1.153) 2.128 13.652 ( 0.000 -0.893 -0.097) 0.898 13.660 ( 0.000 -1.186 -0.463) 1.273 18.308 ( 0.000 -2.131 5.204) 5.623 18.404 ( 0.000 -4.537 -4.241) 6.210 18.448 ( 0.000 -1.914 4.177) 4.595 18.504 ( 0.000 -0.434 -1.758) 1.811 18.633 ( 0.000 2.793 1.516) 3.178 18.673 ( 0.000 0.494 -2.304) 2.357 18.756 ( 0.000 -2.104 0.520) 2.167 18.804 ( 0.000 0.868 -3.620) 3.723 19.273 ( 0.000 -6.773 7.403) 10.034 19.348 ( 0.000 -3.549 -0.216) 3.556 19.528 ( 0.000 -2.260 1.021) 2.480 19.553 ( 0.000 -6.334 -2.603) 6.848 19.641 ( 0.000 -6.613 10.378) 12.306 19.742 ( 0.000 -8.803 -1.044) 8.864 19.754 ( 0.000 -5.408 3.242) 6.305 19.862 ( 0.000 -5.293 -7.468) 9.154 20.087 ( 0.000 2.165 1.151) 2.452 20.094 ( 0.000 3.345 -0.261) 3.355 20.256 ( 0.000 -1.186 1.246) 1.720 20.265 ( 0.000 1.649 -0.554) 1.740 20.403 ( 0.000 1.810 1.836) 2.578 20.445 ( 0.000 -0.882 -1.660) 1.880 20.560 ( 0.000 1.721 -1.203) 2.099 20.591 ( 0.000 -1.986 -3.319) 3.868 20.690 ( 0.000 4.202 0.801) 4.278 20.728 ( 0.000 5.097 -3.163) 5.999 20.831 ( 0.000 6.877 1.482) 7.035 20.853 ( 0.000 3.324 -0.610) 3.379 20.984 ( 0.000 -7.140 1.091) 7.223 21.017 ( 0.000 -5.323 -2.570) 5.911 21.180 ( 0.000 -3.663 3.030) 4.754 21.239 ( 0.000 -3.299 -3.142) 4.556 21.462 ( 0.000 0.135 0.959) 0.968 21.496 ( 0.000 -2.125 -3.197) 3.839 21.588 ( 0.000 4.123 4.558) 6.147 21.685 ( 0.000 1.408 -5.818) 5.986 21.994 ( 0.000 -7.540 6.814) 10.163 22.097 ( 0.000 -6.190 -3.066) 6.908 22.263 ( 0.000 -2.517 -0.891) 2.670 22.267 ( 0.000 -4.837 -2.069) 5.261 22.370 ( 0.000 -1.006 2.370) 2.575 22.413 ( 0.000 -2.178 -2.382) 3.227 22.503 ( 0.000 4.920 3.313) 5.932 22.572 ( 0.000 3.020 -4.271) 5.231 22.954 ( 0.000 -3.475 2.481) 4.270 22.962 ( 0.000 -3.512 1.554) 3.840 23.037 ( 0.000 -3.404 2.670) 4.327 23.061 ( 0.000 -0.539 -0.456) 0.706 ======================= Grid point 58 (24/30) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 6.160 1.258 13.436) 14.834 0.967 ( 6.590 0.983 -7.127) 9.757 1.091 ( -9.714 -1.747 10.983) 14.766 1.134 ( 14.635 9.643 5.877) 18.485 1.281 ( -0.222 3.181 -3.988) 5.106 1.373 ( 2.657 3.189 -9.897) 10.732 1.390 ( -8.193 4.809 7.689) 12.222 1.515 ( -1.378 10.584 10.795) 15.180 1.551 ( -5.315 7.321 4.486) 10.098 1.661 ( -3.196 11.089 5.653) 12.850 1.728 ( -1.460 5.243 1.086) 5.550 1.782 ( 2.265 0.735 0.075) 2.383 1.850 ( 3.372 2.257 1.616) 4.367 1.912 ( 1.006 1.416 3.754) 4.136 1.964 ( 3.387 5.240 -6.336) 8.893 1.996 ( -1.018 3.887 0.446) 4.043 2.052 ( 0.522 4.706 -3.471) 5.871 2.078 ( 2.951 0.556 -0.810) 3.110 2.162 ( -3.325 -0.959 0.815) 3.555 2.188 ( -1.295 1.859 -0.575) 2.337 2.225 ( -3.653 2.941 1.240) 4.851 2.264 ( -2.763 -0.400 -2.481) 3.735 2.293 ( -0.792 -0.303 -2.087) 2.253 2.340 ( -4.188 3.558 -3.799) 6.680 2.425 ( 2.109 -2.716 -2.102) 4.030 2.458 ( 2.796 1.399 -2.301) 3.882 2.534 ( -2.446 -1.174 0.658) 2.792 2.587 ( 2.875 1.810 3.824) 5.115 2.609 ( 1.636 0.178 -0.638) 1.765 2.638 ( 0.872 1.674 -1.872) 2.658 2.660 ( 1.017 -1.680 -0.865) 2.146 2.682 ( 0.730 0.505 -3.226) 3.346 2.753 ( 0.407 0.873 1.089) 1.454 2.786 ( 2.537 -0.378 -0.869) 2.708 2.816 ( -2.729 0.243 2.793) 3.912 2.874 ( -3.597 -0.648 -2.144) 4.238 2.969 ( 1.637 3.542 2.047) 4.406 2.995 ( 3.422 0.263 -1.200) 3.635 3.024 ( -0.723 1.732 1.000) 2.126 3.047 ( -0.312 2.159 0.401) 2.218 3.137 ( 0.228 0.135 2.756) 2.769 3.158 ( -1.551 -0.264 0.050) 1.574 3.221 ( -1.342 -0.753 -3.663) 3.972 3.249 ( -1.432 0.857 -6.178) 6.400 3.389 ( 2.871 1.907 1.262) 3.671 3.419 ( 2.207 0.053 0.301) 2.228 3.470 ( -0.119 2.410 -0.921) 2.583 3.522 ( -0.792 -0.788 -3.215) 3.403 3.563 ( -1.524 -1.159 2.340) 3.024 3.592 ( 0.839 4.899 0.677) 5.016 3.642 ( -3.072 2.700 0.320) 4.102 3.692 ( 3.657 2.783 -3.209) 5.605 3.743 ( -0.375 0.012 -0.544) 0.661 3.803 ( -0.923 0.431 -4.290) 4.409 3.815 ( -0.538 -1.322 0.073) 1.429 3.881 ( -0.213 -2.187 -4.628) 5.123 3.959 ( 1.342 -1.417 1.531) 2.481 4.014 ( 4.041 1.098 -2.741) 5.005 4.073 ( -1.592 -0.878 -0.506) 1.887 4.102 ( -3.607 -1.517 -3.632) 5.339 4.203 ( 1.362 -1.226 2.913) 3.441 4.237 ( 0.621 -0.887 0.551) 1.215 4.288 ( -0.909 2.217 1.771) 2.980 4.314 ( -0.245 1.369 0.296) 1.422 4.376 ( -1.817 0.752 -0.551) 2.042 4.383 ( -0.569 -0.697 0.059) 0.902 4.467 ( -1.734 0.298 -0.097) 1.762 4.480 ( -0.984 3.568 -0.905) 3.811 4.651 ( 3.210 -1.245 3.686) 5.044 4.668 ( 3.823 -1.346 2.746) 4.896 4.711 ( 0.805 0.475 1.524) 1.787 4.743 ( 0.416 0.854 -1.211) 1.539 4.895 ( -0.820 -3.440 1.870) 4.000 4.918 ( 1.943 -2.208 0.054) 2.942 4.966 ( -2.196 -1.806 3.101) 4.207 5.014 ( -2.056 0.350 -0.999) 2.312 5.183 ( 1.293 -1.779 4.683) 5.173 5.217 ( -0.475 -0.820 4.625) 4.721 5.264 ( -0.760 -2.191 1.399) 2.709 5.310 ( -0.830 -1.862 -2.736) 3.412 5.364 ( 1.450 -1.458 0.264) 2.074 5.378 ( 1.043 -1.702 -1.710) 2.628 5.397 ( -0.075 -1.094 -3.884) 4.036 5.421 ( -1.474 -0.724 -3.592) 3.950 5.553 ( -0.489 -3.078 0.772) 3.211 5.608 ( -0.158 -3.399 1.967) 3.930 5.616 ( 1.746 -0.535 -2.612) 3.187 5.641 ( -0.221 -1.362 -0.386) 1.433 5.703 ( -0.980 -1.330 0.909) 1.885 5.745 ( 0.599 0.010 -1.477) 1.594 5.768 ( -1.548 2.003 0.559) 2.593 5.791 ( -1.862 1.204 -0.953) 2.413 5.995 ( 2.379 -0.662 0.211) 2.479 6.022 ( 2.482 1.847 -1.743) 3.551 6.058 ( -1.036 1.524 0.103) 1.845 6.085 ( 0.239 2.015 -2.122) 2.936 6.631 ( 4.598 -0.282 3.167) 5.590 6.704 ( 2.285 -1.885 -2.715) 4.018 6.766 ( -4.819 -0.376 -1.119) 4.961 6.812 ( -4.707 -1.531 -4.205) 6.495 7.096 ( 5.841 0.665 3.717) 6.956 7.154 ( 4.139 0.640 -2.060) 4.668 7.212 ( -4.430 0.406 1.545) 4.709 7.242 ( -3.256 0.089 -1.318) 3.514 7.465 ( 1.892 1.261 5.465) 5.919 7.503 ( 0.791 -0.819 2.891) 3.107 7.553 ( -1.733 0.465 0.464) 1.853 7.586 ( -1.199 -0.400 -1.168) 1.721 7.763 ( 1.341 -0.647 4.242) 4.496 7.817 ( 1.147 -2.592 0.569) 2.891 7.860 ( 1.334 0.507 1.427) 2.018 7.887 ( 0.712 -0.921 0.412) 1.235 7.907 ( -0.868 -1.394 2.696) 3.157 7.938 ( 0.827 -1.369 -0.245) 1.618 7.971 ( -2.090 0.399 -1.086) 2.389 8.040 ( -3.015 1.439 -4.451) 5.565 8.197 ( 1.386 -2.271 1.906) 3.273 8.217 ( 0.042 -1.634 1.035) 1.935 8.251 ( 0.544 -0.245 -2.299) 2.375 8.263 ( -0.154 -0.767 -2.828) 2.934 8.839 ( 1.175 -0.210 4.400) 4.559 8.903 ( 2.349 -0.149 -1.080) 2.590 8.931 ( -1.752 2.735 1.186) 3.458 8.978 ( -0.674 1.653 -1.388) 2.261 9.094 ( 1.151 -0.886 0.626) 1.582 9.124 ( 1.588 -2.641 -2.197) 3.785 9.150 ( -2.115 -1.597 1.297) 2.951 9.174 ( -2.565 -3.214 -0.828) 4.195 9.347 ( 0.064 -3.509 -1.282) 3.736 9.353 ( -0.471 -3.260 -2.026) 3.867 9.420 ( -0.690 -0.426 3.601) 3.691 9.466 ( 0.249 1.601 3.057) 3.460 9.509 ( 0.079 -1.342 -2.701) 3.017 9.568 ( 1.729 0.473 -4.313) 4.671 9.592 ( -0.393 3.128 1.855) 3.658 9.621 ( -0.709 1.067 -1.086) 1.680 9.956 ( 3.737 1.420 3.239) 5.145 9.997 ( 3.600 0.942 -0.076) 3.722 10.074 ( -4.152 2.091 0.836) 4.724 10.113 ( -2.402 1.734 -2.192) 3.685 10.634 ( -0.208 2.218 2.328) 3.222 10.667 ( 1.443 2.119 0.780) 2.679 10.700 ( -1.267 2.238 -0.865) 2.714 10.746 ( -0.956 1.748 -3.999) 4.468 10.909 ( 1.588 -2.240 3.506) 4.453 10.985 ( 3.618 -4.068 -3.512) 6.478 11.021 ( -4.771 -0.718 3.709) 6.086 11.101 ( -3.242 -2.761 -3.988) 5.834 11.274 ( 0.173 0.221 1.843) 1.864 11.320 ( 1.400 1.437 -2.944) 3.563 11.416 ( -0.303 5.667 2.673) 6.274 11.459 ( -0.815 6.421 -2.148) 6.819 11.780 ( 0.921 -0.925 2.498) 2.818 11.799 ( -0.726 -0.088 3.762) 3.833 11.827 ( 1.972 -0.923 -2.401) 3.241 11.881 ( -1.440 0.675 -4.658) 4.922 12.055 ( 0.415 -0.989 0.832) 1.358 12.065 ( 0.719 -2.091 0.039) 2.211 12.083 ( -0.746 -0.625 1.516) 1.802 12.116 ( 0.325 -0.336 -1.737) 1.799 13.264 ( 0.774 0.273 2.061) 2.218 13.276 ( -0.044 -0.352 1.671) 1.708 13.308 ( -0.151 1.112 -1.512) 1.883 