----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:48:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.095738870001949 0.000000000000000 0.000000000000000 b 0.000000000000000 10.181932519999998 0.000000000000000 c -3.344223254203410 0.000000000000000 10.422099179041993 Atomic positions (fractional): *1 Lu 0.02056426745468 0.10329955549066 0.80221980509860 174.967 2 Lu 0.02056426745468 0.39670044450934 0.30221980509860 174.967 *3 Lu 0.16029500943402 0.88025930082059 0.58270319238339 174.967 *4 Lu 0.34371022481091 0.37229265441833 0.94147883728840 174.967 5 Lu 0.16029500943402 0.61974069917941 0.08270319238339 174.967 6 Lu 0.34371022481091 0.12770734558166 0.44147883728840 174.967 *7 Lu 0.47953027314526 0.61723981287893 0.71851873172722 174.967 8 Lu 0.52046972685474 0.11723981287893 0.78148126827278 174.967 9 Lu 0.47953027314526 0.88276018712107 0.21851873172722 174.967 10 Lu 0.52046972685474 0.38276018712107 0.28148126827279 174.967 11 Lu 0.65628977518910 0.87229265441834 0.55852116271160 174.967 12 Lu 0.83970499056599 0.38025930082059 0.91729680761661 174.967 13 Lu 0.65628977518910 0.62770734558166 0.05852116271160 174.967 14 Lu 0.83970499056599 0.11974069917941 0.41729680761661 174.967 15 Lu 0.97943573254532 0.60329955549066 0.69778019490140 174.967 16 Lu 0.97943573254532 0.89670044450934 0.19778019490140 174.967 *17 Al 0.34438798335234 0.83154871436973 0.89177907048056 26.982 *18 Al 0.21225106666659 0.32861137557491 0.62609148333649 26.982 19 Al 0.34438798335234 0.66845128563027 0.39177907048056 26.982 20 Al 0.21225106666659 0.17138862442509 0.12609148333649 26.982 21 Al 0.78774893333341 0.82861137557491 0.87390851666351 26.982 22 Al 0.65561201664766 0.33154871436973 0.60822092951944 26.982 23 Al 0.78774893333341 0.67138862442509 0.37390851666351 26.982 24 Al 0.65561201664766 0.16845128563027 0.10822092951944 26.982 *25 O 0.06741904424108 0.23326103011803 0.97863737230992 15.999 *26 O 0.07864948105417 0.50890147220771 0.89303716725206 15.999 27 O 0.06741904424108 0.26673896988197 0.47863737230992 15.999 *28 O 0.23136354860400 0.24721739805268 0.77161598002652 15.999 *29 O 0.20409779479215 0.74914637287284 0.75304078698725 15.999 30 O 0.07864948105417 0.99109852779229 0.39303716725206 15.999 *31 O 0.21173823747250 0.49641410671761 0.65060345427645 15.999 *32 O 0.30920000812940 0.99707668830361 0.84865097945287 15.999 *33 O 0.36607447819045 0.73434132682473 0.54380346973856 15.999 34 O 0.23136354860400 0.25278260194732 0.27161598002652 15.999 35 O 0.20409779479215 0.75085362712716 0.25304078698725 15.999 *36 O 0.56354501536664 0.49365358212000 0.89037776988415 15.999 *37 O 0.43267219841137 0.25955120108863 0.61396932238256 15.999 38 O 0.21173823747250 0.00358589328239 0.15060345427645 15.999 39 O 0.56732780158862 0.75955120108863 0.88603067761744 15.999 40 O 0.43645498463336 0.99365358212000 0.60962223011585 15.999 41 O 0.30920000812940 0.50292331169639 0.34865097945287 15.999 42 O 0.63392552180955 0.23434132682473 0.95619653026144 15.999 43 O 0.36607447819045 0.76565867317527 0.04380346973856 15.999 44 O 0.69079999187060 0.49707668830361 0.65134902054713 15.999 45 O 0.56354501536664 0.00634641788000 0.39037776988415 15.999 46 O 0.43267219841137 0.24044879891137 0.11396932238256 15.999 47 O 0.78826176252750 0.99641410671761 0.84939654572355 15.999 48 O 0.56732780158862 0.74044879891137 0.38603067761744 15.999 49 O 0.43645498463336 0.50634641788000 0.10962223011585 15.999 50 O 0.79590220520785 0.24914637287284 0.74695921301275 15.999 51 O 0.76863645139600 0.74721739805268 0.72838401997348 15.999 52 O 0.63392552180955 0.26565867317527 0.45619653026144 15.999 53 O 0.69079999187060 0.00292331169639 0.15134902054713 15.999 54 O 0.78826176252750 0.50358589328239 0.34939654572355 15.999 55 O 0.92135051894583 0.00890147220772 0.60696283274794 15.999 56 O 0.79590220520785 0.25085362712716 0.24695921301275 15.999 57 O 0.76863645139600 0.75278260194732 0.22838401997348 15.999 58 O 0.93258095575892 0.73326103011803 0.52136262769008 15.999 59 O 0.92135051894583 0.49109852779229 0.10696283274794 15.999 60 O 0.93258095575892 0.76673896988197 0.02136262769008 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.095738870001949 0.000000000000000 0.000000000000000 b 0.000000000000000 10.181932519999998 0.000000000000000 c -3.344223254203410 0.000000000000000 10.422099179041993 Atomic positions (fractional): *1 Lu 0.02056426745468 0.10329955549066 0.80221980509860 174.967 > 1 2 Lu 0.02056426745468 0.39670044450934 0.30221980509860 174.967 > 2 *3 Lu 0.16029500943402 0.88025930082059 0.58270319238339 174.967 > 3 *4 Lu 0.34371022481091 0.37229265441833 0.94147883728840 174.967 > 4 5 Lu 0.16029500943402 0.61974069917941 0.08270319238339 174.967 > 5 6 Lu 0.34371022481091 0.12770734558166 0.44147883728840 174.967 > 6 *7 Lu 0.47953027314526 0.61723981287893 0.71851873172722 174.967 > 7 8 Lu 0.52046972685474 0.11723981287893 0.78148126827278 174.967 > 8 9 Lu 0.47953027314526 0.88276018712107 0.21851873172722 174.967 > 9 10 Lu 0.52046972685474 0.38276018712107 0.28148126827279 174.967 > 10 11 Lu 0.65628977518910 0.87229265441834 0.55852116271160 174.967 > 11 12 Lu 0.83970499056599 0.38025930082059 0.91729680761661 174.967 > 12 13 Lu 0.65628977518910 0.62770734558166 0.05852116271160 174.967 > 13 14 Lu 0.83970499056599 0.11974069917941 0.41729680761661 174.967 > 14 15 Lu 0.97943573254532 0.60329955549066 0.69778019490140 174.967 > 15 16 Lu 0.97943573254532 0.89670044450934 0.19778019490140 174.967 > 16 *17 Al 0.34438798335234 0.83154871436973 0.89177907048056 26.982 > 17 *18 Al 0.21225106666659 0.32861137557491 0.62609148333649 26.982 > 18 19 Al 0.34438798335234 0.66845128563027 0.39177907048056 26.982 > 19 20 Al 0.21225106666659 0.17138862442509 0.12609148333649 26.982 > 20 21 Al 0.78774893333341 0.82861137557491 0.87390851666351 26.982 > 21 22 Al 0.65561201664766 0.33154871436973 0.60822092951944 26.982 > 22 23 Al 0.78774893333341 0.67138862442509 0.37390851666351 26.982 > 23 24 Al 0.65561201664766 0.16845128563027 0.10822092951944 26.982 > 24 *25 O 0.06741904424108 0.23326103011803 0.97863737230992 15.999 > 25 *26 O 0.07864948105417 0.50890147220771 0.89303716725206 15.999 > 26 27 O 0.06741904424108 0.26673896988197 0.47863737230992 15.999 > 27 *28 O 0.23136354860400 0.24721739805268 0.77161598002652 15.999 > 28 *29 O 0.20409779479215 0.74914637287284 0.75304078698725 15.999 > 29 30 O 0.07864948105417 0.99109852779229 0.39303716725206 15.999 > 30 *31 O 0.21173823747250 0.49641410671761 0.65060345427645 15.999 > 31 *32 O 0.30920000812940 0.99707668830361 0.84865097945287 15.999 > 32 *33 O 0.36607447819045 0.73434132682473 0.54380346973856 15.999 > 33 34 O 0.23136354860400 0.25278260194732 0.27161598002652 15.999 > 34 35 O 0.20409779479215 0.75085362712716 0.25304078698725 15.999 > 35 *36 O 0.56354501536664 0.49365358212000 0.89037776988415 15.999 > 36 *37 O 0.43267219841137 0.25955120108863 0.61396932238256 15.999 > 37 38 O 0.21173823747250 0.00358589328239 0.15060345427645 15.999 > 38 39 O 0.56732780158862 0.75955120108863 0.88603067761744 15.999 > 39 40 O 0.43645498463336 0.99365358212000 0.60962223011585 15.999 > 40 41 O 0.30920000812940 0.50292331169639 0.34865097945287 15.999 > 41 42 O 0.63392552180955 0.23434132682473 0.95619653026144 15.999 > 42 43 O 0.36607447819045 0.76565867317527 0.04380346973856 15.999 > 43 44 O 0.69079999187060 0.49707668830361 0.65134902054713 15.999 > 44 45 O 0.56354501536664 0.00634641788000 0.39037776988415 15.999 > 45 46 O 0.43267219841137 0.24044879891137 0.11396932238256 15.999 > 46 47 O 0.78826176252750 0.99641410671761 0.84939654572355 15.999 > 47 48 O 0.56732780158862 0.74044879891137 0.38603067761744 15.999 > 48 49 O 0.43645498463336 0.50634641788000 0.10962223011585 15.999 > 49 50 O 0.79590220520785 0.24914637287284 0.74695921301275 15.999 > 50 51 O 0.76863645139600 0.74721739805268 0.72838401997348 15.999 > 51 52 O 0.63392552180955 0.26565867317527 0.45619653026144 15.999 > 52 53 O 0.69079999187060 0.00292331169639 0.15134902054713 15.999 > 53 54 O 0.78826176252750 0.50358589328239 0.34939654572355 15.999 > 54 55 O 0.92135051894583 0.00890147220772 0.60696283274794 15.999 > 55 56 O 0.79590220520785 0.25085362712716 0.24695921301275 15.999 > 56 57 O 0.76863645139600 0.75278260194732 0.22838401997348 15.999 > 57 58 O 0.93258095575892 0.73326103011803 0.52136262769008 15.999 > 58 59 O 0.92135051894583 0.49109852779229 0.10696283274794 15.999 > 59 60 O 0.93258095575892 0.76673896988197 0.02136262769008 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.191477740003897 0.000000000000000 0.000000000000000 b 0.000000000000000 10.181932519999998 0.000000000000000 c -3.344223254203410 0.000000000000000 10.422099179041993 Atomic positions (fractional): *1 Lu 0.01028213372734 0.10329955549066 0.80221980509860 174.967 > 1 2 Lu 0.51028213372734 0.10329955549066 0.80221980509860 174.967 > 1 3 Lu 0.01028213372734 0.39670044450934 0.30221980509860 174.967 > 2 4 Lu 0.51028213372734 0.39670044450934 0.30221980509860 174.967 > 2 *5 Lu 0.08014750471701 0.88025930082059 0.58270319238339 174.967 > 3 6 Lu 0.58014750471701 0.88025930082059 0.58270319238339 174.967 > 3 *7 Lu 0.17185511240545 0.37229265441833 0.94147883728840 174.967 > 4 8 Lu 0.67185511240545 0.37229265441833 0.94147883728840 174.967 > 4 9 Lu 0.08014750471701 0.61974069917941 0.08270319238339 174.967 > 5 10 Lu 0.58014750471701 0.61974069917941 0.08270319238339 174.967 > 5 11 Lu 0.17185511240545 0.12770734558166 0.44147883728840 174.967 > 6 12 Lu 0.67185511240545 0.12770734558166 0.44147883728840 174.967 > 6 *13 Lu 0.23976513657263 0.61723981287893 0.71851873172722 174.967 > 7 14 Lu 0.73976513657263 0.61723981287893 0.71851873172722 174.967 > 7 15 Lu 0.26023486342737 0.11723981287893 0.78148126827278 174.967 > 8 16 Lu 0.76023486342737 0.11723981287893 0.78148126827278 174.967 > 8 17 Lu 0.23976513657263 0.88276018712107 0.21851873172722 174.967 > 9 18 Lu 0.73976513657263 0.88276018712107 0.21851873172722 174.967 > 9 19 Lu 0.26023486342737 0.38276018712107 0.28148126827279 174.967 > 10 20 Lu 0.76023486342737 0.38276018712107 0.28148126827279 174.967 > 10 21 Lu 0.32814488759455 0.87229265441834 0.55852116271160 174.967 > 11 22 Lu 0.82814488759455 0.87229265441834 0.55852116271160 174.967 > 11 23 Lu 0.41985249528299 0.38025930082059 0.91729680761661 174.967 > 12 24 Lu 0.91985249528299 0.38025930082059 0.91729680761661 174.967 > 12 25 Lu 0.32814488759455 0.62770734558166 0.05852116271160 174.967 > 13 26 Lu 0.82814488759455 0.62770734558166 0.05852116271160 174.967 > 13 27 Lu 0.41985249528299 0.11974069917941 0.41729680761661 174.967 > 14 28 Lu 0.91985249528299 0.11974069917941 0.41729680761661 174.967 > 14 29 Lu 0.48971786627266 0.60329955549066 0.69778019490140 174.967 > 15 30 Lu 0.98971786627266 0.60329955549066 0.69778019490140 174.967 > 15 31 Lu 0.48971786627266 0.89670044450934 0.19778019490140 174.967 > 16 32 Lu 0.98971786627266 0.89670044450934 0.19778019490140 174.967 > 16 *33 Al 0.17219399167617 0.83154871436973 0.89177907048056 26.982 > 17 34 Al 0.67219399167617 0.83154871436973 0.89177907048056 26.982 > 17 *35 Al 0.10612553333330 0.32861137557491 0.62609148333649 26.982 > 18 36 Al 0.60612553333330 0.32861137557491 0.62609148333649 26.982 > 18 37 Al 0.17219399167617 0.66845128563027 0.39177907048056 26.982 > 19 38 Al 0.67219399167617 0.66845128563027 0.39177907048056 26.982 > 19 39 Al 0.10612553333330 0.17138862442509 0.12609148333649 26.982 > 20 40 Al 0.60612553333330 0.17138862442509 0.12609148333649 26.982 > 20 41 Al 0.39387446666670 0.82861137557491 0.87390851666351 26.982 > 21 42 Al 0.89387446666670 0.82861137557491 0.87390851666351 26.982 > 21 43 Al 0.32780600832383 0.33154871436973 0.60822092951944 26.982 > 22 44 Al 0.82780600832383 0.33154871436973 0.60822092951944 26.982 > 22 45 Al 0.39387446666670 0.67138862442509 0.37390851666351 26.982 > 23 46 Al 0.89387446666670 0.67138862442509 0.37390851666351 26.982 > 23 47 Al 0.32780600832383 0.16845128563027 0.10822092951944 26.982 > 24 48 Al 0.82780600832383 0.16845128563027 0.10822092951944 26.982 > 24 *49 O 0.03370952212054 0.23326103011803 0.97863737230992 15.999 > 25 50 O 0.53370952212054 0.23326103011803 0.97863737230992 15.999 > 25 *51 O 0.03932474052708 0.50890147220771 0.89303716725206 15.999 > 26 52 O 0.53932474052708 0.50890147220771 0.89303716725206 15.999 > 26 53 O 0.03370952212054 0.26673896988197 0.47863737230992 15.999 > 27 54 O 0.53370952212054 0.26673896988197 0.47863737230992 15.999 > 27 *55 O 0.11568177430200 0.24721739805268 0.77161598002652 15.999 > 28 56 O 0.61568177430200 0.24721739805268 0.77161598002652 15.999 > 28 *57 O 0.10204889739608 0.74914637287284 0.75304078698725 15.999 > 29 58 O 0.60204889739608 0.74914637287284 0.75304078698725 15.999 > 29 59 O 0.03932474052708 0.99109852779229 0.39303716725206 15.999 > 30 60 O 0.53932474052708 0.99109852779229 0.39303716725206 15.999 > 30 *61 O 0.10586911873625 0.49641410671761 0.65060345427645 15.999 > 31 62 O 0.60586911873625 0.49641410671761 0.65060345427645 15.999 > 31 *63 O 0.15460000406470 0.99707668830361 0.84865097945287 15.999 > 32 64 O 0.65460000406470 0.99707668830361 0.84865097945287 15.999 > 32 *65 O 0.18303723909523 0.73434132682473 0.54380346973856 15.999 > 33 66 O 0.68303723909523 0.73434132682473 0.54380346973856 15.999 > 33 67 O 0.11568177430200 0.25278260194732 0.27161598002652 15.999 > 34 68 O 0.61568177430200 0.25278260194732 0.27161598002652 15.999 > 34 69 O 0.10204889739608 0.75085362712716 0.25304078698725 15.999 > 35 70 O 0.60204889739608 0.75085362712716 0.25304078698725 15.999 > 35 *71 O 0.28177250768332 0.49365358212000 0.89037776988415 15.999 > 36 72 O 0.78177250768332 0.49365358212000 0.89037776988415 15.999 > 36 *73 O 0.21633609920569 0.25955120108863 0.61396932238256 15.999 > 37 74 O 0.71633609920569 0.25955120108863 0.61396932238256 15.999 > 37 75 O 0.10586911873625 0.00358589328239 0.15060345427645 15.999 > 38 76 O 0.60586911873625 0.00358589328239 0.15060345427645 15.999 > 38 77 O 0.28366390079431 0.75955120108863 0.88603067761744 15.999 > 39 78 O 0.78366390079431 0.75955120108863 0.88603067761744 15.999 > 39 79 O 0.21822749231668 0.99365358212000 0.60962223011585 15.999 > 40 80 O 0.71822749231668 0.99365358212000 0.60962223011585 15.999 > 40 81 O 0.15460000406470 0.50292331169639 0.34865097945287 15.999 > 41 82 O 0.65460000406470 0.50292331169639 0.34865097945287 15.999 > 41 83 O 0.31696276090477 0.23434132682473 0.95619653026144 15.999 > 42 84 O 0.81696276090477 0.23434132682473 0.95619653026144 15.999 > 42 85 O 0.18303723909523 0.76565867317527 0.04380346973856 15.999 > 43 86 O 0.68303723909523 0.76565867317527 0.04380346973856 15.999 > 43 87 O 0.34539999593530 0.49707668830361 0.65134902054713 15.999 > 44 88 O 0.84539999593530 0.49707668830361 0.65134902054713 15.999 > 44 89 O 0.28177250768332 0.00634641788000 0.39037776988415 15.999 > 45 90 O 0.78177250768332 0.00634641788000 0.39037776988415 15.999 > 45 91 O 0.21633609920569 0.24044879891137 0.11396932238256 15.999 > 46 92 O 0.71633609920569 0.24044879891137 0.11396932238256 15.999 > 46 93 O 0.39413088126375 0.99641410671761 0.84939654572355 15.999 > 47 94 O 0.89413088126375 0.99641410671761 0.84939654572355 15.999 > 47 95 O 0.28366390079431 0.74044879891137 0.38603067761744 15.999 > 48 96 O 0.78366390079431 0.74044879891137 0.38603067761744 15.999 > 48 97 O 0.21822749231668 0.50634641788000 0.10962223011585 15.999 > 49 98 O 0.71822749231668 0.50634641788000 0.10962223011585 15.999 > 49 99 O 0.39795110260392 0.24914637287284 0.74695921301275 15.999 > 50 100 O 0.89795110260392 0.24914637287284 0.74695921301275 15.999 > 50 101 O 0.38431822569800 0.74721739805268 0.72838401997348 15.999 > 51 102 O 0.88431822569800 0.74721739805268 0.72838401997348 15.999 > 51 103 O 0.31696276090477 0.26565867317527 0.45619653026144 15.999 > 52 104 O 0.81696276090477 0.26565867317527 0.45619653026144 15.999 > 52 105 O 0.34539999593530 0.00292331169639 0.15134902054713 15.999 > 53 106 O 0.84539999593530 0.00292331169639 0.15134902054713 15.999 > 53 107 O 0.39413088126375 0.50358589328239 0.34939654572355 15.999 > 54 108 O 0.89413088126375 0.50358589328239 0.34939654572355 15.999 > 54 109 O 0.46067525947292 0.00890147220772 0.60696283274794 15.999 > 55 110 O 0.96067525947292 0.00890147220772 0.60696283274794 15.999 > 55 111 O 0.39795110260392 0.25085362712716 0.24695921301275 15.999 > 56 112 O 0.89795110260392 0.25085362712716 0.24695921301275 15.999 > 56 113 O 0.38431822569800 0.75278260194732 0.22838401997348 15.999 > 57 114 O 0.88431822569800 0.75278260194732 0.22838401997348 15.999 > 57 115 O 0.46629047787946 0.73326103011803 0.52136262769008 15.999 > 58 116 O 0.96629047787946 0.73326103011803 0.52136262769008 15.999 > 58 117 O 0.46067525947292 0.49109852779229 0.10696283274794 15.999 > 59 118 O 0.96067525947292 0.49109852779229 0.10696283274794 15.999 > 59 119 O 0.46629047787946 0.76673896988197 0.02136262769008 15.999 > 60 120 O 0.96629047787946 0.76673896988197 0.02136262769008 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7222065 0.0000000 0.0149936 0.0000000 3.6931961 0.0000000 0.0150063 0.0000000 3.6192420 -------------------------- Born effective charges -------------------------- 1 Lu 4.1519954 -0.0407164 -0.0135824 -0.0401081 3.6500133 0.4554654 0.0371159 0.5744255 3.2791609 2 Lu 4.1519954 0.0407164 -0.0135824 0.0401081 3.6500133 -0.4554654 0.0371159 -0.5744255 3.2791609 3 Lu 3.9640105 0.0935597 0.0029081 0.0636184 3.7327071 -0.3630106 0.0457741 -0.3958093 3.2058630 4 Lu 3.6869202 0.0707271 0.0658005 0.0494004 3.6644698 0.2130205 0.0311730 0.1821116 3.5163914 5 Lu 3.9640105 -0.0935597 0.0029081 -0.0636184 3.7327071 0.3630106 0.0457741 0.3958093 3.2058630 6 Lu 3.6869202 -0.0707271 0.0658005 -0.0494004 3.6644698 -0.2130205 0.0311730 -0.1821116 3.5163914 7 Lu 3.7187623 -0.0058309 0.0715306 -0.0002367 3.6326456 -0.2999255 0.0451231 -0.3501991 3.5841247 8 Lu 3.7187623 0.0058309 0.0715306 0.0002367 3.6326456 0.2999255 0.0451231 0.3501991 3.5841247 9 Lu 3.7187623 0.0058309 0.0715306 0.0002367 3.6326456 0.2999255 0.0451231 0.3501991 3.5841247 10 Lu 3.7187623 -0.0058309 0.0715306 -0.0002367 3.6326456 -0.2999255 0.0451231 -0.3501991 3.5841247 11 Lu 3.6869202 -0.0707271 0.0658005 -0.0494004 3.6644698 -0.2130205 0.0311730 -0.1821116 3.5163914 12 Lu 3.9640105 -0.0935597 0.0029081 -0.0636184 3.7327071 0.3630106 0.0457741 0.3958093 3.2058630 13 Lu 3.6869202 0.0707271 0.0658005 0.0494004 3.6644698 0.2130205 0.0311730 0.1821116 3.5163914 14 Lu 3.9640105 0.0935597 0.0029081 0.0636184 3.7327071 -0.3630106 0.0457741 -0.3958093 3.2058630 15 Lu 4.1519954 0.0407164 -0.0135824 0.0401081 3.6500133 -0.4554654 0.0371159 -0.5744255 3.2791609 16 Lu 4.1519954 -0.0407164 -0.0135824 -0.0401081 3.6500133 0.4554654 0.0371159 0.5744255 3.2791609 17 Al 2.2242967 -0.1212732 0.0629275 -0.1894722 2.7045646 -0.1996205 0.0301894 -0.2669524 2.8939972 18 Al 2.2182365 -0.1306036 0.0086495 -0.1813989 2.7035704 0.2474306 -0.0083455 0.2381487 2.8225581 19 Al 2.2242967 0.1212732 0.0629275 0.1894722 2.7045646 0.1996205 0.0301894 0.2669524 2.8939972 20 Al 2.2182365 0.1306036 0.0086495 0.1813989 2.7035704 -0.2474306 -0.0083455 -0.2381487 2.8225581 21 Al 2.2182365 0.1306036 0.0086495 0.1813989 2.7035704 -0.2474306 -0.0083455 -0.2381487 2.8225581 22 Al 2.2242967 0.1212732 0.0629275 0.1894722 2.7045646 0.1996205 0.0301894 0.2669524 2.8939972 23 Al 2.2182365 -0.1306036 0.0086495 -0.1813989 2.7035704 0.2474306 -0.0083455 0.2381487 2.8225581 24 Al 2.2242967 -0.1212732 0.0629275 -0.1894722 2.7045646 -0.1996205 0.0301894 -0.2669524 2.8939972 25 O -2.0571712 0.3120736 -0.2412536 0.2484158 -2.1658561 0.0337404 -0.1588419 0.0220477 -2.2547899 26 O -2.3320304 0.0038456 -0.0381798 -0.0199852 -2.2245929 0.1815254 -0.0837075 0.1173939 -2.5332947 27 O -2.0571712 -0.3120736 -0.2412536 -0.2484158 -2.1658561 -0.0337404 -0.1588419 -0.0220477 -2.2547899 28 O -2.1758225 -0.2744812 0.1197591 -0.1567186 -2.2286714 -0.2371334 0.0635940 -0.1955855 -2.2090558 29 O -2.1006220 -0.3666669 -0.2048223 -0.2561684 -2.3055346 0.0665455 -0.1271311 0.0767792 -2.1142385 30 O -2.3320304 -0.0038456 -0.0381798 0.0199852 -2.2245929 -0.1815254 -0.0837075 -0.1173939 -2.5332947 31 O -2.3542536 0.0415484 -0.0545676 0.0796425 -2.4479928 -0.3385408 -0.0677931 -0.2676855 -1.6055621 32 O -2.3228942 -0.0082793 0.0217299 0.0416598 -2.3824599 0.2747810 0.0365937 0.2143315 -1.7010264 33 O -2.1067407 0.2375889 0.1475963 0.1758445 -2.1238677 0.1663966 0.0720472 0.1255695 -2.3669939 34 O -2.1758225 0.2744812 0.1197591 0.1567186 -2.2286714 0.2371334 0.0635940 0.1955855 -2.2090558 35 O -2.1006220 0.3666669 -0.2048223 0.2561684 -2.3055346 -0.0665455 -0.1271311 -0.0767792 -2.1142385 36 O -2.4426268 -0.0600036 0.0544971 -0.0300001 -2.3482522 0.1804878 0.0691838 0.1545155 -2.4288505 37 O -2.0720601 -0.0018577 -0.0029928 -0.0100083 -1.8607432 -0.1048502 0.0150249 -0.1362319 -2.0882834 38 O -2.3542536 -0.0415484 -0.0545676 -0.0796425 -2.4479928 0.3385408 -0.0677931 0.2676855 -1.6055621 39 O -2.0720601 0.0018577 -0.0029928 0.0100083 -1.8607432 0.1048502 0.0150249 0.1362319 -2.0882834 40 O -2.4426268 0.0600036 0.0544971 0.0300001 -2.3482522 -0.1804878 0.0691838 -0.1545155 -2.4288505 41 O -2.3228942 0.0082793 0.0217299 -0.0416598 -2.3824599 -0.2747810 0.0365937 -0.2143315 -1.7010264 42 O -2.1067407 -0.2375889 0.1475963 -0.1758445 -2.1238677 -0.1663966 0.0720472 -0.1255695 -2.3669939 43 O -2.1067407 -0.2375889 0.1475963 -0.1758445 -2.1238677 -0.1663966 0.0720472 -0.1255695 -2.3669939 44 O -2.3228942 0.0082793 0.0217299 -0.0416598 -2.3824599 -0.2747810 0.0365937 -0.2143315 -1.7010264 45 O -2.4426268 0.0600036 0.0544971 0.0300001 -2.3482522 -0.1804878 0.0691838 -0.1545155 -2.4288505 46 O -2.0720601 0.0018577 -0.0029928 0.0100083 -1.8607432 0.1048502 0.0150249 0.1362319 -2.0882834 47 O -2.3542536 -0.0415484 -0.0545676 -0.0796425 -2.4479928 0.3385408 -0.0677931 0.2676855 -1.6055621 48 O -2.0720601 -0.0018577 -0.0029928 -0.0100083 -1.8607432 -0.1048502 0.0150249 -0.1362319 -2.0882834 49 O -2.4426268 -0.0600036 0.0544971 -0.0300001 -2.3482522 0.1804878 0.0691838 0.1545155 -2.4288505 50 O -2.1006220 0.3666669 -0.2048223 0.2561684 -2.3055346 -0.0665455 -0.1271311 -0.0767792 -2.1142385 51 O -2.1758225 0.2744812 0.1197591 0.1567186 -2.2286714 0.2371334 0.0635940 0.1955855 -2.2090558 52 O -2.1067407 0.2375889 0.1475963 0.1758445 -2.1238677 0.1663966 0.0720472 0.1255695 -2.3669939 53 O -2.3228942 -0.0082793 0.0217299 0.0416598 -2.3824599 0.2747810 0.0365937 0.2143315 -1.7010264 54 O -2.3542536 0.0415484 -0.0545676 0.0796425 -2.4479928 -0.3385408 -0.0677931 -0.2676855 -1.6055621 55 O -2.3320304 -0.0038456 -0.0381798 0.0199852 -2.2245929 -0.1815254 -0.0837075 -0.1173939 -2.5332947 56 O -2.1006220 -0.3666669 -0.2048223 -0.2561684 -2.3055346 0.0665455 -0.1271311 0.0767792 -2.1142385 57 O -2.1758225 -0.2744812 0.1197591 -0.1567186 -2.2286714 -0.2371334 0.0635940 -0.1955855 -2.2090558 58 O -2.0571712 -0.3120736 -0.2412536 -0.2484158 -2.1658561 -0.0337404 -0.1588419 -0.0220477 -2.2547899 59 O -2.3320304 0.0038456 -0.0381798 -0.0199852 -2.2245929 0.1815254 -0.0837075 0.1173939 -2.5332947 60 O -2.0571712 0.3120736 -0.2412536 0.2484158 -2.1658561 0.0337404 -0.1588419 0.0220477 -2.2547899 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.452 Solver_block: 200 / 1840 - Time: 2.137 Solver_block: 300 / 1840 - Time: 2.136 Solver_block: 400 / 1840 - Time: 2.144 Solver_block: 500 / 1840 - Time: 2.156 Solver_block: 600 / 1840 - Time: 2.143 Solver_block: 700 / 1840 - Time: 2.139 Solver_block: 800 / 1840 - Time: 2.138 Solver_block: 900 / 1840 - Time: 2.145 Solver_block: 1000 / 1840 - Time: 2.147 Solver_block: 1100 / 1840 - Time: 2.142 Solver_block: 1200 / 1840 - Time: 2.144 Solver_block: 1300 / 1840 - Time: 2.144 Solver_block: 1400 / 1840 - Time: 2.147 Solver_block: 1500 / 1840 - Time: 2.146 Solver_block: 1600 / 1840 - Time: 2.143 Solver_block: 1700 / 1840 - Time: 2.143 Solver_block: 1800 / 1840 - Time: 2.142 Solver_block: 1840 / 1840 - Time: 1.060 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 41.049 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 274 eigenvectors found. (1) Complementary block size: 112 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 82), data: (1800, 112) @ (112, 82) |-- (300, 274), data: True |-- (500, 470), data: False |-- (500, 18), data: (500, 48) @ (48, 18) |-- (250, 222), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True 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 2026-01-09 03:50:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:50:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.095738870001949 0.000000000000000 0.000000000000000 b 0.000000000000000 10.181932519999998 0.000000000000000 c -3.344223254203410 0.000000000000000 10.422099179041993 Atomic positions (fractional): 1 Lu 0.02056426745468 0.10329955549066 0.80221980509860 174.967 2 Lu 0.02056426745468 0.39670044450934 0.30221980509860 174.967 3 Lu 0.16029500943402 0.88025930082059 0.58270319238339 174.967 4 Lu 0.34371022481091 0.37229265441833 0.94147883728840 174.967 5 Lu 0.16029500943402 0.61974069917941 0.08270319238339 174.967 6 Lu 0.34371022481091 0.12770734558166 0.44147883728840 174.967 7 Lu 0.47953027314526 0.61723981287893 0.71851873172722 174.967 8 Lu 0.52046972685474 0.11723981287893 0.78148126827278 174.967 9 Lu 0.47953027314526 0.88276018712107 0.21851873172722 174.967 10 Lu 0.52046972685474 0.38276018712107 0.28148126827279 174.967 11 Lu 0.65628977518910 0.87229265441834 0.55852116271160 174.967 12 Lu 0.83970499056599 0.38025930082059 0.91729680761661 174.967 13 Lu 0.65628977518910 0.62770734558166 0.05852116271160 174.967 14 Lu 0.83970499056599 0.11974069917941 0.41729680761661 174.967 15 Lu 0.97943573254532 0.60329955549066 0.69778019490140 174.967 16 Lu 0.97943573254532 0.89670044450934 0.19778019490140 174.967 17 Al 0.34438798335234 0.83154871436973 0.89177907048056 26.982 18 Al 0.21225106666659 0.32861137557491 0.62609148333649 26.982 19 Al 0.34438798335234 0.66845128563027 0.39177907048056 26.982 20 Al 0.21225106666659 0.17138862442509 0.12609148333649 26.982 21 Al 0.78774893333341 0.82861137557491 0.87390851666351 26.982 22 Al 0.65561201664766 0.33154871436973 0.60822092951944 26.982 23 Al 0.78774893333341 0.67138862442509 0.37390851666351 26.982 24 Al 0.65561201664766 0.16845128563027 0.10822092951944 26.982 25 O 0.06741904424108 0.23326103011803 0.97863737230992 15.999 26 O 0.07864948105417 0.50890147220771 0.89303716725206 15.999 27 O 0.06741904424108 0.26673896988197 0.47863737230992 15.999 28 O 0.23136354860400 0.24721739805268 0.77161598002652 15.999 29 O 0.20409779479215 0.74914637287284 0.75304078698725 15.999 30 O 0.07864948105417 0.99109852779229 0.39303716725206 15.999 31 O 0.21173823747250 0.49641410671761 0.65060345427645 15.999 32 O 0.30920000812940 0.99707668830361 0.84865097945287 15.999 33 O 0.36607447819045 0.73434132682473 0.54380346973856 15.999 34 O 0.23136354860400 0.25278260194732 0.27161598002652 15.999 35 O 0.20409779479215 0.75085362712716 0.25304078698725 15.999 36 O 0.56354501536664 0.49365358212000 0.89037776988415 15.999 37 O 0.43267219841137 0.25955120108863 0.61396932238256 15.999 38 O 0.21173823747250 0.00358589328239 0.15060345427645 15.999 39 O 0.56732780158862 0.75955120108863 0.88603067761744 15.999 40 O 0.43645498463336 0.99365358212000 0.60962223011585 15.999 41 O 0.30920000812940 0.50292331169639 0.34865097945287 15.999 42 O 0.63392552180955 0.23434132682473 0.95619653026144 15.999 43 O 0.36607447819045 0.76565867317527 0.04380346973856 15.999 44 O 0.69079999187060 0.49707668830361 0.65134902054713 15.999 45 O 0.56354501536664 0.00634641788000 0.39037776988415 15.999 46 O 0.43267219841137 0.24044879891137 0.11396932238256 15.999 47 O 0.78826176252750 0.99641410671761 0.84939654572355 15.999 48 O 0.56732780158862 0.74044879891137 0.38603067761744 15.999 49 O 0.43645498463336 0.50634641788000 0.10962223011585 15.999 50 O 0.79590220520785 0.24914637287284 0.74695921301275 15.999 51 O 0.76863645139600 0.74721739805268 0.72838401997348 15.999 52 O 0.63392552180955 0.26565867317527 0.45619653026144 15.999 53 O 0.69079999187060 0.00292331169639 0.15134902054713 15.999 54 O 0.78826176252750 0.50358589328239 0.34939654572355 15.999 55 O 0.92135051894583 0.00890147220772 0.60696283274794 15.999 56 O 0.79590220520785 0.25085362712716 0.24695921301275 15.999 57 O 0.76863645139600 0.75278260194732 0.22838401997348 15.999 58 O 0.93258095575892 0.73326103011803 0.52136262769008 15.999 59 O 0.92135051894583 0.49109852779229 0.10696283274794 15.999 60 O 0.93258095575892 0.76673896988197 0.02136262769008 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.191477740003897 0.000000000000000 0.000000000000000 b 0.000000000000000 10.181932519999998 0.000000000000000 c -3.344223254203410 0.000000000000000 10.422099179041993 Atomic positions (fractional): 1 Lu 0.01028213372734 0.10329955549066 0.80221980509860 174.967 > 1 2 Lu 0.51028213372734 0.10329955549066 0.80221980509860 174.967 > 1 3 Lu 0.01028213372734 0.39670044450934 0.30221980509860 174.967 > 3 4 Lu 0.51028213372734 0.39670044450934 0.30221980509860 174.967 > 3 5 Lu 0.08014750471701 0.88025930082059 0.58270319238339 174.967 > 5 6 Lu 0.58014750471701 0.88025930082059 0.58270319238339 174.967 > 5 7 Lu 0.17185511240545 0.37229265441833 0.94147883728840 174.967 > 7 8 Lu 0.67185511240545 0.37229265441833 0.94147883728840 174.967 > 7 9 Lu 0.08014750471701 0.61974069917941 0.08270319238339 174.967 > 9 10 Lu 0.58014750471701 0.61974069917941 0.08270319238339 174.967 > 9 11 Lu 0.17185511240545 0.12770734558166 0.44147883728840 174.967 > 11 12 Lu 0.67185511240545 0.12770734558166 0.44147883728840 174.967 > 11 13 Lu 0.23976513657263 0.61723981287893 0.71851873172722 174.967 > 13 14 Lu 0.73976513657263 0.61723981287893 0.71851873172722 174.967 > 13 15 Lu 0.26023486342737 0.11723981287893 0.78148126827278 174.967 > 15 16 Lu 0.76023486342737 0.11723981287893 0.78148126827278 174.967 > 15 17 Lu 0.23976513657263 0.88276018712107 0.21851873172722 174.967 > 17 18 Lu 0.73976513657263 0.88276018712107 0.21851873172722 174.967 > 17 19 Lu 0.26023486342737 0.38276018712107 0.28148126827279 174.967 > 19 20 Lu 0.76023486342737 0.38276018712107 0.28148126827279 174.967 > 19 21 Lu 0.32814488759455 0.87229265441834 0.55852116271160 174.967 > 21 22 Lu 0.82814488759455 0.87229265441834 0.55852116271160 174.967 > 21 23 Lu 0.41985249528299 0.38025930082059 0.91729680761661 174.967 > 23 24 Lu 0.91985249528299 0.38025930082059 0.91729680761661 174.967 > 23 25 Lu 0.32814488759455 0.62770734558166 0.05852116271160 174.967 > 25 26 Lu 0.82814488759455 0.62770734558166 0.05852116271160 174.967 > 25 27 Lu 0.41985249528299 0.11974069917941 0.41729680761661 174.967 > 27 28 Lu 0.91985249528299 0.11974069917941 0.41729680761661 174.967 > 27 29 Lu 0.48971786627266 0.60329955549066 0.69778019490140 174.967 > 29 30 Lu 0.98971786627266 0.60329955549066 0.69778019490140 174.967 > 29 31 Lu 0.48971786627266 0.89670044450934 0.19778019490140 174.967 > 31 32 Lu 0.98971786627266 0.89670044450934 0.19778019490140 174.967 > 31 33 Al 0.17219399167617 0.83154871436973 0.89177907048056 26.982 > 33 34 Al 0.67219399167617 0.83154871436973 0.89177907048056 26.982 > 33 35 Al 0.10612553333330 0.32861137557491 0.62609148333649 26.982 > 35 36 Al 0.60612553333330 0.32861137557491 0.62609148333649 26.982 > 35 37 Al 0.17219399167617 0.66845128563027 0.39177907048056 26.982 > 37 38 Al 0.67219399167617 0.66845128563027 0.39177907048056 26.982 > 37 39 Al 0.10612553333330 0.17138862442509 0.12609148333649 26.982 > 39 40 Al 0.60612553333330 0.17138862442509 0.12609148333649 26.982 > 39 41 Al 0.39387446666670 0.82861137557491 0.87390851666351 26.982 > 41 42 Al 0.89387446666670 0.82861137557491 0.87390851666351 26.982 > 41 43 Al 0.32780600832383 0.33154871436973 0.60822092951944 26.982 > 43 44 Al 0.82780600832383 0.33154871436973 0.60822092951944 26.982 > 43 45 Al 0.39387446666670 0.67138862442509 0.37390851666351 26.982 > 45 46 Al 0.89387446666670 0.67138862442509 0.37390851666351 26.982 > 45 47 Al 0.32780600832383 0.16845128563027 0.10822092951944 26.982 > 47 48 Al 0.82780600832383 0.16845128563027 0.10822092951944 26.982 > 47 49 O 0.03370952212054 0.23326103011803 0.97863737230992 15.999 > 49 50 O 0.53370952212054 0.23326103011803 0.97863737230992 15.999 > 49 51 O 0.03932474052708 0.50890147220771 0.89303716725206 15.999 > 51 52 O 0.53932474052708 0.50890147220771 0.89303716725206 15.999 > 51 53 O 0.03370952212054 0.26673896988197 0.47863737230992 15.999 > 53 54 O 0.53370952212054 0.26673896988197 0.47863737230992 15.999 > 53 55 O 0.11568177430200 0.24721739805268 0.77161598002652 15.999 > 55 56 O 0.61568177430200 0.24721739805268 0.77161598002652 15.999 > 55 57 O 0.10204889739608 0.74914637287284 0.75304078698725 15.999 > 57 58 O 0.60204889739608 0.74914637287284 0.75304078698725 15.999 > 57 59 O 0.03932474052708 0.99109852779229 0.39303716725206 15.999 > 59 60 O 0.53932474052708 0.99109852779229 0.39303716725206 15.999 > 59 61 O 0.10586911873625 0.49641410671761 0.65060345427645 15.999 > 61 62 O 0.60586911873625 0.49641410671761 0.65060345427645 15.999 > 61 63 O 0.15460000406470 0.99707668830361 0.84865097945287 15.999 > 63 64 O 0.65460000406470 0.99707668830361 0.84865097945287 15.999 > 63 65 O 0.18303723909523 0.73434132682473 0.54380346973856 15.999 > 65 66 O 0.68303723909523 0.73434132682473 0.54380346973856 15.999 > 65 67 O 0.11568177430200 0.25278260194732 0.27161598002652 15.999 > 67 68 O 0.61568177430200 0.25278260194732 0.27161598002652 15.999 > 67 69 O 0.10204889739608 0.75085362712716 0.25304078698725 15.999 > 69 70 O 0.60204889739608 0.75085362712716 0.25304078698725 15.999 > 69 71 O 0.28177250768332 0.49365358212000 0.89037776988415 15.999 > 71 72 O 0.78177250768332 0.49365358212000 0.89037776988415 15.999 > 71 73 O 0.21633609920569 0.25955120108863 0.61396932238256 15.999 > 73 74 O 0.71633609920569 0.25955120108863 0.61396932238256 15.999 > 73 75 O 0.10586911873625 0.00358589328239 0.15060345427645 15.999 > 75 76 O 0.60586911873625 0.00358589328239 0.15060345427645 15.999 > 75 77 O 0.28366390079431 0.75955120108863 0.88603067761744 15.999 > 77 78 O 0.78366390079431 0.75955120108863 0.88603067761744 15.999 > 77 79 O 0.21822749231668 0.99365358212000 0.60962223011585 15.999 > 79 80 O 0.71822749231668 0.99365358212000 0.60962223011585 15.999 > 79 81 O 0.15460000406470 0.50292331169639 0.34865097945287 15.999 > 81 82 O 0.65460000406470 0.50292331169639 0.34865097945287 15.999 > 81 83 O 0.31696276090477 0.23434132682473 0.95619653026144 15.999 > 83 84 O 0.81696276090477 0.23434132682473 0.95619653026144 15.999 > 83 85 O 0.18303723909523 0.76565867317527 0.04380346973856 15.999 > 85 86 O 0.68303723909523 0.76565867317527 0.04380346973856 15.999 > 85 87 O 0.34539999593530 0.49707668830361 0.65134902054713 15.999 > 87 88 O 0.84539999593530 0.49707668830361 0.65134902054713 15.999 > 87 89 O 0.28177250768332 0.00634641788000 0.39037776988415 15.999 > 89 90 O 0.78177250768332 0.00634641788000 0.39037776988415 15.999 > 89 91 O 0.21633609920569 0.24044879891137 0.11396932238256 15.999 > 91 92 O 0.71633609920569 0.24044879891137 0.11396932238256 15.999 > 91 93 O 0.39413088126375 0.99641410671761 0.84939654572355 15.999 > 93 94 O 0.89413088126375 0.99641410671761 0.84939654572355 15.999 > 93 95 O 0.28366390079431 0.74044879891137 0.38603067761744 15.999 > 95 96 O 0.78366390079431 0.74044879891137 0.38603067761744 15.999 > 95 97 O 0.21822749231668 0.50634641788000 0.10962223011585 15.999 > 97 98 O 0.71822749231668 0.50634641788000 0.10962223011585 15.999 > 97 99 O 0.39795110260392 0.24914637287284 0.74695921301275 15.999 > 99 100 O 0.89795110260392 0.24914637287284 0.74695921301275 15.999 > 99 101 O 0.38431822569800 0.74721739805268 0.72838401997348 15.999 > 101 102 O 0.88431822569800 0.74721739805268 0.72838401997348 15.999 > 101 103 O 0.31696276090477 0.26565867317527 0.45619653026144 15.999 > 103 104 O 0.81696276090477 0.26565867317527 0.45619653026144 15.999 > 103 105 O 0.34539999593530 0.00292331169639 0.15134902054713 15.999 > 105 106 O 0.84539999593530 0.00292331169639 0.15134902054713 15.999 > 105 107 O 0.39413088126375 0.50358589328239 0.34939654572355 15.999 > 107 108 O 0.89413088126375 0.50358589328239 0.34939654572355 15.999 > 107 109 O 0.46067525947292 0.00890147220772 0.60696283274794 15.999 > 109 110 O 0.96067525947292 0.00890147220772 0.60696283274794 15.999 > 109 111 O 0.39795110260392 0.25085362712716 0.24695921301275 15.999 > 111 112 O 0.89795110260392 0.25085362712716 0.24695921301275 15.999 > 111 113 O 0.38431822569800 0.75278260194732 0.22838401997348 15.999 > 113 114 O 0.88431822569800 0.75278260194732 0.22838401997348 15.999 > 113 115 O 0.46629047787946 0.73326103011803 0.52136262769008 15.999 > 115 116 O 0.96629047787946 0.73326103011803 0.52136262769008 15.999 > 115 117 O 0.46067525947292 0.49109852779229 0.10696283274794 15.999 > 117 118 O 0.96067525947292 0.49109852779229 0.10696283274794 15.999 > 117 119 O 0.46629047787946 0.76673896988197 0.02136262769008 15.999 > 119 120 O 0.96629047787946 0.76673896988197 0.02136262769008 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7222065 0.0000000 0.0149936 0.0000000 3.6931961 0.0000000 0.0150063 0.0000000 3.6192420 -------------------------- Born effective charges -------------------------- 1 Lu 4.1519954 -0.0407164 -0.0135824 -0.0401081 3.6500133 0.4554654 0.0371159 0.5744255 3.2791609 2 Lu 4.1519954 0.0407164 -0.0135824 0.0401081 3.6500133 -0.4554654 0.0371159 -0.5744255 3.2791609 3 Lu 3.9640105 0.0935597 0.0029081 0.0636184 3.7327071 -0.3630106 0.0457741 -0.3958093 3.2058630 4 Lu 3.6869202 0.0707271 0.0658005 0.0494004 3.6644698 0.2130205 0.0311730 0.1821116 3.5163914 5 Lu 3.9640105 -0.0935597 0.0029081 -0.0636184 3.7327071 0.3630106 0.0457741 0.3958093 3.2058630 6 Lu 3.6869202 -0.0707271 0.0658005 -0.0494004 3.6644698 -0.2130205 0.0311730 -0.1821116 3.5163914 7 Lu 3.7187623 -0.0058309 0.0715306 -0.0002367 3.6326456 -0.2999255 0.0451231 -0.3501991 3.5841247 8 Lu 3.7187623 0.0058309 0.0715306 0.0002367 3.6326456 0.2999255 0.0451231 0.3501991 3.5841247 9 Lu 3.7187623 0.0058309 0.0715306 0.0002367 3.6326456 0.2999255 0.0451231 0.3501991 3.5841247 10 Lu 3.7187623 -0.0058309 0.0715306 -0.0002367 3.6326456 -0.2999255 0.0451231 -0.3501991 3.5841247 11 Lu 3.6869202 -0.0707271 0.0658005 -0.0494004 3.6644698 -0.2130205 0.0311730 -0.1821116 3.5163914 12 Lu 3.9640105 -0.0935597 0.0029081 -0.0636184 3.7327071 0.3630106 0.0457741 0.3958093 3.2058630 13 Lu 3.6869202 0.0707271 0.0658005 0.0494004 3.6644698 0.2130205 0.0311730 0.1821116 3.5163914 14 Lu 3.9640105 0.0935597 0.0029081 0.0636184 3.7327071 -0.3630106 0.0457741 -0.3958093 3.2058630 15 Lu 4.1519954 0.0407164 -0.0135824 0.0401081 3.6500133 -0.4554654 0.0371159 -0.5744255 3.2791609 16 Lu 4.1519954 -0.0407164 -0.0135824 -0.0401081 3.6500133 0.4554654 0.0371159 0.5744255 3.2791609 17 Al 2.2242967 -0.1212732 0.0629275 -0.1894722 2.7045646 -0.1996205 0.0301894 -0.2669524 2.8939972 18 Al 2.2182365 -0.1306036 0.0086495 -0.1813989 2.7035704 0.2474306 -0.0083455 0.2381487 2.8225581 19 Al 2.2242967 0.1212732 0.0629275 0.1894722 2.7045646 0.1996205 0.0301894 0.2669524 2.8939972 20 Al 2.2182365 0.1306036 0.0086495 0.1813989 2.7035704 -0.2474306 -0.0083455 -0.2381487 2.8225581 21 Al 2.2182365 0.1306036 0.0086495 0.1813989 2.7035704 -0.2474306 -0.0083455 -0.2381487 2.8225581 22 Al 2.2242967 0.1212732 0.0629275 0.1894722 2.7045646 0.1996205 0.0301894 0.2669524 2.8939972 23 Al 2.2182365 -0.1306036 0.0086495 -0.1813989 2.7035704 0.2474306 -0.0083455 0.2381487 2.8225581 24 Al 2.2242967 -0.1212732 0.0629275 -0.1894722 2.7045646 -0.1996205 0.0301894 -0.2669524 2.8939972 25 O -2.0571712 0.3120736 -0.2412536 0.2484158 -2.1658561 0.0337404 -0.1588419 0.0220477 -2.2547899 26 O -2.3320304 0.0038456 -0.0381798 -0.0199852 -2.2245929 0.1815254 -0.0837075 0.1173939 -2.5332947 27 O -2.0571712 -0.3120736 -0.2412536 -0.2484158 -2.1658561 -0.0337404 -0.1588419 -0.0220477 -2.2547899 28 O -2.1758225 -0.2744812 0.1197591 -0.1567186 -2.2286714 -0.2371334 0.0635940 -0.1955855 -2.2090558 29 O -2.1006220 -0.3666669 -0.2048223 -0.2561684 -2.3055346 0.0665455 -0.1271311 0.0767792 -2.1142385 30 O -2.3320304 -0.0038456 -0.0381798 0.0199852 -2.2245929 -0.1815254 -0.0837075 -0.1173939 -2.5332947 31 O -2.3542536 0.0415484 -0.0545676 0.0796425 -2.4479928 -0.3385408 -0.0677931 -0.2676855 -1.6055621 32 O -2.3228942 -0.0082793 0.0217299 0.0416598 -2.3824599 0.2747810 0.0365937 0.2143315 -1.7010264 33 O -2.1067407 0.2375889 0.1475963 0.1758445 -2.1238677 0.1663966 0.0720472 0.1255695 -2.3669939 34 O -2.1758225 0.2744812 0.1197591 0.1567186 -2.2286714 0.2371334 0.0635940 0.1955855 -2.2090558 35 O -2.1006220 0.3666669 -0.2048223 0.2561684 -2.3055346 -0.0665455 -0.1271311 -0.0767792 -2.1142385 36 O -2.4426268 -0.0600036 0.0544971 -0.0300001 -2.3482522 0.1804878 0.0691838 0.1545155 -2.4288505 37 O -2.0720601 -0.0018577 -0.0029928 -0.0100083 -1.8607432 -0.1048502 0.0150249 -0.1362319 -2.0882834 38 O -2.3542536 -0.0415484 -0.0545676 -0.0796425 -2.4479928 0.3385408 -0.0677931 0.2676855 -1.6055621 39 O -2.0720601 0.0018577 -0.0029928 0.0100083 -1.8607432 0.1048502 0.0150249 0.1362319 -2.0882834 40 O -2.4426268 0.0600036 0.0544971 0.0300001 -2.3482522 -0.1804878 0.0691838 -0.1545155 -2.4288505 41 O -2.3228942 0.0082793 0.0217299 -0.0416598 -2.3824599 -0.2747810 0.0365937 -0.2143315 -1.7010264 42 O -2.1067407 -0.2375889 0.1475963 -0.1758445 -2.1238677 -0.1663966 0.0720472 -0.1255695 -2.3669939 43 O -2.1067407 -0.2375889 0.1475963 -0.1758445 -2.1238677 -0.1663966 0.0720472 -0.1255695 -2.3669939 44 O -2.3228942 0.0082793 0.0217299 -0.0416598 -2.3824599 -0.2747810 0.0365937 -0.2143315 -1.7010264 45 O -2.4426268 0.0600036 0.0544971 0.0300001 -2.3482522 -0.1804878 0.0691838 -0.1545155 -2.4288505 46 O -2.0720601 0.0018577 -0.0029928 0.0100083 -1.8607432 0.1048502 0.0150249 0.1362319 -2.0882834 47 O -2.3542536 -0.0415484 -0.0545676 -0.0796425 -2.4479928 0.3385408 -0.0677931 0.2676855 -1.6055621 48 O -2.0720601 -0.0018577 -0.0029928 -0.0100083 -1.8607432 -0.1048502 0.0150249 -0.1362319 -2.0882834 49 O -2.4426268 -0.0600036 0.0544971 -0.0300001 -2.3482522 0.1804878 0.0691838 0.1545155 -2.4288505 50 O -2.1006220 0.3666669 -0.2048223 0.2561684 -2.3055346 -0.0665455 -0.1271311 -0.0767792 -2.1142385 51 O -2.1758225 0.2744812 0.1197591 0.1567186 -2.2286714 0.2371334 0.0635940 0.1955855 -2.2090558 52 O -2.1067407 0.2375889 0.1475963 0.1758445 -2.1238677 0.1663966 0.0720472 0.1255695 -2.3669939 53 O -2.3228942 -0.0082793 0.0217299 0.0416598 -2.3824599 0.2747810 0.0365937 0.2143315 -1.7010264 54 O -2.3542536 0.0415484 -0.0545676 0.0796425 -2.4479928 -0.3385408 -0.0677931 -0.2676855 -1.6055621 55 O -2.3320304 -0.0038456 -0.0381798 0.0199852 -2.2245929 -0.1815254 -0.0837075 -0.1173939 -2.5332947 56 O -2.1006220 -0.3666669 -0.2048223 -0.2561684 -2.3055346 0.0665455 -0.1271311 0.0767792 -2.1142385 57 O -2.1758225 -0.2744812 0.1197591 -0.1567186 -2.2286714 -0.2371334 0.0635940 -0.1955855 -2.2090558 58 O -2.0571712 -0.3120736 -0.2412536 -0.2484158 -2.1658561 -0.0337404 -0.1588419 -0.0220477 -2.2547899 59 O -2.3320304 0.0038456 -0.0381798 -0.0199852 -2.2245929 0.1815254 -0.0837075 0.1173939 -2.5332947 60 O -2.0571712 0.3120736 -0.2412536 0.2484158 -2.1658561 0.0337404 -0.1588419 0.0220477 -2.2547899 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 5, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 7, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 13, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 2026-01-09 03:51:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:52:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.095738870001949 0.000000000000000 0.000000000000000 b 0.000000000000000 10.181932519999998 0.000000000000000 c -3.344223254203410 0.000000000000000 10.422099179041993 Atomic positions (fractional): 1 Lu 0.02056426745468 0.10329955549066 0.80221980509860 174.967 2 Lu 0.02056426745468 0.39670044450934 0.30221980509860 174.967 3 Lu 0.16029500943402 0.88025930082059 0.58270319238339 174.967 4 Lu 0.34371022481091 0.37229265441833 0.94147883728840 174.967 5 Lu 0.16029500943402 0.61974069917941 0.08270319238339 174.967 6 Lu 0.34371022481091 0.12770734558166 0.44147883728840 174.967 7 Lu 0.47953027314526 0.61723981287893 0.71851873172722 174.967 8 Lu 0.52046972685474 0.11723981287893 0.78148126827278 174.967 9 Lu 0.47953027314526 0.88276018712107 0.21851873172722 174.967 10 Lu 0.52046972685474 0.38276018712107 0.28148126827279 174.967 11 Lu 0.65628977518910 0.87229265441834 0.55852116271160 174.967 12 Lu 0.83970499056599 0.38025930082059 0.91729680761661 174.967 13 Lu 0.65628977518910 0.62770734558166 0.05852116271160 174.967 14 Lu 0.83970499056599 0.11974069917941 0.41729680761661 174.967 15 Lu 0.97943573254532 0.60329955549066 0.69778019490140 174.967 16 Lu 0.97943573254532 0.89670044450934 0.19778019490140 174.967 17 Al 0.34438798335234 0.83154871436973 0.89177907048056 26.982 18 Al 0.21225106666659 0.32861137557491 0.62609148333649 26.982 19 Al 0.34438798335234 0.66845128563027 0.39177907048056 26.982 20 Al 0.21225106666659 0.17138862442509 0.12609148333649 26.982 21 Al 0.78774893333341 0.82861137557491 0.87390851666351 26.982 22 Al 0.65561201664766 0.33154871436973 0.60822092951944 26.982 23 Al 0.78774893333341 0.67138862442509 0.37390851666351 26.982 24 Al 0.65561201664766 0.16845128563027 0.10822092951944 26.982 25 O 0.06741904424108 0.23326103011803 0.97863737230992 15.999 26 O 0.07864948105417 0.50890147220771 0.89303716725206 15.999 27 O 0.06741904424108 0.26673896988197 0.47863737230992 15.999 28 O 0.23136354860400 0.24721739805268 0.77161598002652 15.999 29 O 0.20409779479215 0.74914637287284 0.75304078698725 15.999 30 O 0.07864948105417 0.99109852779229 0.39303716725206 15.999 31 O 0.21173823747250 0.49641410671761 0.65060345427645 15.999 32 O 0.30920000812940 0.99707668830361 0.84865097945287 15.999 33 O 0.36607447819045 0.73434132682473 0.54380346973856 15.999 34 O 0.23136354860400 0.25278260194732 0.27161598002652 15.999 35 O 0.20409779479215 0.75085362712716 0.25304078698725 15.999 36 O 0.56354501536664 0.49365358212000 0.89037776988415 15.999 37 O 0.43267219841137 0.25955120108863 0.61396932238256 15.999 38 O 0.21173823747250 0.00358589328239 0.15060345427645 15.999 39 O 0.56732780158862 0.75955120108863 0.88603067761744 15.999 40 O 0.43645498463336 0.99365358212000 0.60962223011585 15.999 41 O 0.30920000812940 0.50292331169639 0.34865097945287 15.999 42 O 0.63392552180955 0.23434132682473 0.95619653026144 15.999 43 O 0.36607447819045 0.76565867317527 0.04380346973856 15.999 44 O 0.69079999187060 0.49707668830361 0.65134902054713 15.999 45 O 0.56354501536664 0.00634641788000 0.39037776988415 15.999 46 O 0.43267219841137 0.24044879891137 0.11396932238256 15.999 47 O 0.78826176252750 0.99641410671761 0.84939654572355 15.999 48 O 0.56732780158862 0.74044879891137 0.38603067761744 15.999 49 O 0.43645498463336 0.50634641788000 0.10962223011585 15.999 50 O 0.79590220520785 0.24914637287284 0.74695921301275 15.999 51 O 0.76863645139600 0.74721739805268 0.72838401997348 15.999 52 O 0.63392552180955 0.26565867317527 0.45619653026144 15.999 53 O 0.69079999187060 0.00292331169639 0.15134902054713 15.999 54 O 0.78826176252750 0.50358589328239 0.34939654572355 15.999 55 O 0.92135051894583 0.00890147220772 0.60696283274794 15.999 56 O 0.79590220520785 0.25085362712716 0.24695921301275 15.999 57 O 0.76863645139600 0.75278260194732 0.22838401997348 15.999 58 O 0.93258095575892 0.73326103011803 0.52136262769008 15.999 59 O 0.92135051894583 0.49109852779229 0.10696283274794 15.999 60 O 0.93258095575892 0.76673896988197 0.02136262769008 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.191477740003897 0.000000000000000 0.000000000000000 b 0.000000000000000 10.181932519999998 0.000000000000000 c -3.344223254203410 0.000000000000000 10.422099179041993 Atomic positions (fractional): 1 Lu 0.01028213372734 0.10329955549066 0.80221980509860 174.967 > 1 2 Lu 0.51028213372734 0.10329955549066 0.80221980509860 174.967 > 1 3 Lu 0.01028213372734 0.39670044450934 0.30221980509860 174.967 > 3 4 Lu 0.51028213372734 0.39670044450934 0.30221980509860 174.967 > 3 5 Lu 0.08014750471701 0.88025930082059 0.58270319238339 174.967 > 5 6 Lu 0.58014750471701 0.88025930082059 0.58270319238339 174.967 > 5 7 Lu 0.17185511240545 0.37229265441833 0.94147883728840 174.967 > 7 8 Lu 0.67185511240545 0.37229265441833 0.94147883728840 174.967 > 7 9 Lu 0.08014750471701 0.61974069917941 0.08270319238339 174.967 > 9 10 Lu 0.58014750471701 0.61974069917941 0.08270319238339 174.967 > 9 11 Lu 0.17185511240545 0.12770734558166 0.44147883728840 174.967 > 11 12 Lu 0.67185511240545 0.12770734558166 0.44147883728840 174.967 > 11 13 Lu 0.23976513657263 0.61723981287893 0.71851873172722 174.967 > 13 14 Lu 0.73976513657263 0.61723981287893 0.71851873172722 174.967 > 13 15 Lu 0.26023486342737 0.11723981287893 0.78148126827278 174.967 > 15 16 Lu 0.76023486342737 0.11723981287893 0.78148126827278 174.967 > 15 17 Lu 0.23976513657263 0.88276018712107 0.21851873172722 174.967 > 17 18 Lu 0.73976513657263 0.88276018712107 0.21851873172722 174.967 > 17 19 Lu 0.26023486342737 0.38276018712107 0.28148126827279 174.967 > 19 20 Lu 0.76023486342737 0.38276018712107 0.28148126827279 174.967 > 19 21 Lu 0.32814488759455 0.87229265441834 0.55852116271160 174.967 > 21 22 Lu 0.82814488759455 0.87229265441834 0.55852116271160 174.967 > 21 23 Lu 0.41985249528299 0.38025930082059 0.91729680761661 174.967 > 23 24 Lu 0.91985249528299 0.38025930082059 0.91729680761661 174.967 > 23 25 Lu 0.32814488759455 0.62770734558166 0.05852116271160 174.967 > 25 26 Lu 0.82814488759455 0.62770734558166 0.05852116271160 174.967 > 25 27 Lu 0.41985249528299 0.11974069917941 0.41729680761661 174.967 > 27 28 Lu 0.91985249528299 0.11974069917941 0.41729680761661 174.967 > 27 29 Lu 0.48971786627266 0.60329955549066 0.69778019490140 174.967 > 29 30 Lu 0.98971786627266 0.60329955549066 0.69778019490140 174.967 > 29 31 Lu 0.48971786627266 0.89670044450934 0.19778019490140 174.967 > 31 32 Lu 0.98971786627266 0.89670044450934 0.19778019490140 174.967 > 31 33 Al 0.17219399167617 0.83154871436973 0.89177907048056 26.982 > 33 34 Al 0.67219399167617 0.83154871436973 0.89177907048056 26.982 > 33 35 Al 0.10612553333330 0.32861137557491 0.62609148333649 26.982 > 35 36 Al 0.60612553333330 0.32861137557491 0.62609148333649 26.982 > 35 37 Al 0.17219399167617 0.66845128563027 0.39177907048056 26.982 > 37 38 Al 0.67219399167617 0.66845128563027 0.39177907048056 26.982 > 37 39 Al 0.10612553333330 0.17138862442509 0.12609148333649 26.982 > 39 40 Al 0.60612553333330 0.17138862442509 0.12609148333649 26.982 > 39 41 Al 0.39387446666670 0.82861137557491 0.87390851666351 26.982 > 41 42 Al 0.89387446666670 0.82861137557491 0.87390851666351 26.982 > 41 43 Al 0.32780600832383 0.33154871436973 0.60822092951944 26.982 > 43 44 Al 0.82780600832383 0.33154871436973 0.60822092951944 26.982 > 43 45 Al 0.39387446666670 0.67138862442509 0.37390851666351 26.982 > 45 46 Al 0.89387446666670 0.67138862442509 0.37390851666351 26.982 > 45 47 Al 0.32780600832383 0.16845128563027 0.10822092951944 26.982 > 47 48 Al 0.82780600832383 0.16845128563027 0.10822092951944 26.982 > 47 49 O 0.03370952212054 0.23326103011803 0.97863737230992 15.999 > 49 50 O 0.53370952212054 0.23326103011803 0.97863737230992 15.999 > 49 51 O 0.03932474052708 0.50890147220771 0.89303716725206 15.999 > 51 52 O 0.53932474052708 0.50890147220771 0.89303716725206 15.999 > 51 53 O 0.03370952212054 0.26673896988197 0.47863737230992 15.999 > 53 54 O 0.53370952212054 0.26673896988197 0.47863737230992 15.999 > 53 55 O 0.11568177430200 0.24721739805268 0.77161598002652 15.999 > 55 56 O 0.61568177430200 0.24721739805268 0.77161598002652 15.999 > 55 57 O 0.10204889739608 0.74914637287284 0.75304078698725 15.999 > 57 58 O 0.60204889739608 0.74914637287284 0.75304078698725 15.999 > 57 59 O 0.03932474052708 0.99109852779229 0.39303716725206 15.999 > 59 60 O 0.53932474052708 0.99109852779229 0.39303716725206 15.999 > 59 61 O 0.10586911873625 0.49641410671761 0.65060345427645 15.999 > 61 62 O 0.60586911873625 0.49641410671761 0.65060345427645 15.999 > 61 63 O 0.15460000406470 0.99707668830361 0.84865097945287 15.999 > 63 64 O 0.65460000406470 0.99707668830361 0.84865097945287 15.999 > 63 65 O 0.18303723909523 0.73434132682473 0.54380346973856 15.999 > 65 66 O 0.68303723909523 0.73434132682473 0.54380346973856 15.999 > 65 67 O 0.11568177430200 0.25278260194732 0.27161598002652 15.999 > 67 68 O 0.61568177430200 0.25278260194732 0.27161598002652 15.999 > 67 69 O 0.10204889739608 0.75085362712716 0.25304078698725 15.999 > 69 70 O 0.60204889739608 0.75085362712716 0.25304078698725 15.999 > 69 71 O 0.28177250768332 0.49365358212000 0.89037776988415 15.999 > 71 72 O 0.78177250768332 0.49365358212000 0.89037776988415 15.999 > 71 73 O 0.21633609920569 0.25955120108863 0.61396932238256 15.999 > 73 74 O 0.71633609920569 0.25955120108863 0.61396932238256 15.999 > 73 75 O 0.10586911873625 0.00358589328239 0.15060345427645 15.999 > 75 76 O 0.60586911873625 0.00358589328239 0.15060345427645 15.999 > 75 77 O 0.28366390079431 0.75955120108863 0.88603067761744 15.999 > 77 78 O 0.78366390079431 0.75955120108863 0.88603067761744 15.999 > 77 79 O 0.21822749231668 0.99365358212000 0.60962223011585 15.999 > 79 80 O 0.71822749231668 0.99365358212000 0.60962223011585 15.999 > 79 81 O 0.15460000406470 0.50292331169639 0.34865097945287 15.999 > 81 82 O 0.65460000406470 0.50292331169639 0.34865097945287 15.999 > 81 83 O 0.31696276090477 0.23434132682473 0.95619653026144 15.999 > 83 84 O 0.81696276090477 0.23434132682473 0.95619653026144 15.999 > 83 85 O 0.18303723909523 0.76565867317527 0.04380346973856 15.999 > 85 86 O 0.68303723909523 0.76565867317527 0.04380346973856 15.999 > 85 87 O 0.34539999593530 0.49707668830361 0.65134902054713 15.999 > 87 88 O 0.84539999593530 0.49707668830361 0.65134902054713 15.999 > 87 89 O 0.28177250768332 0.00634641788000 0.39037776988415 15.999 > 89 90 O 0.78177250768332 0.00634641788000 0.39037776988415 15.999 > 89 91 O 0.21633609920569 0.24044879891137 0.11396932238256 15.999 > 91 92 O 0.71633609920569 0.24044879891137 0.11396932238256 15.999 > 91 93 O 0.39413088126375 0.99641410671761 0.84939654572355 15.999 > 93 94 O 0.89413088126375 0.99641410671761 0.84939654572355 15.999 > 93 95 O 0.28366390079431 0.74044879891137 0.38603067761744 15.999 > 95 96 O 0.78366390079431 0.74044879891137 0.38603067761744 15.999 > 95 97 O 0.21822749231668 0.50634641788000 0.10962223011585 15.999 > 97 98 O 0.71822749231668 0.50634641788000 0.10962223011585 15.999 > 97 99 O 0.39795110260392 0.24914637287284 0.74695921301275 15.999 > 99 100 O 0.89795110260392 0.24914637287284 0.74695921301275 15.999 > 99 101 O 0.38431822569800 0.74721739805268 0.72838401997348 15.999 > 101 102 O 0.88431822569800 0.74721739805268 0.72838401997348 15.999 > 101 103 O 0.31696276090477 0.26565867317527 0.45619653026144 15.999 > 103 104 O 0.81696276090477 0.26565867317527 0.45619653026144 15.999 > 103 105 O 0.34539999593530 0.00292331169639 0.15134902054713 15.999 > 105 106 O 0.84539999593530 0.00292331169639 0.15134902054713 15.999 > 105 107 O 0.39413088126375 0.50358589328239 0.34939654572355 15.999 > 107 108 O 0.89413088126375 0.50358589328239 0.34939654572355 15.999 > 107 109 O 0.46067525947292 0.00890147220772 0.60696283274794 15.999 > 109 110 O 0.96067525947292 0.00890147220772 0.60696283274794 15.999 > 109 111 O 0.39795110260392 0.25085362712716 0.24695921301275 15.999 > 111 112 O 0.89795110260392 0.25085362712716 0.24695921301275 15.999 > 111 113 O 0.38431822569800 0.75278260194732 0.22838401997348 15.999 > 113 114 O 0.88431822569800 0.75278260194732 0.22838401997348 15.999 > 113 115 O 0.46629047787946 0.73326103011803 0.52136262769008 15.999 > 115 116 O 0.96629047787946 0.73326103011803 0.52136262769008 15.999 > 115 117 O 0.46067525947292 0.49109852779229 0.10696283274794 15.999 > 117 118 O 0.96067525947292 0.49109852779229 0.10696283274794 15.999 > 117 119 O 0.46629047787946 0.76673896988197 0.02136262769008 15.999 > 119 120 O 0.96629047787946 0.76673896988197 0.02136262769008 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7222065 0.0000000 0.0149936 0.0000000 3.6931961 0.0000000 0.0150063 0.0000000 3.6192420 -------------------------- Born effective charges -------------------------- 1 Lu 4.1519954 -0.0407164 -0.0135824 -0.0401081 3.6500133 0.4554654 0.0371159 0.5744255 3.2791609 2 Lu 4.1519954 0.0407164 -0.0135824 0.0401081 3.6500133 -0.4554654 0.0371159 -0.5744255 3.2791609 3 Lu 3.9640105 0.0935597 0.0029081 0.0636184 3.7327071 -0.3630106 0.0457741 -0.3958093 3.2058630 4 Lu 3.6869202 0.0707271 0.0658005 0.0494004 3.6644698 0.2130205 0.0311730 0.1821116 3.5163914 5 Lu 3.9640105 -0.0935597 0.0029081 -0.0636184 3.7327071 0.3630106 0.0457741 0.3958093 3.2058630 6 Lu 3.6869202 -0.0707271 0.0658005 -0.0494004 3.6644698 -0.2130205 0.0311730 -0.1821116 3.5163914 7 Lu 3.7187623 -0.0058309 0.0715306 -0.0002367 3.6326456 -0.2999255 0.0451231 -0.3501991 3.5841247 8 Lu 3.7187623 0.0058309 0.0715306 0.0002367 3.6326456 0.2999255 0.0451231 0.3501991 3.5841247 9 Lu 3.7187623 0.0058309 0.0715306 0.0002367 3.6326456 0.2999255 0.0451231 0.3501991 3.5841247 10 Lu 3.7187623 -0.0058309 0.0715306 -0.0002367 3.6326456 -0.2999255 0.0451231 -0.3501991 3.5841247 11 Lu 3.6869202 -0.0707271 0.0658005 -0.0494004 3.6644698 -0.2130205 0.0311730 -0.1821116 3.5163914 12 Lu 3.9640105 -0.0935597 0.0029081 -0.0636184 3.7327071 0.3630106 0.0457741 0.3958093 3.2058630 13 Lu 3.6869202 0.0707271 0.0658005 0.0494004 3.6644698 0.2130205 0.0311730 0.1821116 3.5163914 14 Lu 3.9640105 0.0935597 0.0029081 0.0636184 3.7327071 -0.3630106 0.0457741 -0.3958093 3.2058630 15 Lu 4.1519954 0.0407164 -0.0135824 0.0401081 3.6500133 -0.4554654 0.0371159 -0.5744255 3.2791609 16 Lu 4.1519954 -0.0407164 -0.0135824 -0.0401081 3.6500133 0.4554654 0.0371159 0.5744255 3.2791609 17 Al 2.2242967 -0.1212732 0.0629275 -0.1894722 2.7045646 -0.1996205 0.0301894 -0.2669524 2.8939972 18 Al 2.2182365 -0.1306036 0.0086495 -0.1813989 2.7035704 0.2474306 -0.0083455 0.2381487 2.8225581 19 Al 2.2242967 0.1212732 0.0629275 0.1894722 2.7045646 0.1996205 0.0301894 0.2669524 2.8939972 20 Al 2.2182365 0.1306036 0.0086495 0.1813989 2.7035704 -0.2474306 -0.0083455 -0.2381487 2.8225581 21 Al 2.2182365 0.1306036 0.0086495 0.1813989 2.7035704 -0.2474306 -0.0083455 -0.2381487 2.8225581 22 Al 2.2242967 0.1212732 0.0629275 0.1894722 2.7045646 0.1996205 0.0301894 0.2669524 2.8939972 23 Al 2.2182365 -0.1306036 0.0086495 -0.1813989 2.7035704 0.2474306 -0.0083455 0.2381487 2.8225581 24 Al 2.2242967 -0.1212732 0.0629275 -0.1894722 2.7045646 -0.1996205 0.0301894 -0.2669524 2.8939972 25 O -2.0571712 0.3120736 -0.2412536 0.2484158 -2.1658561 0.0337404 -0.1588419 0.0220477 -2.2547899 26 O -2.3320304 0.0038456 -0.0381798 -0.0199852 -2.2245929 0.1815254 -0.0837075 0.1173939 -2.5332947 27 O -2.0571712 -0.3120736 -0.2412536 -0.2484158 -2.1658561 -0.0337404 -0.1588419 -0.0220477 -2.2547899 28 O -2.1758225 -0.2744812 0.1197591 -0.1567186 -2.2286714 -0.2371334 0.0635940 -0.1955855 -2.2090558 29 O -2.1006220 -0.3666669 -0.2048223 -0.2561684 -2.3055346 0.0665455 -0.1271311 0.0767792 -2.1142385 30 O -2.3320304 -0.0038456 -0.0381798 0.0199852 -2.2245929 -0.1815254 -0.0837075 -0.1173939 -2.5332947 31 O -2.3542536 0.0415484 -0.0545676 0.0796425 -2.4479928 -0.3385408 -0.0677931 -0.2676855 -1.6055621 32 O -2.3228942 -0.0082793 0.0217299 0.0416598 -2.3824599 0.2747810 0.0365937 0.2143315 -1.7010264 33 O -2.1067407 0.2375889 0.1475963 0.1758445 -2.1238677 0.1663966 0.0720472 0.1255695 -2.3669939 34 O -2.1758225 0.2744812 0.1197591 0.1567186 -2.2286714 0.2371334 0.0635940 0.1955855 -2.2090558 35 O -2.1006220 0.3666669 -0.2048223 0.2561684 -2.3055346 -0.0665455 -0.1271311 -0.0767792 -2.1142385 36 O -2.4426268 -0.0600036 0.0544971 -0.0300001 -2.3482522 0.1804878 0.0691838 0.1545155 -2.4288505 37 O -2.0720601 -0.0018577 -0.0029928 -0.0100083 -1.8607432 -0.1048502 0.0150249 -0.1362319 -2.0882834 38 O -2.3542536 -0.0415484 -0.0545676 -0.0796425 -2.4479928 0.3385408 -0.0677931 0.2676855 -1.6055621 39 O -2.0720601 0.0018577 -0.0029928 0.0100083 -1.8607432 0.1048502 0.0150249 0.1362319 -2.0882834 40 O -2.4426268 0.0600036 0.0544971 0.0300001 -2.3482522 -0.1804878 0.0691838 -0.1545155 -2.4288505 41 O -2.3228942 0.0082793 0.0217299 -0.0416598 -2.3824599 -0.2747810 0.0365937 -0.2143315 -1.7010264 42 O -2.1067407 -0.2375889 0.1475963 -0.1758445 -2.1238677 -0.1663966 0.0720472 -0.1255695 -2.3669939 43 O -2.1067407 -0.2375889 0.1475963 -0.1758445 -2.1238677 -0.1663966 0.0720472 -0.1255695 -2.3669939 44 O -2.3228942 0.0082793 0.0217299 -0.0416598 -2.3824599 -0.2747810 0.0365937 -0.2143315 -1.7010264 45 O -2.4426268 0.0600036 0.0544971 0.0300001 -2.3482522 -0.1804878 0.0691838 -0.1545155 -2.4288505 46 O -2.0720601 0.0018577 -0.0029928 0.0100083 -1.8607432 0.1048502 0.0150249 0.1362319 -2.0882834 47 O -2.3542536 -0.0415484 -0.0545676 -0.0796425 -2.4479928 0.3385408 -0.0677931 0.2676855 -1.6055621 48 O -2.0720601 -0.0018577 -0.0029928 -0.0100083 -1.8607432 -0.1048502 0.0150249 -0.1362319 -2.0882834 49 O -2.4426268 -0.0600036 0.0544971 -0.0300001 -2.3482522 0.1804878 0.0691838 0.1545155 -2.4288505 50 O -2.1006220 0.3666669 -0.2048223 0.2561684 -2.3055346 -0.0665455 -0.1271311 -0.0767792 -2.1142385 51 O -2.1758225 0.2744812 0.1197591 0.1567186 -2.2286714 0.2371334 0.0635940 0.1955855 -2.2090558 52 O -2.1067407 0.2375889 0.1475963 0.1758445 -2.1238677 0.1663966 0.0720472 0.1255695 -2.3669939 53 O -2.3228942 -0.0082793 0.0217299 0.0416598 -2.3824599 0.2747810 0.0365937 0.2143315 -1.7010264 54 O -2.3542536 0.0415484 -0.0545676 0.0796425 -2.4479928 -0.3385408 -0.0677931 -0.2676855 -1.6055621 55 O -2.3320304 -0.0038456 -0.0381798 0.0199852 -2.2245929 -0.1815254 -0.0837075 -0.1173939 -2.5332947 56 O -2.1006220 -0.3666669 -0.2048223 -0.2561684 -2.3055346 0.0665455 -0.1271311 0.0767792 -2.1142385 57 O -2.1758225 -0.2744812 0.1197591 -0.1567186 -2.2286714 -0.2371334 0.0635940 -0.1955855 -2.2090558 58 O -2.0571712 -0.3120736 -0.2412536 -0.2484158 -2.1658561 -0.0337404 -0.1588419 -0.0220477 -2.2547899 59 O -2.3320304 0.0038456 -0.0381798 -0.0199852 -2.2245929 0.1815254 -0.0837075 0.1173939 -2.5332947 60 O -2.0571712 0.3120736 -0.2412536 0.2484158 -2.1658561 0.0337404 -0.1588419 0.0220477 -2.2547899 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 ... [ 7 5 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: 0.46, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.279 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.182 ( 0.000 0.000 0.000) 0.000 5.278 ( 0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.451 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.307 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.690 ( 0.000 0.000 0.000) 0.000 7.694 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.587 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.385 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 9.673 ( 0.000 0.000 0.000) 0.000 9.742 ( 0.000 0.000 0.000) 0.000 9.747 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 9.940 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.095 ( 0.000 0.000 0.000) 0.000 10.109 ( 0.000 0.000 0.000) 0.000 10.225 ( 0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.479 ( 0.000 0.000 0.000) 0.000 10.558 ( 0.000 0.000 0.000) 0.000 10.816 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 10.938 ( 0.000 0.000 0.000) 0.000 11.010 ( 0.000 0.000 0.000) 0.000 11.077 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 11.229 ( 0.000 0.000 0.000) 0.000 11.271 ( 0.000 0.000 0.000) 0.000 11.329 ( 0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 0.000) 0.000 11.656 ( 0.000 0.000 0.000) 0.000 11.725 ( 0.000 0.000 0.000) 0.000 11.750 ( 0.000 0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 11.864 ( 0.000 0.000 0.000) 0.000 11.923 ( 0.000 0.000 0.000) 0.000 12.044 ( 0.000 0.000 0.000) 0.000 12.098 ( 0.000 0.000 0.000) 0.000 12.184 ( 0.000 0.000 0.000) 0.000 12.314 ( 0.000 0.000 0.000) 0.000 12.391 ( 0.000 0.000 0.000) 0.000 12.398 ( 0.000 0.000 0.000) 0.000 12.490 ( 0.000 0.000 0.000) 0.000 12.515 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 12.749 ( 0.000 0.000 0.000) 0.000 12.896 ( 0.000 0.000 0.000) 0.000 12.930 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000 13.297 ( 0.000 0.000 0.000) 0.000 13.438 ( 0.000 0.000 0.000) 0.000 13.444 ( 0.000 0.000 0.000) 0.000 13.709 ( 0.000 0.000 0.000) 0.000 13.821 ( 0.000 0.000 0.000) 0.000 13.826 ( 0.000 0.000 0.000) 0.000 14.049 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 14.642 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 14.779 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 15.079 ( 0.000 0.000 0.000) 0.000 15.117 ( 0.000 0.000 0.000) 0.000 15.160 ( 0.000 0.000 0.000) 0.000 15.497 ( 0.000 0.000 0.000) 0.000 15.567 ( 0.000 0.000 0.000) 0.000 15.821 ( 0.000 0.000 0.000) 0.000 16.165 ( 0.000 0.000 0.000) 0.000 16.306 ( 0.000 0.000 0.000) 0.000 16.314 ( 0.000 0.000 0.000) 0.000 16.654 ( 0.000 0.000 0.000) 0.000 16.872 ( 0.000 0.000 0.000) 0.000 17.162 ( 0.000 0.000 0.000) 0.000 17.967 ( 0.000 0.000 0.000) 0.000 18.188 ( 0.000 0.000 0.000) 0.000 18.388 ( 0.000 0.000 0.000) 0.000 18.397 ( 0.000 0.000 0.000) 0.000 21.005 ( 0.000 0.000 0.000) 0.000 21.073 ( 0.000 0.000 0.000) 0.000 21.258 ( 0.000 0.000 0.000) 0.000 21.482 ( 0.000 0.000 0.000) 0.000 21.937 ( 0.000 0.000 0.000) 0.000 22.338 ( 0.000 0.000 0.000) 0.000 22.354 ( 0.000 0.000 0.000) 0.000 22.680 ( 0.000 0.000 0.000) 0.000 22.773 ( 0.000 0.000 0.000) 0.000 22.909 ( 0.000 0.000 0.000) 0.000 23.186 ( 0.000 0.000 0.000) 0.000 23.242 ( 0.000 0.000 0.000) 0.000 23.605 ( 0.000 0.000 0.000) 0.000 23.610 ( 0.000 0.000 0.000) 0.000 23.703 ( 0.000 0.000 0.000) 0.000 23.995 ( 0.000 0.000 0.000) 0.000 24.059 ( 0.000 0.000 0.000) 0.000 24.594 ( 0.000 0.000 0.000) 0.000 24.621 ( 0.000 0.000 0.000) 0.000 24.729 ( 0.000 0.000 0.000) 0.000 25.071 ( 0.000 0.000 0.000) 0.000 25.689 ( 0.000 0.000 0.000) 0.000 26.054 ( 0.000 0.000 0.000) 0.000 26.347 ( 0.000 0.000 0.000) 0.000 26.743 ( 0.000 0.000 0.000) 0.000 26.769 ( 0.000 0.000 0.000) 0.000 26.796 ( 0.000 0.000 0.000) 0.000 26.897 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 29.096 0.000 3.553) 29.312 0.646 ( 28.002 0.000 11.397) 30.233 1.190 ( 49.612 0.000 18.709) 53.022 1.751 ( -5.249 0.000 -7.231) 8.935 2.006 ( 5.867 0.000 6.253) 8.575 2.062 ( 0.741 0.000 -1.066) 1.298 2.071 ( 1.781 0.000 -1.459) 2.302 2.093 ( 2.537 0.000 -0.496) 2.585 2.202 ( 3.652 0.000 2.764) 4.580 2.301 ( -1.463 0.000 0.562) 1.568 2.371 ( 3.137 0.000 0.237) 3.146 2.427 ( -1.794 0.000 -3.977) 4.362 2.544 ( 5.942 0.000 -0.885) 6.007 2.610 ( 1.922 0.000 -7.439) 7.683 2.612 ( 0.536 0.000 1.930) 2.003 2.653 ( 3.654 0.000 -1.281) 3.872 2.746 ( 3.379 0.000 0.204) 3.385 2.884 ( -0.276 0.000 -0.677) 0.731 2.899 ( 4.255 0.000 -1.454) 4.496 2.943 ( 1.098 0.000 -2.074) 2.347 2.948 ( 1.331 0.000 3.251) 3.513 3.004 ( -0.129 0.000 4.319) 4.321 3.108 ( -0.555 0.000 -0.342) 0.652 3.170 ( 5.504 0.000 -0.714) 5.550 3.201 ( -5.325 0.000 0.244) 5.330 3.253 ( -2.444 0.000 1.394) 2.813 3.430 ( 2.079 0.000 -2.876) 3.549 3.449 ( -0.161 0.000 1.632) 1.640 3.544 ( -1.925 0.000 -3.409) 3.915 3.589 ( 1.268 0.000 5.333) 5.481 3.652 ( 3.475 0.000 -2.231) 4.130 3.674 ( -5.205 0.000 -3.661) 6.363 3.802 ( -3.250 0.000 -0.421) 3.277 3.944 ( 2.678 0.000 2.553) 3.700 3.947 ( 3.378 0.000 4.420) 5.563 4.222 ( 0.785 0.000 -2.841) 2.948 4.223 ( -4.632 0.000 -8.274) 9.483 4.311 ( -5.567 0.000 -3.563) 6.610 4.350 ( 5.223 0.000 0.771) 5.279 4.536 ( -8.389 0.000 -3.689) 9.164 4.654 ( 3.689 0.000 -2.284) 4.339 4.683 ( -3.454 0.000 -4.356) 5.559 4.819 ( -1.762 0.000 3.614) 4.020 4.873 ( 3.437 0.000 -4.686) 5.811 4.978 ( 1.422 0.000 -4.787) 4.993 5.059 ( 2.151 0.000 7.903) 8.191 5.066 ( -7.318 0.000 -3.844) 8.266 5.291 ( -4.163 0.000 -4.647) 6.240 5.333 ( 1.982 0.000 6.447) 6.745 5.342 ( 1.534 0.000 2.611) 3.028 5.403 ( -1.588 0.000 -0.008) 1.588 5.475 ( -1.144 0.000 -2.096) 2.388 5.766 ( -2.497 0.000 2.743) 3.709 5.807 ( 5.284 0.000 1.461) 5.482 5.872 ( 2.268 0.000 4.898) 5.397 6.153 ( 0.836 0.000 0.170) 0.853 6.328 ( -1.642 0.000 -14.771) 14.862 6.382 ( -8.888 0.000 19.633) 21.551 6.436 ( -4.438 0.000 12.788) 13.536 6.716 ( -1.150 0.000 -4.204) 4.359 6.995 ( -2.808 0.000 -0.874) 2.941 7.012 ( -6.879 0.000 7.755) 10.366 7.039 ( -13.211 0.000 -9.660) 16.366 7.164 ( -13.914 0.000 0.091) 13.915 7.582 ( -11.657 0.000 5.903) 13.066 7.645 ( -6.705 0.000 -4.099) 7.859 7.792 ( 11.921 0.000 -5.487) 13.124 7.878 ( 5.497 0.000 -3.074) 6.298 7.887 ( 7.967 0.000 -5.926) 9.929 8.026 ( 10.334 0.000 1.280) 10.413 8.350 ( 7.309 0.000 5.286) 9.020 8.472 ( -6.376 0.000 -1.959) 6.670 8.561 ( 5.271 0.000 8.937) 10.375 8.671 ( 6.427 0.000 -8.910) 10.987 8.737 ( 1.320 0.000 1.303) 1.855 8.856 ( 9.433 0.000 -4.305) 10.368 9.121 ( 4.849 0.000 1.566) 5.096 9.154 ( 4.032 0.000 6.333) 7.508 9.224 ( 0.288 0.000 -2.600) 2.616 9.348 ( -4.758 0.000 2.181) 5.234 9.534 ( -8.087 0.000 -9.127) 12.194 9.552 ( 0.702 0.000 -2.267) 2.373 9.631 ( -7.910 0.000 -5.247) 9.493 9.689 ( -3.956 0.000 -2.312) 4.583 9.712 ( -6.319 0.000 -3.827) 7.388 9.803 ( -2.662 0.000 3.801) 4.641 9.868 ( 0.300 0.000 2.543) 2.561 10.127 ( 2.934 0.000 1.683) 3.382 10.187 ( -2.761 0.000 8.041) 8.501 10.304 ( -3.911 0.000 0.809) 3.994 10.374 ( 10.987 0.000 3.106) 11.418 10.466 ( -3.403 0.000 -7.517) 8.251 10.470 ( 1.502 0.000 2.701) 3.091 10.538 ( -5.735 0.000 5.612) 8.024 10.575 ( 6.409 0.000 0.779) 6.456 10.739 ( -16.789 0.000 -1.925) 16.899 10.844 ( -9.264 0.000 -1.892) 9.455 10.953 ( -2.108 0.000 2.850) 3.545 10.994 ( 2.469 0.000 3.677) 4.429 11.174 ( 3.691 0.000 6.136) 7.161 11.255 ( -0.425 0.000 -3.313) 3.340 11.267 ( 0.193 0.000 3.508) 3.513 11.282 ( -2.925 0.000 -7.346) 7.907 11.499 ( 5.190 0.000 -1.242) 5.336 11.562 ( -2.689 0.000 -6.985) 7.484 11.627 ( 1.570 0.000 -4.842) 5.090 11.769 ( -3.151 0.000 5.092) 5.988 11.783 ( -2.194 0.000 -0.209) 2.204 11.869 ( 4.854 0.000 1.606) 5.113 11.961 ( 1.721 0.000 -6.307) 6.537 12.102 ( -7.519 0.000 6.064) 9.659 12.222 ( 12.848 0.000 -1.326) 12.916 12.249 ( 7.411 0.000 -4.169) 8.503 12.366 ( 7.444 0.000 -0.142) 7.445 12.418 ( 2.912 0.000 -3.765) 4.760 12.445 ( 5.288 0.000 7.152) 8.895 12.575 ( 2.830 0.000 4.979) 5.727 12.659 ( 5.906 0.000 1.454) 6.083 12.712 ( -3.746 0.000 3.333) 5.014 12.756 ( 11.645 0.000 5.389) 12.832 12.942 ( 5.638 0.000 -0.380) 5.651 13.002 ( 7.157 0.000 -1.077) 7.237 13.207 ( 7.128 0.000 -0.300) 7.134 13.283 ( -7.387 0.000 -10.382) 12.741 13.337 ( 3.906 0.000 -0.802) 3.988 13.489 ( 1.964 0.000 0.069) 1.965 13.707 ( 0.581 0.000 -2.909) 2.967 13.769 ( -2.884 0.000 -2.283) 3.679 13.814 ( 0.630 0.000 -3.345) 3.404 14.108 ( 13.681 0.000 -20.164) 24.367 14.529 ( -7.773 0.000 6.155) 9.915 14.588 ( -8.976 0.000 9.315) 12.936 14.614 ( -5.544 0.000 2.210) 5.969 14.798 ( 4.016 0.000 0.333) 4.030 14.912 ( 8.016 0.000 -2.357) 8.355 15.067 ( -0.709 0.000 -0.770) 1.047 15.121 ( 2.235 0.000 -8.262) 8.559 15.244 ( 9.790 0.000 -2.246) 10.045 15.474 ( 8.697 0.000 -33.072) 34.196 15.514 ( -4.008 0.000 7.558) 8.554 15.595 ( 9.201 0.000 -29.364) 30.771 15.787 ( -3.023 0.000 -0.123) 3.026 16.134 ( -3.582 0.000 1.325) 3.819 16.218 ( -8.163 0.000 -0.188) 8.165 16.479 ( -18.930 0.000 47.309) 50.956 16.670 ( 0.683 0.000 2.032) 2.143 16.871 ( -0.014 0.000 -0.387) 0.387 17.143 ( -2.139 0.000 1.194) 2.450 17.931 ( -3.862 0.000 -0.314) 3.875 18.149 ( -3.820 0.000 0.711) 3.886 18.306 ( -6.229 0.000 -2.195) 6.605 18.362 ( -4.312 0.000 1.060) 4.440 21.047 ( 3.271 0.000 1.644) 3.661 21.078 ( 0.830 0.000 -1.002) 1.301 21.483 ( 1.188 0.000 -3.937) 4.113 21.861 ( 11.989 0.000 -35.697) 37.656 21.958 ( 4.387 0.000 -14.696) 15.337 22.331 ( -1.531 0.000 -0.554) 1.628 22.362 ( 2.160 0.000 -0.768) 2.293 22.677 ( 0.565 0.000 -2.083) 2.158 22.803 ( 2.099 0.000 1.435) 2.543 22.928 ( 2.663 0.000 -4.394) 5.138 23.173 ( -2.286 0.000 4.839) 5.352 23.334 ( 2.529 0.000 0.519) 2.582 23.630 ( 1.274 0.000 2.522) 2.826 23.746 ( 3.561 0.000 1.648) 3.924 24.029 ( 3.495 0.000 -0.998) 3.635 24.143 ( 6.073 0.000 5.638) 8.287 24.235 ( -24.306 0.000 75.678) 79.485 24.535 ( -2.379 0.000 -4.465) 5.059 24.640 ( 0.377 0.000 -3.816) 3.835 24.745 ( 1.786 0.000 2.382) 2.977 25.013 ( -4.962 0.000 -2.107) 5.391 25.561 ( -10.142 0.000 -2.670) 10.488 25.982 ( -13.246 0.000 8.086) 15.519 26.282 ( -7.269 0.000 -0.384) 7.279 26.788 ( 3.628 0.000 0.701) 3.695 26.816 ( 3.158 0.000 -0.702) 3.235 26.937 ( 2.592 0.000 0.904) 2.745 27.093 ( 3.740 0.000 -7.891) 8.732 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 26.637 0.000 4.003) 26.936 1.256 ( 24.831 0.000 9.284) 26.510 1.613 ( -2.004 0.000 -6.633) 6.929 2.020 ( 9.973 0.000 -5.600) 11.438 2.035 ( -3.505 0.000 1.950) 4.011 2.103 ( 9.613 0.000 6.967) 11.872 2.155 ( 1.830 0.000 -0.352) 1.863 2.174 ( 1.554 0.000 -0.784) 1.741 2.191 ( -3.725 0.000 0.829) 3.816 2.306 ( 6.596 0.000 -1.752) 6.824 2.405 ( 0.592 0.000 -0.956) 1.124 2.461 ( -2.330 0.000 -4.779) 5.317 2.539 ( 14.601 0.000 5.117) 15.471 2.683 ( 5.864 0.000 1.661) 6.095 2.736 ( 2.344 0.000 -3.734) 4.409 2.755 ( 2.934 0.000 1.422) 3.261 2.818 ( 2.312 0.000 -0.310) 2.333 2.860 ( -4.496 0.000 -1.111) 4.631 2.915 ( 2.088 0.000 -1.365) 2.494 2.944 ( -4.350 0.000 1.702) 4.671 2.969 ( 5.407 0.000 -0.243) 5.413 3.041 ( 2.305 0.000 4.924) 5.436 3.097 ( 5.420 0.000 -0.590) 5.452 3.128 ( 3.218 0.000 -0.434) 3.247 3.266 ( 0.242 0.000 5.021) 5.027 3.336 ( 4.980 0.000 -0.293) 4.989 3.447 ( -3.827 0.000 -8.567) 9.383 3.488 ( 4.774 0.000 2.624) 5.448 3.489 ( -5.498 0.000 -2.940) 6.235 3.560 ( 3.580 0.000 4.127) 5.463 3.671 ( 1.555 0.000 3.146) 3.509 3.706 ( 2.523 0.000 1.613) 2.995 3.760 ( 0.883 0.000 -1.182) 1.475 3.917 ( -9.781 0.000 0.849) 9.818 4.021 ( -0.003 0.000 -2.182) 2.182 4.039 ( -4.376 0.000 -2.499) 5.040 4.118 ( -8.096 0.000 -3.651) 8.881 4.238 ( -0.288 0.000 2.722) 2.737 4.365 ( -0.615 0.000 -3.254) 3.312 4.385 ( -1.610 0.000 -1.907) 2.496 4.579 ( -8.238 0.000 -3.376) 8.903 4.657 ( -1.342 0.000 -4.252) 4.458 4.781 ( -4.764 0.000 2.690) 5.471 4.848 ( -7.289 0.000 -4.007) 8.318 4.977 ( 3.596 0.000 -4.586) 5.828 4.991 ( 3.373 0.000 -6.216) 7.072 5.137 ( -0.429 0.000 5.701) 5.717 5.175 ( -3.256 0.000 -0.460) 3.288 5.321 ( -4.305 0.000 8.092) 9.166 5.350 ( -1.623 0.000 -4.824) 5.089 5.448 ( 0.404 0.000 1.578) 1.629 5.475 ( 4.667 0.000 6.250) 7.801 5.784 ( 3.043 0.000 4.472) 5.409 5.904 ( 1.354 0.000 0.123) 1.359 5.956 ( 0.789 0.000 4.327) 4.398 6.214 ( 4.977 0.000 2.975) 5.798 6.224 ( -0.033 0.000 -7.388) 7.388 6.275 ( -7.278 0.000 0.426) 7.291 6.502 ( 5.195 0.000 7.990) 9.531 6.551 ( -9.715 0.000 -9.817) 13.812 6.762 ( -9.075 0.000 -2.842) 9.509 6.847 ( -10.173 0.000 -1.988) 10.365 6.957 ( -5.952 0.000 -1.232) 6.078 7.020 ( 1.688 0.000 4.675) 4.970 7.317 ( -13.828 0.000 5.599) 14.918 7.483 ( -6.123 0.000 0.615) 6.154 7.927 ( -0.823 0.000 -6.223) 6.277 7.936 ( 1.013 0.000 3.052) 3.215 8.078 ( 15.426 0.000 -3.022) 15.719 8.191 ( 4.209 0.000 -0.443) 4.232 8.464 ( 8.409 0.000 -1.915) 8.624 8.568 ( 10.666 0.000 1.314) 10.747 8.747 ( 6.648 0.000 8.154) 10.520 8.791 ( 9.958 0.000 -7.118) 12.240 8.812 ( 4.237 0.000 5.810) 7.191 9.034 ( 6.536 0.000 -6.027) 8.891 9.072 ( -6.776 0.000 -7.214) 9.898 9.148 ( 0.420 0.000 -2.705) 2.737 9.204 ( -6.205 0.000 -4.156) 7.468 9.301 ( 4.331 0.000 5.368) 6.898 9.385 ( -5.869 0.000 -3.728) 6.952 9.502 ( -3.202 0.000 1.820) 3.683 9.542 ( -7.154 0.000 -2.580) 7.605 9.579 ( -3.104 0.000 5.086) 5.958 9.608 ( 0.862 0.000 -3.531) 3.635 9.753 ( -2.818 0.000 -1.744) 3.314 9.877 ( -3.954 0.000 5.850) 7.061 10.072 ( -4.499 0.000 0.114) 4.501 10.232 ( -1.184 0.000 1.211) 1.694 10.246 ( -3.557 0.000 8.029) 8.782 10.338 ( -2.791 0.000 -4.479) 5.278 10.370 ( -14.989 0.000 4.057) 15.528 10.413 ( -5.493 0.000 -5.939) 8.090 10.458 ( -2.339 0.000 -1.686) 2.883 10.581 ( 5.504 0.000 -0.198) 5.508 10.654 ( -0.624 0.000 -3.153) 3.214 10.739 ( -1.625 0.000 2.503) 2.984 10.895 ( -5.532 0.000 0.690) 5.575 11.111 ( 4.226 0.000 3.754) 5.653 11.177 ( 3.556 0.000 -4.722) 5.911 11.263 ( -1.185 0.000 -0.291) 1.221 11.315 ( 7.182 0.000 -4.395) 8.420 11.322 ( 4.899 0.000 7.871) 9.271 11.409 ( -3.880 0.000 -2.583) 4.661 11.535 ( -2.868 0.000 3.710) 4.689 11.706 ( 1.917 0.000 -0.180) 1.926 11.750 ( -0.810 0.000 5.981) 6.036 11.821 ( 6.609 0.000 -4.808) 8.173 11.895 ( -2.560 0.000 -4.433) 5.119 11.992 ( -6.615 0.000 7.607) 10.081 12.060 ( 10.132 0.000 0.569) 10.148 12.261 ( 0.235 0.000 -8.313) 8.316 12.332 ( -0.063 0.000 -7.502) 7.502 12.485 ( 3.186 0.000 1.236) 3.418 12.596 ( 4.119 0.000 6.829) 7.975 12.617 ( 5.156 0.000 1.470) 5.362 12.639 ( 8.700 0.000 -0.883) 8.745 12.752 ( 3.990 0.000 3.873) 5.561 12.781 ( 8.730 0.000 5.462) 10.298 13.040 ( 11.983 0.000 3.110) 12.380 13.051 ( -4.994 0.000 -9.154) 10.427 13.062 ( 5.175 0.000 -2.824) 5.895 13.196 ( 8.616 0.000 1.535) 8.752 13.382 ( 5.693 0.000 2.938) 6.406 13.497 ( 11.463 0.000 0.753) 11.488 13.525 ( 1.488 0.000 0.033) 1.488 13.656 ( -5.857 0.000 -5.073) 7.748 13.690 ( 1.124 0.000 -2.575) 2.809 13.817 ( 0.373 0.000 -1.148) 1.207 14.111 ( -3.275 0.000 -12.477) 12.899 14.390 ( -8.892 0.000 4.333) 9.892 14.566 ( 0.159 0.000 10.630) 10.632 14.589 ( 1.166 0.000 7.376) 7.467 14.892 ( 3.954 0.000 1.554) 4.248 15.004 ( -0.092 0.000 -1.028) 1.032 15.045 ( 0.045 0.000 -3.226) 3.227 15.131 ( 4.881 0.000 -6.627) 8.231 15.384 ( 4.426 0.000 -4.225) 6.119 15.439 ( 7.477 0.000 -26.668) 27.696 15.482 ( -4.147 0.000 11.289) 12.026 15.626 ( 6.301 0.000 -7.828) 10.048 15.722 ( -2.343 0.000 -0.677) 2.439 16.017 ( -10.695 0.000 1.412) 10.788 16.042 ( -6.088 0.000 1.048) 6.178 16.374 ( -12.323 0.000 17.865) 21.703 16.700 ( 1.103 0.000 1.139) 1.586 16.866 ( -0.110 0.000 -0.601) 0.611 17.097 ( -2.996 0.000 1.009) 3.161 17.841 ( -4.674 0.000 0.966) 4.773 18.062 ( -4.810 0.000 0.893) 4.892 18.142 ( -7.942 0.000 -1.208) 8.033 18.258 ( -5.590 0.000 -0.193) 5.593 21.094 ( 1.329 0.000 -1.221) 1.805 21.136 ( 3.863 0.000 1.858) 4.287 21.476 ( 1.078 0.000 -5.194) 5.305 21.876 ( 4.216 0.000 -10.846) 11.637 21.953 ( 2.848 0.000 -8.913) 9.357 22.306 ( -0.623 0.000 0.087) 0.629 22.391 ( 0.965 0.000 -0.955) 1.358 22.684 ( 1.499 0.000 -2.125) 2.601 22.855 ( 1.595 0.000 1.864) 2.453 22.926 ( 0.259 0.000 -5.592) 5.598 23.183 ( -0.112 0.000 5.651) 5.652 23.402 ( 2.751 0.000 2.741) 3.884 23.699 ( 3.520 0.000 4.123) 5.421 23.853 ( 5.516 0.000 1.542) 5.727 24.113 ( 5.860 0.000 -2.765) 6.479 24.238 ( -10.718 0.000 34.780) 36.394 24.339 ( 6.866 0.000 9.618) 11.817 24.455 ( -1.903 0.000 -6.910) 7.168 24.584 ( -2.792 0.000 -3.558) 4.522 24.845 ( 8.000 0.000 -1.878) 8.218 24.859 ( -7.211 0.000 -4.197) 8.344 25.327 ( -9.684 0.000 -2.830) 10.089 25.703 ( -17.916 0.000 5.858) 18.849 26.059 ( -12.988 0.000 -1.506) 13.075 26.873 ( 3.789 0.000 0.782) 3.869 26.900 ( 4.765 0.000 -1.026) 4.874 26.989 ( 1.651 0.000 1.062) 1.964 27.122 ( 2.330 0.000 -2.645) 3.525 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 2.013 0.000 -3.283) 3.851 1.695 ( 17.831 0.000 3.811) 18.234 1.826 ( 17.341 0.000 8.256) 19.207 1.952 ( -4.578 0.000 -6.050) 7.587 1.955 ( -3.026 0.000 -1.832) 3.537 2.090 ( -4.522 0.000 0.830) 4.598 2.109 ( -7.207 0.000 -2.937) 7.783 2.177 ( 5.190 0.000 2.838) 5.915 2.253 ( 0.883 0.000 4.276) 4.366 2.343 ( -0.847 0.000 -6.811) 6.863 2.422 ( -6.894 0.000 1.262) 7.008 2.474 ( 3.966 0.000 -2.315) 4.592 2.524 ( -6.651 0.000 -5.414) 8.575 2.609 ( -2.387 0.000 0.056) 2.388 2.730 ( 1.605 0.000 -0.993) 1.888 2.873 ( 2.453 0.000 1.469) 2.859 2.887 ( 0.943 0.000 2.213) 2.406 2.896 ( 2.829 0.000 -1.952) 3.437 2.958 ( 1.237 0.000 -0.673) 1.408 3.056 ( 3.759 0.000 -0.210) 3.765 3.081 ( 5.534 0.000 2.333) 6.006 3.165 ( 0.521 0.000 4.321) 4.352 3.235 ( 0.989 0.000 0.605) 1.159 3.263 ( 6.822 0.000 1.703) 7.031 3.290 ( 2.794 0.000 -4.558) 5.347 3.312 ( 0.648 0.000 1.934) 2.040 3.340 ( -0.812 0.000 0.649) 1.040 3.378 ( -0.298 0.000 -0.719) 0.778 3.544 ( -4.502 0.000 0.082) 4.503 3.696 ( 4.862 0.000 6.230) 7.903 3.719 ( 4.987 0.000 -2.933) 5.786 3.774 ( 0.995 0.000 -1.645) 1.922 3.779 ( -1.371 0.000 1.769) 2.238 3.801 ( 2.656 0.000 5.154) 5.798 3.918 ( -3.618 0.000 -5.072) 6.230 3.967 ( -4.205 0.000 0.194) 4.210 4.006 ( 2.225 0.000 0.790) 2.361 4.297 ( -10.948 0.000 -6.009) 12.489 4.342 ( 5.069 0.000 1.982) 5.443 4.371 ( -0.458 0.000 -2.008) 2.060 4.418 ( 2.514 0.000 6.343) 6.823 4.567 ( -3.588 0.000 -6.809) 7.697 4.612 ( -10.423 0.000 -3.674) 11.051 4.707 ( -2.408 0.000 -0.105) 2.410 4.947 ( -3.104 0.000 -2.307) 3.867 4.998 ( 1.353 0.000 -1.989) 2.406 5.125 ( -1.700 0.000 0.464) 1.762 5.144 ( -1.788 0.000 -0.007) 1.788 5.338 ( 2.328 0.000 0.930) 2.507 5.366 ( 2.565 0.000 6.401) 6.895 5.450 ( -0.503 0.000 -2.132) 2.191 5.609 ( 3.470 0.000 2.681) 4.385 5.878 ( -1.335 0.000 -0.311) 1.371 5.925 ( 4.641 0.000 5.864) 7.478 5.964 ( 1.251 0.000 1.384) 1.865 6.124 ( -5.424 0.000 0.663) 5.465 6.234 ( 2.154 0.000 -4.011) 4.552 6.256 ( -5.928 0.000 -1.967) 6.245 6.321 ( -4.726 0.000 -4.120) 6.269 6.600 ( -3.110 0.000 4.756) 5.682 6.640 ( -4.207 0.000 -2.492) 4.889 6.722 ( 5.793 0.000 -2.172) 6.187 6.884 ( -1.160 0.000 -0.240) 1.184 7.090 ( 2.143 0.000 2.756) 3.491 7.172 ( -3.589 0.000 1.114) 3.758 7.418 ( -1.455 0.000 1.100) 1.824 7.819 ( -3.425 0.000 -3.472) 4.877 7.963 ( 0.009 0.000 2.252) 2.252 8.236 ( 0.978 0.000 0.212) 1.000 8.367 ( 11.358 0.000 1.316) 11.434 8.657 ( 6.929 0.000 -0.056) 6.929 8.688 ( 1.534 0.000 -1.256) 1.983 8.804 ( -6.462 0.000 -6.235) 8.979 8.892 ( 3.799 0.000 1.977) 4.283 8.905 ( 0.571 0.000 0.929) 1.091 8.986 ( 6.371 0.000 7.404) 9.768 9.070 ( -1.041 0.000 -5.331) 5.432 9.167 ( 1.771 0.000 1.018) 2.043 9.193 ( 0.372 0.000 -3.236) 3.258 9.297 ( 5.154 0.000 -1.993) 5.526 9.333 ( -3.351 0.000 -4.538) 5.641 9.428 ( -0.911 0.000 2.289) 2.464 9.431 ( -6.146 0.000 2.472) 6.624 9.526 ( -1.970 0.000 0.506) 2.034 9.637 ( 0.872 0.000 -0.625) 1.072 9.693 ( -0.311 0.000 -4.805) 4.815 9.799 ( -6.160 0.000 7.026) 9.344 10.003 ( -1.008 0.000 -1.793) 2.057 10.135 ( -6.352 0.000 2.161) 6.709 10.169 ( -3.852 0.000 2.681) 4.694 10.248 ( -2.330 0.000 -3.624) 4.308 10.310 ( -0.263 0.000 -0.655) 0.706 10.319 ( 0.714 0.000 -1.163) 1.365 10.418 ( -1.456 0.000 -0.694) 1.613 10.558 ( -2.664 0.000 -3.519) 4.414 10.631 ( 0.677 0.000 0.243) 0.719 10.769 ( 0.882 0.000 4.004) 4.100 10.843 ( -0.963 0.000 1.968) 2.191 11.119 ( -1.349 0.000 -3.726) 3.963 11.232 ( 1.752 0.000 -0.607) 1.854 11.290 ( 1.693 0.000 5.158) 5.428 11.356 ( -1.342 0.000 -2.890) 3.186 11.407 ( 2.719 0.000 -1.876) 3.304 11.479 ( 3.304 0.000 -2.492) 4.138 11.520 ( 1.518 0.000 7.611) 7.761 11.719 ( -0.312 0.000 0.880) 0.933 11.815 ( 2.906 0.000 4.353) 5.234 11.865 ( 3.011 0.000 -5.081) 5.906 11.886 ( 3.091 0.000 -6.194) 6.923 11.930 ( -6.266 0.000 10.683) 12.386 12.170 ( -0.284 0.000 -2.176) 2.195 12.208 ( -4.212 0.000 -2.080) 4.698 12.232 ( 1.073 0.000 -3.991) 4.133 12.519 ( 1.882 0.000 0.861) 2.070 12.657 ( -0.270 0.000 3.881) 3.890 12.729 ( 2.904 0.000 -1.032) 3.082 12.760 ( 1.309 0.000 -4.217) 4.416 12.820 ( 1.874 0.000 2.671) 3.263 12.922 ( 1.130 0.000 -1.560) 1.926 13.054 ( 8.873 0.000 0.907) 8.919 13.201 ( 9.280 0.000 2.896) 9.721 13.239 ( 4.780 0.000 1.191) 4.926 13.358 ( 2.134 0.000 1.601) 2.668 13.467 ( -4.928 0.000 -1.697) 5.212 13.474 ( -4.308 0.000 -3.610) 5.621 13.529 ( 3.501 0.000 -0.704) 3.571 13.598 ( 5.107 0.000 0.837) 5.175 13.768 ( -6.519 0.000 -1.377) 6.663 13.840 ( 6.422 0.000 2.204) 6.790 13.934 ( -4.295 0.000 -5.225) 6.763 14.254 ( -5.320 0.000 1.408) 5.503 14.641 ( 1.152 0.000 3.893) 4.059 14.714 ( 4.140 0.000 5.333) 6.751 14.949 ( -2.375 0.000 -0.295) 2.393 14.969 ( 1.078 0.000 5.700) 5.801 15.032 ( 1.939 0.000 -6.850) 7.119 15.186 ( 2.573 0.000 -3.702) 4.508 15.354 ( -2.696 0.000 -3.401) 4.340 15.434 ( 4.308 0.000 -11.935) 12.689 15.486 ( -1.915 0.000 6.598) 6.871 15.679 ( -1.690 0.000 -1.760) 2.440 15.755 ( 7.625 0.000 -0.111) 7.626 15.883 ( -2.977 0.000 2.352) 3.794 15.921 ( -5.404 0.000 -0.899) 5.478 16.238 ( -7.119 0.000 5.587) 9.049 16.723 ( 0.541 0.000 0.352) 0.645 16.861 ( 0.003 0.000 -0.317) 0.317 17.050 ( -1.614 0.000 0.274) 1.637 17.776 ( -1.948 0.000 0.600) 2.038 17.991 ( -2.141 0.000 0.410) 2.180 18.012 ( -3.571 0.000 -0.252) 3.580 18.167 ( -2.589 0.000 -0.337) 2.611 21.110 ( 0.708 0.000 -0.534) 0.887 21.205 ( 1.667 0.000 0.756) 1.830 21.464 ( 0.340 0.000 -2.375) 2.399 21.885 ( 0.710 0.000 -1.778) 1.915 21.958 ( 1.616 0.000 -3.996) 4.311 22.303 ( 0.032 0.000 0.206) 0.209 22.393 ( -0.007 0.000 -0.440) 0.440 22.700 ( 0.771 0.000 -0.798) 1.110 22.876 ( -0.626 0.000 0.769) 0.992 22.901 ( 0.561 0.000 -2.006) 2.083 23.214 ( 0.235 0.000 1.924) 1.938 23.460 ( 1.179 0.000 1.507) 1.914 23.804 ( 3.171 0.000 2.887) 4.289 23.960 ( 3.567 0.000 -0.059) 3.567 24.221 ( 6.606 0.000 -4.007) 7.726 24.260 ( -3.961 0.000 17.673) 18.111 24.370 ( -1.068 0.000 -8.609) 8.675 24.423 ( -5.406 0.000 6.867) 8.740 24.515 ( -1.605 0.000 -1.598) 2.264 24.766 ( 1.449 0.000 -2.224) 2.654 25.039 ( 12.644 0.000 -4.483) 13.415 25.178 ( -3.385 0.000 -1.122) 3.566 25.377 ( -16.610 0.000 5.281) 17.429 25.815 ( -7.876 0.000 -1.253) 7.975 26.933 ( 1.553 0.000 0.329) 1.588 26.968 ( 2.234 0.000 -0.827) 2.382 27.014 ( 0.258 0.000 0.773) 0.815 27.145 ( 0.864 0.000 -0.667) 1.091 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 0.000 28.652 0.000) 28.652 0.603 ( 0.000 30.087 0.000) 30.087 1.147 ( 0.000 56.806 0.000) 56.806 1.806 ( 0.000 -8.137 0.000) 8.137 1.860 ( 0.000 -0.622 0.000) 0.622 1.977 ( 0.000 -11.402 0.000) 11.402 2.031 ( 0.000 0.351 0.000) 0.351 2.110 ( 0.000 -2.515 0.000) 2.515 2.129 ( 0.000 5.314 0.000) 5.314 2.289 ( 0.000 -3.705 0.000) 3.705 2.342 ( 0.000 3.633 0.000) 3.633 2.437 ( 0.000 -2.201 0.000) 2.201 2.439 ( 0.000 -0.309 0.000) 0.309 2.583 ( 0.000 2.403 0.000) 2.403 2.638 ( 0.000 -3.208 0.000) 3.208 2.651 ( 0.000 -0.222 0.000) 0.222 2.717 ( 0.000 -0.718 0.000) 0.718 2.859 ( 0.000 -0.464 0.000) 0.464 2.893 ( 0.000 0.154 0.000) 0.154 2.898 ( 0.000 1.175 0.000) 1.175 2.931 ( 0.000 -0.277 0.000) 0.277 2.975 ( 0.000 5.328 0.000) 5.328 3.114 ( 0.000 3.779 0.000) 3.779 3.148 ( 0.000 3.554 0.000) 3.554 3.161 ( 0.000 -2.575 0.000) 2.575 3.380 ( 0.000 4.543 0.000) 4.543 3.415 ( 0.000 0.103 0.000) 0.103 3.447 ( 0.000 -3.689 0.000) 3.689 3.531 ( 0.000 -3.755 0.000) 3.755 3.586 ( 0.000 0.136 0.000) 0.136 3.624 ( 0.000 -6.929 0.000) 6.929 3.706 ( 0.000 -3.278 0.000) 3.278 3.747 ( 0.000 9.014 0.000) 9.014 3.932 ( 0.000 0.725 0.000) 0.725 3.942 ( 0.000 5.213 0.000) 5.213 3.999 ( 0.000 7.289 0.000) 7.289 4.088 ( 0.000 -5.242 0.000) 5.242 4.267 ( 0.000 -29.569 0.000) 29.569 4.309 ( 0.000 3.206 0.000) 3.206 4.497 ( 0.000 7.416 0.000) 7.416 4.602 ( 0.000 -1.661 0.000) 1.661 4.676 ( 0.000 -4.388 0.000) 4.388 4.816 ( 0.000 2.215 0.000) 2.215 4.957 ( 0.000 0.629 0.000) 0.629 5.007 ( 0.000 -1.975 0.000) 1.975 5.034 ( 0.000 4.966 0.000) 4.966 5.064 ( 0.000 -4.146 0.000) 4.146 5.254 ( 0.000 -4.311 0.000) 4.311 5.383 ( 0.000 4.845 0.000) 4.845 5.401 ( 0.000 -0.796 0.000) 0.796 5.433 ( 0.000 3.833 0.000) 3.833 5.461 ( 0.000 -1.176 0.000) 1.176 5.738 ( 0.000 -0.162 0.000) 0.162 5.760 ( 0.000 -2.724 0.000) 2.724 5.880 ( 0.000 -1.151 0.000) 1.151 5.942 ( 0.000 0.370 0.000) 0.370 6.301 ( 0.000 -2.741 0.000) 2.741 6.361 ( 0.000 -3.908 0.000) 3.908 6.571 ( 0.000 6.390 0.000) 6.390 6.722 ( 0.000 -0.244 0.000) 0.244 7.084 ( 0.000 1.224 0.000) 1.224 7.116 ( 0.000 4.883 0.000) 4.883 7.333 ( 0.000 2.400 0.000) 2.400 7.387 ( 0.000 2.903 0.000) 2.903 7.567 ( 0.000 -5.117 0.000) 5.117 7.651 ( 0.000 -2.615 0.000) 2.615 7.692 ( 0.000 0.499 0.000) 0.499 7.765 ( 0.000 6.580 0.000) 6.580 8.081 ( 0.000 2.100 0.000) 2.100 8.117 ( 0.000 -7.059 0.000) 7.059 8.394 ( 0.000 -4.191 0.000) 4.191 8.566 ( 0.000 -7.191 0.000) 7.191 8.705 ( 0.000 9.811 0.000) 9.811 8.734 ( 0.000 3.477 0.000) 3.477 8.807 ( 0.000 5.545 0.000) 5.545 9.041 ( 0.000 -2.063 0.000) 2.063 9.045 ( 0.000 -0.202 0.000) 0.202 9.109 ( 0.000 4.350 0.000) 4.350 9.319 ( 0.000 -0.793 0.000) 0.793 9.452 ( 0.000 3.608 0.000) 3.608 9.499 ( 0.000 -12.397 0.000) 12.397 9.507 ( 0.000 -0.005 0.000) 0.005 9.610 ( 0.000 -1.563 0.000) 1.563 9.841 ( 0.000 6.365 0.000) 6.365 9.862 ( 0.000 -2.990 0.000) 2.990 9.940 ( 0.000 -4.490 0.000) 4.490 9.944 ( 0.000 2.271 0.000) 2.271 10.092 ( 0.000 3.180 0.000) 3.180 10.112 ( 0.000 -1.397 0.000) 1.397 10.145 ( 0.000 4.933 0.000) 4.933 10.292 ( 0.000 5.290 0.000) 5.290 10.369 ( 0.000 -0.226 0.000) 0.226 10.408 ( 0.000 1.469 0.000) 1.469 10.593 ( 0.000 2.768 0.000) 2.768 10.627 ( 0.000 4.977 0.000) 4.977 10.722 ( 0.000 -10.530 0.000) 10.530 10.837 ( 0.000 0.684 0.000) 0.684 10.981 ( 0.000 -1.261 0.000) 1.261 11.001 ( 0.000 -2.446 0.000) 2.446 11.110 ( 0.000 -6.548 0.000) 6.548 11.202 ( 0.000 -5.048 0.000) 5.048 11.325 ( 0.000 10.078 0.000) 10.078 11.346 ( 0.000 8.488 0.000) 8.488 11.422 ( 0.000 6.941 0.000) 6.941 11.620 ( 0.000 -2.723 0.000) 2.723 11.661 ( 0.000 -4.825 0.000) 4.825 11.682 ( 0.000 -3.752 0.000) 3.752 11.759 ( 0.000 -3.094 0.000) 3.094 11.871 ( 0.000 4.463 0.000) 4.463 11.978 ( 0.000 6.706 0.000) 6.706 12.020 ( 0.000 -10.989 0.000) 10.989 12.110 ( 0.000 -4.392 0.000) 4.392 12.130 ( 0.000 1.667 0.000) 1.667 12.211 ( 0.000 -3.483 0.000) 3.483 12.324 ( 0.000 -4.623 0.000) 4.623 12.327 ( 0.000 0.486 0.000) 0.486 12.470 ( 0.000 4.156 0.000) 4.156 12.592 ( 0.000 4.451 0.000) 4.451 12.618 ( 0.000 -3.209 0.000) 3.209 12.625 ( 0.000 7.069 0.000) 7.069 12.740 ( 0.000 -1.380 0.000) 1.380 13.006 ( 0.000 0.661 0.000) 0.661 13.032 ( 0.000 -9.492 0.000) 9.492 13.225 ( 0.000 3.737 0.000) 3.737 13.387 ( 0.000 -4.581 0.000) 4.581 13.527 ( 0.000 -14.280 0.000) 14.280 13.566 ( 0.000 11.243 0.000) 11.243 13.667 ( 0.000 -7.573 0.000) 7.573 13.856 ( 0.000 2.001 0.000) 2.001 14.091 ( 0.000 7.519 0.000) 7.519 14.135 ( 0.000 4.097 0.000) 4.097 14.522 ( 0.000 -12.443 0.000) 12.443 14.684 ( 0.000 -2.330 0.000) 2.330 14.717 ( 0.000 -5.795 0.000) 5.795 14.799 ( 0.000 -5.157 0.000) 5.157 14.801 ( 0.000 -0.157 0.000) 0.157 15.055 ( 0.000 2.985 0.000) 2.985 15.256 ( 0.000 6.004 0.000) 6.004 15.439 ( 0.000 -5.411 0.000) 5.411 15.705 ( 0.000 -1.309 0.000) 1.309 15.754 ( 0.000 15.963 0.000) 15.963 15.950 ( 0.000 8.921 0.000) 8.921 16.051 ( 0.000 -6.488 0.000) 6.488 16.323 ( 0.000 1.897 0.000) 1.897 16.414 ( 0.000 5.663 0.000) 5.663 16.604 ( 0.000 -4.978 0.000) 4.978 16.916 ( 0.000 2.098 0.000) 2.098 17.142 ( 0.000 -2.095 0.000) 2.095 17.973 ( 0.000 0.830 0.000) 0.830 18.152 ( 0.000 -3.377 0.000) 3.377 18.428 ( 0.000 2.725 0.000) 2.725 18.540 ( 0.000 -0.203 0.000) 0.203 21.024 ( 0.000 1.877 0.000) 1.877 21.227 ( 0.000 -2.928 0.000) 2.928 21.237 ( 0.000 1.385 0.000) 1.385 21.440 ( 0.000 -3.830 0.000) 3.830 21.991 ( 0.000 4.952 0.000) 4.952 22.312 ( 0.000 -2.705 0.000) 2.705 22.380 ( 0.000 2.468 0.000) 2.468 22.603 ( 0.000 -5.179 0.000) 5.179 22.982 ( 0.000 9.191 0.000) 9.191 23.160 ( 0.000 -1.060 0.000) 1.060 23.274 ( 0.000 -1.525 0.000) 1.525 23.299 ( 0.000 3.886 0.000) 3.886 23.574 ( 0.000 -2.989 0.000) 2.989 23.652 ( 0.000 -4.201 0.000) 4.201 23.956 ( 0.000 4.055 0.000) 4.055 24.059 ( 0.000 0.013 0.000) 0.013 24.529 ( 0.000 -6.210 0.000) 6.210 24.574 ( 0.000 -2.214 0.000) 2.214 24.701 ( 0.000 0.444 0.000) 0.444 24.955 ( 0.000 -9.342 0.000) 9.342 25.003 ( 0.000 12.099 0.000) 12.099 25.600 ( 0.000 -6.793 0.000) 6.793 26.237 ( 0.000 14.240 0.000) 14.240 26.653 ( 0.000 -0.842 0.000) 0.842 26.745 ( 0.000 0.135 0.000) 0.135 26.764 ( 0.000 -0.398 0.000) 0.398 26.812 ( 0.000 1.824 0.000) 1.824 27.236 ( 0.000 -6.711 0.000) 6.711 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 20.665 19.112 2.815) 28.288 1.012 ( 20.936 21.905 7.272) 31.161 1.510 ( 30.516 31.926 11.355) 45.601 1.755 ( -2.299 0.941 -4.167) 4.852 1.945 ( 5.498 -7.593 3.459) 9.992 2.022 ( 5.665 -4.560 -1.574) 7.441 2.059 ( 1.038 -0.900 -0.585) 1.493 2.095 ( 0.617 -1.195 6.500) 6.638 2.227 ( 3.768 4.040 -0.518) 5.549 2.300 ( -3.476 0.853 0.223) 3.586 2.337 ( 2.374 -2.896 -1.477) 4.025 2.445 ( 3.270 -2.091 -0.067) 3.882 2.501 ( 3.918 -0.449 -1.403) 4.186 2.569 ( 1.040 -1.227 -6.022) 6.233 2.603 ( 1.231 -0.543 0.865) 1.599 2.671 ( 2.928 1.237 -0.487) 3.216 2.747 ( 1.903 -0.201 -0.170) 1.921 2.849 ( -1.137 -2.387 1.884) 3.246 2.890 ( 1.198 -2.320 0.441) 2.648 2.957 ( 0.859 3.063 -0.540) 3.226 2.995 ( 2.854 1.934 -0.052) 3.448 3.028 ( 3.455 2.605 1.999) 4.766 3.121 ( 1.238 -0.231 -0.252) 1.284 3.136 ( -2.294 0.889 -1.308) 2.787 3.196 ( 1.334 0.867 -0.218) 1.606 3.284 ( -4.328 1.558 0.552) 4.633 3.369 ( -0.641 -3.066 -1.085) 3.315 3.480 ( 0.354 -1.155 1.022) 1.582 3.502 ( -0.069 -1.754 -1.847) 2.548 3.565 ( -2.910 -3.714 -0.689) 4.769 3.648 ( 1.383 -1.267 5.954) 6.242 3.764 ( 3.129 9.373 -3.826) 10.596 3.884 ( -1.193 4.358 -4.603) 6.450 3.903 ( 1.609 -2.543 3.113) 4.330 4.000 ( 3.340 0.946 -0.522) 3.510 4.065 ( 1.727 -4.079 1.787) 4.777 4.185 ( 3.724 -4.243 1.542) 5.852 4.252 ( -0.332 -19.332 -2.953) 19.559 4.305 ( 2.240 -2.094 -5.489) 6.287 4.441 ( -5.003 4.887 2.071) 7.294 4.607 ( -1.707 -3.529 -3.208) 5.066 4.684 ( 4.116 -0.699 -0.743) 4.240 4.766 ( -3.841 1.954 3.087) 5.301 4.946 ( -0.923 -2.648 -5.592) 6.256 4.997 ( -1.576 2.883 -3.896) 5.096 5.056 ( 2.437 -1.565 3.036) 4.195 5.108 ( 0.032 2.500 