13.321 ( -1.027 0.203 -1.910) 2.178 13.610 ( 0.604 -1.935 1.861) 2.752 13.639 ( 0.232 -1.373 0.957) 1.690 13.648 ( 0.091 -1.836 -1.100) 2.143 13.675 ( 0.665 -1.434 -1.835) 2.422 18.316 ( 0.819 -2.026 6.958) 7.293 18.391 ( -2.859 -0.661 5.851) 6.546 18.442 ( 2.781 -4.075 -5.514) 7.399 18.496 ( -1.858 -2.283 -5.260) 6.028 18.637 ( 1.014 2.102 3.245) 3.997 18.699 ( -1.239 0.398 1.947) 2.342 18.722 ( 1.000 1.539 -2.506) 3.106 18.783 ( -2.324 1.139 -4.436) 5.136 19.360 ( 5.578 -6.840 5.744) 10.531 19.399 ( 4.733 -5.758 3.025) 8.045 19.516 ( -1.783 -3.314 -1.543) 4.067 19.540 ( -1.466 -2.935 -3.063) 4.488 19.633 ( -0.204 -7.644 8.043) 11.098 19.700 ( -2.863 -7.925 7.076) 11.003 19.757 ( 0.309 -9.964 -4.418) 10.904 19.851 ( -1.234 -6.709 -8.207) 10.671 20.094 ( 2.380 2.058 4.463) 5.460 20.139 ( 1.438 3.663 1.459) 4.197 20.201 ( -2.496 1.671 -0.975) 3.158 20.242 ( -2.631 3.784 -3.442) 5.752 20.420 ( 0.934 0.747 2.816) 3.060 20.465 ( 1.712 -0.822 0.645) 2.005 20.520 ( -1.923 0.257 -2.976) 3.553 20.551 ( -2.905 -1.500 -4.132) 5.269 20.717 ( 2.222 4.757 4.860) 7.154 20.785 ( 1.206 4.961 0.710) 5.155 20.814 ( 0.319 6.861 -1.393) 7.008 20.863 ( 0.565 5.375 -5.071) 7.411 20.998 ( 0.978 -8.926 1.810) 9.160 21.051 ( 2.566 -7.591 -3.229) 8.639 21.152 ( -2.085 -3.219 3.152) 4.965 21.204 ( -2.577 -1.712 -2.233) 3.816 21.445 ( -0.693 -0.527 3.269) 3.383 21.516 ( 0.936 -1.287 -4.570) 4.839 21.581 ( -0.538 4.275 4.673) 6.357 21.678 ( -0.496 1.116 -6.008) 6.131 21.995 ( 0.180 -7.910 7.383) 10.822 22.129 ( 2.292 -7.433 -5.668) 9.624 22.240 ( -1.449 -2.389 1.140) 3.018 22.272 ( -0.246 -2.302 -1.883) 2.984 22.358 ( -0.748 -1.402 2.001) 2.555 22.403 ( -0.482 -2.642 -2.935) 3.978 22.496 ( -0.391 4.344 4.290) 6.118 22.577 ( 0.272 2.862 -4.477) 5.320 22.964 ( 1.065 -3.072 3.641) 4.881 22.994 ( 2.323 -2.263 0.608) 3.299 23.019 ( -1.246 -2.879 2.319) 3.902 23.044 ( -1.742 -1.227 -0.442) 2.176 ======================= Grid point 60 (25/30) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 16.777 5.059) 17.523 1.043 ( 0.000 11.219 3.368) 11.714 1.211 ( 0.000 3.873 0.870) 3.970 1.220 ( 0.000 12.463 -2.828) 12.780 1.347 ( 0.000 4.419 2.477) 5.065 1.424 ( 0.000 5.708 -7.114) 9.121 1.560 ( 0.000 4.805 3.177) 5.760 1.620 ( 0.000 0.619 -4.390) 4.433 1.677 ( 0.000 3.629 5.426) 6.528 1.730 ( 0.000 6.106 3.841) 7.213 1.814 ( 0.000 6.738 8.172) 10.591 1.865 ( 0.000 3.813 -1.533) 4.110 1.933 ( 0.000 12.378 7.575) 14.512 1.978 ( 0.000 4.048 -3.459) 5.324 2.039 ( 0.000 8.067 -0.771) 8.104 2.095 ( 0.000 -0.157 0.652) 0.671 2.152 ( 0.000 1.346 2.435) 2.782 2.160 ( 0.000 -0.066 2.163) 2.164 2.207 ( 0.000 0.729 -1.504) 1.671 2.238 ( 0.000 5.304 -3.920) 6.595 2.312 ( 0.000 0.375 -2.572) 2.599 2.338 ( 0.000 1.378 -2.960) 3.265 2.393 ( 0.000 7.424 5.202) 9.066 2.448 ( 0.000 -0.613 1.661) 1.771 2.463 ( 0.000 -2.935 0.121) 2.937 2.473 ( 0.000 3.863 -2.080) 4.388 2.522 ( 0.000 -0.527 1.862) 1.935 2.533 ( 0.000 -0.103 -1.297) 1.301 2.577 ( 0.000 0.264 0.411) 0.489 2.580 ( 0.000 1.857 1.115) 2.166 2.667 ( 0.000 1.572 0.182) 1.583 2.712 ( 0.000 1.577 -3.449) 3.792 2.752 ( 0.000 -1.776 -2.715) 3.244 2.763 ( 0.000 -0.514 -4.721) 4.749 2.895 ( 0.000 1.989 0.609) 2.080 2.905 ( 0.000 2.283 -0.651) 2.374 2.949 ( 0.000 3.267 1.672) 3.670 2.988 ( 0.000 1.688 -1.515) 2.268 3.050 ( 0.000 0.936 3.918) 4.029 3.090 ( 0.000 0.754 -0.104) 0.761 3.135 ( 0.000 2.072 3.487) 4.056 3.179 ( 0.000 1.665 -1.967) 2.577 3.274 ( 0.000 0.890 0.110) 0.897 3.305 ( 0.000 0.468 -2.797) 2.836 3.340 ( 0.000 -2.420 3.315) 4.104 3.399 ( 0.000 -1.462 -2.065) 2.531 3.512 ( 0.000 -0.631 0.994) 1.177 3.520 ( 0.000 1.568 -0.912) 1.814 3.580 ( 0.000 -0.073 -2.049) 2.050 3.592 ( 0.000 1.285 -3.590) 3.813 3.680 ( 0.000 2.594 0.580) 2.658 3.708 ( 0.000 0.854 -2.186) 2.347 3.840 ( 0.000 1.856 -0.311) 1.882 3.857 ( 0.000 7.574 -1.273) 7.681 3.922 ( 0.000 3.107 -0.746) 3.195 3.922 ( 0.000 7.519 -1.589) 7.685 3.967 ( 0.000 0.144 -1.009) 1.019 3.982 ( 0.000 3.603 -1.693) 3.981 4.064 ( 0.000 -3.529 -0.809) 3.621 4.080 ( 0.000 -1.508 -1.513) 2.137 4.137 ( 0.000 -3.850 0.134) 3.852 4.174 ( 0.000 -1.731 -2.835) 3.322 4.317 ( 0.000 -1.508 1.034) 1.828 4.323 ( 0.000 -1.099 0.665) 1.285 4.397 ( 0.000 4.575 1.127) 4.711 4.405 ( 0.000 3.169 -0.586) 3.222 4.488 ( 0.000 1.395 2.873) 3.194 4.513 ( 0.000 1.677 0.747) 1.836 4.615 ( 0.000 -0.608 3.600) 3.651 4.654 ( 0.000 2.999 -1.156) 3.214 4.715 ( 0.000 -1.021 1.980) 2.228 4.728 ( 0.000 -1.316 -0.332) 1.357 4.871 ( 0.000 -0.574 -0.176) 0.600 4.875 ( 0.000 -0.757 0.711) 1.039 4.938 ( 0.000 -3.345 5.175) 6.162 5.024 ( 0.000 -1.967 -1.834) 2.690 5.151 ( 0.000 0.002 0.558) 0.558 5.174 ( 0.000 -2.166 -1.217) 2.484 5.236 ( 0.000 -4.957 1.515) 5.184 5.267 ( 0.000 -4.356 -2.693) 5.121 5.302 ( 0.000 -2.043 -0.063) 2.044 5.312 ( 0.000 -3.455 -0.600) 3.507 5.346 ( 0.000 -0.346 0.224) 0.412 5.389 ( 0.000 -2.640 -4.076) 4.857 5.523 ( 0.000 -3.964 1.247) 4.156 5.532 ( 0.000 -1.573 -0.873) 1.799 5.573 ( 0.000 -4.763 1.097) 4.887 5.595 ( 0.000 -2.037 -1.377) 2.459 5.701 ( 0.000 -1.052 -0.393) 1.122 5.701 ( 0.000 -0.607 -0.164) 0.628 5.784 ( 0.000 -2.148 4.849) 5.303 5.844 ( 0.000 0.556 -0.597) 0.816 5.982 ( 0.000 1.286 -0.652) 1.442 6.028 ( 0.000 2.614 -3.600) 4.449 6.116 ( 0.000 1.882 0.125) 1.886 6.119 ( 0.000 2.306 -0.073) 2.308 6.603 ( 0.000 1.125 2.208) 2.478 6.643 ( 0.000 -1.310 -1.996) 2.387 6.802 ( 0.000 -3.201 -0.516) 3.243 6.810 ( 0.000 -2.591 -1.328) 2.912 7.072 ( 0.000 3.022 2.945) 4.219 7.128 ( 0.000 1.498 -3.053) 3.400 7.240 ( 0.000 -1.558 2.707) 3.124 7.247 ( 0.000 -1.322 1.668) 2.129 7.441 ( 0.000 -2.357 1.587) 2.841 7.467 ( 0.000 0.047 -0.495) 0.497 7.587 ( 0.000 -0.852 2.028) 2.200 7.601 ( 0.000 0.028 -0.478) 0.479 7.744 ( 0.000 -1.466 1.436) 2.053 7.747 ( 0.000 -2.859 1.646) 3.299 7.819 ( 0.000 -2.226 3.745) 4.356 7.843 ( 0.000 -3.306 1.190) 3.514 7.881 ( 0.000 -0.899 0.412) 0.989 7.916 ( 0.000 0.506 -2.617) 2.666 8.061 ( 0.000 2.621 4.331) 5.063 8.081 ( 0.000 -1.491 2.157) 2.622 8.128 ( 0.000 -3.759 -1.564) 4.072 8.158 ( 0.000 -0.158 -1.551) 1.559 8.222 ( 0.000 -1.185 -1.123) 1.632 8.259 ( 0.000 0.484 -3.184) 3.221 8.806 ( 0.000 -1.187 2.944) 3.174 8.859 ( 0.000 -1.062 -1.777) 2.071 8.960 ( 0.000 -1.890 3.507) 3.984 9.030 ( 0.000 2.581 -1.674) 3.076 9.068 ( 0.000 -2.516 -3.488) 4.301 9.069 ( 0.000 -1.959 -0.757) 2.100 9.117 ( 0.000 -1.357 -2.464) 2.813 9.130 ( 0.000 -1.715 -2.512) 3.042 9.281 ( 0.000 -2.302 0.629) 2.386 9.325 ( 0.000 -1.796 -3.258) 3.720 9.431 ( 0.000 -3.041 2.377) 3.860 9.437 ( 0.000 -0.988 4.171) 4.286 9.498 ( 0.000 -0.124 0.348) 0.370 9.572 ( 0.000 2.424 -4.747) 5.331 9.630 ( 0.000 -1.195 0.600) 1.337 9.634 ( 0.000 0.401 0.200) 0.449 9.966 ( 0.000 3.632 3.600) 5.113 9.983 ( 0.000 1.299 2.063) 2.438 10.148 ( 0.000 0.109 -0.691) 0.699 10.154 ( 0.000 0.997 -1.614) 1.897 10.670 ( 0.000 1.821 3.288) 3.759 10.722 ( 0.000 2.517 -2.133) 3.299 10.760 ( 0.000 2.689 1.238) 2.961 10.801 ( 0.000 0.427 -2.976) 3.007 10.880 ( 0.000 -0.649 -0.548) 0.849 10.888 ( 0.000 1.565 -1.201) 1.973 11.070 ( 0.000 -1.936 1.879) 2.699 11.096 ( 0.000 -0.235 -1.131) 1.155 11.285 ( 0.000 0.226 0.940) 0.967 11.315 ( 0.000 1.180 -2.519) 2.781 11.509 ( 0.000 2.342 2.681) 3.560 11.555 ( 0.000 1.795 -2.416) 3.010 11.762 ( 0.000 0.584 0.313) 0.663 11.776 ( 0.000 -0.584 -0.551) 0.803 11.816 ( 0.000 0.065 5.130) 5.130 11.906 ( 0.000 -0.718 -3.887) 3.953 12.008 ( 0.000 -1.063 1.642) 1.956 12.044 ( 0.000 0.635 -1.912) 2.014 12.097 ( 0.000 0.462 -1.056) 1.152 12.099 ( 0.000 -0.130 -1.855) 1.860 13.265 ( 0.000 0.268 2.720) 2.733 13.267 ( 0.000 -0.421 2.296) 2.334 13.321 ( 