4.278) 4.955 5.206 ( -2.780 -3.637 1.053) 4.697 5.312 ( -4.235 1.890 -2.034) 5.065 5.395 ( -0.667 -0.149 -0.197) 0.711 5.438 ( 0.527 3.254 1.493) 3.618 5.479 ( 1.342 -0.128 -0.807) 1.571 5.759 ( -0.692 -0.719 2.257) 2.468 5.793 ( 4.586 -1.062 0.487) 4.732 5.897 ( 2.780 0.688 2.169) 3.593 6.035 ( 5.626 -5.065 -0.174) 7.572 6.307 ( -2.109 -2.456 2.686) 4.206 6.337 ( -3.439 -2.381 7.179) 8.309 6.518 ( -4.250 5.509 -0.799) 7.004 6.707 ( -1.576 -1.103 -3.185) 3.721 7.022 ( -8.154 0.712 -3.025) 8.726 7.054 ( -7.288 3.176 1.001) 8.012 7.127 ( -6.533 6.921 -0.851) 9.555 7.170 ( -14.704 0.609 -1.006) 14.751 7.579 ( -5.106 -1.100 5.044) 7.261 7.657 ( -5.818 0.934 -2.894) 6.565 7.781 ( 11.971 -1.638 -4.146) 12.774 7.889 ( 2.249 -0.504 -2.585) 3.463 8.020 ( 7.908 2.338 1.172) 8.329 8.230 ( -8.552 15.060 -4.591) 17.917 8.401 ( -2.644 5.400 -0.735) 6.057 8.469 ( 5.168 -1.854 6.847) 8.777 8.628 ( -2.237 7.023 -0.392) 7.381 8.659 ( 3.141 0.926 -7.574) 8.251 8.767 ( -0.296 3.730 -0.987) 3.869 8.833 ( 4.880 1.420 -0.420) 5.100 9.046 ( 0.900 -5.319 -1.661) 5.644 9.166 ( 6.754 0.751 4.522) 8.162 9.261 ( -0.385 0.535 -0.095) 0.665 9.339 ( -8.049 -4.598 -2.671) 9.647 9.456 ( -5.240 -5.082 -0.755) 7.338 9.533 ( -4.989 -0.757 -6.378) 8.133 9.609 ( -2.408 2.963 1.347) 4.049 9.678 ( 1.660 -0.139 2.034) 2.629 9.816 ( -6.397 5.713 3.616) 9.308 9.829 ( -2.383 -2.297 1.062) 3.476 9.952 ( -5.865 9.250 -1.987) 11.131 10.089 ( 1.028 -0.618 -0.838) 1.464 10.200 ( -2.345 -0.095 1.594) 2.837 10.291 ( -1.476 -1.209 3.805) 4.256 10.342 ( 1.509 -6.732 -0.756) 6.940 10.403 ( 5.306 2.088 1.892) 6.007 10.518 ( 0.604 -0.735 8.261) 8.315 10.594 ( 1.753 3.090 -1.390) 3.815 10.629 ( -1.315 0.950 -2.288) 2.804 10.675 ( -4.190 0.850 -6.641) 7.898 10.812 ( -4.554 -1.756 2.320) 5.404 10.926 ( 2.215 -4.503 2.467) 5.592 11.002 ( -5.653 1.245 -2.205) 6.194 11.153 ( 0.630 0.567 -1.021) 1.327 11.226 ( 0.004 -0.976 -1.346) 1.662 11.302 ( 1.397 -6.138 0.039) 6.295 11.338 ( -2.011 3.590 0.146) 4.118 11.498 ( 7.553 5.084 -0.488) 9.118 11.510 ( -0.851 0.339 1.208) 1.516 11.589 ( -3.144 -2.708 -3.385) 5.355 11.718 ( -3.125 -4.053 0.586) 5.151 11.796 ( 6.263 0.485 4.313) 7.619 11.884 ( 1.693 -0.415 -2.280) 2.870 11.971 ( -2.552 -2.012 -4.944) 5.916 12.112 ( 1.453 -0.934 2.390) 2.949 12.171 ( -0.633 -0.592 1.895) 2.084 12.222 ( 12.407 -2.760 -0.521) 12.721 12.286 ( 7.052 -2.622 -3.780) 8.420 12.425 ( 3.043 -1.445 5.363) 6.333 12.503 ( 6.039 2.121 -0.216) 6.405 12.602 ( 8.145 2.534 2.235) 8.818 12.627 ( 3.582 0.738 4.250) 5.607 12.665 ( 2.273 -0.997 -0.783) 2.603 12.757 ( 10.136 -1.570 4.873) 11.355 12.852 ( 12.809 -4.840 -0.865) 13.721 13.024 ( 5.209 -3.425 -5.570) 8.360 13.105 ( 3.538 -10.360 3.335) 11.444 13.182 ( -1.685 -0.092 -8.743) 8.904 13.369 ( 0.258 -3.300 -1.770) 3.754 13.469 ( -0.011 -6.841 -5.094) 8.529 13.637 ( 4.011 6.586 1.157) 7.798 13.773 ( 4.977 -7.884 1.544) 9.450 13.833 ( -1.716 2.919 -1.858) 3.862 14.074 ( 9.807 1.389 -19.369) 21.755 14.471 ( -3.631 -10.370 -1.425) 11.080 14.535 ( 13.742 -4.886 19.869) 24.647 14.569 ( -7.531 -1.417 3.716) 8.517 14.708 ( 0.146 0.438 3.126) 3.160 14.799 ( 0.223 -9.932 1.018) 9.987 14.940 ( 8.821 -6.002 -1.347) 10.755 15.118 ( 6.817 0.199 -3.993) 7.902 15.168 ( -4.478 5.549 -6.277) 9.500 15.437 ( 1.199 -4.975 -4.009) 6.501 15.649 ( 1.071 0.557 -15.802) 15.848 15.748 ( -0.651 15.870 -0.976) 15.913 15.914 ( -4.409 8.609 1.970) 9.871 16.008 ( -5.399 -5.469 4.842) 9.084 16.327 ( -4.469 1.609 2.365) 5.306 16.373 ( -7.085 1.164 15.871) 17.419 16.614 ( 0.107 -5.455 2.528) 6.013 16.909 ( -0.309 2.633 -0.488) 2.695 17.126 ( -1.991 -1.950 1.233) 3.047 17.932 ( -4.021 0.668 0.723) 4.140 18.109 ( -4.075 -3.428 1.002) 5.419 18.359 ( -6.346 3.182 -1.136) 7.189 18.422 ( -7.391 3.085 -1.314) 8.116 21.059 ( 2.515 1.761 0.924) 3.206 21.137 ( -0.361 3.837 0.484) 3.885 21.407 ( 2.146 -6.805 -6.051) 9.355 21.545 ( 14.158 -13.305 -9.054) 21.435 21.993 ( 0.162 5.357 0.046) 5.359 22.333 ( 1.647 -2.955 -0.080) 3.384 22.417 ( 2.513 3.583 0.403) 4.395 22.624 ( 1.910 -3.432 0.425) 3.951 22.948 ( -2.030 8.182 -4.150) 9.396 23.130 ( -1.701 7.538 -13.549) 15.597 23.181 ( -0.618 1.574 5.410) 5.669 23.370 ( 2.554 2.665 2.675) 4.559 23.614 ( 1.494 -2.869 3.978) 5.127 23.698 ( 2.912 -4.704 5.452) 7.767 23.955 ( -0.251 -0.335 3.722) 3.746 24.080 ( 1.388 -1.257 -0.338) 1.903 24.479 ( -5.488 2.232 10.151) 11.753 24.553 ( -0.089 -0.595 -5.418) 5.451 24.733 ( 2.736 0.296 1.446) 3.109 24.761 ( -14.237 15.522 9.313) 23.029 24.920 ( -3.460 -7.417 -0.306) 8.190 25.461 ( -11.273 -7.545 -2.764) 13.844 26.142 ( -11.016 13.223 3.969) 17.662 26.446 ( -14.933 8.698 1.868) 17.382 26.788 ( 3.636 0.082 0.612) 3.688 26.821 ( 2.799 0.472 -0.469) 2.877 26.886 ( 5.691 -2.834 -0.400) 6.370 27.104 ( -2.422 -1.715 -4.383) 5.293 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 23.307 10.649 3.765) 25.900 1.445 ( 17.330 14.173 5.857) 23.141 1.657 ( 0.153 3.855 -5.062) 6.364 2.005 ( -1.246 -0.662 -3.715) 3.974 2.041 ( 0.635 -0.726 3.167) 3.311 2.110 ( -0.686 -4.024 -4.499) 6.075 2.134 ( 0.963 -1.685 2.557) 3.211 2.179 ( 9.669 3.908 4.052) 11.189 2.195 ( -0.855 -0.533 3.655) 3.791 2.332 ( 8.562 3.549 -0.363) 9.275 2.417 ( 4.017 1.578 -2.378) 4.927 2.445 ( -1.515 -0.447 -3.421) 3.768 2.610 ( 11.995 6.551 3.870) 14.204 2.631 ( 4.845 -2.964 -1.131) 5.792 2.683 ( 5.237 -4.331 -0.635) 6.825 2.758 ( -2.674 -4.437 1.422) 5.372 2.775 ( 0.334 1.196 -0.409) 1.308 2.838 ( -2.324 -1.569 0.226) 2.813 2.902 ( -0.033 1.490 -0.838) 1.710 2.961 ( -0.882 -2.806 1.595) 3.346 2.970 ( 6.827 -0.129 -1.292) 6.949 3.047 ( -2.242 0.556 2.317) 3.271 3.106 ( 4.518 1.127 -0.205) 4.661 3.178 ( 4.336 4.150 -1.585) 6.208 3.253 ( 3.385 -0.184 3.290) 4.725 3.312 ( 3.111 -2.810 -2.685) 4.979 3.396 ( -1.818 -3.851 0.560) 4.295 3.458 ( -0.879 0.691 -0.680) 1.309 3.502 ( -0.359 -1.091 2.228) 2.507 3.545 ( 5.806 1.507 -0.376) 6.011 3.721 ( 0.814 -0.256 4.072) 4.161 3.771 ( -3.046 5.564 -0.970) 6.417 3.842 ( 0.626 4.375 -0.493) 4.447 3.879 ( -2.748 0.198 -2.108) 3.469 3.996 ( -5.124 -1.795 -0.922) 5.507 4.046 ( -0.238 -2.128 -3.707) 4.281 4.136 ( -4.620 0.380 3.018) 5.531 4.214 ( -1.483 -1.140 -2.565) 3.175 4.302 ( -0.754 -5.774 -0.305) 5.831 4.405 ( 1.954 3.697 -0.635) 4.229 4.543 ( -4.259 -1.052 -3.765) 5.781 4.697 ( -2.557 -4.447 0.761) 5.186 4.721 ( -3.702 2.836 0.246) 4.670 4.844 ( -6.249 -4.815 -5.057) 9.370 4.949 ( -0.903 -1.896 -6.161) 6.509 5.040 ( -1.266 1.797 -1.909) 2.912 5.088 ( -4.125 -2.983 0.205) 5.095 5.181 ( 0.511 3.245 -0.262) 3.295 5.275 ( 0.387 1.125 5.299) 5.431 5.419 ( -3.909 -0.317 0.110) 3.924 5.460 ( 3.853 2.953 3.520) 5.996 5.525 ( 4.690 3.470 2.983) 6.552 5.804 ( 3.829 1.216 3.797) 5.528 5.875 ( 2.688 -0.545 -2.089) 3.448 5.992 ( 2.267 0.587 4.601) 5.162 6.113 ( 3.293 -5.167 -5.006) 7.912 6.247 ( -3.221 1.414 1.299) 3.749 6.346 ( -0.984 3.110 3.233) 4.593 6.474 ( 1.676 -1.150 2.830) 3.484 6.573 ( -6.334 1.003 -7.157) 9.610 6.758 ( -9.277 1.196 -3.641) 10.037 6.932 ( -6.445 -2.060 -3.133) 7.456 6.988 ( -9.450 7.996 4.224) 13.080 7.060 ( 1.151 5.627 0.218) 5.748 7.307 ( -16.540 0.271 3.981) 17.015 7.534 ( -4.516 5.054 1.612) 6.967 7.899 ( -2.371 -2.667 -3.428) 4.948 7.938 ( 1.336 -1.797 1.760) 2.848 8.143 ( 13.208 5.146 -2.471) 14.389 8.266 ( 4.594 8.145 -1.441) 9.462 8.486 ( 7.484 1.733 -1.895) 7.912 8.602 ( 6.983 2.304 1.720) 7.551 8.724 ( 6.633 -3.703 4.690) 8.927 8.764 ( 9.715 -3.445 -4.076) 11.084 8.796 ( 3.564 -0.831 0.562) 3.703 8.928 ( 3.836 -1.217 0.655) 4.078 8.995 ( -5.988 -4.820 -6.979) 10.382 9.105 ( -2.912 -4.749 -4.562) 7.201 9.260 ( -3.883 -6.653 -1.740) 7.897 9.306 ( -2.748 -3.075 -1.142) 4.279 9.350 ( 3.143 5.699 0.003) 6.508 9.433 ( -3.093 0.654 2.380) 3.958 9.545 ( -3.868 -1.487 -0.471) 4.171 9.686 ( -5.233 4.891 -1.669) 7.354 9.750 ( 1.340 8.757 5.643) 10.504 9.807 ( -5.184 1.982 3.984) 6.831 9.843 ( -3.248 3.213 1.681) 4.869 10.007 ( -5.977 -4.306 -2.285) 7.713 10.145 ( -2.987 -2.005 -0.240) 3.606 10.239 ( -7.649 -4.690 -1.969) 9.186 10.281 ( -2.844 0.744 5.044) 5.838 10.353 ( -9.897 -3.108 -1.028) 10.425 10.503 ( -0.877 3.597 0.506) 3.737 10.575 ( 0.382 -2.154 -2.326) 3.193 10.598 ( -1.204 1.651 -4.750) 5.171 10.682 ( 2.716 12.184 -4.018) 13.114 10.805 ( 1.875 4.024 4.279) 6.166 10.865 ( -3.434 0.110 -1.196) 3.638 11.044 ( 3.568 -6.426 4.107) 8.420 11.187 ( 3.218 0.799 -1.714) 3.733 11.258 ( 2.787 0.065 1.847) 3.344 11.296 ( -2.127 -1.676 2.923) 3.985 11.347 ( 5.472 2.222 -5.363) 7.978 11.430 ( -2.551 0.538 0.998) 2.792 11.519 ( -2.594 0.011 3.893) 4.678 11.671 ( -1.780 -3.015 2.232) 4.152 11.755 ( 9.293 -0.971 -3.035) 9.825 11.837 ( -1.871 -2.427 -2.492) 3.950 11.876 ( -1.368 1.930 0.254) 2.380 11.992 ( 1.471 -1.403 7.379) 7.653 12.081 ( -0.064 -0.071 -1.711) 1.713 12.165 ( 1.516 -4.915 -1.967) 5.507 12.324 ( -3.416 -1.466 -2.091) 4.265 12.448 ( 11.104 -1.219 -5.114) 12.286 12.580 ( 4.167 -3.204 0.082) 5.257 12.642 ( 5.429 0.707 2.105) 5.865 12.700 ( 4.112 3.883 1.566) 5.868 12.726 ( 4.034 1.713 3.255) 5.459 12.741 ( 7.223 -1.542 2.782) 7.892 12.991 ( 0.243 -1.548 -2.390) 2.858 13.027 ( 7.561 -2.735 2.666) 8.471 13.096 ( 6.703 -2.777 -5.084) 8.860 13.189 ( 9.994 0.458 0.333) 10.010 13.254 ( 8.705 -8.709 0.566) 12.327 13.408 ( 2.501 -8.172 0.673) 8.573 13.448 ( 2.275 -6.406 -5.063) 8.476 13.728 ( 0.848 3.013 -1.333) 3.402 13.773 ( -0.016 6.666 -0.127) 6.667 13.829 ( 0.475 1.810 0.021) 1.871 14.096 ( -0.147 1.015 -9.711) 9.765 14.423 ( -1.531 -3.536 -1.038) 3.990 14.477 ( -2.013 -0.540 5.069) 5.480 14.687 ( -0.099 4.070 8.604) 9.519 14.763 ( -1.184 -12.496 3.284) 12.975 14.886 ( 5.668 -5.848 1.895) 8.362 15.046 ( -2.761 4.543 -5.497) 7.647 15.111 ( 7.860 -0.965 -4.967) 9.347 15.242 ( 5.329 -9.750 1.256) 11.182 15.454 ( 4.354 -2.723 -6.956) 8.646 15.572 ( 0.295 -2.253 -7.163) 7.515 15.728 ( -0.669 15.389 -0.567) 15.414 15.799 ( -6.422 3.396 -3.347) 7.998 15.938 ( -3.749 1.422 5.910) 7.142 16.177 ( -8.892 5.486 -1.202) 10.517 16.320 ( -8.565 -2.564 12.963) 15.747 16.635 ( 0.610 -5.990 1.418) 6.185 16.900 ( -0.243 2.682 -0.666) 2.774 17.082 ( -2.814 -1.581 0.886) 3.348 17.843 ( -4.735 0.713 1.219) 4.941 18.022 ( -4.772 -3.438 1.380) 6.041 18.194 ( -7.776 4.177 -1.525) 8.957 18.278 ( -6.266 1.537 -0.662) 6.485 21.096 ( 1.242 1.004 -0.897) 1.831 21.187 ( 3.407 4.084 1.955) 5.667 21.388 ( 0.498 -6.827 -5.732) 8.928 21.708 ( 7.994 -13.370 -8.315) 17.658 21.996 ( 0.128 6.480 -0.022) 6.482 22.358 ( 0.712 -3.222 -0.206) 3.306 22.453 ( 1.500 8.479 -2.051) 8.851 22.680 ( 2.983 0.211 0.734) 3.079 22.888 ( -1.663 3.202 -1.045) 3.756 23.017 ( -2.158 5.852 -8.187) 10.292 23.246 ( 2.106 5.764 5.358) 8.147 23.446 ( 3.271 4.129 2.405) 5.791 23.678 ( 2.651 -2.385 4.619) 5.835 23.815 ( 5.624 -3.503 1.442) 6.781 24.006 ( -0.816 -10.143 14.168) 17.444 24.085 ( -0.285 -5.034 -1.937) 5.401 24.485 ( 1.260 3.144 -6.440) 7.277 24.542 ( 0.297 4.064 7.224) 8.294 24.601 ( -7.643 7.193 5.982) 12.081 24.816 ( 0.565 -1.981 -3.443) 4.013 24.854 ( 4.171 -0.637 -1.709) 4.552 25.199 ( -11.169 -9.038 -1.342) 14.430 25.870 ( -17.246 12.448 3.621) 21.575 26.128 ( -16.307 5.251 -0.522) 17.139 26.870 ( 3.562 -0.146 0.658) 3.625 26.897 ( 4.285 -0.247 -0.798) 4.365 26.970 ( 2.770 -1.355 0.710) 3.165 27.094 ( 1.915 -2.808 -2.041) 3.965 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 1.370 5.619 -2.934) 6.485 1.738 ( 11.491 2.902 3.213) 12.279 1.830 ( 9.297 0.059 1.527) 9.421 1.953 ( -4.136 -0.338 -1.208) 4.322 1.990 ( 2.508 3.707 -1.150) 4.621 2.022 ( -1.597 -1.669 2.552) 3.443 2.155 ( -0.979 0.939 -2.823) 3.133 2.207 ( 0.702 2.865 3.855) 4.854 2.300 ( 1.664 3.265 3.698) 5.206 2.354 ( -2.323 -0.030 -5.005) 5.517 2.464 ( 0.624 -0.667 -3.688) 3.799 2.469 ( -3.731 3.830 0.560) 5.377 2.531 ( -2.997 1.434 -3.559) 4.868 2.624 ( -3.379 1.060 0.316) 3.555 2.708 ( 2.620 -1.774 -0.824) 3.270 2.749 ( 0.406 -7.045 0.398) 7.067 2.797 ( 1.158 -4.713 -1.220) 5.004 2.881 ( 2.050 -4.931 -1.312) 5.499 2.947 ( 1.070 0.617 0.015) 1.235 3.016 ( -1.252 -6.835 -0.871) 7.004 3.097 ( 5.697 0.216 2.791) 6.348 3.138 ( 3.781 -1.997 1.452) 4.516 3.190 ( -1.707 -5.019 0.517) 5.327 3.255 ( 1.054 0.740 1.238) 1.786 3.327 ( 3.029 4.493 -2.339) 5.901 3.377 ( 2.365 4.080 2.887) 5.529 3.388 ( 8.832 5.016 2.478) 10.455 3.445 ( 0.337 6.812 -0.469) 6.837 3.557 ( 0.067 -1.781 1.094) 2.091 3.622 ( -0.867 0.151 1.364) 1.623 3.700 ( 2.448 -2.692 -1.469) 3.924 3.751 ( -1.917 -1.335 0.302) 2.356 3.783 ( -0.579 -2.221 2.185) 3.169 3.893 ( 1.958 4.071 1.595) 4.791 3.933 ( -0.362 1.703 -3.731) 4.117 3.987 ( -2.958 3.599 0.744) 4.717 4.085 ( 0.858 7.003 0.051) 7.055 4.201 ( -4.705 -4.905 -1.362) 6.931 4.323 ( 3.170 -3.660 -1.934) 5.214 4.407 ( 0.212 1.234 4.140) 4.325 4.473 ( -1.190 4.205 0.594) 4.410 4.598 ( -3.645 1.691 -4.942) 6.369 4.611 ( -6.283 0.194 -2.397) 6.728 4.710 ( -3.079 0.248 -0.828) 3.198 4.869 ( -2.061 -6.104 -3.061) 7.133 4.994 ( -1.603 -6.810 -0.292) 7.002 5.014 ( -1.986 0.964 -1.897) 2.911 5.226 ( 1.449 3.150 0.671) 3.531 5.299 ( -1.649 -2.681 0.034) 3.148 5.349 ( -0.829 -1.156 2.055) 2.500 5.566 ( 4.352 8.272 2.983) 9.812 5.667 ( 4.655 4.548 2.618) 7.015 5.888 ( 3.279 0.902 -1.922) 3.906 5.953 ( 3.908 2.106 5.608) 7.152 5.983 ( -3.737 1.921 1.613) 4.501 6.094 ( -2.409 -4.025 -2.513) 5.322 6.197 ( 0.776 0.653 -2.613) 2.803 6.338 ( -7.632 0.611 -1.470) 7.796 6.345 ( -2.135 7.453 -1.224) 7.849 6.602 ( 1.350 0.341 2.296) 2.685 6.696 ( 0.603 1.804 -1.073) 2.184 6.743 ( -4.563 4.370 -2.039) 6.640 6.865 ( -1.886 -0.922 0.329) 2.125 7.112 ( 1.595 2.336 2.000) 3.465 7.147 ( -2.740 -2.213 -0.056) 3.522 7.491 ( -1.021 7.244 1.113) 7.400 7.772 ( -4.330 -5.630 -2.921) 7.680 7.966 ( 0.025 -1.099 2.545) 2.772 8.297 ( 0.756 6.360 -0.326) 6.413 8.423 ( 10.975 5.063 2.291) 12.301 8.610 ( 1.216 -2.379 -1.163) 2.914 8.683 ( 2.714 -1.855 0.043) 3.287 8.757 ( -4.322 -3.778 -4.660) 7.394 8.856 ( 3.405 -2.359 1.284) 4.337 8.952 ( 6.784 -2.726 1.375) 7.440 8.975 ( 3.732 4.397 -0.135) 5.769 9.007 ( 2.272 -5.097 1.867) 5.885 9.058 ( 1.676 -5.079 -4.396) 6.923 9.143 ( -2.972 -7.596 -1.544) 8.302 9.239 ( -4.664 -2.353 0.644) 5.263 9.370 ( 0.472 4.824 1.145) 4.981 9.441 ( 2.010 -1.415 -2.346) 3.398 9.486 ( -2.185 0.428 0.844) 2.382 9.578 ( -5.003 3.841 -0.303) 6.315 9.735 ( -0.164 4.539 -3.982) 6.040 9.765 ( -2.564 7.450 3.937) 8.808 9.821 ( -2.211 4.529 5.030) 7.121 9.896 ( -2.296 -6.377 -0.832) 6.829 10.054 ( -5.174 -2.147 -0.090) 5.603 10.102 ( -0.793 -4.554 -3.238) 5.644 10.193 ( -4.330 0.681 0.101) 4.384 10.300 ( -0.496 -1.907 2.550) 3.223 10.439 ( -3.247 -3.835 -3.463) 6.102 10.534 ( -0.314 5.059 -0.755) 5.124 10.587 ( 1.298 10.254 -1.948) 10.518 10.678 ( -0.772 1.872 -0.756) 2.161 10.834 ( 1.811 9.686 -1.290) 9.938 10.911 ( 1.838 5.477 6.578) 8.755 11.107 ( 0.195 -4.067 -0.597) 4.115 11.166 ( -1.810 -2.872 -0.874) 3.505 11.270 ( 0.583 -0.942 4.035) 4.184 11.327 ( -1.017 -2.229 -4.512) 5.134 11.409 ( 2.135 0.053 -2.742) 3.476 11.474 ( 4.509 -1.127 -1.891) 5.017 11.501 ( -0.865 -1.797 6.776) 7.064 11.668 ( 0.233 -1.935 2.341) 3.046 11.797 ( 0.319 -6.639 -1.286) 6.770 11.849 ( 3.109 3.240 -4.058) 6.052 11.901 ( -0.890 1.376 5.905) 6.128 11.975 ( -0.710 -1.519 -1.293) 2.117 12.108 ( -2.070 -7.640 1.136) 7.996 12.211 ( 1.080 2.626 2.889) 4.051 12.226 ( -0.179 2.661 -2.951) 3.978 12.539 ( -0.882 -12.631 -4.634) 13.483 12.595 ( 2.774 4.505 -1.757) 5.575 12.681 ( -1.072 2.059 2.095) 3.127 12.761 ( 3.128 0.516 -3.943) 5.059 12.791 ( -1.233 -1.012 4.688) 4.951 12.968 ( 11.085 -0.414 1.686) 11.220 13.044 ( 3.206 -1.082 -1.656) 3.767 13.150 ( 0.567 -6.225 0.857) 6.309 13.212 ( 8.969 -0.877 1.952) 9.221 13.254 ( -2.093 -7.662 0.253) 7.947 13.409 ( 3.091 -5.091 -1.538) 6.151 13.455 ( 2.793 -3.291 1.366) 4.528 13.532 ( -1.809 -0.598 -3.278) 3.791 13.635 ( 2.662 4.034 -0.364) 4.847 13.785 ( -2.613 1.733 0.022) 3.135 13.886 ( 3.539 4.692 0.746) 5.924 14.000 ( -2.280 6.889 -4.404) 8.488 14.320 ( -5.386 4.713 1.418) 7.296 14.583 ( 5.601 -5.835 1.572) 8.240 14.725 ( -0.019 -0.825 1.475) 1.690 14.753 ( -1.056 -14.498 1.713) 14.637 14.923 ( -2.398 -3.009 1.625) 4.177 14.999 ( 0.721 -0.671 -3.011) 3.168 15.209 ( 4.503 2.071 -0.709) 5.007 15.303 ( 0.419 -4.730 1.549) 4.994 15.443 ( -0.059 0.478 -6.078) 6.097 15.640 ( -4.007 0.648 -1.974) 4.514 15.690 ( 8.214 -0.785 0.793) 8.290 15.724 ( -0.058 11.438 0.873) 11.472 15.933 ( -0.234 2.476 0.302) 2.505 15.990 ( -7.424 3.997 -1.024) 8.494 16.217 ( -5.828 -0.145 4.951) 7.649 16.653 ( 0.384 -6.436 0.369) 6.458 16.893 ( -0.072 2.445 -0.354) 2.472 17.038 ( -1.515 -1.271 0.207) 1.988 17.778 ( -1.983 0.769 0.640) 2.222 17.956 ( -2.069 -3.178 0.704) 3.857 18.068 ( -3.360 4.574 -0.549) 5.702 18.178 ( -2.705 0.941 -0.397) 2.891 21.110 ( 0.594 0.484 -0.539) 0.936 21.253 ( 1.585 4.414 1.171) 4.834 21.364 ( 0.124 -7.554 -2.736) 8.035 21.777 ( 2.595 -11.913 -2.923) 12.537 21.998 ( 0.065 7.497 -0.067) 7.498 22.362 ( 0.055 -3.061 -0.226) 3.070 22.462 ( 0.525 11.198 -0.975) 11.253 22.735 ( 1.596 3.597 0.648) 3.988 22.857 ( -1.168 -1.651 -0.136) 2.027 22.950 ( -0.731 3.887 -2.653) 4.762 23.301 ( 0.803 8.115 1.716) 8.333 23.513 ( 1.556 5.270 1.502) 5.696 23.778 ( 3.293 -2.509 3.800) 5.620 23.904 ( 2.753 -5.805 -2.659) 6.953 24.045 ( -2.077 -11.176 1.939) 11.531 24.110 ( 2.331 -11.263 8.189) 14.119 24.414 ( -2.233 2.560 -8.853) 9.482 24.497 ( -2.374 -1.030 -0.908) 2.742 24.577 ( -3.689 8.037 7.453) 11.565 24.824 ( 3.486 4.506 -1.551) 5.905 24.994 ( 5.033 -4.645 -4.771) 8.347 25.083 ( 1.615 -3.396 3.301) 5.004 25.556 ( -13.122 12.006 1.972) 17.895 25.841 ( -9.304 1.981 -0.913) 9.556 26.927 ( 1.469 -0.536 0.245) 1.583 26.956 ( 1.639 -1.164 -0.476) 2.066 27.012 ( 0.965 -0.003 0.436) 1.059 27.119 ( 0.982 -2.400 -0.543) 2.649 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.000 25.431 0.000) 25.431 1.168 ( 0.000 26.892 0.000) 26.892 1.546 ( 0.000 -18.270 0.000) 18.270 1.632 ( 0.000 -19.119 0.000) 19.119 1.882 ( 0.000 3.349 0.000) 3.349 1.984 ( 0.000 -4.468 0.000) 4.468 2.062 ( 0.000 2.696 0.000) 2.696 2.092 ( 0.000 7.788 0.000) 7.788 2.236 ( 0.000 4.738 0.000) 4.738 2.294 ( 0.000 4.839 0.000) 4.839 2.350 ( 0.000 16.225 0.000) 16.225 2.456 ( 0.000 2.723 0.000) 2.723 2.510 ( 0.000 8.453 0.000) 8.453 2.552 ( 0.000 -5.272 0.000) 5.272 2.564 ( 0.000 0.482 0.000) 0.482 2.718 ( 0.000 1.149 0.000) 1.149 2.741 ( 0.000 3.996 0.000) 3.996 2.829 ( 0.000 1.540 0.000) 1.540 2.890 ( 0.000 -2.648 0.000) 2.648 2.918 ( 0.000 0.689 0.000) 0.689 2.922 ( 0.000 -0.351 0.000) 0.351 3.051 ( 0.000 -5.397 0.000) 5.397 3.188 ( 0.000 4.654 0.000) 4.654 3.199 ( 0.000 4.322 0.000) 4.322 3.255 ( 0.000 6.682 0.000) 6.682 3.342 ( 0.000 -6.382 0.000) 6.382 3.361 ( 0.000 -7.768 0.000) 7.768 3.419 ( 0.000 -7.444 0.000) 7.444 3.444 ( 0.000 2.189 0.000) 2.189 3.494 ( 0.000 -4.212 0.000) 4.212 3.505 ( 0.000 -5.691 0.000) 5.691 3.590 ( 0.000 -20.523 0.000) 20.523 3.788 ( 0.000 4.220 0.000) 4.220 3.880 ( 0.000 -0.055 0.000) 0.055 3.957 ( 0.000 0.367 0.000) 0.367 3.961 ( 0.000 -1.147 0.000) 1.147 4.131 ( 0.000 7.407 0.000) 7.407 4.160 ( 0.000 4.890 0.000) 4.890 4.377 ( 0.000 4.924 0.000) 4.924 4.534 ( 0.000 -8.683 0.000) 8.683 4.588 ( 0.000 -0.565 0.000) 0.565 4.591 ( 0.000 1.298 0.000) 1.298 4.844 ( 0.000 1.329 0.000) 1.329 4.921 ( 0.000 -4.690 0.000) 4.690 4.998 ( 0.000 3.553 0.000) 3.553 5.053 ( 0.000 -1.536 0.000) 1.536 5.080 ( 0.000 3.341 0.000) 3.341 5.171 ( 0.000 -4.458 0.000) 4.458 5.360 ( 0.000 -0.650 0.000) 0.650 5.383 ( 0.000 -2.148 0.000) 2.148 5.503 ( 0.000 2.603 0.000) 2.603 5.509 ( 0.000 1.942 0.000) 1.942 5.717 ( 0.000 -1.407 0.000) 1.407 5.718 ( 0.000 -1.349 0.000) 1.349 5.883 ( 0.000 2.120 0.000) 2.120 5.931 ( 0.000 -1.790 0.000) 1.790 6.277 ( 0.000 -0.364 0.000) 0.364 6.291 ( 0.000 -2.297 0.000) 2.297 6.664 ( 0.000 3.272 0.000) 3.272 6.708 ( 0.000 -1.307 0.000) 1.307 7.136 ( 0.000 3.803 0.000) 3.803 7.189 ( 0.000 0.351 0.000) 0.351 7.390 ( 0.000 2.962 0.000) 2.962 7.426 ( 0.000 0.061 0.000) 0.061 7.504 ( 0.000 0.505 0.000) 0.505 7.575 ( 0.000 -4.809 0.000) 4.809 7.747 ( 0.000 6.033 0.000) 6.033 7.897 ( 0.000 -1.690 0.000) 1.690 7.960 ( 0.000 -0.158 0.000) 0.158 8.071 ( 0.000 -3.960 0.000) 3.960 8.358 ( 0.000 1.183 0.000) 1.183 8.431 ( 0.000 -5.681 0.000) 5.681 8.824 ( 0.000 4.051 0.000) 4.051 8.862 ( 0.000 2.290 0.000) 2.290 8.938 ( 0.000 7.955 0.000) 7.955 9.034 ( 0.000 0.385 0.000) 0.385 9.059 ( 0.000 3.239 0.000) 3.239 9.148 ( 0.000 -5.146 0.000) 5.146 9.258 ( 0.000 2.097 0.000) 2.097 9.399 ( 0.000 -8.219 0.000) 8.219 9.434 ( 0.000 2.974 0.000) 2.974 9.490 ( 0.000 -1.694 0.000) 1.694 9.646 ( 0.000 5.341 0.000) 5.341 9.777 ( 0.000 -6.253 0.000) 6.253 9.862 ( 0.000 -0.721 0.000) 0.721 9.887 ( 0.000 -0.421 0.000) 0.421 10.052 ( 0.000 -1.329 0.000) 1.329 10.057 ( 0.000 4.136 0.000) 4.136 10.156 ( 0.000 1.380 0.000) 1.380 10.172 ( 0.000 -4.324 0.000) 4.324 10.378 ( 0.000 2.475 0.000) 2.475 10.389 ( 0.000 2.860 0.000) 2.860 10.452 ( 0.000 3.223 0.000) 3.223 10.539 ( 0.000 -3.457 0.000) 3.457 10.636 ( 0.000 3.467 0.000) 3.467 10.702 ( 0.000 2.822 0.000) 2.822 10.838 ( 0.000 -4.137 0.000) 4.137 10.876 ( 0.000 -9.931 0.000) 9.931 11.048 ( 0.000 0.781 0.000) 0.781 11.075 ( 0.000 1.831 0.000) 1.831 11.152 ( 0.000 9.326 0.000) 9.326 11.415 ( 0.000 -6.883 0.000) 6.883 11.498 ( 0.000 7.241 0.000) 7.241 11.582 ( 0.000 -0.852 0.000) 0.852 11.586 ( 0.000 -0.196 0.000) 0.196 11.595 ( 0.000 -0.587 0.000) 0.587 11.629 ( 0.000 -1.305 0.000) 1.305 11.681 ( 0.000 -0.963 0.000) 0.963 11.718 ( 0.000 -1.605 0.000) 1.605 11.904 ( 0.000 -5.102 0.000) 5.102 12.100 ( 0.000 4.885 0.000) 4.885 12.136 ( 0.000 0.558 0.000) 0.558 12.140 ( 0.000 0.567 0.000) 0.567 12.177 ( 0.000 -1.698 0.000) 1.698 12.276 ( 0.000 0.728 0.000) 0.728 12.317 ( 0.000 -1.404 0.000) 1.404 12.541 ( 0.000 2.777 0.000) 2.777 12.584 ( 0.000 -0.913 0.000) 0.913 12.670 ( 0.000 2.785 0.000) 2.785 12.686 ( 0.000 -2.530 0.000) 2.530 12.770 ( 0.000 4.098 0.000) 4.098 12.856 ( 0.000 -6.743 0.000) 6.743 13.002 ( 0.000 4.904 0.000) 4.904 13.226 ( 0.000 -14.452 0.000) 14.452 13.269 ( 0.000 0.577 0.000) 0.577 13.305 ( 0.000 -3.738 0.000) 3.738 13.663 ( 0.000 7.077 0.000) 7.077 13.825 ( 0.000 13.776 0.000) 13.776 13.828 ( 0.000 -6.181 0.000) 6.181 14.074 ( 0.000 -10.600 0.000) 10.600 14.209 ( 0.000 4.985 0.000) 4.985 14.313 ( 0.000 -6.451 0.000) 6.451 14.609 ( 0.000 -2.412 0.000) 2.412 14.629 ( 0.000 -2.870 0.000) 2.870 14.771 ( 0.000 0.747 0.000) 0.747 14.791 ( 0.000 -0.892 0.000) 0.892 15.158 ( 0.000 6.905 0.000) 6.905 15.306 ( 0.000 -7.638 0.000) 7.638 15.422 ( 0.000 9.999 0.000) 9.999 15.611 ( 0.000 -8.183 0.000) 8.183 15.986 ( 0.000 2.675 0.000) 2.675 15.987 ( 0.000 -0.191 0.000) 0.191 16.140 ( 0.000 13.995 0.000) 13.995 16.396 ( 0.000 -9.591 0.000) 9.591 16.418 ( 0.000 6.664 0.000) 6.664 16.515 ( 0.000 -2.778 0.000) 2.778 16.982 ( 0.000 4.577 0.000) 4.577 17.077 ( 0.000 -4.466 0.000) 4.466 18.006 ( 0.000 2.639 0.000) 2.639 18.074 ( 0.000 -4.047 0.000) 4.047 18.485 ( 0.000 2.744 0.000) 2.744 18.526 ( 0.000 -1.358 0.000) 1.358 21.077 ( 0.000 3.478 0.000) 3.478 21.154 ( 0.000 -4.122 0.000) 4.122 21.280 ( 0.000 3.078 0.000) 3.078 21.355 ( 0.000 -4.341 0.000) 4.341 22.109 ( 0.000 6.544 0.000) 6.544 22.230 ( 0.000 -5.473 0.000) 5.473 22.440 ( 0.000 3.421 0.000) 3.421 22.512 ( 0.000 -4.024 0.000) 4.024 23.146 ( 0.000 4.854 0.000) 4.854 23.159 ( 0.000 0.712 0.000) 0.712 23.262 ( 0.000 2.350 0.000) 2.350 23.342 ( 0.000 -1.410 0.000) 1.410 23.518 ( 0.000 -0.807 0.000) 0.807 23.565 ( 0.000 -4.204 0.000) 4.204 24.028 ( 0.000 2.718 0.000) 2.718 24.057 ( 0.000 -0.497 0.000) 0.497 24.457 ( 0.000 -0.466 0.000) 0.466 24.505 ( 0.000 -4.223 0.000) 4.223 24.727 ( 0.000 2.184 0.000) 2.184 24.798 ( 0.000 -5.595 0.000) 5.595 25.239 ( 0.000 11.525 0.000) 11.525 25.444 ( 0.000 -9.177 0.000) 9.177 26.495 ( 0.000 10.224 0.000) 10.224 26.619 ( 0.000 -3.149 0.000) 3.149 26.749 ( 0.000 0.292 0.000) 0.292 26.756 ( 0.000 -0.415 0.000) 0.415 26.887 ( 0.000 6.453 0.000) 6.453 27.062 ( 0.000 -10.163 0.000) 10.163 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 12.365 21.860 2.077) 25.200 1.390 ( 15.028 16.911 3.030) 22.825 1.657 ( 8.199 -13.108 1.641) 15.548 1.699 ( 5.362 -12.279 -3.254) 13.788 1.942 ( 6.034 -0.560 1.814) 6.326 1.999 ( 3.361 -3.794 0.537) 5.097 2.073 ( 0.707 5.454 3.619) 6.583 2.157 ( 2.250 -1.099 2.472) 3.519 2.253 ( -0.606 7.101 0.827) 7.174 2.335 ( 3.020 -2.334 0.812) 3.902 2.369 ( 0.274 6.311 0.845) 6.373 2.442 ( 1.523 5.709 -6.097) 8.490 2.546 ( 5.561 5.776 3.557) 8.772 2.561 ( 2.540 0.749 0.591) 2.713 2.612 ( 4.571 7.964 1.527) 9.309 2.725 ( -1.896 3.157 -0.304) 3.695 2.767 ( 0.504 3.947 1.278) 4.179 2.802 ( 2.185 -2.736 2.216) 4.144 2.835 ( -2.668 -2.647 -0.082) 3.759 2.981 ( 1.075 -4.623 1.219) 4.900 3.017 ( 6.324 2.429 -0.487) 6.792 3.063 ( -0.614 0.211 0.018) 0.650 3.143 ( -3.636 2.682 -2.030) 4.953 3.203 ( -0.152 3.298 -1.520) 3.635 3.249 ( -3.019 0.543 0.564) 3.119 3.293 ( -0.894 -3.709 -0.115) 3.817 3.338 ( -2.332 5.450 -3.235) 6.754 3.385 ( 2.553 -5.375 2.285) 6.375 3.412 ( 1.149 -9.816 -0.080) 9.884 3.532 ( 2.938 2.096 -0.988) 3.742 3.596 ( 3.007 -5.875 2.934) 7.223 3.646 ( 5.701 -20.275 -2.226) 21.179 3.892 ( 2.980 1.906 0.383) 3.558 3.913 ( 1.600 1.012 -0.468) 1.950 3.968 ( 2.600 1.080 -2.038) 3.476 4.033 ( 2.389 -1.947 1.465) 3.413 4.097 ( -1.940 6.682 -1.815) 7.190 4.188 ( 2.917 0.307 0.192) 2.939 4.357 ( -0.219 5.299 -1.686) 5.565 4.507 ( -0.779 -7.456 -0.149) 7.498 4.543 ( -3.436 5.949 1.422) 7.016 4.646 ( 1.175 -2.983 -0.400) 3.232 4.800 ( -3.950 0.492 1.316) 4.192 4.879 ( -3.088 -5.411 -2.047) 6.558 4.979 ( -2.697 0.356 1.172) 2.962 5.013 ( -2.836 -1.292 -1.737) 3.568 5.173 ( 5.139 2.541 3.521) 6.728 5.190 ( 1.248 0.525 2.358) 2.719 5.367 ( 0.980 2.273 -4.061) 4.756 5.400 ( 2.930 -0.494 -5.201) 5.990 5.457 ( -2.002 0.418 2.143) 2.962 5.474 ( -1.526 -0.467 1.283) 2.047 5.746 ( 1.849 -0.106 2.482) 3.097 5.765 ( 2.909 -1.728 0.984) 3.524 5.914 ( 3.556 1.967 -0.271) 4.072 5.966 ( 4.289 -2.930 -1.493) 5.405 6.284 ( -1.180 -0.208 4.519) 4.675 6.294 ( -0.948 -1.444 4.450) 4.774 6.609 ( -4.073 3.836 -3.061) 6.378 6.671 ( -2.893 -2.503 -2.697) 4.680 7.056 ( -8.462 2.669 -5.096) 10.232 7.100 ( -7.302 -0.481 -2.972) 7.898 7.190 ( -15.274 2.446 2.254) 15.632 7.218 ( -9.523 1.229 2.656) 9.962 7.596 ( 3.662 3.653 -0.112) 5.173 7.690 ( 0.599 -1.040 -1.271) 1.748 7.723 ( 8.542 -0.232 -1.724) 8.717 7.818 ( 0.963 -5.655 0.292) 5.744 8.122 ( 7.209 7.104 -2.136) 10.344 8.277 ( 4.357 -8.279 -2.110) 9.590 8.390 ( 5.458 4.528 3.222) 7.789 8.473 ( 5.386 -3.120 5.190) 8.104 8.766 ( -5.579 6.137 -5.461) 9.931 8.812 ( -11.532 6.573 -4.127) 13.900 8.868 ( 1.154 0.340 -1.237) 1.726 8.895 ( -5.531 6.012 -1.333) 8.277 9.045 ( -1.260 7.567 -1.439) 7.805 9.084 ( -1.590 -4.834 -1.312) 5.255 9.156 ( -1.056 -4.707 -1.842) 5.164 9.308 ( -8.414 -11.129 -2.675) 14.205 9.410 ( -0.601 4.780 -1.852) 5.162 9.494 ( -2.305 -3.180 -2.857) 4.857 9.618 ( -2.110 1.760 2.861) 3.966 9.680 ( -0.547 -3.202 7.149) 7.852 9.844 ( 0.355 6.644 3.119) 7.348 9.942 ( -6.077 3.713 5.622) 9.073 10.008 ( -3.797 0.015 2.838) 4.741 10.131 ( -2.122 -4.008 3.633) 5.811 10.196 ( 1.604 -0.623 -1.548) 2.315 10.199 ( -0.448 -4.427 0.250) 4.457 10.339 ( -5.117 8.913 -0.543) 10.292 10.454 ( 4.723 1.928 1.991) 5.476 10.496 ( 4.452 -1.470 4.013) 6.171 10.523 ( -4.872 -5.023 -4.665) 8.410 10.654 ( 0.524 4.391 -5.681) 7.199 10.715 ( 4.316 1.987 -0.654) 4.796 10.805 ( -1.694 -5.634 3.807) 7.008 10.852 ( 0.643 -12.721 -7.762) 14.916 10.959 ( 0.334 8.770 -0.047) 8.776 11.108 ( 3.116 -7.100 4.262) 8.848 11.212 ( 5.471 8.635 -4.579) 11.201 11.377 ( -3.144 3.899 -0.960) 5.100 11.421 ( -6.738 4.877 1.766) 8.503 11.500 ( -5.915 -3.274 2.335) 7.152 11.566 ( -0.261 0.686 -1.760) 1.907 11.635 ( -1.135 -1.234 -2.335) 2.875 11.653 ( 1.187 4.133 3.097) 5.299 11.765 ( 4.579 -4.246 -1.405) 6.400 11.805 ( 7.008 -4.401 4.200) 9.280 11.833 ( -0.840 -6.084 -3.960) 7.307 12.103 ( 0.998 1.474 -2.821) 3.336 12.148 ( 4.815 -2.275 -1.075) 5.433 12.250 ( 2.016 4.843 2.059) 5.636 12.309 ( 2.448 -0.072 0.638) 2.530 12.417 ( 9.923 1.314 1.122) 10.072 12.468 ( 13.671 -4.110 -0.379) 14.280 12.627 ( 6.295 1.120 2.420) 6.837 12.653 ( 4.090 -0.380 3.179) 5.194 12.732 ( 9.356 5.337 -0.904) 10.809 12.765 ( 8.996 0.941 0.910) 9.091 12.802 ( 3.508 0.637 2.817) 4.544 12.895 ( 4.017 -6.810 1.147) 7.989 12.992 ( 1.072 1.135 -4.176) 4.458 13.131 ( -2.621 -8.174 -6.020) 10.485 13.284 ( -0.361 -3.039 -3.214) 4.438 13.302 ( 1.491 -5.447 -3.850) 6.835 13.701 ( 2.529 3.311 0.460) 4.192 13.797 ( 0.060 -1.042 -4.018) 4.152 13.902 ( 3.683 8.949 3.895) 10.432 14.072 ( 5.427 -5.169 -9.829) 12.360 14.292 ( 0.033 -2.434 -0.914) 2.600 14.372 ( 5.775 -8.028 7.359) 12.327 14.634 ( 2.624 4.285 10.200) 11.370 14.702 ( 0.540 -1.778 7.846) 8.063 14.740 ( -2.669 1.001 1.741) 3.340 14.802 ( 2.244 -5.591 3.699) 7.070 15.180 ( 2.803 5.387 -4.336) 7.462 15.299 ( -0.383 -3.940 -7.493) 8.474 15.359 ( -1.614 7.516 -4.747) 9.035 15.551 ( -1.815 -8.967 -10.603) 14.004 15.955 ( -4.357 1.448 5.311) 7.021 15.962 ( -5.608 1.507 8.610) 10.385 16.134 ( -1.034 14.178 0.746) 14.235 16.344 ( -2.814 -1.901 -4.294) 5.475 16.418 ( -3.971 0.676 5.942) 7.179 16.484 ( -1.902 -5.386 0.896) 5.782 16.976 ( -0.494 4.298 -0.074) 4.327 17.065 ( -1.370 -4.165 0.633) 4.429 17.965 ( -4.080 2.667 0.971) 4.970 18.032 ( -4.069 -4.007 0.971) 5.793 18.418 ( -5.957 2.508 -0.792) 6.512 18.447 ( -6.513 -0.273 -1.128) 6.616 21.114 ( 2.280 3.694 0.951) 4.444 21.180 ( 1.300 -1.155 2.127) 2.747 21.306 ( 2.927 -0.570 -5.687) 6.422 21.376 ( 4.486 -5.989 -3.151) 8.119 22.118 ( 0.926 6.838 -0.295) 6.906 22.246 ( 1.311 -5.774 -0.387) 5.934 22.488 ( 3.459 3.665 2.595) 5.669 22.558 ( 3.339 -3.401 2.813) 5.534 23.093 ( -2.229 5.579 -6.130) 8.583 23.166 ( -0.540 -1.879 -6.760) 7.037 23.266 ( 1.065 7.151 6.566) 9.766 23.396 ( 2.726 -2.711 6.498) 7.550 23.541 ( 1.134 -1.207 3.510) 3.881 23.598 ( 2.301 -4.860 3.671) 6.510 23.997 ( -1.891 3.130 -3.448) 5.026 24.051 ( -0.661 -2.037 -1.891) 2.857 24.482 ( 2.215 0.341 1.534) 2.716 24.514 ( 1.963 -2.497 -3.351) 4.617 24.739 ( 1.945 0.975 -1.204) 2.486 24.785 ( -0.465 -4.326 -1.402) 4.571 25.071 ( -14.111 13.316 2.606) 19.576 25.294 ( -12.346 -9.665 -1.804) 15.783 26.393 ( -11.311 10.629 2.102) 15.663 26.517 ( -12.224 -1.504 1.851) 12.455 26.793 ( 3.820 0.460 0.413) 3.870 26.811 ( 4.112 -1.336 0.163) 4.326 26.894 ( 2.258 4.014 -0.837) 4.681 27.010 ( -1.569 -6.695 -1.538) 7.046 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 15.821 14.344 2.769) 21.534 1.658 ( 8.597 6.730 -0.897) 10.954 1.720 ( 3.524 1.383 -3.015) 4.840 1.882 ( 9.761 -12.438 3.991) 16.307 2.032 ( -0.389 1.274 -1.971) 2.378 2.065 ( -3.189 -0.858 2.702) 4.267 2.092 ( -1.863 -0.660 -0.473) 2.033 2.143 ( 1.794 -4.151 4.947) 6.702 2.268 ( 1.567 5.054 0.562) 5.321 2.386 ( 1.386 -6.103 -0.350) 6.268 2.429 ( 6.817 4.432 -1.825) 8.333 2.461 ( 3.398 1.304 -2.875) 4.638 2.636 ( -0.432 -0.267 -2.181) 2.240 2.648 ( 1.084 2.047 -1.388) 2.700 2.693 ( -0.297 1.276 0.365) 1.360 2.785 ( 3.904 1.740 2.789) 5.104 2.809 ( 4.256 3.388 1.334) 5.601 2.819 ( 0.313 1.394 3.990) 4.238 2.871 ( 0.778 -1.144 0.919) 1.661 2.926 ( -4.993 -1.336 -3.171) 6.063 2.955 ( -0.501 0.926 -4.325) 4.451 3.041 ( -2.817 -2.164 -0.758) 3.632 3.154 ( 2.410 3.964 2.928) 5.485 3.243 ( 5.630 -1.442 2.054) 6.165 3.251 ( 3.702 2.360 -0.776) 4.458 3.294 ( 5.518 0.202 0.604) 5.554 3.362 ( 2.349 3.556 -1.468) 4.508 3.444 ( 4.073 -2.140 2.540) 5.256 3.508 ( 1.088 0.390 2.027) 2.333 3.568 ( 4.845 -0.898 0.151) 4.930 3.690 ( 3.368 -2.495 0.005) 4.192 3.720 ( 1.729 -9.308 -2.221) 9.724 3.875 ( -5.727 4.233 1.036) 7.197 3.925 ( 1.639 -2.635 -2.096) 3.745 3.964 ( -2.369 -1.438 1.144) 2.998 4.018 ( -0.210 -3.522 1.397) 3.795 4.080 ( 0.668 6.043 0.555) 6.105 4.211 ( 1.070 -4.034 -3.471) 5.428 4.332 ( -3.424 8.960 -0.096) 9.593 4.492 ( -0.004 2.216 -2.890) 3.642 4.509 ( -1.488 -2.501 1.059) 3.097 4.605 ( -3.109 -5.260 -0.996) 6.190 4.713 ( -5.075 0.389 1.367) 5.271 4.796 ( -2.757 -3.000 -2.689) 4.882 4.891 ( -5.763 -1.736 -1.190) 6.135 4.930 ( -4.376 -3.367 -2.616) 6.110 5.215 ( -1.035 5.835 1.115) 6.030 5.262 ( -4.502 2.664 -3.177) 6.120 5.294 ( 3.205 2.158 1.753) 4.243 5.381 ( -3.432 -3.437 -3.802) 6.168 5.526 ( 6.004 3.022 5.481) 8.673 5.560 ( 5.943 -0.143 3.713) 7.009 5.824 ( 5.436 1.267 0.483) 5.602 5.859 ( 6.564 -1.889 -0.695) 6.866 5.996 ( 2.580 1.410 0.621) 3.005 6.041 ( 3.176 -2.757 -6.263) 7.544 6.288 ( -1.350 2.505 5.997) 6.637 6.339 ( 1.794 -2.505 7.695) 8.289 6.507 ( -2.623 3.411 -3.097) 5.302 6.565 ( -3.828 -1.936 -4.328) 6.094 6.801 ( -9.280 2.988 -3.770) 10.452 6.870 ( -8.061 -3.722 -3.561) 9.566 7.078 ( -3.992 3.604 5.409) 7.628 7.138 ( -2.790 -1.468 4.235) 5.279 7.454 ( -14.349 14.221 -4.422) 20.681 7.645 ( -2.215 2.169 -0.271) 3.113 7.796 ( -5.649 -5.081 -1.882) 7.827 7.861 ( 0.156 -5.723 3.338) 6.627 8.252 ( 12.147 5.956 -1.617) 13.625 8.359 ( 8.974 -3.179 -0.937) 9.566 8.559 ( 5.724 6.577 -0.144) 8.720 8.621 ( 1.731 0.086 0.794) 1.906 8.660 ( 2.380 -0.126 -0.153) 2.388 8.714 ( 1.556 -3.060 1.557) 3.770 8.827 ( 0.947 4.054 -3.307) 5.317 8.894 ( 2.720 -2.158 -3.912) 5.231 8.963 ( -3.156 -0.103 -4.981) 5.897 9.060 ( -0.699 0.022 -1.020) 1.237 9.128 ( -4.533 -5.325 -2.023) 7.280 9.192 ( 0.949 -6.129 1.851) 6.472 9.395 ( -0.013 1.698 -0.979) 1.960 9.441 ( -1.193 -2.170 -3.241) 4.078 9.582 ( -3.022 4.641 1.735) 5.804 9.682 ( -3.616 -4.816 2.724) 6.610 9.844 ( -7.665 4.257 7.204) 11.348 9.856 ( -3.690 3.064 4.702) 6.717 9.938 ( -3.370 3.901 5.885) 7.823 10.073 ( -4.452 -0.121 2.076) 4.914 10.118 ( -5.588 0.164 -3.329) 6.507 10.152 ( -3.743 0.226 -1.343) 3.983 10.252 ( -1.590 -0.114 -0.981) 1.872 10.329 ( -7.144 -2.572 -2.802) 8.093 10.511 ( -3.951 -1.377 -4.390) 6.065 10.534 ( 1.940 -0.894 -3.678) 4.253 10.654 ( 3.053 5.022 -4.033) 7.127 10.772 ( -0.226 -4.172 0.277) 4.187 10.857 ( 5.315 -1.995 -0.628) 5.712 10.875 ( 2.827 0.554 5.278) 6.013 11.050 ( 5.634 9.329 -0.452) 10.908 11.211 ( 3.031 -5.108 1.474) 6.120 11.263 ( -0.449 5.268 1.829) 5.595 11.326 ( 0.626 6.131 0.476) 6.181 11.366 ( 1.908 -0.670 -3.708) 4.224 11.405 ( -4.157 -2.851 5.110) 7.178 11.521 ( -2.922 0.496 -0.784) 3.066 11.626 ( 0.041 -4.587 -1.151) 4.729 11.675 ( 1.214 -1.988 -1.633) 2.845 11.759 ( -0.328 -7.028 0.452) 7.050 11.901 ( 0.822 -1.547 -0.422) 1.802 11.920 ( 4.891 -0.454 -1.759) 5.218 12.077 ( -6.299 3.097 4.997) 8.616 12.143 ( 2.080 -0.972 6.736) 7.116 12.346 ( 0.556 3.158 -3.339) 4.629 12.410 ( 4.010 -3.354 -0.476) 5.249 12.567 ( 9.277 3.392 -6.657) 11.912 12.634 ( 8.233 -1.812 -2.727) 8.861 12.709 ( 2.227 0.891 0.425) 2.436 12.753 ( 1.356 -1.591 2.758) 3.461 12.840 ( 3.124 6.907 2.917) 8.123 12.932 ( 7.446 -2.212 -5.471) 9.501 12.957 ( 4.542 -3.626 2.135) 6.191 12.990 ( 3.905 -5.333 1.261) 6.728 13.148 ( 9.911 -1.738 1.072) 10.119 13.211 ( 8.595 -5.844 1.073) 10.449 13.244 ( 3.357 2.105 -4.983) 6.367 13.352 ( 9.183 -5.038 -4.130) 11.259 13.736 ( -0.236 -0.164 1.628) 1.653 13.766 ( -0.805 -1.368 -1.402) 2.118 14.002 ( 4.878 9.225 -1.832) 10.595 14.158 ( 6.744 -1.824 -7.235) 10.057 14.273 ( 0.773 -0.523 -3.735) 3.850 14.425 ( -2.935 -8.059 1.862) 8.777 14.652 ( -3.820 0.900 3.780) 5.449 14.693 ( -2.112 -2.353 0.675) 3.233 14.879 ( 5.266 4.426 16.458) 17.838 15.005 ( 7.229 -8.104 13.889) 17.630 15.157 ( -2.394 4.943 -8.893) 10.453 15.182 ( 0.897 2.102 -9.669) 9.935 15.383 ( 4.671 -2.020 -2.896) 5.855 15.456 ( -0.217 -7.553 -6.432) 9.923 15.867 ( -6.954 3.539 3.097) 8.395 15.905 ( -4.008 0.977 5.437) 6.825 16.097 ( -3.009 11.678 -0.694) 12.079 16.217 ( -7.596 -0.668 -2.733) 8.100 16.343 ( -5.176 3.822 4.521) 7.864 16.479 ( -0.289 -9.219 2.004) 9.439 16.961 ( -0.794 3.581 -0.384) 3.688 17.033 ( -1.974 -3.347 0.302) 3.897 17.878 ( -4.647 2.778 1.365) 5.583 17.946 ( -4.631 -3.945 1.386) 6.239 18.268 ( -7.208 2.831 -1.193) 7.835 18.297 ( -6.835 -0.044 -1.039) 6.914 21.140 ( 0.551 3.421 -0.954) 3.594 21.223 ( 0.747 -3.860 1.247) 4.125 21.326 ( 3.587 4.589 -4.651) 7.454 21.477 ( 5.985 -9.844 -2.964) 11.896 22.136 ( 1.029 7.195 -0.602) 7.293 22.267 ( 1.030 -5.860 -0.779) 6.001 22.584 ( 3.642 5.182 2.649) 6.865 22.662 ( 4.181 -2.597 4.105) 6.409 22.990 ( -3.613 6.224 -5.573) 9.102 23.073 ( -2.947 -0.909 -6.913) 7.570 23.376 ( 4.091 7.638 7.418) 11.406 23.520 ( 5.649 -1.715 4.522) 7.436 23.602 ( 1.639 -0.558 6.245) 6.480 23.709 ( 4.915 -7.151 7.027) 11.166 23.912 ( -3.696 1.731 -4.041) 5.744 23.991 ( -2.991 -4.880 -4.789) 7.463 24.516 ( 0.296 0.712 -5.121) 5.179 24.535 ( 0.256 -1.259 -1.761) 2.180 24.793 ( -1.144 5.051 2.281) 5.659 24.801 ( 4.097 0.702 -3.255) 5.280 24.859 ( -1.387 4.438 3.386) 5.752 25.024 ( -11.581 -8.919 1.390) 14.684 26.093 ( -18.259 8.991 1.920) 20.443 26.189 ( -18.885 -0.420 0.739) 18.904 26.872 ( 3.169 0.406 0.439) 3.225 26.886 ( 3.177 -0.880 0.003) 3.296 26.964 ( 3.926 1.338 -0.249) 4.155 27.022 ( 2.636 -3.976 -1.055) 4.886 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.498 3.949 -2.093) 4.497 1.736 ( 0.381 -1.880 -1.289) 2.312 1.883 ( 3.399 3.334 0.277) 4.769 1.929 ( -4.562 -1.883 0.923) 5.021 2.028 ( 5.774 4.458 0.696) 7.327 2.109 ( 3.821 6.068 4.009) 8.216 2.129 ( 3.665 -3.901 -0.704) 5.399 2.234 ( 6.242 -4.779 7.377) 10.781 2.299 ( 0.356 2.299 1.084) 2.567 2.360 ( -3.332 -1.647 -4.318) 5.698 2.475 ( -1.475 2.641 -3.883) 4.922 2.515 ( -3.603 -0.508 -0.859) 3.739 2.570 ( 0.115 2.600 -2.144) 3.372 2.627 ( -0.328 -1.927 -1.018) 2.204 2.667 ( -2.474 1.675 -0.184) 2.993 2.733 ( -0.972 -0.923 -1.581) 2.073 2.740 ( 2.933 0.784 -3.431) 4.581 2.825 ( -4.424 0.140 -1.488) 4.670 2.858 ( 0.168 -5.663 -3.057) 6.438 2.917 ( -3.775 -3.849 2.143) 5.802 3.049 ( 5.161 -2.272 2.003) 5.984 3.061 ( 3.821 -3.420 1.888) 5.465 3.210 ( 1.244 4.058 1.095) 4.384 3.270 ( -0.268 -1.060 1.160) 1.593 3.398 ( 5.049 3.587 0.257) 6.199 3.436 ( 3.773 1.106 0.670) 3.988 3.499 ( 6.345 0.985 2.827) 7.016 3.516 ( 2.538 2.908 -0.180) 3.864 3.565 ( 3.358 2.782 2.865) 5.217 3.644 ( 2.882 -2.154 -2.152) 4.193 3.674 ( -2.473 2.129 -1.994) 3.824 3.723 ( 0.100 -0.147 1.146) 1.160 3.745 ( -4.386 -0.431 0.750) 4.470 3.836 ( -5.194 -5.837 0.052) 7.813 4.029 ( -0.175 5.256 -2.588) 5.861 4.080 ( 5.524 1.889 1.427) 6.010 4.114 ( 1.054 1.411 2.491) 3.051 4.210 ( -0.098 -6.770 -1.379) 6.909 4.277 ( -0.008 7.795 0.955) 7.854 4.444 ( -3.706 -7.433 0.043) 8.306 4.463 ( -0.886 5.907 1.096) 6.073 4.585 ( 1.905 -3.757 0.212) 4.218 4.645 ( -2.520 4.097 -2.489) 5.416 4.732 ( -7.991 -2.899 -4.307) 9.529 4.769 ( 1.629 0.918 -0.511) 1.938 4.855 ( -0.524 -6.012 0.907) 6.102 5.091 ( -4.858 5.311 -3.766) 8.124 5.193 ( -4.155 -4.827 -1.921) 6.653 5.303 ( -0.888 2.061 0.213) 2.255 5.334 ( -0.413 -0.952 1.370) 1.719 5.695 ( 6.341 4.406 5.750) 9.628 5.732 ( 6.367 0.936 5.092) 8.206 5.921 ( 3.339 2.821 -6.573) 7.894 5.982 ( -3.448 -0.667 -2.252) 4.172 6.007 ( 5.189 -1.463 -0.032) 5.392 6.016 ( 0.732 -0.353 2.680) 2.800 6.255 ( -3.439 4.107 0.777) 5.413 6.323 ( -6.403 -2.202 -0.550) 6.793 6.497 ( 2.737 6.294 0.518) 6.883 6.582 ( 3.904 -2.616 1.182) 4.846 6.715 ( 1.037 1.439 -0.228) 1.789 6.762 ( -2.905 -2.828 0.435) 4.077 6.972 ( -7.570 8.593 -0.565) 11.466 7.084 ( -3.791 -3.808 0.277) 5.380 7.241 ( -1.425 12.584 -2.480) 12.905 7.554 ( -3.697 -14.624 -4.798) 15.829 7.690 ( -2.407 10.209 3.295) 10.994 7.882 ( -0.151 -7.594 2.642) 8.042 8.432 ( 1.989 5.379 0.844) 5.797 8.494 ( 3.496 -0.530 2.960) 4.611 8.604 ( 1.008 2.225 -1.743) 3.001 8.649 ( 1.808 -1.606 0.539) 2.478 8.738 ( 2.705 4.316 -2.904) 5.863 8.817 ( 4.324 -1.297 -1.675) 4.815 8.857 ( 4.835 -4.114 0.155) 6.351 8.933 ( 1.668 -3.670 -0.140) 4.033 8.967 ( 0.509 -2.745 -1.438) 3.141 8.984 ( 1.591 -5.324 -0.708) 5.601 9.109 ( -1.691 4.259 0.184) 4.586 9.175 ( -2.552 -3.120 0.720) 4.094 9.402 ( 1.743 -0.347 -2.211) 2.836 9.421 ( 0.922 -0.786 -3.474) 3.679 9.517 ( -3.085 2.982 1.783) 4.646 9.585 ( -6.098 -3.016 1.716) 7.016 9.761 ( -2.878 1.228 2.699) 4.132 9.787 ( -3.566 -0.912 3.706) 5.223 9.940 ( 0.134 6.186 3.343) 7.032 10.001 ( -3.368 6.074 -2.335) 7.328 10.022 ( -2.753 -2.827 -0.388) 3.966 10.055 ( -2.314 1.722 -0.935) 3.033 10.238 ( 0.188 -3.012 1.380) 3.319 10.260 ( 1.353 0.324 -2.936) 3.249 10.359 ( -6.291 3.333 -3.798) 8.069 10.539 ( 1.021 -7.893 -2.486) 8.337 10.684 ( 1.293 5.673 -1.652) 6.048 10.761 ( -0.478 0.523 0.500) 0.867 10.951 ( 2.841 1.646 4.823) 5.835 10.984 ( 2.386 -2.608 4.598) 5.799 11.113 ( 2.301 8.599 -2.385) 9.216 11.172 ( -3.362 -0.141 -3.928) 5.172 11.288 ( -0.812 4.315 5.828) 7.297 11.328 ( -0.638 3.923 -7.446) 8.440 11.391 ( 0.509 -1.646 3.867) 4.233 11.436 ( 3.227 -2.640 -1.242) 4.350 11.498 ( 0.766 2.368 0.966) 2.670 11.625 ( 1.403 -8.455 0.360) 8.579 11.685 ( 0.681 0.947 0.770) 1.398 11.798 ( 2.005 -7.190 0.064) 7.465 11.847 ( -4.178 -4.785 -0.527) 6.375 11.903 ( -1.671 -7.277 -4.073) 8.505 12.076 ( -0.161 10.195 6.620) 12.157 12.251 ( 1.234 -4.606 11.445) 12.399 12.306 ( -0.061 5.111 -3.519) 6.206 12.381 ( -1.539 -2.762 -9.912) 10.404 12.661 ( 2.605 3.176 -2.209) 4.664 12.711 ( -0.047 -0.331 -0.723) 0.797 12.744 ( 2.194 -0.268 -1.064) 2.453 12.779 ( 0.962 -2.758 1.524) 3.295 12.944 ( 3.682 0.366 1.482) 3.986 13.018 ( 2.117 -3.829 -0.664) 4.426 13.045 ( 2.527 0.176 3.103) 4.006 13.125 ( -1.092 -3.868 -2.436) 4.699 13.215 ( 9.798 0.591 0.050) 9.816 13.279 ( 7.753 -6.376 -2.387) 10.318 13.420 ( 1.143 0.785 2.447) 2.813 13.479 ( -1.857 -4.024 -1.696) 4.745 13.728 ( 1.911 4.574 0.399) 4.974 13.792 ( 2.230 -1.602 0.502) 2.791 14.048 ( 0.880 11.682 -1.687) 11.836 14.179 ( 1.019 9.713 -3.156) 10.264 14.333 ( -0.817 -14.006 -0.468) 14.037 14.345 ( 1.613 -5.500 -2.169) 6.128 14.632 ( -0.356 0.166 3.320) 3.343 14.671 ( -0.546 -3.299 0.550) 3.389 14.906 ( -4.919 1.817 1.886) 5.573 14.971 ( -4.461 -3.106 -3.128) 6.272 15.216 ( 1.663 -0.814 3.253) 3.743 15.237 ( 2.637 -1.588 1.273) 3.331 15.477 ( 8.293 4.602 0.254) 9.488 15.596 ( 12.105 -6.010 4.799) 14.342 15.719 ( -7.792 6.202 -3.600) 10.590 15.844 ( -5.575 -5.160 -2.009) 7.857 16.009 ( -4.066 7.313 -0.950) 8.421 16.057 ( -4.716 1.763 0.353) 5.047 16.292 ( -1.907 7.742 2.065) 8.236 16.485 ( -0.012 -10.208 0.605) 10.226 16.945 ( -0.428 2.831 -0.284) 2.877 16.999 ( -1.073 -2.526 -0.025) 2.744 17.815 ( -1.918 2.890 0.664) 3.531 17.884 ( -1.924 -3.846 0.680) 4.354 18.152 ( -3.098 3.317 -0.510) 4.568 18.188 ( -2.887 -0.398 -0.466) 2.951 21.141 ( 0.220 2.789 -0.681) 2.880 21.224 ( -0.114 -5.721 -0.559) 5.749 21.374 ( 1.937 7.400 -0.907) 7.703 21.550 ( 2.272 -10.487 -1.085) 10.785 22.149 ( 0.458 7.310 -0.351) 7.333 22.276 ( 0.362 -5.566 -0.435) 5.595 22.649 ( 1.356 7.328 1.213) 7.550 22.758 ( 2.393 -3.565 3.369) 5.458 22.896 ( -2.302 6.760 -3.626) 8.009 22.991 ( -1.393 -1.158 -2.926) 3.441 23.488 ( 2.516 9.979 3.656) 10.922 23.650 ( 3.859 5.163 0.832) 6.500 23.687 ( 2.420 -4.965 8.111) 9.813 23.796 ( -0.345 -1.858 -7.400) 7.638 23.860 ( -1.400 -7.714 6.999) 10.510 23.898 ( -0.478 -8.928 -3.590) 9.635 24.443 ( -3.001 0.995 -4.406) 5.423 24.468 ( -2.669 -1.600 -2.167) 3.792 24.719 ( -2.898 6.326 2.918) 7.546 24.827 ( -1.883 -4.502 -1.442) 5.089 24.980 ( 6.619 3.437 1.137) 7.545 25.039 ( 7.525 -2.225 1.590) 8.007 25.762 ( -12.470 8.049 0.650) 14.856 25.855 ( -11.521 -1.492 -0.207) 11.619 26.920 ( 1.258 0.010 0.103) 1.262 26.931 ( 1.162 -1.087 -0.074) 1.593 27.022 ( 1.579 1.249 0.006) 2.013 27.064 ( 1.371 -2.824 -0.280) 3.151 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -3.939 0.000 27.918) 28.195 0.579 ( 2.732 0.000 29.371) 29.498 0.951 ( 5.531 0.000 44.088) 44.433 1.696 ( 2.722 0.000 -12.927) 13.210 1.839 ( -1.048 0.000 -4.632) 4.749 1.982 ( -2.576 0.000 -10.693) 10.999 2.116 ( 2.993 0.000 0.995) 3.154 2.135 ( 1.086 0.000 5.231) 5.343 2.212 ( 2.126 0.000 2.106) 2.993 2.312 ( -0.858 0.000 2.188) 2.350 2.332 ( 4.217 0.000 3.775) 5.660 2.439 ( -3.895 0.000 -3.582) 5.291 2.454 ( 0.515 0.000 -0.376) 0.638 2.519 ( 0.704 0.000 -1.682) 1.824 2.623 ( -1.842 0.000 -1.465) 2.353 2.664 ( -5.984 0.000 -4.693) 7.604 2.704 ( 1.272 0.000 0.542) 1.383 2.833 ( 0.347 0.000 -0.303) 0.460 2.866 ( 0.664 0.000 -1.847) 1.963 2.901 ( 1.495 0.000 1.193) 1.913 2.912 ( -1.042 0.000 -2.221) 2.453 3.097 ( -0.273 0.000 2.183) 2.200 3.128 ( -0.776 0.000 1.318) 1.529 3.172 ( -4.185 0.000 13.741) 14.364 3.265 ( 2.370 0.000 0.966) 2.559 3.304 ( -1.955 0.000 2.302) 3.020 3.387 ( 4.625 0.000 -5.056) 6.852 3.473 ( -12.839 0.000 -0.130) 12.839 3.492 ( 1.293 0.000 -11.319) 11.392 3.574 ( 4.662 0.000 0.013) 4.662 3.601 ( -5.019 0.000 1.687) 5.295 3.765 ( -3.673 0.000 2.555) 4.474 3.836 ( 0.272 0.000 -1.934) 1.953 3.857 ( 11.742 0.000 2.610) 12.029 3.945 ( 1.321 0.000 3.363) 3.613 3.971 ( -3.361 0.000 3.146) 4.604 4.190 ( -1.540 0.000 -2.948) 3.326 4.225 ( 5.184 0.000 0.181) 5.187 4.298 ( -0.295 0.000 -7.776) 7.782 4.562 ( -3.879 0.000 -8.262) 9.127 4.634 ( -0.145 0.000 0.910) 0.922 4.787 ( 3.346 0.000 -0.345) 3.364 4.804 ( -9.821 0.000 -1.010) 9.873 4.817 ( 3.078 0.000 0.104) 3.080 4.955 ( 0.496 0.000 1.755) 1.824 5.116 ( 1.472 0.000 6.693) 6.853 5.162 ( -5.662 0.000 -2.657) 6.254 5.183 ( 6.271 0.000 -5.350) 8.243 5.250 ( -0.140 0.000 -4.268) 4.270 5.366 ( -0.566 0.000 -1.899) 1.981 5.395 ( 4.148 0.000 -4.179) 5.888 5.440 ( -1.139 0.000 -4.296) 4.445 5.819 ( -0.365 0.000 6.368) 6.379 5.833 ( -0.469 0.000 4.945) 4.967 5.956 ( 1.984 0.000 8.326) 8.559 6.112 ( 9.523 0.000 2.109) 9.754 6.198 ( -1.664 0.000 4.895) 5.170 6.435 ( 0.929 0.000 -1.693) 1.931 6.640 ( 1.388 0.000 -4.620) 4.824 6.893 ( 4.202 0.000 -8.878) 9.822 6.941 ( 4.335 0.000 -5.180) 6.754 7.178 ( -9.502 0.000 -9.443) 13.396 7.212 ( 0.660 0.000 7.952) 7.980 7.462 ( 5.450 0.000 1.478) 5.647 7.638 ( -6.637 0.000 -0.209) 6.640 7.644 ( 5.267 0.000 0.683) 5.311 7.701 ( -5.961 0.000 2.695) 6.542 7.763 ( -5.118 0.000 1.514) 5.337 7.876 ( -5.980 0.000 1.063) 6.074 7.959 ( -2.126 0.000 -5.392) 5.796 8.426 ( -5.095 0.000 2.586) 5.713 8.513 ( -5.266 0.000 -2.992) 6.057 8.598 ( 14.408 0.000 9.408) 17.207 8.712 ( 0.579 0.000 2.199) 2.274 8.730 ( 0.078 0.000 2.650) 2.651 8.811 ( -14.351 0.000 6.255) 15.654 9.091 ( 9.669 0.000 4.684) 10.744 9.208 ( -1.043 0.000 -0.538) 1.173 9.354 ( 6.505 0.000 2.173) 6.859 9.404 ( 1.420 0.000 2.506) 2.881 9.467 ( 6.368 0.000 -10.199) 12.024 9.546 ( -6.148 0.000 -10.648) 12.296 9.620 ( -25.567 0.000 1.220) 25.596 9.639 ( 0.555 0.000 -6.528) 6.552 9.786 ( -1.950 0.000 2.417) 3.105 9.878 ( -0.349 0.000 1.476) 1.517 9.949 ( -6.258 0.000 1.457) 6.425 10.136 ( -1.909 0.000 6.846) 7.108 10.182 ( 9.423 0.000 5.778) 11.053 10.239 ( 9.330 0.000 1.679) 9.480 10.360 ( 0.157 0.000 0.199) 0.253 10.423 ( -5.484 0.000 -2.442) 6.003 10.494 ( 2.797 0.000 5.723) 6.370 10.552 ( -5.216 0.000 -0.007) 5.216 10.691 ( 19.440 0.000 -6.740) 20.575 10.935 ( 0.732 0.000 -0.627) 0.963 10.936 ( 6.459 0.000 0.773) 6.505 10.954 ( -1.216 0.000 0.591) 1.352 11.031 ( 6.671 0.000 1.071) 6.756 11.032 ( -2.919 0.000 -3.825) 4.812 11.253 ( -7.836 0.000 -3.382) 8.535 11.299 ( -3.043 0.000 3.247) 4.450 11.309 ( 3.451 0.000 8.863) 9.511 11.484 ( -3.643 0.000 -3.322) 4.931 11.548 ( -17.296 0.000 0.108) 17.297 11.636 ( -6.890 0.000 -9.905) 12.066 11.747 ( 13.560 0.000 -4.023) 14.145 11.759 ( 2.466 0.000 -8.006) 8.377 11.839 ( -4.039 0.000 -2.828) 4.931 11.843 ( 3.141 0.000 7.268) 7.918 12.077 ( 1.592 0.000 0.333) 1.626 12.149 ( 0.070 0.000 -3.993) 3.994 12.181 ( 10.039 0.000 5.244) 11.326 12.309 ( -6.252 0.000 2.022) 6.570 12.386 ( -0.528 0.000 -0.462) 0.701 12.393 ( 5.791 0.000 -0.341) 5.801 12.467 ( -0.552 0.000 4.516) 4.550 12.536 ( 10.060 0.000 4.622) 11.071 12.545 ( -3.033 0.000 2.937) 4.222 12.759 ( -3.990 0.000 8.582) 9.464 12.783 ( 4.415 0.000 -5.900) 7.369 12.911 ( -0.016 0.000 2.512) 2.512 12.937 ( -4.020 0.000 -0.671) 4.076 13.118 ( -0.621 0.000 -1.540) 1.661 13.333 ( -3.394 0.000 -8.072) 8.757 13.350 ( -2.160 0.000 4.035) 4.577 13.415 ( 1.487 0.000 -4.101) 4.363 13.664 ( -0.714 0.000 -3.403) 3.477 13.700 ( 1.023 0.000 -10.726) 10.775 13.866 ( -1.484 0.000 1.037) 1.811 14.506 ( 5.904 0.000 -3.203) 6.717 14.649 ( 5.355 0.000 0.546) 5.383 14.732 ( 6.071 0.000 -0.129) 6.072 14.757 ( -5.097 0.000 1.802) 5.406 14.841 ( 7.038 0.000 7.137) 10.023 14.889 ( -7.040 0.000 -0.995) 7.110 15.072 ( -0.303 0.000 -0.385) 0.490 15.106 ( -1.680 0.000 -3.949) 4.291 15.117 ( -4.287 0.000 0.152) 4.289 15.361 ( 4.096 0.000 -7.253) 8.330 15.697 ( -1.889 0.000 5.864) 6.161 15.823 ( -0.275 0.000 0.127) 0.303 16.235 ( -0.951 0.000 5.879) 5.956 16.329 ( -1.152 0.000 2.028) 2.333 16.681 ( -0.310 0.000 2.452) 2.471 16.849 ( 0.399 0.000 -2.191) 2.227 17.174 ( 1.131 0.000 1.329) 1.745 17.357 ( -2.448 0.000 -2.707) 3.650 18.022 ( -2.496 0.000 2.966) 3.877 18.219 ( 0.002 0.000 3.056) 3.056 18.328 ( -0.358 0.000 -4.510) 4.524 18.406 ( 0.817 0.000 -0.738) 1.101 21.008 ( 1.365 0.000 0.364) 1.413 21.067 ( -0.890 0.000 -0.663) 1.110 21.303 ( -13.414 0.000 0.185) 13.415 21.445 ( -2.237 0.000 -3.465) 4.124 21.987 ( -1.261 0.000 4.865) 5.026 22.318 ( 0.363 0.000 -3.518) 3.537 22.400 ( -1.748 0.000 6.094) 6.340 22.675 ( -2.699 0.000 -0.344) 2.720 22.751 ( 1.673 0.000 -2.445) 2.963 22.841 ( 0.068 0.000 -5.303) 5.304 23.275 ( -0.053 0.000 6.889) 6.889 23.297 ( 2.487 0.000 2.480) 3.512 23.643 ( 0.869 0.000 3.170) 3.287 23.717 ( 0.977 0.000 1.283) 1.613 23.997 ( -0.697 0.000 0.451) 0.831 24.096 ( 4.495 0.000 4.227) 6.171 24.444 ( 5.038 0.000 -9.712) 10.941 24.575 ( -6.788 0.000 -6.012) 9.068 24.759 ( 0.627 0.000 3.213) 3.274 25.033 ( -0.671 0.000 -3.711) 3.771 25.389 ( 15.197 0.000 3.973) 15.707 25.653 ( -1.800 0.000 -3.385) 3.834 26.363 ( -0.977 0.000 1.359) 1.674 26.387 ( 25.958 0.000 0.416) 25.961 26.748 ( 0.667 0.000 0.472) 0.818 26.790 ( -0.926 0.000 -0.550) 1.077 26.850 ( -22.310 0.000 0.606) 22.318 26.893 ( 1.728 0.000 -0.411) 1.776 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 16.153 0.000 15.746) 22.558 1.001 ( 18.036 0.000 22.038) 28.477 1.600 ( -3.985 0.000 -7.857) 8.810 1.636 ( 26.045 0.000 15.855) 30.491 1.894 ( 8.207 0.000 -8.019) 11.474 1.916 ( 5.191 0.000 -10.710) 11.902 2.153 ( 0.745 0.000 5.836) 5.883 2.210 ( 0.693 0.000 6.697) 6.733 2.241 ( 3.953 0.000 4.414) 5.925 2.318 ( -3.219 0.000 0.599) 3.275 2.334 ( 1.492 0.000 -5.203) 5.413 2.475 ( 1.919 0.000 7.601) 7.840 2.501 ( -2.494 0.000 1.619) 2.974 2.570 ( 8.712 0.000 -1.452) 8.832 2.621 ( 6.207 0.000 1.341) 6.350 2.622 ( 2.601 0.000 -2.097) 3.341 2.732 ( 2.317 0.000 -1.570) 2.799 2.869 ( 0.004 0.000 -0.835) 0.835 2.885 ( 3.355 0.000 -0.516) 3.394 2.908 ( 2.059 0.000 -1.157) 2.362 2.935 ( -0.145 0.000 -2.149) 2.154 3.082 ( -3.559 0.000 -0.501) 3.594 3.155 ( -1.667 0.000 6.855) 7.055 3.164 ( 1.806 0.000 -0.171) 1.814 3.180 ( -4.688 0.000 -2.602) 5.361 3.354 ( 1.353 0.000 9.653) 9.747 3.420 ( 1.818 0.000 -0.687) 1.943 3.451 ( 6.054 0.000 -6.594) 8.952 3.496 ( -3.659 0.000 -0.168) 3.662 3.528 ( 3.500 0.000 -2.901) 4.546 3.647 ( 2.869 0.000 -1.758) 3.365 3.677 ( -5.635 0.000 4.005) 6.913 3.811 ( -1.066 0.000 -0.696) 1.273 3.969 ( 0.095 0.000 -2.080) 2.082 4.005 ( 1.411 0.000 4.259) 4.487 4.083 ( 4.686 0.000 -2.872) 5.496 4.159 ( 0.967 0.000 -3.844) 3.964 4.215 ( -3.599 0.000 -5.735) 6.771 4.342 ( 0.104 0.000 -3.116) 3.118 4.453 ( -2.003 0.000 -4.397) 4.832 4.623 ( -3.059 0.000 -0.413) 3.087 4.625 ( -0.827 0.000 0.696) 1.081 4.803 ( 1.186 0.000 -3.417) 3.617 4.866 ( 2.010 0.000 -2.752) 3.408 4.925 ( -4.268 0.000 3.395) 5.454 4.970 ( -8.176 0.000 -4.462) 9.315 5.187 ( 1.256 0.000 3.691) 3.899 5.200 ( -2.461 0.000 -5.350) 5.889 5.325 ( -2.470 0.000 -4.119) 4.803 5.354 ( 10.817 0.000 0.290) 10.821 5.428 ( 1.991 0.000 -2.410) 3.126 5.445 ( 0.777 0.000 1.813) 1.973 5.853 ( -0.247 0.000 5.915) 5.920 5.865 ( 1.613 0.000 3.208) 3.591 6.024 ( 0.272 0.000 8.377) 8.382 6.147 ( -1.943 0.000 -5.039) 5.401 6.193 ( -1.305 0.000 3.720) 3.942 6.389 ( -3.848 0.000 -2.201) 4.434 6.580 ( -4.954 0.000 -7.242) 8.775 6.714 ( -15.625 0.000 0.253) 15.627 6.869 ( -4.467 0.000 -7.076) 8.368 6.974 ( -1.078 0.000 -0.401) 1.150 7.164 ( -8.476 0.000 4.959) 9.821 7.178 ( -17.022 0.000 3.406) 17.359 7.569 ( -3.857 0.000 -3.664) 5.320 7.686 ( -13.541 0.000 1.934) 13.678 7.747 ( 9.901 0.000 2.373) 10.182 7.846 ( 9.781 0.000 4.746) 10.872 7.876 ( 7.346 0.000 0.907) 7.402 8.067 ( 9.385 0.000 2.526) 9.719 8.373 ( -2.975 0.000 -8.206) 8.729 8.453 ( 3.660 0.000 5.376) 6.504 8.577 ( -5.268 0.000 -0.531) 5.295 8.719 ( 3.355 0.000 3.593) 4.915 8.831 ( 8.115 0.000 0.490) 8.130 8.899 ( 3.100 0.000 14.918) 15.236 9.123 ( -6.352 0.000 -7.642) 9.938 9.199 ( -6.416 0.000 6.209) 8.929 9.275 ( 4.922 0.000 5.164) 7.134 9.310 ( -7.182 0.000 -5.823) 9.245 9.434 ( -3.393 0.000 -2.219) 4.054 9.496 ( 5.409 0.000 -3.897) 6.666 9.570 ( -1.783 0.000 1.322) 2.220 9.639 ( -0.991 0.000 1.979) 2.213 9.743 ( -5.926 0.000 0.346) 5.936 9.789 ( -4.265 0.000 -2.968) 5.196 9.972 ( 2.329 0.000 6.499) 6.904 10.202 ( 4.102 0.000 3.928) 5.680 10.279 ( -5.466 0.000 0.840) 5.530 10.336 ( -3.680 0.000 0.280) 3.690 10.380 ( -1.207 0.000 1.217) 1.714 10.432 ( 9.237 0.000 3.915) 10.033 10.493 ( 1.479 0.000 -3.375) 3.685 10.510 ( -5.544 0.000 2.399) 6.041 10.659 ( -8.802 0.000 0.494) 8.816 10.706 ( -15.658 0.000 -4.765) 16.367 10.858 ( -5.157 0.000 3.557) 6.265 10.893 ( 2.380 0.000 -6.386) 6.815 11.061 ( 4.353 0.000 3.006) 5.290 11.068 ( -1.581 0.000 -9.640) 9.769 11.216 ( -2.955 0.000 1.156) 3.173 11.326 ( -4.739 0.000 2.103) 5.184 11.347 ( 4.727 0.000 5.271) 7.080 11.394 ( -3.390 0.000 -9.643) 10.222 11.521 ( 9.394 0.000 5.612) 10.943 11.547 ( 5.882 0.000 -3.121) 6.659 11.693 ( 2.111 0.000 -5.106) 5.525 11.821 ( -2.013 0.000 -0.356) 2.044 11.905 ( -0.868 0.000 -0.618) 1.065 11.959 ( 2.687 0.000 6.402) 6.943 12.113 ( 2.002 0.000 -5.907) 6.237 12.149 ( 4.382 0.000 -6.658) 7.970 12.264 ( -4.742 0.000 7.932) 9.241 12.332 ( 1.143 0.000 -4.543) 4.684 12.417 ( 11.722 0.000 3.503) 12.234 12.528 ( 9.175 0.000 2.044) 9.400 12.637 ( 9.449 0.000 1.144) 9.518 12.740 ( -1.030 0.000 -0.269) 1.064 12.760 ( 0.684 0.000 6.269) 6.306 12.896 ( 10.661 0.000 6.577) 12.526 12.899 ( 5.973 0.000 -13.484) 14.748 12.967 ( 5.600 0.000 6.459) 8.549 13.053 ( 8.613 0.000 -7.042) 11.126 13.200 ( 12.013 0.000 0.288) 12.017 13.375 ( 1.477 0.000 2.841) 3.202 13.420 ( 22.101 0.000 -20.731) 30.302 13.444 ( 5.975 0.000 -4.839) 7.689 13.645 ( 0.355 0.000 -1.562) 1.602 13.657 ( 2.701 0.000 -11.218) 11.538 13.854 ( 1.375 0.000 -1.775) 2.245 14.549 ( -1.604 0.000 -2.436) 2.917 14.643 ( -8.693 0.000 -5.272) 10.167 14.649 ( -3.573 0.000 2.419) 4.314 14.849 ( 7.870 0.000 -7.868) 11.128 14.918 ( 10.346 0.000 -2.768) 10.710 14.921 ( -1.929 0.000 8.957) 9.162 15.058 ( -1.699 0.000 0.029) 1.699 15.082 ( 1.651 0.000 -1.364) 2.142 15.194 ( 9.498 0.000 -2.850) 9.916 15.385 ( 4.059 0.000 -6.218) 7.426 15.698 ( -2.175 0.000 7.008) 7.338 15.785 ( -3.222 0.000 -0.264) 3.233 16.210 ( -5.199 0.000 5.416) 7.507 16.243 ( -8.168 0.000 2.280) 8.480 16.696 ( 0.148 0.000 2.417) 2.421 16.844 ( 0.466 0.000 -2.192) 2.241 17.021 ( -22.693 0.000 9.877) 24.749 17.169 ( -2.567 0.000 1.492) 2.969 17.973 ( -4.867 0.000 4.314) 6.504 18.192 ( -4.441 0.000 3.408) 5.598 18.242 ( -5.039 0.000 -4.362) 6.665 18.355 ( -4.549 0.000 -1.843) 4.908 21.054 ( 0.422 0.000 -1.523) 1.580 21.072 ( 3.927 0.000 0.915) 4.032 21.406 ( 0.661 0.000 -3.150) 3.218 21.428 ( 14.491 0.000 -5.553) 15.518 21.987 ( -1.891 0.000 4.973) 5.321 22.294 ( -0.175 0.000 -3.280) 3.285 22.429 ( -0.127 0.000 6.633) 6.635 22.640 ( 0.103 0.000 -1.083) 1.088 22.781 ( 3.141 0.000 -3.931) 5.031 22.850 ( 2.660 0.000 -2.700) 3.790 23.286 ( -2.352 0.000 5.073) 5.591 23.371 ( 3.094 0.000 2.454) 3.949 23.689 ( 1.862 0.000 3.267) 3.761 23.778 ( 3.782 0.000 1.505) 4.071 24.015 ( 1.938 0.000 0.099) 1.940 24.284 ( 9.146 0.000 9.037) 12.857 24.378 ( -6.070 0.000 -11.351) 12.872 24.435 ( 1.839 0.000 -10.058) 10.225 24.772 ( -1.543 0.000 4.102) 4.383 24.943 ( -5.449 0.000 -4.789) 7.255 25.193 ( -22.477 0.000 19.851) 29.988 25.481 ( -10.582 0.000 -5.608) 11.976 26.207 ( -21.479 0.000 10.849) 24.063 26.265 ( -9.103 0.000 -1.812) 9.281 26.802 ( 3.105 0.000 -0.678) 3.178 26.808 ( 3.674 0.000 1.388) 3.928 26.930 ( 11.257 0.000 -6.558) 13.028 26.956 ( 3.111 0.000 1.113) 3.304 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 22.898 0.000 5.272) 23.497 1.402 ( 7.095 0.000 1.181) 7.192 1.628 ( 13.487 0.000 11.758) 17.893 1.846 ( 4.829 0.000 -9.901) 11.016 1.941 ( 2.065 0.000 -6.397) 6.722 2.089 ( 9.159 0.000 -6.442) 11.198 2.189 ( -5.397 0.000 1.066) 5.502 2.225 ( 2.705 0.000 0.122) 2.707 2.274 ( -3.870 0.000 4.094) 5.634 2.366 ( -6.618 0.000 11.722) 13.461 2.399 ( 5.799 0.000 0.798) 5.854 2.458 ( -0.553 0.000 2.971) 3.022 2.592 ( 2.462 0.000 -0.083) 2.464 2.661 ( -1.370 0.000 -3.700) 3.945 2.684 ( 3.253 0.000 -0.822) 3.355 2.785 ( 1.849 0.000 -2.330) 2.974 2.806 ( 5.770 0.000 3.121) 6.560 2.857 ( -0.057 0.000 -0.322) 0.326 2.899 ( 9.614 0.000 -4.091) 10.449 2.899 ( 0.619 0.000 0.247) 0.667 3.006 ( 5.073 0.000 2.098) 5.489 3.092 ( 5.527 0.000 4.354) 7.036 3.126 ( 5.118 0.000 0.159) 5.121 3.234 ( 1.263 0.000 9.356) 9.441 3.291 ( 7.029 0.000 -4.249) 8.213 3.308 ( -3.029 0.000 -0.577) 3.083 3.408 ( -1.022 0.000 3.502) 3.648 3.494 ( -5.651 0.000 5.166) 7.656 3.539 ( 2.189 0.000 1.702) 2.773 3.571 ( 6.640 0.000 -10.848) 12.719 3.665 ( 2.345 0.000 -3.112) 3.897 3.682 ( 3.485 0.000 7.123) 7.930 3.759 ( -2.533 0.000 -8.670) 9.032 3.948 ( -1.445 0.000 1.717) 2.245 3.977 ( -9.477 0.000 5.628) 11.022 4.035 ( -2.485 0.000 2.487) 3.516 4.083 ( -5.998 0.000 0.141) 6.000 4.192 ( 4.794 0.000 -6.225) 7.857 4.274 ( 0.746 0.000 -4.153) 4.220 4.432 ( 0.491 0.000 0.483) 0.688 4.516 ( -9.368 0.000 -2.438) 9.680 4.615 ( -1.219 0.000 3.549) 3.753 4.789 ( -4.506 0.000 -3.776) 5.878 4.802 ( -8.596 0.000 -1.034) 8.658 4.866 ( 4.430 0.000 -5.906) 7.383 4.934 ( 0.550 0.000 2.530) 2.589 5.125 ( -0.577 0.000 -5.209) 5.241 5.181 ( -2.884 0.000 -1.074) 3.077 5.247 ( 1.260 0.000 -4.856) 5.017 5.444 ( -0.110 0.000 -2.357) 2.359 5.449 ( -1.745 0.000 3.863) 4.238 5.547 ( 6.714 0.000 1.929) 6.986 5.901 ( -0.116 0.000 -0.336) 0.355 5.916 ( 2.714 0.000 8.099) 8.542 6.046 ( -3.850 0.000 4.226) 5.716 6.082 ( 0.913 0.000 -7.060) 7.118 6.286 ( -6.719 0.000 0.756) 6.762 6.288 ( 9.209 0.000 4.205) 10.124 6.351 ( -11.133 0.000 -9.468) 14.615 6.551 ( 2.376 0.000 -0.795) 2.505 6.784 ( -3.866 0.000 1.379) 4.105 6.814 ( -14.104 0.000 -1.130) 14.149 6.962 ( -7.530 0.000 3.359) 8.245 7.054 ( -1.482 0.000 -1.158) 1.880 7.399 ( -14.136 0.000 2.252) 14.314 7.456 ( -4.188 0.000 -3.809) 5.661 7.856 ( -4.907 0.000 -1.037) 5.015 7.989 ( 2.557 0.000 2.321) 3.453 8.126 ( 16.646 0.000 8.972) 18.910 8.223 ( 3.782 0.000 3.571) 5.201 8.439 ( 11.966 0.000 -0.592) 11.981 8.584 ( 5.568 0.000 0.568) 5.597 8.636 ( 11.328 0.000 -8.716) 14.294 8.843 ( 5.662 0.000 3.416) 6.613 8.875 ( -6.880 0.000 -7.908) 10.482 9.041 ( 2.076 0.000 14.161) 14.313 9.042 ( 7.515 0.000 0.680) 7.545 9.162 ( -6.525 0.000 0.649) 6.557 9.177 ( 0.265 0.000 5.228) 5.235 9.311 ( -3.842 0.000 -2.930) 4.832 9.338 ( -0.354 0.000 -1.341) 1.387 9.547 ( -0.487 0.000 -0.152) 0.510 9.554 ( -7.700 0.000 -0.347) 7.708 9.560 ( -3.456 0.000 2.383) 4.198 9.646 ( -0.057 0.000 1.587) 1.588 9.704 ( -2.926 0.000 0.544) 2.976 10.025 ( -3.238 0.000 6.021) 6.836 10.119 ( -8.889 0.000 5.850) 10.642 10.224 ( -5.794 0.000 -3.379) 6.707 10.285 ( -6.249 0.000 -2.569) 6.756 10.331 ( 1.286 0.000 1.724) 2.151 10.335 ( -7.931 0.000 -2.113) 8.208 10.424 ( -7.748 0.000 3.924) 8.685 10.457 ( -2.618 0.000 2.806) 3.838 10.499 ( -4.425 0.000 -11.067) 11.919 10.595 ( 3.071 0.000 1.517) 3.425 10.868 ( 0.954 0.000 9.217) 9.266 10.925 ( 0.852 0.000 -0.268) 0.893 11.034 ( 5.015 0.000 -9.297) 10.564 11.107 ( -2.629 0.000 -2.275) 3.477 11.244 ( 5.747 0.000 0.285) 5.754 11.290 ( 2.072 0.000 -0.999) 2.300 11.310 ( 0.284 0.000 -5.061) 5.069 11.477 ( 3.033 0.000 6.408) 7.090 11.612 ( 3.839 0.000 -9.367) 10.123 11.632 ( -2.030 0.000 4.573) 5.003 11.739 ( 1.144 0.000 0.899) 1.455 11.852 ( -0.947 0.000 -1.684) 1.932 11.857 ( 3.422 0.000 4.200) 5.418 12.005 ( 2.407 0.000 -5.780) 6.261 12.119 ( 1.670 0.000 -6.179) 6.401 12.179 ( 1.351 0.000 -7.633) 7.751 12.201 ( -4.326 0.000 11.635) 12.413 12.452 ( 10.938 0.000 -2.320) 11.181 12.631 ( 5.059 0.000 0.656) 5.101 12.638 ( -4.293 0.000 -1.326) 4.493 12.722 ( 6.187 0.000 4.907) 7.897 12.848 ( 8.128 0.000 5.081) 9.585 12.863 ( 4.779 0.000 2.938) 5.610 12.889 ( 4.121 0.000 -6.812) 7.961 13.041 ( 7.997 0.000 2.513) 8.383 13.154 ( 6.256 0.000 6.871) 9.292 13.233 ( 10.553 0.000 2.561) 10.859 13.430 ( 3.192 0.000 0.287) 3.204 13.471 ( 0.325 0.000 -5.869) 5.878 13.515 ( 0.789 0.000 -8.346) 8.383 13.518 ( 4.665 0.000 2.082) 5.109 13.682 ( 8.507 0.000 3.192) 9.086 13.750 ( 7.786 0.000 -8.210) 11.315 13.869 ( 0.954 0.000 -8.872) 8.924 14.424 ( -8.076 0.000 -0.919) 8.128 14.449 ( -1.652 0.000 -16.406) 16.489 14.692 ( 4.797 0.000 4.580) 6.632 14.934 ( 9.858 0.000 -17.127) 19.762 14.962 ( 0.633 0.000 3.679) 3.733 14.979 ( -1.848 0.000 -2.489) 3.100 15.023 ( -1.094 0.000 1.598) 1.937 15.182 ( 5.022 0.000 4.851) 6.983 15.307 ( 2.907 0.000 -3.507) 4.555 15.517 ( 11.330 0.000 -0.837) 11.360 15.696 ( -1.990 0.000 5.554) 5.900 15.714 ( -3.040 0.000 0.052) 3.040 16.072 ( -9.496 0.000 3.642) 10.170 16.103 ( -8.175 0.000 4.173) 9.179 16.652 ( -16.717 0.000 10.131) 19.547 16.732 ( -1.947 0.000 2.150) 2.901 16.841 ( 0.623 0.000 -1.739) 1.847 17.102 ( -3.881 0.000 -0.619) 3.930 17.885 ( -5.989 0.000 3.764) 7.074 18.093 ( -6.311 0.000 -3.850) 7.393 18.104 ( -5.825 0.000 3.069) 6.584 18.231 ( -5.326 0.000 -2.485) 5.877 21.067 ( 1.753 0.000 -1.534) 2.329 21.153 ( 3.409 0.000 -0.004) 3.409 21.433 ( 2.401 0.000 1.536) 2.850 21.667 ( 12.443 0.000 -4.855) 13.357 21.977 ( -2.232 0.000 4.746) 5.244 22.278 ( 0.615 0.000 -2.985) 3.048 22.461 ( -1.055 0.000 7.045) 7.123 22.667 ( 2.211 0.000 0.780) 2.345 22.822 ( 3.176 0.000 -3.965) 5.080 22.880 ( 1.116 0.000 -0.646) 1.289 23.261 ( -2.202 0.000 2.119) 3.056 23.439 ( 2.080 0.000 0.610) 2.168 23.767 ( 3.624 0.000 2.608) 4.465 23.863 ( 3.957 0.000 -1.477) 4.223 24.060 ( 3.201 0.000 -2.537) 4.084 24.194 ( -4.253 0.000 -12.133) 12.857 24.432 ( 3.902 0.000 -8.468) 9.324 24.540 ( 7.837 0.000 10.867) 13.398 24.751 ( -4.693 0.000 7.907) 9.195 24.766 ( -7.545 0.000 -5.104) 9.109 24.962 ( -10.536 0.000 14.586) 17.994 25.240 ( -7.694 0.000 -6.373) 9.991 25.856 ( -20.222 0.000 8.729) 22.025 26.002 ( -13.410 0.000 -4.637) 14.189 26.883 ( 4.496 0.000 -0.771) 4.561 26.892 ( 3.337 0.000 1.190) 3.543 27.013 ( 1.599 0.000 1.620) 2.276 27.058 ( 5.504 0.000 -3.542) 6.545 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 6.065 0.000 4.872) 7.779 1.749 ( 16.766 0.000 -2.664) 16.976 1.876 ( 2.087 0.000 0.368) 2.119 1.957 ( 4.922 0.000 3.092) 5.812 2.025 ( -2.730 0.000 0.614) 2.798 2.050 ( 0.700 0.000 6.918) 6.954 2.138 ( -7.531 0.000 0.959) 7.591 2.180 ( 0.264 0.000 1.545) 1.567 2.231 ( 3.861 0.000 2.351) 4.521 2.374 ( 7.268 0.000 -5.652) 9.207 2.382 ( -17.366 0.000 -3.585) 17.732 2.468 ( -0.175 0.000 6.982) 6.984 2.523 ( 3.581 0.000 3.741) 5.179 2.576 ( -1.621 0.000 -2.553) 3.024 2.691 ( 2.332 0.000 -2.175) 3.189 2.850 ( 3.312 0.000 -2.843) 4.365 2.897 ( 2.308 0.000 0.316) 2.330 2.918 ( -0.185 0.000 0.518) 0.550 2.954 ( 2.161 0.000 1.346) 2.546 3.012 ( 1.508 0.000 -1.015) 1.818 3.116 ( 6.743 0.000 -4.552) 8.136 3.144 ( 0.642 0.000 5.077) 5.117 3.251 ( -10.588 0.000 -1.666) 10.718 3.275 ( 4.218 0.000 -2.023) 4.678 3.321 ( 2.370 0.000 -1.587) 2.852 3.363 ( 5.154 0.000 9.307) 10.639 3.391 ( 0.426 0.000 5.896) 5.911 3.497 ( -2.757 0.000 8.992) 9.405 3.518 ( -6.069 0.000 -3.124) 6.826 3.621 ( 5.506 0.000 -7.255) 9.108 3.687 ( 4.500 0.000 -6.499) 7.904 3.767 ( 1.176 0.000 -0.445) 1.258 3.780 ( 8.830 0.000 -5.550) 10.429 3.847 ( -9.237 0.000 5.921) 10.971 3.872 ( -4.380 0.000 -1.207) 4.543 4.025 ( -3.136 0.000 5.463) 6.299 4.055 ( 0.618 0.000 1.520) 1.641 4.257 ( -5.338 0.000 4.399) 6.917 4.269 ( 6.170 0.000 -8.390) 10.414 4.385 ( 3.708 0.000 4.575) 5.889 4.396 ( -3.675 0.000 -3.029) 4.762 4.606 ( -6.366 0.000 2.847) 6.974 4.649 ( -0.498 0.000 6.125) 6.145 4.718 ( -0.112 0.000 2.237) 2.240 4.897 ( 4.813 0.000 -7.419) 8.844 4.922 ( -1.654 0.000 1.460) 2.206 5.094 ( 1.004 0.000 -4.532) 4.642 5.108 ( -1.451 0.000 -2.660) 3.030 5.344 ( 3.700 0.000 -0.878) 3.803 5.403 ( -5.237 0.000 -2.400) 5.761 5.408 ( 1.744 0.000 -2.033) 2.678 5.631 ( 0.702 0.000 -0.346) 0.783 5.868 ( -1.167 0.000 -0.957) 1.509 5.973 ( -5.925 0.000 -3.543) 6.903 6.010 ( -2.442 0.000 3.110) 3.954 6.090 ( 0.124 0.000 -5.480) 5.481 6.150 ( 2.438 0.000 -1.248) 2.739 6.176 ( 0.720 0.000 0.196) 0.746 6.383 ( -4.074 0.000 5.447) 6.801 6.649 ( 0.634 0.000 2.820) 2.891 6.656 ( 0.366 0.000 -1.197) 1.251 6.715 ( -1.587 0.000 2.840) 3.253 6.903 ( -0.219 0.000 2.329) 2.339 7.030 ( -0.341 0.000 -6.169) 6.179 7.194 ( -5.306 0.000 -0.339) 5.317 7.368 ( -1.291 0.000 -6.087) 6.222 7.785 ( 0.943 0.000 -0.183) 0.960 8.000 ( -2.968 0.000 1.443) 3.300 8.271 ( -0.728 0.000 3.102) 3.186 8.443 ( 4.757 0.000 4.832) 6.780 8.654 ( 5.654 0.000 -0.150) 5.656 8.660 ( 3.121 0.000 -1.223) 3.352 8.717 ( 6.373 0.000 -1.311) 6.507 8.906 ( 9.976 0.000 -7.008) 12.192 8.938 ( 0.605 0.000 2.640) 2.708 8.995 ( -4.873 0.000 5.727) 7.519 9.091 ( -7.054 0.000 0.676) 7.086 9.201 ( -0.741 0.000 2.562) 2.667 9.215 ( 3.599 0.000 2.420) 4.337 9.312 ( 3.929 0.000 3.272) 5.113 9.327 ( 2.656 0.000 3.824) 4.656 9.443 ( -3.243 0.000 0.797) 3.339 9.483 ( -4.847 0.000 2.978) 5.689 9.524 ( -1.632 0.000 -0.245) 1.650 9.656 ( -1.949 0.000 2.085) 2.854 9.684 ( 1.562 0.000 3.268) 3.622 9.906 ( -8.873 0.000 3.351) 9.485 10.017 ( -2.412 0.000 1.327) 2.753 10.071 ( -3.478 0.000 -8.652) 9.325 10.121 ( -6.951 0.000 0.810) 6.998 10.299 ( 0.942 0.000 6.004) 6.077 10.326 ( -0.054 0.000 -0.059) 0.080 10.396 ( -0.854 0.000 -4.585) 4.664 10.403 ( -0.400 0.000 8.393) 8.403 10.484 ( 3.592 0.000 0.977) 3.722 10.637 ( 1.490 0.000 -0.178) 1.500 10.832 ( -9.061 0.000 1.939) 9.266 10.895 ( -4.050 0.000 2.131) 4.576 11.088 ( 5.513 0.000 -10.017) 11.434 11.107 ( 3.101 0.000 0.044) 3.101 11.235 ( 0.392 0.000 -5.818) 5.831 11.369 ( 0.542 0.000 1.986) 2.059 11.369 ( 5.517 0.000 -3.205) 6.380 11.520 ( -1.924 0.000 4.978) 5.337 11.625 ( -2.197 0.000 2.349) 3.217 11.643 ( 5.101 0.000 -7.039) 8.693 11.735 ( 0.515 0.000 -2.925) 2.970 11.843 ( 0.236 0.000 -2.712) 2.722 11.891 ( -4.175 0.000 3.214) 5.269 11.990 ( 4.170 0.000 -13.720) 14.340 12.059 ( -2.489 0.000 -1.610) 2.964 12.142 ( 1.572 0.000 -5.074) 5.312 12.294 ( 2.528 0.000 13.142) 13.382 12.524 ( 0.108 0.000 -0.199) 0.226 12.646 ( -2.575 0.000 -0.998) 2.762 12.697 ( 7.505 0.000 -1.710) 7.697 12.824 ( 0.374 0.000 6.541) 6.551 12.948 ( -0.019 0.000 7.382) 7.382 12.952 ( 2.354 0.000 4.685) 5.243 13.089 ( 8.148 0.000 3.799) 8.990 13.240 ( 7.417 0.000 -0.058) 7.417 13.287 ( 2.404 0.000 4.226) 4.862 13.330 ( -2.016 0.000 -5.181) 5.560 13.410 ( -5.952 0.000 -3.630) 6.972 13.425 ( 1.367 0.000 -1.842) 2.293 13.526 ( 3.791 0.000 0.214) 3.797 13.585 ( 9.892 0.000 -1.669) 10.032 13.711 ( -8.024 0.000 -4.304) 9.105 13.859 ( 5.806 0.000 -2.035) 6.153 13.864 ( 1.841 0.000 0.960) 2.076 14.265 ( -5.696 0.000 -0.322) 5.705 14.371 ( 5.300 0.000 -23.726) 24.311 14.756 ( -3.566 0.000 -0.874) 3.671 14.915 ( -1.293 0.000 -2.396) 2.722 14.932 ( -1.959 0.000 -2.888) 3.490 15.032 ( 10.851 0.000 -18.494) 21.442 15.127 ( 5.324 0.000 9.986) 11.317 15.300 ( 2.183 0.000 7.808) 8.107 15.311 ( 1.699 0.000 -0.689) 1.834 15.679 ( -0.374 0.000 1.544) 1.589 15.684 ( -0.258 0.000 4.759) 4.766 15.768 ( 9.049 0.000 0.907) 9.094 15.938 ( -6.167 0.000 3.120) 6.911 15.959 ( -6.629 0.000 1.883) 6.891 16.385 ( -14.441 0.000 11.388) 18.391 16.738 ( -0.250 0.000 1.182) 1.209 16.848 ( 0.854 0.000 -1.072) 1.370 17.030 ( -1.594 0.000 -2.634) 3.079 17.800 ( -3.860 0.000 2.059) 4.375 17.975 ( -2.091 0.000 -3.522) 4.096 18.022 ( -3.488 0.000 2.502) 4.293 18.144 ( -1.405 0.000 -1.933) 2.390 21.098 ( 1.762 0.000 -0.561) 1.849 21.195 ( 0.950 0.000 -1.456) 1.739 21.509 ( 1.940 0.000 7.093) 7.353 21.866 ( 8.679 0.000 0.060) 8.679 21.965 ( -1.352 0.000 3.934) 4.160 22.274 ( 0.769 0.000 -3.206) 3.297 22.488 ( -1.246 0.000 9.024) 9.109 22.716 ( 1.165 0.000 2.570) 2.822 22.841 ( 0.895 0.000 -3.479) 3.593 22.905 ( 1.687 0.000 1.433) 2.214 23.222 ( -2.223 0.000 -0.980) 2.429 23.446 ( -0.503 0.000 -3.307) 3.345 23.812 ( -0.999 0.000 -2.447) 2.643 23.887 ( 1.807 0.000 -12.657) 12.786 24.055 ( -3.460 0.000 -6.271) 7.162 24.139 ( 7.753 0.000 -4.408) 8.918 24.468 ( 2.975 0.000 -3.024) 4.242 24.497 ( -10.423 0.000 0.862) 10.459 24.680 ( -8.412 0.000 14.462) 16.730 24.794 ( 4.125 0.000 4.974) 6.462 24.990 ( 7.825 0.000 -0.094) 7.826 25.128 ( -0.076 0.000 -3.947) 3.948 25.514 ( -18.335 0.000 7.989) 20.000 25.756 ( -4.996 0.000 -4.863) 6.972 26.942 ( 0.844 0.000 0.583) 1.025 26.953 ( 2.744 0.000 -0.700) 2.832 27.036 ( -0.473 0.000 1.559) 1.629 27.121 ( 2.564 0.000 -1.729) 3.093 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -7.993 0.000 4.303) 9.078 1.661 ( -18.608 0.000 -0.044) 18.608 1.758 ( -12.118 0.000 3.204) 12.535 2.033 ( -8.188 0.000 -8.007) 11.452 2.047 ( 1.365 0.000 6.572) 6.712 2.048 ( 6.116 0.000 -0.377) 6.128 2.098 ( 3.726 0.000 3.492) 5.106 2.198 ( 0.285 0.000 1.345) 1.375 2.199 ( 6.273 0.000 2.443) 6.732 2.425 ( 3.905 0.000 2.123) 4.445 2.471 ( 0.132 0.000 -1.646) 1.651 2.537 ( 0.441 0.000 10.158) 10.168 2.567 ( 5.114 0.000 -4.055) 6.527 2.650 ( 8.453 0.000 6.889) 10.905 2.731 ( 1.725 0.000 -0.524) 1.803 2.842 ( -1.220 0.000 -1.985) 2.330 2.849 ( -0.193 0.000 -2.025) 2.034 2.928 ( -5.143 0.000 -0.147) 5.145 2.954 ( 1.596 0.000 0.116) 1.600 2.981 ( -12.120 0.000 -4.812) 13.040 3.023 ( -16.071 0.000 -3.174) 16.381 3.116 ( 3.004 0.000 1.247) 3.253 3.188 ( -3.974 0.000 -1.306) 4.183 3.239 ( -3.589 0.000 -0.600) 3.639 3.298 ( -2.637 0.000 -3.333) 4.250 3.354 ( -9.124 0.000 4.926) 10.369 3.459 ( -1.302 0.000 4.672) 4.850 3.480 ( 3.948 0.000 8.900) 9.736 3.492 ( 4.790 0.000 -6.196) 7.832 3.620 ( -1.537 0.000 -8.965) 9.096 3.644 ( -5.676 0.000 0.781) 5.729 3.749 ( -3.219 0.000 -0.666) 3.287 3.791 ( 2.119 0.000 6.176) 6.529 3.825 ( 4.388 0.000 1.529) 4.647 3.954 ( 7.062 0.000 -2.529) 7.501 3.991 ( 1.428 0.000 2.315) 2.720 4.018 ( 0.375 0.000 1.243) 1.298 4.172 ( -5.437 0.000 -9.280) 10.756 4.410 ( -0.927 0.000 2.629) 2.788 4.415 ( 2.918 0.000 2.192) 3.649 4.416 ( 9.642 0.000 4.484) 10.633 4.657 ( 2.300 0.000 0.376) 2.330 4.735 ( 9.307 0.000 7.147) 11.735 4.745 ( -1.552 0.000 2.622) 3.047 4.977 ( 6.381 0.000 -2.843) 6.986 4.985 ( 5.417 0.000 1.968) 5.763 5.111 ( 1.293 0.000 -1.924) 2.319 5.112 ( 3.031 0.000 -2.969) 4.243 5.206 ( -8.546 0.000 -6.016) 10.451 5.333 ( 1.138 0.000 0.700) 1.336 5.473 ( -0.059 0.000 0.048) 0.076 5.519 ( -9.249 0.000 -6.541) 11.328 5.814 ( -4.314 0.000 -4.541) 6.264 5.865 ( 1.849 0.000 -2.141) 2.829 5.953 ( -1.820 0.000 -0.291) 1.843 6.115 ( 6.994 0.000 -0.585) 7.019 6.218 ( 0.869 0.000 -1.972) 2.156 6.262 ( 4.106 0.000 -0.132) 4.108 6.491 ( 7.282 0.000 9.131) 11.679 6.546 ( -6.417 0.000 -0.747) 6.461 6.719 ( 5.519 0.000 3.624) 6.603 6.744 ( 2.020 0.000 -0.816) 2.179 6.912 ( -1.870 0.000 2.826) 3.389 6.974 ( 0.545 0.000 -5.063) 5.092 7.139 ( -1.006 0.000 -3.193) 3.348 7.336 ( 3.219 0.000 -6.707) 7.440 7.905 ( 7.659 0.000 4.848) 9.064 7.912 ( -3.376 0.000 -3.130) 4.604 8.267 ( -1.329 0.000 3.323) 3.579 8.377 ( -8.683 0.000 1.156) 8.759 8.655 ( -5.791 0.000 -0.217) 5.795 8.695 ( -0.613 0.000 -0.437) 0.753 8.847 ( -11.899 0.000 -5.300) 13.026 8.882 ( -6.298 0.000 -0.313) 6.306 8.885 ( 4.038 0.000 2.055) 4.531 8.981 ( 7.798 0.000 7.038) 10.505 9.124 ( 4.410 0.000 3.287) 5.500 9.214 ( -0.742 0.000 4.492) 4.553 9.298 ( 4.266 0.000 3.526) 5.535 9.334 ( -3.962 0.000 -2.459) 4.663 9.397 ( -5.459 0.000 8.073) 9.746 9.415 ( 1.947 0.000 1.413) 2.406 9.472 ( 4.145 0.000 4.854) 6.383 9.486 ( -0.274 0.000 -3.131) 3.143 9.694 ( 2.926 0.000 -0.968) 3.082 9.713 ( -2.093 0.000 5.992) 6.347 9.802 ( -1.418 0.000 4.356) 4.581 10.006 ( 1.880 0.000 -8.487) 8.693 10.046 ( 7.294 0.000 -8.088) 10.891 10.109 ( 2.049 0.000 8.281) 8.530 10.322 ( -4.372 0.000 4.965) 6.616 10.349 ( 1.846 0.000 0.278) 1.866 10.390 ( 2.956 0.000 -4.232) 5.162 10.464 ( 0.602 0.000 10.931) 10.948 10.610 ( 6.414 0.000 4.570) 7.876 10.647 ( -1.970 0.000 2.089) 2.871 10.708 ( 0.124 0.000 -2.736) 2.739 10.829 ( -1.327 0.000 -0.346) 1.372 11.081 ( -0.294 0.000 -9.899) 9.903 11.125 ( 4.447 0.000 -8.417) 9.520 11.290 ( -1.107 0.000 4.122) 4.268 11.353 ( 1.558 0.000 0.097) 1.561 11.377 ( -4.232 0.000 -4.810) 6.407 11.491 ( -2.982 0.000 2.391) 3.822 11.524 ( -5.077 0.000 1.373) 5.260 11.679 ( 1.290 0.000 -2.318) 2.652 11.730 ( -8.001 0.000 -4.071) 8.977 11.759 ( 4.638 0.000 -6.181) 7.727 11.842 ( 1.863 0.000 -1.758) 2.562 12.030 ( -0.790 0.000 1.370) 1.581 12.099 ( 10.727 0.000 -8.166) 13.481 12.167 ( 2.319 0.000 -5.149) 5.647 12.411 ( -0.986 0.000 15.561) 15.592 12.519 ( -1.347 0.000 0.492) 1.435 12.560 ( -3.042 0.000 -3.802) 4.869 12.799 ( -0.207 0.000 2.869) 2.876 12.824 ( -3.876 0.000 6.076) 7.207 12.898 ( -10.646 0.000 5.430) 11.951 12.949 ( -9.131 0.000 0.040) 9.131 13.064 ( -2.073 0.000 2.964) 3.617 13.196 ( -6.720 0.000 1.548) 6.896 13.233 ( -4.983 0.000 2.704) 5.669 13.305 ( -3.444 0.000 -4.143) 5.387 13.481 ( 0.953 0.000 0.276) 0.992 13.508 ( 4.213 0.000 -1.660) 4.529 13.544 ( 2.562 0.000 0.402) 2.593 13.563 ( 1.540 0.000 -1.546) 2.182 13.753 ( 5.854 0.000 -3.635) 6.891 13.764 ( -7.538 0.000 -5.541) 9.356 14.044 ( 10.797 0.000 5.610) 12.167 14.221 ( 1.258 0.000 -2.008) 2.370 14.313 ( 3.252 0.000 -21.910) 22.150 14.580 ( -8.253 0.000 -7.074) 10.870 14.892 ( 0.012 0.000 -2.248) 2.248 14.932 ( 4.171 0.000 -2.025) 4.637 15.108 ( 7.689 0.000 -17.193) 18.834 15.188 ( -4.052 0.000 8.324) 9.257 15.339 ( -2.949 0.000 5.421) 6.171 15.440 ( 5.537 0.000 5.806) 8.023 15.709 ( 0.396 0.000 0.769) 0.865 15.741 ( 2.141 0.000 4.279) 4.785 15.763 ( -5.281 0.000 -0.152) 5.283 15.851 ( -0.286 0.000 -1.063) 1.101 16.011 ( 6.193 0.000 2.220) 6.579 16.265 ( -5.513 0.000 16.230) 17.141 16.729 ( -1.331 0.000 1.197) 1.790 16.856 ( 0.538 0.000 -1.045) 1.176 17.017 ( 2.185 0.000 -3.466) 4.097 17.775 ( 0.832 0.000 0.661) 1.063 17.988 ( 5.437 0.000 -2.525) 5.995 18.009 ( 0.783 0.000 1.944) 2.096 18.156 ( 3.425 0.000 -1.349) 3.681 21.120 ( 0.230 0.000 0.608) 0.650 21.169 ( -2.125 0.000 -2.520) 3.297 21.582 ( -0.415 0.000 9.087) 9.096 21.948 ( -1.132 0.000 4.999) 5.126 22.047 ( 6.560 0.000 2.453) 7.004 22.268 ( 0.922 0.000 -3.366) 3.490 22.532 ( -1.366 0.000 12.677) 12.750 22.740 ( -0.753 0.000 3.233) 3.319 22.825 ( 0.037 0.000 -3.942) 3.942 22.970 ( 2.891 0.000 4.395) 5.260 23.155 ( -3.126 0.000 -3.680) 4.829 23.392 ( -1.402 0.000 -5.959) 6.121 23.713 ( -4.083 0.000 -6.213) 7.435 23.754 ( -2.223 0.000 -23.786) 23.890 23.962 ( -4.879 0.000 0.610) 4.917 24.256 ( 3.846 0.000 -5.356) 6.593 24.309 ( -8.641 0.000 0.820) 8.680 24.524 ( 3.834 0.000 -0.127) 3.837 24.630 ( -4.827 0.000 11.537) 12.506 24.834 ( -0.302 0.000 3.691) 3.704 25.106 ( -5.975 0.000 0.853) 6.035 25.172 ( 6.239 0.000 -1.670) 6.459 25.355 ( 7.192 0.000 3.746) 8.108 25.807 ( 10.905 0.000 -1.863) 11.063 26.930 ( -2.180 0.000 -0.021) 2.180 26.978 ( -0.170 0.000 -0.016) 0.171 27.012 ( -2.611 0.000 0.836) 2.742 27.143 ( 0.643 0.000 -0.845) 1.062 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -27.263 0.000 2.588) 27.385 1.191 ( -27.141 0.000 2.213) 27.231 1.716 ( 0.823 0.000 -1.991) 2.154 1.910 ( -0.737 0.000 -2.060) 2.188 2.026 ( -12.096 0.000 0.927) 12.131 2.075 ( -14.285 0.000 2.209) 14.455 2.163 ( 3.761 0.000 -1.592) 4.084 2.209 ( -7.340 0.000 0.016) 7.340 2.270 ( -10.134 0.000 -0.159) 10.136 2.300 ( 1.094 0.000 7.848) 7.924 2.428 ( -0.743 0.000 1.685) 1.841 2.491 ( -9.064 0.000 0.867) 9.105 2.596 ( -1.900 0.000 -5.296) 5.626 2.668 ( -0.854 0.000 8.685) 8.727 2.722 ( -3.011 0.000 -1.565) 3.393 2.785 ( -6.137 0.000 -0.011) 6.137 2.801 ( -2.024 0.000 -0.627) 2.119 2.848 ( 4.198 0.000 -5.300) 6.761 2.904 ( 4.481 0.000 2.138) 4.965 2.932 ( 0.680 0.000 0.297) 0.742 2.977 ( 5.206 0.000 2.330) 5.704 3.029 ( -6.461 0.000 1.450) 6.622 3.124 ( -2.652 0.000 -1.843) 3.229 3.127 ( -3.933 0.000 1.957) 4.393 3.226 ( -3.773 0.000 0.541) 3.812 3.321 ( 0.448 0.000 -0.651) 0.790 3.444 ( -8.081 0.000 -2.327) 8.409 3.503 ( -2.302 0.000 -9.837) 10.103 3.506 ( -1.655 0.000 0.377) 1.697 3.541 ( 0.613 0.000 2.456) 2.532 3.651 ( 2.390 0.000 -3.830) 4.515 3.667 ( 5.018 0.000 9.936) 11.131 3.823 ( -5.272 0.000 1.182) 5.403 3.949 ( -2.105 0.000 -4.905) 5.337 3.949 ( 2.844 0.000 3.864) 4.798 4.110 ( 8.751 0.000 4.840) 10.000 4.164 ( 9.997 0.000 -5.165) 11.252 4.191 ( 7.272 0.000 2.219) 7.603 4.374 ( -1.498 0.000 -2.018) 2.514 4.479 ( 2.135 0.000 6.045) 6.411 4.619 ( 5.192 0.000 0.155) 5.195 4.716 ( 0.164 0.000 1.772) 1.780 4.737 ( 1.379 0.000 -2.213) 2.607 4.924 ( 6.812 0.000 2.671) 7.317 4.972 ( -0.469 0.000 -10.417) 10.427 5.041 ( -2.856 0.000 2.328) 3.684 5.109 ( -3.939 0.000 4.183) 5.746 5.153 ( 8.258 0.000 -2.260) 8.562 5.174 ( 4.349 0.000 -6.360) 7.705 5.331 ( -1.455 0.000 -7.377) 7.519 5.401 ( -2.448 0.000 0.141) 2.452 5.439 ( 2.848 0.000 2.480) 3.777 5.752 ( -0.145 0.000 1.025) 1.035 5.877 ( -0.412 0.000 -2.312) 2.349 5.898 ( -3.933 0.000 -1.398) 4.174 6.186 ( -1.023 0.000 0.188) 1.040 6.233 ( -5.896 0.000 -3.163) 6.691 6.326 ( 6.181 0.000 -1.856) 6.453 6.401 ( -1.403 0.000 4.055) 4.291 6.675 ( 5.189 0.000 0.757) 5.244 6.839 ( 4.464 0.000 -1.421) 4.684 6.871 ( 10.644 0.000 4.663) 11.621 6.939 ( 5.740 0.000 -2.089) 6.108 6.972 ( -0.756 0.000 1.107) 1.341 7.232 ( 14.110 0.000 -2.195) 14.279 7.461 ( 12.033 0.000 -1.260) 12.098 7.882 ( 2.923 0.000 -2.250) 3.689 8.042 ( -0.511 0.000 4.075) 4.106 8.176 ( -11.971 0.000 5.977) 13.380 8.234 ( -6.318 0.000 3.706) 7.325 8.526 ( -5.542 0.000 4.572) 7.184 8.527 ( -12.490 0.000 -2.647) 12.767 8.630 ( -7.872 0.000 -2.826) 8.364 8.775 ( -3.385 0.000 -0.075) 3.386 8.901 ( -5.622 0.000 4.629) 7.282 9.141 ( -1.346 0.000 5.114) 5.288 9.164 ( -4.817 0.000 -5.277) 7.145 9.182 ( 4.168 0.000 -0.437) 4.191 9.237 ( -5.226 0.000 1.313) 5.388 9.331 ( -4.946 0.000 10.771) 11.852 9.438 ( 7.706 0.000 1.313) 7.817 9.475 ( 2.293 0.000 -5.510) 5.968 9.521 ( 7.233 0.000 3.329) 7.962 9.613 ( 6.444 0.000 4.631) 7.935 9.716 ( 1.814 0.000 0.069) 1.815 9.732 ( 1.035 0.000 8.646) 8.708 9.842 ( 0.601 0.000 -3.011) 3.070 9.993 ( 3.284 0.000 -9.910) 10.440 10.167 ( -1.351 0.000 4.482) 4.681 10.225 ( 8.028 0.000 0.614) 8.051 10.296 ( 5.584 0.000 -0.641) 5.621 10.396 ( 3.476 0.000 -7.847) 8.582 10.463 ( 4.766 0.000 6.040) 7.694 10.578 ( 2.032 0.000 8.943) 9.171 10.603 ( -4.876 0.000 2.461) 5.462 10.690 ( -1.376 0.000 2.266) 2.651 10.725 ( 4.260 0.000 -0.763) 4.328 10.887 ( 3.419 0.000 -0.394) 3.442 10.993 ( -3.017 0.000 -7.063) 7.681 11.127 ( -1.782 0.000 -10.219) 10.373 11.210 ( -1.017 0.000 -5.817) 5.905 11.243 ( 0.355 0.000 2.216) 2.244 11.421 ( -6.721 0.000 4.396) 8.031 11.490 ( 1.563 0.000 -2.224) 2.718 11.494 ( 6.921 0.000 6.944) 9.805 11.631 ( 1.714 0.000 -5.629) 5.885 11.700 ( 2.238 0.000 -2.023) 3.017 11.802 ( -1.694 0.000 -1.551) 2.297 11.872 ( 5.028 0.000 -2.748) 5.730 12.032 ( -8.757 0.000 -1.817) 8.943 12.041 ( 0.593 0.000 3.555) 3.604 12.313 ( 11.485 0.000 -9.708) 15.039 12.439 ( -3.357 0.000 8.320) 8.972 12.471 ( -5.444 0.000 1.446) 5.632 12.499 ( -2.722 0.000 -2.201) 3.500 12.610 ( -20.131 0.000 -2.111) 20.241 12.647 ( -12.009 0.000 3.308) 12.456 12.713 ( -6.593 0.000 0.293) 6.599 12.777 ( -3.759 0.000 5.917) 7.010 12.958 ( -14.748 0.000 -4.089) 15.305 13.146 ( -8.090 0.000 -3.533) 8.828 13.164 ( -9.551 0.000 5.167) 10.859 13.215 ( 8.972 0.000 6.396) 11.018 13.352 ( -8.092 0.000 0.346) 8.099 13.483 ( -0.451 0.000 -3.678) 3.705 13.511 ( -7.785 0.000 2.583) 8.202 13.675 ( 4.263 0.000 -4.918) 6.508 13.723 ( 2.994 0.000 -0.115) 2.996 13.802 ( 2.506 0.000 -3.690) 4.460 14.208 ( -2.252 0.000 -16.615) 16.767 14.272 ( 7.711 0.000 -7.694) 10.893 14.301 ( 10.899 0.000 3.856) 11.561 14.440 ( 0.044 0.000 -5.530) 5.530 14.895 ( 0.014 0.000 0.855) 0.855 14.976 ( 0.257 0.000 -5.998) 6.004 15.138 ( -4.822 0.000 6.015) 7.709 15.149 ( 5.716 0.000 -6.942) 8.992 15.288 ( -2.080 0.000 -1.081) 2.344 15.465 ( -7.509 0.000 4.000) 8.508 15.617 ( -4.051 0.000 -18.880) 19.310 15.719 ( -2.831 0.000 4.120) 4.999 15.730 ( 1.551 0.000 0.085) 1.554 16.032 ( 11.682 0.000 2.830) 12.020 16.119 ( 3.488 0.000 0.745) 3.567 16.390 ( 4.522 0.000 28.321) 28.680 16.707 ( -1.676 0.000 2.431) 2.952 16.858 ( 0.488 0.000 -1.460) 1.539 17.058 ( 3.768 0.000 -3.243) 4.971 17.843 ( 5.013 0.000 1.339) 5.189 18.072 ( 3.892 0.000 1.604) 4.210 18.138 ( 9.693 0.000 -1.623) 9.828 18.243 ( 5.484 0.000 -1.480) 5.680 21.090 ( -3.566 0.000 -2.596) 4.411 21.115 ( -1.136 0.000 1.022) 1.529 21.592 ( -3.514 0.000 5.733) 6.724 21.959 ( -0.903 0.000 4.811) 4.895 22.181 ( 5.339 0.000 -1.446) 5.532 22.278 ( 2.189 0.000 -2.722) 3.494 22.584 ( -2.656 0.000 11.281) 11.590 22.735 ( -1.595 0.000 5.567) 5.791 22.793 ( -0.633 0.000 -3.945) 3.996 23.043 ( -5.035 0.000 -1.908) 5.384 23.078 ( 4.332 0.000 2.931) 5.231 23.319 ( -1.585 0.000 -9.168) 9.304 23.559 ( -2.248 0.000 -12.054) 12.261 23.623 ( -1.366 0.000 -3.066) 3.357 23.857 ( -5.372 0.000 0.439) 5.390 24.157 ( -6.836 0.000 0.563) 6.859 24.184 ( -5.431 0.000 -5.308) 7.594 24.590 ( 0.699 0.000 2.767) 2.854 24.646 ( 1.288 0.000 6.186) 6.319 24.913 ( -10.526 0.000 2.823) 10.898 24.914 ( 5.637 0.000 1.226) 5.768 25.351 ( 11.483 0.000 -0.325) 11.488 25.658 ( 16.245 0.000 1.211) 16.291 26.069 ( 13.678 0.000 -0.288) 13.681 26.862 ( -4.075 0.000 -0.287) 4.085 26.923 ( -5.295 0.000 1.409) 5.479 26.969 ( -1.733 0.000 -1.084) 2.044 27.143 ( -0.062 0.000 -0.629) 0.632 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -25.694 0.000 10.055) 27.592 0.684 ( -24.627 0.000 14.443) 28.549 1.278 ( -45.475 0.000 24.606) 51.705 1.715 ( 3.733 0.000 -13.881) 14.374 1.900 ( -1.734 0.000 1.218) 2.119 2.024 ( 1.465 0.000 -3.121) 3.447 2.102 ( -3.255 0.000 0.231) 3.264 2.130 ( -3.147 0.000 1.885) 3.669 2.194 ( -4.104 0.000 1.389) 4.332 2.340 ( -2.600 0.000 4.463) 5.165 2.363 ( -3.904 0.000 -3.439) 5.203 2.478 ( 1.902 0.000 1.477) 2.408 2.492 ( -2.572 0.000 -5.015) 5.636 2.547 ( -5.267 0.000 -1.544) 5.488 2.677 ( -3.487 0.000 1.175) 3.679 2.722 ( -3.587 0.000 -2.466) 4.353 2.777 ( -1.471 0.000 3.391) 3.696 2.844 ( -0.634 0.000 -3.865) 3.916 2.872 ( -0.044 0.000 -2.052) 2.053 2.953 ( -5.463 0.000 2.482) 6.000 2.967 ( -3.143 0.000 0.006) 3.143 3.050 ( 2.424 0.000 6.834) 7.251 3.147 ( -0.529 0.000 6.393) 6.414 3.181 ( -3.808 0.000 -0.125) 3.811 3.200 ( 5.382 0.000 0.211) 5.386 3.221 ( 3.802 0.000 -1.911) 4.255 3.389 ( 0.515 0.000 -5.812) 5.835 3.479 ( 3.969 0.000 -1.808) 4.362 3.504 ( 3.783 0.000 3.059) 4.865 3.606 ( 1.789 0.000 2.875) 3.386 3.612 ( -4.368 0.000 -8.139) 9.237 3.793 ( 1.383 0.000 7.304) 7.434 3.797 ( 3.868 0.000 -1.248) 4.065 3.901 ( -6.336 0.000 -1.272) 6.463 3.911 ( -0.437 0.000 1.857) 1.908 4.206 ( -4.216 0.000 -5.271) 6.750 4.239 ( -0.644 0.000 -1.771) 1.885 4.302 ( 4.763 0.000 -5.153) 7.017 4.313 ( -7.681 0.000 -7.450) 10.701 4.591 ( 3.955 0.000 2.751) 4.818 4.665 ( 5.898 0.000 -1.883) 6.191 4.674 ( -3.459 0.000 -2.019) 4.005 4.757 ( 2.856 0.000 -2.481) 3.783 4.933 ( 0.629 0.000 -3.640) 3.694 4.955 ( -3.676 0.000 0.668) 3.736 5.080 ( -1.104 0.000 5.091) 5.210 5.123 ( 6.223 0.000 1.587) 6.423 5.162 ( 1.225 0.000 -9.156) 9.238 5.279 ( 4.858 0.000 -3.753) 6.139 5.343 ( 4.458 0.000 -6.314) 7.729 5.365 ( -0.110 0.000 3.522) 3.524 5.482 ( -0.753 0.000 -1.157) 1.381 5.791 ( 0.773 0.000 5.373) 5.428 5.831 ( -3.838 0.000 3.825) 5.418 5.864 ( 1.823 0.000 2.685) 3.246 5.980 ( -7.162 0.000 -2.684) 7.649 6.191 ( -0.547 0.000 4.148) 4.184 6.389 ( 4.161 0.000 -2.043) 4.635 6.636 ( 12.691 0.000 10.053) 16.190 6.667 ( -0.955 0.000 -6.674) 6.742 6.895 ( 3.612 0.000 -4.709) 5.934 7.073 ( 6.611 0.000 6.084) 8.985 7.086 ( 11.133 0.000 -5.179) 12.278 7.182 ( 15.013 0.000 3.977) 15.531 7.506 ( 11.475 0.000 -2.142) 11.673 7.685 ( 5.556 0.000 0.486) 5.577 7.884 ( -12.167 0.000 2.982) 12.528 7.987 ( -14.355 0.000 4.174) 14.950 8.013 ( -10.287 0.000 6.252) 12.038 8.096 ( 12.855 0.000 8.898) 15.634 8.239 ( -12.993 0.000 -6.928) 14.724 8.502 ( -2.308 0.000 0.225) 2.319 8.530 ( 1.023 0.000 4.461) 4.577 8.744 ( -0.358 0.000 1.191) 1.244 8.784 ( -7.120 0.000 3.273) 7.837 9.018 ( -3.882 0.000 -6.380) 7.469 9.027 ( -12.135 0.000 9.696) 15.533 9.169 ( -0.589 0.000 4.716) 4.753 9.220 ( 0.059 0.000 -0.817) 0.819 9.352 ( 1.610 0.000 3.242) 3.620 9.474 ( 1.844 0.000 -9.276) 9.458 9.583 ( 5.803 0.000 -3.525) 6.790 9.694 ( 0.617 0.000 -8.223) 8.247 9.734 ( 2.567 0.000 2.400) 3.514 9.779 ( 9.153 0.000 8.255) 12.326 9.860 ( 3.488 0.000 3.116) 4.677 9.929 ( 11.526 0.000 8.601) 14.382 10.049 ( 7.262 0.000 -3.550) 8.083 10.142 ( -2.815 0.000 2.066) 3.491 10.287 ( -8.678 0.000 -1.686) 8.840 10.373 ( -2.420 0.000 -3.076) 3.914 10.375 ( -1.566 0.000 3.388) 3.732 10.407 ( -0.347 0.000 -1.403) 1.445 10.568 ( -1.250 0.000 1.817) 2.206 10.637 ( -3.683 0.000 2.685) 4.558 10.828 ( 13.164 0.000 -1.432) 13.241 10.833 ( -2.018 0.000 -4.209) 4.668 10.872 ( 7.030 0.000 2.312) 7.400 10.946 ( 3.807 0.000 1.802) 4.212 11.057 ( -0.189 0.000 -4.732) 4.736 11.202 ( 2.336 0.000 -1.787) 2.941 11.289 ( -0.653 0.000 -1.085) 1.267 11.398 ( 0.213 0.000 3.053) 3.060 11.492 ( 2.009 0.000 -2.970) 3.586 11.613 ( -3.090 0.000 -1.944) 3.651 11.693 ( 5.249 0.000 -1.377) 5.426 11.698 ( -1.863 0.000 1.992) 2.728 11.762 ( 4.122 0.000 -0.855) 4.210 11.880 ( -4.264 0.000 1.998) 4.709 11.991 ( 5.437 0.000 -6.153) 8.211 12.081 ( -0.373 0.000 5.204) 5.217 12.164 ( -16.745 0.000 -4.690) 17.389 12.296 ( -9.025 0.000 -1.386) 9.131 12.368 ( -5.200 0.000 1.560) 5.429 12.411 ( 1.635 0.000 -5.608) 5.842 12.438 ( -5.804 0.000 5.072) 7.708 12.510 ( -5.273 0.000 0.823) 5.337 12.631 ( 1.136 0.000 -4.285) 4.433 12.642 ( -12.002 0.000 -2.105) 12.185 12.767 ( -1.831 0.000 6.973) 7.209 12.962 ( -8.283 0.000 2.611) 8.685 12.978 ( -5.724 0.000 -3.524) 6.722 13.202 ( -6.338 0.000 -0.419) 6.352 13.384 ( 3.517 0.000 -0.562) 3.561 13.413 ( -6.119 0.000 5.637) 8.320 13.436 ( -1.827 0.000 -4.804) 5.140 13.622 ( -8.035 0.000 -24.074) 25.380 13.711 ( -1.690 0.000 -2.830) 3.297 13.805 ( -2.880 0.000 -9.311) 9.746 13.927 ( -13.394 0.000 -11.468) 17.633 14.400 ( 6.874 0.000 -4.389) 8.156 14.528 ( 10.486 0.000 -0.875) 10.522 14.554 ( 13.517 0.000 -2.573) 13.760 14.870 ( -8.526 0.000 -10.101) 13.218 14.873 ( -4.600 0.000 4.830) 6.670 15.091 ( -2.141 0.000 2.059) 2.971 15.151 ( -14.215 0.000 -13.523) 19.620 15.183 ( -7.686 0.000 -10.573) 13.071 15.278 ( -10.520 0.000 1.207) 10.589 15.310 ( 4.238 0.000 -9.515) 10.416 15.699 ( -1.859 0.000 4.840) 5.185 15.793 ( 2.890 0.000 0.469) 2.927 16.187 ( 1.888 0.000 4.371) 4.761 16.252 ( 7.139 0.000 2.901) 7.705 16.672 ( 0.170 0.000 3.247) 3.251 16.855 ( 0.353 0.000 -1.901) 1.933 16.893 ( 22.355 0.000 32.036) 39.065 17.120 ( 3.645 0.000 -1.232) 3.848 17.968 ( 5.164 0.000 2.797) 5.873 18.163 ( 3.477 0.000 1.858) 3.942 18.302 ( 6.382 0.000 -3.572) 7.314 18.339 ( 4.791 0.000 -0.333) 4.803 21.016 ( -1.925 0.000 -1.304) 2.325 21.092 ( -1.440 0.000 0.464) 1.513 21.527 ( -4.300 0.000 0.190) 4.304 21.967 ( -2.345 0.000 2.144) 3.177 22.070 ( -14.966 0.000 -36.993) 39.905 22.311 ( 2.320 0.000 -2.754) 3.601 22.460 ( -8.696 0.000 -0.334) 8.702 22.739 ( -3.502 0.000 2.645) 4.389 22.756 ( -0.367 0.000 -3.044) 3.067 22.918 ( -3.827 0.000 -5.512) 6.710 23.196 ( 3.170 0.000 6.974) 7.661 23.248 ( 0.411 0.000 0.963) 1.047 23.613 ( 0.510 0.000 1.182) 1.288 23.703 ( 3.769 0.000 5.769) 6.891 23.921 ( 25.485 0.000 35.871) 44.003 24.046 ( -4.606 0.000 0.927) 4.698 24.066 ( -2.046 0.000 -2.276) 3.060 24.636 ( 3.719 0.000 8.568) 9.340 24.719 ( -0.268 0.000 3.791) 3.800 24.750 ( -4.435 0.000 3.233) 5.489 25.017 ( 3.906 0.000 -1.660) 4.244 25.577 ( 9.650 0.000 -1.076) 9.710 25.963 ( 12.148 0.000 4.624) 12.999 26.295 ( 7.382 0.000 1.161) 7.472 26.780 ( -3.423 0.000 -0.132) 3.425 26.828 ( -3.713 0.000 0.541) 3.752 26.917 ( -2.367 0.000 -1.330) 2.715 27.126 ( -1.527 0.000 -3.653) 3.959 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -6.553 19.497 16.936) 26.644 0.845 ( 9.203 19.551 19.422) 29.054 1.449 ( 0.581 38.247 24.257) 45.294 1.690 ( 2.781 -1.091 -9.860) 10.302 1.829 ( -0.500 1.307 -5.640) 5.811 1.980 ( -0.322 -5.865 1.101) 5.976 2.035 ( 1.064 -4.691 1.593) 5.067 2.160 ( -0.889 1.738 1.918) 2.737 2.178 ( 2.163 -2.502 2.499) 4.145 2.276 ( 2.182 -3.798 0.405) 4.399 2.357 ( 1.012 1.246 1.965) 2.537 2.415 ( -1.378 0.771 -0.537) 1.668 2.478 ( -1.115 1.148 0.961) 1.866 2.492 ( 0.227 0.691 -2.740) 2.835 2.617 ( -1.543 -1.775 -1.076) 2.587 2.644 ( -0.655 0.968 -1.447) 1.860 2.718 ( -2.078 0.852 -1.423) 2.659 2.876 ( -0.677 2.828 -0.181) 2.914 2.897 ( 0.719 2.612 -1.067) 2.912 2.916 ( 1.201 0.583 -0.321) 1.373 2.919 ( -1.230 0.489 0.981) 1.648 3.078 ( -0.550 -2.510 5.475) 6.048 3.132 ( -1.656 0.187 4.053) 4.383 3.171 ( -0.041 2.384 3.094) 3.906 3.196 ( 1.034 -0.880 3.663) 3.906 3.342 ( -2.680 -0.108 -4.166) 4.955 3.417 ( 5.687 1.785 0.457) 5.978 3.445 ( -4.561 -2.504 -0.424) 5.220 3.530 ( 2.287 -3.567 -1.214) 4.408 3.553 ( -3.681 -3.187 -1.080) 4.987 3.616 ( 1.840 5.221 -6.360) 8.431 3.697 ( -1.074 -0.542 -0.399) 1.268 3.753 ( 4.212 -4.289 2.702) 6.591 3.913 ( -3.807 3.000 -0.263) 4.855 3.951 ( -0.500 1.002 1.739) 2.068 4.049 ( 0.070 5.385 1.554) 5.605 4.096 ( 3.144 -5.682 0.230) 6.498 4.230 ( 2.040 -17.271 -2.381) 17.553 4.311 ( -4.168 4.093 -0.121) 5.843 4.456 ( 2.611 -0.351 -3.055) 4.034 4.592 ( -3.580 0.121 -1.855) 4.034 4.679 ( -0.686 -5.772 -0.189) 5.815 4.808 ( 2.501 0.969 -0.738) 2.782 4.898 ( -0.602 1.837 -3.648) 4.128 4.993 ( 3.983 -1.993 -0.079) 4.455 5.060 ( -3.113 0.181 -0.126) 3.120 5.114 ( 1.864 -0.507 4.221) 4.642 5.218 ( -2.163 -0.170 -4.883) 5.344 5.313 ( 5.179 -0.142 -0.512) 5.207 5.350 ( -4.431 -0.083 -4.934) 6.632 5.413 ( 2.963 2.677 -3.344) 5.208 5.480 ( -0.335 4.740 -0.826) 4.823 5.780 ( -1.271 -3.047 3.987) 5.176 5.797 ( 0.485 -3.075 4.553) 5.515 5.922 ( 1.946 -2.308 4.952) 5.800 5.984 ( 1.432 -4.074 2.940) 5.224 6.309 ( 1.662 2.973 4.709) 5.811 6.517 ( -1.489 4.393 -1.527) 4.884 6.592 ( 1.344 -12.553 5.951) 13.957 6.665 ( 0.756 0.433 -3.377) 3.488 6.979 ( 6.602 3.410 -5.382) 9.175 7.153 ( -6.728 2.291 -8.639) 11.187 7.227 ( 0.436 0.826 4.063) 4.169 7.420 ( -5.304 -2.231 -4.053) 7.039 7.585 ( 5.160 -3.771 1.326) 6.527 7.655 ( -4.192 0.938 -1.129) 4.441 7.731 ( -9.625 1.492 6.013) 11.447 7.811 ( 3.355 5.826 3.863) 7.754 7.939 ( -1.111 3.238 -2.072) 4.001 8.376 ( 8.441 -0.658 7.453) 11.280 8.391 ( -3.903 -1.930 2.013) 4.797 8.529 ( -10.945 4.666 -5.652) 13.172 8.619 ( 8.110 9.220 -12.396) 17.449 8.747 ( -1.976 3.442 0.682) 4.027 8.779 ( -1.347 6.856 2.107) 7.298 8.857 ( -9.800 4.893 6.476) 12.725 9.028 ( 1.889 -4.971 -1.718) 5.588 9.182 ( 0.739 -2.009 4.469) 4.955 9.328 ( 4.532 1.152 1.294) 4.852 9.364 ( 0.160 -8.267 -8.387) 11.777 9.501 ( 6.962 -2.483 -4.428) 8.617 9.516 ( -1.657 -4.993 -3.965) 6.588 9.598 ( -1.007 6.446 1.309) 6.654 9.727 ( -18.734 5.526 -3.827) 19.904 9.846 ( 8.139 4.540 0.334) 9.326 9.869 ( 2.452 -1.041 -0.114) 2.666 10.005 ( -7.826 7.094 1.013) 10.611 10.101 ( 2.011 -1.761 4.651) 5.365 10.154 ( 3.596 -3.300 3.042) 5.751 10.225 ( 6.299 -2.981 0.935) 7.031 10.335 ( 2.206 1.556 1.125) 2.924 10.424 ( 0.134 -1.367 -3.357) 3.627 10.502 ( 0.992 -0.125 7.115) 7.185 10.567 ( 2.964 -1.713 -0.225) 3.430 10.623 ( 1.364 3.362 4.487) 5.770 10.843 ( -0.195 3.671 0.615) 3.728 10.887 ( -0.716 -5.381 6.590) 8.538 10.932 ( -2.298 -8.275 2.148) 8.853 11.013 ( -5.684 -0.087 0.420) 5.700 11.124 ( -3.169 -2.972 -1.448) 4.580 11.221 ( 0.645 5.449 -5.362) 7.672 11.330 ( -2.446 -3.091 6.524) 7.623 11.407 ( -4.353 6.517 0.401) 7.847 11.414 ( 3.048 2.551 3.042) 5.005 11.563 ( -0.043 -1.585 -3.330) 3.689 11.613 ( 7.658 -6.282 -1.878) 10.081 11.685 ( -3.613 2.254 -7.979) 9.045 11.729 ( -3.056 -3.215 -2.002) 4.867 11.830 ( -0.162 -4.573 -1.049) 4.695 11.935 ( 7.793 3.023 -0.721) 8.389 12.022 ( -0.840 -1.624 -3.185) 3.672 12.061 ( 5.414 -7.112 0.137) 8.940 12.103 ( -2.191 1.784 -0.320) 2.844 12.278 ( -6.448 -2.002 1.078) 6.837 12.353 ( 5.079 -1.728 2.464) 5.904 12.374 ( 3.838 -4.351 4.502) 7.344 12.454 ( -1.771 2.519 -0.456) 3.113 12.550 ( 1.015 2.883 -2.898) 4.212 12.619 ( 4.442 3.872 1.851) 6.176 12.694 ( 1.211 -1.947 -1.812) 2.922 12.754 ( -4.389 1.021 6.092) 7.578 12.951 ( -1.078 -3.617 -0.999) 3.904 13.087 ( 1.904 -0.693 0.491) 2.084 13.178 ( -5.547 5.335 -3.651) 8.519 13.335 ( -1.473 -4.263 -5.373) 7.015 13.368 ( 0.698 -2.545 -6.484) 7.001 13.517 ( 0.713 1.014 -6.923) 7.033 13.583 ( 0.692 6.143 -1.950) 6.482 13.781 ( 0.854 7.454 -8.173) 11.094 13.822 ( -0.613 -1.877 -3.003) 3.594 14.491 ( 6.338 -3.863 9.641) 12.167 14.508 ( -1.054 -7.315 -0.037) 7.391 14.669 ( 6.220 -3.726 -1.741) 7.457 14.716 ( -1.002 -4.336 -0.414) 4.469 14.788 ( 4.914 -2.632 2.577) 6.141 14.889 ( -1.229 -1.677 4.616) 5.063 15.055 ( -4.101 1.947 0.320) 4.551 15.176 ( -5.933 5.205 -5.698) 9.735 15.289 ( 0.822 1.735 -8.774) 8.982 15.409 ( 2.012 6.673 -10.913) 12.949 15.817 ( -0.115 11.082 4.422) 11.932 15.989 ( -0.878 12.850 0.159) 12.881 16.172 ( -0.824 -1.800 9.450) 9.656 16.404 ( -0.904 2.601 0.998) 2.929 16.604 ( -0.734 -6.068 4.775) 7.756 16.877 ( 0.074 0.870 2.291) 2.452 16.924 ( -2.025 -19.699 15.993) 25.454 17.159 ( 0.975 -3.421 1.668) 3.929 18.006 ( -0.367 0.428 3.401) 3.447 18.177 ( 0.087 -3.594 2.249) 4.241 18.391 ( 0.349 3.519 -3.819) 5.205 18.472 ( -0.272 2.610 -4.655) 5.344 21.027 ( 1.323 1.895 0.388) 2.343 21.140 ( 2.509 3.635 -4.288) 6.155 21.262 ( -7.526 -2.904 0.673) 8.095 21.408 ( -2.085 -3.594 -3.184) 5.235 22.036 ( -1.308 4.637 4.506) 6.597 22.336 ( 0.802 -0.111 -0.805) 1.141 22.396 ( -0.764 0.492 3.962) 4.065 22.616 ( -0.154 -4.266 1.025) 4.390 22.915 ( -1.170 7.759 -5.152) 9.387 22.986 ( -1.785 10.751 -13.438) 17.302 23.251 ( 1.785 0.360 7.026) 7.259 23.379 ( 0.213 4.795 3.518) 5.951 23.606 ( 2.753 -2.978 3.728) 5.509 23.739 ( -0.787 -0.291 2.716) 2.842 23.969 ( 1.106 -2.640 2.103) 3.552 24.051 ( 1.251 -1.452 0.870) 2.105 24.419 ( 4.662 -2.016 -7.870) 9.367 24.547 ( -5.814 -3.148 -5.833) 8.817 24.746 ( 0.489 -1.684 2.599) 3.136 24.927 ( -0.592 -8.308 -2.029) 8.573 25.175 ( 6.954 -4.659 10.687) 13.575 25.552 ( -1.575 -7.604 -4.462) 8.956 26.328 ( 1.163 9.662 6.962) 11.966 26.607 ( 8.479 3.057 -3.682) 9.736 26.749 ( 0.517 0.142 0.477) 0.718 26.776 ( -2.400 -0.956 0.452) 2.623 26.826 ( -2.780 1.426 1.488) 3.461 27.069 ( -2.933 4.044 -10.006) 11.184 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 14.795 15.103 11.231) 23.940 1.239 ( 15.225 15.550 14.517) 26.160 1.590 ( -0.032 1.270 -6.355) 6.481 1.838 ( 12.818 10.451 -0.644) 16.552 1.906 ( 7.965 5.738 -1.265) 9.898 1.972 ( 4.206 1.574 -5.697) 7.254 2.091 ( 4.101 -4.679 9.224) 11.127 2.201 ( -0.113 -0.141 0.838) 0.857 2.245 ( 4.182 1.172 7.827) 8.951 2.316 ( -1.558 0.526 2.631) 3.103 2.358 ( 0.070 2.701 -1.833) 3.265 2.472 ( 1.629 -5.176 2.133) 5.830 2.489 ( 4.194 2.022 4.590) 6.538 2.509 ( 4.239 -2.589 0.960) 5.059 2.596 ( 0.430 2.763 -1.648) 3.246 2.676 ( 6.063 1.927 0.994) 6.439 2.731 ( 3.645 0.402 -1.276) 3.883 2.853 ( -1.269 -0.428 -0.039) 1.340 2.903 ( -0.570 0.732 -1.507) 1.769 2.935 ( 0.792 1.403 -1.079) 1.939 2.982 ( 3.105 4.236 -0.577) 5.284 3.076 ( -3.521 -0.487 0.133) 3.557 3.120 ( 1.448 -3.373 1.333) 3.905 3.153 ( -2.622 -0.704 1.946) 3.340 3.189 ( -3.697 1.832 0.492) 4.155 3.339 ( 5.493 -0.824 3.556) 6.595 3.361 ( -2.732 -2.454 1.392) 3.927 3.445 ( -3.809 -3.267 -2.043) 5.418 3.515 ( 2.325 -0.273 2.026) 3.096 3.573 ( 0.658 -3.873 -0.263) 3.937 3.643 ( 5.304 10.788 -7.348) 14.089 3.749 ( 4.586 -3.537 1.857) 6.081 3.771 ( -2.796 2.597 -4.898) 6.209 3.942 ( 2.941 -4.930 -3.314) 6.629 3.963 ( -1.023 -1.499 1.948) 2.662 4.044 ( 0.805 -1.437 -2.814) 3.260 4.204 ( 3.482 0.650 -0.570) 3.588 4.227 ( -2.685 1.622 -2.615) 4.084 4.271 ( 0.248 -10.727 3.759) 11.369 4.475 ( -2.555 1.912 2.062) 3.799 4.517 ( -1.005 0.927 -4.401) 4.609 4.662 ( 2.404 -2.009 -1.661) 3.546 4.816 ( 0.173 0.577 0.534) 0.805 4.842 ( -1.863 -2.220 -4.282) 5.170 4.930 ( -6.433 2.232 -0.835) 6.860 5.038 ( -4.383 4.907 -4.992) 8.259 5.131 ( -1.852 -5.063 -3.874) 6.639 5.202 ( 1.687 1.020 2.471) 3.161 5.295 ( 3.302 -2.627 -0.909) 4.316 5.382 ( 2.220 1.815 -0.565) 2.922 5.433 ( 0.218 1.268 -2.394) 2.718 5.480 ( 2.306 1.995 1.409) 3.359 5.789 ( 1.194 -3.142 0.711) 3.435 5.850 ( 1.239 -4.409 4.449) 6.385 5.994 ( 2.476 -2.742 4.788) 6.048 6.020 ( 0.305 -2.765 1.202) 3.030 6.326 ( -1.697 4.211 4.264) 6.228 6.437 ( -4.860 4.194 -2.727) 6.975 6.564 ( -5.004 -4.927 -1.018) 7.096 6.616 ( -5.249 -2.415 -0.955) 5.856 6.869 ( -7.187 0.967 -7.313) 10.299 7.064 ( -12.480 -4.429 -1.644) 13.344 7.079 ( -0.841 7.314 -1.941) 7.613 7.256 ( -7.508 3.295 5.831) 10.061 7.607 ( -2.895 3.785 -2.313) 5.297 7.712 ( -3.078 -0.752 6.379) 7.123 7.769 ( 6.767 -0.529 4.845) 8.340 7.882 ( 3.177 2.327 0.064) 3.938 8.000 ( -6.185 4.368 -4.421) 8.768 8.133 ( 6.436 10.434 -0.257) 12.262 8.333 ( -1.014 -0.867 -5.611) 5.767 8.497 ( 4.415 3.994 0.669) 5.991 8.627 ( -5.397 4.188 0.690) 6.866 8.764 ( 0.701 4.379 4.195) 6.104 8.805 ( 2.860 -2.557 8.232) 9.082 8.876 ( 5.819 -0.265 6.891) 9.023 9.006 ( -2.631 -6.249 -1.840) 7.026 9.197 ( -9.840 -7.007 -4.611) 12.930 9.279 ( 2.445 -1.240 2.726) 3.867 9.312 ( -3.842 -1.384 -5.536) 6.879 9.370 ( -0.678 2.150 2.529) 3.388 9.471 ( -1.505 -3.859 -2.021) 4.609 9.610 ( 0.403 1.933 0.464) 2.028 9.760 ( -0.585 7.056 1.213) 7.184 9.794 ( -2.421 8.810 0.087) 9.137 9.921 ( -3.786 6.301 0.489) 7.367 9.963 ( -1.227 4.273 4.875) 6.598 10.120 ( -0.536 -4.695 3.579) 5.928 10.200 ( -2.133 -4.589 -1.114) 5.182 10.314 ( -1.948 -3.874 2.305) 4.910 10.381 ( 0.403 -0.087 -2.347) 2.383 10.420 ( 3.794 0.515 0.620) 3.879 10.514 ( 0.532 -1.049 -0.895) 1.478 10.590 ( -2.504 1.094 0.088) 2.734 10.631 ( -1.889 -5.174 -2.573) 6.079 10.691 ( -10.577 0.015 7.499) 12.966 10.800 ( -7.662 5.663 -2.347) 9.812 10.930 ( 0.128 -0.388 0.101) 0.421 10.999 ( -1.113 -6.468 -8.872) 11.036 11.040 ( 4.815 -2.725 3.785) 6.704 11.200 ( 0.899 3.267 -4.841) 5.909 11.348 ( -1.887 3.442 6.209) 7.345 11.375 ( -1.241 -3.154 1.528) 3.718 11.475 ( -3.314 6.473 -4.235) 8.416 11.525 ( 5.146 -0.623 -2.463) 5.739 11.550 ( 4.475 1.191 2.567) 5.294 11.694 ( 0.047 -1.291 -3.120) 3.377 11.807 ( 4.465 -0.441 1.998) 4.911 11.866 ( 0.122 -4.883 -2.879) 5.670 11.968 ( 1.793 -1.818 5.892) 6.421 12.077 ( 5.040 -4.945 -5.935) 9.224 12.147 ( 3.569 0.803 -5.473) 6.583 12.204 ( -2.727 0.255 0.982) 2.910 12.318 ( 8.665 -2.910 4.798) 10.323 12.455 ( 7.797 -3.828 -1.348) 8.790 12.504 ( 0.828 4.764 -1.178) 4.977 12.641 ( 12.866 -0.442 1.404) 12.949 12.658 ( 9.260 -6.168 -4.303) 11.929 12.712 ( 1.475 -0.878 4.064) 4.412 12.756 ( 10.603 -4.700 -1.093) 11.649 12.848 ( 11.886 -2.222 -1.688) 12.209 12.985 ( 3.052 -3.840 -0.201) 4.909 13.035 ( -2.137 1.565 2.074) 3.365 13.183 ( 4.954 -4.352 2.258) 6.970 13.320 ( 1.951 -5.322 -2.617) 6.243 13.380 ( 2.184 -6.360 -4.275) 7.968 13.594 ( 6.488 -1.735 -4.230) 7.937 13.649 ( 11.412 13.280 -9.494) 19.918 13.766 ( 3.520 8.598 -7.705) 12.070 13.814 ( 1.184 -2.000 -3.084) 3.862 14.424 ( -5.378 -11.337 -1.360) 12.621 14.613 ( -4.684 0.958 -0.154) 4.784 14.663 ( 2.487 -2.748 -2.015) 4.219 14.779 ( 3.303 -5.752 -2.546) 7.105 14.879 ( 3.567 2.685 4.259) 6.170 14.939 ( 2.915 -2.143 5.242) 6.370 15.034 ( -2.648 4.099 -3.237) 5.856 15.125 ( 6.879 -1.362 2.218) 7.355 15.252 ( 1.887 2.463 -8.112) 8.685 15.404 ( 3.850 0.308 -8.440) 9.282 15.829 ( -2.183 11.431 5.443) 12.848 15.919 ( -5.563 11.056 -0.550) 12.389 16.160 ( -5.972 0.138 8.940) 10.752 16.330 ( -6.496 3.425 -0.091) 7.345 16.618 ( -1.120 -6.612 5.390) 8.604 16.849 ( -13.247 -11.867 14.485) 22.938 16.875 ( 0.406 2.466 -2.938) 3.857 17.147 ( -2.630 -2.913 0.621) 3.973 17.977 ( -4.598 0.764 3.975) 6.126 18.146 ( -4.243 -3.651 2.025) 5.953 18.303 ( -5.708 4.320 -3.605) 8.015 18.381 ( -5.349 1.812 -2.845) 6.324 21.065 ( 0.930 1.692 -0.377) 1.968 21.124 ( 2.331 3.949 -1.646) 4.872 21.320 ( 2.926 -5.645 -1.224) 6.475 21.412 ( 8.140 -3.534 -3.953) 9.714 22.039 ( -1.347 4.720 4.414) 6.602 22.344 ( 0.492 0.888 -1.665) 1.949 22.425 ( 0.895 1.764 3.296) 3.844 22.639 ( 2.101 0.283 1.169) 2.421 22.877 ( 0.327 4.276 -3.147) 5.320 22.914 ( 0.796 8.161 -7.934) 11.410 23.314 ( -0.327 3.096 6.422) 7.137 23.415 ( 2.225 3.890 2.136) 4.964 23.685 ( 2.401 -1.245 4.439) 5.198 23.750 ( 1.382 -1.092 -0.490) 1.828 24.016 ( 1.322 -1.134 0.344) 1.775 24.140 ( 3.945 -11.637 6.931) 14.107 24.394 ( -3.077 0.465 -8.681) 9.222 24.434 ( 3.374 -0.240 -8.288) 8.951 24.763 ( -0.435 -1.286 2.426) 2.780 24.859 ( -4.268 -6.305 -2.550) 8.030 25.126 ( -13.168 -2.668 14.238) 19.576 25.380 ( -10.346 -7.570 -5.225) 13.843 26.247 ( -12.083 8.875 5.132) 15.846 26.471 ( -16.972 8.986 0.277) 19.206 26.801 ( 3.638 -0.039 0.212) 3.645 26.817 ( 2.519 1.042 0.611) 2.793 26.871 ( 8.107 -2.706 -1.217) 8.633 27.004 ( 1.649 0.899 -4.016) 4.434 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 19.891 9.313 3.491) 22.239 1.494 ( 5.238 7.376 -0.932) 9.095 1.683 ( 10.302 2.144 5.343) 11.802 1.904 ( 3.678 7.275 -1.606) 8.309 1.973 ( 2.286 2.337 -5.675) 6.550 2.110 ( 5.669 0.282 -1.760) 5.942 2.151 ( -2.879 -2.754 0.461) 4.011 2.230 ( 2.348 -0.823 -1.603) 2.959 2.287 ( -1.632 1.438 2.947) 3.663 2.371 ( 3.926 -4.317 4.441) 7.333 2.418 ( -3.400 5.450 7.832) 10.129 2.449 ( 0.586 1.613 1.182) 2.084 2.597 ( 2.116 -1.139 -3.157) 3.968 2.614 ( 4.898 -4.906 0.013) 6.933 2.682 ( 1.958 1.468 -1.816) 3.047 2.745 ( -7.322 -0.204 0.203) 7.327 2.789 ( 0.498 -2.624 -0.103) 2.673 2.836 ( -3.114 -2.174 -0.235) 3.805 2.876 ( 3.927 2.986 -1.883) 5.280 2.942 ( 11.010 0.665 0.138) 11.031 3.028 ( 5.071 -3.068 2.657) 6.495 3.072 ( -0.665 -1.860 0.655) 2.081 3.145 ( 4.615 1.085 -0.930) 4.831 3.193 ( 3.637 1.709 6.968) 8.044 3.292 ( 9.157 -0.679 1.419) 9.291 3.322 ( 0.966 1.610 3.741) 4.186 3.388 ( -1.977 -1.312 -2.971) 3.802 3.463 ( -0.385 0.202 3.459) 3.486 3.552 ( 0.830 -5.096 -0.525) 5.190 3.576 ( 2.581 0.892 2.978) 4.040 3.680 ( -0.536 4.435 -4.474) 6.323 3.716 ( 4.507 4.387 -6.101) 8.763 3.874 ( 0.683 3.796 2.230) 4.456 3.893 ( -4.885 -5.520 2.018) 7.642 3.908 ( -0.162 0.708 -6.641) 6.681 4.028 ( -2.127 -0.036 5.532) 5.927 4.145 ( -0.163 -0.420 -4.471) 4.494 4.172 ( -4.333 2.762 1.833) 5.455 4.314 ( 0.700 -4.135 -0.359) 4.209 4.443 ( -0.967 2.487 2.216) 3.468 4.471 ( -2.059 2.180 -1.859) 3.528 4.663 ( -2.757 -0.543 0.271) 2.823 4.740 ( -6.563 -3.335 -3.333) 8.080 4.819 ( -5.963 -0.765 -3.164) 6.793 4.832 ( -0.481 -4.602 1.685) 4.924 4.934 ( 0.915 5.558 -6.581) 8.662 5.054 ( -2.629 -5.444 -2.286) 6.463 5.196 ( -0.593 2.607 -0.293) 2.689 5.298 ( 0.110 2.362 -2.572) 3.493 5.411 ( -1.767 -3.071 -1.899) 4.020 5.525 ( 1.672 5.832 1.838) 6.339 5.550 ( 9.323 0.610 0.752) 9.373 5.832 ( 1.915 -3.388 0.130) 3.894 5.907 ( 4.585 -5.180 0.134) 6.919 6.023 ( -0.306 0.724 2.216) 2.351 6.075 ( -0.375 -0.814 2.197) 2.373 6.322 ( -5.510 3.749 3.328) 7.449 6.355 ( 0.353 4.649 -0.914) 4.751 6.390 ( -5.741 2.860 -6.830) 9.370 6.550 ( 3.325 -0.386 1.134) 3.534 6.746 ( -5.894 -0.872 1.343) 6.108 6.864 ( -5.910 -0.208 -2.294) 6.343 7.014 ( -8.978 7.412 0.312) 11.647 7.087 ( -5.692 3.040 0.654) 6.486 7.371 ( -16.200 -1.307 1.282) 16.303 7.524 ( -4.641 5.302 -2.162) 7.370 7.833 ( -5.316 -2.612 -2.227) 6.328 7.985 ( 3.010 -1.770 3.049) 4.636 8.195 ( 16.461 4.564 7.461) 18.640 8.278 ( 3.365 7.584 2.440) 8.648 8.429 ( 13.406 -0.798 -2.515) 13.663 8.597 ( 6.259 -0.483 -3.306) 7.095 8.653 ( 5.100 1.886 -2.348) 5.923 8.823 ( 2.959 -1.647 2.810) 4.401 8.863 ( -5.917 -1.116 -4.568) 7.558 8.933 ( 3.504 -5.029 6.921) 9.245 9.026 ( 2.786 -3.328 9.693) 10.621 9.059 ( -1.043 -1.751 0.941) 2.245 9.192 ( -2.751 -6.525 -2.691) 7.575 9.331 ( -1.647 -1.816 0.716) 2.554 9.381 ( -2.207 6.368 2.066) 7.049 9.459 ( 0.522 -5.369 -0.082) 5.395 9.547 ( -4.879 1.176 0.620) 5.056 9.664 ( -3.052 4.853 0.250) 5.738 9.770 ( -6.611 11.251 -2.726) 13.331 9.828 ( -1.018 10.009 1.936) 10.246 9.984 ( -1.793 -2.999 6.818) 7.661 10.033 ( -8.770 -6.280 4.102) 11.540 10.111 ( -4.638 -2.442 -0.633) 5.279 10.207 ( -8.713 -5.223 -2.759) 10.526 10.348 ( -8.948 1.692 0.338) 9.113 10.370 ( -1.983 -2.963 2.610) 4.418 10.459 ( -5.676 -3.528 -8.463) 10.784 10.499 ( 1.515 1.492 0.645) 2.222 10.591 ( -3.218 4.941 3.393) 6.803 10.636 ( 4.091 7.848 -0.884) 8.894 10.786 ( 2.081 0.240 1.357) 2.496 10.974 ( 2.989 1.317 4.693) 5.718 11.022 ( 6.706 -1.957 -7.618) 10.336 11.138 ( 0.335 1.304 -1.674) 2.148 11.198 ( 3.263 -1.582 -3.595) 5.106 11.314 ( -1.796 0.775 -5.263) 5.615 11.326 ( -1.593 2.297 2.774) 3.938 11.476 ( 2.230 0.022 5.284) 5.735 11.614 ( 2.911 -1.195 -5.632) 6.451 11.622 ( -0.262 -0.360 3.223) 3.253 11.697 ( 0.296 -2.299 1.106) 2.568 11.782 ( -1.576 -4.783 -4.127) 6.511 11.880 ( 1.022 -0.731 -1.161) 1.711 12.081 ( 3.966 2.228 3.681) 5.852 12.085 ( -1.070 -2.928 -1.400) 3.418 12.196 ( 2.776 3.715 -3.010) 5.529 12.236 ( 3.574 3.036 1.010) 4.797 12.367 ( 1.588 -4.364 -1.121) 4.777 12.582 ( -0.076 -5.227 -0.203) 5.232 12.652 ( 9.060 -2.154 -1.139) 9.382 12.700 ( 3.858 -2.616 -1.513) 4.901 12.750 ( 5.030 -0.849 -0.620) 5.139 12.852 ( 7.633 1.007 5.445) 9.430 12.910 ( 5.506 -1.348 -2.180) 6.073 13.057 ( 9.870 -1.380 2.213) 10.209 13.121 ( 4.422 -2.134 5.553) 7.413 13.223 ( 13.856 -2.482 2.365) 14.274 13.291 ( 1.833 -8.763 1.845) 9.141 13.353 ( 2.757 -6.546 -3.720) 8.019 13.397 ( 3.817 -7.292 -2.450) 8.588 13.643 ( -0.324 2.137 -5.432) 5.846 13.773 ( 5.554 5.708 -0.408) 7.974 13.811 ( 0.874 3.615 -1.633) 4.062 13.883 ( 8.772 5.523 -10.714) 14.907 14.319 ( -0.222 -7.833 -7.847) 11.090 14.503 ( -5.931 2.653 -2.199) 6.860 14.681 ( 2.430 -2.044 -2.809) 4.240 14.757 ( 0.837 -8.778 -5.326) 10.302 14.934 ( -0.816 -1.993 -4.039) 4.577 14.951 ( -1.451 -1.747 -0.788) 2.404 15.124 ( 8.454 5.203 3.379) 10.486 15.238 ( 3.803 2.726 1.749) 4.995 15.327 ( 3.815 0.767 -1.161) 4.061 15.490 ( 10.082 -2.877 -0.901) 10.523 15.739 ( -7.760 5.739 -1.496) 9.767 15.841 ( -2.650 9.931 5.094) 11.472 16.069 ( -7.604 1.722 6.672) 10.261 16.163 ( -9.236 3.355 -0.038) 9.826 16.577 ( -11.444 -5.812 11.350) 17.134 16.692 ( -4.243 -4.027 4.358) 7.295 16.867 ( 0.656 2.169 -2.635) 3.475 17.078 ( -3.407 -2.441 -1.483) 4.446 17.890 ( -5.975 0.777 3.633) 7.036 18.049 ( -5.484 -3.222 0.162) 6.363 18.158 ( -6.337 3.976 -1.145) 7.568 18.245 ( -5.553 1.120 -2.629) 6.245 21.076 ( 1.373 1.181 -1.105) 2.121 21.186 ( 3.328 2.706 -1.753) 4.634 21.356 ( 1.902 -5.673 2.662) 6.548 21.595 ( 9.911 -6.755 -2.637) 12.281 22.039 ( -1.349 5.543 4.187) 7.076 22.336 ( 0.552 1.606 -2.960) 3.412 22.467 ( 0.854 3.322 4.081) 5.331 22.712 ( 3.130 4.033 2.982) 5.913 22.860 ( -0.544 -0.532 -4.063) 4.133 22.904 ( 1.583 5.301 -1.978) 5.875 23.325 ( -0.953 6.057 2.002) 6.450 23.487 ( 2.759 4.691 1.441) 5.629 23.745 ( 2.217 -1.944 -1.354) 3.245 23.800 ( 3.208 -4.940 1.531) 6.086 24.003 ( -1.280 -5.091 -4.119) 6.673 24.204 ( 1.705 -3.176 -2.866) 4.605 24.366 ( 1.072 -5.617 0.686) 5.759 24.464 ( 1.739 -3.110 -3.613) 5.074 24.753 ( -3.384 -0.633 -3.545) 4.942 24.768 ( -0.065 0.569 2.511) 2.575 24.984 ( -7.429 1.818 12.469) 14.627 25.165 ( -6.324 -5.606 -2.481) 8.808 25.955 ( -18.594 8.764 4.190) 20.979 26.100 ( -17.928 7.136 -2.173) 19.418 26.883 ( 3.826 0.104 -0.431) 3.852 26.888 ( 3.427 -0.279 0.867) 3.546 26.987 ( 3.264 -2.053 0.984) 3.980 27.044 ( 3.922 -1.722 -2.694) 5.060 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 5.449 4.539 3.042) 7.717 1.780 ( 7.136 -1.093 -4.485) 8.499 1.823 ( 8.077 0.991 4.014) 9.074 1.966 ( 0.424 -0.123 3.373) 3.402 2.047 ( -2.751 1.836 2.674) 4.253 2.120 ( -0.319 4.558 -0.747) 4.630 2.152 ( -3.754 1.473 7.784) 8.767 2.203 ( 3.444 2.930 -0.413) 4.541 2.273 ( 1.920 2.821 2.513) 4.238 2.370 ( -5.363 0.799 -3.790) 6.616 2.417 ( -1.330 1.023 -4.024) 4.360 2.483 ( -1.225 2.454 4.298) 5.099 2.548 ( 1.697 1.760 5.257) 5.798 2.583 ( -2.145 1.364 -3.539) 4.357 2.664 ( 2.540 -3.899 -3.049) 5.563 2.744 ( 2.294 -5.219 -0.011) 5.701 2.805 ( 2.190 -6.448 1.729) 7.026 2.857 ( 2.895 -5.772 -1.082) 6.547 2.917 ( 0.013 -2.571 -1.974) 3.241 3.047 ( 0.938 -4.052 2.210) 4.710 3.115 ( 3.830 1.978 0.699) 4.367 3.146 ( 2.660 -1.223 0.470) 2.965 3.208 ( -6.221 -3.011 0.557) 6.934 3.294 ( 4.330 3.189 -1.691) 5.637 3.305 ( -0.721 -0.475 3.104) 3.221 3.430 ( 3.303 6.573 0.466) 7.371 3.447 ( 1.047 -0.758 2.574) 2.880 3.452 ( 2.796 2.293 0.607) 3.667 3.550 ( -2.684 1.470 -0.747) 3.151 3.628 ( -1.940 -0.375 -0.346) 2.006 3.658 ( 2.091 -1.278 -1.192) 2.725 3.783 ( 2.044 0.246 -1.360) 2.468 3.792 ( 2.119 -0.737 -0.986) 2.451 3.852 ( -2.590 -1.090 -1.853) 3.365 3.925 ( 0.744 7.646 0.301) 7.688 4.035 ( -4.931 1.650 3.979) 6.547 4.112 ( -0.274 5.851 0.805) 5.913 4.173 ( 0.103 -4.078 0.667) 4.133 4.291 ( 2.474 -1.575 -0.870) 3.059 4.399 ( -3.436 0.299 -2.958) 4.544 4.476 ( 0.143 5.661 1.553) 5.871 4.590 ( -2.553 -1.149 2.237) 3.583 4.653 ( -0.443 -1.110 4.945) 5.088 4.685 ( -1.317 -2.941 -2.567) 4.119 4.857 ( 1.748 -2.665 2.154) 3.847 4.909 ( 0.683 0.825 -4.457) 4.583 5.020 ( -0.096 -3.822 1.091) 3.976 5.187 ( 0.661 4.083 -4.666) 6.235 5.286 ( -0.472 -5.427 -1.304) 5.601 5.362 ( -1.792 -0.944 -0.440) 2.073 5.557 ( 0.942 8.858 -4.103) 9.807 5.690 ( 3.359 5.535 -0.089) 6.475 5.881 ( 2.964 0.737 -0.992) 3.212 5.949 ( -5.060 -3.966 -4.846) 8.051 6.004 ( -3.779 0.658 0.266) 3.845 6.057 ( 3.903 -0.304 0.614) 3.962 6.203 ( -4.028 3.960 1.653) 5.886 6.247 ( 2.094 5.838 -2.803) 6.807 6.410 ( -4.720 2.996 3.908) 6.821 6.653 ( -0.710 0.931 2.695) 2.938 6.690 ( 5.278 0.038 -0.730) 5.328 6.744 ( -5.674 5.025 2.394) 7.948 6.886 ( -1.597 -1.388 1.833) 2.799 7.052 ( -0.088 2.207 -5.128) 5.583 7.158 ( -4.127 -2.816 -0.652) 5.039 7.435 ( -1.239 6.133 -5.992) 8.663 7.746 ( -0.179 -4.488 -0.244) 4.499 7.992 ( -3.283 -2.234 0.348) 3.986 8.320 ( 0.287 5.811 2.311) 6.260 8.500 ( 3.339 4.732 2.611) 6.353 8.611 ( 2.335 -1.996 3.158) 4.406 8.673 ( 2.117 -0.828 -2.309) 3.240 8.693 ( 7.000 -1.508 0.622) 7.187 8.884 ( 6.815 -1.907 -4.674) 8.481 8.908 ( 2.545 -3.045 3.299) 5.160 9.028 ( 1.825 2.491 4.679) 5.606 9.058 ( -2.607 -2.798 2.802) 4.741 9.119 ( 1.805 -2.271 5.134) 5.897 9.174 ( 0.067 -7.461 4.833) 8.890 9.217 ( -5.174 -2.948 -1.368) 6.110 9.376 ( -2.149 2.174 -1.146) 3.265 9.410 ( -0.023 -2.847 1.927) 3.438 9.544 ( 0.247 1.767 2.268) 2.886 9.616 ( -2.634 0.808 3.276) 4.280 9.671 ( -1.387 7.752 -1.508) 8.018 9.797 ( -2.123 8.577 -0.559) 8.854 9.884 ( -7.297 -3.827 2.795) 8.700 9.937 ( -5.092 0.181 0.250) 5.101 10.048 ( -1.897 -3.933 0.304) 4.377 10.061 ( -0.158 -1.907 1.900) 2.696 10.268 ( -2.375 -1.143 5.565) 6.157 10.276 ( -4.090 -3.148 -4.770) 7.028 10.402 ( 2.597 -3.582 0.747) 4.487 10.521 ( 0.206 8.730 0.150) 8.734 10.602 ( 1.781 7.804 3.577) 8.768 10.714 ( 2.699 6.339 1.219) 6.997 10.816 ( -0.981 0.871 2.048) 2.432 10.954 ( -6.289 3.140 -3.617) 7.906 11.095 ( 1.969 -0.885 -1.430) 2.589 11.125 ( 2.972 3.725 -7.117) 8.565 11.222 ( -1.545 0.131 -0.478) 1.622 11.275 ( 4.566 -5.727 -1.357) 7.450 11.376 ( 2.208 -2.062 -0.134) 3.025 11.520 ( -0.707 -0.101 2.687) 2.780 11.592 ( -1.077 -1.680 1.669) 2.602 11.662 ( 0.408 -1.069 -2.583) 2.825 11.679 ( 0.675 -1.181 -4.252) 4.465 11.743 ( 0.574 -4.027 -6.228) 7.438 11.895 ( 2.982 -6.315 -3.573) 7.844 12.038 ( -4.706 4.732 -0.018) 6.674 12.103 ( -2.173 -0.647 -2.518) 3.388 12.161 ( 0.582 2.148 -4.293) 4.836 12.324 ( 1.222 1.726 10.035) 10.256 12.464 ( 5.796 -1.789 -3.498) 7.002 12.563 ( 2.099 -7.167 3.795) 8.377 12.680 ( -1.089 1.870 -2.356) 3.199 12.804 ( 1.966 -2.336 5.925) 6.665 12.951 ( -1.534 -0.323 8.531) 8.674 12.978 ( 8.312 0.006 0.413) 8.322 13.046 ( 6.274 -4.168 2.445) 7.919 13.158 ( -0.765 -7.462 -1.304) 7.613 13.233 ( -2.579 -6.262 -0.020) 6.773 13.281 ( 6.328 -1.021 3.491) 7.299 13.375 ( 4.078 -5.597 -2.207) 7.269 13.448 ( -1.029 0.738 -3.805) 4.010 13.458 ( 2.451 -2.568 -2.379) 4.274 13.612 ( 6.136 3.517 -1.982) 7.345 13.746 ( -2.838 1.608 -3.721) 4.949 13.906 ( 1.761 3.545 1.485) 4.228 13.943 ( 4.995 8.245 -1.042) 9.697 14.304 ( -1.007 1.662 -4.984) 5.350 14.384 ( 2.770 1.198 -15.831) 16.116 14.684 ( -0.433 -8.154 -3.924) 9.059 14.758 ( -0.045 -7.479 -2.689) 7.947 14.881 ( -3.087 -4.684 -1.413) 5.785 14.937 ( 4.703 -5.333 -5.477) 8.976 15.285 ( -0.798 0.581 -1.855) 2.102 15.294 ( 3.718 1.719 -0.550) 4.133 15.368 ( 3.282 8.846 8.031) 12.390 15.623 ( -0.106 0.249 0.856) 0.898 15.742 ( 8.662 -1.551 2.998) 9.296 15.829 ( -1.569 6.576 3.581) 7.650 15.927 ( -6.803 -0.349 -0.895) 6.871 16.012 ( -6.022 4.280 3.049) 7.992 16.386 ( -12.469 0.490 12.377) 17.575 16.681 ( -0.935 -5.105 2.619) 5.813 16.870 ( 1.136 1.773 -1.986) 2.895 17.012 ( -1.163 -1.764 -3.121) 3.769 17.805 ( -3.843 0.868 2.160) 4.493 17.955 ( -2.618 -2.383 -1.584) 3.878 18.060 ( -2.640 3.710 0.462) 4.577 18.155 ( -1.448 0.907 -1.921) 2.571 21.105 ( 1.504 0.868 -0.006) 1.737 21.219 ( 1.334 1.731 -2.654) 3.438 21.427 ( 1.448 -5.447 7.298) 9.221 21.752 ( 6.150 -9.969 0.114) 11.714 22.040 ( -1.183 6.791 4.210) 8.077 22.336 ( 1.210 1.815 -2.647) 3.430 22.508 ( 0.180 3.894 5.164) 6.470 22.764 ( -0.732 4.250 1.585) 4.594 22.831 ( 0.978 -1.194 -1.653) 2.262 22.942 ( 2.317 3.579 1.570) 4.543 23.304 ( -1.323 7.278 -1.447) 7.537 23.511 ( -0.345 6.410 -1.942) 6.707 23.744 ( 0.685 -7.002 -9.521) 11.838 23.843 ( -0.881 -2.415 -4.014) 4.767 23.965 ( 0.588 -6.296 -0.110) 6.324 24.223 ( 2.680 4.351 -8.970) 10.323 24.342 ( -5.187 -12.033 8.032) 15.369 24.444 ( 1.541 -3.157 -3.724) 5.120 24.660 ( -4.914 0.929 2.630) 5.650 24.829 ( 4.152 -1.692 -0.484) 4.509 25.007 ( 0.455 4.101 6.635) 7.813 25.139 ( 3.498 0.461 1.374) 3.786 25.611 ( -16.133 8.177 3.757) 18.473 25.793 ( -7.637 2.932 -4.012) 9.111 26.934 ( 0.982 -0.622 0.506) 1.268 26.947 ( 2.117 -0.587 -0.370) 2.228 27.027 ( 0.216 -0.729 1.124) 1.357 27.099 ( 2.403 -2.072 -1.511) 3.515 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -4.698 3.938 4.085) 7.366 1.728 ( -14.932 6.695 0.795) 16.383 1.789 ( -6.790 1.668 2.052) 7.287 2.000 ( -0.912 -0.872 0.507) 1.360 2.028 ( -0.220 -1.765 1.849) 2.566 2.059 ( -1.114 -0.877 2.122) 2.552 2.116 ( -1.411 2.562 -1.941) 3.510 2.198 ( 0.082 0.187 1.462) 1.476 2.254 ( 2.573 3.521 1.879) 4.749 2.443 ( -0.138 1.214 -0.905) 1.521 2.490 ( -0.591 1.171 -1.085) 1.702 2.538 ( 4.536 -1.917 8.147) 9.519 2.564 ( 6.437 0.005 -3.046) 7.121 2.617 ( 4.417 -0.185 4.795) 6.522 2.703 ( 0.860 -2.362 -0.745) 2.622 2.766 ( 1.055 -2.456 1.751) 3.195 2.798 ( -1.589 -3.549 -1.288) 4.096 2.902 ( -0.085 -3.657 0.762) 3.737 2.946 ( -0.292 -1.454 -0.130) 1.489 3.007 ( -8.061 0.147 -2.816) 8.540 3.035 ( -9.279 -0.728 -2.395) 9.611 3.134 ( -1.847 0.967 1.738) 2.714 3.157 ( -0.500 -0.398 -2.098) 2.193 3.260 ( -5.631 -0.136 1.829) 5.922 3.316 ( 0.618 3.970 -2.961) 4.991 3.402 ( -6.824 -1.709 5.106) 8.692 3.411 ( -6.838 0.437 3.572) 7.727 3.441 ( -2.440 -0.840 -2.642) 3.694 3.519 ( -0.704 -0.402 -2.013) 2.170 3.569 ( 1.736 3.658 -5.607) 6.917 3.713 ( 4.887 -2.219 0.565) 5.397 3.750 ( -2.002 2.293 2.673) 4.051 3.813 ( -1.225 -1.130 3.418) 3.803 3.870 ( 3.047 3.374 -0.269) 4.554 3.977 ( 0.764 2.341 -0.561) 2.525 3.988 ( 3.563 3.147 1.322) 4.935 4.088 ( 0.670 4.346 0.680) 4.449 4.141 ( -2.815 -1.286 -6.858) 7.524 4.360 ( -1.120 -3.831 3.044) 5.020 4.398 ( 6.547 -0.180 2.505) 7.012 4.460 ( 2.178 1.740 -0.566) 2.845 4.648 ( 3.844 -1.562 -0.753) 4.218 4.687 ( -1.425 -3.868 3.198) 5.217 4.775 ( 8.005 1.499 4.608) 9.358 4.920 ( 3.776 -6.837 2.115) 8.092 4.965 ( 5.176 -2.023 -0.945) 5.637 5.040 ( 1.272 1.212 -1.271) 2.168 5.183 ( 0.850 1.952 -3.408) 4.018 5.258 ( -4.922 2.905 -2.558) 6.262 5.333 ( 4.081 0.943 1.599) 4.483 5.504 ( -3.981 3.373 -2.637) 5.847 5.591 ( -8.397 4.607 -4.742) 10.687 5.836 ( -3.399 2.070 -4.863) 6.283 5.910 ( 1.116 3.966 -2.522) 4.830 5.963 ( 0.256 1.522 0.636) 1.669 6.085 ( 2.879 -2.483 -1.529) 4.097 6.244 ( 2.675 -0.302 0.423) 2.725 6.302 ( 2.446 6.893 -1.061) 7.391 6.464 ( 4.200 -1.388 6.954) 8.241 6.582 ( -4.159 1.130 0.160) 4.313 6.734 ( 0.146 0.390 0.773) 0.878 6.789 ( 9.133 4.988 2.327) 10.663 6.859 ( -2.194 -2.729 -0.510) 3.539 7.057 ( 4.111 5.986 -0.193) 7.265 7.121 ( -1.546 -0.926 -3.182) 3.657 7.402 ( 2.557 6.683 -7.225) 10.169 7.846 ( 6.425 -5.943 3.756) 9.524 7.899 ( -1.732 -2.695 -3.655) 4.860 8.335 ( -0.685 6.368 3.361) 7.233 8.415 ( -7.921 3.306 0.354) 8.591 8.619 ( -4.096 -1.667 -0.417) 4.442 8.682 ( -0.993 -2.304 -0.436) 2.546 8.790 ( -4.158 -2.824 -0.376) 5.041 8.882 ( -2.884 0.203 2.373) 3.741 8.960 ( -1.071 3.051 2.163) 3.890 9.010 ( 1.731 3.029 3.603) 5.015 9.018 ( -5.625 -7.525 2.829) 9.812 9.181 ( -3.603 -7.066 4.115) 8.935 9.208 ( 6.456 -5.940 4.581) 9.897 9.249 ( 3.360 -1.518 4.774) 6.032 9.347 ( 1.572 1.437 -0.797) 2.273 9.448 ( 1.232 -3.204 1.022) 3.581 9.528 ( -5.126 3.266 1.167) 6.189 9.600 ( 3.799 3.940 -0.231) 5.478 9.707 ( 1.077 0.247 0.934) 1.447 9.740 ( -2.176 5.099 -2.730) 6.179 9.808 ( -0.597 -0.843 4.082) 4.211 9.926 ( 5.110 -0.379 -0.389) 5.139 10.060 ( 1.678 2.164 1.410) 3.080 10.151 ( 6.315 -3.361 2.537) 7.590 10.213 ( 0.021 -6.009 -5.820) 8.365 10.279 ( 0.167 1.479 7.042) 7.198 10.473 ( 0.884 4.583 -0.018) 4.667 10.573 ( 4.764 0.482 4.489) 6.563 10.657 ( 0.259 6.100 4.526) 7.600 10.747 ( 0.221 6.217 4.333) 7.581 10.770 ( -3.086 3.492 -5.162) 6.954 10.853 ( -0.100 7.309 -0.781) 7.351 11.027 ( -1.855 -4.807 -7.875) 9.411 11.118 ( 2.250 -0.118 -8.027) 8.337 11.276 ( -0.593 -0.790 3.506) 3.642 11.307 ( -1.906 -3.773 -1.594) 4.517 11.400 ( 2.532 1.621 -1.098) 3.201 11.494 ( -4.889 -0.372 1.142) 5.034 11.527 ( -3.636 1.199 2.875) 4.788 11.601 ( -1.655 -4.000 -2.896) 5.208 11.726 ( 6.368 -2.057 -6.302) 9.192 11.764 ( 4.229 -1.257 -3.301) 5.510 11.892 ( -4.280 3.908 -6.204) 8.490 11.951 ( 1.716 -4.206 -0.508) 4.571 12.055 ( -0.954 -6.265 -3.293) 7.142 12.208 ( 4.581 -0.001 -1.541) 4.834 12.387 ( -3.207 -1.273 13.158) 13.603 12.494 ( 0.872 1.438 -5.029) 5.302 12.580 ( -1.588 -0.651 -1.697) 2.414 12.738 ( 3.409 -1.665 6.704) 7.703 12.844 ( -3.604 -1.912 5.053) 6.495 12.866 ( -10.279 -1.721 6.318) 12.188 12.934 ( -8.949 -0.139 -0.768) 8.983 13.065 ( -5.673 -1.830 -0.175) 5.963 13.137 ( -3.183 -6.180 -0.811) 6.999 13.216 ( -3.924 -1.479 2.842) 5.066 13.243 ( 0.010 -2.453 -0.123) 2.457 13.404 ( -0.435 -6.245 -2.859) 6.882 13.425 ( -1.251 -4.971 -0.857) 5.197 13.581 ( 0.822 0.687 1.821) 2.113 13.631 ( 3.198 3.342 -0.643) 4.670 13.725 ( 2.633 0.016 -6.400) 6.921 13.864 ( -3.887 7.224 -2.066) 8.460 14.099 ( 6.622 5.747 5.561) 10.383 14.265 ( 2.887 3.744 -4.890) 6.802 14.348 ( 2.800 2.962 -17.782) 18.243 14.596 ( -5.404 0.857 -7.946) 9.648 14.707 ( -0.332 -12.630 -3.549) 13.124 14.873 ( 3.186 -8.525 -2.159) 9.353 15.037 ( 7.159 -1.709 -3.045) 7.966 15.201 ( -4.556 -5.382 -1.955) 7.317 15.326 ( -2.591 -0.578 5.221) 5.857 15.503 ( 4.695 6.050 4.641) 8.955 15.628 ( -6.763 -4.414 -2.822) 8.555 15.742 ( 4.231 -0.578 4.282) 6.047 15.821 ( -2.187 3.184 1.592) 4.178 15.932 ( -2.446 5.963 0.137) 6.446 16.026 ( 8.829 2.586 2.097) 9.436 16.288 ( -5.371 2.532 14.765) 15.914 16.671 ( -1.686 -5.252 2.491) 6.052 16.881 ( 0.990 1.939 -1.662) 2.739 17.003 ( 2.334 -1.401 -3.671) 4.570 17.780 ( 0.670 0.925 0.953) 1.487 17.942 ( 2.075 -3.061 -0.923) 3.811 18.072 ( 3.776 4.273 0.036) 5.702 18.169 ( 3.721 1.053 -1.265) 4.069 21.125 ( -0.054 0.879 0.944) 1.291 21.200 ( -1.353 2.389 -3.053) 4.106 21.494 ( -0.310 -6.151 8.921) 10.841 21.836 ( 1.439 -14.354 1.805) 14.539 22.044 ( -1.371 7.456 4.551) 8.842 22.345 ( 1.149 1.976 -2.249) 3.206 22.535 ( -1.215 1.386 5.432) 5.737 22.724 ( -2.233 -1.658 -1.494) 3.157 22.867 ( 1.697 4.687 2.390) 5.528 23.022 ( 3.888 3.980 3.528) 6.588 23.254 ( -2.263 6.838 -2.131) 7.511 23.470 ( -1.876 7.726 -2.904) 8.465 23.644 ( -2.463 -6.532 -12.541) 14.353 23.748 ( -1.655 0.225 -11.135) 11.259 23.947 ( -4.165 -1.706 1.687) 4.807 24.172 ( -3.352 -8.662 2.222) 9.550 24.332 ( 1.025 3.949 -8.452) 9.385 24.503 ( 5.027 -2.017 -0.857) 5.484 24.630 ( -0.973 0.023 7.789) 7.850 24.882 ( -1.355 1.850 2.245) 3.209 25.012 ( 1.808 -5.230 -0.809) 5.592 25.135 ( -9.392 -0.532 5.950) 11.131 25.536 ( 10.271 12.010 0.143) 15.803 25.830 ( 11.768 1.715 -1.843) 12.035 26.925 ( -2.005 -0.365 0.087) 2.040 26.964 ( -0.607 -1.344 0.230) 1.492 27.011 ( -2.216 0.020 0.437) 2.259 27.117 ( 0.267 -2.463 -0.797) 2.602 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -23.963 10.611 0.990) 26.226 1.402 ( -19.544 16.135 2.387) 25.456 1.744 ( -1.191 2.483 -1.500) 3.136 1.918 ( -0.790 0.904 -1.460) 1.890 2.027 ( 0.162 -2.536 -4.877) 5.500 2.097 ( -6.466 -0.355 2.169) 6.829 2.143 ( -2.339 0.151 1.871) 2.999 2.219 ( -7.322 -0.725 2.717) 7.843 2.250 ( -3.447 -3.416 7.515) 8.946 2.303 ( -9.647 3.993 0.863) 10.476 2.389 ( -4.276 -0.303 -2.361) 4.894 2.548 ( -8.970 2.803 -2.895) 9.833 2.593 ( -2.451 2.022 -1.843) 3.673 2.655 ( -4.053 -1.214 5.956) 7.306 2.701 ( -3.254 -3.131 3.393) 5.648 2.734 ( 0.472 -1.078 -2.028) 2.344 2.765 ( -0.023 -4.735 1.760) 5.051 2.828 ( -2.447 0.804 -0.749) 2.682 2.876 ( 5.238 -2.235 -2.198) 6.105 2.947 ( -2.391 2.205 -0.287) 3.265 2.992 ( -0.193 -0.664 1.117) 1.314 3.063 ( 4.932 1.418 0.682) 5.177 3.125 ( -4.397 0.279 1.191) 4.564 3.195 ( 0.144 3.791 0.893) 3.898 3.236 ( -8.330 3.436 1.786) 9.186 3.330 ( -2.558 -0.189 -0.023) 2.566 3.395 ( -1.679 -3.201 -2.929) 4.652 3.426 ( -3.183 -3.028 -2.396) 5.004 3.485 ( 3.937 -3.061 1.561) 5.226 3.553 ( -1.621 0.286 -2.571) 3.053 3.640 ( -2.111 -0.139 -1.932) 2.865 3.767 ( 0.867 7.453 0.778) 7.543 3.897 ( 0.409 -0.026 3.244) 3.270 3.930 ( 0.569 1.205 -2.355) 2.706 3.973 ( 0.317 2.889 1.259) 3.167 4.047 ( 4.930 -3.226 0.678) 5.931 4.151 ( 4.304 -6.703 0.940) 8.021 4.201 ( 6.895 3.247 -0.731) 7.656 4.349 ( 0.535 -1.957 1.455) 2.497 4.461 ( -2.289 0.223 5.111) 5.605 4.576 ( 5.116 -3.425 -0.921) 6.225 4.647 ( 0.095 -5.945 -2.180) 6.332 4.742 ( 2.442 0.689 -0.030) 2.538 4.933 ( 0.723 -1.755 -3.284) 3.793 4.967 ( 4.824 -1.610 -0.393) 5.100 5.015 ( 3.806 -7.741 -2.308) 8.930 5.086 ( 1.191 1.503 1.835) 2.654 5.148 ( -2.022 3.833 -4.136) 5.990 5.228 ( 3.446 6.298 0.073) 7.180 5.359 ( -2.202 2.987 -5.381) 6.536 5.437 ( -0.481 1.377 1.805) 2.321 5.482 ( 0.215 3.415 -0.869) 3.531 5.759 ( -1.598 0.319 -0.275) 1.653 5.881 ( -3.430 -1.712 -3.676) 5.311 5.948 ( -2.337 4.695 1.042) 5.346 6.132 ( 2.068 -1.342 1.137) 2.715 6.235 ( -10.808 -1.281 -4.859) 11.919 6.334 ( 4.830 -1.905 5.400) 7.491 6.438 ( 2.130 5.187 -0.945) 5.686 6.682 ( 4.352 -0.931 2.373) 5.044 6.853 ( 6.663 2.788 -4.718) 8.627 6.865 ( 9.182 -0.041 5.387) 10.646 6.973 ( 7.293 2.820 -0.894) 7.870 7.048 ( -0.422 2.584 -2.103) 3.358 7.283 ( 15.328 8.290 2.030) 17.544 7.488 ( 10.087 3.056 -2.175) 10.762 7.858 ( 3.146 -2.657 -3.405) 5.343 8.002 ( 0.045 -4.095 4.218) 5.879 8.230 ( -9.922 4.425 4.290) 11.680 8.323 ( -4.804 7.581 4.190) 9.905 8.481 ( -7.876 -0.903 -0.773) 7.965 8.561 ( -9.503 0.193 -2.172) 9.750 8.649 ( -4.527 1.774 -1.556) 5.105 8.821 ( -2.983 3.224 3.158) 5.410 8.924 ( -6.279 1.039 5.774) 8.593 8.957 ( -3.797 -9.803 5.180) 11.719 9.079 ( -1.033 -4.155 0.331) 4.294 9.187 ( 6.001 -1.870 2.145) 6.642 9.267 ( -0.072 -7.841 -0.814) 7.883 9.316 ( -7.388 -0.411 0.797) 7.442 9.393 ( 3.343 1.936 4.490) 5.923 9.458 ( 4.993 1.138 1.268) 5.276 9.565 ( 4.832 0.909 2.322) 5.437 9.635 ( 0.443 0.820 -4.366) 4.464 9.695 ( 0.766 0.446 1.633) 1.858 9.760 ( 3.951 -0.928 1.710) 4.404 9.863 ( 3.857 4.709 0.432) 6.102 10.067 ( 5.136 -3.693 0.831) 6.380 10.092 ( 2.588 5.781 -3.592) 7.281 10.206 ( 2.557 -4.343 0.088) 5.041 10.317 ( 6.909 -2.986 2.833) 8.042 10.429 ( 10.679 0.815 6.165) 12.357 10.438 ( -2.134 5.559 -3.927) 7.133 10.610 ( -6.929 0.376 1.382) 7.076 10.646 ( -4.428 2.214 -3.697) 6.179 10.713 ( 3.975 -1.689 2.492) 4.986 10.800 ( 0.355 10.178 5.164) 11.419 10.913 ( 3.395 2.687 -0.617) 4.373 10.939 ( -2.401 -2.612 -4.466) 5.704 11.109 ( -0.943 -1.398 -8.721) 8.882 11.189 ( 2.152 -0.189 -3.712) 4.295 11.307 ( 0.113 1.444 3.569) 3.851 11.401 ( -1.249 -3.207 -0.874) 3.551 11.430 ( -2.938 -0.290 2.381) 3.793 11.512 ( 1.972 1.554 0.607) 2.583 11.614 ( 3.804 -1.153 -1.591) 4.281 11.755 ( -2.486 1.871 -1.646) 3.520 11.823 ( -2.455 1.487 -3.696) 4.680 11.878 ( -0.860 -7.657 -0.241) 7.709 11.909 ( 8.206 1.968 -1.424) 8.558 12.063 ( 1.440 -3.510 -1.979) 4.279 12.243 ( -4.633 -9.257 3.251) 10.850 12.372 ( 0.798 3.889 -1.228) 4.156 12.468 ( -2.446 0.665 0.943) 2.705 12.551 ( -4.013 -6.069 -0.723) 7.312 12.618 ( -9.405 1.211 -1.756) 9.643 12.629 ( -17.109 2.383 -2.660) 17.477 12.740 ( -9.506 2.892 3.593) 10.566 12.785 ( -3.120 0.987 6.320) 7.117 12.940 ( -12.950 -2.314 -4.889) 14.034 13.007 ( -3.805 -3.502 -0.585) 5.204 13.175 ( -4.663 -8.633 1.542) 9.932 13.235 ( -2.444 3.615 4.245) 6.088 13.312 ( -6.203 -4.489 5.680) 9.534 13.384 ( -0.919 -6.178 -1.420) 6.405 13.534 ( -1.520 -3.325 3.452) 5.028 13.664 ( -3.553 -0.129 -6.915) 7.775 13.756 ( 3.890 1.739 -3.424) 5.466 13.793 ( -1.235 2.474 -4.658) 5.417 14.194 ( 0.174 0.004 -6.193) 6.195 14.294 ( 6.147 3.376 -7.946) 10.598 14.373 ( 6.495 4.932 -2.983) 8.684 14.483 ( 0.213 3.040 -5.048) 5.897 14.651 ( -2.816 -13.432 -8.202) 15.988 14.927 ( 0.554 -12.322 1.017) 12.376 15.050 ( -6.684 -15.563 -5.602) 17.840 15.169 ( 4.651 9.920 5.023) 12.053 15.275 ( -4.635 -0.034 2.899) 5.467 15.437 ( -6.082 -1.165 -3.066) 6.910 15.672 ( 6.005 4.095 2.450) 7.670 15.715 ( -4.636 3.124 -9.301) 10.852 15.908 ( 6.579 -9.066 3.911) 11.865 15.922 ( 0.226 12.280 4.268) 13.002 16.208 ( 7.939 5.417 2.126) 9.844 16.360 ( 1.303 -0.773 19.532) 19.591 16.654 ( -1.665 -4.923 3.836) 6.459 16.888 ( 0.867 2.308 -1.874) 3.097 17.044 ( 3.668 -1.500 -3.245) 5.122 17.843 ( 4.465 0.536 1.311) 4.684 18.013 ( 4.724 -3.841 0.399) 6.102 18.199 ( 8.233 3.941 -1.100) 9.194 18.273 ( 6.877 2.078 -1.127) 7.272 21.100 ( -2.726 1.436 -1.019) 3.245 21.148 ( -1.542 2.640 -0.965) 3.206 21.517 ( -2.448 -5.847 6.335) 8.962 21.818 ( -4.672 -20.338 0.052) 20.868 22.040 ( -1.717 6.697 4.282) 8.133 22.347 ( 0.381 0.918 -2.612) 2.795 22.509 ( -4.510 -1.887 3.492) 6.008 22.667 ( -2.445 -4.280 -0.893) 5.009 22.937 ( 3.182 8.348 3.736) 9.684 23.100 ( 1.604 2.874 -3.730) 4.975 23.236 ( 1.260 5.614 7.325) 9.314 23.374 ( -4.071 3.191 -9.541) 10.853 23.536 ( -1.299 -1.875 -6.881) 7.249 23.713 ( 2.890 5.122 1.460) 6.060 23.872 ( -1.628 4.064 -1.072) 4.508 24.120 ( -2.816 -4.056 0.354) 4.950 24.232 ( -3.129 7.345 -11.132) 13.698 24.605 ( 4.741 -1.602 0.929) 5.090 24.663 ( -1.618 3.731 7.003) 8.098 24.872 ( 1.075 -2.709 1.275) 3.181 24.904 ( -9.390 -0.878 2.477) 9.751 25.224 ( 12.403 -8.743 1.138) 15.217 25.836 ( 16.291 13.008 0.319) 20.850 26.125 ( 16.189 4.343 -0.587) 16.772 26.862 ( -3.896 0.060 -0.178) 3.900 26.916 ( -4.568 -0.817 1.123) 4.774 26.957 ( -2.709 -0.718 -0.768) 2.906 27.108 ( -0.318 -3.340 -0.680) 3.423 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -18.365 18.440 5.935) 26.694 1.019 ( -20.942 20.576 8.427) 30.544 1.598 ( -29.096 30.645 17.665) 45.801 1.716 ( 2.220 -0.190 -10.361) 10.598 1.892 ( -2.870 -0.123 -1.257) 3.136 1.999 ( -0.703 -5.519 1.360) 5.728 2.035 ( -4.750 -5.920 -0.524) 7.608 2.108 ( -0.972 -0.372 4.620) 4.736 2.236 ( -5.089 2.886 -0.455) 5.868 2.324 ( 1.857 0.381 2.456) 3.102 2.343 ( -4.080 -3.909 -2.855) 6.331 2.444 ( -1.590 -1.366 -0.925) 2.291 2.501 ( -1.650 0.143 -2.232) 2.779 2.537 ( -4.179 2.058 -0.100) 4.660 2.657 ( -3.359 -1.225 -1.081) 3.735 2.697 ( -3.384 -2.618 -0.502) 4.308 2.764 ( -0.625 -1.130 1.544) 2.013 2.831 ( 2.344 0.281 2.046) 3.124 2.903 ( 0.021 0.412 -0.990) 1.072 2.965 ( -2.161 1.018 0.706) 2.491 3.006 ( -0.119 -1.894 3.223) 3.740 3.030 ( -6.134 2.239 2.038) 6.841 3.138 ( 1.550 -1.365 0.515) 2.129 3.152 ( -1.751 1.802 2.846) 3.796 3.212 ( -4.210 2.352 1.166) 4.962 3.274 ( 8.086 2.707 -2.143) 8.792 3.393 ( 0.921 -0.857 0.233) 1.279 3.409 ( 3.764 -4.179 -6.100) 8.297 3.497 ( 0.040 -0.197 0.340) 0.395 3.568 ( 1.729 -2.286 1.274) 3.136 3.633 ( -0.544 -3.847 -0.411) 3.907 3.771 ( -2.056 6.256 -2.801) 7.156 3.865 ( -5.182 -0.946 -0.219) 5.273 3.897 ( 1.377 2.293 -1.458) 3.046 4.016 ( 1.060 7.365 4.174) 8.532 4.062 ( -4.418 -7.906 -1.416) 9.167 4.150 ( -5.278 -5.383 -2.026) 7.806 4.263 ( -1.115 -12.038 -2.825) 12.415 4.378 ( -2.399 1.849 -0.272) 3.041 4.442 ( -1.141 -3.272 3.452) 4.891 4.619 ( 4.750 -4.641 -0.368) 6.651 4.668 ( -0.832 -1.938 -2.615) 3.359 4.735 ( 2.133 2.612 -0.655) 3.435 4.918 ( 1.088 -0.590 -6.675) 6.789 4.976 ( -0.419 -4.205 -4.077) 5.872 5.083 ( -0.923 -1.379 1.404) 2.173 5.095 ( 0.006 2.484 3.243) 4.085 5.171 ( 6.284 -0.897 -0.078) 6.348 5.275 ( 2.208 1.681 -5.897) 6.517 5.362 ( 3.873 2.908 -3.872) 6.201 5.428 ( -0.235 4.755 1.542) 5.005 5.484 ( -1.296 -0.059 -0.741) 1.494 5.767 ( 0.194 -2.270 3.722) 4.364 5.799 ( -2.107 -3.230 0.379) 3.875 5.914 ( -2.537 1.815 2.330) 3.894 5.976 ( -5.949 -0.257 -1.852) 6.236 6.210 ( 3.899 2.739 3.908) 6.162 6.480 ( 4.301 -9.222 7.275) 12.509 6.514 ( 3.276 7.698 -1.344) 8.473 6.678 ( -0.701 -0.044 -4.545) 4.599 6.917 ( 3.729 1.934 -5.674) 7.060 7.096 ( 8.720 2.470 -2.908) 9.518 7.155 ( 8.080 0.873 0.220) 8.130 7.212 ( 16.269 4.858 5.644) 17.893 7.525 ( 5.806 2.392 -1.178) 6.389 7.703 ( 5.325 1.336 1.173) 5.614 7.877 ( -12.042 -3.837 4.619) 13.456 8.005 ( -6.178 1.259 2.764) 6.885 8.030 ( 3.274 -0.691 8.308) 8.957 8.210 ( -12.595 4.364 -4.167) 13.965 8.358 ( 7.950 13.684 -4.614) 16.485 8.424 ( -1.132 -3.552 1.820) 4.148 8.637 ( 3.324 6.395 -0.584) 7.231 8.803 ( -5.726 1.461 3.426) 6.831 8.807 ( -2.573 6.032 2.507) 7.021 8.932 ( -4.595 -3.698 8.083) 10.006 9.049 ( 0.325 -1.606 0.659) 1.767 9.145 ( -7.167 0.506 0.992) 7.253 9.236 ( 0.168 0.728 -1.989) 2.125 9.345 ( 6.221 -6.071 -3.377) 9.325 9.431 ( 1.600 0.429 -1.157) 2.021 9.567 ( -0.321 -4.618 -2.296) 5.167 9.628 ( 4.293 1.855 2.920) 5.513 9.658 ( 2.800 -2.940 -1.171) 4.226 9.817 ( 4.671 -0.954 3.023) 5.645 9.848 ( 8.013 0.324 2.129) 8.297 10.007 ( 7.930 4.400 3.007) 9.554 10.106 ( 2.780 -0.496 -3.707) 4.660 10.188 ( 0.687 3.619 5.315) 6.467 10.224 ( -5.236 -3.184 -6.004) 8.579 10.323 ( -5.429 0.322 -0.859) 5.506 10.377 ( -3.008 -2.245 0.971) 3.877 10.434 ( -2.250 3.468 2.747) 4.963 10.581 ( 1.049 1.177 -2.306) 2.793 10.652 ( -0.735 -0.541 -2.802) 2.947 10.788 ( 4.625 -0.649 1.708) 4.972 10.835 ( 1.028 1.335 3.292) 3.698 10.889 ( 0.509 -4.038 4.138) 5.804 11.009 ( 7.501 5.022 -1.503) 9.151 11.080 ( 5.250 6.996 -4.718) 9.938 11.234 ( 1.000 1.656 -0.858) 2.116 11.323 ( -1.201 -0.148 -1.307) 1.781 11.395 ( 0.666 -9.453 6.330) 11.396 11.485 ( 0.447 1.246 -1.071) 1.703 11.520 ( -0.495 -0.647 -1.649) 1.839 11.643 ( -2.273 -4.287 2.718) 5.562 11.680 ( -3.221 0.910 -5.280) 6.252 11.719 ( 2.907 -2.221 0.876) 3.762 11.900 ( -2.050 1.586 -0.547) 2.649 12.035 ( 1.540 -2.155 -3.630) 4.494 12.056 ( -0.865 -3.133 1.867) 3.748 12.116 ( -10.606 -3.126 -4.218) 11.835 12.237 ( -8.377 0.549 -0.131) 8.396 12.310 ( -7.516 -2.018 0.561) 7.802 12.404 ( -5.777 -1.389 1.457) 6.118 12.447 ( -0.318 1.472 -5.269) 5.479 12.546 ( -3.668 -1.557 -2.094) 4.502 12.597 ( -6.188 1.893 1.531) 6.650 12.656 ( -6.873 0.083 -3.248) 7.602 12.780 ( -2.926 1.634 8.407) 9.051 12.832 ( -12.025 -5.777 -1.941) 13.481 13.051 ( -6.286 -8.345 -1.531) 10.559 13.128 ( -7.408 -0.016 2.855) 7.939 13.287 ( -3.794 -2.005 1.269) 4.475 13.374 ( -0.056 -3.174 -1.094) 3.357 13.507 ( -5.091 -7.380 -9.766) 13.257 13.561 ( 0.865 5.823 0.766) 5.937 13.660 ( -5.284 -4.646 -9.210) 11.590 13.808 ( 1.931 0.089 -4.685) 5.068 13.997 ( -10.991 4.626 -17.906) 21.514 14.390 ( -0.976 -2.916 4.625) 5.554 14.485 ( 3.834 -3.676 2.218) 5.756 14.504 ( 7.913 -1.958 -2.851) 8.635 14.603 ( 6.025 -2.657 -3.819) 7.612 14.834 ( -6.794 -12.250 0.628) 14.021 14.950 ( -3.891 -9.373 0.607) 10.167 15.171 ( -6.608 1.002 0.960) 6.752 15.264 ( 0.468 9.744 2.949) 10.191 15.333 ( -0.344 0.047 -8.250) 8.257 15.514 ( -5.068 9.032 -15.647) 18.764 15.777 ( 2.544 7.633 1.538) 8.191 15.960 ( 2.396 11.664 1.728) 12.032 16.076 ( 4.131 -4.290 8.874) 10.687 16.354 ( 4.695 3.839 1.829) 6.335 16.553 ( 2.515 -8.467 14.081) 16.622 16.706 ( 3.440 -8.498 17.916) 20.125 16.891 ( 0.827 2.145 -2.278) 3.237 17.104 ( 3.543 -2.040 -1.048) 4.220 17.948 ( 3.916 -0.017 2.441) 4.614 18.116 ( 4.215 -3.614 1.548) 5.764 18.340 ( 6.178 3.194 -2.748) 7.478 18.414 ( 7.279 3.164 -2.220) 8.241 21.035 ( -1.936 1.937 -1.214) 2.995 21.125 ( -0.399 2.366 -0.547) 2.461 21.478 ( -3.546 -4.442 1.010) 5.773 21.594 ( -15.944 -19.376 -6.423) 25.902 22.036 ( -1.464 5.322 4.205) 6.939 22.331 ( 0.366 0.349 -2.550) 2.599 22.426 ( -4.905 -0.796 4.162) 6.482 22.625 ( -1.426 -5.562 0.664) 5.780 22.972 ( -0.958 8.757 -3.322) 9.414 23.102 ( 1.962 5.124 -7.767) 9.510 23.214 ( -3.323 1.317 -4.961) 6.114 23.338 ( 1.634 4.486 5.407) 7.213 23.531 ( 2.251 -3.109 1.635) 4.172 23.750 ( -2.767 -4.921 5.414) 7.822 23.957 ( 2.379 5.515 2.282) 6.425 24.065 ( -1.931 -0.062 -2.035) 2.807 24.238 ( 14.841 10.805 -3.850) 18.757 24.656 ( -1.950 -5.136 2.673) 6.109 24.729 ( 2.161 3.525 -0.896) 4.230 24.789 ( 4.090 8.777 9.786) 13.767 24.931 ( 2.590 -6.325 0.498) 6.852 25.473 ( 10.395 -7.819 -1.479) 13.091 26.139 ( 11.954 13.420 3.432) 18.297 26.417 ( 12.147 7.567 -0.787) 14.333 26.782 ( -3.463 0.231 -0.052) 3.471 26.829 ( -3.483 -0.048 0.342) 3.500 26.887 ( -3.785 -1.645 -0.218) 4.133 27.110 ( 1.806 -2.778 -3.370) 4.726 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -2.273 21.631 7.382) 22.969 1.261 ( 4.026 21.015 7.897) 22.808 1.563 ( 0.375 -12.913 -0.136) 12.919 1.612 ( 0.430 -13.620 -1.610) 13.722 1.883 ( 0.357 0.153 -2.193) 2.227 1.929 ( 1.247 -4.515 0.655) 4.730 2.110 ( 1.765 -1.742 1.792) 3.060 2.132 ( 1.008 -2.682 0.451) 2.901 2.218 ( 0.782 6.409 0.693) 6.493 2.298 ( -0.316 -2.618 -0.308) 2.655 2.456 ( -2.136 8.988 7.232) 11.732 2.476 ( -2.513 1.731 0.152) 3.056 2.507 ( -1.209 27.103 6.226) 27.835 2.539 ( 1.854 1.965 -0.690) 2.788 2.579 ( 1.308 -1.082 1.723) 2.419 2.731 ( 1.134 5.183 1.256) 5.453 2.776 ( -1.260 6.697 0.200) 6.817 2.861 ( -0.732 -4.592 4.842) 6.713 2.900 ( -2.636 -2.621 0.139) 3.720 2.917 ( 1.108 1.005 0.211) 1.511 2.928 ( 2.303 -0.328 0.772) 2.451 3.081 ( 1.710 -1.414 2.474) 3.323 3.162 ( -1.226 2.510 -1.420) 3.133 3.213 ( 1.967 1.188 1.336) 2.658 3.262 ( -1.671 4.903 0.337) 5.191 3.317 ( 1.805 -2.006 -1.976) 3.344 3.358 ( 0.995 -5.981 -1.557) 6.260 3.412 ( -1.657 -1.723 -0.457) 2.434 3.429 ( -2.085 -6.906 0.396) 7.225 3.485 ( -2.052 -3.507 -0.642) 4.114 3.544 ( 0.615 -6.019 2.816) 6.674 3.572 ( -1.810 -21.128 -0.290) 21.208 3.790 ( 4.437 4.206 -1.471) 6.288 3.850 ( 3.031 0.925 -3.347) 4.610 3.958 ( -4.694 2.629 1.160) 5.504 4.000 ( -2.147 -1.169 2.827) 3.737 4.089 ( -1.049 7.005 -3.077) 7.722 4.191 ( 0.029 0.987 1.362) 1.682 4.378 ( 0.059 3.121 -2.036) 3.727 4.496 ( 1.308 -7.853 -4.080) 8.946 4.527 ( 3.975 3.244 -3.441) 6.178 4.601 ( -1.594 -2.510 0.774) 3.073 4.812 ( 1.444 1.203 -2.067) 2.793 4.878 ( -0.314 -3.925 -3.355) 5.173 5.015 ( 2.777 4.010 1.444) 5.087 5.065 ( -2.018 -0.935 0.985) 2.432 5.125 ( 2.581 2.802 2.938) 4.810 5.204 ( 1.115 -2.744 1.725) 3.428 5.276 ( 1.283 -0.488 -4.718) 4.914 5.313 ( -3.960 -3.122 -5.452) 7.426 5.502 ( 0.028 5.097 -0.383) 5.111 5.559 ( -1.123 1.044 1.991) 2.512 5.726 ( 0.411 -2.157 0.514) 2.255 5.734 ( 1.241 -2.088 1.512) 2.861 5.904 ( 0.012 0.750 2.740) 2.841 5.934 ( 0.144 -1.896 1.550) 2.453 6.342 ( 0.593 1.360 6.254) 6.427 6.399 ( 0.494 -5.332 7.292) 9.047 6.611 ( -0.265 3.190 -4.482) 5.507 6.659 ( -0.009 -1.548 -4.240) 4.513 7.076 ( 4.548 5.953 -3.836) 8.417 7.181 ( -0.672 -3.160 -2.307) 3.970 7.261 ( -1.961 4.719 -7.710) 9.250 7.361 ( -3.273 -4.160 -7.035) 8.804 7.559 ( -0.062 1.890 4.136) 4.548 7.625 ( -2.960 -3.406 2.947) 5.390 7.811 ( -11.030 5.842 4.949) 13.427 7.899 ( -8.806 -0.602 0.333) 8.833 8.010 ( 7.855 6.373 5.882) 11.701 8.188 ( 7.446 -11.094 8.760) 15.977 8.393 ( 0.164 2.549 3.593) 4.408 8.476 ( 2.968 -4.971 4.714) 7.466 8.779 ( -3.593 4.599 -5.903) 8.301 8.858 ( -3.502 -1.853 -3.760) 5.462 8.936 ( -2.164 8.708 -4.312) 9.955 8.982 ( -4.703 6.907 4.465) 9.474 9.053 ( 0.312 10.177 -3.592) 10.796 9.115 ( -1.742 -3.261 -2.477) 4.450 9.177 ( -1.476 -8.813 -0.783) 8.970 9.304 ( 6.171 -9.257 -6.090) 12.683 9.428 ( -2.939 1.697 -1.146) 3.582 9.473 ( 2.635 -2.025 -3.859) 5.093 9.687 ( -4.243 2.981 -0.793) 5.246 9.758 ( 0.035 -4.781 -1.706) 5.076 9.863 ( 0.197 7.714 5.790) 9.648 9.947 ( 10.553 1.200 2.294) 10.866 10.057 ( 7.589 -1.260 1.982) 7.944 10.109 ( 0.973 -3.580 0.752) 3.785 10.157 ( -2.759 6.530 4.748) 8.532 10.245 ( -0.255 1.902 3.127) 3.669 10.335 ( 4.276 -1.191 -2.420) 5.055 10.389 ( 1.770 -3.885 -3.308) 5.401 10.551 ( -2.033 4.817 3.441) 6.259 10.569 ( -3.198 -0.634 5.742) 6.603 10.636 ( -6.110 4.744 4.215) 8.809 10.756 ( -3.883 -4.087 6.353) 8.493 10.812 ( 3.470 -3.063 -1.094) 4.756 10.922 ( -5.193 -10.750 2.555) 12.209 11.020 ( 2.126 10.338 -3.773) 11.208 11.121 ( -3.467 5.932 2.946) 7.476 11.180 ( -5.326 -5.349 4.226) 8.651 11.341 ( -1.213 -4.059 -5.830) 7.207 11.467 ( 7.893 -1.272 -3.062) 8.561 11.494 ( -0.289 -1.276 -6.322) 6.456 11.550 ( 0.463 2.147 -3.905) 4.480 11.608 ( 6.455 4.768 -0.621) 8.049 11.637 ( -0.523 -5.156 -2.687) 5.837 11.660 ( 1.699 -2.351 -1.405) 3.223 11.698 ( -4.048 1.352 -0.041) 4.268 11.840 ( -2.714 -4.730 -3.213) 6.329 12.067 ( -5.205 2.402 -3.669) 6.806 12.105 ( -7.122 -1.645 -3.480) 8.095 12.153 ( 9.333 6.465 3.298) 11.823 12.231 ( 6.386 -2.259 3.999) 7.866 12.331 ( 1.831 0.294 3.907) 4.325 12.350 ( 1.572 -0.467 1.638) 2.317 12.507 ( -0.364 3.049 -2.182) 3.767 12.575 ( 2.859 -1.693 -2.284) 4.032 12.661 ( 1.521 -0.383 -1.237) 1.998 12.676 ( 0.378 1.599 2.786) 3.234 12.791 ( -2.590 0.265 -4.600) 5.285 12.849 ( 0.755 -3.265 4.245) 5.408 13.055 ( -3.937 0.640 3.409) 5.247 13.169 ( -4.905 -7.701 -2.524) 9.473 13.234 ( -0.744 -0.863 -3.385) 3.571 13.271 ( -1.068 -4.094 -3.091) 5.239 13.554 ( 1.263 6.791 -9.710) 11.916 13.699 ( 1.054 -4.765 -7.358) 8.829 13.856 ( 2.949 8.324 -2.263) 9.116 13.919 ( 1.431 3.465 -3.747) 5.300 14.341 ( -3.112 -4.153 2.434) 5.732 14.394 ( 1.627 -7.974 6.461) 10.391 14.634 ( 5.370 0.556 1.230) 5.537 14.656 ( 5.236 -1.409 2.072) 5.805 14.784 ( 2.975 1.651 3.514) 4.892 14.838 ( 0.403 -3.165 3.664) 4.858 15.121 ( -1.855 4.394 -2.548) 5.408 15.208 ( -1.203 -3.524 -6.959) 7.893 15.342 ( -4.128 6.303 -6.778) 10.134 15.448 ( -2.698 -2.903 -10.460) 11.185 16.023 ( 2.208 8.356 4.824) 9.898 16.131 ( 0.938 -1.032 7.926) 8.048 16.270 ( -1.640 9.852 5.895) 11.597 16.376 ( -1.916 -2.114 2.452) 3.762 16.544 ( -1.237 -0.545 4.382) 4.585 16.626 ( -1.657 -10.091 14.129) 17.442 16.961 ( 0.713 5.233 -1.957) 5.632 17.072 ( 0.938 -5.444 -0.682) 5.566 18.037 ( -0.080 2.534 3.072) 3.984 18.100 ( 0.014 -3.794 2.518) 4.554 18.454 ( 0.275 2.675 -3.085) 4.092 18.488 ( -0.006 -0.645 -3.596) 3.653 21.080 ( 1.521 3.378 0.332) 3.720 21.148 ( 2.714 -2.947 -0.651) 4.058 21.251 ( -4.204 2.615 -2.249) 5.438 21.325 ( -2.402 -4.364 -2.854) 5.741 22.151 ( -1.511 6.524 4.193) 7.901 22.273 ( -1.370 -5.408 3.916) 6.816 22.447 ( 1.890 3.930 0.374) 4.376 22.531 ( 1.847 -4.357 1.239) 4.892 23.045 ( -1.313 4.945 -5.818) 7.748 23.095 ( -1.761 0.530 -7.976) 8.186 23.316 ( 2.667 6.471 7.290) 10.106 23.430 ( 1.412 -1.843 5.254) 5.744 23.558 ( 1.753 0.343 4.719) 5.046 23.645 ( 0.868 -6.858 6.540) 9.516 23.988 ( -2.241 3.480 -3.980) 5.742 24.038 ( -0.666 -1.102 -1.371) 1.881 24.397 ( 2.709 0.593 -5.316) 5.996 24.457 ( -1.720 -5.010 -5.372) 7.545 24.735 ( -0.720 1.070 0.565) 1.408 24.791 ( -1.014 -4.839 -0.953) 5.035 25.236 ( 1.346 7.348 0.354) 7.479 25.396 ( -0.763 -8.268 -4.202) 9.306 26.521 ( 1.089 7.733 2.232) 8.122 26.611 ( 2.969 -1.946 -0.713) 3.621 26.754 ( 0.102 0.321 0.488) 0.593 26.762 ( -0.728 -0.533 0.517) 1.040 26.893 ( -0.822 5.641 0.716) 5.745 27.025 ( -0.751 -6.304 -3.240) 7.128 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 10.908 19.883 5.776) 23.403 1.484 ( 10.766 9.464 5.640) 15.404 1.599 ( 2.636 -1.912 -4.540) 5.587 1.711 ( 10.014 -15.734 0.689) 18.663 1.943 ( 6.218 -0.834 -0.878) 6.335 1.958 ( 3.885 -1.955 -3.058) 5.317 2.161 ( 1.341 3.793 3.571) 5.379 2.220 ( 1.744 2.678 -3.287) 4.584 2.234 ( 0.768 -3.216 4.208) 5.352 2.319 ( 0.912 -6.589 -2.456) 7.091 2.392 ( -1.575 2.316 1.432) 3.145 2.439 ( -0.348 -2.149 2.128) 3.045 2.572 ( 1.870 6.933 -0.026) 7.181 2.643 ( 4.260 3.842 1.646) 5.968 2.671 ( 1.548 8.072 3.877) 9.088 2.744 ( 4.711 16.851 8.814) 19.591 2.796 ( 1.445 2.546 0.530) 2.975 2.834 ( -1.532 -1.433 2.652) 3.381 2.875 ( -2.030 -0.978 2.743) 3.550 2.985 ( 2.905 3.013 -2.011) 4.643 3.024 ( 2.628 -1.310 1.025) 3.110 3.042 ( -6.109 -2.226 -0.795) 6.551 3.108 ( -1.650 2.438 -0.208) 2.951 3.191 ( 2.371 4.282 -0.268) 4.901 3.239 ( -4.654 2.929 -1.641) 5.739 3.302 ( -4.779 -4.141 1.569) 6.515 3.315 ( 1.608 -1.579 2.233) 3.172 3.404 ( 1.457 -3.080 -0.885) 3.520 3.456 ( 5.559 -4.130 2.437) 7.341 3.515 ( 2.732 1.418 0.692) 3.155 3.582 ( 4.176 -13.694 -3.694) 14.786 3.649 ( 4.776 -16.813 4.108) 17.955 3.853 ( 0.835 3.094 -3.125) 4.476 3.867 ( 3.093 4.302 -5.068) 7.332 3.960 ( 2.581 4.585 -1.748) 5.544 4.049 ( 1.010 5.658 0.709) 