0.000 -0.527 -1.966) 2.036 13.328 ( 0.000 0.300 -2.591) 2.609 13.563 ( 0.000 -1.927 1.446) 2.409 13.590 ( 0.000 -2.181 -1.345) 2.562 13.623 ( 0.000 -1.873 0.080) 1.875 13.623 ( 0.000 -2.264 0.300) 2.284 18.275 ( 0.000 -0.438 2.119) 2.164 18.319 ( 0.000 -3.400 -2.594) 4.277 18.418 ( 0.000 -1.089 2.956) 3.150 18.476 ( 0.000 -2.868 -3.271) 4.350 18.669 ( 0.000 1.261 1.337) 1.838 18.696 ( 0.000 1.996 -1.261) 2.362 18.754 ( 0.000 2.599 3.519) 4.374 18.826 ( 0.000 1.716 -3.338) 3.753 19.138 ( 0.000 -5.760 8.555) 10.314 19.226 ( 0.000 -7.126 0.609) 7.152 19.397 ( 0.000 -7.986 0.196) 7.988 19.411 ( 0.000 -8.003 -1.485) 8.140 19.597 ( 0.000 -5.149 1.079) 5.261 19.607 ( 0.000 -0.065 1.384) 1.385 19.702 ( 0.000 -0.380 -0.213) 0.435 19.722 ( 0.000 -7.292 -2.294) 7.644 20.055 ( 0.000 -5.038 4.191) 6.553 20.093 ( 0.000 -4.102 1.505) 4.369 20.265 ( 0.000 0.165 -1.358) 1.368 20.272 ( 0.000 -1.222 -1.050) 1.611 20.452 ( 0.000 0.829 2.186) 2.338 20.473 ( 0.000 4.258 -0.575) 4.296 20.534 ( 0.000 -4.613 0.011) 4.613 20.541 ( 0.000 -1.054 -1.534) 1.861 20.691 ( 0.000 -2.515 1.647) 3.006 20.727 ( 0.000 -2.477 -2.392) 3.443 20.904 ( 0.000 2.005 2.027) 2.851 20.915 ( 0.000 3.111 1.182) 3.328 20.955 ( 0.000 1.309 -1.036) 1.669 20.971 ( 0.000 -1.802 -2.832) 3.356 21.133 ( 0.000 0.437 0.493) 0.659 21.181 ( 0.000 -1.221 -3.815) 4.005 21.467 ( 0.000 -1.107 0.154) 1.117 21.478 ( 0.000 1.149 -1.029) 1.542 21.613 ( 0.000 -5.555 1.718) 5.814 21.642 ( 0.000 0.725 -0.730) 1.029 21.985 ( 0.000 4.321 -2.418) 4.952 21.998 ( 0.000 -1.945 -2.758) 3.375 22.190 ( 0.000 -2.795 -0.011) 2.795 22.209 ( 0.000 -2.482 -1.725) 3.023 22.331 ( 0.000 -2.881 1.449) 3.225 22.352 ( 0.000 -3.793 -1.052) 3.936 22.569 ( 0.000 1.858 2.080) 2.789 22.602 ( 0.000 0.130 -1.457) 1.463 22.859 ( 0.000 -5.403 3.165) 6.261 22.879 ( 0.000 -4.409 0.693) 4.463 22.960 ( 0.000 -3.913 4.891) 6.264 23.023 ( 0.000 -3.071 -2.137) 3.741 ======================= Grid point 61 (26/30) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -3.358 12.491 6.905) 14.663 1.058 ( -1.203 8.121 -8.087) 11.524 1.148 ( -4.456 8.328 10.013) 13.765 1.328 ( 3.851 8.243 -4.475) 10.139 1.366 ( 4.212 8.971 2.117) 10.134 1.499 ( 8.258 8.165 -6.041) 13.090 1.557 ( -2.503 8.953 6.013) 11.072 1.652 ( -1.480 5.380 -1.136) 5.694 1.735 ( 4.115 3.228 3.787) 6.457 1.751 ( 3.574 1.325 4.119) 5.612 1.842 ( 1.452 4.424 -0.168) 4.659 1.868 ( 0.787 3.295 0.791) 3.479 1.915 ( -2.026 4.265 2.518) 5.351 2.005 ( 1.944 3.054 -0.821) 3.712 2.030 ( -0.839 6.121 2.758) 6.766 2.077 ( -0.926 5.169 3.531) 6.328 2.114 ( -1.578 2.328 3.799) 4.726 2.142 ( -2.924 -0.066 1.300) 3.201 2.176 ( -0.820 5.251 -2.330) 5.803 2.224 ( -4.022 3.240 -3.441) 6.206 2.259 ( 0.393 2.497 1.117) 2.763 2.332 ( -0.022 4.954 -0.204) 4.958 2.354 ( -4.050 4.857 1.599) 6.524 2.398 ( -1.633 1.836 -1.542) 2.901 2.439 ( -1.091 2.401 -3.586) 4.451 2.478 ( -0.628 -0.019 -4.749) 4.790 2.539 ( 2.426 2.134 3.168) 4.525 2.566 ( 2.599 -3.399 0.618) 4.323 2.605 ( 0.525 0.029 0.883) 1.028 2.620 ( -1.822 0.701 1.596) 2.522 2.668 ( 0.369 -1.594 -0.755) 1.802 2.711 ( 2.717 1.568 -4.196) 5.238 2.743 ( 0.017 -0.424 0.218) 0.477 2.791 ( 1.953 1.096 -3.190) 3.898 2.835 ( -3.902 0.105 1.553) 4.201 2.862 ( -2.879 0.363 -0.751) 2.997 2.983 ( 2.844 0.012 1.214) 3.092 3.013 ( 1.669 1.925 -1.629) 3.025 3.049 ( -2.064 -0.959 0.710) 2.384 3.077 ( -1.391 -0.292 -1.277) 1.911 3.148 ( 2.157 1.486 3.706) 4.538 3.204 ( 2.048 3.139 -0.780) 3.828 3.248 ( -2.565 0.818 0.314) 2.711 3.283 ( -1.699 2.460 -1.314) 3.266 3.362 ( 1.473 -0.856 2.970) 3.424 3.409 ( 2.595 -0.324 -1.067) 2.824 3.490 ( -3.526 0.385 -1.850) 4.001 3.514 ( -1.536 2.282 -2.826) 3.944 3.580 ( 1.423 2.032 0.752) 2.592 3.632 ( 3.465 -0.818 -2.204) 4.187 3.683 ( -0.667 -0.429 -0.407) 0.891 3.726 ( 1.682 0.429 -2.825) 3.315 3.835 ( 0.341 5.375 1.481) 5.585 3.855 ( -0.816 4.987 0.895) 5.132 3.898 ( -0.906 5.724 0.699) 5.837 3.930 ( -1.926 4.640 -2.472) 5.599 3.934 ( -0.871 3.345 -3.656) 5.031 4.017 ( 1.921 0.276 -2.789) 3.397 4.048 ( -0.516 -0.750 -1.870) 2.080 4.063 ( -0.819 -1.132 -3.589) 3.851 4.148 ( 0.586 -2.745 2.409) 3.699 4.194 ( 1.185 -2.446 -1.585) 3.147 4.307 ( -0.912 -1.133 1.050) 1.794 4.318 ( -0.079 -1.518 0.357) 1.561 4.402 ( 0.705 3.535 1.601) 3.944 4.424 ( -0.104 3.443 -0.734) 3.521 4.475 ( -0.538 1.469 4.136) 4.422 4.536 ( 1.631 1.537 -1.340) 2.611 4.622 ( 0.992 -2.199 3.169) 3.983 4.656 ( 1.428 0.981 -0.201) 1.744 4.705 ( -1.387 -1.557 1.547) 2.596 4.731 ( -1.032 -2.056 -1.296) 2.641 4.850 ( -0.435 -0.975 1.573) 1.901 4.884 ( 0.548 -0.603 -1.400) 1.620 4.931 ( -0.735 -1.085 5.390) 5.547 5.005 ( -1.219 -1.084 -2.349) 2.860 5.152 ( 0.117 -1.742 2.156) 2.774 5.188 ( 0.637 -1.756 1.283) 2.266 5.214 ( -1.046 -3.108 0.372) 3.300 5.248 ( -1.125 -4.428 -2.281) 5.106 5.326 ( 3.083 -1.859 -0.423) 3.625 5.350 ( 1.876 -1.489 -2.140) 3.212 5.373 ( 0.641 -1.137 -1.709) 2.150 5.386 ( -0.399 -1.732 -3.019) 3.503 5.493 ( -1.084 -3.487 3.307) 4.927 5.525 ( -1.115 -3.831 2.235) 4.573 5.574 ( -0.161 -4.257 -1.621) 4.558 5.589 ( -0.380 -2.398 -3.545) 4.297 5.680 ( -0.279 -1.198 3.219) 3.446 5.741 ( 2.607 -0.424 -1.868) 3.235 5.776 ( -0.645 -1.078 2.259) 2.585 5.808 ( -3.273 0.310 -1.529) 3.626 5.996 ( 1.280 0.541 1.295) 1.899 6.057 ( 1.537 1.636 -4.035) 4.618 6.102 ( -0.750 2.115 1.610) 2.762 6.127 ( 0.180 1.795 -0.907) 2.019 6.632 ( 2.778 0.338 3.129) 4.198 6.672 ( 2.020 -1.443 0.392) 2.513 6.747 ( -3.243 -1.416 -1.265) 3.758 6.776 ( -3.390 -1.513 -4.201) 5.606 7.109 ( 2.783 0.394 4.489) 5.297 7.169 ( 3.108 0.545 -1.863) 3.664 7.213 ( -1.999 -0.071 1.090) 2.278 7.232 ( -1.848 -0.735 -0.275) 2.007 7.433 ( -0.005 -3.000 4.566) 5.463 7.503 ( 2.668 -0.004 -1.790) 3.213 7.562 ( -2.477 -0.250 1.566) 2.941 7.586 ( -0.780 0.351 -0.376) 0.935 7.743 ( 0.005 -2.501 3.081) 3.968 7.769 ( 1.288 -1.352 0.292) 1.890 7.816 ( -0.014 -3.709 3.465) 5.076 7.848 ( 0.514 -3.493 0.373) 3.551 7.872 ( -0.969 -1.955 1.289) 2.534 7.932 ( 1.427 0.333 -4.018) 4.277 7.997 ( -2.910 1.618 3.168) 4.596 8.063 ( -2.384 0.049 -2.831) 3.701 8.149 ( 2.711 -1.517 4.308) 5.311 8.182 ( -0.628 -1.458 3.293) 3.656 8.238 ( 1.548 -0.397 -3.915) 4.228 8.258 ( -0.184 0.095 -3.791) 3.797 8.820 ( 1.087 -1.525 4.478) 4.854 8.894 ( 2.921 -0.936 -2.158) 3.751 8.947 ( -1.662 -1.143 2.853) 3.494 9.017 ( -1.207 -0.939 0.785) 1.719 9.049 ( -0.148 -1.011 -4.970) 5.074 9.087 ( 1.032 -1.285 -3.420) 3.797 9.103 ( -0.947 -2.587 -1.029) 2.941 9.120 ( -1.169 0.200 -2.582) 2.842 9.281 ( -0.076 -2.236 0.047) 2.238 9.315 ( -0.445 -1.340 -2.971) 3.290 9.400 ( -1.234 -2.098 4.392) 5.022 9.459 ( 0.540 -2.666 0.402) 2.749 9.500 ( 0.259 0.799 2.138) 2.297 9.588 ( 1.200 1.417 -4.171) 4.566 9.618 ( -0.986 -0.685 0.702) 1.391 9.632 ( -0.170 0.434 -0.372) 0.596 10.003 ( 2.762 2.563 4.376) 5.775 10.024 ( 3.227 1.099 3.126) 4.626 10.114 ( -2.523 1.653 -1.452) 3.348 10.133 ( -2.123 0.643 -2.492) 3.337 10.691 ( 1.997 1.912 2.869) 3.984 10.728 ( -0.715 3.344 0.932) 3.544 10.748 ( 0.086 1.194 -1.295) 1.763 10.780 ( -1.557 2.155 -2.555) 3.687 10.893 ( 0.968 1.254 0.290) 1.610 10.924 ( 2.942 -1.482 -2.103) 3.909 11.011 ( -4.494 -0.063 2.274) 5.037 11.058 ( -2.458 -1.309 -2.069) 3.469 11.285 ( 0.359 0.925 2.186) 2.400 11.346 ( 1.408 1.132 -4.329) 4.691 11.500 ( -0.548 1.883 2.864) 3.471 11.544 ( -0.651 1.433 -2.110) 2.632 11.769 ( 1.173 0.310 2.981) 3.219 11.799 ( -1.108 0.113 3.441) 3.617 11.810 ( 1.805 -0.600 -1.058) 2.177 11.884 ( -1.669 -0.335 -3.799) 4.163 12.032 ( 1.503 -0.949 1.041) 2.060 12.052 ( 0.751 0.161 -0.318) 0.831 12.077 ( -1.224 0.600 -1.130) 1.770 12.109 ( 0.292 -0.085 -2.916) 2.932 13.265 ( 0.017 -0.411 2.901) 2.930 13.272 ( 0.267 0.019 2.793) 2.805 13.320 ( -0.149 -0.059 -2.651) 2.656 13.326 ( -0.072 0.399 -2.639) 2.670 13.567 ( 0.353 -2.035 1.558) 2.587 13.596 ( 0.446 -2.309 -1.312) 2.693 13.610 ( -0.611 -2.041 1.197) 2.444 13.632 ( 0.231 -2.552 -0.921) 2.723 18.288 ( 1.070 -0.346 3.470) 3.648 18.356 ( 3.218 -3.653 -3.337) 5.902 18.383 ( -2.069 -0.301 2.113) 2.972 18.439 ( -3.426 -2.844 -3.819) 5.867 18.687 ( 0.624 2.761 2.108) 3.529 18.717 ( 2.605 1.453 1.579) 3.374 18.764 ( -0.211 2.541 -0.585) 2.616 18.811 ( -1.143 1.844 -2.999) 3.702 19.187 ( 4.309 -8.542 9.685) 13.614 19.247 ( 1.616 -7.206 4.533) 8.665 19.365 ( -2.721 -8.136 -1.758) 8.758 19.410 ( -1.102 -8.545 -6.314) 10.682 19.577 ( -0.442 -3.184 4.054) 5.174 19.616 ( -1.867 -2.715 1.962) 3.835 19.631 ( -0.964 -1.279 1.101) 1.944 19.713 ( -2.021 -6.179 -6.430) 9.144 20.087 ( 2.734 -3.284 6.855) 8.078 20.145 ( 2.859 -3.029 3.876) 5.690 20.226 ( -2.497 -1.189 -1.662) 3.227 20.275 ( -0.254 -0.635 -3.710) 3.772 20.460 ( -0.010 2.002 0.692) 2.118 20.466 ( 0.161 1.327 1.338) 1.892 20.510 ( -1.153 0.229 -2.403) 2.675 20.522 ( -1.382 -0.490 -2.515) 2.911 20.753 ( 5.010 -3.911 2.562) 6.853 20.770 ( 2.867 -4.503 0.450) 5.357 20.862 ( -4.550 0.217 4.213) 6.205 20.922 ( 0.284 -0.875 -2.309) 2.486 20.941 ( 0.465 2.455 -2.285) 3.386 20.980 ( -0.036 1.031 -3.847) 3.983 21.108 ( -1.411 0.404 3.024) 3.361 21.187 ( -0.226 0.376 -4.182) 4.205 21.446 ( -0.229 0.556 2.789) 2.853 21.509 ( 1.333 0.140 -3.671) 3.908 21.587 ( -1.760 -6.154 2.926) 7.038 21.636 ( -0.415 0.462 -1.530) 1.651 21.987 ( 0.133 4.495 -1.880) 4.874 22.020 ( 1.507 -1.591 -4.595) 5.091 22.188 ( -0.198 -2.366 1.427) 2.770 22.221 ( 0.745 -2.597 -1.870) 3.286 22.313 ( -1.116 -2.938 1.318) 3.408 22.340 ( -0.806 -3.675 -1.452) 4.033 22.547 ( -1.141 0.917 3.561) 3.850 22.602 ( -0.122 -0.044 -2.499) 2.502 22.890 ( 2.577 -4.417 3.922) 6.444 22.923 ( 2.824 -4.547 1.253) 5.497 22.943 ( -0.960 -3.845 3.056) 5.005 22.997 ( -2.579 -3.159 -1.919) 4.507 ======================= Grid point 63 (27/30) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 11.029 0.344) 11.034 1.284 ( 0.000 10.498 -1.372) 10.588 1.410 ( 0.000 14.343 3.291) 14.716 1.437 ( 0.000 10.020 0.074) 10.020 1.556 ( 0.000 11.984 1.106) 12.035 1.587 ( 0.000 9.136 -3.541) 9.798 1.654 ( 0.000 6.532 -2.816) 7.113 1.668 ( 0.000 3.847 -3.399) 5.134 1.771 ( 0.000 3.397 2.969) 4.512 1.829 ( 0.000 3.288 -2.177) 3.943 1.910 ( 0.000 3.306 4.260) 5.392 1.918 ( 0.000 -0.429 0.793) 0.902 2.007 ( 0.000 0.834 4.007) 4.092 2.047 ( 0.000 -2.051 -2.597) 3.309 2.089 ( 0.000 0.575 1.868) 1.955 2.103 ( 0.000 0.031 2.344) 2.344 2.208 ( 0.000 3.858 0.063) 3.859 2.219 ( 0.000 4.231 -0.983) 4.344 2.258 ( 0.000 2.779 2.825) 3.963 2.293 ( 0.000 -1.037 -0.125) 1.044 2.347 ( 0.000 0.281 0.682) 0.737 2.351 ( 0.000 1.175 0.315) 1.217 2.418 ( 0.000 0.598 0.281) 0.661 2.434 ( 0.000 -2.299 -0.526) 2.358 2.470 ( 0.000 -0.227 0.352) 0.418 2.480 ( 0.000 -3.120 -0.467) 3.154 2.517 ( 0.000 0.447 2.325) 2.368 2.538 ( 0.000 2.757 2.417) 3.667 2.608 ( 0.000 1.102 2.285) 2.537 2.630 ( 0.000 -0.554 -1.705) 1.793 2.683 ( 0.000 3.260 1.992) 3.820 2.707 ( 0.000 0.091 1.085) 1.089 2.744 ( 0.000 -0.768 -1.777) 1.936 2.775 ( 0.000 2.204 -4.931) 5.402 2.927 ( 0.000 1.713 1.321) 2.164 2.944 ( 0.000 0.644 1.410) 1.550 2.986 ( 0.000 -0.988 0.750) 1.240 3.009 ( 0.000 0.291 -0.376) 0.475 3.078 ( 0.000 0.997 0.327) 1.049 3.094 ( 0.000 1.038 -0.327) 1.088 3.180 ( 0.000 -0.467 1.687) 1.751 3.202 ( 0.000 -0.969 -0.903) 1.324 3.291 ( 0.000 2.676 -1.870) 3.264 3.319 ( 0.000 0.073 -4.926) 4.927 3.394 ( 0.000 6.310 0.982) 6.386 3.404 ( 0.000 8.169 -0.516) 8.186 3.501 ( 0.000 0.677 3.141) 3.213 3.522 ( 0.000 -0.758 0.113) 0.766 3.585 ( 0.000 -1.853 -1.284) 2.254 3.602 ( 0.000 0.723 -2.020) 2.145 3.752 ( 0.000 1.655 -1.587) 2.294 3.754 ( 0.000 1.712 -1.813) 2.494 3.862 ( 0.000 0.484 -1.292) 1.379 3.892 ( 0.000 0.336 -3.503) 3.520 3.940 ( 0.000 -3.346 1.737) 3.770 3.962 ( 0.000 -1.708 0.260) 1.728 3.993 ( 0.000 1.227 2.536) 2.818 4.046 ( 0.000 1.083 -2.891) 3.087 4.087 ( 0.000 6.899 -1.619) 7.087 4.091 ( 0.000 4.382 -1.637) 4.678 4.218 ( 0.000 8.589 0.023) 8.589 4.246 ( 0.000 6.461 -2.055) 6.780 4.290 ( 0.000 -0.836 -0.051) 0.837 4.297 ( 0.000 -0.340 -0.502) 0.607 4.456 ( 0.000 0.242 4.924) 4.929 4.493 ( 0.000 3.839 1.603) 4.160 4.526 ( 0.000 1.341 0.820) 1.572 4.533 ( 0.000 -0.010 0.164) 0.164 4.590 ( 0.000 -0.935 4.636) 4.729 4.666 ( 0.000 -2.006 -0.630) 2.102 4.700 ( 0.000 -0.385 -0.776) 0.866 4.707 ( 0.000 2.006 -4.148) 4.607 4.861 ( 0.000 -1.235 5.929) 6.056 4.884 ( 0.000 1.642 0.365) 1.682 4.917 ( 0.000 1.953 2.199) 2.941 4.990 ( 0.000 -0.776 -1.277) 1.494 5.103 ( 0.000 -5.370 -1.108) 5.483 5.106 ( 0.000 -6.264 -1.265) 6.390 5.155 ( 0.000 -4.039 -1.529) 4.319 5.162 ( 0.000 -0.083 -1.369) 1.372 5.238 ( 0.000 -4.305 -0.523) 4.337 5.260 ( 0.000 -2.943 -1.799) 3.449 5.357 ( 0.000 1.000 0.230) 1.026 5.369 ( 0.000 0.473 -1.451) 1.526 5.441 ( 0.000 -3.607 0.573) 3.653 5.445 ( 0.000 -5.986 1.278) 6.120 5.482 ( 0.000 -4.354 -0.183) 4.358 5.528 ( 0.000 -3.535 -3.932) 5.287 5.688 ( 0.000 -0.569 2.446) 2.512 5.709 ( 0.000 0.981 -0.070) 0.984 5.742 ( 0.000 -1.471 3.264) 3.580 5.820 ( 0.000 -2.913 -3.894) 4.863 6.017 ( 0.000 2.241 2.421) 3.299 6.071 ( 0.000 1.339 -2.267) 2.633 6.139 ( 0.000 0.447 0.885) 0.991 6.152 ( 0.000 0.569 -0.256) 0.624 6.613 ( 0.000 -1.397 1.925) 2.378 6.628 ( 0.000 1.340 0.777) 1.549 6.752 ( 0.000 -1.868 -0.902) 2.075 6.760 ( 0.000 -2.264 -2.167) 3.134 7.116 ( 0.000 1.347 2.241) 2.615 7.137 ( 0.000 -0.381 -0.517) 0.642 7.228 ( 0.000 -0.841 1.567) 1.778 7.235 ( 0.000 0.839 0.984) 1.293 7.399 ( 0.000 -1.107 3.137) 3.327 7.461 ( 0.000 -0.001 -2.134) 2.134 7.566 ( 0.000 -1.298 2.459) 2.780 7.594 ( 0.000 -0.016 -1.978) 1.978 7.679 ( 0.000 -4.215 0.480) 4.242 7.686 ( 0.000 -3.204 0.122) 3.207 7.770 ( 0.000 -2.345 2.028) 3.100 7.774 ( 0.000 -3.387 1.459) 3.688 7.858 ( 0.000 -0.991 0.112) 0.998 7.894 ( 0.000 -2.498 -3.046) 3.939 8.020 ( 0.000 -3.578 1.617) 3.926 8.052 ( 0.000 -2.533 -1.378) 2.884 8.143 ( 0.000 3.801 2.906) 4.784 8.180 ( 0.000 1.448 3.061) 3.387 8.205 ( 0.000 -0.747 -0.617) 0.969 8.269 ( 0.000 0.298 -4.041) 4.052 8.791 ( 0.000 0.179 0.471) 0.504 8.812 ( 0.000 -2.890 -1.705) 3.355 8.942 ( 0.000 -0.129 1.919) 1.924 8.980 ( 0.000 -4.608 -1.487) 4.842 9.039 ( 0.000 -0.137 1.495) 1.501 9.072 ( 0.000 1.717 -2.734) 3.228 9.116 ( 0.000 0.428 -1.658) 1.712 9.143 ( 0.000 1.248 -3.293) 3.521 9.251 ( 0.000 -0.639 0.245) 0.684 9.290 ( 0.000 -1.542 -2.439) 2.886 9.356 ( 0.000 -3.908 1.919) 4.354 9.382 ( 0.000 -3.509 -0.556) 3.553 9.521 ( 0.000 1.460 5.136) 5.339 9.599 ( 0.000 -1.592 2.285) 2.785 9.607 ( 0.000 0.805 -3.049) 3.153 9.634 ( 0.000 0.197 -2.021) 2.030 9.990 ( 0.000 -0.549 4.788) 4.820 10.032 ( 0.000 2.534 1.529) 2.959 10.141 ( 0.000 -0.807 -0.284) 0.855 10.171 ( 0.000 0.691 -2.308) 2.409 10.701 ( 0.000 1.286 3.315) 3.556 10.757 ( 0.000 0.931 -1.916) 2.131 10.783 ( 0.000 0.088 -1.261) 1.264 10.786 ( 0.000 -1.252 -0.914) 1.550 10.916 ( 0.000 2.982 1.015) 3.150 10.937 ( 0.000 2.417 -0.885) 2.574 11.047 ( 0.000 -0.512 3.122) 3.164 11.095 ( 0.000 -0.066 -1.805) 1.807 11.300 ( 0.000 1.292 1.621) 2.073 11.345 ( 0.000 1.738 -3.085) 3.541 11.512 ( 0.000 -1.427 1.989) 2.447 11.552 ( 0.000 -1.208 -2.436) 2.719 11.773 ( 0.000 0.066 1.391) 1.392 11.788 ( 0.000 1.446 -1.009) 1.764 11.817 ( 0.000 0.224 4.215) 4.221 11.884 ( 0.000 -1.187 -2.525) 2.790 12.004 ( 0.000 0.456 3.107) 3.140 12.057 ( 0.000 0.429 -0.371) 0.567 12.108 ( 0.000 0.507 -2.879) 2.923 12.111 ( 0.000 1.083 -5.228) 5.339 13.259 ( 0.000 -0.313 3.291) 3.306 13.263 ( 0.000 -0.436 3.660) 3.686 13.316 ( 0.000 -0.027 -2.701) 2.701 13.327 ( 0.000 -0.307 -3.183) 3.198 13.530 ( 0.000 -1.108 1.115) 1.572 13.552 ( 0.000 -1.423 -1.128) 1.816 13.575 ( 0.000 -2.236 0.665) 2.333 13.581 ( 0.000 -2.010 -0.094) 2.012 18.275 ( 0.000 -0.841 0.958) 1.275 18.297 ( 0.000 2.356 -1.422) 2.752 18.401 ( 0.000 -3.858 -0.121) 3.860 18.408 ( 0.000 0.234 -0.918) 0.947 18.712 ( 0.000 2.916 2.400) 3.777 18.745 ( 0.000 2.199 -1.017) 2.423 18.835 ( 0.000 4.406 1.835) 4.773 18.877 ( 0.000 2.220 -1.503) 2.681 19.037 ( 0.000 -3.049 5.464) 6.257 19.100 ( 0.000 -4.597 0.797) 4.665 19.258 ( 0.000 -6.178 -1.047) 6.266 19.278 ( 0.000 -3.408 -3.367) 4.790 19.487 ( 0.000 -6.206 3.316) 7.037 19.572 ( 0.000 -3.846 -4.980) 6.292 19.584 ( 0.000 -6.151 4.090) 7.387 19.681 ( 0.000 -2.417 -5.725) 6.214 19.932 ( 0.000 -5.636 5.350) 7.771 19.966 ( 0.000 -7.050 1.468) 7.201 20.202 ( 0.000 -5.750 1.078) 5.850 20.206 ( 0.000 -4.467 0.340) 4.480 20.429 ( 0.000 -0.498 2.498) 2.547 20.460 ( 0.000 0.197 -1.126) 1.143 20.589 ( 0.000 3.971 -0.149) 3.973 20.595 ( 0.000 5.686 -0.911) 5.759 20.679 ( 0.000 0.227 2.105) 2.117 20.707 ( 0.000 -1.036 -1.026) 1.458 20.877 ( 0.000 -3.721 1.686) 4.085 20.908 ( 0.000 -2.112 -1.317) 2.489 20.961 ( 0.000 0.957 -0.118) 0.965 20.993 ( 0.000 2.774 -2.533) 3.757 21.170 ( 0.000 1.618 -1.013) 1.909 21.180 ( 0.000 0.005 -1.007) 1.007 21.442 ( 0.000 -1.153 4.067) 4.227 21.505 ( 0.000 1.385 -3.118) 3.412 21.538 ( 0.000 -1.774 1.050) 2.062 21.625 ( 0.000 -1.745 -7.133) 7.344 22.024 ( 0.000 3.371 2.659) 4.293 22.084 ( 0.000 4.008 -4.039) 5.690 22.160 ( 0.000 0.146 0.432) 0.456 22.180 ( 0.000 0.420 -1.921) 1.966 22.263 ( 0.000 -3.145 0.557) 3.194 22.267 ( 0.000 -4.030 -0.169) 4.033 22.575 ( 0.000 -3.078 1.294) 3.339 22.580 ( 0.000 -1.157 0.508) 1.264 22.756 ( 0.000 -3.854 4.017) 5.567 22.801 ( 0.000 -2.647 -1.179) 2.898 22.881 ( 0.000 -3.788 4.634) 5.985 22.948 ( 0.000 -3.956 -2.629) 4.750 ======================= Grid point 64 (28/30) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -3.020 15.029 1.932) 15.451 1.272 ( -1.659 12.029 -6.336) 13.696 1.402 ( -0.867 14.779 6.777) 16.282 1.514 ( 2.750 9.490 -3.364) 10.438 1.584 ( 3.804 9.162 2.300) 10.183 1.649 ( 5.634 4.343 -1.808) 7.340 1.703 ( 1.606 6.791 0.699) 7.013 1.728 ( 3.116 2.921 1.274) 4.457 1.779 ( 2.186 3.346 -2.384) 4.654 1.800 ( -1.857 1.373 -3.088) 3.856 1.884 ( -3.977 1.313 2.516) 4.886 1.913 ( -1.213 2.080 2.836) 3.720 1.978 ( -2.561 1.490 -2.525) 3.893 2.008 ( 0.384 2.499 -1.430) 2.905 2.102 ( 0.902 1.328 6.293) 6.494 2.142 ( 2.210 -0.072 2.271) 3.169 2.182 ( -2.090 3.824 2.416) 4.982 2.214 ( 0.400 3.006 -0.109) 3.035 2.242 ( -1.925 1.407 -0.274) 2.400 2.281 ( -1.239 0.819 -2.473) 2.885 2.338 ( 0.585 1.215 0.867) 1.603 2.369 ( -0.523 -2.427 -1.193) 2.755 2.398 ( -2.083 1.754 1.673) 3.196 2.422 ( 0.788 0.675 0.472) 1.140 2.469 ( -0.686 1.785 2.699) 3.308 2.499 ( 2.689 -1.327 2.119) 3.672 2.521 ( 2.848 0.279 -1.495) 3.229 2.562 ( 0.569 -0.013 -3.507) 3.553 2.593 ( -1.182 -0.887 2.188) 2.641 2.619 ( -3.647 -1.579 -0.572) 4.015 2.684 ( -1.625 1.437 2.760) 3.511 2.706 ( -0.004 -2.513 1.326) 2.842 2.750 ( 3.668 2.002 1.685) 4.506 2.819 ( 2.226 1.793 -3.648) 4.634 2.854 ( -2.884 1.903 0.755) 3.537 2.881 ( -4.384 0.799 -1.056) 4.579 2.997 ( -0.974 -0.071 3.442) 3.578 3.030 ( -1.206 2.741 1.980) 3.590 3.053 ( 1.735 1.306 -1.539) 2.662 3.095 ( -1.090 1.642 -3.253) 3.804 3.159 ( 0.199 2.380 0.856) 2.537 3.211 ( -0.858 0.911 -3.687) 3.894 3.287 ( 0.791 0.733 1.005) 1.475 3.315 ( -0.510 -1.105 -0.830) 1.474 3.410 ( 2.466 4.097 2.229) 5.276 3.460 ( 2.663 4.585 -0.123) 5.303 3.510 ( -1.485 0.812 0.422) 1.744 3.565 ( 0.055 2.328 -2.192) 3.198 3.594 ( 2.742 -0.612 -0.534) 2.860 3.613 ( 4.316 0.192 -1.847) 4.698 3.699 ( -3.945 1.913 -1.449) 4.618 3.725 ( -3.455 0.208 -3.211) 4.721 3.859 ( 0.757 -1.584 0.907) 1.976 3.904 ( -0.995 0.854 -0.025) 1.312 3.915 ( -0.445 -2.582 -2.243) 3.449 3.933 ( -1.145 -2.192 0.291) 2.490 4.035 ( 0.229 2.139 -0.719) 2.269 4.057 ( 1.772 0.434 -1.339) 2.263 4.100 ( 2.171 5.604 -0.570) 6.036 4.118 ( 1.514 5.201 -2.073) 5.800 4.197 ( -1.995 6.156 1.083) 6.561 4.233 ( -1.228 5.739 -1.994) 6.199 4.274 ( -1.248 0.200 1.339) 1.841 4.305 ( 0.816 1.195 -1.476) 2.067 4.464 ( 1.040 1.392 4.057) 4.413 4.505 ( 0.208 2.576 4.530) 5.216 4.511 ( -0.134 1.546 0.011) 1.552 4.565 ( 1.232 1.815 0.897) 2.370 4.583 ( -0.379 -0.457 3.306) 3.359 4.653 ( -0.354 -3.121 -0.300) 3.155 4.676 ( -1.796 1.188 -3.074) 3.753 4.703 ( -0.465 0.659 -3.812) 3.896 4.846 ( -0.365 0.807 2.520) 2.671 4.889 ( 0.277 0.073 -0.131) 0.315 4.919 ( -0.510 0.223 4.687) 4.720 4.986 ( -0.151 -0.577 -0.948) 1.120 5.107 ( 0.681 -2.696 0.735) 2.876 5.119 ( 0.526 -6.252 -1.233) 6.394 5.134 ( -0.283 -3.811 -1.882) 4.259 5.163 ( -1.148 -2.239 -2.640) 3.647 5.280 ( 3.799 -3.266 0.281) 5.017 5.305 ( 2.878 -3.156 -1.045) 4.398 5.351 ( -1.134 -1.261 -0.147) 1.702 5.363 ( -1.618 -2.022 0.157) 2.594 5.418 ( 0.987 -2.148 1.775) 2.956 5.452 ( -1.529 -3.696 1.410) 4.241 5.487 ( 0.478 -3.473 -2.355) 4.223 5.522 ( -0.271 -3.735 -4.980) 6.231 5.663 ( -1.033 -0.278 3.848) 3.994 5.733 ( 1.429 -0.299 -1.656) 2.207 5.750 ( 0.221 -1.296 1.492) 1.988 5.794 ( -1.937 -1.613 -2.544) 3.582 6.017 ( 0.101 1.699 3.460) 3.856 6.087 ( 1.056 1.076 -2.937) 3.301 6.122 ( -1.127 0.038 1.901) 2.210 6.153 ( -0.168 0.389 -1.088) 1.168 6.636 ( 2.106 -0.603 3.153) 3.839 6.649 ( 1.434 0.006 2.187) 2.616 6.718 ( -2.285 -1.165 -1.166) 2.817 6.752 ( -1.055 -1.129 -4.456) 4.716 7.111 ( 0.093 0.060 3.764) 3.765 7.167 ( 1.847 -0.329 -2.279) 2.952 7.209 ( -1.088 -1.004 1.174) 1.889 7.227 ( -1.046 0.175 -0.050) 1.062 7.390 ( -0.222 -0.402 6.348) 6.365 7.499 ( 2.714 0.019 -3.333) 4.298 7.549 ( -1.844 -0.745 1.465) 2.470 7.586 ( -0.286 -0.372 -1.450) 1.524 7.687 ( 0.579 -2.859 1.909) 3.487 7.710 ( 1.704 -4.075 1.046) 4.539 7.746 ( -1.292 -3.249 0.301) 3.510 7.774 ( -0.566 -3.496 -0.621) 3.595 7.842 ( -1.013 -0.570 2.333) 2.606 7.914 ( 1.342 -1.612 -4.714) 5.160 7.993 ( -1.386 -2.314 1.588) 3.130 8.029 ( -1.610 -2.894 -1.897) 3.816 8.158 ( 1.246 1.747 4.745) 5.208 8.178 ( -0.698 0.881 4.992) 5.117 8.237 ( 2.325 0.200 -3.105) 3.884 8.265 ( -0.572 0.424 -4.189) 4.249 8.791 ( 0.482 -0.991 3.400) 3.574 8.858 ( 3.537 -2.046 -2.391) 4.734 8.918 ( -2.387 -2.000 0.139) 3.117 8.942 ( -2.458 -2.650 -1.465) 3.900 9.059 ( 1.652 0.299 0.420) 1.730 9.086 ( 0.364 0.590 -2.044) 2.158 9.100 ( -0.249 2.001 -1.967) 2.817 9.142 ( -0.985 1.386 -3.511) 3.901 9.249 ( -0.139 -1.133 0.846) 1.421 9.289 ( 0.221 -1.267 -2.519) 2.828 9.338 ( -1.182 -3.529 3.235) 4.931 9.386 ( 0.202 -4.013 -1.315) 4.227 9.523 ( 0.200 1.236 5.314) 5.459 9.588 ( -0.351 -1.196 2.420) 2.722 9.619 ( 0.422 0.587 -3.658) 3.728 9.632 ( -0.178 -0.007 -2.101) 2.108 10.021 ( 2.686 -0.392 5.226) 5.889 10.055 ( 0.856 1.498 4.021) 4.376 10.122 ( -0.802 -0.442 -2.175) 2.360 10.154 ( -1.727 0.782 -3.110) 3.642 10.716 ( 1.132 0.808 1.970) 2.411 10.751 ( -0.137 0.246 -1.383) 1.412 10.767 ( -1.237 0.018 1.130) 1.675 10.807 ( 1.208 0.197 -1.809) 2.184 10.934 ( 1.371 2.224 0.514) 2.663 10.948 ( 1.549 2.993 -0.562) 3.416 11.017 ( -2.948 0.481 1.815) 3.496 11.047 ( -2.945 0.136 -0.910) 3.085 11.315 ( 1.075 1.958 1.920) 2.945 11.373 ( 1.685 1.653 -4.090) 4.722 11.494 ( -1.159 -1.865 2.058) 3.010 11.533 ( -1.294 -1.766 -2.155) 3.072 11.785 ( 1.079 0.552 1.991) 2.331 11.802 ( 0.433 0.539 1.001) 1.216 11.809 ( -0.327 0.370 1.833) 1.898 11.871 ( -0.845 -0.861 -2.378) 2.666 12.025 ( 1.532 0.139 2.592) 3.014 12.051 ( -0.637 -0.026 1.649) 1.768 12.104 ( -0.206 1.396 -5.102) 5.294 12.115 ( 0.177 0.554 -4.576) 4.613 13.256 ( -0.128 -0.376 3.561) 3.583 13.268 ( 0.231 -0.403 3.491) 3.521 13.317 ( 0.096 -0.135 -3.064) 3.069 13.328 ( 0.084 -0.155 -2.999) 3.004 13.533 ( 0.215 -1.191 1.204) 1.707 13.555 ( 0.252 -1.540 -1.082) 1.899 13.568 ( -0.495 -1.995 0.991) 2.282 13.581 ( -0.065 -2.188 -0.480) 2.241 18.293 ( 1.396 -0.791 0.825) 1.804 18.315 ( 1.462 1.349 -1.474) 2.476 18.366 ( -2.213 -1.881 1.564) 3.299 18.409 ( -0.551 0.173 -2.864) 2.922 18.746 ( 1.386 2.799 1.085) 3.306 18.754 ( 2.400 2.054 1.073) 3.336 18.816 ( -2.354 2.283 1.385) 3.560 18.862 ( -1.024 2.519 -2.546) 3.725 19.059 ( 1.906 -3.474 7.963) 8.895 19.128 ( 2.365 -4.065 3.569) 5.904 19.237 ( -1.474 -4.770 -2.881) 5.764 19.263 ( -2.153 -5.003 -6.631) 8.582 19.483 ( -0.429 -5.578 2.928) 6.314 19.527 ( -1.392 -4.862 4.790) 6.966 19.580 ( -0.957 -5.562 -4.638) 7.305 19.634 ( -2.466 -2.002 -4.717) 5.687 19.994 ( 3.923 -4.351 5.801) 8.245 20.045 ( 5.986 -5.870 2.078) 8.637 20.151 ( -4.440 -4.969 1.464) 6.822 20.199 ( -0.948 -6.558 -1.771) 6.859 20.436 ( 0.443 -0.464 1.842) 1.950 20.475 ( 1.060 -0.359 -1.961) 2.258 20.563 ( -1.392 3.883 1.528) 4.399 20.592 ( -0.531 5.005 -1.658) 5.299 20.720 ( 4.126 -0.096 2.198) 4.676 20.748 ( 2.999 0.860 -0.962) 3.264 20.820 ( -4.761 -2.900 1.735) 5.839 20.859 ( -3.616 -2.502 -1.761) 4.737 20.967 ( 0.383 0.704 1.521) 1.719 21.027 ( 2.161 2.135 -4.238) 5.214 21.133 ( -2.134 0.326 2.061) 2.985 21.192 ( -0.098 -0.734 -3.300) 3.382 21.456 ( 1.797 0.092 3.695) 4.110 21.500 ( -1.638 -0.457 2.303) 2.863 21.527 ( 0.000 0.304 -3.151) 3.166 21.621 ( -0.261 -1.490 -7.836) 7.981 22.051 ( 1.915 3.785 1.853) 4.629 22.103 ( 1.433 4.981 -3.851) 6.457 22.151 ( -0.917 -0.992 0.956) 1.655 22.176 ( -0.432 -1.249 -1.666) 2.126 22.251 ( -0.464 -2.277 0.666) 2.417 22.267 ( -0.178 -2.670 -0.793) 2.791 22.535 ( -1.776 -2.329 3.338) 4.441 22.579 ( -0.614 -2.516 -1.591) 3.039 22.791 ( 2.439 -4.270 4.623) 6.750 22.840 ( 2.616 -3.218 0.242) 4.154 22.867 ( -0.939 -3.534 2.658) 4.521 22.926 ( -1.963 -3.580 -2.431) 4.752 ======================= Grid point 66 (29/30) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 9.394 -0.683) 9.419 1.501 ( 0.000 10.195 -1.701) 10.336 1.595 ( 0.000 6.151 0.229) 6.156 1.619 ( 0.000 4.827 -1.776) 5.143 1.689 ( 0.000 -0.950 0.023) 0.950 1.693 ( 0.000 -0.851 0.985) 1.302 1.765 ( 0.000 -5.237 -2.460) 5.786 1.780 ( 0.000 -6.495 -3.224) 7.251 1.820 ( 0.000 7.486 0.678) 7.516 1.828 ( 0.000 11.656 -0.352) 11.662 1.953 ( 0.000 3.293 0.278) 3.304 1.961 ( 0.000 4.426 -0.139) 4.428 2.036 ( 0.000 2.267 0.247) 2.280 2.043 ( 0.000 0.909 -0.222) 0.935 2.123 ( 0.000 2.863 5.030) 5.788 2.130 ( 0.000 3.383 4.037) 5.267 2.212 ( 0.000 -6.494 -0.977) 6.567 2.213 ( 0.000 -6.240 1.009) 6.321 2.235 ( 0.000 -1.989 -0.219) 2.001 2.271 ( 0.000 -4.197 -0.842) 4.281 2.339 ( 0.000 0.030 2.197) 2.197 2.353 ( 0.000 3.407 0.263) 3.417 2.381 ( 0.000 -2.992 2.206) 3.717 2.408 ( 0.000 -1.094 -0.715) 1.307 2.468 ( 0.000 3.584 0.469) 3.615 2.485 ( 0.000 2.455 -1.263) 2.761 2.529 ( 0.000 0.848 3.370) 3.475 2.573 ( 0.000 0.879 -1.011) 1.340 2.606 ( 0.000 -0.622 2.419) 2.498 2.618 ( 0.000 -0.043 0.625) 0.626 2.656 ( 0.000 -4.782 2.584) 5.435 2.678 ( 0.000 -4.815 -0.421) 4.833 2.802 ( 0.000 6.584 0.926) 6.648 2.836 ( 0.000 3.898 -2.274) 4.513 2.914 ( 0.000 -2.149 2.254) 3.114 2.932 ( 0.000 -4.562 -0.343) 4.575 2.982 ( 0.000 -1.502 2.055) 2.546 3.016 ( 0.000 2.446 -1.262) 2.752 3.061 ( 0.000 -1.334 -0.549) 1.443 3.080 ( 0.000 -4.299 -2.533) 4.989 3.168 ( 0.000 3.594 0.224) 3.601 3.216 ( 0.000 3.005 -4.759) 5.628 3.355 ( 0.000 1.104 -0.025) 1.105 3.378 ( 0.000 2.065 -2.327) 3.111 3.469 ( 0.000 -0.858 1.964) 2.143 3.498 ( 0.000 1.230 -0.515) 1.333 3.552 ( 0.000 2.599 2.535) 3.630 3.566 ( 0.000 1.321 0.503) 1.414 3.612 ( 0.000 3.666 -0.551) 3.707 3.616 ( 0.000 6.674 -0.771) 6.719 3.724 ( 0.000 -3.514 -0.662) 3.576 3.750 ( 0.000 -2.029 -3.241) 3.824 3.858 ( 0.000 0.916 -0.428) 1.011 3.868 ( 0.000 -2.059 -0.819) 2.216 3.936 ( 0.000 -2.372 -0.941) 2.552 3.947 ( 0.000 1.454 -3.338) 3.641 4.043 ( 0.000 4.512 3.753) 5.869 4.092 ( 0.000 3.315 -1.955) 3.848 4.138 ( 0.000 -2.845 0.695) 2.929 4.156 ( 0.000 1.270 -0.430) 1.341 4.281 ( 0.000 2.106 1.146) 2.397 4.286 ( 0.000 -0.352 0.072) 0.359 4.346 ( 0.000 -1.342 0.154) 1.351 4.354 ( 0.000 2.563 -2.189) 3.371 4.472 ( 0.000 3.509 2.144) 4.112 4.513 ( 0.000 -0.887 2.381) 2.541 4.514 ( 0.000 0.317 -1.164) 1.207 4.533 ( 0.000 -0.194 0.901) 0.922 4.614 ( 0.000 1.192 4.374) 4.533 4.681 ( 0.000 1.789 -0.233) 1.804 4.700 ( 0.000 0.161 3.837) 3.840 4.742 ( 0.000 1.523 -1.001) 1.822 4.834 ( 0.000 -1.297 3.604) 3.831 4.900 ( 0.000 -1.545 -2.218) 2.703 4.977 ( 0.000 1.900 1.352) 2.332 4.997 ( 0.000 2.482 -2.038) 3.212 5.016 ( 0.000 0.071 -1.157) 1.160 5.060 ( 0.000 2.101 -1.647) 2.669 5.097 ( 0.000 -1.714 1.377) 2.199 5.108 ( 0.000 -5.979 0.436) 5.994 5.162 ( 0.000 -6.393 -4.307) 7.709 5.176 ( 0.000 -0.414 -5.216) 5.232 5.345 ( 0.000 -2.280 1.106) 2.534 5.351 ( 0.000 -2.502 1.784) 3.073 5.380 ( 0.000 -0.731 3.955) 4.022 5.411 ( 0.000 -0.976 -1.311) 1.634 5.423 ( 0.000 1.994 -1.814) 2.696 5.482 ( 0.000 -1.171 -5.651) 5.771 5.670 ( 0.000 -0.866 2.931) 3.056 5.723 ( 0.000 -0.448 -1.716) 1.773 5.729 ( 0.000 -0.088 1.246) 1.249 5.755 ( 0.000 -1.826 -2.220) 2.874 6.067 ( 0.000 2.240 1.400) 2.641 6.083 ( 0.000 0.070 -0.216) 0.227 6.139 ( 0.000 -1.465 0.736) 1.640 6.141 ( 0.000 -0.062 0.554) 0.557 6.599 ( 0.000 0.003 4.420) 4.420 6.660 ( 0.000 1.819 0.684) 1.944 6.716 ( 0.000 -2.069 -3.820) 4.344 6.718 ( 0.000 -1.282 -1.182) 1.743 7.135 ( 0.000 0.307 1.348) 1.382 7.148 ( 0.000 1.746 0.271) 1.767 7.202 ( 0.000 -1.321 1.556) 2.041 7.230 ( 0.000 -1.409 -1.208) 1.856 7.426 ( 0.000 3.584 4.419) 5.690 7.473 ( 0.000 0.768 -0.241) 0.805 7.520 ( 0.000 -3.706 4.664) 5.957 7.606 ( 0.000 -2.009 0.686) 2.123 7.608 ( 0.000 0.786 -3.264) 3.357 7.627 ( 0.000 -1.808 -3.109) 3.597 7.721 ( 0.000 -1.440 0.963) 1.732 7.727 ( 0.000 -1.646 0.705) 1.791 7.850 ( 0.000 -1.269 -1.388) 1.880 7.852 ( 0.000 0.325 -1.840) 1.868 7.955 ( 0.000 -2.315 3.265) 4.002 8.013 ( 0.000 -1.106 -2.864) 3.070 8.184 ( 0.000 -0.540 1.577) 1.667 8.202 ( 0.000 1.570 -0.525) 1.655 8.208 ( 0.000 0.580 2.549) 2.614 8.269 ( 0.000 -0.161 -3.571) 3.575 8.771 ( 0.000 -0.930 0.449) 1.033 8.817 ( 0.000 2.012 -3.005) 3.616 8.897 ( 0.000 -3.260 1.389) 3.544 8.935 ( 0.000 -0.332 -1.710) 1.742 9.056 ( 0.000 0.871 1.961) 2.145 9.096 ( 0.000 0.505 -2.275) 2.331 9.125 ( 0.000 0.498 0.910) 1.037 9.167 ( 0.000 0.998 -1.399) 1.718 9.250 ( 0.000 0.414 -0.924) 1.013 9.270 ( 0.000 -0.265 -0.017) 0.266 9.287 ( 0.000 -2.492 0.978) 2.677 9.317 ( 0.000 -2.333 -2.786) 3.633 9.547 ( 0.000 1.155 4.986) 5.118 9.570 ( 0.000 -1.208 3.828) 4.014 9.609 ( 0.000 -0.148 -1.378) 1.386 9.645 ( 0.000 0.460 -4.159) 4.185 9.974 ( 0.000 -0.609 6.043) 6.074 10.068 ( 0.000 0.975 -2.942) 3.100 10.121 ( 0.000 -0.875 3.071) 3.193 10.180 ( 0.000 0.174 -2.301) 2.307 10.721 ( 0.000 0.546 2.927) 2.977 10.764 ( 0.000 -0.671 -0.115) 0.681 10.765 ( 0.000 0.073 -0.932) 0.934 10.784 ( 0.000 0.055 -3.184) 3.184 10.966 ( 0.000 1.466 1.329) 1.979 10.976 ( 0.000 1.294 0.405) 1.356 11.038 ( 0.000 -0.422 3.684) 3.708 11.091 ( 0.000 -0.188 -1.667) 1.677 11.327 ( 0.000 0.950 2.094) 2.300 11.376 ( 0.000 0.969 -2.873) 3.032 11.480 ( 0.000 -1.146 1.793) 2.128 11.529 ( 0.000 -0.744 -3.488) 3.566 11.773 ( 0.000 -0.004 3.206) 3.206 11.815 ( 0.000 1.176 -1.728) 2.091 11.823 ( 0.000 0.221 2.011) 2.023 11.859 ( 0.000 -1.211 -1.731) 2.112 12.016 ( 0.000 0.439 4.492) 4.513 12.064 ( 0.000 0.209 1.029) 1.050 12.114 ( 0.000 0.087 -4.053) 4.054 12.129 ( 0.000 0.483 -6.999) 7.015 13.254 ( 0.000 -0.283 3.954) 3.964 13.256 ( 0.000 -0.049 3.629) 3.629 13.317 ( 0.000 0.067 -2.941) 2.942 13.320 ( 0.000 -0.252 -3.156) 3.166 13.520 ( 0.000 0.081 0.911) 0.915 13.536 ( 0.000 -0.137 -0.763) 0.775 13.538 ( 0.000 -1.316 0.684) 1.483 13.548 ( 0.000 -1.183 -0.374) 1.240 18.284 ( 0.000 1.562 4.241) 4.519 18.331 ( 0.000 -2.926 3.792) 4.789 18.352 ( 0.000 2.303 -3.538) 4.221 18.416 ( 0.000 0.156 -4.920) 4.923 18.775 ( 0.000 2.681 1.518) 3.081 18.778 ( 0.000 1.229 2.898) 3.148 18.845 ( 0.000 -3.186 0.913) 3.314 18.883 ( 0.000 -0.350 -1.383) 1.426 19.060 ( 0.000 0.320 2.898) 2.915 19.095 ( 0.000 6.677 -1.407) 6.823 19.189 ( 0.000 -0.279 -1.846) 1.867 19.217 ( 0.000 -4.112 -4.743) 6.277 19.355 ( 0.000 -5.566 5.757) 8.007 19.479 ( 0.000 -3.412 -6.859) 7.661 19.485 ( 0.000 -3.003 6.613) 7.263 19.624 ( 0.000 -2.174 -8.182) 8.466 19.856 ( 0.000 -2.959 1.582) 3.356 19.857 ( 0.000 -1.653 1.321) 2.116 20.107 ( 0.000 -2.623 3.344) 4.250 20.129 ( 0.000 -2.292 1.089) 2.537 20.461 ( 0.000 2.764 3.505) 4.464 20.507 ( 0.000 3.268 -1.487) 3.591 20.587 ( 0.000 -3.635 2.614) 4.478 20.611 ( 0.000 -3.158 -0.033) 3.158 20.729 ( 0.000 3.595 -0.841) 3.692 20.730 ( 0.000 3.086 -1.064) 3.265 20.818 ( 0.000 -1.895 3.078) 3.615 20.885 ( 0.000 -0.887 -3.434) 3.547 20.977 ( 0.000 0.616 2.029) 2.121 21.042 ( 0.000 1.631 -4.233) 4.536 21.166 ( 0.000 -0.971 0.627) 1.156 21.180 ( 0.000 -0.301 -0.912) 0.960 21.433 ( 0.000 0.101 3.534) 3.535 21.519 ( 0.000 -0.422 1.935) 1.981 21.528 ( 0.000 0.705 -6.480) 6.518 21.593 ( 0.000 -0.989 -6.452) 6.527 22.086 ( 0.000 2.385 2.259) 3.285 22.121 ( 0.000 0.911 -1.762) 1.984 22.153 ( 0.000 -2.429 1.585) 2.900 22.170 ( 0.000 -2.234 -0.402) 2.270 22.253 ( 0.000 3.262 1.411) 3.554 22.288 ( 0.000 4.643 -2.498) 5.273 22.484 ( 0.000 -4.605 2.158) 5.086 22.511 ( 0.000 -4.409 -0.858) 4.492 22.728 ( 0.000 0.460 3.950) 3.977 22.780 ( 0.000 0.227 -1.885) 1.898 22.814 ( 0.000 -2.406 4.395) 5.010 22.878 ( 0.000 -2.386 -2.611) 3.537 ======================= Grid point 67 (30/30) ======================= q-point: ( 0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-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 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -0.325 13.318 -0.276) 13.325 1.514 ( 0.884 10.473 -2.974) 10.923 1.610 ( 0.808 3.950 1.289) 4.233 1.646 ( 1.121 2.301 -1.605) 3.021 1.666 ( 0.062 -0.696 0.904) 1.142 1.696 ( 0.050 0.349 -0.141) 0.380 1.743 ( -2.525 -5.081 -2.560) 6.225 1.768 ( -1.019 -5.071 -3.803) 6.420 1.837 ( 2.831 7.039 3.072) 8.185 1.893 ( 4.205 8.843 -1.535) 9.911 1.946 ( -0.995 2.822 0.327) 3.010 1.954 ( -1.390 6.273 -0.936) 6.493 2.055 ( 1.401 1.965 1.400) 2.790 2.067 ( 2.045 2.193 0.045) 2.999 2.117 ( -0.860 0.074 5.258) 5.328 2.150 ( 2.306 1.293 2.582) 3.696 2.192 ( -1.149 -3.928 0.911) 4.193 2.207 ( -1.226 -2.327 1.820) 3.198 2.236 ( 0.161 -2.927 -1.925) 3.507 2.264 ( -0.997 -4.081 -3.335) 5.364 2.338 ( -0.638 4.419 1.938) 4.867 2.351 ( 0.440 0.798 1.192) 1.500 2.374 ( -0.999 -1.727 2.578) 3.260 2.413 ( 0.975 -2.483 -0.748) 2.770 2.476 ( 1.127 0.525 1.982) 2.340 2.496 ( 0.607 -0.565 0.636) 1.046 2.514 ( -0.510 0.619 1.435) 1.644 2.559 ( -3.502 -1.929 -0.205) 4.003 2.574 ( -1.755 0.728 0.785) 2.055 2.600 ( 0.894 1.114 -1.121) 1.816 2.644 ( -1.119 -3.512 0.953) 3.807 2.653 ( -2.151 -2.821 -0.059) 3.548 2.804 ( 1.037 2.556 3.499) 4.456 2.847 ( -0.887 -0.375 1.541) 1.817 2.873 ( -0.439 1.777 -0.613) 1.930 2.910 ( -1.642 0.581 -2.448) 3.004 3.008 ( 2.208 0.634 1.534) 2.762 3.051 ( 0.412 0.394 -2.250) 2.321 3.061 ( 0.626 -2.089 1.384) 2.583 3.105 ( 1.127 -2.588 -2.366) 3.683 3.230 ( 5.320 4.039 0.319) 6.687 3.266 ( 3.984 3.798 -2.985) 6.261 3.325 ( -2.753 2.047 -0.354) 3.449 3.347 ( -3.513 4.917 -2.002) 6.366 3.451 ( -0.858 -0.449 0.914) 1.332 3.479 ( -0.653 -0.177 -0.682) 0.961 3.503 ( -2.356 -1.537 2.012) 3.459 3.570 ( -0.408 -2.955 -2.953) 4.197 3.638 ( 1.971 3.908 1.642) 4.675 3.663 ( 2.402 2.901 -0.358) 3.783 3.698 ( -2.297 -1.481 -0.377) 2.758 3.717 ( -2.131 -1.806 -1.849) 3.350 3.839 ( -0.801 1.865 0.298) 2.051 3.883 ( 1.369 1.008 -3.138) 3.569 3.907 ( -1.040 -1.687 0.844) 2.154 3.945 ( -1.546 0.822 -2.141) 2.766 4.062 ( 0.623 2.108 1.578) 2.706 4.097 ( 1.215 2.693 -0.303) 2.970 4.129 ( -1.138 -1.588 1.111) 2.247 4.168 ( 0.831 -0.387 -1.534) 1.788 4.287 ( 1.185 3.204 1.067) 3.579 4.311 ( 1.149 2.367 -1.122) 2.860 4.332 ( -1.252 1.703 0.175) 2.121 4.359 ( 0.183 1.094 -1.273) 1.688 4.472 ( 0.627 0.828 2.679) 2.873 4.499 ( -1.270 -1.455 2.500) 3.159 4.518 ( 0.493 -0.232 -1.369) 1.473 4.540 ( -0.048 -2.828 -0.709) 2.916 4.629 ( 1.623 2.512 4.550) 5.444 4.667 ( -1.500 3.426 4.597) 5.927 4.707 ( 1.100 0.399 -0.784) 1.409 4.737 ( -1.127 1.567 -1.765) 2.616 4.863 ( 3.124 -0.521 4.303) 5.343 4.918 ( 0.988 3.739 -1.109) 4.023 4.941 ( -3.608 0.904 2.716) 4.606 4.983 ( -0.273 0.477 -0.852) 1.014 5.010 ( -0.109 -1.617 -1.384) 2.131 5.065 ( 0.501 -1.024 -3.853) 4.018 5.076 ( -0.574 -2.611 -1.996) 3.337 5.117 ( -1.644 -3.010 -4.215) 5.434 5.187 ( 4.935 -3.501 2.363) 6.496 5.244 ( 3.898 -2.354 -2.757) 5.323 5.285 ( -4.291 -3.054 2.020) 5.641 5.323 ( -3.331 -2.053 -1.098) 4.064 5.389 ( 0.894 -1.136 2.499) 2.887 5.399 ( -0.096 -1.202 2.157) 2.471 5.460 ( 1.358 0.473 -4.011) 4.261 5.475 ( -0.526 -0.840 -5.372) 5.463 5.672 ( 0.230 1.049 2.750) 2.952 5.716 ( -0.515 -1.403 2.188) 2.650 5.731 ( 0.411 -0.380 -2.931) 2.984 5.757 ( -0.120 -1.416 -2.166) 2.591 6.064 ( -0.011 2.490 2.736) 3.699 6.098 ( 1.033 0.231 0.065) 1.060 6.116 ( -1.238 -0.697 1.123) 1.811 6.139 ( -0.676 -1.210 -0.629) 1.522 6.624 ( 2.183 -0.193 4.036) 4.593 6.658 ( -0.754 0.320 2.996) 3.106 6.705 ( -0.258 0.071 -3.267) 3.278 6.725 ( 0.064 -1.368 -3.761) 4.002 7.120 ( -0.211 0.881 3.248) 3.372 7.168 ( -1.587 -1.790 2.467) 3.437 7.177 ( 1.077 0.684 -2.321) 2.649 7.220 ( -1.138 -0.941 -2.594) 2.985 7.431 ( 0.410 3.946 6.733) 7.815 7.503 ( 1.691 -0.464 2.338) 2.922 7.527 ( 1.105 -2.045 1.267) 2.648 7.572 ( -2.083 -0.632 -1.266) 2.518 7.633 ( 1.782 -1.374 -0.282) 2.268 7.653 ( 1.446 -0.898 -2.067) 2.677 7.687 ( -1.691 -2.296 -0.663) 2.927 7.713 ( -2.089 -2.126 -2.035) 3.609 7.852 ( 0.958 1.289 1.375) 2.114 7.892 ( 2.742 -0.329 -2.600) 3.793 7.932 ( -1.686 -2.932 1.896) 3.877 7.972 ( -3.280 -1.905 -2.362) 4.468 8.182 ( 0.622 0.375 3.493) 3.567 8.198 ( -0.785 0.692 3.671) 3.817 8.244 ( 2.277 0.333 -2.983) 3.768 8.269 ( -0.306 -0.001 -3.873) 3.885 8.782 ( 1.285 -0.047 2.545) 2.851 8.835 ( -0.491 -0.230 1.896) 1.972 8.872 ( 0.549 -1.487 -4.086) 4.383 8.920 ( -2.119 -0.355 -4.172) 4.692 9.076 ( 1.799 0.708 2.245) 2.962 9.105 ( -0.697 1.058 2.155) 2.500 9.129 ( 2.133 0.472 -2.511) 3.328 9.172 ( -0.933 1.380 -2.974) 3.408 9.236 ( -0.874 -0.043 0.895) 1.252 9.263 ( -0.215 -1.757 1.699) 2.453 9.281 ( -0.659 -0.829 -1.326) 1.697 9.311 ( -0.253 -2.963 -1.955) 3.559 9.546 ( -0.049 1.012 5.115) 5.215 9.566 ( -0.280 -0.972 3.987) 4.114 9.620 ( 0.933 -0.126 -2.418) 2.594 9.638 ( -0.753 0.234 -3.797) 3.878 10.010 ( 3.254 -0.420 5.922) 6.770 10.075 ( -2.206 0.599 4.584) 5.123 10.108 ( 1.633 -0.675 -3.414) 3.844 10.159 ( -2.144 -0.060 -3.186) 3.840 10.728 ( 0.553 0.431 2.209) 2.318 10.749 ( -0.587 -0.546 1.573) 1.765 10.772 ( -0.043 0.880 -2.408) 2.565 10.795 ( 0.713 -1.018 -2.883) 3.140 10.979 ( 1.228 1.532 1.840) 2.691 10.995 ( 1.937 1.441 0.628) 2.494 11.020 ( -1.389 -0.245 2.551) 2.914 11.055 ( -3.112 0.375 -0.724) 3.217 11.356 ( 2.446 1.744 1.981) 3.599 11.409 ( 2.692 1.434 -3.282) 4.481 11.449 ( -2.534 -2.003 1.833) 3.714 11.495 ( -2.779 -1.452 -3.054) 4.377 11.790 ( 1.443 0.175 2.357) 2.769 11.816 ( -0.723 0.318 1.765) 1.933 11.820 ( 0.247 0.913 -1.057) 1.418 11.849 ( -0.635 -1.219 -1.415) 1.973 12.030 ( 1.201 0.194 3.719) 3.913 12.053 ( -1.006 0.089 2.163) 2.387 12.121 ( 0.486 0.305 -5.096) 5.128 12.127 ( -0.158 0.461 -6.437) 6.455 13.252 ( -0.054 0.078 3.844) 3.846 13.258 ( 0.120 -0.440 3.800) 3.827 13.317 ( 0.022 0.128 -3.127) 3.129 13.322 ( 0.136 -0.341 -3.081) 3.103 13.521 ( 0.087 0.010 0.925) 0.929 13.534 ( -0.208 -1.119 0.794) 1.388 13.537 ( 0.062 -0.271 -0.718) 0.770 13.547 ( -0.060 -1.141 -0.497) 1.246 18.290 ( 0.513 0.906 4.087) 4.218 18.323 ( -0.563 -2.016 4.386) 4.860 18.367 ( 0.985 2.542 -4.215) 5.019 18.413 ( -0.360 -0.374 -5.110) 5.136 18.786 ( 1.052 1.565 3.384) 3.874 18.799 ( 1.509 1.197 2.949) 3.522 18.842 ( -0.886 0.261 0.077) 0.926 18.875 ( -0.302 -0.677 -2.003) 2.135 19.059 ( -0.001 1.481 3.248) 3.570 19.095 ( 0.423 1.485 1.265) 1.996 19.169 ( -1.435 -1.470 -4.552) 4.994 19.190 ( -2.205 -3.481 -5.037) 6.508 19.376 ( 2.000 -3.695 5.431) 6.866 19.440 ( -2.960 -3.050 6.652) 7.894 19.497 ( 1.357 -1.279 -6.619) 6.877 19.578 ( -2.837 -2.829 -7.560) 8.556 19.935 ( 6.143 -1.488 2.232) 6.703 19.951 ( 7.263 -2.541 0.748) 7.731 20.061 ( -4.464 -3.069 2.639) 6.026 20.083 ( -4.573 -3.110 0.343) 5.541 20.466 ( 0.422 3.147 3.725) 4.894 20.519 ( 0.834 3.553 -1.741) 4.044 20.560 ( -1.566 -3.631 4.180) 5.754 20.611 ( -0.202 -3.504 -0.923) 3.629 20.738 ( 1.232 2.946 1.389) 3.482 20.778 ( 3.093 2.077 -1.586) 4.050 20.800 ( -0.854 -0.581 0.652) 1.221 20.856 ( -3.015 0.598 -4.026) 5.065 20.989 ( 1.382 1.608 3.367) 3.979 21.063 ( 1.735 1.709 -3.594) 4.342 21.103 ( -3.939 -2.546 2.102) 5.140 21.156 ( -2.331 -2.173 -2.920) 4.322 21.464 ( 2.323 0.590 3.191) 3.991 21.504 ( -1.364 0.143 2.109) 2.516 21.546 ( 1.143 1.225 -5.552) 5.799 21.590 ( -0.334 -1.415 -7.265) 7.409 22.103 ( 1.580 1.076 1.959) 2.737 22.131 ( 0.347 -0.244 -0.363) 0.558 22.139 ( -0.952 -0.831 0.373) 1.318 22.155 ( -0.954 -1.673 -0.735) 2.061 22.282 ( 1.919 4.897 1.318) 5.422 22.313 ( 1.845 6.348 -2.115) 6.941 22.447 ( -2.462 -5.691 2.921) 6.855 22.487 ( -1.812 -5.926 -1.617) 6.404 22.750 ( 1.682 0.053 4.399) 4.710 22.798 ( -0.545 -1.699 3.617) 4.033 22.812 ( 1.602 -0.834 -1.536) 2.371 22.863 ( -1.438 -2.273 -2.467) 3.649 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 34.861 44.891 36.023 0.000 0.000 0.000 3/29160 20.0 7.615 11.892 7.947 0.000 0.000 0.000 3/29160 30.0 3.387 5.695 3.604 0.000 0.000 0.000 3/29160 40.0 2.060 3.532 2.213 0.000 0.000 0.000 3/29160 50.0 1.461 2.517 1.579 0.000 0.000 0.000 3/29160 60.0 1.129 1.948 1.227 0.000 0.000 0.000 3/29160 70.0 0.921 1.588 1.006 0.000 0.000 0.000 3/29160 80.0 0.779 1.342 0.855 0.000 0.000 0.000 3/29160 90.0 0.676 1.163 0.746 0.000 0.000 0.000 3/29160 100.0 0.598 1.027 0.662 0.000 0.000 0.000 3/29160 110.0 0.536 0.921 0.597 0.000 0.000 0.000 3/29160 120.0 0.487 0.836 0.545 0.000 0.000 0.000 3/29160 130.0 0.447 0.766 0.501 0.000 0.000 0.000 3/29160 140.0 0.413 0.707 0.465 0.000 0.000 0.000 3/29160 150.0 0.384 0.658 0.434 0.000 0.000 0.000 3/29160 160.0 0.359 0.615 0.408 0.000 0.000 0.000 3/29160 170.0 0.337 0.578 0.385 0.000 0.000 0.000 3/29160 180.0 0.318 0.546 0.365 0.000 0.000 0.000 3/29160 190.0 0.302 0.518 0.347 0.000 0.000 0.000 3/29160 200.0 0.287 0.493 0.331 0.000 0.000 0.000 3/29160 210.0 0.273 0.470 0.316 0.000 0.000 0.000 3/29160 220.0 0.261 0.450 0.303 0.000 0.000 0.000 3/29160 230.0 0.250 0.431 0.291 0.000 0.000 0.000 3/29160 240.0 0.240 0.414 0.281 0.000 0.000 0.000 3/29160 250.0 0.231 0.399 0.271 0.000 0.000 0.000 3/29160 260.0 0.222 0.384 0.261 0.000 0.000 0.000 3/29160 270.0 0.214 0.371 0.253 0.000 0.000 0.000 3/29160 280.0 0.207 0.359 0.245 0.000 0.000 0.000 3/29160 290.0 0.200 0.348 0.237 0.000 0.000 0.000 3/29160 300.0 0.194 0.337 0.231 0.000 0.000 0.000 3/29160 310.0 0.188 0.327 0.224 0.000 0.000 0.000 3/29160 320.0 0.182 0.318 0.218 0.000 0.000 0.000 3/29160 330.0 0.177 0.309 0.212 0.000 0.000 0.000 3/29160 340.0 0.172 0.300 0.206 0.000 0.000 0.000 3/29160 350.0 0.168 0.292 0.201 0.000 0.000 0.000 3/29160 360.0 0.163 0.285 0.196 0.000 0.000 0.000 3/29160 370.0 0.159 0.278 0.192 0.000 0.000 0.000 3/29160 380.0 0.155 0.271 0.187 0.000 0.000 0.000 3/29160 390.0 0.151 0.265 0.183 0.000 0.000 0.000 3/29160 400.0 0.148 0.259 0.179 0.000 0.000 0.000 3/29160 410.0 0.144 0.253 0.175 0.000 0.000 0.000 3/29160 420.0 0.141 0.247 0.171 0.000 0.000 0.000 3/29160 430.0 0.138 0.242 0.168 0.000 0.000 0.000 3/29160 440.0 0.135 0.237 0.164 0.000 0.000 0.000 3/29160 450.0 0.132 0.232 0.161 0.000 0.000 0.000 3/29160 460.0 0.129 0.227 0.158 0.000 0.000 0.000 3/29160 470.0 0.127 0.223 0.155 0.000 0.000 0.000 3/29160 480.0 0.124 0.218 0.152 0.000 0.000 0.000 3/29160 490.0 0.122 0.214 0.149 0.000 0.000 0.000 3/29160 500.0 0.119 0.210 0.146 0.000 0.000 0.000 3/29160 510.0 0.117 0.206 0.143 0.000 0.000 0.000 3/29160 520.0 0.115 0.203 0.141 0.000 0.000 0.000 3/29160 530.0 0.113 0.199 0.138 0.000 0.000 0.000 3/29160 540.0 0.111 0.195 0.136 0.000 0.000 0.000 3/29160 550.0 0.109 0.192 0.134 0.000 0.000 0.000 3/29160 560.0 0.107 0.189 0.132 0.000 0.000 0.000 3/29160 570.0 0.105 0.186 0.129 0.000 0.000 0.000 3/29160 580.0 0.103 0.183 0.127 0.000 0.000 0.000 3/29160 590.0 0.102 0.180 0.125 0.000 0.000 0.000 3/29160 600.0 0.100 0.177 0.123 0.000 0.000 0.000 3/29160 610.0 0.098 0.174 0.122 0.000 0.000 0.000 3/29160 620.0 0.097 0.171 0.120 0.000 0.000 0.000 3/29160 630.0 0.095 0.169 0.118 0.000 0.000 0.000 3/29160 640.0 0.094 0.166 0.116 0.000 0.000 0.000 3/29160 650.0 0.093 0.164 0.114 0.000 0.000 0.000 3/29160 660.0 0.091 0.162 0.113 0.000 0.000 0.000 3/29160 670.0 0.090 0.159 0.111 0.000 0.000 0.000 3/29160 680.0 0.089 0.157 0.110 0.000 0.000 0.000 3/29160 690.0 0.087 0.155 0.108 0.000 0.000 0.000 3/29160 700.0 0.086 0.153 0.107 0.000 0.000 0.000 3/29160 710.0 0.085 0.151 0.105 0.000 0.000 0.000 3/29160 720.0 0.084 0.149 0.104 0.000 0.000 0.000 3/29160 730.0 0.083 0.147 0.103 0.000 0.000 0.000 3/29160 740.0 0.082 0.145 0.101 0.000 0.000 0.000 3/29160 750.0 0.081 0.143 0.100 0.000 0.000 0.000 3/29160 760.0 0.079 0.141 0.099 0.000 0.000 0.000 3/29160 770.0 0.078 0.139 0.097 0.000 0.000 0.000 3/29160 780.0 0.077 0.138 0.096 0.000 0.000 0.000 3/29160 790.0 0.077 0.136 0.095 0.000 0.000 0.000 3/29160 800.0 0.076 0.134 0.094 0.000 0.000 0.000 3/29160 810.0 0.075 0.133 0.093 0.000 0.000 0.000 3/29160 820.0 0.074 0.131 0.092 0.000 0.000 0.000 3/29160 830.0 0.073 0.130 0.091 0.000 0.000 0.000 3/29160 840.0 0.072 0.128 0.090 0.000 0.000 0.000 3/29160 850.0 0.071 0.127 0.089 0.000 0.000 0.000 3/29160 860.0 0.070 0.125 0.088 0.000 0.000 0.000 3/29160 870.0 0.070 0.124 0.087 0.000 0.000 0.000 3/29160 880.0 0.069 0.122 0.086 0.000 0.000 0.000 3/29160 890.0 0.068 0.121 0.085 0.000 0.000 0.000 3/29160 900.0 0.067 0.120 0.084 0.000 0.000 0.000 3/29160 910.0 0.067 0.118 0.083 0.000 0.000 0.000 3/29160 920.0 0.066 0.117 0.082 0.000 0.000 0.000 3/29160 930.0 0.065 0.116 0.081 0.000 0.000 0.000 3/29160 940.0 0.065 0.115 0.080 0.000 0.000 0.000 3/29160 950.0 0.064 0.114 0.080 0.000 0.000 0.000 3/29160 960.0 0.063 0.112 0.079 0.000 0.000 0.000 3/29160 970.0 0.063 0.111 0.078 0.000 0.000 0.000 3/29160 980.0 0.062 0.110 0.077 0.000 0.000 0.000 3/29160 990.0 0.061 0.109 0.077 0.000 0.000 0.000 3/29160 1000.0 0.061 0.108 0.076 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m395.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:12:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|