5.791 4.102 ( 3.010 -6.208 2.106) 7.214 4.172 ( -1.379 -3.193 -1.453) 3.769 4.334 ( -1.360 6.449 -2.517) 7.055 4.466 ( -0.729 -5.670 -2.280) 6.155 4.566 ( -1.521 3.017 0.649) 3.440 4.612 ( 1.989 -1.313 -1.703) 2.929 4.792 ( -2.864 -0.705 -2.281) 3.729 4.821 ( -2.317 -1.911 -2.581) 3.960 4.974 ( -6.262 2.413 0.217) 6.714 5.033 ( -4.450 -3.991 1.062) 6.071 5.153 ( 1.525 5.415 -5.451) 7.833 5.218 ( 4.829 -0.921 -1.844) 5.251 5.279 ( 2.439 2.766 -0.832) 3.781 5.369 ( 3.210 -4.034 1.405) 5.344 5.466 ( -2.006 2.626 -1.734) 3.732 5.505 ( -0.572 -0.372 1.336) 1.500 5.745 ( 1.717 -0.763 -1.942) 2.702 5.769 ( 1.003 -2.793 0.869) 3.092 5.965 ( 3.450 -0.037 3.855) 5.173 5.984 ( 2.622 -1.606 3.394) 4.579 6.379 ( -0.314 2.301 5.539) 6.006 6.441 ( -0.916 -4.211 6.014) 7.399 6.534 ( -4.222 3.741 -3.662) 6.725 6.594 ( -3.741 -1.923 -4.176) 5.927 6.910 ( -9.316 3.055 -6.816) 11.940 6.980 ( -10.941 -3.974 -4.958) 12.652 7.231 ( -2.003 6.872 -1.333) 7.281 7.300 ( -4.853 0.188 3.053) 5.737 7.682 ( 1.354 0.430 5.780) 5.952 7.711 ( -1.280 1.835 4.940) 5.423 7.730 ( 7.871 0.111 3.734) 8.712 7.840 ( 1.058 -5.384 2.154) 5.895 8.063 ( -3.198 4.375 -3.856) 6.651 8.162 ( -1.352 -4.843 -6.942) 8.572 8.501 ( 5.042 11.641 5.870) 13.978 8.607 ( -2.242 5.805 -4.358) 7.598 8.674 ( -0.581 -2.941 5.376) 6.155 8.715 ( 1.369 -3.593 -1.006) 3.974 8.852 ( -2.821 0.295 0.203) 2.844 8.906 ( -5.026 5.420 2.141) 7.695 9.001 ( -5.173 -3.042 -3.921) 7.168 9.059 ( 0.610 7.737 2.095) 8.038 9.170 ( -0.406 -9.583 -1.929) 9.784 9.259 ( -4.927 -9.233 1.424) 10.562 9.381 ( -1.045 2.840 -2.456) 3.897 9.435 ( -0.374 -1.534 -2.245) 2.745 9.673 ( -0.713 4.607 2.023) 5.082 9.766 ( -0.845 -4.165 0.834) 4.331 9.982 ( 1.255 8.857 9.177) 12.816 10.034 ( -2.720 4.484 2.252) 5.707 10.086 ( -1.263 1.908 1.665) 2.830 10.117 ( -0.377 2.172 -2.854) 3.606 10.161 ( -2.804 2.134 1.184) 3.718 10.265 ( -2.734 -1.856 3.549) 4.849 10.356 ( -7.440 -1.076 1.832) 7.738 10.409 ( -2.480 -6.032 -2.333) 6.927 10.492 ( 4.161 5.838 -2.631) 7.637 10.504 ( 1.308 0.711 -5.994) 6.176 10.611 ( -6.325 -5.900 6.647) 10.909 10.705 ( -3.824 -3.196 -4.277) 6.567 10.767 ( -0.651 -2.787 3.734) 4.705 10.868 ( 0.785 -6.032 2.243) 6.483 11.011 ( -0.326 8.769 4.156) 9.709 11.104 ( 6.987 8.796 -4.938) 12.271 11.193 ( 1.624 -7.480 2.607) 8.086 11.296 ( -1.120 -3.186 -4.743) 5.822 11.469 ( -2.900 6.635 1.548) 7.405 11.500 ( 0.133 0.759 -1.851) 2.005 11.533 ( -0.630 -3.539 -3.839) 5.260 11.598 ( -0.568 0.141 -1.486) 1.597 11.634 ( 1.722 -1.644 -1.917) 3.056 11.707 ( 1.102 -4.995 -6.009) 7.891 11.829 ( 7.599 2.602 5.431) 9.695 11.910 ( 1.223 -3.827 4.240) 5.841 12.018 ( 7.894 0.321 -2.907) 8.418 12.078 ( 8.122 -5.172 -4.049) 10.446 12.290 ( 0.220 5.237 -1.657) 5.498 12.349 ( 2.062 2.155 2.189) 3.700 12.386 ( 4.181 0.505 -2.368) 4.831 12.512 ( 4.915 -6.356 3.624) 8.814 12.617 ( 6.693 2.699 -4.963) 8.759 12.668 ( 12.707 -1.505 -3.648) 13.306 12.707 ( 1.417 3.605 -0.013) 3.874 12.756 ( 10.152 2.293 1.977) 10.594 12.817 ( 5.672 -0.244 -0.748) 5.726 12.887 ( 6.438 -6.479 -2.051) 9.361 13.028 ( -0.033 1.108 5.884) 5.988 13.103 ( -0.228 -4.774 4.159) 6.336 13.208 ( -0.266 -3.027 -3.466) 4.609 13.243 ( -0.593 -5.531 -1.602) 5.788 13.584 ( 7.298 2.664 -9.311) 12.126 13.687 ( 2.720 -6.027 -7.409) 9.930 13.922 ( 3.427 5.969 -4.581) 8.268 13.935 ( 3.174 6.858 -0.614) 7.582 14.295 ( -2.736 1.162 1.421) 3.295 14.458 ( 1.010 -11.555 1.332) 11.676 14.691 ( 0.140 2.170 -2.619) 3.404 14.723 ( -0.736 -1.228 -1.694) 2.218 14.904 ( 5.519 0.609 5.691) 7.951 14.921 ( 6.308 -0.913 3.645) 7.342 15.110 ( -2.069 2.531 -4.532) 5.588 15.126 ( 0.965 0.814 1.274) 1.794 15.273 ( 1.494 2.273 -4.613) 5.355 15.358 ( 0.881 -4.599 -7.654) 8.972 16.042 ( -3.771 8.494 4.703) 10.416 16.100 ( -6.929 4.453 3.639) 9.004 16.238 ( -5.227 6.021 5.757) 9.834 16.321 ( -4.645 -3.427 0.432) 5.788 16.531 ( -3.326 -0.178 7.281) 8.007 16.634 ( -5.642 -9.420 11.526) 15.919 16.952 ( -0.285 5.061 -2.364) 5.593 17.060 ( -1.406 -5.472 -1.342) 5.807 18.009 ( -4.460 2.475 3.479) 6.174 18.071 ( -4.300 -3.662 2.613) 6.223 18.375 ( -5.487 2.646 -3.286) 6.922 18.401 ( -5.517 -0.037 -3.304) 6.431 21.119 ( 0.657 3.662 -0.621) 3.772 21.196 ( 1.756 -0.849 -4.690) 5.079 21.225 ( 2.286 0.461 2.251) 3.241 21.316 ( 5.044 -5.400 -2.003) 7.656 22.152 ( -0.878 6.424 3.581) 7.407 22.276 ( -0.779 -5.708 3.002) 6.497 22.516 ( 4.336 5.521 0.003) 7.020 22.610 ( 4.718 -3.494 1.889) 6.167 22.979 ( -1.905 5.019 -5.004) 7.339 23.022 ( -1.007 1.549 -6.167) 6.437 23.407 ( 1.685 5.940 6.580) 9.023 23.483 ( 2.201 0.766 2.844) 3.677 23.644 ( 2.729 0.292 7.360) 7.855 23.741 ( 2.379 -4.432 6.791) 8.451 23.920 ( -1.172 -1.829 -2.022) 2.968 23.989 ( -2.748 -4.882 -4.366) 7.103 24.402 ( 0.679 0.640 -7.431) 7.489 24.420 ( 3.270 -1.066 -6.577) 7.422 24.737 ( 0.526 -0.495 0.615) 0.948 24.762 ( -0.816 -3.183 -1.193) 3.496 25.144 ( -9.299 3.828 4.333) 10.950 25.245 ( -9.746 -6.070 -2.727) 11.801 26.439 ( -11.155 8.549 1.948) 14.189 26.542 ( -12.097 -1.399 0.414) 12.185 26.804 ( 4.024 0.393 0.580) 4.085 26.819 ( 4.766 -1.116 0.694) 4.944 26.878 ( 1.338 3.858 -0.586) 4.125 26.967 ( -0.627 -4.124 -2.334) 4.780 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 5.582 6.468 -3.645) 9.288 1.667 ( 8.265 3.170 1.895) 9.052 1.683 ( 9.542 7.468 -0.201) 12.119 1.923 ( 8.190 -9.673 0.272) 12.677 2.051 ( 6.595 4.611 4.309) 9.128 2.102 ( -1.865 -1.768 1.799) 3.137 2.137 ( -2.370 3.893 3.883) 5.987 2.191 ( 5.987 -2.552 -1.275) 6.632 2.287 ( 2.292 -0.085 0.250) 2.307 2.323 ( 1.918 -0.905 -0.960) 2.328 2.437 ( 3.084 -0.597 0.942) 3.280 2.490 ( 2.836 -4.454 3.513) 6.342 2.596 ( -4.057 2.770 -1.416) 5.112 2.604 ( -0.210 7.122 -2.698) 7.619 2.686 ( -5.151 -3.201 -0.636) 6.098 2.741 ( -4.854 0.356 -2.742) 5.587 2.779 ( -5.385 -0.383 -2.025) 5.766 2.834 ( -4.598 -4.568 -3.808) 7.517 2.894 ( 0.248 2.976 -0.172) 2.991 2.936 ( 4.140 -0.844 5.100) 6.623 2.984 ( 3.700 1.968 4.904) 6.451 3.047 ( -1.205 1.059 -0.529) 1.689 3.183 ( 2.717 2.847 0.359) 3.952 3.252 ( 5.046 -2.222 -0.020) 5.513 3.310 ( 5.497 3.029 2.928) 6.926 3.340 ( 7.184 3.497 3.389) 8.679 3.361 ( 4.464 -1.522 1.782) 5.042 3.459 ( 3.126 -3.420 -0.474) 4.657 3.519 ( 0.471 3.064 -1.098) 3.289 3.575 ( 2.607 -0.421 1.434) 3.005 3.654 ( 3.502 -1.656 -0.129) 3.876 3.756 ( 1.345 -7.857 4.537) 9.172 3.868 ( -2.244 3.366 -2.850) 4.949 3.903 ( 2.125 -0.453 -4.117) 4.655 3.969 ( 2.468 6.021 -1.583) 6.697 4.023 ( 0.492 0.418 4.344) 4.392 4.118 ( -1.462 -1.473 -0.439) 2.121 4.173 ( 2.268 -6.001 1.916) 6.696 4.294 ( -1.750 8.547 -3.861) 9.541 4.465 ( 0.346 -5.396 0.431) 5.424 4.528 ( -1.281 1.982 -0.006) 2.360 4.567 ( -4.758 -5.349 -1.172) 7.254 4.679 ( -4.808 1.879 -3.507) 6.241 4.756 ( -3.686 -4.318 -3.896) 6.885 4.863 ( -5.000 3.548 3.395) 7.008 4.940 ( -3.243 -4.471 1.196) 5.651 5.109 ( -3.901 9.566 -6.397) 12.151 5.250 ( -4.101 -0.580 -1.248) 4.326 5.295 ( 1.307 -0.894 -3.863) 4.175 5.342 ( 0.280 -3.158 -0.626) 3.231 5.581 ( 10.486 2.888 -2.157) 11.088 5.616 ( 7.866 1.437 2.443) 8.361 5.780 ( 3.956 -1.689 -2.636) 5.045 5.799 ( 3.318 -3.593 -1.004) 4.992 6.049 ( 0.816 1.112 4.610) 4.812 6.063 ( 1.867 -0.459 3.252) 3.778 6.380 ( -3.846 2.240 0.769) 4.516 6.409 ( -4.611 -0.447 -3.252) 5.660 6.464 ( 0.513 4.773 1.844) 5.142 6.531 ( 1.469 -1.902 2.139) 3.218 6.757 ( -3.727 2.033 -0.371) 4.261 6.817 ( -3.288 -3.459 -0.771) 4.834 7.151 ( -6.166 3.397 1.342) 7.167 7.171 ( -7.451 3.482 -1.155) 8.305 7.408 ( -20.193 7.787 -0.369) 21.646 7.588 ( -8.683 -3.923 -3.276) 10.076 7.781 ( -3.017 1.783 -1.124) 3.680 7.900 ( 1.366 -6.657 1.130) 6.889 8.278 ( 18.903 4.580 4.085) 19.875 8.358 ( 17.262 -2.707 1.365) 17.527 8.516 ( 0.530 8.535 -3.256) 9.150 8.583 ( 0.048 -0.394 -2.570) 2.601 8.675 ( 0.482 1.187 0.644) 1.434 8.759 ( -3.165 -5.864 0.824) 6.715 8.844 ( 1.016 2.597 3.439) 4.427 8.922 ( 1.086 2.773 5.254) 6.039 8.939 ( 3.394 -4.341 4.974) 7.424 9.048 ( -4.278 -5.892 0.545) 7.302 9.136 ( 1.372 4.654 2.542) 5.478 9.260 ( -1.216 -5.404 4.688) 7.257 9.351 ( -0.216 -1.944 -4.541) 4.944 9.388 ( -2.668 -3.494 -0.836) 4.474 9.625 ( -4.313 4.630 1.178) 6.437 9.705 ( -4.550 -2.189 -0.414) 5.066 9.952 ( -8.256 6.429 1.755) 10.610 9.984 ( -5.294 2.907 6.661) 8.991 10.022 ( -4.471 4.703 1.488) 6.657 10.057 ( -3.838 8.182 -2.688) 9.428 10.093 ( -3.368 0.659 2.326) 4.145 10.126 ( -7.658 -0.403 -1.186) 7.760 10.254 ( -4.630 -6.140 1.757) 7.888 10.301 ( -6.333 -8.971 -1.562) 11.092 10.414 ( -3.374 0.563 -4.254) 5.459 10.481 ( 1.959 -4.149 -1.103) 4.719 10.618 ( 4.149 6.272 1.816) 7.736 10.746 ( 1.107 -4.929 0.301) 5.061 10.870 ( 7.270 7.026 0.187) 10.112 10.959 ( 6.231 -3.124 -0.475) 6.986 11.066 ( 2.373 7.571 2.529) 8.327 11.182 ( 0.466 2.984 -2.870) 4.167 11.205 ( -0.358 -0.246 -4.508) 4.529 11.248 ( 2.761 -1.804 -3.215) 4.606 11.438 ( -4.882 3.512 -1.775) 6.270 11.457 ( 0.216 -0.430 2.590) 2.634 11.519 ( 1.996 -6.809 -1.928) 7.353 11.586 ( -2.019 -5.254 4.171) 7.006 11.678 ( 2.681 2.269 -0.146) 3.515 11.737 ( 2.651 -1.139 -2.130) 3.586 11.842 ( -3.100 -1.744 -4.976) 6.117 11.892 ( -0.285 -7.115 0.404) 7.132 12.222 ( -0.461 7.188 6.395) 9.632 12.272 ( 4.429 4.547 2.613) 6.864 12.300 ( 5.249 1.212 2.112) 5.786 12.379 ( -0.106 0.358 -3.824) 3.842 12.433 ( 4.294 -3.667 -5.110) 7.615 12.557 ( 10.783 -8.750 -4.533) 14.607 12.697 ( 1.643 4.313 -2.669) 5.331 12.773 ( 6.134 1.059 -1.163) 6.333 12.859 ( 5.511 -1.722 2.931) 6.475 12.874 ( 6.049 -3.191 -1.780) 7.067 13.014 ( 6.952 0.295 4.933) 8.529 13.063 ( 3.701 -3.634 4.599) 6.932 13.163 ( 4.618 -0.753 -2.431) 5.272 13.174 ( -0.606 -3.527 1.565) 3.906 13.259 ( 10.244 -1.849 2.202) 10.640 13.295 ( 13.665 -3.415 -1.068) 14.126 13.667 ( 4.212 0.627 -7.507) 8.631 13.705 ( 3.169 -3.857 -4.358) 6.627 13.960 ( 3.653 5.515 -2.441) 7.051 14.023 ( 6.992 2.131 -5.752) 9.302 14.240 ( -2.729 4.725 -0.219) 5.461 14.429 ( -4.056 -9.659 -1.408) 10.570 14.664 ( 0.213 0.538 -2.759) 2.819 14.674 ( -0.905 -0.912 -2.167) 2.519 14.906 ( -2.855 -0.549 -10.022) 10.435 14.917 ( -3.124 -1.427 -9.274) 9.890 15.218 ( 8.048 3.437 7.085) 11.259 15.253 ( 3.867 -0.676 4.933) 6.305 15.343 ( 5.662 2.075 3.696) 7.072 15.415 ( 9.417 -4.310 2.383) 10.627 15.886 ( -11.210 7.739 -0.908) 13.652 15.980 ( -7.610 0.520 2.087) 7.908 16.139 ( -6.937 5.398 2.830) 9.234 16.203 ( -7.064 0.124 1.406) 7.203 16.500 ( -6.089 -0.320 10.461) 12.108 16.579 ( -4.731 -6.646 7.608) 11.155 16.926 ( -0.181 3.859 -3.270) 5.062 17.009 ( -1.864 -4.262 -2.858) 5.460 17.922 ( -5.714 2.430 2.966) 6.881 17.981 ( -5.434 -3.432 1.698) 6.647 18.230 ( -6.083 2.827 -2.244) 7.074 18.259 ( -5.813 -0.136 -2.634) 6.384 21.118 ( 0.757 3.069 -1.110) 3.351 21.190 ( 0.978 -3.557 -2.917) 4.703 21.322 ( 4.374 4.030 2.989) 6.656 21.446 ( 6.643 -7.583 0.015) 10.081 22.161 ( -0.320 6.434 2.939) 7.081 22.280 ( -0.208 -5.301 1.708) 5.573 22.599 ( 3.662 7.545 -1.040) 8.451 22.722 ( 4.489 -4.201 1.082) 6.242 22.910 ( -2.311 5.655 -1.935) 6.408 22.976 ( -0.536 0.344 -2.102) 2.197 23.465 ( 1.569 7.088 0.994) 7.328 23.565 ( 4.190 -0.882 0.220) 4.288 23.718 ( -1.811 2.905 -3.763) 5.087 23.762 ( 1.707 1.480 6.195) 6.594 23.887 ( -2.907 -4.911 -4.263) 7.123 23.994 ( 2.919 -12.977 11.814) 17.790 24.361 ( -0.396 2.409 -9.468) 9.778 24.413 ( 0.537 -2.650 -8.962) 9.361 24.753 ( 0.353 0.511 -1.942) 2.039 24.766 ( 1.594 -0.587 -1.154) 2.053 25.024 ( -4.171 2.171 8.146) 9.406 25.075 ( -4.336 -3.342 2.802) 6.150 26.126 ( -19.182 7.068 1.065) 20.471 26.191 ( -20.054 0.941 -0.542) 20.084 26.885 ( 2.596 0.156 0.862) 2.740 26.888 ( 2.948 0.097 0.039) 2.950 26.960 ( 4.528 -0.028 -0.101) 4.529 26.994 ( 3.694 -2.867 -1.571) 4.933 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 4.058 3.497 0.523) 5.382 1.720 ( 3.117 -2.545 -0.364) 4.041 1.901 ( 1.191 3.511 2.230) 4.327 1.949 ( -2.412 -1.657 2.591) 3.909 2.088 ( 1.019 3.035 3.621) 4.834 2.145 ( 4.619 -1.168 0.762) 4.825 2.246 ( -7.309 4.040 -0.823) 8.392 2.255 ( 4.299 3.629 3.868) 6.828 2.310 ( 0.607 0.966 0.918) 1.464 2.392 ( 3.537 -3.099 1.871) 5.062 2.422 ( -4.166 2.886 -0.104) 5.069 2.502 ( -5.370 -3.045 3.048) 6.884 2.548 ( 5.907 0.882 1.181) 6.089 2.589 ( 1.178 -0.938 -1.797) 2.344 2.643 ( -2.359 3.281 -4.389) 5.966 2.686 ( 6.126 -3.027 -2.227) 7.187 2.701 ( 3.036 -3.030 0.647) 4.337 2.777 ( 0.770 -5.302 -1.964) 5.706 2.856 ( -2.152 3.108 1.758) 4.168 2.962 ( -2.800 -5.083 2.733) 6.415 3.087 ( 1.740 -1.658 1.629) 2.904 3.092 ( 0.718 -2.472 1.120) 2.808 3.243 ( -0.283 4.083 1.974) 4.544 3.301 ( -1.032 -1.191 1.339) 2.068 3.377 ( 4.300 4.159 -3.519) 6.941 3.431 ( 3.718 -1.390 -2.230) 4.553 3.485 ( 0.188 2.279 -1.964) 3.014 3.535 ( 0.587 -2.039 -1.529) 2.615 3.553 ( 3.964 3.231 0.297) 5.123 3.600 ( 4.551 -1.872 0.786) 4.984 3.688 ( -2.828 3.385 -0.650) 4.459 3.764 ( -1.624 -0.759 2.286) 2.905 3.775 ( -3.040 -1.165 2.620) 4.179 3.837 ( -3.740 -2.359 -0.527) 4.453 4.022 ( 1.847 5.541 0.807) 5.896 4.112 ( 1.954 1.676 -3.412) 4.274 4.149 ( 1.148 2.074 5.194) 5.709 4.207 ( -0.152 -4.963 2.486) 5.553 4.275 ( 1.207 8.372 -1.062) 8.525 4.412 ( -3.400 -1.699 -2.641) 4.628 4.457 ( -3.756 -1.849 -1.675) 4.509 4.573 ( 3.994 -6.442 -3.564) 8.375 4.613 ( 0.286 1.039 1.112) 1.549 4.632 ( -1.417 -0.856 -1.490) 2.227 4.861 ( -0.889 2.795 7.807) 8.340 4.931 ( -2.900 -3.473 4.941) 6.699 5.004 ( 1.913 6.263 -4.166) 7.762 5.147 ( -1.322 -7.260 -2.586) 7.819 5.272 ( -0.127 3.543 -3.369) 4.891 5.332 ( -1.176 -2.361 -1.356) 2.965 5.697 ( 2.137 5.576 -5.293) 7.980 5.773 ( 1.970 -0.380 -2.365) 3.102 5.873 ( 5.448 -0.077 -1.883) 5.765 5.893 ( 5.043 -0.829 2.021) 5.496 6.032 ( -3.253 1.663 -0.931) 3.770 6.056 ( -0.590 -0.523 0.359) 0.866 6.283 ( -5.283 3.756 2.021) 6.790 6.323 ( -1.752 0.505 1.420) 2.311 6.510 ( 0.862 6.170 0.235) 6.235 6.612 ( 2.502 -4.086 1.432) 5.001 6.738 ( 0.079 3.352 2.196) 4.008 6.797 ( -1.294 -2.037 3.258) 4.054 6.931 ( -6.713 7.027 -3.462) 10.317 7.046 ( -4.282 -4.277 -4.037) 7.275 7.206 ( 0.037 10.817 -0.147) 10.818 7.469 ( 0.951 -10.001 -3.092) 10.511 7.700 ( -3.698 6.627 -2.171) 7.893 7.882 ( -2.867 -8.657 -2.170) 9.374 8.460 ( -0.270 6.173 1.350) 6.324 8.540 ( -2.589 -2.329 -0.884) 3.593 8.596 ( 4.635 1.428 1.343) 5.032 8.642 ( 2.137 -2.310 -1.529) 3.499 8.732 ( 7.267 6.346 4.719) 10.740 8.836 ( 7.470 -3.437 2.161) 8.502 8.870 ( 2.736 1.310 3.534) 4.657 8.987 ( -1.354 -7.559 3.682) 8.517 9.023 ( -0.142 -1.004 3.694) 3.831 9.030 ( 2.352 -2.617 5.659) 6.664 9.173 ( -1.096 3.086 7.021) 7.747 9.187 ( -6.641 0.009 1.449) 6.797 9.342 ( 1.071 -1.888 -2.707) 3.470 9.368 ( 3.525 -2.734 -1.579) 4.733 9.552 ( -2.725 1.108 0.120) 2.944 9.599 ( -4.906 -2.644 -0.836) 5.636 9.801 ( -6.007 4.383 1.206) 7.533 9.851 ( -8.384 0.001 3.391) 9.044 9.940 ( -4.167 4.685 -4.452) 7.690 9.997 ( -1.777 0.306 -1.318) 2.234 10.017 ( -0.300 1.931 3.277) 3.816 10.039 ( -2.128 0.183 -0.755) 2.265 10.197 ( 0.255 -1.088 -3.447) 3.623 10.293 ( 2.999 -5.982 4.156) 7.877 10.360 ( -1.318 8.401 4.334) 9.544 10.563 ( 3.352 -7.918 4.423) 9.669 10.686 ( 2.022 5.650 1.026) 6.088 10.765 ( -0.494 -1.483 1.493) 2.162 10.924 ( -0.204 3.943 -6.281) 7.419 10.956 ( -3.438 -1.574 -5.995) 7.088 11.147 ( 2.306 6.844 -0.392) 7.232 11.186 ( 3.707 2.557 0.781) 4.571 11.208 ( 0.801 0.559 1.829) 2.074 11.304 ( 2.233 -4.097 -1.784) 4.996 11.330 ( -1.517 8.486 -4.228) 9.601 11.500 ( 3.501 -4.050 -0.625) 5.390 11.561 ( -3.173 -3.746 3.423) 5.985 11.573 ( 0.926 -3.500 0.347) 3.637 11.675 ( -1.364 2.724 -3.567) 4.691 11.753 ( 1.936 1.671 -1.473) 2.951 11.788 ( 2.622 -3.455 -6.125) 7.505 11.874 ( -3.107 -12.900 -0.222) 13.271 12.132 ( -5.064 2.492 -0.149) 5.646 12.192 ( -5.281 -0.733 -6.390) 8.322 12.391 ( 0.900 5.220 8.818) 10.286 12.475 ( 4.748 -1.551 8.035) 9.461 12.556 ( 5.295 6.855 -5.571) 10.299 12.685 ( 2.618 -2.687 -2.041) 4.271 12.759 ( 3.413 -1.136 3.082) 4.737 12.821 ( -0.996 -9.144 2.012) 9.415 12.965 ( 3.940 -0.247 -0.254) 3.956 12.986 ( 3.663 -2.012 -1.761) 4.534 13.094 ( -1.944 0.980 0.342) 2.204 13.148 ( -0.529 -2.931 5.358) 6.130 13.229 ( 7.536 -2.598 0.106) 7.972 13.255 ( 9.486 -4.031 2.554) 10.618 13.439 ( -1.955 0.127 -2.643) 3.290 13.450 ( 2.230 -0.706 0.676) 2.434 13.693 ( 3.639 3.822 -4.041) 6.646 13.748 ( 3.138 -1.553 -4.701) 5.862 14.019 ( 3.049 8.563 -0.836) 9.128 14.123 ( 5.553 6.548 -2.790) 9.027 14.261 ( 7.250 -5.570 -4.596) 10.233 14.319 ( -3.920 -6.179 -2.502) 7.734 14.639 ( -2.492 4.167 -2.869) 5.640 14.680 ( 1.362 -1.415 -1.750) 2.631 14.770 ( -3.306 -4.390 -6.991) 8.892 14.819 ( 1.603 -6.394 -9.923) 11.913 15.265 ( -2.961 0.665 1.260) 3.286 15.301 ( 0.511 -1.880 2.316) 3.026 15.576 ( 6.253 10.329 6.831) 13.873 15.663 ( -2.709 3.292 -0.158) 4.266 15.705 ( 8.437 -2.370 4.475) 9.840 15.792 ( -8.799 -7.314 -2.876) 11.798 16.029 ( -4.437 6.326 1.895) 7.956 16.079 ( -5.739 1.283 1.673) 6.114 16.428 ( -7.020 4.340 10.821) 13.609 16.553 ( -2.774 -7.424 6.097) 9.999 16.912 ( 0.980 2.505 -3.205) 4.184 16.965 ( -0.062 -2.766 -3.634) 4.568 17.839 ( -3.515 2.524 1.713) 4.654 17.897 ( -3.060 -3.180 0.431) 4.435 18.133 ( -1.953 2.965 -1.157) 3.734 18.165 ( -1.603 -0.303 -1.758) 2.399 21.138 ( 1.238 2.656 0.448) 2.964 21.204 ( 1.354 -3.428 -0.942) 3.804 21.410 ( 1.779 4.466 4.062) 6.293 21.553 ( 3.259 -9.297 1.248) 9.931 22.177 ( -0.087 6.673 3.128) 7.370 22.293 ( 0.320 -4.778 1.788) 5.112 22.631 ( 0.543 6.783 -2.651) 7.303 22.747 ( -1.175 -4.716 -4.393) 6.552 22.910 ( 1.688 6.910 4.785) 8.573 22.991 ( 1.947 -0.253 2.725) 3.359 23.456 ( -1.289 7.212 -6.453) 9.763 23.590 ( -0.200 -7.355 -10.648) 12.942 23.669 ( 0.865 8.147 0.169) 8.194 23.816 ( 0.193 -6.678 -0.362) 6.691 23.859 ( -0.532 4.245 6.850) 8.077 24.063 ( -5.884 -13.565 8.888) 17.252 24.312 ( 4.807 3.388 -7.656) 9.654 24.378 ( 2.950 -3.409 -6.744) 8.112 24.703 ( -2.851 2.940 -1.769) 4.460 24.767 ( 0.290 -3.478 -2.728) 4.430 25.095 ( 2.325 3.560 7.593) 8.702 25.137 ( 4.370 -0.858 5.650) 7.194 25.765 ( -13.869 6.206 -0.165) 15.195 25.829 ( -11.548 -0.212 -2.362) 11.789 26.926 ( 0.944 -0.086 0.480) 1.062 26.933 ( 1.194 -0.731 0.227) 1.418 27.022 ( 1.544 0.545 0.025) 1.638 27.051 ( 2.152 -2.313 -0.912) 3.288 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.376 4.048 4.318) 5.930 1.795 ( 1.458 -0.716 4.311) 4.607 1.873 ( -5.769 6.082 -0.217) 8.386 1.949 ( 1.889 -3.291 3.669) 5.278 2.006 ( -8.121 1.418 -1.954) 8.472 2.091 ( -11.985 -1.808 -2.054) 12.294 2.124 ( -1.777 0.962 1.438) 2.480 2.175 ( -1.672 -2.075 1.227) 2.933 2.313 ( -2.272 2.919 0.661) 3.758 2.395 ( -3.066 -5.681 -0.544) 6.478 2.507 ( -0.089 4.278 -1.338) 4.483 2.557 ( 7.213 0.317 1.046) 7.295 2.581 ( 7.710 2.547 0.343) 8.127 2.638 ( -0.926 -1.822 2.787) 3.456 2.679 ( 2.718 1.840 1.033) 3.441 2.737 ( 3.451 -1.934 -0.901) 4.057 2.805 ( 1.951 4.858 1.937) 5.582 2.851 ( 1.733 0.016 3.014) 3.477 2.883 ( 2.652 -4.010 -1.044) 4.920 2.946 ( -2.700 -5.366 2.904) 6.672 3.021 ( -5.723 -1.598 -0.396) 5.955 3.037 ( -2.061 -4.745 1.405) 5.361 3.213 ( -2.417 3.827 1.292) 4.707 3.275 ( -2.048 -0.851 1.639) 2.758 3.375 ( -2.945 1.966 -2.216) 4.177 3.407 ( -5.330 0.299 -2.696) 5.981 3.461 ( -5.113 1.801 -0.318) 5.430 3.465 ( -5.757 7.436 -4.122) 10.268 3.506 ( -1.023 -2.739 -2.331) 3.739 3.591 ( -1.363 -2.907 -6.773) 7.496 3.735 ( -0.746 2.321 3.388) 4.174 3.756 ( 3.501 1.189 1.687) 4.064 3.775 ( 2.403 -0.439 4.673) 5.273 3.856 ( 3.286 -3.949 1.385) 5.321 4.055 ( -7.227 0.909 -2.127) 7.588 4.075 ( 3.015 6.806 0.373) 7.453 4.083 ( -7.330 -0.988 0.957) 7.458 4.205 ( 2.881 -1.301 -2.608) 4.098 4.284 ( 0.522 2.421 3.558) 4.335 4.425 ( 4.195 -6.397 -1.061) 7.723 4.455 ( 4.544 5.872 -0.405) 7.436 4.579 ( 1.648 -4.576 -1.413) 5.065 4.652 ( 0.023 1.153 1.043) 1.555 4.735 ( 4.900 -5.906 -1.561) 7.831 4.849 ( -0.173 2.130 5.230) 5.649 4.913 ( 1.161 -3.323 3.175) 4.740 5.113 ( 5.800 4.391 -2.789) 7.791 5.180 ( 2.811 -2.085 -4.343) 5.577 5.308 ( 2.408 2.308 2.350) 4.081 5.341 ( 4.478 -0.723 4.389) 6.312 5.585 ( -7.437 3.966 -4.636) 9.620 5.634 ( -8.039 -0.489 -4.365) 9.160 5.886 ( -4.077 2.840 -5.240) 7.222 5.938 ( -2.685 -1.704 -4.672) 5.651 6.031 ( 3.072 3.422 2.013) 5.020 6.055 ( 3.423 -0.151 -1.037) 3.580 6.276 ( 0.914 4.135 3.020) 5.201 6.371 ( -0.031 -3.181 5.150) 6.053 6.487 ( -0.140 4.976 -0.706) 5.027 6.566 ( -3.107 -2.544 -0.863) 4.108 6.739 ( 0.157 0.736 1.523) 1.699 6.779 ( -0.423 -3.042 2.309) 3.842 6.943 ( 5.718 6.774 -3.261) 9.445 7.048 ( 2.965 -4.007 -3.163) 5.903 7.295 ( 8.271 16.164 3.748) 18.541 7.573 ( 6.202 6.205 -6.609) 10.984 7.649 ( 4.152 -10.589 3.404) 11.873 7.790 ( -1.953 -8.368 -6.175) 10.582 8.439 ( -4.389 3.149 1.272) 5.549 8.474 ( -3.451 0.665 0.258) 3.524 8.612 ( -1.294 0.678 -0.940) 1.737 8.634 ( -0.884 -1.786 -1.242) 2.348 8.787 ( -5.699 3.471 2.911) 7.280 8.868 ( -7.950 -4.459 1.858) 9.303 8.904 ( -0.097 2.708 6.178) 6.746 9.012 ( 1.007 -1.305 4.524) 4.815 9.038 ( -0.009 -4.894 4.261) 6.489 9.066 ( -3.632 -1.429 7.730) 8.659 9.116 ( 0.922 2.298 -0.257) 2.489 9.210 ( 0.689 -5.232 7.339) 9.040 9.383 ( -0.232 2.567 -3.377) 4.249 9.437 ( 4.855 -0.889 -1.128) 5.063 9.529 ( 2.713 2.762 -0.863) 3.966 9.616 ( 3.802 -3.108 5.614) 7.458 9.720 ( -2.436 1.325 -2.170) 3.521 9.754 ( -0.951 -2.575 3.535) 4.476 9.848 ( -1.828 6.074 -6.078) 8.785 10.000 ( -0.155 -6.583 -3.683) 7.545 10.029 ( 4.562 3.128 -0.085) 5.532 10.082 ( 4.858 -1.105 3.099) 5.867 10.214 ( 2.107 5.409 -1.440) 5.981 10.329 ( 0.145 -1.880 2.969) 3.517 10.482 ( 5.761 4.927 8.201) 11.168 10.641 ( -1.242 -3.589 6.518) 7.544 10.714 ( 1.406 1.403 -2.861) 3.483 10.737 ( -1.438 0.620 2.498) 2.948 10.839 ( -1.561 1.217 -4.952) 5.333 10.885 ( -0.924 -3.906 -4.210) 5.817 11.130 ( 1.049 9.202 -5.903) 10.983 11.178 ( -3.930 7.245 -2.126) 8.512 11.238 ( -1.486 -2.224 -6.717) 7.230 11.274 ( -0.294 -1.312 5.151) 5.323 11.426 ( 6.392 2.389 2.429) 7.243 11.482 ( -6.106 -0.725 2.745) 6.734 11.524 ( -4.643 -0.992 0.630) 4.790 11.575 ( 3.285 -1.292 -1.181) 3.722 11.642 ( 2.482 -0.540 -5.101) 5.698 11.758 ( -2.807 -11.605 -2.902) 12.287 11.842 ( 5.288 1.764 -5.782) 8.031 11.868 ( 7.106 -1.853 -2.623) 7.798 12.028 ( -4.926 1.743 0.139) 5.227 12.112 ( -2.149 -5.895 -0.204) 6.278 12.434 ( -1.407 4.793 7.198) 8.761 12.536 ( -3.308 -2.588 4.935) 6.480 12.585 ( 2.144 5.262 -7.472) 9.387 12.707 ( -0.771 -5.178 -1.855) 5.554 12.792 ( 0.679 1.835 3.644) 4.136 12.845 ( -1.357 -1.789 7.528) 7.855 12.943 ( -6.313 -0.084 1.173) 6.422 12.980 ( -2.811 -6.096 0.190) 6.715 13.056 ( -3.260 2.434 -0.530) 4.102 13.145 ( -4.415 -5.001 -0.626) 6.700 13.238 ( -4.253 0.079 2.315) 4.843 13.303 ( -4.842 -5.563 -0.273) 7.380 13.389 ( -0.099 4.783 0.508) 4.811 13.516 ( 1.434 -6.251 2.251) 6.797 13.685 ( -0.526 2.755 -3.974) 4.864 13.728 ( -1.641 -1.057 -5.912) 6.226 14.052 ( 0.713 11.585 -1.648) 11.723 14.248 ( 0.893 6.817 2.999) 7.501 14.272 ( 5.574 -5.814 -4.740) 9.345 14.364 ( 3.665 -3.464 -4.371) 6.674 14.541 ( -1.278 3.058 -5.248) 6.207 14.636 ( -3.884 -0.918 -3.479) 5.295 14.722 ( 2.288 -3.123 -9.401) 10.167 14.857 ( 3.601 -12.547 -9.667) 16.243 15.219 ( -1.016 5.741 3.726) 6.919 15.315 ( -0.632 -2.114 4.137) 4.689 15.530 ( -0.730 -2.269 4.192) 4.822 15.535 ( -9.437 -3.533 -1.416) 10.176 15.786 ( 1.495 5.124 2.788) 6.023 15.859 ( -1.860 -1.062 -0.260) 2.158 16.045 ( 4.064 4.513 1.299) 6.211 16.076 ( 8.178 1.212 2.106) 8.531 16.379 ( -4.476 6.866 10.622) 13.416 16.536 ( -2.737 -8.174 5.771) 10.374 16.922 ( 1.731 2.196 -2.810) 3.964 16.966 ( 2.308 -2.223 -3.632) 4.843 17.817 ( 0.641 2.663 0.868) 2.874 17.877 ( 1.091 -3.340 0.072) 3.514 18.148 ( 4.062 3.018 -0.815) 5.125 18.181 ( 4.008 -0.299 -1.144) 4.179 21.160 ( 0.108 2.694 1.164) 2.937 21.215 ( -0.010 -1.847 -1.161) 2.181 21.444 ( -1.305 2.812 5.537) 6.346 21.584 ( -1.228 -10.494 1.845) 10.725 22.191 ( -0.995 7.018 3.886) 8.083 22.309 ( -0.327 -4.601 2.502) 5.247 22.595 ( -1.795 4.012 -3.655) 5.716 22.672 ( -2.590 -3.482 -4.975) 6.602 22.993 ( 2.833 6.942 5.645) 9.386 23.076 ( 3.649 -0.164 4.803) 6.034 23.354 ( -3.237 4.694 -8.176) 9.968 23.488 ( -2.128 -8.424 -11.485) 14.402 23.648 ( -5.321 8.959 0.992) 10.467 23.767 ( -3.031 -0.930 -1.094) 3.354 23.909 ( -0.164 -0.097 3.797) 3.802 23.998 ( 0.711 -7.722 3.896) 8.679 24.412 ( 6.610 3.207 -7.522) 10.514 24.459 ( 6.418 -2.151 -2.984) 7.398 24.664 ( 0.570 4.240 0.782) 4.349 24.788 ( 4.740 -7.460 -3.243) 9.415 25.049 ( -10.202 4.475 5.915) 12.613 25.115 ( -10.736 -2.005 6.342) 12.629 25.742 ( 12.156 8.146 -1.119) 14.676 25.839 ( 12.766 -1.724 -1.653) 12.987 26.922 ( -1.611 0.185 0.297) 1.649 26.936 ( -1.166 -1.226 0.404) 1.740 27.020 ( -1.580 1.170 -0.153) 1.972 27.061 ( -0.678 -2.810 -0.578) 2.948 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -17.323 14.671 -0.858) 22.717 1.683 ( -10.667 11.669 3.127) 16.116 1.767 ( -7.294 -3.074 -3.348) 8.594 1.870 ( -5.422 -8.516 6.663) 12.096 1.987 ( -0.400 1.459 -5.067) 5.288 2.034 ( -0.683 -2.711 -3.113) 4.184 2.099 ( 3.050 -3.565 2.909) 5.521 2.118 ( -5.514 -5.446 2.135) 8.039 2.284 ( 0.325 3.980 1.889) 4.418 2.361 ( -0.525 -3.342 -1.888) 3.874 2.443 ( -5.431 7.841 1.462) 9.649 2.586 ( -2.730 -6.280 0.710) 6.884 2.638 ( -5.606 0.397 0.355) 5.631 2.664 ( -8.197 0.130 -2.233) 8.497 2.682 ( -3.035 6.718 -0.074) 7.372 2.711 ( -1.485 2.800 2.519) 4.048 2.754 ( -1.032 0.484 0.269) 1.171 2.798 ( 2.821 -4.891 -1.363) 5.808 2.892 ( -3.358 5.488 2.052) 6.753 2.961 ( 1.860 -1.009 1.068) 2.370 3.021 ( -0.021 3.191 1.468) 3.512 3.084 ( 3.987 -1.372 1.123) 4.363 3.124 ( -3.729 4.376 0.565) 5.777 3.236 ( -0.613 -1.162 0.901) 1.593 3.278 ( -5.441 -0.428 -0.808) 5.518 3.303 ( -3.627 -0.484 3.178) 4.846 3.370 ( -1.235 -0.347 -2.770) 3.052 3.419 ( -0.581 2.451 3.102) 3.996 3.475 ( -0.857 1.042 -1.399) 1.944 3.522 ( -2.145 -4.781 -4.355) 6.814 3.630 ( -6.353 1.741 -3.889) 7.649 3.782 ( -4.392 -11.093 2.276) 12.146 3.897 ( 3.323 3.635 1.757) 5.229 3.931 ( -0.466 -2.313 -2.099) 3.158 3.939 ( 4.809 -0.481 -1.074) 4.951 4.008 ( -0.303 -3.762 2.591) 4.577 4.129 ( -0.262 7.817 4.003) 8.786 4.271 ( -0.717 -5.859 2.798) 6.532 4.314 ( 4.482 8.039 -1.629) 9.348 4.479 ( 1.503 -5.919 -3.018) 6.812 4.546 ( -2.362 3.347 2.068) 4.589 4.572 ( 5.374 1.180 -3.342) 6.437 4.703 ( 3.175 -2.832 0.785) 4.326 4.784 ( 4.041 -10.465 -2.935) 11.595 4.939 ( 1.140 2.128 2.375) 3.387 4.971 ( 4.198 -0.805 1.558) 4.549 5.152 ( 2.052 2.828 -3.758) 5.131 5.183 ( 0.168 -0.153 -5.381) 5.385 5.353 ( 0.578 5.169 -1.760) 5.491 5.412 ( -2.027 0.304 -2.300) 3.080 5.478 ( 0.818 2.967 2.361) 3.879 5.521 ( -2.376 0.314 1.624) 2.895 5.764 ( -4.013 0.468 -1.935) 4.480 5.804 ( -5.344 -4.075 -4.441) 8.055 6.054 ( -4.659 5.569 0.976) 7.326 6.135 ( -1.239 -1.418 1.542) 2.434 6.215 ( -6.200 1.121 -1.843) 6.564 6.274 ( -0.499 -3.600 4.353) 5.671 6.546 ( 5.049 5.131 0.879) 7.252 6.633 ( 4.248 -3.641 2.151) 5.995 6.880 ( 9.815 1.771 2.055) 10.183 6.909 ( 12.777 0.532 1.694) 12.900 6.998 ( 3.977 1.166 -1.684) 4.473 7.042 ( 1.309 -1.922 -4.828) 5.359 7.549 ( 8.804 14.604 3.729) 17.455 7.590 ( 5.080 6.812 -3.157) 9.065 7.775 ( 5.154 -4.966 -4.842) 8.641 7.867 ( 5.092 -9.984 3.815) 11.839 8.312 ( -7.375 3.833 3.653) 9.079 8.382 ( -5.200 -2.495 1.567) 5.977 8.529 ( -8.906 3.098 -1.897) 9.618 8.557 ( -6.574 -0.452 -3.768) 7.591 8.681 ( -0.768 2.462 0.625) 2.654 8.755 ( -0.782 -4.558 4.071) 6.161 8.924 ( -2.273 4.075 4.472) 6.463 8.982 ( -4.968 0.377 3.772) 6.249 9.071 ( -0.182 3.476 2.590) 4.339 9.102 ( 1.204 -0.767 6.140) 6.304 9.160 ( 2.601 -3.996 0.824) 4.839 9.238 ( -1.085 -8.314 4.952) 9.738 9.428 ( 4.671 2.014 4.054) 6.505 9.463 ( 1.711 -0.791 -1.086) 2.176 9.588 ( -1.861 0.851 -0.877) 2.226 9.639 ( -2.147 -3.508 1.001) 4.233 9.723 ( 5.867 8.028 -5.957) 11.591 9.794 ( 2.512 3.093 -0.139) 3.987 9.888 ( 6.290 -1.276 1.329) 6.554 9.993 ( 2.745 -9.055 -5.288) 10.839 10.147 ( 5.272 2.069 0.604) 5.695 10.214 ( 4.541 -2.720 4.197) 6.756 10.251 ( 3.309 7.642 -1.300) 8.429 10.410 ( 7.156 -4.604 3.712) 9.283 10.551 ( -3.675 3.416 0.544) 5.047 10.588 ( -5.665 -1.265 0.637) 5.839 10.689 ( -1.701 2.505 -5.559) 6.330 10.716 ( -1.348 1.095 2.222) 2.820 10.828 ( -0.928 -1.570 -2.119) 2.796 10.893 ( 3.720 -2.899 2.583) 5.377 11.096 ( -5.369 5.417 2.559) 8.044 11.153 ( 2.207 6.280 -0.952) 6.725 11.186 ( 4.006 1.907 -2.865) 5.281 11.288 ( 0.974 -1.080 -2.021) 2.490 11.372 ( -3.495 0.548 -0.875) 3.644 11.425 ( -3.524 -1.173 -0.281) 3.725 11.544 ( 2.393 0.519 1.744) 3.007 11.593 ( 0.399 0.006 -3.607) 3.629 11.692 ( 0.517 -5.394 -0.276) 5.426 11.735 ( 3.807 -8.621 -1.453) 9.535 11.896 ( 1.363 2.962 -1.327) 3.520 11.913 ( -6.401 3.664 -0.125) 7.376 12.016 ( 8.341 -1.389 -3.915) 9.318 12.075 ( -1.605 -7.600 1.519) 7.915 12.433 ( -3.478 1.379 3.731) 5.284 12.453 ( -7.649 1.344 5.021) 9.248 12.560 ( 0.231 3.740 -5.498) 6.653 12.616 ( -4.146 -1.469 -6.050) 7.480 12.698 ( -12.772 4.267 -1.303) 13.529 12.766 ( -11.219 -1.325 1.450) 11.390 12.823 ( -3.206 2.148 2.074) 4.380 12.870 ( -6.053 -3.776 -2.691) 7.625 12.989 ( -4.899 0.159 0.107) 4.903 13.031 ( -6.668 -3.758 3.571) 8.446 13.173 ( -7.087 -3.004 4.211) 8.774 13.236 ( -3.963 -7.308 2.587) 8.707 13.333 ( -3.408 2.770 3.949) 5.906 13.429 ( -6.256 -6.013 3.038) 9.194 13.643 ( 0.124 1.599 -7.606) 7.774 13.718 ( 3.983 -3.954 -5.683) 7.987 13.980 ( -6.267 12.070 -5.227) 14.570 14.189 ( -3.979 -5.992 -8.030) 10.781 14.349 ( 0.334 3.502 4.063) 5.375 14.433 ( 3.406 -0.289 1.911) 3.917 14.504 ( 0.319 0.723 -10.444) 10.474 14.537 ( -0.792 2.344 -8.032) 8.404 14.721 ( 1.007 -7.291 -1.634) 7.540 14.744 ( -2.754 -11.763 -7.345) 14.139 15.279 ( -0.914 2.957 2.335) 3.877 15.339 ( 0.589 -0.849 1.685) 1.977 15.430 ( -1.708 7.285 6.449) 9.878 15.631 ( 2.091 -10.058 8.412) 13.278 15.779 ( 2.356 3.315 -4.245) 5.879 15.809 ( 2.063 -0.550 -3.229) 3.871 16.160 ( 3.983 10.423 3.192) 11.605 16.271 ( 8.049 -0.365 1.203) 8.147 16.395 ( -0.565 4.396 11.158) 12.006 16.525 ( -2.097 -7.718 6.799) 10.497 16.939 ( 1.693 2.942 -2.711) 4.344 16.999 ( 2.970 -2.911 -3.185) 5.238 17.875 ( 4.171 2.605 1.136) 5.047 17.938 ( 4.402 -3.676 0.655) 5.772 18.267 ( 7.631 2.691 -1.273) 8.191 18.295 ( 7.528 -0.066 -1.165) 7.618 21.146 ( -1.968 2.954 -0.520) 3.587 21.186 ( -1.573 0.065 -1.735) 2.343 21.435 ( -3.062 -0.676 5.146) 6.026 21.526 ( -5.457 -9.629 0.960) 11.109 22.183 ( -2.223 7.205 3.904) 8.491 22.306 ( -1.545 -4.784 2.404) 5.573 22.521 ( -3.308 2.576 -2.566) 4.915 22.587 ( -3.029 -3.803 -3.220) 5.831 23.096 ( 3.958 7.104 4.736) 9.411 23.178 ( 3.139 2.330 -0.338) 3.924 23.246 ( -2.795 0.391 -1.587) 3.238 23.356 ( -3.476 -5.613 -9.953) 11.943 23.554 ( -3.287 4.785 0.734) 5.852 23.671 ( -4.958 -5.892 2.801) 8.194 23.987 ( 3.761 4.332 3.214) 6.576 24.051 ( 1.263 -2.949 1.425) 3.510 24.412 ( 0.900 8.163 -11.569) 14.188 24.535 ( 2.176 -5.050 -2.391) 5.996 24.757 ( 6.347 5.654 0.170) 8.502 24.847 ( -2.284 -2.421 0.168) 3.332 24.910 ( -5.052 4.197 5.446) 8.532 25.052 ( 8.173 -8.700 3.817) 12.532 26.068 ( 17.812 9.345 -0.378) 20.118 26.172 ( 18.433 -0.924 -0.750) 18.471 26.869 ( -3.598 0.670 0.073) 3.661 26.890 ( -3.548 -1.469 0.413) 3.863 26.965 ( -3.416 1.798 -0.273) 3.869 27.027 ( -1.788 -4.255 -0.504) 4.643 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -9.842 21.010 2.207) 23.306 1.398 ( -16.521 17.953 4.059) 24.733 1.620 ( -5.250 -11.548 -1.992) 12.840 1.735 ( -10.174 -13.284 -1.643) 16.813 1.909 ( -2.488 0.442 1.874) 3.146 1.940 ( -2.870 -2.574 -2.186) 4.432 2.087 ( -0.042 0.547 1.432) 1.533 2.161 ( -1.100 -6.624 -1.088) 6.802 2.247 ( -5.149 12.314 3.864) 13.895 2.332 ( -1.535 -0.609 -0.827) 1.846 2.401 ( 0.534 10.254 4.228) 11.104 2.492 ( -0.895 0.067 0.979) 1.328 2.547 ( -3.624 12.070 -1.967) 12.755 2.573 ( -4.543 0.124 4.065) 6.098 2.612 ( -2.888 -0.191 1.774) 3.394 2.710 ( -0.102 5.777 -1.883) 6.077 2.767 ( 0.588 1.656 2.191) 2.809 2.812 ( 0.138 -2.091 3.896) 4.424 2.844 ( 1.957 -3.096 0.631) 3.717 2.975 ( -2.133 -3.512 0.767) 4.181 3.026 ( -3.855 2.988 0.108) 4.879 3.051 ( -2.588 0.951 -0.450) 2.793 3.166 ( 0.914 3.236 0.796) 3.455 3.208 ( -1.410 3.215 -1.039) 3.661 3.229 ( 3.024 -0.991 -1.719) 3.617 3.295 ( 0.032 -2.961 0.732) 3.051 3.333 ( 1.656 -2.542 -3.307) 4.487 3.412 ( 0.639 0.827 3.998) 4.132 3.453 ( -1.780 -9.768 0.438) 9.939 3.520 ( -1.039 -0.883 -2.208) 2.595 3.537 ( -0.081 -0.570 1.164) 1.299 3.668 ( -5.602 -17.097 -0.553) 18.000 3.852 ( -5.541 0.493 -3.096) 6.366 3.881 ( -3.309 -0.700 -3.007) 4.526 4.022 ( -0.197 2.263 2.521) 3.393 4.042 ( 0.536 1.558 0.759) 1.814 4.154 ( 0.946 6.132 3.951) 7.356 4.189 ( -8.106 2.119 1.156) 8.457 4.368 ( 0.665 -0.582 -2.737) 2.876 4.471 ( 2.256 -9.318 -3.978) 10.380 4.517 ( -0.585 5.828 0.467) 5.876 4.623 ( 0.676 -3.442 -1.742) 3.916 4.763 ( 3.968 1.240 -1.960) 4.596 4.862 ( 4.180 -7.055 -2.753) 8.650 4.959 ( 2.287 5.697 -1.285) 6.272 5.058 ( 1.754 -2.742 2.594) 4.162 5.117 ( -2.194 1.919 -2.859) 4.083 5.160 ( 0.255 -1.647 -0.555) 1.756 5.325 ( -0.200 3.556 -4.785) 5.965 5.393 ( -0.001 -2.279 -4.107) 4.697 5.489 ( 0.012 3.088 1.242) 3.328 5.520 ( 0.585 1.834 4.232) 4.649 5.714 ( -0.686 -2.160 -0.030) 2.267 5.728 ( -0.490 -2.740 -0.855) 2.911 5.947 ( -5.372 1.688 2.150) 6.028 5.971 ( -5.200 -0.577 -0.284) 5.239 6.268 ( 3.066 2.803 4.498) 6.123 6.338 ( 1.673 -5.046 4.923) 7.246 6.623 ( 1.541 3.510 -1.776) 4.225 6.667 ( 0.638 -1.215 -2.660) 2.993 6.983 ( 5.564 4.736 -5.755) 9.301 7.080 ( 6.989 -4.138 -3.145) 8.710 7.217 ( 10.521 4.031 -0.831) 11.297 7.256 ( 14.722 0.188 3.920) 15.236 7.636 ( -1.841 7.725 2.519) 8.331 7.741 ( 4.568 2.415 4.368) 6.766 7.787 ( -9.677 -4.585 3.063) 11.138 7.875 ( 7.947 -8.091 7.731) 13.725 8.137 ( -14.827 5.775 -0.662) 15.925 8.225 ( -14.797 -2.459 -4.746) 15.733 8.388 ( -0.812 1.116 1.515) 2.049 8.450 ( 0.638 -3.495 -0.581) 3.600 8.792 ( 11.559 7.981 -3.181) 14.403 8.847 ( 0.059 2.625 1.378) 2.965 8.921 ( -2.155 2.461 4.483) 5.550 8.930 ( 6.559 -0.301 1.556) 6.748 9.066 ( -0.239 4.786 -0.239) 4.798 9.106 ( -4.308 0.052 3.585) 5.605 9.219 ( 2.209 -3.322 1.339) 4.208 9.271 ( 1.953 -4.061 -6.310) 7.754 9.430 ( -1.143 1.734 -0.539) 2.146 9.488 ( -2.809 -3.199 -1.799) 4.622 9.631 ( 5.990 0.784 3.603) 7.034 9.678 ( 6.742 -1.121 6.079) 9.147 9.805 ( 3.029 2.547 -2.939) 4.929 9.876 ( 6.117 2.459 0.650) 6.624 9.974 ( -0.675 -4.951 -2.103) 5.421 10.043 ( 4.948 -4.342 -2.416) 7.012 10.196 ( -1.857 1.088 0.917) 2.340 10.251 ( -0.959 -5.214 2.549) 5.882 10.352 ( 2.335 6.904 1.354) 7.412 10.396 ( -7.299 2.624 -2.236) 8.072 10.497 ( 0.160 3.494 2.473) 4.284 10.607 ( 2.921 -1.070 1.457) 3.436 10.667 ( 0.070 2.290 -1.788) 2.906 10.683 ( 5.343 -3.447 -2.805) 6.950 10.810 ( -1.660 -0.298 3.576) 3.954 10.982 ( 0.781 -12.099 4.239) 12.844 11.014 ( -2.880 9.001 4.464) 10.452 11.106 ( -6.580 -2.961 4.772) 8.651 11.253 ( -3.883 3.435 0.346) 5.196 11.314 ( 9.708 10.843 -5.524) 15.568 11.378 ( 2.558 0.980 -4.476) 5.248 11.451 ( 7.572 -6.633 -3.532) 10.668 11.558 ( 0.139 1.347 -5.441) 5.607 11.581 ( 0.435 -3.890 -0.214) 3.920 11.695 ( -0.415 -1.210 3.404) 3.636 11.725 ( -6.980 -2.435 -3.555) 8.203 11.796 ( -4.020 -1.254 0.878) 4.301 11.912 ( -0.825 -3.970 3.502) 5.358 12.066 ( 0.671 1.140 -3.961) 4.176 12.096 ( 2.096 -0.149 -2.960) 3.630 12.292 ( -6.725 3.836 2.381) 8.100 12.355 ( -6.083 -2.673 2.407) 7.067 12.364 ( -15.160 4.807 -3.004) 16.185 12.452 ( -13.133 -3.053 -2.829) 13.777 12.569 ( -0.861 1.576 -3.463) 3.901 12.577 ( -1.825 0.129 -3.543) 3.988 12.692 ( -6.929 2.256 0.132) 7.289 12.758 ( -9.308 -2.177 -0.401) 9.568 12.818 ( -1.895 0.021 2.545) 3.173 12.882 ( -5.764 -4.311 1.200) 7.298 13.112 ( -4.302 0.534 6.046) 7.439 13.211 ( -0.290 -7.690 1.430) 7.827 13.310 ( -1.522 -1.925 -1.016) 2.656 13.341 ( -5.010 -5.563 -1.122) 7.570 13.616 ( 0.571 5.892 -6.948) 9.128 13.736 ( 0.199 -1.617 -8.988) 9.135 13.837 ( -0.580 7.772 -2.013) 8.049 13.997 ( -5.362 -5.235 -12.808) 14.840 14.351 ( -2.383 0.386 6.037) 6.502 14.409 ( -5.490 -5.161 4.454) 8.753 14.508 ( 5.463 1.851 -0.437) 5.784 14.558 ( 5.066 -1.988 -3.578) 6.514 14.722 ( 2.377 -0.009 -0.129) 2.381 14.788 ( 3.138 -5.785 0.354) 6.590 15.210 ( -4.689 3.085 -1.099) 5.719 15.282 ( -2.632 -3.740 -4.877) 6.685 15.451 ( -2.707 8.422 0.397) 8.855 15.573 ( -3.732 -2.718 -7.492) 8.800 15.897 ( 7.218 4.240 1.770) 8.557 15.974 ( 8.265 -3.430 8.839) 12.578 16.235 ( 0.904 11.791 5.833) 13.186 16.372 ( 1.514 -0.680 1.038) 1.958 16.495 ( 2.487 -0.316 8.647) 9.003 16.552 ( -0.481 -6.925 10.250) 12.379 16.953 ( 1.369 4.133 -2.450) 4.996 17.041 ( 2.641 -4.223 -1.881) 5.325 17.976 ( 4.025 2.536 2.137) 5.215 18.040 ( 4.173 -3.815 1.723) 5.910 18.403 ( 6.089 2.713 -2.273) 7.043 18.436 ( 6.490 -0.510 -2.246) 6.886 21.090 ( -2.019 3.387 -1.310) 4.155 21.145 ( -1.139 -1.187 -1.444) 2.189 21.376 ( -5.953 -2.759 0.595) 6.588 21.403 ( -4.772 -4.197 -0.435) 6.370 22.162 ( -2.195 6.907 3.957) 8.257 22.285 ( -1.921 -5.031 2.853) 6.095 22.450 ( -2.151 2.995 -0.374) 3.706 22.525 ( -1.492 -4.519 -0.447) 4.780 23.120 ( -2.299 5.175 -6.352) 8.509 23.195 ( -2.063 -1.261 -8.454) 8.793 23.210 ( 2.796 5.880 6.438) 9.156 23.342 ( 3.412 -4.329 4.690) 7.238 23.526 ( -0.649 3.132 2.200) 3.882 23.626 ( -2.135 -6.383 4.591) 8.147 24.033 ( -0.390 2.269 0.355) 2.329 24.059 ( -0.750 -0.646 -0.708) 1.217 24.380 ( 2.596 6.059 -7.321) 9.851 24.519 ( -1.496 -7.899 -2.807) 8.515 24.761 ( -2.242 1.752 0.283) 2.859 24.811 ( -1.120 -3.593 0.548) 3.803 25.064 ( 12.414 13.381 2.082) 18.371 25.297 ( 11.318 -10.314 -1.402) 15.376 26.382 ( 11.647 9.809 1.097) 15.267 26.489 ( 11.456 -0.813 -0.654) 11.503 26.790 ( -3.627 0.693 0.156) 3.696 26.812 ( -3.860 -1.401 0.243) 4.113 26.904 ( -1.769 3.647 0.134) 4.055 27.012 ( 1.396 -6.361 -1.333) 6.647 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -7.178 0.000 21.432) 22.602 1.111 ( 3.220 0.000 25.348) 25.552 1.413 ( 5.875 0.000 -16.227) 17.257 1.469 ( 3.080 0.000 -0.164) 3.084 1.742 ( -1.324 0.000 -5.844) 5.992 1.764 ( -3.046 0.000 -2.849) 4.171 2.167 ( 3.507 0.000 3.528) 4.975 2.196 ( 1.630 0.000 0.698) 1.773 2.248 ( 0.722 0.000 3.338) 3.415 2.319 ( -4.831 0.000 -2.623) 5.498 2.383 ( -3.485 0.000 -0.387) 3.507 2.393 ( 4.866 0.000 0.006) 4.866 2.534 ( 2.936 0.000 5.621) 6.341 2.591 ( 1.128 0.000 10.482) 10.543 2.593 ( -1.634 0.000 -1.798) 2.429 2.652 ( -3.821 0.000 6.195) 7.279 2.689 ( 0.323 0.000 -2.468) 2.489 2.832 ( 0.456 0.000 0.418) 0.619 2.836 ( 1.189 0.000 -2.472) 2.744 2.861 ( -0.965 0.000 -2.613) 2.786 2.919 ( -1.377 0.000 1.609) 2.118 3.109 ( 0.923 0.000 -13.261) 13.294 3.144 ( -0.453 0.000 2.607) 2.646 3.188 ( -2.589 0.000 -5.645) 6.211 3.253 ( 0.806 0.000 -0.231) 0.838 3.276 ( 1.447 0.000 -3.816) 4.081 3.399 ( -3.499 0.000 4.640) 5.811 3.403 ( 6.235 0.000 1.813) 6.493 3.517 ( -2.906 0.000 6.669) 7.275 3.574 ( 3.725 0.000 0.012) 3.725 3.613 ( -5.432 0.000 0.561) 5.461 3.735 ( 1.774 0.000 -8.532) 8.715 3.839 ( -3.668 0.000 5.157) 6.328 3.944 ( 0.283 0.000 -4.257) 4.266 3.946 ( 3.434 0.000 6.418) 7.279 4.083 ( 0.820 0.000 -7.403) 7.448 4.091 ( -1.581 0.000 8.467) 8.614 4.193 ( -3.828 0.000 -2.715) 4.693 4.234 ( 5.746 0.000 1.543) 5.950 4.364 ( -0.888 0.000 -10.999) 11.034 4.666 ( 2.146 0.000 3.148) 3.810 4.745 ( -6.261 0.000 -4.028) 7.445 4.800 ( 0.073 0.000 0.616) 0.621 4.816 ( 1.674 0.000 -0.667) 1.802 5.030 ( 0.088 0.000 5.283) 5.283 5.100 ( -6.954 0.000 -2.703) 7.461 5.111 ( 7.955 0.000 -0.344) 7.963 5.171 ( -1.701 0.000 -4.861) 5.150 5.252 ( 2.698 0.000 5.452) 6.083 5.326 ( -3.979 0.000 -1.997) 4.452 5.326 ( 5.503 0.000 -1.807) 5.792 5.349 ( -0.213 0.000 -4.439) 4.444 5.923 ( -0.792 0.000 3.323) 3.416 5.924 ( -0.256 0.000 3.120) 3.131 6.083 ( 3.325 0.000 4.601) 5.677 6.132 ( 0.533 0.000 -0.526) 0.749 6.300 ( -1.517 0.000 4.931) 5.160 6.383 ( 0.964 0.000 -3.674) 3.798 6.636 ( -2.140 0.000 3.910) 4.457 6.737 ( 4.217 0.000 -6.507) 7.754 6.876 ( 8.152 0.000 0.064) 8.152 6.981 ( -11.816 0.000 -9.759) 15.326 7.333 ( -0.064 0.000 4.841) 4.842 7.415 ( 3.382 0.000 -3.993) 5.232 7.647 ( 8.688 0.000 0.116) 8.688 7.655 ( -13.259 0.000 -0.120) 13.259 7.754 ( -2.514 0.000 1.771) 3.075 7.768 ( 0.268 0.000 -0.166) 0.315 7.900 ( -8.371 0.000 1.084) 8.441 7.911 ( 6.007 0.000 -0.419) 6.022 8.478 ( 2.850 0.000 2.211) 3.607 8.494 ( -10.097 0.000 0.215) 10.100 8.708 ( 5.233 0.000 2.403) 5.759 8.729 ( -0.051 0.000 -0.090) 0.104 8.850 ( 12.635 0.000 7.344) 14.614 8.907 ( -16.499 0.000 1.927) 16.611 9.182 ( 12.945 0.000 4.894) 13.839 9.200 ( -7.342 0.000 0.855) 7.391 9.280 ( 5.039 0.000 -7.138) 8.738 9.327 ( -6.674 0.000 -9.806) 11.862 9.404 ( 2.952 0.000 2.126) 3.638 9.439 ( 1.369 0.000 -1.310) 1.894 9.598 ( 0.535 0.000 2.646) 2.700 9.643 ( -4.804 0.000 -0.332) 4.815 9.822 ( -1.783 0.000 2.002) 2.681 9.866 ( -1.998 0.000 -1.904) 2.760 10.015 ( -3.232 0.000 5.395) 6.289 10.141 ( 2.618 0.000 -5.827) 6.389 10.285 ( 9.140 0.000 4.490) 10.183 10.325 ( 4.624 0.000 4.191) 6.241 10.368 ( -6.645 0.000 -2.015) 6.944 10.377 ( -1.365 0.000 0.623) 1.501 10.543 ( 1.499 0.000 -0.117) 1.504 10.568 ( 2.680 0.000 0.636) 2.754 10.713 ( -3.892 0.000 8.995) 9.801 10.851 ( -5.279 0.000 -5.356) 7.520 10.872 ( 3.109 0.000 -4.878) 5.784 10.900 ( 4.887 0.000 -6.274) 7.953 11.013 ( 3.091 0.000 1.238) 3.330 11.038 ( -0.115 0.000 -0.641) 0.651 11.290 ( -3.537 0.000 5.639) 6.657 11.353 ( -2.440 0.000 2.445) 3.454 11.396 ( 1.212 0.000 -2.009) 2.347 11.429 ( -4.127 0.000 -9.204) 10.087 11.534 ( -6.380 0.000 6.605) 9.183 11.556 ( 11.503 0.000 0.739) 11.527 11.635 ( -8.031 0.000 -3.334) 8.696 11.665 ( -1.700 0.000 -3.901) 4.255 11.857 ( 6.138 0.000 5.110) 7.987 11.954 ( 5.380 0.000 2.343) 5.868 12.036 ( -2.322 0.000 -6.230) 6.648 12.045 ( -2.350 0.000 -2.728) 3.600 12.260 ( 7.306 0.000 3.850) 8.258 12.335 ( -5.922 0.000 -3.741) 7.004 12.375 ( -3.260 0.000 3.017) 4.441 12.404 ( 5.786 0.000 0.020) 5.786 12.564 ( -6.955 0.000 5.093) 8.620 12.605 ( -3.974 0.000 2.072) 4.481 12.618 ( 14.974 0.000 3.259) 15.324 12.676 ( 0.271 0.000 -4.581) 4.589 12.866 ( -1.182 0.000 2.362) 2.641 12.905 ( -0.930 0.000 -2.093) 2.290 13.052 ( -2.010 0.000 7.976) 8.225 13.124 ( -0.547 0.000 6.040) 6.065 13.166 ( -2.820 0.000 -7.954) 8.439 13.318 ( 1.725 0.000 -7.152) 7.357 13.390 ( -1.051 0.000 0.332) 1.102 13.468 ( 1.249 0.000 -10.383) 10.458 13.677 ( -1.010 0.000 5.946) 6.031 13.818 ( -0.351 0.000 -6.272) 6.282 14.506 ( 2.238 0.000 2.699) 3.506 14.593 ( 3.819 0.000 -5.722) 6.880 14.742 ( 5.054 0.000 1.827) 5.374 14.765 ( -2.091 0.000 -0.431) 2.135 14.893 ( -10.486 0.000 1.732) 10.628 14.924 ( 10.026 0.000 0.239) 10.029 15.073 ( -2.167 0.000 0.339) 2.194 15.076 ( 0.252 0.000 -0.032) 0.254 15.147 ( -5.818 0.000 3.718) 6.904 15.241 ( 3.579 0.000 -5.523) 6.581 15.781 ( 0.194 0.000 3.061) 3.067 15.818 ( -0.580 0.000 -0.935) 1.100 16.335 ( -0.147 0.000 3.579) 3.582 16.361 ( -1.106 0.000 0.627) 1.271 16.736 ( -0.757 0.000 3.109) 3.200 16.796 ( 0.720 0.000 -3.098) 3.181 17.216 ( 2.054 0.000 3.105) 3.723 17.288 ( -2.282 0.000 -4.090) 4.683 18.107 ( -0.939 0.000 5.662) 5.739 18.224 ( 0.285 0.000 -6.109) 6.115 18.293 ( -0.101 0.000 4.225) 4.227 18.367 ( 0.467 0.000 -3.168) 3.202 21.023 ( 1.965 0.000 1.177) 2.290 21.048 ( -1.659 0.000 -1.279) 2.094 21.319 ( -1.991 0.000 1.702) 2.619 21.372 ( -1.928 0.000 -3.638) 4.117 22.103 ( -1.611 0.000 6.689) 6.880 22.227 ( 1.133 0.000 -5.842) 5.951 22.545 ( -1.488 0.000 8.204) 8.338 22.680 ( -4.102 0.000 1.224) 4.281 22.680 ( 0.563 0.000 -5.085) 5.116 22.737 ( 3.472 0.000 -4.980) 6.071 23.352 ( 2.200 0.000 2.642) 3.438 23.369 ( -1.363 0.000 1.739) 2.209 23.715 ( -0.201 0.000 3.428) 3.433 23.740 ( 1.342 0.000 0.614) 1.476 24.043 ( -0.843 0.000 5.595) 5.658 24.224 ( 2.237 0.000 -12.005) 12.211 24.228 ( 7.595 0.000 9.070) 11.830 24.416 ( -8.231 0.000 -9.763) 12.770 24.838 ( 0.844 0.000 4.911) 4.983 24.941 ( -1.008 0.000 -5.482) 5.574 25.479 ( 6.217 0.000 5.029) 7.997 25.574 ( -3.368 0.000 -4.683) 5.768 26.387 ( -4.140 0.000 0.861) 4.228 26.393 ( 10.543 0.000 0.123) 10.543 26.760 ( 1.214 0.000 0.785) 1.446 26.777 ( -1.379 0.000 -0.837) 1.613 26.865 ( -9.268 0.000 0.903) 9.311 26.882 ( 4.361 0.000 -0.784) 4.431 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 5.088 0.000 13.119) 14.072 1.304 ( 1.116 0.000 -4.365) 4.505 1.510 ( 7.846 0.000 -18.694) 20.274 1.517 ( 13.409 0.000 10.034) 16.747 1.802 ( 5.964 0.000 0.195) 5.967 1.859 ( 8.708 0.000 0.981) 8.763 2.198 ( 0.274 0.000 -0.154) 0.314 2.237 ( 5.214 0.000 -5.279) 7.420 2.279 ( 0.520 0.000 1.055) 1.176 2.332 ( -1.318 0.000 0.506) 1.412 2.403 ( 8.321 0.000 5.230) 9.828 2.503 ( 6.121 0.000 -2.164) 6.492 2.568 ( 1.600 0.000 -3.523) 3.870 2.605 ( -1.821 0.000 4.154) 4.536 2.661 ( 8.062 0.000 2.636) 8.482 2.685 ( 2.015 0.000 -4.032) 4.508 2.730 ( -0.339 0.000 15.890) 15.894 2.849 ( 1.487 0.000 -1.631) 2.208 2.864 ( 4.039 0.000 -5.594) 6.900 2.877 ( -1.870 0.000 1.041) 2.140 2.930 ( 1.853 0.000 3.680) 4.120 3.078 ( 2.612 0.000 -7.987) 8.404 3.103 ( -2.636 0.000 3.461) 4.351 3.165 ( 1.399 0.000 -0.373) 1.447 3.228 ( 0.048 0.000 -8.485) 8.485 3.262 ( 4.316 0.000 3.515) 5.567 3.373 ( -3.715 0.000 -2.218) 4.327 3.489 ( -2.803 0.000 1.500) 3.179 3.504 ( 1.933 0.000 -3.090) 3.645 3.591 ( 0.746 0.000 9.499) 9.528 3.616 ( 1.162 0.000 -2.244) 2.527 3.699 ( -0.861 0.000 -6.692) 6.747 3.810 ( -3.426 0.000 8.842) 9.483 3.956 ( 3.736 0.000 -0.741) 3.808 4.051 ( -0.280 0.000 -7.006) 7.011 4.063 ( 2.728 0.000 1.825) 3.282 4.136 ( 0.933 0.000 -1.171) 1.498 4.180 ( 3.529 0.000 11.776) 12.293 4.260 ( -6.705 0.000 -3.361) 7.500 4.334 ( 3.822 0.000 -7.907) 8.782 4.653 ( -0.839 0.000 2.693) 2.821 4.697 ( -2.802 0.000 3.477) 4.466 4.737 ( -3.308 0.000 -2.667) 4.249 4.807 ( -0.711 0.000 0.057) 0.713 4.939 ( -6.160 0.000 1.001) 6.241 5.034 ( -2.568 0.000 6.244) 6.751 5.073 ( -2.958 0.000 -7.356) 7.928 5.191 ( -0.609 0.000 -1.631) 1.741 5.228 ( -3.307 0.000 -5.210) 6.171 5.369 ( 2.375 0.000 -3.910) 4.575 5.393 ( 8.833 0.000 2.792) 9.263 5.459 ( 5.349 0.000 -0.063) 5.349 5.895 ( -2.273 0.000 -0.073) 2.274 5.944 ( 2.078 0.000 2.183) 3.014 6.069 ( -3.811 0.000 -4.391) 5.815 6.121 ( -0.506 0.000 0.353) 0.617 6.273 ( -3.791 0.000 4.105) 5.588 6.348 ( -1.224 0.000 -1.840) 2.210 6.514 ( -10.313 0.000 1.800) 10.469 6.634 ( -9.606 0.000 -5.488) 11.063 6.786 ( -0.245 0.000 -1.380) 1.402 7.001 ( -1.246 0.000 3.270) 3.500 7.196 ( -12.141 0.000 -0.290) 12.144 7.232 ( -11.983 0.000 0.884) 12.015 7.503 ( -5.512 0.000 -2.745) 6.158 7.680 ( -10.506 0.000 -0.277) 10.510 7.873 ( 14.170 0.000 9.256) 16.925 7.892 ( 8.226 0.000 0.777) 8.262 8.017 ( 12.957 0.000 8.446) 15.466 8.111 ( 10.573 0.000 1.384) 10.663 8.250 ( -9.840 0.000 -2.984) 10.283 8.550 ( -9.623 0.000 -2.985) 10.075 8.552 ( 2.244 0.000 4.644) 5.158 8.771 ( 3.753 0.000 2.346) 4.426 8.834 ( 3.182 0.000 -1.672) 3.595 8.979 ( -5.998 0.000 -5.520) 8.151 9.158 ( 7.120 0.000 10.814) 12.948 9.243 ( -0.896 0.000 -0.567) 1.060 9.272 ( 2.705 0.000 -4.138) 4.944 9.323 ( -5.773 0.000 4.301) 7.199 9.368 ( -5.379 0.000 -3.866) 6.624 9.433 ( 4.987 0.000 -1.394) 5.178 9.645 ( -0.970 0.000 4.219) 4.329 9.686 ( -0.630 0.000 -2.283) 2.368 9.759 ( -5.012 0.000 5.077) 7.134 9.775 ( -2.639 0.000 2.400) 3.567 10.078 ( 2.437 0.000 4.602) 5.208 10.148 ( 3.790 0.000 -8.169) 9.005 10.283 ( 0.392 0.000 0.316) 0.503 10.295 ( -5.257 0.000 -5.076) 7.308 10.448 ( -3.633 0.000 -1.904) 4.102 10.451 ( 1.744 0.000 -0.663) 1.866 10.515 ( -5.787 0.000 4.864) 7.560 10.551 ( 2.634 0.000 -0.294) 2.650 10.607 ( -5.786 0.000 0.096) 5.786 10.700 ( -9.664 0.000 6.717) 11.769 10.817 ( -7.680 0.000 -0.034) 7.680 10.850 ( 1.042 0.000 -5.297) 5.398 10.902 ( -1.862 0.000 -6.310) 6.579 11.083 ( 4.748 0.000 -2.214) 5.239 11.244 ( -6.328 0.000 -2.888) 6.956 11.325 ( -1.638 0.000 7.364) 7.543 11.332 ( -4.078 0.000 -0.893) 4.175 11.403 ( 5.989 0.000 2.117) 6.352 11.477 ( 2.257 0.000 -3.557) 4.213 11.654 ( 6.020 0.000 4.582) 7.566 11.728 ( 4.080 0.000 5.773) 7.069 11.796 ( 1.334 0.000 0.253) 1.358 11.898 ( -3.451 0.000 -0.315) 3.466 11.972 ( 4.936 0.000 -10.588) 11.682 12.028 ( 1.549 0.000 -1.109) 1.905 12.061 ( -1.269 0.000 3.341) 3.574 12.256 ( 3.095 0.000 -3.689) 4.815 12.382 ( -2.472 0.000 3.332) 4.149 12.475 ( 9.983 0.000 2.600) 10.316 12.553 ( 8.744 0.000 0.870) 8.788 12.609 ( 11.576 0.000 -6.367) 13.212 12.622 ( 10.265 0.000 -8.410) 13.271 12.727 ( -1.684 0.000 -2.670) 3.157 12.850 ( 1.623 0.000 3.336) 3.710 12.989 ( 13.085 0.000 -3.456) 13.533 12.998 ( 7.989 0.000 6.484) 10.290 13.181 ( 1.908 0.000 10.431) 10.604 13.186 ( 9.717 0.000 -3.887) 10.465 13.238 ( 18.134 0.000 5.333) 18.902 13.330 ( 4.444 0.000 -10.344) 11.258 13.408 ( 2.221 0.000 2.537) 3.372 13.462 ( 3.730 0.000 -4.986) 6.227 13.713 ( -0.668 0.000 7.726) 7.755 13.788 ( 1.126 0.000 -5.535) 5.649 14.508 ( -3.164 0.000 -1.581) 3.537 14.552 ( -15.683 0.000 -3.215) 16.009 14.601 ( 2.706 0.000 -12.612) 12.899 14.686 ( -0.663 0.000 1.661) 1.788 14.942 ( 5.031 0.000 1.148) 5.161 15.038 ( -1.235 0.000 1.318) 1.806 15.079 ( -2.431 0.000 1.842) 3.050 15.123 ( 4.351 0.000 2.222) 4.886 15.161 ( 8.063 0.000 1.343) 8.174 15.314 ( 7.161 0.000 -1.784) 7.380 15.774 ( -2.672 0.000 -0.851) 2.805 15.784 ( -1.722 0.000 2.304) 2.876 16.281 ( -6.825 0.000 1.100) 6.913 16.298 ( -5.564 0.000 2.803) 6.230 16.746 ( -0.194 0.000 2.902) 2.909 16.795 ( 1.030 0.000 -2.793) 2.977 17.092 ( -13.566 0.000 0.540) 13.577 17.196 ( -5.192 0.000 0.963) 5.280 18.080 ( -5.523 0.000 6.441) 8.485 18.143 ( -4.260 0.000 -5.656) 7.081 18.263 ( -4.981 0.000 3.598) 6.144 18.297 ( -4.559 0.000 -3.918) 6.011 21.023 ( 0.270 0.000 -1.528) 1.552 21.086 ( 3.275 0.000 0.663) 3.341 21.393 ( 4.503 0.000 2.534) 5.166 21.426 ( 8.779 0.000 2.887) 9.242 22.105 ( -2.576 0.000 6.716) 7.193 22.208 ( 0.876 0.000 -5.579) 5.647 22.590 ( -1.114 0.000 9.145) 9.212 22.647 ( 1.062 0.000 2.126) 2.377 22.687 ( 3.594 0.000 -5.785) 6.811 22.802 ( 4.470 0.000 -2.282) 5.019 23.329 ( -2.685 0.000 -0.561) 2.743 23.404 ( 1.689 0.000 0.204) 1.701 23.738 ( 1.458 0.000 1.185) 1.879 23.777 ( 2.003 0.000 -2.627) 3.304 24.060 ( -1.833 0.000 4.915) 5.245 24.147 ( -3.055 0.000 -10.097) 10.549 24.245 ( -0.009 0.000 -9.395) 9.395 24.474 ( 10.007 0.000 10.053) 14.184 24.845 ( -5.096 0.000 -4.980) 7.125 24.860 ( -1.776 0.000 5.049) 5.352 25.340 ( -12.733 0.000 -9.497) 15.885 25.419 ( -12.116 0.000 7.287) 14.138 26.204 ( -12.086 0.000 -4.688) 12.963 26.325 ( -14.829 0.000 2.060) 14.972 26.790 ( 3.196 0.000 -0.545) 3.242 26.841 ( 3.347 0.000 1.710) 3.759 26.857 ( 7.945 0.000 -1.368) 8.062 26.985 ( 4.016 0.000 2.091) 4.528 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 11.914 0.000 -3.744) 12.488 1.391 ( 14.808 0.000 4.498) 15.476 1.614 ( 13.385 0.000 -14.230) 19.536 1.835 ( 6.053 0.000 2.618) 6.595 1.961 ( 10.664 0.000 13.742) 17.394 2.010 ( 6.881 0.000 -1.210) 6.986 2.197 ( 0.352 0.000 -3.234) 3.253 2.214 ( -4.626 0.000 1.409) 4.835 2.308 ( -2.241 0.000 0.182) 2.248 2.438 ( 9.260 0.000 3.016) 9.739 2.467 ( -2.134 0.000 -2.368) 3.188 2.574 ( -3.184 0.000 4.772) 5.737 2.596 ( -1.475 0.000 -3.544) 3.839 2.637 ( 1.745 0.000 5.724) 5.984 2.659 ( -8.606 0.000 1.712) 8.774 2.737 ( 4.945 0.000 -2.898) 5.732 2.837 ( -0.541 0.000 -1.847) 1.925 2.855 ( 4.897 0.000 2.717) 5.601 2.875 ( 8.607 0.000 0.727) 8.637 2.924 ( 3.349 0.000 1.573) 3.700 3.025 ( 3.495 0.000 0.703) 3.565 3.121 ( 5.228 0.000 -1.222) 5.369 3.158 ( 5.325 0.000 -11.587) 12.753 3.222 ( -0.307 0.000 6.412) 6.419 3.296 ( 10.103 0.000 -12.706) 16.233 3.301 ( 7.492 0.000 5.170) 9.103 3.402 ( -3.625 0.000 -0.629) 3.679 3.439 ( 2.041 0.000 5.455) 5.825 3.490 ( 2.672 0.000 -7.239) 7.716 3.593 ( -2.872 0.000 -5.948) 6.605 3.627 ( -0.667 0.000 -0.831) 1.065 3.648 ( -0.171 0.000 7.283) 7.285 3.795 ( -3.716 0.000 5.929) 6.998 3.952 ( -4.779 0.000 -3.983) 6.221 4.047 ( -4.512 0.000 -2.115) 4.983 4.064 ( 4.971 0.000 -4.509) 6.711 4.130 ( -3.110 0.000 7.597) 8.209 4.158 ( -1.908 0.000 6.159) 6.448 4.356 ( 5.438 0.000 13.213) 14.289 4.365 ( 2.165 0.000 -5.059) 5.503 4.514 ( -9.542 0.000 3.127) 10.041 4.646 ( -0.139 0.000 -3.705) 3.708 4.745 ( 0.546 0.000 -4.313) 4.347 4.816 ( -1.221 0.000 8.365) 8.453 4.836 ( -8.528 0.000 2.327) 8.840 4.995 ( 0.318 0.000 -6.749) 6.756 5.019 ( -2.639 0.000 4.322) 5.064 5.115 ( -4.150 0.000 -4.345) 6.008 5.178 ( 4.718 0.000 -2.211) 5.211 5.371 ( 0.378 0.000 -4.775) 4.790 5.459 ( -1.891 0.000 -1.693) 2.538 5.566 ( 4.307 0.000 -0.707) 4.365 5.871 ( 0.203 0.000 -2.989) 2.996 5.976 ( -0.965 0.000 -4.038) 4.152 5.979 ( -1.653 0.000 -4.147) 4.464 6.120 ( 0.186 0.000 5.030) 5.034 6.256 ( -7.052 0.000 -0.083) 7.053 6.279 ( -6.010 0.000 -2.026) 6.343 6.377 ( 5.654 0.000 5.033) 7.570 6.547 ( 3.024 0.000 1.072) 3.208 6.794 ( -15.310 0.000 -0.857) 15.334 6.798 ( 0.992 0.000 1.223) 1.575 7.029 ( -4.230 0.000 -0.683) 4.284 7.035 ( -8.922 0.000 2.379) 9.233 7.349 ( -6.141 0.000 -6.566) 8.990 7.418 ( -15.105 0.000 0.477) 15.113 7.855 ( -10.145 0.000 0.166) 10.146 8.030 ( 3.404 0.000 2.081) 3.989 8.292 ( 5.349 0.000 2.165) 5.770 8.381 ( 19.172 0.000 14.013) 23.747 8.446 ( 16.884 0.000 -1.129) 16.921 8.481 ( 1.213 0.000 -3.591) 3.791 8.601 ( 0.609 0.000 1.238) 1.379 8.750 ( -1.882 0.000 -4.639) 5.006 8.901 ( 6.362 0.000 3.079) 7.068 9.044 ( 6.241 0.000 -0.766) 6.287 9.209 ( -3.580 0.000 3.176) 4.786 9.219 ( -4.436 0.000 -3.477) 5.637 9.284 ( -2.089 0.000 6.243) 6.583 9.300 ( 2.045 0.000 1.586) 2.588 9.307 ( 2.824 0.000 3.078) 4.177 9.521 ( 3.024 0.000 -0.498) 3.065 9.562 ( -5.194 0.000 -0.492) 5.217 9.595 ( -3.857 0.000 2.776) 4.753 9.687 ( -4.359 0.000 3.054) 5.322 9.789 ( -1.785 0.000 6.455) 6.697 10.030 ( -6.916 0.000 -6.223) 9.304 10.137 ( -7.535 0.000 -2.836) 8.051 10.147 ( 1.511 0.000 -13.182) 13.269 10.248 ( -13.746 0.000 2.402) 13.955 10.303 ( -1.111 0.000 0.059) 1.112 10.372 ( 0.428 0.000 5.927) 5.942 10.443 ( -5.620 0.000 7.029) 8.999 10.522 ( -4.870 0.000 4.567) 6.677 10.556 ( -2.447 0.000 6.253) 6.714 10.611 ( -0.502 0.000 -1.487) 1.569 10.839 ( 8.721 0.000 -6.786) 11.050 10.878 ( 2.346 0.000 -5.301) 5.797 11.003 ( 8.508 0.000 2.828) 8.966 11.049 ( -6.059 0.000 -5.243) 8.012 11.159 ( -2.013 0.000 -1.158) 2.322 11.322 ( -1.045 0.000 3.398) 3.555 11.329 ( 3.596 0.000 0.912) 3.710 11.484 ( 1.886 0.000 -3.623) 4.084 11.539 ( 5.148 0.000 -1.608) 5.393 11.642 ( -4.375 0.000 -0.611) 4.417 11.726 ( -2.241 0.000 -3.371) 4.047 11.832 ( 0.443 0.000 -1.911) 1.962 11.877 ( -1.298 0.000 5.104) 5.267 11.964 ( 0.495 0.000 -6.686) 6.704 12.039 ( -1.318 0.000 -1.040) 1.679 12.066 ( -1.223 0.000 0.983) 1.569 12.389 ( 2.378 0.000 6.601) 7.017 12.433 ( 13.826 0.000 0.055) 13.827 12.566 ( -4.492 0.000 -4.709) 6.508 12.664 ( 5.662 0.000 2.964) 6.391 12.774 ( 10.416 0.000 0.584) 10.432 12.801 ( 11.822 0.000 -3.263) 12.264 12.900 ( 15.388 0.000 -0.067) 15.388 12.939 ( 4.337 0.000 5.146) 6.730 13.116 ( 2.808 0.000 5.655) 6.313 13.207 ( 6.887 0.000 -9.930) 12.085 13.293 ( 3.505 0.000 6.827) 7.674 13.353 ( 8.547 0.000 -5.144) 9.975 13.402 ( 0.378 0.000 -1.075) 1.140 13.406 ( 5.840 0.000 0.277) 5.846 13.577 ( 11.513 0.000 -5.526) 12.770 13.598 ( -1.490 0.000 5.281) 5.487 13.759 ( -1.791 0.000 -5.227) 5.526 13.808 ( 8.543 0.000 9.055) 12.450 14.195 ( -13.228 0.000 -8.266) 15.598 14.377 ( -6.920 0.000 -2.996) 7.541 14.619 ( 7.347 0.000 -13.786) 15.622 14.789 ( 3.705 0.000 4.964) 6.194 14.942 ( -2.458 0.000 -1.835) 3.067 14.998 ( -4.682 0.000 1.482) 4.911 15.090 ( 5.070 0.000 4.243) 6.611 15.270 ( 6.628 0.000 2.042) 6.936 15.275 ( 3.101 0.000 0.508) 3.142 15.524 ( 13.139 0.000 0.743) 13.160 15.726 ( -1.790 0.000 1.045) 2.073 15.744 ( -2.682 0.000 0.290) 2.698 16.132 ( -8.231 0.000 2.166) 8.511 16.150 ( -9.811 0.000 -0.153) 9.812 16.762 ( -0.204 0.000 2.751) 2.759 16.802 ( 1.381 0.000 -2.442) 2.806 16.827 ( -13.963 0.000 7.492) 15.846 17.056 ( -6.186 0.000 -4.890) 7.886 17.978 ( -8.021 0.000 5.480) 9.714 17.999 ( -5.620 0.000 -5.565) 7.909 18.163 ( -6.282 0.000 2.871) 6.907 18.172 ( -4.504 0.000 -3.407) 5.648 21.043 ( 2.361 0.000 -0.600) 2.436 21.146 ( 2.308 0.000 -0.590) 2.382 21.556 ( 5.753 0.000 11.708) 13.046 21.649 ( 11.151 0.000 1.211) 11.216 22.089 ( -3.119 0.000 6.356) 7.080 22.194 ( 1.363 0.000 -5.589) 5.753 22.615 ( -0.611 0.000 7.253) 7.279 22.731 ( 2.737 0.000 6.494) 7.047 22.732 ( 3.965 0.000 -5.533) 6.807 22.870 ( 3.118 0.000 -0.298) 3.132 23.264 ( -2.993 0.000 -1.415) 3.311 23.401 ( -0.689 0.000 -5.289) 5.333 23.747 ( -1.417 0.000 -9.325) 9.432 23.784 ( 1.561 0.000 -1.163) 1.947 24.015 ( -1.898 0.000 -2.832) 3.409 24.052 ( -1.019 0.000 -1.809) 2.076 24.285 ( 7.536 0.000 -6.030) 9.651 24.676 ( -7.925 0.000 -3.816) 8.796 24.736 ( 8.782 0.000 8.493) 12.217 24.845 ( -1.954 0.000 3.878) 4.342 25.079 ( -4.257 0.000 -10.127) 10.986 25.194 ( -13.806 0.000 8.663) 16.299 25.883 ( -14.250 0.000 -7.399) 16.057 25.993 ( -19.086 0.000 4.987) 19.727 26.870 ( 4.355 0.000 -0.567) 4.392 26.918 ( 2.704 0.000 1.452) 3.070 26.997 ( 6.562 0.000 -2.674) 7.086 27.053 ( 1.321 0.000 2.521) 2.846 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 11.515 0.000 6.798) 13.372 1.684 ( 11.720 0.000 -1.259) 11.788 1.863 ( 15.092 0.000 -2.618) 15.318 1.927 ( 1.972 0.000 -2.454) 3.148 2.085 ( -0.435 0.000 -4.484) 4.505 2.093 ( -1.898 0.000 5.122) 5.463 2.161 ( -5.923 0.000 2.072) 6.275 2.221 ( 7.790 0.000 -4.907) 9.206 2.320 ( -5.158 0.000 6.546) 8.334 2.337 ( -9.267 0.000 0.660) 9.290 2.380 ( -6.386 0.000 3.755) 7.409 2.474 ( -3.090 0.000 0.659) 3.160 2.605 ( 7.106 0.000 5.031) 8.707 2.615 ( 2.160 0.000 2.637) 3.409 2.740 ( 1.788 0.000 8.316) 8.506 2.781 ( 1.140 0.000 -4.141) 4.295 2.895 ( 2.891 0.000 -0.047) 2.891 2.915 ( -2.180 0.000 -0.739) 2.302 3.003 ( 1.255 0.000 2.336) 2.652 3.013 ( 0.433 0.000 -2.505) 2.542 3.059 ( 6.043 0.000 2.437) 6.516 3.173 ( 3.536 0.000 -7.949) 8.700 3.219 ( -9.795 0.000 -0.895) 9.836 3.254 ( 0.744 0.000 5.663) 5.712 3.255 ( 7.474 0.000 -8.163) 11.068 3.379 ( 0.459 0.000 -10.074) 10.084 3.446 ( -0.771 0.000 0.532) 0.937 3.471 ( 1.934 0.000 -3.176) 3.719 3.590 ( 4.326 0.000 12.002) 12.757 3.618 ( 9.493 0.000 -4.075) 10.330 3.663 ( 6.706 0.000 -5.355) 8.582 3.672 ( -5.758 0.000 8.785) 10.503 3.753 ( -0.785 0.000 0.505) 0.933 3.823 ( -2.573 0.000 -3.742) 4.541 3.958 ( -6.619 0.000 3.715) 7.590 4.054 ( -5.623 0.000 0.637) 5.659 4.091 ( 1.412 0.000 -7.616) 7.746 4.114 ( -4.859 0.000 1.696) 5.147 4.386 ( 2.440 0.000 0.445) 2.480 4.418 ( -2.463 0.000 8.999) 9.330 4.490 ( -2.066 0.000 5.076) 5.480 4.601 ( -2.356 0.000 -4.439) 5.025 4.714 ( 0.346 0.000 5.838) 5.848 4.779 ( 5.831 0.000 -2.651) 6.405 4.829 ( -2.732 0.000 2.757) 3.881 5.003 ( -0.004 0.000 5.679) 5.679 5.026 ( -2.264 0.000 -5.255) 5.722 5.029 ( 5.362 0.000 -0.176) 5.365 5.311 ( 2.658 0.000 -2.049) 3.356 5.347 ( -7.362 0.000 -1.087) 7.442 5.366 ( 6.587 0.000 -2.288) 6.973 5.579 ( -1.634 0.000 -4.963) 5.225 5.829 ( -1.242 0.000 -3.046) 3.289 5.863 ( -5.373 0.000 -5.121) 7.422 5.989 ( 2.476 0.000 -3.931) 4.646 6.053 ( -9.904 0.000 1.479) 10.013 6.192 ( 0.876 0.000 0.766) 1.164 6.204 ( 2.159 0.000 4.449) 4.946 6.493 ( 1.406 0.000 5.315) 5.498 6.624 ( 2.948 0.000 -1.026) 3.121 6.684 ( 1.648 0.000 -0.617) 1.760 6.748 ( -8.696 0.000 -0.270) 8.700 6.962 ( -0.947 0.000 0.841) 1.266 6.969 ( 1.295 0.000 4.327) 4.516 7.165 ( -7.220 0.000 -1.655) 7.407 7.207 ( -1.854 0.000 -9.910) 10.082 7.802 ( 4.232 0.000 1.801) 4.600 8.013 ( -6.254 0.000 -0.289) 6.261 8.339 ( -0.948 0.000 3.389) 3.519 8.445 ( -1.598 0.000 -3.953) 4.263 8.647 ( 3.693 0.000 -0.242) 3.701 8.663 ( 4.482 0.000 0.878) 4.567 8.772 ( 8.610 0.000 0.358) 8.618 8.827 ( 12.147 0.000 3.583) 12.665 8.989 ( -1.418 0.000 2.404) 2.791 9.022 ( -10.628 0.000 -5.011) 11.750 9.113 ( 2.636 0.000 5.024) 5.674 9.271 ( 4.917 0.000 5.095) 7.080 9.283 ( -1.409 0.000 3.136) 3.438 9.355 ( 0.784 0.000 -0.125) 0.794 9.385 ( 3.012 0.000 2.985) 4.241 9.485 ( -1.448 0.000 -1.260) 1.920 9.522 ( -3.693 0.000 2.262) 4.331 9.547 ( -3.140 0.000 2.466) 3.992 9.717 ( 4.493 0.000 0.967) 4.596 9.770 ( -3.238 0.000 8.573) 9.164 9.866 ( -2.517 0.000 -7.762) 8.160 9.982 ( -7.074 0.000 2.317) 7.444 9.999 ( -8.581 0.000 -1.057) 8.646 10.111 ( 4.380 0.000 -15.879) 16.472 10.283 ( -2.984 0.000 11.200) 11.591 10.407 ( -0.727 0.000 4.005) 4.070 10.439 ( -1.302 0.000 6.343) 6.475 10.574 ( 5.442 0.000 -2.744) 6.095 10.579 ( 2.093 0.000 6.333) 6.669 10.617 ( 0.599 0.000 7.938) 7.961 10.841 ( -10.360 0.000 -1.649) 10.491 10.852 ( 0.309 0.000 -5.972) 5.981 10.931 ( 1.861 0.000 -6.433) 6.697 10.953 ( -4.522 0.000 -9.501) 10.522 11.305 ( 7.626 0.000 7.808) 10.914 11.352 ( 2.313 0.000 0.660) 2.406 11.383 ( 0.024 0.000 0.687) 0.688 11.539 ( 5.330 0.000 -4.272) 6.831 11.558 ( 0.865 0.000 -7.108) 7.161 11.594 ( -2.608 0.000 0.652) 2.689 11.682 ( -0.381 0.000 -1.709) 1.751 11.751 ( -2.398 0.000 -6.853) 7.260 11.854 ( -3.020 0.000 4.335) 5.283 11.959 ( -6.147 0.000 2.341) 6.578 11.998 ( -0.445 0.000 -2.231) 2.275 12.006 ( 4.892 0.000 -8.156) 9.510 12.496 ( 2.655 0.000 3.129) 4.103 12.507 ( 0.661 0.000 -1.328) 1.483 12.716 ( 11.565 0.000 3.289) 12.023 12.753 ( -1.791 0.000 14.183) 14.296 12.916 ( 1.695 0.000 1.997) 2.619 13.017 ( 7.431 0.000 0.500) 7.448 13.054 ( 1.623 0.000 4.717) 4.989 13.156 ( -1.530 0.000 -9.289) 9.414 13.220 ( 7.059 0.000 -1.630) 7.245 13.232 ( 13.894 0.000 2.953) 14.204 13.363 ( -3.026 0.000 2.431) 3.882 13.369 ( -6.591 0.000 -1.156) 6.691 13.378 ( 0.716 0.000 2.902) 2.989 13.528 ( 6.177 0.000 -4.604) 7.704 13.537 ( -2.890 0.000 1.248) 3.147 13.617 ( -5.883 0.000 -5.659) 8.162 13.808 ( 12.926 0.000 -8.298) 15.360 13.893 ( -5.884 0.000 2.177) 6.274 14.035 ( 2.869 0.000 -2.763) 3.983 14.249 ( -4.165 0.000 -1.318) 4.369 14.705 ( 9.085 0.000 -13.436) 16.219 14.720 ( -9.009 0.000 -1.074) 9.073 14.891 ( -0.319 0.000 -1.566) 1.598 14.908 ( -3.856 0.000 0.174) 3.860 15.321 ( 1.131 0.000 5.861) 5.969 15.352 ( 10.942 0.000 8.531) 13.875 15.379 ( 2.989 0.000 0.099) 2.990 15.692 ( -0.799 0.000 -3.444) 3.535 15.722 ( 0.726 0.000 2.539) 2.641 15.795 ( 10.022 0.000 1.848) 10.191 15.924 ( -9.057 0.000 -4.312) 10.031 15.990 ( -7.731 0.000 1.970) 7.978 16.659 ( -9.303 0.000 14.858) 17.530 16.771 ( -0.605 0.000 2.379) 2.454 16.817 ( 1.424 0.000 -2.326) 2.727 16.927 ( -1.499 0.000 -8.826) 8.953 17.855 ( -6.169 0.000 3.507) 7.096 17.890 ( -0.790 0.000 -4.827) 4.891 18.074 ( -3.908 0.000 2.629) 4.710 18.099 ( -0.474 0.000 -2.487) 2.531 21.097 ( 2.528 0.000 0.637) 2.607 21.163 ( -0.030 0.000 -1.608) 1.609 21.722 ( 1.333 0.000 14.207) 14.270 21.863 ( 9.670 0.000 -1.654) 9.810 22.068 ( -2.753 0.000 6.087) 6.680 22.186 ( 1.364 0.000 -5.723) 5.883 22.663 ( 0.556 0.000 6.731) 6.754 22.758 ( 1.707 0.000 -4.512) 4.824 22.814 ( 0.630 0.000 8.229) 8.253 22.934 ( 3.216 0.000 0.366) 3.237 23.194 ( -3.033 0.000 -0.855) 3.151 23.320 ( -1.836 0.000 -9.291) 9.471 23.630 ( -3.384 0.000 -8.327) 8.988 23.703 ( -4.506 0.000 -8.553) 9.667 24.051 ( -1.217 0.000 2.673) 2.937 24.057 ( 7.079 0.000 -3.969) 8.115 24.410 ( 6.493 0.000 -2.855) 7.093 24.501 ( -7.902 0.000 0.309) 7.908 24.853 ( -0.955 0.000 4.327) 4.431 24.885 ( 2.072 0.000 1.813) 2.753 25.035 ( -3.559 0.000 4.227) 5.525 25.052 ( 2.896 0.000 -2.233) 3.657 25.635 ( -2.055 0.000 -7.485) 7.762 25.654 ( -17.191 0.000 6.197) 18.274 26.941 ( 2.827 0.000 -0.550) 2.880 26.955 ( 0.155 0.000 0.751) 0.767 27.073 ( -0.913 0.000 2.168) 2.352 27.082 ( 3.503 0.000 -2.154) 4.113 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -13.797 0.000 2.281) 13.984 1.692 ( -15.509 0.000 2.551) 15.718 1.859 ( -19.063 0.000 -2.230) 19.193 1.941 ( 2.994 0.000 7.022) 7.633 1.972 ( -0.161 0.000 -5.659) 5.661 2.134 ( 6.895 0.000 -0.095) 6.896 2.154 ( -5.095 0.000 3.551) 6.211 2.221 ( 0.564 0.000 -1.914) 1.995 2.261 ( 7.418 0.000 4.837) 8.856 2.412 ( 9.259 0.000 -3.946) 10.065 2.475 ( 4.302 0.000 -4.621) 6.314 2.476 ( 4.784 0.000 2.176) 5.256 2.705 ( 1.964 0.000 2.392) 3.094 2.713 ( 0.269 0.000 -4.585) 4.593 2.731 ( -5.774 0.000 -5.190) 7.763 2.813 ( 4.527 0.000 1.932) 4.922 2.829 ( -3.384 0.000 9.666) 10.241 2.906 ( -2.472 0.000 -0.726) 2.576 2.974 ( -1.960 0.000 0.884) 2.150 2.983 ( -7.333 0.000 0.746) 7.371 3.007 ( -12.640 0.000 5.921) 13.958 3.137 ( 0.129 0.000 1.396) 1.402 3.187 ( -6.849 0.000 -8.222) 10.701 3.229 ( 5.585 0.000 -1.646) 5.822 3.243 ( -6.172 0.000 5.735) 8.425 3.358 ( 3.307 0.000 -5.514) 6.429 3.447 ( -3.975 0.000 1.720) 4.331 3.473 ( 0.066 0.000 -4.706) 4.707 3.501 ( -8.282 0.000 4.629) 9.488 3.597 ( -1.182 0.000 3.332) 3.535 3.720 ( -1.774 0.000 6.573) 6.808 3.732 ( -6.529 0.000 -2.397) 6.955 3.804 ( 13.109 0.000 -3.943) 13.689 3.843 ( 3.838 0.000 -8.009) 8.881 3.970 ( 3.075 0.000 7.024) 7.667 3.991 ( -6.113 0.000 -1.860) 6.390 4.067 ( 2.713 0.000 5.186) 5.852 4.079 ( 5.780 0.000 -1.053) 5.875 4.401 ( -3.555 0.000 -1.512) 3.863 4.465 ( 4.195 0.000 1.857) 4.587 4.524 ( 5.344 0.000 4.811) 7.191 4.603 ( 5.849 0.000 -4.295) 7.257 4.772 ( -1.835 0.000 0.012) 1.835 4.818 ( 5.097 0.000 2.066) 5.499 4.871 ( -6.309 0.000 -12.519) 14.019 4.950 ( 9.549 0.000 1.286) 9.635 5.056 ( 0.128 0.000 0.146) 0.194 5.089 ( -0.725 0.000 -2.061) 2.185 5.248 ( -2.801 0.000 4.854) 5.604 5.357 ( 4.401 0.000 0.232) 4.407 5.386 ( -11.239 0.000 -5.672) 12.589 5.482 ( 1.466 0.000 3.010) 3.348 5.779 ( -1.030 0.000 1.017) 1.447 5.821 ( 2.123 0.000 -0.938) 2.321 5.950 ( -2.063 0.000 0.424) 2.107 6.084 ( 10.886 0.000 -2.028) 11.074 6.199 ( -1.973 0.000 -0.260) 1.990 6.263 ( 1.869 0.000 -0.890) 2.070 6.545 ( -7.887 0.000 -0.083) 7.888 6.616 ( 1.614 0.000 2.168) 2.703 6.693 ( 5.276 0.000 -3.067) 6.103 6.721 ( 7.841 0.000 0.182) 7.843 6.973 ( -4.306 0.000 2.207) 4.839 7.021 ( 2.976 0.000 8.310) 8.827 7.059 ( -2.241 0.000 -4.732) 5.236 7.199 ( 7.778 0.000 -6.053) 9.856 7.850 ( -5.268 0.000 -3.078) 6.101 7.983 ( 8.844 0.000 2.913) 9.311 8.352 ( -0.584 0.000 5.064) 5.098 8.382 ( -3.369 0.000 -0.919) 3.492 8.649 ( -3.818 0.000 -0.365) 3.836 8.682 ( -1.832 0.000 -0.874) 2.030 8.767 ( -10.863 0.000 -1.998) 11.045 8.890 ( -7.694 0.000 -0.371) 7.703 8.933 ( 7.462 0.000 3.467) 8.229 9.035 ( 5.022 0.000 -1.332) 5.196 9.209 ( -5.272 0.000 -4.525) 6.948 9.235 ( 3.582 0.000 6.730) 7.624 9.353 ( 0.065 0.000 1.961) 1.962 9.365 ( -5.481 0.000 1.315) 5.636 9.406 ( -0.233 0.000 -3.526) 3.534 9.439 ( 2.430 0.000 1.612) 2.916 9.530 ( 0.498 0.000 3.037) 3.077 9.542 ( 4.298 0.000 2.758) 5.107 9.772 ( 0.262 0.000 -1.920) 1.938 9.789 ( 2.187 0.000 0.088) 2.189 9.819 ( -5.258 0.000 9.337) 10.715 9.877 ( -2.237 0.000 -2.410) 3.288 9.978 ( 8.565 0.000 1.170) 8.645 10.137 ( 6.455 0.000 -13.303) 14.786 10.347 ( -0.332 0.000 14.036) 14.040 10.392 ( -3.142 0.000 0.427) 3.171 10.433 ( -0.060 0.000 2.560) 2.561 10.611 ( 2.799 0.000 -7.620) 8.118 10.657 ( -2.517 0.000 1.366) 2.864 10.710 ( -1.783 0.000 7.797) 7.998 10.729 ( 3.922 0.000 5.038) 6.385 10.810 ( 0.114 0.000 -0.829) 0.836 10.889 ( 2.431 0.000 -5.849) 6.334 10.931 ( 6.291 0.000 -9.766) 11.617 11.301 ( -8.212 0.000 2.999) 8.743 11.369 ( -3.857 0.000 2.406) 4.546 11.447 ( -5.875 0.000 -5.989) 8.390 11.453 ( 3.916 0.000 4.583) 6.028 11.518 ( -1.891 0.000 -1.775) 2.594 11.635 ( 5.193 0.000 -2.980) 5.988 11.680 ( -4.993 0.000 -1.205) 5.136 11.686 ( 2.762 0.000 0.117) 2.764 11.867 ( -0.342 0.000 4.689) 4.701 11.953 ( 8.723 0.000 -5.649) 10.392 12.003 ( 3.098 0.000 -2.136) 3.763 12.043 ( 1.766 0.000 -6.626) 6.857 12.501 ( -1.502 0.000 -1.052) 1.834 12.515 ( -0.633 0.000 -0.577) 0.857 12.730 ( -10.515 0.000 8.623) 13.599 12.884 ( -1.188 0.000 4.583) 4.735 12.902 ( -5.253 0.000 7.458) 9.123 12.943 ( -10.427 0.000 -1.725) 10.569 12.992 ( -7.414 0.000 4.160) 8.501 13.146 ( 1.602 0.000 0.904) 1.839 13.190 ( -3.061 0.000 -4.642) 5.560 13.215 ( -11.902 0.000 1.848) 12.045 13.362 ( -2.676 0.000 7.269) 7.746 13.436 ( -0.027 0.000 -4.435) 4.435 13.494 ( 10.874 0.000 -1.337) 10.956 13.507 ( 1.729 0.000 -7.328) 7.529 13.520 ( 2.185 0.000 -0.036) 2.186 13.603 ( 7.688 0.000 -8.017) 11.108 13.691 ( -11.923 0.000 0.636) 11.940 13.968 ( 8.396 0.000 -7.378) 11.177 14.138 ( -3.967 0.000 -7.197) 8.218 14.192 ( 7.693 0.000 4.681) 9.005 14.531 ( -8.885 0.000 3.637) 9.601 14.792 ( 6.851 0.000 -9.371) 11.608 14.874 ( 0.531 0.000 0.124) 0.546 14.932 ( 5.537 0.000 -2.383) 6.028 15.323 ( -3.821 0.000 5.374) 6.594 15.378 ( -2.586 0.000 -1.066) 2.798 15.566 ( -8.637 0.000 -11.146) 14.100 15.576 ( 3.652 0.000 7.681) 8.505 15.763 ( -1.094 0.000 -1.261) 1.669 15.816 ( -8.351 0.000 1.374) 8.463 15.844 ( 8.713 0.000 2.113) 8.966 16.011 ( 7.669 0.000 -0.412) 7.680 16.657 ( -1.628 0.000 18.359) 18.431 16.772 ( -0.829 0.000 3.146) 3.253 16.820 ( 0.576 0.000 -2.504) 2.570 16.898 ( 4.303 0.000 -9.303) 10.250 17.810 ( 0.160 0.000 3.135) 3.139 17.926 ( 6.809 0.000 -3.705) 7.751 18.052 ( 0.288 0.000 2.404) 2.422 18.120 ( 3.820 0.000 -2.216) 4.417 21.123 ( -2.588 0.000 -2.003) 3.272 21.137 ( 0.539 0.000 1.147) 1.267 21.765 ( -4.564 0.000 8.472) 9.623 21.982 ( 4.787 0.000 -10.012) 11.097 22.064 ( -1.600 0.000 6.602) 6.793 22.181 ( 2.073 0.000 -5.430) 5.812 22.693 ( -1.619 0.000 2.715) 3.161 22.748 ( 0.036 0.000 -3.679) 3.679 22.863 ( -1.086 0.000 8.101) 8.173 22.975 ( 1.134 0.000 -6.058) 6.163 23.158 ( -0.749 0.000 6.002) 6.049 23.239 ( -0.429 0.000 -6.481) 6.496 23.557 ( -0.286 0.000 2.762) 2.777 23.600 ( -0.684 0.000 -3.942) 4.001 23.993 ( -5.883 0.000 2.578) 6.423 24.132 ( 1.663 0.000 -5.659) 5.899 24.358 ( -7.747 0.000 2.704) 8.206 24.513 ( 5.451 0.000 -0.810) 5.511 24.812 ( -4.926 0.000 7.543) 9.010 24.881 ( -1.533 0.000 0.848) 1.752 25.078 ( -0.733 0.000 -2.860) 2.953 25.118 ( 7.789 0.000 -3.794) 8.664 25.482 ( 0.572 0.000 8.024) 8.045 25.750 ( 14.259 0.000 -3.970) 14.801 26.933 ( -2.630 0.000 0.305) 2.648 26.970 ( 0.337 0.000 -0.710) 0.786 27.042 ( -3.595 0.000 1.993) 4.111 27.114 ( 1.147 0.000 -2.007) 2.312 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -24.003 0.000 5.556) 24.638 1.341 ( -22.271 0.000 12.679) 25.627 1.537 ( -6.176 0.000 -10.630) 12.294 1.928 ( -0.679 0.000 -6.876) 6.910 1.983 ( -3.337 0.000 3.706) 4.986 2.143 ( 1.746 0.000 0.766) 1.906 2.160 ( -3.537 0.000 -3.849) 5.228 2.219 ( -4.292 0.000 3.256) 5.387 2.363 ( -11.832 0.000 -5.458) 13.030 2.414 ( 5.864 0.000 3.346) 6.752 2.449 ( -14.378 0.000 9.647) 17.314 2.499 ( -4.475 0.000 6.040) 7.517 2.499 ( -7.687 0.000 -2.162) 7.986 2.681 ( -6.124 0.000 0.663) 6.160 2.726 ( 1.512 0.000 -4.587) 4.830 2.789 ( -4.720 0.000 -3.206) 5.706 2.793 ( 3.631 0.000 1.664) 3.995 2.868 ( -2.222 0.000 6.185) 6.572 2.893 ( -5.697 0.000 -1.798) 5.974 2.928 ( 7.202 0.000 -2.708) 7.694 3.011 ( 4.172 0.000 0.698) 4.230 3.055 ( -3.110 0.000 -3.432) 4.632 3.080 ( -2.034 0.000 3.509) 4.056 3.171 ( -6.478 0.000 3.030) 7.151 3.313 ( 0.183 0.000 -2.969) 2.975 3.318 ( -4.400 0.000 8.919) 9.945 3.368 ( 3.555 0.000 -1.279) 3.778 3.402 ( -9.583 0.000 -2.670) 9.948 3.522 ( 0.643 0.000 1.835) 1.945 3.560 ( -0.232 0.000 -5.960) 5.965 3.595 ( 1.094 0.000 2.615) 2.835 3.750 ( -3.658 0.000 -5.317) 6.454 3.828 ( 3.992 0.000 7.361) 8.374 3.929 ( 0.711 0.000 -2.951) 3.036 4.014 ( -1.856 0.000 2.174) 2.858 4.027 ( 9.606 0.000 -4.464) 10.593 4.213 ( 3.631 0.000 -0.814) 3.721 4.219 ( 5.786 0.000 4.502) 7.331 4.312 ( -3.597 0.000 -3.114) 4.758 4.558 ( 2.982 0.000 -1.710) 3.437 4.603 ( -0.460 0.000 -0.067) 0.465 4.644 ( 1.610 0.000 -7.203) 7.381 4.704 ( -1.702 0.000 -3.509) 3.900 4.847 ( 5.538 0.000 0.905) 5.612 4.937 ( 4.637 0.000 -2.206) 5.135 4.993 ( 0.392 0.000 -7.693) 7.703 5.044 ( 1.019 0.000 -0.730) 1.254 5.110 ( 5.924 0.000 -2.356) 6.375 5.178 ( -4.882 0.000 -1.558) 5.125 5.278 ( -0.537 0.000 3.755) 3.794 5.419 ( 1.148 0.000 1.939) 2.254 5.512 ( -0.885 0.000 4.276) 4.367 5.805 ( 1.390 0.000 3.589) 3.849 5.880 ( 2.491 0.000 3.568) 4.352 5.911 ( -1.665 0.000 2.551) 3.046 6.193 ( -8.882 0.000 -1.947) 9.093 6.220 ( 2.974 0.000 3.158) 4.338 6.275 ( 3.902 0.000 -2.049) 4.408 6.457 ( 4.819 0.000 -1.160) 4.957 6.603 ( -0.856 0.000 -4.663) 4.741 6.813 ( 10.588 0.000 -3.796) 11.247 6.832 ( -0.157 0.000 -1.471) 1.480 7.001 ( 6.488 0.000 3.218) 7.242 7.022 ( 4.279 0.000 3.195) 5.340 7.245 ( 12.025 0.000 3.368) 12.487 7.434 ( 16.014 0.000 -1.357) 16.071 7.857 ( 8.690 0.000 -0.409) 8.699 8.064 ( -2.915 0.000 -1.059) 3.101 8.276 ( -8.174 0.000 3.628) 8.943 8.325 ( -9.272 0.000 5.764) 10.918 8.488 ( -11.727 0.000 -1.709) 11.851 8.595 ( -9.787 0.000 -2.796) 10.179 8.603 ( -0.468 0.000 2.115) 2.166 8.746 ( -2.119 0.000 -3.792) 4.344 8.959 ( -6.637 0.000 -0.834) 6.689 9.060 ( -6.396 0.000 -3.939) 7.512 9.116 ( 4.322 0.000 1.709) 4.648 9.243 ( -3.132 0.000 -0.122) 3.135 9.282 ( -2.010 0.000 5.213) 5.587 9.364 ( -1.478 0.000 -5.360) 5.561 9.388 ( 3.719 0.000 -3.470) 5.086 9.501 ( 0.535 0.000 4.311) 4.344 9.580 ( 2.489 0.000 -1.381) 2.846 9.665 ( 4.648 0.000 -2.396) 5.230 9.730 ( 1.315 0.000 -1.687) 2.139 9.860 ( 3.649 0.000 4.184) 5.551 9.873 ( 1.439 0.000 11.914) 12.001 9.895 ( 5.812 0.000 1.400) 5.978 10.165 ( 2.612 0.000 -6.502) 7.007 10.233 ( 13.799 0.000 0.568) 13.811 10.332 ( -1.367 0.000 1.324) 1.903 10.382 ( -1.056 0.000 8.546) 8.611 10.556 ( 7.522 0.000 2.226) 7.844 10.611 ( -0.376 0.000 -6.442) 6.453 10.623 ( -3.047 0.000 -0.877) 3.171 10.634 ( -4.051 0.000 -7.668) 8.672 10.747 ( 2.117 0.000 2.739) 3.462 10.874 ( 1.395 0.000 -4.688) 4.891 10.938 ( 0.683 0.000 4.760) 4.808 11.003 ( 0.930 0.000 -0.457) 1.036 11.207 ( -2.679 0.000 8.494) 8.907 11.230 ( -1.833 0.000 -3.996) 4.396 11.390 ( 0.553 0.000 -6.300) 6.324 11.461 ( -2.979 0.000 -0.047) 2.979 11.577 ( 6.902 0.000 -3.052) 7.547 11.631 ( 1.023 0.000 5.119) 5.220 11.663 ( -0.630 0.000 0.547) 0.834 11.791 ( 5.954 0.000 1.152) 6.064 11.849 ( -3.347 0.000 1.624) 3.720 11.980 ( -3.455 0.000 -4.052) 5.325 12.085 ( 3.857 0.000 1.254) 4.056 12.118 ( 9.586 0.000 -8.888) 13.073 12.448 ( -14.325 0.000 -2.074) 14.475 12.459 ( -3.866 0.000 -1.953) 4.332 12.506 ( -1.290 0.000 1.657) 2.100 12.697 ( -11.307 0.000 0.845) 11.339 12.713 ( -14.179 0.000 7.164) 15.886 12.752 ( -10.849 0.000 2.488) 11.130 12.888 ( -16.810 0.000 -0.038) 16.810 12.970 ( -5.037 0.000 11.323) 12.393 13.049 ( -6.542 0.000 -5.897) 8.807 13.249 ( -11.579 0.000 4.517) 12.429 13.260 ( 5.465 0.000 -4.646) 7.173 13.392 ( -11.858 0.000 2.992) 12.230 13.399 ( -0.092 0.000 -4.889) 4.890 13.455 ( 0.138 0.000 -9.955) 9.956 13.572 ( -2.101 0.000 0.919) 2.293 13.688 ( 1.791 0.000 -0.766) 1.948 13.704 ( 4.337 0.000 -5.564) 7.054 13.986 ( -4.278 0.000 -8.489) 9.506 14.147 ( 12.236 0.000 -3.138) 12.632 14.342 ( 6.943 0.000 0.491) 6.961 14.434 ( -3.210 0.000 5.013) 5.953 14.852 ( 1.882 0.000 -3.262) 3.766 14.913 ( 2.141 0.000 1.149) 2.429 15.054 ( 7.208 0.000 -3.921) 8.206 15.245 ( -6.565 0.000 4.208) 7.798 15.251 ( -13.204 0.000 -14.384) 19.525 15.294 ( -4.553 0.000 -0.437) 4.574 15.521 ( -11.824 0.000 1.457) 11.913 15.735 ( 2.782 0.000 0.648) 2.856 15.746 ( -0.344 0.000 -0.669) 0.752 16.104 ( 11.448 0.000 3.914) 12.098 16.144 ( 6.069 0.000 0.875) 6.131 16.737 ( -1.106 0.000 5.134) 5.251 16.815 ( 0.522 0.000 -2.740) 2.789 16.876 ( 8.331 0.000 14.439) 16.670 16.966 ( 7.318 0.000 -6.363) 9.697 17.898 ( 5.446 0.000 4.397) 6.999 18.078 ( 9.579 0.000 -4.523) 10.593 18.112 ( 3.759 0.000 2.609) 4.576 18.209 ( 5.991 0.000 -1.988) 6.312 21.050 ( -3.044 0.000 -1.324) 3.320 21.132 ( -1.447 0.000 0.809) 1.658 21.660 ( -8.079 0.000 1.035) 8.145 21.888 ( -5.031 0.000 -21.776) 22.350 22.074 ( -1.626 0.000 6.602) 6.799 22.202 ( 3.139 0.000 -5.133) 6.017 22.631 ( -5.508 0.000 3.716) 6.644 22.717 ( -0.384 0.000 -4.109) 4.127 22.852 ( -3.626 0.000 2.510) 4.410 22.896 ( -2.882 0.000 -9.071) 9.518 23.237 ( 1.741 0.000 0.465) 1.802 23.244 ( 2.755 0.000 9.676) 10.061 23.617 ( 1.805 0.000 3.116) 3.602 23.695 ( 6.584 0.000 9.844) 11.843 23.920 ( 0.381 0.000 6.112) 6.124 24.076 ( -2.288 0.000 -3.539) 4.214 24.205 ( -8.542 0.000 2.684) 8.953 24.619 ( 4.818 0.000 1.903) 5.181 24.795 ( -1.868 0.000 6.040) 6.322 24.905 ( 3.625 0.000 -2.034) 4.156 24.929 ( -7.889 0.000 1.218) 7.982 25.311 ( 12.705 0.000 -3.907) 13.292 25.740 ( 15.168 0.000 6.723) 16.591 26.052 ( 15.980 0.000 -1.613) 16.062 26.862 ( -4.242 0.000 0.213) 4.247 26.945 ( -2.134 0.000 -1.371) 2.537 26.954 ( -6.006 0.000 1.877) 6.292 27.106 ( -0.517 0.000 -2.725) 2.774 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -7.999 0.000 20.599) 22.097 1.058 ( -13.815 0.000 20.988) 25.127 1.428 ( 1.881 0.000 -13.863) 13.990 1.678 ( -22.899 0.000 5.145) 23.470 1.888 ( -5.917 0.000 -1.927) 6.223 1.950 ( -9.986 0.000 -13.200) 16.552 2.075 ( -1.575 0.000 10.543) 10.660 2.173 ( 0.140 0.000 2.228) 2.232 2.265 ( -2.365 0.000 3.585) 4.295 2.317 ( 0.840 0.000 0.812) 1.168 2.422 ( -5.066 0.000 3.097) 5.938 2.484 ( -1.168 0.000 4.760) 4.901 2.488 ( -3.570 0.000 -0.490) 3.604 2.552 ( -4.280 0.000 3.653) 5.627 2.652 ( -2.469 0.000 -3.029) 3.908 2.696 ( -2.061 0.000 -0.304) 2.083 2.753 ( -6.839 0.000 0.007) 6.839 2.833 ( 0.052 0.000 -1.400) 1.401 2.842 ( -0.519 0.000 0.593) 0.789 2.939 ( -5.088 0.000 -2.761) 5.789 2.991 ( -5.914 0.000 2.022) 6.250 3.109 ( 12.405 0.000 -8.198) 14.869 3.130 ( -0.129 0.000 2.714) 2.717 3.187 ( 6.200 0.000 -0.955) 6.273 3.191 ( -4.210 0.000 -1.958) 4.643 3.328 ( 1.393 0.000 -1.831) 2.301 3.363 ( 0.762 0.000 11.435) 11.460 3.390 ( -6.770 0.000 -9.124) 11.362 3.491 ( 3.631 0.000 0.390) 3.652 3.546 ( 0.511 0.000 2.313) 2.369 3.651 ( 1.412 0.000 1.601) 2.134 3.740 ( 2.634 0.000 -5.285) 5.905 3.898 ( -3.773 0.000 4.372) 5.775 3.941 ( -4.155 0.000 4.278) 5.964 3.945 ( 1.779 0.000 -1.680) 2.447 4.116 ( 1.679 0.000 -6.554) 6.766 4.161 ( -9.258 0.000 -1.120) 9.326 4.209 ( -4.186 0.000 1.003) 4.305 4.233 ( 1.692 0.000 -1.657) 2.368 4.468 ( -1.860 0.000 -14.487) 14.606 4.671 ( -2.808 0.000 1.473) 3.171 4.682 ( 7.185 0.000 2.252) 7.529 4.730 ( 6.235 0.000 -1.246) 6.359 4.897 ( -3.359 0.000 -5.648) 6.571 4.945 ( 3.791 0.000 4.341) 5.763 5.010 ( 3.884 0.000 -5.762) 6.949 5.124 ( 4.009 0.000 -1.887) 4.430 5.154 ( 2.589 0.000 2.242) 3.425 5.191 ( 3.308 0.000 -3.192) 4.597 5.291 ( -0.216 0.000 2.722) 2.730 5.436 ( -4.535 0.000 2.649) 5.252 5.445 ( -4.654 0.000 -2.518) 5.292 5.872 ( 3.451 0.000 2.256) 4.123 5.920 ( -2.876 0.000 4.099) 5.008 5.962 ( 3.176 0.000 6.529) 7.260 6.054 ( 1.847 0.000 5.669) 5.963 6.291 ( -0.029 0.000 4.892) 4.892 6.341 ( 4.594 0.000 -2.923) 5.445 6.577 ( 2.443 0.000 -1.095) 2.677 6.626 ( 10.722 0.000 -7.235) 12.935 6.810 ( 1.121 0.000 -3.450) 3.628 7.053 ( 9.581 0.000 -0.687) 9.606 7.189 ( 7.768 0.000 5.041) 9.260 7.196 ( 12.247 0.000 -0.856) 12.277 7.482 ( 9.652 0.000 -0.444) 9.662 7.686 ( 8.474 0.000 -0.382) 8.482 7.905 ( -9.909 0.000 -0.288) 9.914 8.036 ( -18.059 0.000 -1.775) 18.146 8.085 ( -17.231 0.000 -5.815) 18.186 8.101 ( -11.236 0.000 2.633) 11.540 8.236 ( 21.242 0.000 3.249) 21.489 8.507 ( -0.237 0.000 0.362) 0.433 8.597 ( -1.987 0.000 0.909) 2.185 8.779 ( 3.506 0.000 2.580) 4.353 8.813 ( -6.540 0.000 -1.125) 6.637 8.934 ( -0.237 0.000 -1.028) 1.055 9.122 ( -5.743 0.000 5.186) 7.738 9.272 ( 2.207 0.000 3.991) 4.561 9.279 ( -2.431 0.000 2.636) 3.586 9.306 ( 1.093 0.000 -4.970) 5.089 9.400 ( 0.424 0.000 -2.232) 2.272 9.495 ( -0.868 0.000 -8.124) 8.171 9.583 ( -0.618 0.000 4.693) 4.734 9.716 ( 2.655 0.000 -3.142) 4.113 9.842 ( 4.915 0.000 -1.436) 5.121 9.874 ( -1.005 0.000 -7.426) 7.493 9.982 ( 4.024 0.000 8.129) 9.070 10.118 ( 8.663 0.000 5.288) 10.149 10.167 ( -0.622 0.000 2.477) 2.554 10.282 ( -7.242 0.000 0.579) 7.265 10.395 ( -3.799 0.000 2.524) 4.561 10.452 ( 4.223 0.000 0.633) 4.271 10.482 ( 2.208 0.000 4.433) 4.953 10.517 ( -1.498 0.000 0.090) 1.501 10.703 ( -3.153 0.000 6.900) 7.586 10.740 ( 13.744 0.000 -7.438) 15.628 10.834 ( 0.217 0.000 -2.809) 2.818 10.837 ( 7.013 0.000 -0.706) 7.049 10.920 ( 4.628 0.000 -6.928) 8.332 11.014 ( -0.893 0.000 1.797) 2.006 11.245 ( 3.742 0.000 -1.480) 4.024 11.297 ( 4.861 0.000 8.003) 9.364 11.379 ( 2.058 0.000 -6.088) 6.426 11.431 ( -1.356 0.000 1.351) 1.914 11.541 ( -3.941 0.000 -7.452) 8.430 11.669 ( -4.403 0.000 -1.437) 4.631 11.740 ( 3.912 0.000 3.880) 5.510 11.781 ( -3.193 0.000 4.679) 5.665 11.893 ( -0.506 0.000 -4.455) 4.484 11.905 ( -2.053 0.000 -0.078) 2.055 12.102 ( -3.750 0.000 -1.402) 4.004 12.128 ( -2.339 0.000 -10.515) 10.772 12.180 ( -4.451 0.000 4.317) 6.201 12.394 ( -1.750 0.000 1.136) 2.086 12.453 ( -5.077 0.000 6.290) 8.083 12.517 ( -7.827 0.000 -1.246) 7.926 12.528 ( -11.478 0.000 4.563) 12.352 12.570 ( -3.979 0.000 -1.578) 4.281 12.655 ( -3.837 0.000 3.661) 5.303 12.899 ( -6.409 0.000 5.499) 8.445 12.905 ( -4.773 0.000 -3.071) 5.675 13.094 ( -6.648 0.000 11.322) 13.129 13.165 ( -14.624 0.000 -12.424) 19.189 13.190 ( -8.363 0.000 -1.162) 8.443 13.322 ( -5.138 0.000 -7.120) 8.781 13.368 ( -4.758 0.000 -4.904) 6.833 13.467 ( -5.750 0.000 -1.824) 6.033 13.566 ( -6.961 0.000 -12.922) 14.678 13.681 ( -1.820 0.000 3.241) 3.717 13.853 ( 0.574 0.000 -4.991) 5.024 14.414 ( 5.114 0.000 5.676) 7.640 14.496 ( 7.367 0.000 -0.683) 7.398 14.529 ( 15.044 0.000 -0.037) 15.044 14.736 ( -6.378 0.000 -4.034) 7.546 14.935 ( -2.097 0.000 1.738) 2.723 15.018 ( -3.749 0.000 0.121) 3.751 15.128 ( -0.803 0.000 -3.148) 3.249 15.133 ( -5.338 0.000 1.322) 5.500 15.219 ( 0.011 0.000 -2.969) 2.969 15.293 ( -9.997 0.000 0.713) 10.023 15.752 ( 0.679 0.000 1.551) 1.693 15.801 ( 2.425 0.000 0.142) 2.429 16.267 ( 4.411 0.000 2.805) 5.227 16.305 ( 6.027 0.000 1.857) 6.307 16.736 ( -1.239 0.000 3.383) 3.603 16.805 ( 0.437 0.000 -3.073) 3.104 17.100 ( 7.567 0.000 -0.755) 7.605 17.177 ( 12.053 0.000 4.423) 12.839 18.039 ( 4.334 0.000 4.776) 6.449 18.204 ( 5.714 0.000 -6.138) 8.386 18.219 ( 4.112 0.000 3.823) 5.614 18.319 ( 5.417 0.000 -2.001) 5.775 21.005 ( -0.773 0.000 0.195) 0.798 21.095 ( -2.272 0.000 -0.185) 2.280 21.492 ( -6.977 0.000 -3.287) 7.712 21.540 ( -13.949 0.000 -14.455) 20.088 22.088 ( -1.244 0.000 6.519) 6.637 22.228 ( 2.562 0.000 -5.687) 6.238 22.559 ( -4.635 0.000 7.046) 8.434 22.692 ( 0.638 0.000 -3.506) 3.564 22.770 ( -5.164 0.000 1.241) 5.311 22.777 ( -2.424 0.000 -8.568) 8.905 23.290 ( 2.127 0.000 2.719) 3.452 23.346 ( 1.298 0.000 6.589) 6.715 23.680 ( 1.016 0.000 5.546) 5.638 23.736 ( -1.320 0.000 0.934) 1.617 24.047 ( -0.650 0.000 1.105) 1.282 24.100 ( -1.831 0.000 5.030) 5.353 24.162 ( 11.439 0.000 -3.100) 11.852 24.641 ( -7.747 0.000 -6.503) 10.115 24.762 ( 3.658 0.000 3.571) 5.112 24.955 ( 2.704 0.000 -4.460) 5.216 25.084 ( 16.808 0.000 18.355) 24.889 25.525 ( 9.556 0.000 -4.130) 10.411 26.088 ( 14.466 0.000 7.049) 16.092 26.323 ( 9.527 0.000 1.393) 9.628 26.782 ( -3.280 0.000 0.300) 3.294 26.837 ( -5.075 0.000 0.470) 5.097 26.885 ( -2.523 0.000 -1.999) 3.219 27.042 ( -4.588 0.000 -3.929) 6.041 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -8.710 8.769 18.280) 22.066 1.222 ( 7.289 8.934 18.539) 21.832 1.450 ( 8.993 4.054 -14.875) 17.849 1.530 ( -4.935 2.092 -12.505) 13.606 1.872 ( 1.069 12.176 3.762) 12.788 1.927 ( -3.216 5.390 -4.046) 7.468 2.138 ( 0.577 0.339 5.636) 5.676 2.182 ( 0.177 -0.915 -0.119) 0.939 2.239 ( 4.526 1.238 5.736) 7.411 2.322 ( -1.845 -0.167 -0.786) 2.013 2.359 ( 0.860 0.344 -0.021) 0.926 2.388 ( -0.703 -1.069 -1.064) 1.664 2.535 ( -0.275 0.030 3.858) 3.867 2.592 ( 0.310 -0.037 -0.269) 0.412 2.617 ( 0.399 1.851 12.460) 12.603 2.633 ( -0.085 1.597 0.879) 1.825 2.697 ( -1.438 2.650 2.815) 4.125 2.868 ( 1.718 3.043 -1.323) 3.737 2.874 ( -2.232 2.422 -0.727) 3.373 2.890 ( 0.719 3.667 -1.202) 3.925 2.935 ( -1.590 0.863 0.964) 2.050 3.072 ( -0.001 -2.041 -6.943) 7.237 3.187 ( -1.219 2.599 1.124) 3.083 3.215 ( -1.458 0.856 -2.715) 3.198 3.238 ( 1.560 -1.122 -0.169) 1.929 3.291 ( -0.682 0.820 -4.369) 4.498 3.416 ( 5.729 2.900 0.296) 6.427 3.449 ( -2.600 3.550 -1.814) 4.760 3.466 ( 1.619 -3.181 6.533) 7.444 3.527 ( 3.200 -4.568 0.123) 5.578 3.559 ( -5.596 -5.043 -0.494) 7.549 3.657 ( 0.497 -6.106 -6.689) 9.070 3.808 ( -0.463 -2.354 3.545) 4.280 3.890 ( -2.396 -3.613 -4.225) 6.054 3.980 ( 1.005 2.848 4.003) 5.015 4.062 ( 0.174 -1.943 -1.218) 2.299 4.126 ( -4.713 0.161 4.190) 6.308 4.196 ( 7.284 -1.110 -1.986) 7.631 4.303 ( -4.394 2.579 0.367) 5.108 4.379 ( 3.869 1.144 -6.009) 7.238 4.576 ( -1.765 -5.418 2.464) 6.208 4.649 ( -1.214 -6.246 -3.280) 7.159 4.805 ( 1.458 0.070 0.796) 1.662 4.838 ( -0.641 0.914 -2.525) 2.760 5.026 ( 7.435 -2.039 2.585) 8.132 5.059 ( -3.025 1.933 0.078) 3.590 5.102 ( -1.498 -1.329 -0.786) 2.152 5.174 ( -3.576 -0.103 -4.392) 5.665 5.297 ( -2.946 -0.225 1.402) 3.271 5.322 ( 5.337 -1.175 -0.227) 5.469 5.370 ( 2.382 5.982 0.236) 6.443 5.421 ( -1.042 6.812 -3.883) 7.910 5.859 ( -3.723 -5.551 3.079) 7.359 5.871 ( 2.679 -5.603 2.016) 6.530 6.013 ( 3.981 -4.039 3.279) 6.551 6.031 ( -1.956 -4.421 1.245) 4.992 6.409 ( 0.297 4.888 4.252) 6.485 6.465 ( -0.298 4.990 -2.375) 5.535 6.608 ( -2.939 -2.672 -0.315) 3.984 6.631 ( 3.478 -7.500 -2.055) 8.519 6.923 ( 7.931 4.531 0.619) 9.155 7.005 ( -8.381 3.086 -6.796) 11.223 7.282 ( 2.595 -3.795 1.818) 4.944 7.326 ( -5.203 -5.224 -3.585) 8.199 7.607 ( 6.607 -0.995 1.163) 6.782 7.632 ( -6.933 0.658 -1.320) 7.088 7.830 ( -3.406 2.528 3.496) 5.497 7.864 ( -1.788 3.621 0.253) 4.046 7.994 ( 9.409 10.046 7.170) 15.520 8.182 ( -8.693 18.467 -12.448) 23.907 8.465 ( -11.736 -2.746 2.026) 12.222 8.482 ( 3.855 0.330 1.275) 4.074 8.719 ( 13.944 -1.071 5.460) 15.013 8.753 ( -2.183 2.512 -0.229) 3.336 8.837 ( 1.891 1.739 5.688) 6.241 8.924 ( -11.568 0.497 -1.124) 11.633 9.062 ( 0.703 -4.340 4.986) 6.648 9.185 ( 1.153 -4.790 -8.597) 9.909 9.262 ( -2.002 -0.657 3.368) 3.972 9.338 ( 10.310 -2.830 -3.774) 11.338 9.385 ( -0.432 1.081 -1.156) 1.641 9.427 ( -4.722 -3.478 -3.793) 6.984 9.639 ( -2.277 1.187 3.756) 4.550 9.718 ( 0.114 2.832 -2.433) 3.736 9.850 ( -2.063 3.986 1.607) 4.767 9.879 ( 4.370 5.891 -0.025) 7.335 10.046 ( -5.924 3.944 3.718) 8.030 10.132 ( 4.126 0.126 -3.097) 5.160 10.185 ( 5.280 -5.519 3.022) 8.213 10.284 ( 2.780 -4.152 -3.060) 5.859 10.321 ( -3.136 0.021 0.219) 3.144 10.336 ( 0.655 -3.116 -0.183) 3.190 10.558 ( -2.951 2.484 4.549) 5.965 10.641 ( 3.551 4.048 -0.248) 5.390 10.739 ( -0.914 -1.254 5.150) 5.378 10.791 ( 0.850 -5.171 -2.242) 5.700 10.931 ( 2.136 0.716 4.477) 5.012 11.002 ( -2.321 4.856 0.197) 5.386 11.042 ( -2.707 2.330 -3.635) 5.096 11.067 ( 1.350 10.637 -4.323) 11.561 11.182 ( -10.942 -8.965 7.039) 15.800 11.342 ( 3.690 -0.453 -6.361) 7.368 11.421 ( 4.247 1.545 -0.251) 4.526 11.449 ( 1.068 1.038 -6.454) 6.624 11.522 ( -4.910 -5.315 7.505) 10.425 11.539 ( 10.612 -0.484 0.934) 10.664 11.607 ( -13.627 -0.831 -2.220) 13.832 11.683 ( 3.736 -2.368 -4.234) 6.123 11.836 ( 1.715 -5.630 1.875) 6.177 11.900 ( 0.538 -7.122 -4.207) 8.289 12.011 ( 0.722 -0.964 2.750) 3.002 12.060 ( -0.111 0.374 -1.246) 1.306 12.149 ( 8.120 -2.539 5.322) 10.035 12.252 ( -8.050 -0.698 -3.932) 8.986 12.386 ( 7.676 -0.991 1.256) 7.840 12.407 ( -4.848 -0.466 -0.774) 4.932 12.498 ( -0.116 -4.701 3.005) 5.581 12.524 ( -0.602 -2.132 -0.072) 2.216 12.638 ( 6.073 1.611 -0.932) 6.351 12.652 ( -0.512 2.922 0.061) 2.967 12.855 ( -5.070 -3.860 4.028) 7.539 12.933 ( 0.278 -0.344 -3.221) 3.251 13.098 ( 1.147 -0.963 2.235) 2.690 13.139 ( -2.375 3.367 -2.010) 4.584 13.244 ( 0.459 -1.510 -0.586) 1.683 13.292 ( 0.619 -3.820 -3.249) 5.053 13.492 ( -1.952 10.374 2.100) 10.763 13.577 ( -0.437 -1.664 2.083) 2.701 13.613 ( 1.582 11.197 -6.238) 12.914 13.727 ( 0.453 -7.445 -7.473) 10.558 14.540 ( -2.335 -2.104 2.990) 4.338 14.582 ( 3.540 -0.251 1.136) 3.727 14.634 ( 3.450 -7.904 -0.711) 8.653 14.682 ( 0.859 -4.511 -3.243) 5.622 14.868 ( 3.635 -0.307 4.712) 5.959 14.932 ( -0.576 -1.010 -1.015) 1.544 15.076 ( 0.047 1.446 1.715) 2.243 15.108 ( -5.894 2.821 -1.673) 6.745 15.191 ( 0.487 0.432 -0.381) 0.754 15.258 ( -0.314 2.584 -6.001) 6.541 15.906 ( 1.287 11.023 4.394) 11.936 15.971 ( -1.352 12.589 -2.158) 12.844 16.327 ( 0.002 0.565 6.008) 6.034 16.400 ( -0.977 1.924 -1.786) 2.802 16.705 ( -1.196 -2.389 5.737) 6.328 16.810 ( 0.958 1.106 -4.892) 5.106 17.128 ( -0.907 -10.269 5.048) 11.478 17.181 ( 0.583 -6.990 -0.491) 7.032 18.097 ( -0.462 -0.150 5.665) 5.686 18.192 ( 0.318 -2.490 -2.633) 3.638 18.335 ( -0.030 3.280 0.443) 3.310 18.392 ( 0.152 1.704 -3.983) 4.334 21.043 ( 1.843 2.002 1.392) 3.057 21.079 ( -1.145 2.651 -2.355) 3.726 21.284 ( -0.666 -3.089 1.844) 3.658 21.337 ( -2.273 -3.224 -3.613) 5.349 22.146 ( -1.966 4.172 6.440) 7.921 22.265 ( 2.047 3.439 -5.449) 6.761 22.520 ( -1.942 -2.613 7.141) 7.848 22.616 ( 0.158 -3.807 -1.987) 4.297 22.820 ( 0.909 9.734 -3.993) 10.560 22.824 ( -1.117 7.271 -3.686) 8.228 23.373 ( 1.961 2.800 5.033) 6.084 23.425 ( -1.341 4.452 0.112) 4.651 23.690 ( 2.802 -1.875 4.360) 5.512 23.746 ( -2.092 0.724 -1.326) 2.581 24.034 ( -0.078 -2.018 4.645) 5.065 24.108 ( 4.272 -7.635 1.776) 8.927 24.275 ( 3.727 1.517 -3.023) 5.033 24.388 ( -6.880 -2.746 -9.547) 12.084 24.802 ( 0.958 -3.384 3.381) 4.878 24.872 ( -1.155 -6.100 -3.560) 7.157 25.337 ( 4.587 -8.339 6.709) 11.644 25.452 ( -2.778 -8.571 -5.580) 10.598 26.448 ( -1.248 7.228 5.285) 9.041 26.534 ( 5.570 6.058 -3.936) 9.122 26.762 ( 0.966 0.106 0.728) 1.214 26.774 ( -1.206 -0.213 -0.504) 1.324 26.867 ( -1.827 1.372 2.731) 3.560 26.935 ( -1.264 3.225 -4.677) 5.820 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 5.857 9.028 11.738) 15.925 1.367 ( 1.252 6.020 -10.327) 12.019 1.540 ( 10.160 2.608 3.978) 11.219 1.630 ( 15.223 6.929 -9.367) 19.170 1.877 ( 0.853 5.451 0.898) 5.590 1.958 ( 4.671 5.568 2.027) 7.545 2.169 ( 1.144 -1.796 -0.420) 2.170 2.224 ( 1.049 -4.312 1.055) 4.562 2.286 ( 3.458 5.345 -3.506) 7.268 2.336 ( -0.427 -0.502 -0.113) 0.668 2.413 ( 6.021 1.651 3.055) 6.951 2.437 ( 2.369 -5.696 -2.501) 6.657 2.556 ( -0.087 -0.224 -0.092) 0.258 2.596 ( 3.382 -0.499 3.381) 4.808 2.667 ( 3.733 0.905 -1.291) 4.053 2.697 ( 5.451 1.941 0.617) 5.819 2.788 ( -0.074 7.124 10.326) 12.545 2.847 ( -0.419 0.996 -0.739) 1.309 2.884 ( -1.130 2.152 2.711) 3.641 2.923 ( -1.913 0.777 1.497) 2.550 2.971 ( 6.857 4.950 -2.074) 8.708 3.091 ( 2.279 -1.020 -0.508) 2.548 3.098 ( -0.293 0.162 -0.446) 0.558 3.152 ( -2.458 -0.824 0.794) 2.711 3.201 ( -1.500 0.387 -4.499) 4.758 3.321 ( 1.698 1.529 -0.879) 2.448 3.362 ( -0.055 0.683 -3.786) 3.847 3.443 ( -2.433 -2.934 0.369) 3.829 3.510 ( 0.907 1.364 -1.004) 1.921 3.542 ( 0.007 -3.536 -1.188) 3.730 3.612 ( 4.526 -2.715 1.535) 5.497 3.659 ( 1.545 -3.642 -2.910) 4.911 3.806 ( 1.398 -0.252 5.482) 5.663 3.913 ( 2.803 -4.158 0.495) 5.039 3.997 ( -2.141 -1.151 0.932) 2.603 4.050 ( -2.969 -0.602 -2.202) 3.745 4.150 ( 6.720 1.413 1.532) 7.036 4.227 ( -3.575 1.080 1.276) 3.947 4.312 ( 1.786 -0.643 1.728) 2.567 4.408 ( 2.750 4.668 -6.428) 8.407 4.561 ( -3.248 -3.260 4.592) 6.501 4.645 ( 2.706 -4.678 -0.083) 5.405 4.770 ( -3.437 -0.693 -3.139) 4.706 4.800 ( -1.100 0.919 -0.427) 1.495 4.938 ( -5.774 -1.273 -3.739) 6.996 4.978 ( -5.245 1.008 4.050) 6.703 5.087 ( -3.223 -0.605 -1.336) 3.541 5.198 ( 0.052 0.352 -1.073) 1.130 5.285 ( 0.990 1.210 -0.650) 1.693 5.330 ( 1.418 0.626 -4.375) 4.641 5.414 ( 4.114 0.749 0.501) 4.212 5.501 ( 4.378 3.261 0.296) 5.467 5.794 ( -2.273 -6.500 0.048) 6.886 5.909 ( -0.435 -6.944 0.653) 6.988 6.003 ( 2.272 -0.290 -0.677) 2.388 6.086 ( 0.967 -2.372 0.565) 2.623 6.393 ( -4.311 6.324 -0.925) 7.709 6.412 ( -1.425 4.147 2.508) 5.052 6.483 ( -8.522 -1.886 -1.314) 8.826 6.616 ( -5.011 -2.057 -1.340) 5.580 6.779 ( -3.072 0.890 -1.400) 3.492 7.046 ( -5.317 2.820 -0.120) 6.019 7.097 ( -5.531 -3.430 2.955) 7.147 7.305 ( -7.472 1.955 0.064) 7.724 7.556 ( -4.316 5.730 -2.723) 7.673 7.774 ( -14.713 7.966 -2.810) 16.966 7.878 ( 14.815 -0.046 8.096) 16.883 7.944 ( 6.869 -0.153 6.584) 9.516 7.967 ( 4.824 -0.722 0.742) 4.934 8.170 ( 2.875 -1.297 0.969) 3.300 8.278 ( -3.219 7.722 2.411) 8.706 8.510 ( -4.012 1.488 -1.413) 4.506 8.623 ( 0.341 1.784 -0.660) 1.932 8.808 ( 1.376 3.930 1.820) 4.544 8.885 ( 3.131 4.238 0.931) 5.351 8.975 ( -6.184 -0.288 -0.512) 6.212 9.083 ( 4.752 -5.417 6.167) 9.484 9.148 ( -1.680 -9.892 -3.983) 10.796 9.177 ( -0.321 -3.507 3.758) 5.150 9.303 ( -0.736 0.718 -3.912) 4.044 9.444 ( 2.017 0.150 4.250) 4.707 9.451 ( -1.262 -1.440 -0.072) 1.915 9.634 ( -1.231 0.804 -0.957) 1.755 9.732 ( -1.763 1.693 1.473) 2.854 9.830 ( -0.657 10.662 -0.357) 10.688 9.882 ( -3.304 6.760 -2.200) 7.840 10.043 ( 0.749 -1.694 2.513) 3.122 10.121 ( 1.136 -2.379 -5.027) 5.677 10.188 ( -4.261 -2.120 -0.119) 4.761 10.314 ( 5.034 1.571 -1.290) 5.429 10.382 ( 2.383 -5.179 0.860) 5.765 10.435 ( -8.363 -1.098 1.083) 8.504 10.458 ( 7.082 -3.973 -3.723) 8.933 10.591 ( -10.621 -0.627 0.166) 10.641 10.643 ( -6.104 -1.822 2.967) 7.028 10.773 ( -3.407 3.447 -2.961) 5.680 10.809 ( -7.327 -0.738 3.230) 8.041 10.843 ( -5.320 6.084 0.506) 8.098 10.993 ( -3.108 6.598 2.954) 7.869 11.081 ( 4.306 -0.242 -0.906) 4.407 11.158 ( -0.332 -3.362 0.927) 3.503 11.310 ( -4.821 2.240 -1.496) 5.522 11.400 ( -0.654 -1.111 -4.376) 4.562 11.452 ( 2.164 1.464 -0.468) 2.655 11.484 ( 2.406 1.655 0.672) 2.997 11.607 ( 7.248 -3.519 3.544) 8.802 11.730 ( 2.385 -2.164 4.655) 5.660 11.824 ( -0.717 -6.315 -0.015) 6.355 11.862 ( 6.004 2.892 1.537) 6.839 11.905 ( 0.201 -4.837 -7.228) 8.700 12.041 ( 0.822 1.106 -3.630) 3.883 12.104 ( 3.707 2.391 3.215) 5.458 12.188 ( 6.005 -4.536 -2.214) 7.844 12.375 ( 9.046 -4.558 -0.114) 10.130 12.408 ( 7.303 -6.330 -2.954) 10.106 12.453 ( -3.438 1.932 -2.153) 4.493 12.595 ( 7.034 -0.714 -0.838) 7.120 12.641 ( 10.600 -0.562 -1.962) 10.795 12.703 ( 1.374 0.025 -2.725) 3.052 12.744 ( 10.861 -5.281 0.280) 12.080 12.908 ( 7.995 -1.770 6.376) 10.378 13.027 ( 8.799 -4.959 4.260) 10.962 13.128 ( 2.363 -1.922 3.017) 4.287 13.175 ( 5.360 1.546 -2.457) 6.096 13.276 ( 2.428 -5.948 -1.837) 6.682 13.315 ( 2.648 -4.043 -1.556) 5.078 13.540 ( 5.647 13.468 0.866) 14.629 13.600 ( 1.708 1.111 -0.473) 2.092 13.671 ( 4.984 7.476 1.386) 9.092 13.721 ( 3.590 -5.554 -5.913) 8.871 14.433 ( -10.036 -6.441 1.662) 12.041 14.566 ( -4.675 1.796 -4.751) 6.903 14.616 ( -0.323 -1.313 -6.071) 6.219 14.644 ( -0.096 -2.848 -2.618) 3.869 14.902 ( 0.162 -3.267 -4.488) 5.553 14.965 ( 1.143 -3.657 0.684) 3.892 15.070 ( 1.320 1.620 3.848) 4.379 15.181 ( 3.133 2.251 1.360) 4.091 15.214 ( 8.177 3.543 3.751) 9.669 15.320 ( 6.146 -0.052 -0.476) 6.165 15.870 ( -6.227 9.765 -2.005) 11.754 15.935 ( -1.529 11.594 2.795) 12.024 16.292 ( -6.837 0.940 1.693) 7.106 16.324 ( -5.185 2.029 1.573) 5.786 16.722 ( -0.834 -2.184 5.565) 6.036 16.800 ( 1.129 0.417 -4.726) 4.877 17.018 ( -11.229 -6.590 4.331) 13.721 17.137 ( -4.155 -5.710 -1.859) 7.303 18.074 ( -5.236 -0.237 5.506) 7.602 18.126 ( -4.158 -1.415 -4.560) 6.331 18.289 ( -5.159 2.196 2.561) 6.165 18.315 ( -4.766 1.503 -3.601) 6.160 21.042 ( -0.000 1.895 -1.562) 2.456 21.108 ( 2.933 1.937 0.059) 3.516 21.333 ( 3.447 -4.490 2.214) 6.077 21.398 ( 8.010 -3.112 2.172) 8.864 22.144 ( -2.190 3.703 6.070) 7.440 22.261 ( 1.273 4.627 -5.787) 7.518 22.530 ( -0.654 -3.847 5.284) 6.569 22.666 ( 4.717 -0.044 0.592) 4.754 22.794 ( 0.128 6.943 -2.526) 7.389 22.850 ( 2.690 6.295 -0.170) 6.848 23.372 ( -2.325 4.096 -1.206) 4.862 23.451 ( 2.399 4.322 1.479) 5.160 23.695 ( -1.269 -2.728 -3.804) 4.850 23.781 ( 3.417 -0.115 3.262) 4.725 24.014 ( -3.394 -4.879 -0.494) 5.964 24.130 ( -0.216 -1.974 -6.350) 6.654 24.255 ( -0.057 0.817 -7.116) 7.163 24.419 ( 7.642 -5.433 9.006) 13.001 24.794 ( -3.831 -3.972 -2.915) 6.241 24.827 ( -1.083 -3.331 3.163) 4.720 25.250 ( -10.291 -5.293 -6.476) 13.261 25.323 ( -8.356 -7.307 5.376) 12.333 26.294 ( -12.981 8.347 -0.554) 15.443 26.451 ( -13.954 7.794 -1.922) 16.098 26.795 ( 3.292 0.452 -0.525) 3.364 26.844 ( 4.030 0.375 0.545) 4.084 26.848 ( 5.202 -0.548 0.356) 5.243 26.978 ( 2.763 -0.900 0.997) 3.072 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 11.275 4.468 -2.278) 12.340 1.508 ( 14.121 9.916 2.052) 17.376 1.677 ( 7.173 2.446 -5.007) 9.083 1.851 ( 8.448 3.673 -3.968) 10.030 2.004 ( 7.969 4.933 4.699) 10.484 2.096 ( 6.014 4.142 3.965) 8.310 2.159 ( -0.314 -1.193 0.624) 1.382 2.224 ( -2.843 -2.273 -0.054) 3.640 2.307 ( -1.134 0.769 -0.631) 1.508 2.400 ( 5.959 -2.793 1.357) 6.720 2.464 ( -0.153 1.299 -0.641) 1.457 2.514 ( 4.574 -6.368 -3.656) 8.651 2.571 ( -0.344 -1.146 1.446) 1.877 2.652 ( 0.651 0.150 3.758) 3.817 2.699 ( -6.510 1.021 1.588) 6.779 2.754 ( -5.729 2.201 0.524) 6.159 2.778 ( -0.420 -2.083 3.775) 4.332 2.839 ( -1.330 -2.719 0.283) 3.040 2.851 ( 4.267 1.243 -0.124) 4.446 2.957 ( 8.915 3.319 0.387) 9.520 3.041 ( -0.054 -3.897 -0.009) 3.898 3.141 ( 5.430 -0.804 -0.254) 5.495 3.151 ( 3.865 0.699 4.636) 6.076 3.237 ( 3.447 2.957 -11.887) 12.725 3.279 ( 9.232 0.993 -0.856) 9.325 3.314 ( 6.782 1.631 2.828) 7.527 3.384 ( -2.175 -2.046 -2.193) 3.705 3.439 ( -2.258 1.460 -3.667) 4.547 3.490 ( 5.317 0.864 -4.813) 7.224 3.539 ( 0.960 -3.389 0.074) 3.523 3.645 ( 2.265 2.231 1.117) 3.370 3.729 ( 1.380 0.659 5.285) 5.502 3.837 ( -7.818 0.763 -4.298) 8.954 3.880 ( 0.593 4.908 1.891) 5.293 3.975 ( -1.367 -8.285 4.206) 9.392 4.053 ( 4.088 -1.372 -2.992) 5.248 4.156 ( -2.514 3.410 2.253) 4.798 4.244 ( -3.647 1.778 5.774) 7.057 4.347 ( 0.743 -0.865 4.656) 4.794 4.408 ( -1.049 -0.169 -0.935) 1.415 4.511 ( -1.948 4.272 3.269) 5.721 4.632 ( -1.423 -3.909 -5.258) 6.704 4.711 ( -2.123 -4.847 1.446) 5.486 4.780 ( -0.892 2.836 -3.285) 4.430 4.806 ( -6.601 -4.340 2.080) 8.169 4.975 ( 0.087 0.270 6.945) 6.951 5.030 ( -1.139 -0.227 0.352) 1.214 5.139 ( -2.974 2.989 -5.367) 6.825 5.232 ( 0.962 2.372 -2.899) 3.867 5.353 ( 0.576 -1.561 -3.564) 3.933 5.499 ( 1.114 2.274 -1.858) 3.141 5.576 ( 4.950 2.479 -0.717) 5.582 5.791 ( 2.454 -4.906 -2.881) 6.196 5.897 ( 0.911 -4.846 -0.769) 4.990 6.058 ( -2.588 2.826 -3.374) 5.105 6.124 ( 4.395 0.746 4.281) 6.180 6.261 ( -8.814 1.338 -3.508) 9.580 6.350 ( -3.678 2.262 0.716) 4.377 6.403 ( 1.450 5.231 2.115) 5.826 6.577 ( 4.148 2.038 2.528) 5.268 6.769 ( -3.066 -0.713 1.235) 3.382 6.857 ( -8.207 3.241 1.037) 8.885 7.024 ( -6.768 0.674 0.393) 6.813 7.072 ( -8.918 3.134 -2.172) 9.699 7.350 ( -12.606 1.169 -2.122) 12.837 7.493 ( -11.191 6.571 -0.900) 13.009 7.806 ( -8.881 -4.652 -0.746) 10.053 8.045 ( 0.559 -1.776 2.332) 2.984 8.300 ( 7.863 2.651 -0.282) 8.303 8.391 ( 14.989 1.498 9.993) 18.077 8.434 ( 14.997 -1.064 2.819) 15.297 8.504 ( 5.637 2.442 -5.065) 7.962 8.646 ( 0.448 2.678 0.591) 2.778 8.796 ( -4.953 3.334 -0.778) 6.021 8.881 ( 4.294 -1.326 3.443) 5.662 9.028 ( 5.365 -0.926 1.030) 5.541 9.095 ( -1.223 -4.245 5.210) 6.831 9.161 ( 2.695 -7.183 -1.378) 7.795 9.240 ( -3.735 0.526 2.399) 4.470 9.286 ( 0.945 -1.939 2.491) 3.295 9.412 ( -1.131 2.135 1.300) 2.744 9.484 ( -1.755 -4.238 0.773) 4.652 9.561 ( -0.846 1.605 1.703) 2.488 9.676 ( -5.621 1.074 -1.501) 5.916 9.738 ( -2.748 8.923 -0.120) 9.337 9.841 ( -2.415 4.142 1.439) 5.006 10.015 ( -5.465 0.393 -2.757) 6.133 10.050 ( -4.697 -4.455 -3.416) 7.320 10.107 ( -3.114 -1.992 -4.601) 5.902 10.207 ( -10.237 -2.718 1.525) 10.701 10.323 ( -5.977 -1.507 2.218) 6.551 10.387 ( -0.732 0.254 4.273) 4.343 10.446 ( -4.659 -0.950 4.396) 6.476 10.544 ( 0.584 -0.582 1.719) 1.907 10.604 ( 5.026 2.265 -2.805) 6.185 10.675 ( -4.116 8.839 4.918) 10.920 10.831 ( 6.399 0.708 -3.624) 7.388 10.874 ( 1.834 -1.010 -1.162) 2.394 11.011 ( 4.565 2.232 -0.205) 5.086 11.090 ( -1.430 -1.437 -0.753) 2.162 11.134 ( -2.289 3.974 -8.121) 9.327 11.245 ( -0.195 -1.560 3.136) 3.508 11.352 ( 1.072 -2.636 -0.071) 2.846 11.529 ( 1.156 2.377 0.799) 2.761 11.558 ( 4.262 0.375 -4.196) 5.993 11.665 ( -3.296 0.703 3.081) 4.566 11.718 ( -4.127 -0.252 0.512) 4.167 11.765 ( -4.419 -4.915 1.823) 6.856 11.830 ( 0.243 -5.311 -3.007) 6.108 11.977 ( 5.224 2.877 -8.041) 10.011 12.051 ( 0.491 -0.310 -2.530) 2.596 12.158 ( -2.436 6.939 1.209) 7.453 12.334 ( 7.433 -3.822 4.655) 9.567 12.423 ( 0.590 -0.916 3.858) 4.009 12.550 ( 5.071 0.779 -6.497) 8.278 12.589 ( 5.959 -9.928 1.117) 11.633 12.684 ( 16.163 -3.454 0.369) 16.532 12.753 ( 7.298 -5.938 0.496) 9.422 12.894 ( 9.949 -0.701 0.344) 9.980 12.947 ( 8.151 4.768 2.032) 9.660 13.110 ( 5.354 -5.553 3.614) 8.519 13.218 ( 3.405 1.316 -7.004) 7.899 13.242 ( 5.707 -3.669 4.203) 7.981 13.292 ( 2.851 -8.303 3.514) 9.456 13.312 ( 8.650 -1.910 -0.720) 8.888 13.374 ( 2.482 -3.562 1.332) 4.541 13.583 ( -3.088 -3.060 0.370) 4.363 13.705 ( 6.141 1.209 -5.667) 8.444 13.734 ( 6.457 6.526 -3.428) 9.800 13.853 ( 7.181 4.316 5.049) 9.782 14.195 ( -10.107 0.804 -3.872) 10.853 14.429 ( -6.226 3.413 -4.369) 8.337 14.578 ( 2.009 -3.447 -7.631) 8.611 14.654 ( 1.990 -6.953 -4.338) 8.434 14.879 ( -1.869 -8.377 -0.367) 8.591 14.944 ( -0.561 -4.313 0.017) 4.350 15.159 ( 5.178 4.831 2.756) 7.600 15.302 ( 3.117 0.994 1.411) 3.563 15.368 ( 5.471 8.550 3.657) 10.789 15.513 ( 12.336 -0.773 2.340) 12.580 15.709 ( -6.688 3.455 -1.390) 7.655 15.905 ( -2.719 9.199 1.696) 9.741 16.107 ( -10.278 -0.394 -2.142) 10.506 16.210 ( -7.884 3.658 3.362) 9.319 16.737 ( -1.701 -2.488 5.832) 6.565 16.795 ( -1.550 -1.751 -1.003) 2.544 16.813 ( -8.345 -0.164 3.857) 9.195 17.011 ( -4.790 -4.169 -5.968) 8.714 17.971 ( -7.455 -0.300 4.038) 8.484 17.994 ( -5.130 -0.580 -4.773) 7.031 18.179 ( -6.123 1.709 1.024) 6.439 18.192 ( -5.176 1.443 -0.989) 5.464 21.060 ( 2.241 1.674 -0.328) 2.816 21.159 ( 2.229 1.027 -0.796) 2.580 21.466 ( 5.132 -6.234 8.719) 11.884 21.591 ( 9.094 -5.585 1.237) 10.744 22.140 ( -1.981 4.354 5.880) 7.580 22.253 ( 1.750 4.724 -5.274) 7.294 22.569 ( 0.802 -2.927 5.104) 5.938 22.742 ( 2.256 -1.425 -6.354) 6.892 22.813 ( 1.701 7.075 6.859) 10.000 22.911 ( 2.768 4.613 1.678) 5.635 23.312 ( -2.081 4.250 -3.078) 5.646 23.477 ( 0.235 6.554 -3.258) 7.323 23.633 ( -1.521 -6.401 -7.277) 9.811 23.857 ( 0.882 3.592 1.468) 3.980 23.937 ( -0.891 -6.195 -2.232) 6.645 24.092 ( -0.259 2.564 -3.671) 4.485 24.258 ( 4.823 -2.385 -7.801) 9.477 24.581 ( -2.238 -12.251 6.831) 14.204 24.703 ( 0.211 0.654 -0.275) 0.740 24.822 ( -1.403 -2.129 3.269) 4.146 25.066 ( -1.671 0.035 -5.437) 5.688 25.177 ( -7.402 -2.005 5.002) 9.155 25.966 ( -16.785 7.748 -3.565) 18.828 26.087 ( -20.019 6.833 1.316) 21.194 26.872 ( 4.100 0.294 -0.557) 4.148 26.911 ( 2.566 -0.555 1.292) 2.926 26.980 ( 6.239 -1.489 -1.916) 6.694 27.031 ( 1.571 -2.102 1.767) 3.164 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 10.949 1.347 3.748) 11.651 1.757 ( 8.612 3.512 3.295) 9.867 1.852 ( 7.321 1.266 -1.296) 7.542 1.987 ( 6.514 4.524 -3.274) 8.580 2.074 ( -2.765 -0.231 -3.343) 4.344 2.094 ( -1.449 -0.652 5.523) 5.747 2.196 ( -1.175 2.460 -0.066) 2.727 2.249 ( 5.102 3.261 -2.463) 6.537 2.338 ( -3.353 -1.103 -3.266) 4.810 2.345 ( 2.712 0.747 4.423) 5.242 2.391 ( -12.459 1.990 1.982) 12.772 2.494 ( -7.961 2.424 -0.072) 8.322 2.567 ( 4.927 -2.654 3.224) 6.459 2.632 ( 4.671 0.658 4.747) 6.692 2.708 ( -0.367 -2.346 3.200) 3.985 2.755 ( 2.197 -1.899 2.121) 3.596 2.830 ( 1.433 -6.546 1.757) 6.928 2.860 ( 3.315 -4.819 1.925) 6.158 2.901 ( 0.477 -2.296 0.468) 2.391 3.036 ( -0.125 -1.732 -3.277) 3.709 3.104 ( 2.916 2.949 -0.619) 4.193 3.177 ( -6.924 -0.814 -3.174) 7.660 3.229 ( 3.452 -1.479 0.355) 3.772 3.255 ( -0.760 3.094 0.827) 3.292 3.301 ( 7.253 2.695 -4.392) 8.897 3.379 ( -3.320 0.110 -2.590) 4.212 3.424 ( 3.942 -3.090 -4.045) 6.438 3.443 ( 3.730 0.787 -0.772) 3.890 3.586 ( 3.659 -1.943 -3.138) 5.197 3.633 ( 2.435 2.705 6.745) 7.664 3.656 ( -1.020 -1.944 0.174) 2.202 3.735 ( 2.172 3.922 -1.204) 4.643 3.782 ( 2.086 4.444 0.436) 4.928 3.882 ( -1.399 -2.849 3.641) 4.830 3.904 ( -3.870 4.506 -1.029) 6.028 4.071 ( 0.440 -1.717 -4.321) 4.671 4.106 ( -5.477 3.688 -1.386) 6.747 4.146 ( -6.082 3.478 2.012) 7.290 4.362 ( 1.719 -1.443 2.067) 3.051 4.406 ( 0.344 -2.745 4.769) 5.513 4.488 ( -5.264 -0.560 0.066) 5.294 4.584 ( -1.238 -2.451 -4.062) 4.903 4.673 ( 2.435 -2.051 3.084) 4.433 4.768 ( 0.049 -2.407 4.006) 4.674 4.823 ( 4.194 1.120 2.833) 5.183 4.981 ( -2.274 -1.252 3.389) 4.269 5.027 ( -1.132 -0.161 -1.675) 2.028 5.089 ( 2.467 4.651 -2.438) 5.802 5.259 ( 1.826 -4.382 -0.957) 4.842 5.372 ( 0.798 0.860 3.034) 3.253 5.458 ( 0.128 7.490 -5.462) 9.271 5.641 ( 1.112 5.649 -4.939) 7.585 5.812 ( 1.405 0.044 -3.206) 3.501 5.892 ( -3.815 0.664 -2.736) 4.742 5.996 ( 0.551 -0.422 -1.730) 1.864 6.045 ( -7.943 0.160 -0.436) 7.956 6.229 ( 0.472 6.176 1.114) 6.293 6.256 ( 0.090 3.749 2.432) 4.470 6.488 ( 1.378 -0.477 3.883) 4.148 6.667 ( 1.549 3.750 -0.574) 4.098 6.687 ( -0.368 -0.999 -0.650) 1.248 6.772 ( -6.770 3.312 -0.329) 7.544 6.938 ( -0.070 -2.198 3.808) 4.398 6.996 ( 1.679 1.238 -0.860) 2.256 7.138 ( -5.627 0.442 0.392) 5.658 7.299 ( -4.623 7.611 -7.590) 11.701 7.757 ( 3.684 -4.996 1.619) 6.415 7.981 ( -7.232 -4.478 -1.593) 8.654 8.371 ( 1.326 4.203 2.582) 5.108 8.480 ( -1.426 2.609 -2.878) 4.138 8.628 ( 4.576 -1.199 -1.588) 4.990 8.655 ( 0.886 -1.841 0.498) 2.103 8.779 ( 7.808 1.223 1.768) 8.099 8.860 ( 10.623 2.989 5.130) 12.170 8.981 ( -0.026 -0.820 3.300) 3.400 9.041 ( -6.319 1.784 -3.606) 7.491 9.116 ( -0.038 -4.751 1.476) 4.975 9.150 ( 2.600 -1.200 4.684) 5.490 9.237 ( 4.249 -4.793 1.114) 6.502 9.331 ( -2.627 -3.574 7.115) 8.384 9.364 ( -2.878 1.866 0.485) 3.464 9.477 ( 0.591 -3.049 2.450) 3.956 9.530 ( -4.407 -0.884 -2.454) 5.121 9.625 ( 2.081 1.079 -3.014) 3.819 9.719 ( -0.654 2.966 5.981) 6.708 9.792 ( -2.971 1.903 2.276) 4.199 9.896 ( -2.978 3.829 -1.885) 5.205 9.932 ( -5.162 -2.451 1.242) 5.847 10.014 ( -1.462 0.834 -3.429) 3.820 10.072 ( -0.747 -2.080 -11.294) 11.508 10.244 ( -4.439 -4.441 12.312) 13.821 10.403 ( -2.429 -1.001 1.931) 3.261 10.482 ( 3.590 -3.042 9.649) 10.735 10.543 ( 0.059 6.599 1.413) 6.749 10.652 ( 3.883 7.896 -6.297) 10.820 10.710 ( 1.902 3.241 6.818) 7.785 10.850 ( -3.728 0.736 -4.294) 5.734 10.896 ( 0.234 0.673 0.096) 0.719 10.938 ( -3.906 2.488 -7.060) 8.443 10.998 ( -2.925 6.045 -7.690) 10.209 11.250 ( 9.164 -6.149 1.982) 11.212 11.320 ( 4.580 0.359 5.965) 7.529 11.422 ( 4.410 -1.554 -1.597) 4.940 11.476 ( -4.544 -1.614 0.182) 4.826 11.536 ( -3.314 0.987 -4.435) 5.624 11.637 ( -0.075 0.270 -1.555) 1.580 11.644 ( -3.164 -2.207 -3.063) 4.927 11.684 ( -2.478 -1.449 0.920) 3.015 11.859 ( 3.212 -8.084 -0.536) 8.715 11.987 ( -5.298 -0.748 -2.070) 5.737 12.015 ( 1.426 6.056 -4.797) 7.856 12.065 ( -0.844 5.448 -3.711) 6.646 12.443 ( 1.142 -5.056 0.772) 5.241 12.475 ( 2.613 -2.283 0.721) 3.544 12.690 ( 8.504 -0.545 6.802) 10.903 12.725 ( 1.129 -2.226 10.308) 10.606 12.902 ( 4.522 -3.923 3.180) 6.779 12.948 ( 6.598 -2.731 -2.467) 7.556 13.058 ( 2.683 -3.015 1.969) 4.490 13.089 ( -1.617 -7.959 -4.950) 9.511 13.133 ( 6.285 -5.940 1.670) 8.808 13.265 ( -0.280 3.929 1.675) 4.280 13.303 ( 1.920 -5.695 -2.659) 6.572 13.345 ( 1.202 -1.575 1.812) 2.685 13.377 ( -2.476 0.187 0.847) 2.623 13.441 ( 6.224 -1.074 -0.897) 6.379 13.573 ( 2.173 0.679 -0.859) 2.434 13.655 ( -3.897 1.082 -5.071) 6.486 13.923 ( 9.570 8.279 -5.766) 13.906 13.946 ( -1.043 4.360 2.772) 5.271 14.080 ( 2.272 4.451 -2.750) 5.704 14.283 ( -5.343 2.908 -2.293) 6.501 14.597 ( 1.764 -7.246 -4.957) 8.955 14.637 ( 0.903 -6.417 -7.143) 9.644 14.845 ( 1.716 -6.634 -2.479) 7.287 14.892 ( -6.262 -2.789 1.902) 7.114 15.291 ( 2.848 -1.371 0.668) 3.231 15.328 ( 1.755 -0.370 2.728) 3.265 15.473 ( 3.003 5.471 3.667) 7.238 15.660 ( 3.011 2.276 1.757) 4.164 15.785 ( 8.755 1.138 0.306) 8.834 15.819 ( -7.670 -2.516 -1.975) 8.310 15.922 ( -2.160 6.030 0.300) 6.412 16.060 ( -8.250 4.026 1.315) 9.273 16.655 ( -8.784 -0.405 13.982) 16.517 16.749 ( -1.544 -2.125 4.207) 4.959 16.814 ( 2.318 -0.250 -4.122) 4.736 16.902 ( -0.764 -2.217 -8.720) 9.030 17.857 ( -5.386 0.415 2.995) 6.177 17.893 ( -1.095 0.049 -4.121) 4.264 18.090 ( -3.418 1.611 2.036) 4.293 18.114 ( -0.983 1.184 -1.969) 2.499 21.114 ( 2.354 1.609 1.005) 3.023 21.179 ( 0.277 1.334 -1.645) 2.136 21.609 ( 1.865 -7.898 10.924) 13.608 21.749 ( 5.985 -9.264 -1.496) 11.130 22.145 ( -1.390 5.933 6.340) 8.794 22.263 ( 2.210 5.264 -4.794) 7.455 22.611 ( 0.071 -3.709 4.401) 5.756 22.712 ( -0.450 -3.077 -5.063) 5.942 22.898 ( 1.355 6.160 6.919) 9.362 22.981 ( 2.876 4.400 1.574) 5.488 23.260 ( -0.965 4.295 -2.131) 4.891 23.424 ( -1.642 8.107 -8.177) 11.631 23.557 ( -0.864 -3.974 -4.248) 5.881 23.747 ( -6.769 3.675 -6.440) 10.040 24.003 ( 3.156 -3.621 2.353) 5.348 24.090 ( 2.473 1.631 -4.466) 5.360 24.342 ( 6.741 -5.242 -3.494) 9.226 24.452 ( -8.707 -6.099 1.993) 10.816 24.746 ( -1.121 -6.184 5.259) 8.195 24.814 ( 0.468 -4.065 -0.734) 4.157 25.112 ( 6.149 4.595 -1.049) 7.747 25.146 ( -0.330 5.782 3.690) 6.867 25.666 ( -8.332 3.994 -1.986) 9.451 25.720 ( -14.372 4.580 0.369) 15.088 26.937 ( 2.423 -0.297 -0.369) 2.469 26.948 ( 0.379 -0.571 0.626) 0.929 27.055 ( -0.088 -1.564 1.630) 2.261 27.066 ( 2.925 -1.571 -1.704) 3.732 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -13.658 3.770 -1.428) 14.241 1.750 ( -9.679 5.254 5.155) 12.160 1.883 ( -9.224 0.514 -4.416) 10.239 1.934 ( 3.608 0.590 4.182) 5.555 1.998 ( -8.502 3.388 -0.007) 9.152 2.148 ( 3.547 0.907 1.048) 3.808 2.173 ( -5.698 0.534 5.093) 7.661 2.218 ( 2.404 -0.489 1.374) 2.811 2.267 ( 3.885 0.496 -0.728) 3.984 2.417 ( 1.710 -0.552 -3.268) 3.730 2.445 ( 2.159 -1.685 -2.533) 3.731 2.489 ( 9.379 1.957 -0.586) 9.599 2.626 ( 1.034 -4.850 -0.972) 5.054 2.708 ( 2.517 -2.192 -1.294) 3.580 2.735 ( -0.367 -1.010 1.459) 1.812 2.761 ( -0.699 -1.724 -0.824) 2.035 2.843 ( -2.270 0.350 6.767) 7.146 2.905 ( 0.111 -4.694 -0.675) 4.744 2.923 ( -6.381 -0.146 0.389) 6.394 2.964 ( -0.982 -1.460 -1.732) 2.469 3.033 ( -7.067 1.973 3.223) 8.014 3.112 ( 2.833 1.340 0.300) 3.148 3.199 ( -9.156 1.273 0.791) 9.278 3.264 ( 0.658 3.060 -2.500) 4.005 3.300 ( -4.616 2.651 3.597) 6.424 3.381 ( -0.007 -3.720 -0.790) 3.803 3.402 ( 0.287 2.256 -6.927) 7.290 3.469 ( -0.840 -1.746 -3.212) 3.752 3.502 ( -3.154 -3.418 4.012) 6.142 3.548 ( -9.480 0.788 8.234) 12.582 3.721 ( -6.971 2.709 -0.643) 7.506 3.770 ( 11.946 -3.454 -1.589) 12.536 3.841 ( 0.422 3.093 -3.504) 4.693 3.901 ( 3.642 4.694 -0.260) 5.947 3.944 ( -0.173 -0.238 2.082) 2.103 3.993 ( -1.701 0.109 -3.057) 3.501 4.065 ( 2.785 3.509 2.376) 5.071 4.138 ( 4.754 3.015 3.788) 6.785 4.375 ( -3.414 -1.093 -1.541) 3.902 4.458 ( 4.599 -1.181 0.720) 4.802 4.475 ( 2.951 -4.487 3.614) 6.474 4.578 ( 5.013 -2.489 -4.696) 7.307 4.715 ( -3.446 -3.364 -0.558) 4.849 4.813 ( 7.097 -1.408 -0.789) 7.278 4.914 ( -2.058 0.032 -4.283) 4.752 4.964 ( 2.355 2.004 0.190) 3.098 5.016 ( 0.627 -2.727 1.577) 3.212 5.102 ( 2.448 -0.032 -3.034) 3.899 5.267 ( -5.381 3.245 0.153) 6.286 5.370 ( 4.103 3.663 2.301) 5.962 5.471 ( -8.815 3.893 -4.925) 10.822 5.534 ( -0.238 4.603 3.913) 6.046 5.793 ( -2.393 1.984 -0.397) 3.134 5.856 ( 3.007 1.678 -0.731) 3.520 5.968 ( -0.787 1.778 0.428) 1.991 6.057 ( 6.993 -1.950 -1.369) 7.388 6.243 ( -0.182 4.026 -0.253) 4.038 6.291 ( 2.601 4.150 -0.739) 4.953 6.536 ( -7.851 -1.105 -0.500) 7.944 6.623 ( 4.862 -1.067 4.009) 6.391 6.702 ( 2.294 2.401 -2.702) 4.281 6.771 ( 7.823 3.841 -1.427) 8.831 6.925 ( -3.966 -2.823 5.279) 7.181 7.034 ( -0.750 -2.307 -4.646) 5.241 7.137 ( 4.165 9.527 5.720) 11.867 7.250 ( 6.274 5.594 -7.038) 10.963 7.810 ( -4.983 -4.395 -3.786) 7.647 7.931 ( 9.323 -5.992 3.460) 11.610 8.402 ( -2.942 3.443 0.936) 4.625 8.417 ( -0.862 4.461 1.952) 4.945 8.612 ( -4.696 -1.950 0.113) 5.086 8.666 ( -0.617 -2.421 -0.827) 2.632 8.788 ( -10.341 1.791 -0.361) 10.501 8.908 ( -2.970 0.857 1.129) 3.291 8.976 ( 3.399 4.224 0.551) 5.449 9.032 ( 2.262 -0.784 -0.405) 2.428 9.149 ( -0.518 -5.265 5.863) 7.897 9.219 ( -4.579 -7.748 -0.831) 9.038 9.221 ( -3.128 -1.838 -3.797) 5.251 9.341 ( 6.876 3.570 4.150) 8.789 9.380 ( 0.090 -3.225 3.157) 4.514 9.469 ( 1.247 -3.621 -3.041) 4.890 9.530 ( 0.600 -0.275 5.400) 5.440 9.583 ( -1.270 3.079 -3.770) 5.031 9.762 ( -1.330 1.983 5.583) 6.072 9.799 ( 1.769 -2.389 5.522) 6.272 9.831 ( -3.613 1.356 0.644) 3.912 9.941 ( 4.254 1.195 -0.336) 4.431 9.984 ( 2.596 5.228 -4.848) 7.588 10.062 ( 6.110 -5.068 -8.564) 11.677 10.304 ( 2.178 -4.373 10.606) 11.677 10.392 ( 1.306 -1.557 1.499) 2.525 10.492 ( -3.044 6.055 2.666) 7.283 10.635 ( -0.595 2.742 -3.122) 4.198 10.679 ( -2.272 0.104 -6.072) 6.484 10.748 ( 4.904 0.668 5.233) 7.203 10.787 ( 1.479 4.863 4.135) 6.552 10.847 ( -1.583 1.298 -5.182) 5.571 10.881 ( 0.652 5.736 -0.489) 5.794 10.982 ( 4.169 4.060 -4.743) 7.507 11.235 ( -9.688 -5.279 1.714) 11.165 11.401 ( -3.272 2.825 -0.704) 4.380 11.426 ( -1.356 -2.348 -0.906) 2.859 11.473 ( -1.620 -0.431 2.197) 2.764 11.507 ( 4.461 1.953 -1.120) 4.997 11.605 ( 1.584 -3.339 -0.683) 3.758 11.619 ( 3.746 -2.628 -1.450) 4.800 11.712 ( 4.250 0.690 -2.050) 4.769 11.843 ( -5.622 -3.221 0.788) 6.527 11.943 ( 4.145 -4.035 0.758) 5.834 11.992 ( -1.439 -0.054 -1.941) 2.417 12.113 ( 6.958 7.554 -6.612) 12.214 12.439 ( -3.139 -4.156 1.004) 5.305 12.486 ( 0.476 -3.359 -2.608) 4.279 12.722 ( -8.647 -0.788 10.168) 13.371 12.843 ( -7.447 -6.392 -0.531) 9.828 12.874 ( 0.333 -1.223 5.097) 5.252 12.914 ( -10.211 -2.321 -2.757) 10.828 13.013 ( -3.176 1.935 7.273) 8.169 13.056 ( -1.425 -6.467 -1.036) 6.703 13.115 ( -8.577 -5.576 -1.136) 10.293 13.259 ( 0.779 3.430 1.823) 3.961 13.277 ( -1.338 -5.694 1.314) 5.995 13.374 ( 1.351 -6.343 -0.845) 6.541 13.397 ( -3.580 -1.859 0.218) 4.039 13.544 ( 3.628 -0.119 -11.419) 11.982 13.594 ( 1.233 3.076 -0.468) 3.347 13.606 ( 5.558 0.659 -1.633) 5.831 13.825 ( -7.669 9.422 0.500) 12.159 14.037 ( 5.421 5.688 -8.384) 11.491 14.161 ( -2.544 3.154 -4.534) 6.081 14.233 ( 7.342 3.579 2.374) 8.506 14.515 ( -5.964 -1.253 0.795) 6.146 14.614 ( -0.595 -10.386 -4.179) 11.211 14.833 ( 1.640 -8.673 -1.064) 8.890 14.944 ( 8.260 -1.558 -3.668) 9.171 15.261 ( -5.175 -2.568 4.039) 7.049 15.363 ( 0.216 -1.364 -0.819) 1.606 15.552 ( -7.966 -2.047 -4.263) 9.264 15.619 ( 4.016 3.778 5.730) 7.952 15.781 ( -4.368 3.756 -1.070) 5.859 15.811 ( 3.682 -2.413 0.391) 4.420 15.930 ( -1.746 7.246 -0.369) 7.463 16.060 ( 8.947 3.722 1.151) 9.759 16.630 ( -3.479 -1.769 16.618) 17.070 16.746 ( -1.375 -2.406 5.067) 5.775 16.828 ( 1.487 0.419 -3.696) 4.006 16.883 ( 4.587 -1.323 -9.028) 10.213 17.819 ( 0.101 0.988 3.107) 3.262 17.912 ( 4.626 -1.285 -2.326) 5.335 18.080 ( 1.771 2.479 1.023) 3.214 18.135 ( 4.163 1.161 -2.149) 4.827 21.138 ( -1.967 1.544 -0.625) 2.578 21.157 ( 0.051 1.855 -0.274) 1.876 21.662 ( -2.761 -7.669 7.410) 11.016 21.795 ( 0.915 -12.824 -6.614) 14.458 22.154 ( -2.201 6.751 6.167) 9.405 22.269 ( 1.536 4.869 -5.668) 7.628 22.623 ( -1.536 -4.588 3.984) 6.267 22.675 ( -0.677 -4.868 -2.910) 5.711 22.953 ( 0.360 6.409 4.523) 7.852 23.021 ( 1.358 4.005 -3.943) 5.782 23.276 ( 1.922 5.023 4.948) 7.308 23.310 ( -3.045 5.009 -9.026) 10.762 23.558 ( -2.736 1.726 1.159) 3.436 23.637 ( 4.059 5.828 -0.077) 7.103 23.987 ( -5.543 -0.976 2.617) 6.207 24.114 ( 1.342 -2.449 -5.356) 6.040 24.291 ( -7.768 -4.304 1.850) 9.071 24.481 ( 7.469 -3.464 -1.260) 8.329 24.749 ( -0.651 -3.955 4.199) 5.804 24.860 ( 4.303 -5.894 -3.756) 8.208 25.050 ( -7.527 4.331 3.694) 9.437 25.198 ( -2.748 2.614 -0.004) 3.793 25.577 ( 6.544 8.116 4.209) 11.243 25.779 ( 14.866 2.256 -3.320) 15.398 26.930 ( -2.404 -0.214 0.352) 2.439 26.961 ( 0.007 -0.831 -0.505) 0.972 27.031 ( -3.200 -0.884 1.553) 3.665 27.091 ( 0.667 -2.161 -1.765) 2.869 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -21.161 7.519 3.734) 22.766 1.517 ( -15.249 12.772 8.314) 21.559 1.604 ( -8.995 6.966 -7.458) 13.604 1.885 ( -2.188 -2.660 -5.464) 6.459 2.015 ( -2.314 1.907 3.494) 4.604 2.106 ( -1.439 -2.562 -0.108) 2.940 2.185 ( -0.299 -0.532 0.866) 1.060 2.262 ( 0.269 2.924 0.899) 3.071 2.331 ( -6.526 -2.811 -5.312) 8.872 2.370 ( 0.457 -5.239 5.421) 7.553 2.445 ( 0.498 -1.805 2.374) 3.024 2.488 ( -10.314 2.376 3.677) 11.205 2.513 ( -13.159 3.153 -1.386) 13.602 2.684 ( -5.592 -0.219 1.523) 5.800 2.712 ( -0.544 -1.939 -1.455) 2.485 2.776 ( 0.694 -0.300 -1.486) 1.667 2.802 ( -5.791 1.159 3.401) 6.815 2.840 ( 2.482 -2.024 0.356) 3.222 2.910 ( 3.656 -0.077 5.074) 6.254 2.937 ( -4.962 3.985 0.293) 6.371 2.989 ( 0.542 0.089 -4.873) 4.904 3.037 ( 4.433 -1.347 1.734) 4.947 3.133 ( -4.498 1.200 0.262) 4.663 3.230 ( -3.775 3.095 2.560) 5.512 3.297 ( -0.591 0.871 -1.841) 2.121 3.319 ( -4.793 -1.404 1.950) 5.361 3.357 ( -1.660 0.575 -0.462) 1.816 3.381 ( -4.919 -0.308 0.833) 4.998 3.473 ( -0.053 -2.875 -2.435) 3.768 3.532 ( 0.726 -0.939 0.769) 1.414 3.650 ( 0.248 -2.033 1.793) 2.722 3.787 ( -2.754 4.030 -0.501) 4.906 3.812 ( 0.314 4.292 -3.035) 5.266 3.937 ( 2.635 -0.771 -2.969) 4.043 4.024 ( 3.063 -7.559 1.074) 8.226 4.046 ( 1.613 -0.830 -2.399) 3.008 4.123 ( 1.655 6.006 2.014) 6.547 4.282 ( 3.603 -0.340 5.668) 6.725 4.339 ( 1.653 1.583 -2.032) 3.061 4.532 ( 2.148 -7.363 -4.030) 8.665 4.553 ( -1.274 0.298 0.917) 1.597 4.579 ( 2.069 -5.140 -2.285) 5.993 4.723 ( 1.208 0.199 -1.408) 1.866 4.798 ( 0.783 1.824 -5.198) 5.564 4.899 ( 1.368 -7.690 -6.300) 10.035 5.039 ( 3.444 -0.329 0.997) 3.601 5.050 ( 3.683 3.898 -0.402) 5.377 5.135 ( 2.056 4.213 -6.924) 8.361 5.182 ( -2.479 -0.956 2.722) 3.804 5.309 ( -1.638 3.294 0.137) 3.681 5.477 ( 1.191 3.545 0.375) 3.758 5.514 ( -2.923 1.818 4.923) 6.007 5.762 ( -0.112 -1.589 0.229) 1.609 5.862 ( -2.370 -3.692 1.975) 4.811 5.980 ( 1.130 4.716 3.279) 5.854 6.174 ( -6.476 1.119 -0.363) 6.582 6.200 ( -0.063 -1.585 2.334) 2.822 6.368 ( 8.065 2.628 -0.724) 8.513 6.433 ( 0.806 2.189 -0.677) 2.430 6.648 ( -1.843 2.035 -4.107) 4.940 6.793 ( 6.008 0.655 -1.470) 6.220 6.907 ( 4.699 4.837 -3.901) 7.791 6.993 ( 8.648 0.962 5.593) 10.344 7.024 ( 6.280 -2.062 0.079) 6.611 7.326 ( 11.274 7.941 1.111) 13.835 7.474 ( 15.209 4.756 0.797) 15.955 7.810 ( 8.228 -4.727 -1.352) 9.585 8.057 ( -0.116 -3.023 1.201) 3.255 8.278 ( -9.830 2.983 1.451) 10.375 8.410 ( -5.358 5.611 4.581) 9.010 8.477 ( -8.390 -1.194 -0.898) 8.522 8.518 ( -11.722 -3.082 -2.963) 12.477 8.642 ( -3.383 2.111 0.612) 4.034 8.843 ( 0.358 5.713 -2.354) 6.189 8.945 ( -5.623 -0.956 -1.934) 6.023 9.046 ( -3.131 -1.192 -1.409) 3.635 9.102 ( -5.854 -6.590 4.569) 9.929 9.155 ( 3.646 1.570 0.396) 3.990 9.209 ( 2.051 -4.901 -4.175) 6.757 9.401 ( -3.727 -3.468 2.099) 5.507 9.409 ( -1.521 1.391 -0.385) 2.097 9.478 ( 3.535 1.712 -0.080) 3.928 9.593 ( 1.407 -2.570 -1.234) 3.179 9.605 ( 6.032 -0.670 2.881) 6.718 9.760 ( -0.141 3.378 -1.840) 3.849 9.846 ( 0.825 -2.170 12.072) 12.294 9.893 ( 5.309 2.400 1.246) 5.958 9.975 ( 4.896 2.955 -2.587) 6.277 10.115 ( 7.610 -2.553 -2.120) 8.302 10.178 ( 7.283 -1.494 0.985) 7.499 10.405 ( 0.428 0.407 -0.205) 0.625 10.429 ( -2.693 5.520 6.490) 8.935 10.511 ( 5.219 -3.732 -2.119) 6.757 10.534 ( 2.020 -2.131 -4.816) 5.641 10.611 ( -6.762 -0.403 -1.288) 6.895 10.743 ( -2.076 1.534 0.057) 2.582 10.794 ( -0.696 6.914 -5.307) 8.744 10.871 ( 2.670 -2.503 1.193) 3.849 10.971 ( 2.330 6.204 3.760) 7.620 11.033 ( 1.424 3.895 1.182) 4.312 11.111 ( 0.794 -2.292 -2.349) 3.377 11.321 ( 0.775 1.575 -3.299) 3.737 11.381 ( -1.852 -3.299 -2.393) 4.477 11.475 ( -1.918 3.828 0.593) 4.322 11.515 ( -0.939 -5.097 4.973) 7.182 11.652 ( 3.889 2.697 1.280) 4.902 11.727 ( -1.936 0.670 3.082) 3.700 11.791 ( 7.630 -2.233 -1.896) 8.174 11.811 ( 0.730 -1.558 -3.890) 4.253 11.911 ( -2.417 -1.206 0.476) 2.742 12.047 ( 3.589 -5.077 -0.114) 6.218 12.213 ( 6.154 6.202 -6.460) 10.867 12.343 ( -6.930 -5.198 4.489) 9.757 12.474 ( -10.713 -2.583 -3.918) 11.696 12.513 ( -3.728 3.034 -2.302) 5.330 12.617 ( -11.310 -6.563 0.029) 13.076 12.659 ( -13.261 -3.039 4.351) 14.283 12.770 ( -12.302 -2.785 -1.479) 12.700 12.870 ( -11.543 -1.530 1.697) 11.767 12.959 ( -7.900 3.170 2.927) 9.001 13.011 ( -3.725 -2.491 6.515) 7.908 13.209 ( -7.317 -6.289 2.067) 9.867 13.295 ( -3.063 -3.869 -7.284) 8.798 13.306 ( -1.079 4.059 0.474) 4.227 13.362 ( 0.046 -4.505 -1.325) 4.696 13.491 ( -4.915 -4.270 -10.337) 12.217 13.582 ( -2.199 -0.851 4.246) 4.857 13.666 ( 2.598 -2.918 -4.745) 6.146 13.710 ( -4.348 6.409 -0.953) 7.803 13.992 ( -4.439 0.635 -8.844) 9.916 14.197 ( 9.758 5.166 -3.964) 11.731 14.376 ( 5.572 2.900 0.708) 6.321 14.470 ( 0.829 2.535 2.935) 3.966 14.574 ( -1.778 -12.414 2.372) 12.763 14.900 ( 4.358 -11.809 -1.980) 12.742 14.978 ( -4.711 -9.676 -3.084) 11.195 15.208 ( -0.596 5.586 -1.286) 5.763 15.317 ( -3.298 2.254 0.437) 4.019 15.396 ( -7.277 6.319 -0.430) 9.647 15.572 ( -10.992 3.032 -4.475) 12.249 15.694 ( 4.685 2.643 0.372) 5.392 15.917 ( 3.165 6.618 0.057) 7.336 16.036 ( 8.707 0.014 5.009) 10.045 16.237 ( 8.017 4.636 0.413) 9.270 16.684 ( -1.427 -3.991 9.047) 9.990 16.811 ( 4.084 -5.273 11.712) 13.478 16.831 ( 1.179 1.123 -3.782) 4.118 16.956 ( 7.150 -1.399 -5.464) 9.106 17.897 ( 4.648 0.357 4.271) 6.322 18.022 ( 6.522 -3.237 -0.413) 7.293 18.168 ( 6.251 3.472 -1.136) 7.241 18.237 ( 6.955 1.821 -2.472) 7.603 21.070 ( -3.036 1.981 -1.350) 3.869 21.149 ( -1.362 1.384 0.414) 1.985 21.594 ( -6.306 -5.492 1.161) 8.442 21.683 ( -6.460 -13.809 -11.607) 19.161 22.142 ( -2.353 5.975 5.836) 8.677 22.255 ( 1.240 3.223 -5.805) 6.755 22.598 ( -4.293 -2.676 4.921) 7.057 22.649 ( -0.399 -5.064 -0.354) 5.092 22.949 ( -1.312 6.568 -3.105) 7.382 22.987 ( -1.230 6.656 -8.338) 10.740 23.241 ( -0.259 2.181 1.907) 2.909 23.371 ( 2.336 5.800 6.539) 9.047 23.530 ( 0.838 -3.124 2.771) 4.259 23.846 ( 9.600 11.390 4.241) 15.488 23.882 ( -4.164 -3.886 3.841) 6.870 24.070 ( -0.829 -0.443 -1.759) 1.994 24.162 ( -5.850 -2.568 1.198) 6.500 24.616 ( 6.119 -2.716 0.521) 6.715 24.745 ( -2.696 -3.681 -0.482) 4.588 24.878 ( 0.680 -2.081 -1.517) 2.664 24.946 ( -4.807 2.316 4.648) 7.076 25.232 ( 8.889 -5.730 -0.790) 10.605 25.881 ( 16.828 11.088 4.047) 20.555 26.111 ( 17.757 4.621 -0.913) 18.371 26.863 ( -4.063 0.228 0.280) 4.079 26.932 ( -2.495 -1.365 -0.450) 2.879 26.948 ( -5.503 -0.265 0.895) 5.581 27.075 ( -0.769 -2.933 -2.383) 3.857 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -7.683 10.514 15.784) 20.462 1.277 ( -15.177 13.975 16.309) 26.299 1.456 ( -0.237 4.749 -13.381) 14.200 1.744 ( -8.839 0.324 -6.179) 10.789 1.924 ( -6.181 6.240 -0.683) 8.810 2.031 ( -4.840 0.158 -2.009) 5.242 2.132 ( -6.846 6.722 7.021) 11.889 2.196 ( -2.959 1.982 1.253) 3.775 2.218 ( -1.789 0.174 4.003) 4.388 2.286 ( -1.740 -5.117 2.141) 5.814 2.397 ( -2.098 -0.410 2.253) 3.106 2.452 ( -1.419 1.752 0.549) 2.320 2.486 ( 0.555 -0.664 6.020) 6.082 2.573 ( -6.302 1.334 2.915) 7.071 2.660 ( -4.819 -0.765 1.821) 5.208 2.663 ( -1.647 -0.963 -1.417) 2.376 2.764 ( -5.222 2.253 0.545) 5.713 2.841 ( 1.731 2.150 -0.378) 2.786 2.894 ( 0.287 2.543 0.413) 2.592 2.948 ( -5.321 0.589 -1.595) 5.586 3.017 ( -2.784 1.315 -1.267) 3.330 3.096 ( 0.347 -2.935 1.500) 3.314 3.145 ( 3.960 0.465 -1.617) 4.302 3.163 ( 7.389 0.265 -4.544) 8.678 3.227 ( -3.323 4.463 -1.642) 5.802 3.298 ( -0.435 -4.641 6.786) 8.233 3.329 ( 3.378 -0.061 0.421) 3.404 3.427 ( 1.904 -3.861 1.944) 4.723 3.470 ( -0.970 4.804 -6.310) 7.990 3.528 ( -0.845 -2.328 -0.914) 2.640 3.619 ( -0.441 -2.288 1.001) 2.536 3.725 ( -2.398 -0.641 -3.763) 4.508 3.866 ( -6.819 -3.487 -0.009) 7.658 3.927 ( 4.777 2.034 4.718) 7.015 3.990 ( -1.967 -3.040 -6.476) 7.420 4.044 ( 0.203 -4.428 -2.801) 5.244 4.144 ( -0.975 3.295 3.840) 5.153 4.249 ( -8.839 2.670 1.977) 9.443 4.350 ( 0.341 -0.709 -1.733) 1.903 4.416 ( -3.765 -1.080 -7.816) 8.743 4.613 ( 1.327 -6.625 -0.333) 6.765 4.636 ( 2.541 -2.290 -0.052) 3.422 4.730 ( 3.509 0.594 0.744) 3.636 4.822 ( 3.210 -0.404 -2.708) 4.219 4.914 ( 1.748 -3.583 -1.456) 4.244 5.054 ( 2.384 2.620 -2.456) 4.311 5.105 ( 1.432 -2.734 -4.296) 5.289 5.185 ( 5.283 1.263 0.562) 5.461 5.228 ( 2.194 1.936 3.958) 4.923 5.300 ( 0.358 2.728 -1.476) 3.122 5.436 ( -5.497 -0.383 -1.540) 5.721 5.489 ( -2.105 4.919 1.427) 5.538 5.794 ( 3.511 -5.596 0.037) 6.606 5.867 ( -0.055 -5.552 4.517) 7.157 5.966 ( -5.112 0.723 3.008) 5.975 6.031 ( 0.230 -1.008 4.814) 4.924 6.321 ( 4.753 3.877 5.693) 8.369 6.462 ( 1.527 3.830 -3.256) 5.253 6.530 ( 7.494 -4.454 -1.530) 8.851 6.606 ( 1.716 1.467 -2.163) 3.127 6.815 ( 1.989 1.210 -4.414) 4.990 7.050 ( 7.326 2.261 -0.655) 7.694 7.151 ( 6.370 -2.660 -1.777) 7.128 7.287 ( 12.043 2.998 2.057) 12.580 7.519 ( 6.066 5.751 0.742) 8.392 7.725 ( 8.447 4.106 1.642) 9.535 7.933 ( -15.144 -5.527 1.469) 16.188 8.008 ( -11.250 6.247 -1.507) 12.956 8.098 ( -15.655 1.343 -8.343) 17.790 8.168 ( 19.262 -3.675 1.115) 19.641 8.323 ( 0.015 11.183 2.220) 11.401 8.452 ( 1.337 -3.191 1.217) 3.668 8.625 ( -1.767 2.314 -0.546) 2.962 8.833 ( -4.881 2.004 -0.162) 5.279 8.859 ( -1.454 6.741 2.647) 7.387 8.962 ( -0.780 3.301 -0.024) 3.392 9.094 ( 3.786 -10.080 0.415) 10.775 9.157 ( -5.945 2.038 2.090) 6.623 9.216 ( 2.327 -4.344 -6.271) 7.976 9.324 ( -4.106 -1.635 4.491) 6.301 9.415 ( 1.211 -3.610 -1.840) 4.229 9.507 ( 0.274 -2.031 -1.396) 2.480 9.593 ( 0.343 4.229 -0.938) 4.346 9.757 ( 4.293 4.852 5.709) 8.635 9.791 ( 3.254 -2.433 -2.351) 4.695 9.929 ( -1.567 3.813 -6.098) 7.361 9.975 ( 5.625 -1.149 6.905) 8.979 10.087 ( 1.447 -5.036 -0.492) 5.263 10.172 ( 3.902 1.952 1.453) 4.598 10.270 ( -9.938 3.215 2.687) 10.785 10.361 ( -1.859 -2.127 2.358) 3.680 10.448 ( 5.282 -1.062 0.641) 5.426 10.458 ( -3.002 -0.857 -2.541) 4.025 10.527 ( 4.233 -1.091 4.435) 6.227 10.661 ( 3.758 -2.867 3.124) 5.666 10.761 ( 5.705 -0.689 -4.074) 7.044 10.841 ( 0.351 2.184 -0.626) 2.299 10.941 ( 11.759 9.064 -5.343) 15.780 11.014 ( -1.544 1.429 4.538) 5.002 11.046 ( 2.104 7.915 -0.497) 8.205 11.176 ( 7.458 -0.334 -2.723) 7.946 11.335 ( -3.757 -4.082 1.323) 5.704 11.401 ( 5.529 -1.236 -6.169) 8.376 11.443 ( -0.224 3.971 0.817) 4.060 11.503 ( -1.527 -4.236 -3.316) 5.592 11.598 ( -8.289 -4.065 2.221) 9.496 11.716 ( -3.338 -3.996 4.139) 6.651 11.810 ( 2.262 -1.670 5.398) 6.086 11.871 ( -0.113 0.261 -2.382) 2.399 11.928 ( -0.508 1.488 -6.360) 6.551 12.037 ( -4.067 -3.520 -2.343) 5.867 12.100 ( -13.880 -6.337 0.969) 15.289 12.197 ( -3.579 3.620 -2.603) 5.718 12.338 ( -0.294 -3.607 2.342) 4.311 12.365 ( -8.011 -1.794 0.230) 8.213 12.442 ( -2.880 -1.337 0.138) 3.178 12.568 ( -3.157 -0.697 2.885) 4.334 12.605 ( -2.494 -0.933 0.451) 2.701 12.662 ( -7.963 3.442 2.245) 8.961 12.768 ( -13.794 -7.729 -2.730) 16.046 12.980 ( -5.337 -1.040 8.416) 10.020 13.024 ( -10.337 -2.364 -2.532) 10.902 13.107 ( -5.862 -1.615 -1.286) 6.215 13.249 ( -3.738 3.915 -2.544) 5.981 13.299 ( -4.788 -6.485 -9.617) 12.548 13.338 ( -2.115 -2.848 -2.715) 4.467 13.553 ( -3.160 3.598 1.340) 4.973 13.607 ( -3.584 -1.111 1.328) 3.980 13.672 ( -1.412 4.828 -7.347) 8.904 13.797 ( -4.377 -1.026 -7.390) 8.650 14.438 ( 10.068 -0.128 2.846) 10.463 14.475 ( 6.303 0.162 0.372) 6.316 14.572 ( 4.886 -0.798 -0.005) 4.951 14.582 ( 1.673 -5.636 4.773) 7.573 14.838 ( -4.220 -5.273 1.423) 6.902 14.959 ( 0.351 -8.664 0.271) 8.675 15.148 ( -3.687 1.136 -3.587) 5.268 15.209 ( -3.789 2.233 -2.907) 5.272 15.278 ( -7.133 5.732 -1.838) 9.334 15.356 ( -5.841 6.083 -3.642) 9.186 15.815 ( 5.088 7.297 2.854) 9.343 15.970 ( 2.039 12.507 -0.541) 12.683 16.228 ( 5.763 -1.004 6.002) 8.381 16.370 ( 4.677 3.190 -0.744) 5.710 16.696 ( -1.578 -3.004 5.939) 6.840 16.823 ( 0.893 1.196 -4.600) 4.836 17.014 ( 7.059 -9.767 7.813) 14.362 17.092 ( 7.183 -4.833 0.489) 8.671 18.023 ( 3.926 -0.316 5.139) 6.474 18.144 ( 5.046 -3.357 -0.249) 6.066 18.282 ( 5.259 3.737 -1.598) 6.647 18.354 ( 5.718 2.071 -3.578) 7.056 21.024 ( -0.787 1.894 0.169) 2.058 21.115 ( -1.644 1.591 -0.493) 2.340 21.424 ( -9.752 -7.290 -7.511) 14.306 21.456 ( -6.745 -4.061 -3.042) 8.440 22.141 ( -1.743 4.957 6.329) 8.226 22.255 ( 2.108 2.451 -5.093) 6.032 22.537 ( -4.068 -2.091 5.272) 6.980 22.641 ( -1.126 -5.314 0.762) 5.486 22.877 ( -1.852 8.649 -9.015) 12.630 22.888 ( -2.585 8.503 -4.441) 9.935 23.295 ( 1.956 1.586 5.924) 6.437 23.430 ( 0.016 5.767 3.923) 6.975 23.605 ( 2.813 -4.030 4.932) 6.963 23.800 ( -3.148 2.155 0.794) 3.897 23.968 ( 2.024 -4.954 1.616) 5.590 24.081 ( -2.712 -0.996 1.895) 3.455 24.196 ( 8.316 2.126 -1.639) 8.739 24.595 ( -7.126 -6.032 -7.594) 12.034 24.740 ( 3.532 -1.064 2.142) 4.266 24.889 ( 1.204 -5.443 -2.174) 5.984 25.065 ( 10.981 0.567 12.192) 16.418 25.417 ( 8.514 -8.188 -4.052) 12.488 26.233 ( 14.205 10.960 5.111) 18.655 26.420 ( 10.953 6.743 1.015) 12.903 26.785 ( -3.336 0.382 0.372) 3.378 26.835 ( -4.836 -0.292 0.342) 4.857 26.876 ( -2.256 -0.350 -1.069) 2.521 27.029 ( -2.113 -1.631 -4.009) 4.816 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -2.196 11.150 7.341) 13.529 1.410 ( 2.732 8.113 5.582) 10.220 1.514 ( 4.282 -0.132 -5.040) 6.615 1.540 ( -2.922 -1.430 -3.899) 5.078 1.872 ( -0.092 -2.742 0.914) 2.892 1.911 ( -1.019 -4.703 -2.799) 5.568 2.138 ( 2.418 -1.325 1.670) 3.224 2.153 ( 1.074 -2.418 0.678) 2.731 2.248 ( 1.476 -0.558 2.608) 3.048 2.289 ( -1.531 -3.641 -1.307) 4.161 2.450 ( -0.657 3.107 -0.752) 3.264 2.457 ( -1.745 1.843 -1.540) 2.969 2.568 ( -0.481 2.988 2.770) 4.103 2.601 ( 1.659 -0.266 -0.088) 1.683 2.725 ( -1.093 11.699 2.539) 12.021 2.750 ( 1.871 9.229 -0.825) 9.453 2.873 ( -2.410 3.193 9.648) 10.445 2.892 ( 3.973 -2.149 -0.143) 4.519 2.905 ( -2.220 5.426 2.491) 6.370 2.937 ( 1.330 -1.133 0.235) 1.763 2.962 ( -1.294 9.456 5.548) 11.040 3.099 ( 1.087 5.624 -2.106) 6.103 3.177 ( -2.124 -2.232 2.799) 4.163 3.211 ( -0.421 -2.078 -1.820) 2.794 3.272 ( 2.048 4.156 1.488) 4.866 3.294 ( -1.957 0.195 -1.293) 2.354 3.362 ( 4.585 -2.931 3.433) 6.434 3.422 ( -0.004 -4.013 0.990) 4.133 3.429 ( -3.612 -7.649 -0.328) 8.465 3.462 ( -0.297 -3.827 -1.620) 4.166 3.547 ( -2.040 -1.037 -0.230) 2.300 3.645 ( 2.333 11.152 -12.048) 16.582 3.686 ( -0.877 -15.733 8.429) 17.870 3.794 ( 1.967 -2.727 -3.050) 4.539 3.955 ( -0.958 -1.346 0.518) 1.732 4.020 ( -0.132 -2.782 -2.039) 3.451 4.115 ( -4.597 1.791 4.733) 6.837 4.189 ( -0.610 -1.808 -0.896) 2.108 4.282 ( 0.529 -0.315 -4.514) 4.556 4.344 ( 5.139 -5.255 -8.406) 11.167 4.562 ( -0.087 3.887 3.805) 5.440 4.610 ( -0.785 -0.452 -0.666) 1.124 4.795 ( 1.093 -0.117 0.380) 1.163 4.821 ( -0.302 -2.155 -2.274) 3.148 5.042 ( 4.184 2.240 1.522) 4.984 5.075 ( 0.396 -1.147 -0.874) 1.495 5.129 ( -1.110 4.756 -0.066) 4.884 5.177 ( -5.127 0.406 -3.825) 6.409 5.258 ( -1.285 -2.380 1.618) 3.151 5.273 ( 5.161 -3.757 0.372) 6.394 5.505 ( 0.534 6.791 1.359) 6.946 5.548 ( -1.276 4.360 -2.376) 5.127 5.741 ( -0.012 -5.225 1.032) 5.326 5.753 ( -0.209 -5.047 0.136) 5.053 5.966 ( 1.188 -0.756 2.548) 2.911 5.976 ( -0.547 -1.607 1.534) 2.288 6.459 ( -0.054 1.346 5.017) 5.195 6.503 ( 1.243 -3.826 3.589) 5.391 6.534 ( 0.108 2.419 -3.203) 4.015 6.575 ( -0.502 -1.913 -4.035) 4.494 7.037 ( 2.765 6.420 0.422) 7.003 7.094 ( -4.266 4.504 -4.974) 7.952 7.187 ( 0.052 -4.664 -0.399) 4.681 7.233 ( -0.370 -5.133 -5.014) 7.185 7.622 ( 1.126 1.906 2.213) 3.130 7.647 ( -1.964 -0.042 -0.349) 1.995 7.875 ( -4.968 2.082 1.718) 5.654 7.898 ( -2.533 0.131 -0.704) 2.632 8.188 ( 3.070 8.921 12.054) 15.307 8.356 ( -9.180 -7.708 8.382) 14.627 8.407 ( 2.574 5.479 -6.535) 8.908 8.493 ( 13.497 -2.400 -6.424) 15.139 8.703 ( -0.837 3.555 5.137) 6.303 8.785 ( -7.863 -2.237 -2.789) 8.638 8.919 ( -0.996 4.986 1.449) 5.287 8.981 ( -2.156 6.322 -3.394) 7.492 9.054 ( 1.004 1.138 -0.286) 1.545 9.081 ( -4.298 -3.875 -1.486) 5.975 9.184 ( -3.591 -4.608 2.484) 6.348 9.231 ( 7.953 -7.244 -1.953) 10.933 9.405 ( -1.487 0.787 -1.003) 1.959 9.408 ( 0.605 0.785 -1.607) 1.888 9.663 ( -2.173 1.340 -0.117) 2.556 9.700 ( 2.108 -2.456 -3.315) 4.634 9.956 ( 5.154 3.768 1.974) 6.683 9.975 ( 2.638 2.112 0.252) 3.389 10.113 ( 3.749 -0.806 4.051) 5.578 10.138 ( 0.042 -0.952 1.249) 1.571 10.206 ( -3.159 8.591 -0.631) 9.175 10.251 ( 2.102 3.375 -3.791) 5.493 10.310 ( 0.699 0.209 3.268) 3.349 10.357 ( -0.299 -1.520 -0.790) 1.739 10.616 ( -3.036 3.404 5.225) 6.936 10.674 ( -3.955 -2.030 1.917) 4.841 10.700 ( -0.855 4.367 3.352) 5.571 10.785 ( 4.492 -0.178 -2.727) 5.258 10.903 ( 3.569 -0.390 0.219) 3.597 10.939 ( -6.350 -7.287 -1.529) 9.786 11.004 ( -3.761 -2.394 10.025) 10.971 11.167 ( -2.708 -2.729 -3.398) 5.131 11.192 ( -7.884 0.686 1.115) 7.992 11.279 ( 4.089 -5.943 -5.489) 9.065 11.401 ( 7.175 -2.877 1.345) 7.847 11.413 ( 5.233 -2.122 -0.040) 5.647 11.482 ( -1.461 2.580 -2.177) 3.678 11.546 ( -1.661 -3.905 -5.357) 6.834 11.558 ( -2.657 1.815 -2.347) 3.983 11.582 ( 1.259 -0.175 -5.108) 5.264 11.775 ( 2.627 3.521 6.625) 7.949 11.863 ( 2.634 -0.978 1.925) 3.406 11.971 ( -3.544 -0.874 -3.823) 5.286 12.023 ( -6.270 -3.628 -4.891) 8.740 12.234 ( 8.900 5.489 4.211) 11.273 12.283 ( -1.430 1.062 0.110) 1.784 12.359 ( 5.245 -1.204 0.504) 5.404 12.374 ( -3.845 -1.686 0.045) 4.199 12.497 ( 0.654 2.912 1.348) 3.275 12.531 ( 1.847 1.248 -1.820) 2.878 12.649 ( 3.993 -0.021 0.458) 4.019 12.699 ( -5.845 -1.373 -4.413) 7.452 12.763 ( 1.569 -1.176 5.016) 5.386 12.848 ( -2.686 -6.586 -3.592) 7.968 13.115 ( -2.047 3.061 3.182) 4.867 13.162 ( -0.026 -1.203 -3.170) 3.391 13.202 ( -1.245 -1.266 2.282) 2.891 13.237 ( -0.113 -1.361 0.522) 1.462 13.421 ( -0.089 -1.223 -1.306) 1.792 13.531 ( 0.605 -9.184 -9.333) 13.108 13.832 ( 1.782 11.717 0.621) 11.868 13.871 ( 1.205 8.691 -2.637) 9.161 14.394 ( -3.084 -5.877 2.928) 7.255 14.436 ( 2.091 -9.172 -0.773) 9.439 14.643 ( 2.675 2.956 0.835) 4.073 14.670 ( 2.107 0.128 -1.206) 2.431 14.867 ( 3.043 0.233 3.250) 4.458 14.893 ( 0.582 -2.332 0.761) 2.521 15.116 ( 1.718 2.195 2.557) 3.783 15.148 ( -0.751 -0.448 1.708) 1.919 15.215 ( -3.089 3.340 -5.364) 7.033 15.273 ( -3.905 -1.512 -7.905) 8.946 16.132 ( 1.840 10.416 5.518) 11.930 16.202 ( -1.182 7.546 -0.836) 7.684 16.338 ( 0.980 0.064 3.588) 3.720 16.396 ( -1.820 -2.794 -1.608) 3.702 16.690 ( -1.940 2.469 8.673) 9.224 16.801 ( -0.001 -5.161 -0.115) 5.162 16.953 ( -0.423 -1.695 3.820) 4.200 17.038 ( 1.409 -7.204 -3.180) 8.000 18.111 ( -0.209 1.441 3.982) 4.240 18.146 ( 0.065 -2.066 1.081) 2.333 18.392 ( 0.147 2.139 -2.051) 2.967 18.412 ( 0.120 0.108 -3.536) 3.540 21.094 ( 1.848 2.909 1.279) 3.676 21.126 ( 0.408 0.972 -1.697) 1.997 21.229 ( -1.029 -1.219 0.414) 1.648 21.264 ( -2.454 -3.649 -2.941) 5.290 22.251 ( -2.335 5.814 5.513) 8.345 22.324 ( 0.977 0.462 -0.719) 1.298 22.468 ( -0.884 -0.653 2.835) 3.040 22.528 ( 2.639 -4.869 -2.011) 5.892 22.958 ( -0.990 4.866 -2.417) 5.523 22.972 ( -0.453 4.001 -3.904) 5.608 23.452 ( 1.882 4.333 5.337) 7.127 23.494 ( -0.425 1.058 0.843) 1.418 23.678 ( 3.193 2.254 7.169) 8.165 23.766 ( 0.371 -1.687 2.251) 2.837 23.921 ( 0.016 -2.833 0.217) 2.841 23.999 ( -3.265 -5.563 -3.464) 7.322 24.296 ( 2.150 0.952 -3.392) 4.128 24.327 ( -1.716 -2.601 -6.232) 6.968 24.744 ( 0.148 -1.419 0.600) 1.548 24.765 ( -0.926 -3.579 -1.459) 3.974 25.263 ( 1.425 0.302 2.281) 2.706 25.318 ( -1.105 -4.858 -3.464) 6.068 26.564 ( -0.220 3.659 1.931) 4.143 26.593 ( 2.424 0.505 -1.186) 2.745 26.765 ( 0.316 0.203 0.513) 0.636 26.769 ( -0.514 -0.266 0.092) 0.586 26.916 ( -0.417 3.145 1.750) 3.624 26.962 ( -0.589 -0.804 -2.968) 3.131 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 5.301 10.225 0.419) 11.525 1.511 ( 5.116 5.563 -3.201) 8.208 1.562 ( 6.804 1.659 2.061) 7.300 1.695 ( 13.314 -3.049 -2.210) 13.836 1.926 ( 5.880 0.151 0.157) 5.884 1.944 ( 6.116 -2.466 1.704) 6.811 2.149 ( -0.573 -0.470 -3.427) 3.506 2.199 ( 3.043 -1.272 -1.710) 3.715 2.253 ( -1.450 -1.743 -1.207) 2.569 2.311 ( 1.444 -3.769 2.007) 4.507 2.416 ( -0.275 3.045 1.510) 3.410 2.480 ( 1.163 -3.150 1.779) 3.800 2.579 ( 0.317 8.489 0.587) 8.515 2.643 ( 3.688 1.129 -1.527) 4.148 2.659 ( -1.383 2.355 -1.294) 3.023 2.795 ( -2.319 -2.685 0.628) 3.603 2.861 ( 1.940 4.079 -0.351) 4.531 2.897 ( -1.532 0.955 1.261) 2.202 2.944 ( 2.183 3.051 -0.202) 3.757 2.978 ( -5.797 5.915 4.142) 9.260 3.024 ( -5.334 0.762 -0.655) 5.428 3.057 ( 4.871 -4.598 1.271) 6.817 3.141 ( 0.802 5.607 -1.959) 5.994 3.178 ( -3.603 3.820 2.269) 5.720 3.244 ( 3.204 5.076 4.946) 7.778 3.317 ( -2.703 -0.276 -1.376) 3.046 3.367 ( -1.924 -4.253 -1.116) 4.799 3.393 ( 5.092 0.827 3.553) 6.264 3.483 ( 2.231 -3.207 -4.328) 5.831 3.538 ( 6.785 -6.022 1.336) 9.170 3.545 ( 2.452 2.646 0.025) 3.608 3.662 ( 4.314 8.887 -5.593) 11.352 3.763 ( 3.556 -10.837 4.352) 12.208 3.810 ( 2.551 -1.583 -3.203) 4.390 3.969 ( 0.311 -1.817 2.911) 3.445 4.037 ( 0.574 -7.132 -4.895) 8.669 4.124 ( 2.184 2.245 5.647) 6.457 4.201 ( -0.362 -3.250 3.073) 4.488 4.272 ( 0.760 3.377 -1.746) 3.877 4.395 ( 4.724 -6.663 -5.701) 9.960 4.591 ( -0.899 2.581 1.887) 3.321 4.603 ( 0.148 1.141 -0.217) 1.170 4.747 ( -4.868 0.268 -1.938) 5.246 4.787 ( -2.074 -2.721 -0.767) 3.506 4.976 ( -4.007 3.649 -3.074) 6.231 5.012 ( -4.870 0.543 1.891) 5.253 5.107 ( -1.974 3.452 -1.064) 4.116 5.179 ( 2.069 -2.577 -0.626) 3.363 5.272 ( 3.606 0.953 -0.086) 3.731 5.337 ( -1.253 -3.641 -4.730) 6.099 5.453 ( -0.552 4.710 1.000) 4.847 5.538 ( -0.292 -1.785 2.002) 2.698 5.718 ( 0.728 0.819 -0.702) 1.301 5.792 ( 0.603 -5.041 0.620) 5.115 6.004 ( 3.729 0.748 0.064) 3.804 6.037 ( 3.597 -2.479 0.885) 4.457 6.451 ( -3.847 1.397 0.381) 4.110 6.472 ( -5.298 -0.279 -3.290) 6.242 6.490 ( -0.584 3.467 0.734) 3.592 6.557 ( 0.293 -3.427 1.430) 3.725 6.849 ( -7.569 5.477 0.621) 9.363 6.967 ( -9.135 -6.072 2.629) 11.280 7.190 ( 0.178 7.102 -1.965) 7.371 7.299 ( -2.040 -3.022 -1.574) 3.971 7.691 ( 1.442 7.083 -0.677) 7.260 7.812 ( 8.980 -4.953 1.752) 10.404 7.911 ( -4.717 2.478 11.472) 12.649 7.945 ( -13.369 -1.223 4.854) 14.275 7.975 ( 3.461 4.837 -1.257) 6.079 8.087 ( -3.161 -5.412 -1.144) 6.371 8.436 ( 2.850 6.790 -5.250) 9.044 8.559 ( -1.958 -4.067 -7.853) 9.058 8.680 ( 1.822 9.913 5.511) 11.488 8.862 ( -0.946 -4.176 2.706) 5.065 8.915 ( -1.466 -2.016 5.183) 5.751 8.955 ( -0.086 2.161 0.046) 2.164 8.984 ( -0.703 -2.373 6.750) 7.190 9.096 ( -1.929 -3.365 -3.599) 5.292 9.128 ( 3.330 6.260 4.182) 8.232 9.291 ( -0.197 -5.147 -0.804) 5.213 9.359 ( -1.445 -1.645 1.587) 2.704 9.403 ( -0.050 -3.649 -0.757) 3.727 9.690 ( 0.703 4.316 -0.372) 4.388 9.762 ( -0.334 -1.420 -0.481) 1.536 9.964 ( 0.117 3.072 -6.342) 7.048 9.999 ( 0.825 2.581 -6.732) 7.256 10.078 ( -2.326 2.527 -0.340) 3.451 10.117 ( -3.216 5.515 -5.035) 8.131 10.185 ( 1.722 -0.669 4.348) 4.724 10.305 ( -1.213 -4.569 -0.090) 4.728 10.387 ( -0.559 3.049 -1.038) 3.269 10.416 ( 7.124 1.517 -1.594) 7.457 10.438 ( -13.060 1.442 4.929) 14.033 10.506 ( -9.860 -2.082 4.239) 10.932 10.624 ( -9.303 0.102 -2.939) 9.757 10.730 ( 3.641 -3.596 3.068) 5.966 10.882 ( -6.061 3.034 5.758) 8.894 10.919 ( -5.423 -1.410 5.273) 7.694 11.050 ( 8.828 2.059 -0.724) 9.094 11.094 ( -2.657 4.395 4.158) 6.608 11.192 ( 2.747 -1.142 -0.485) 3.014 11.244 ( -5.101 -8.241 -1.095) 9.754 11.371 ( 0.912 -1.113 -9.115) 9.228 11.429 ( 0.367 -2.983 -5.100) 5.920 11.509 ( 2.202 3.569 0.073) 4.194 11.585 ( 4.584 1.789 0.249) 4.927 11.622 ( 5.726 -5.346 1.170) 7.920 11.675 ( 2.781 -5.989 2.360) 7.012 11.857 ( -0.348 2.790 -5.383) 6.073 11.939 ( -1.519 -0.204 4.155) 4.428 12.011 ( 14.046 0.010 -1.091) 14.088 12.098 ( 10.379 -3.683 4.808) 12.017 12.217 ( 2.328 5.454 -3.418) 6.845 12.300 ( 1.382 -3.077 -3.161) 4.623 12.389 ( -3.060 3.444 -1.386) 4.812 12.486 ( -2.409 -3.776 -5.572) 7.149 12.566 ( 7.309 0.259 -0.675) 7.345 12.621 ( 15.666 -2.420 1.187) 15.896 12.690 ( 3.379 5.561 -1.527) 6.684 12.780 ( 8.697 4.746 -0.479) 9.919 12.865 ( 4.254 -8.803 3.580) 10.411 12.875 ( 11.777 -4.863 1.396) 12.818 13.105 ( -0.796 1.584 2.335) 2.932 13.166 ( 0.657 -4.421 2.565) 5.153 13.231 ( 1.935 1.667 2.778) 3.773 13.244 ( 0.659 -1.208 1.454) 2.002 13.472 ( 3.979 -3.126 0.070) 5.060 13.538 ( 5.133 -7.929 -6.804) 11.641 13.851 ( 1.854 9.604 -3.130) 10.270 13.894 ( 2.468 6.968 -2.827) 7.914 14.340 ( -4.147 -0.385 2.895) 5.073 14.455 ( -0.164 -9.461 -1.421) 9.569 14.622 ( -2.153 2.533 -4.751) 5.799 14.653 ( -1.358 -0.164 -3.035) 3.329 14.858 ( -2.792 0.269 -5.256) 5.957 14.906 ( -1.786 -3.559 -3.511) 5.308 15.128 ( 3.263 3.689 1.058) 5.037 15.185 ( 3.819 -1.683 -0.047) 4.174 15.276 ( 7.755 2.515 5.738) 9.970 15.310 ( 6.089 -1.005 4.129) 7.426 16.080 ( -8.615 9.740 -2.538) 13.249 16.143 ( -4.618 6.471 2.275) 8.269 16.297 ( -6.029 0.061 -0.831) 6.086 16.343 ( -3.344 -1.425 3.261) 4.883 16.697 ( -2.710 1.203 8.254) 8.770 16.778 ( -2.059 -4.490 0.281) 4.948 16.919 ( -4.122 -0.033 1.284) 4.317 17.003 ( -2.056 -6.774 -4.745) 8.522 18.079 ( -4.919 0.755 2.884) 5.752 18.099 ( -4.483 -1.204 -0.808) 4.712 18.330 ( -5.099 1.526 -0.143) 5.325 18.339 ( -4.942 0.559 -2.301) 5.480 21.092 ( -0.234 2.939 -1.660) 3.384 21.135 ( 1.070 -0.383 -1.566) 1.935 21.271 ( 4.195 -0.350 2.620) 4.958 21.321 ( 6.328 -4.120 2.213) 7.869 22.236 ( -2.090 5.221 4.539) 7.227 22.317 ( -0.998 -1.299 -0.259) 1.658 22.503 ( 3.267 2.856 -0.362) 4.355 22.602 ( 5.521 -5.355 -3.069) 8.281 22.933 ( -0.754 5.625 0.944) 5.753 22.964 ( 0.585 2.921 0.239) 2.989 23.464 ( -1.321 4.240 -1.715) 4.761 23.511 ( 1.276 -0.032 -0.032) 1.276 23.700 ( -2.658 4.360 -5.798) 7.726 23.789 ( 1.825 -0.413 2.155) 2.854 23.905 ( -1.251 -2.213 0.501) 2.591 24.026 ( 4.721 -8.860 6.123) 11.759 24.274 ( -0.712 1.260 -4.954) 5.161 24.315 ( 1.050 -3.520 -0.964) 3.797 24.740 ( -0.529 -0.888 -0.384) 1.103 24.759 ( 0.425 -2.672 1.473) 3.081 25.194 ( -7.279 -0.619 -2.447) 7.704 25.217 ( -6.273 -3.075 2.608) 7.457 26.453 ( -11.356 6.612 -0.507) 13.151 26.528 ( -11.010 -0.417 -1.656) 11.141 26.808 ( 3.877 0.844 -0.281) 3.978 26.827 ( 5.225 -1.077 -0.125) 5.337 26.882 ( -0.470 3.017 0.936) 3.193 26.943 ( 0.185 -2.660 0.227) 2.676 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 8.096 6.913 -2.442) 10.922 1.643 ( 4.270 -4.569 0.134) 6.256 1.738 ( 12.381 12.379 2.184) 17.644 1.917 ( 9.154 -2.412 -1.526) 9.589 2.086 ( 4.098 1.659 -3.005) 5.345 2.114 ( 6.678 2.720 -1.699) 7.408 2.138 ( 0.301 -4.074 -0.123) 4.087 2.224 ( 4.326 2.981 4.833) 7.139 2.258 ( 3.715 -3.367 -2.243) 5.493 2.351 ( 0.743 -2.281 1.206) 2.685 2.443 ( 2.264 0.388 -0.679) 2.395 2.506 ( 2.770 -4.719 -1.043) 5.570 2.564 ( -1.797 6.790 -0.572) 7.047 2.636 ( 0.031 -0.555 2.273) 2.340 2.682 ( -0.853 -1.550 0.340) 1.802 2.713 ( -7.010 -3.122 -0.213) 7.677 2.786 ( -9.471 -0.350 3.383) 10.064 2.813 ( -7.065 -2.939 2.111) 7.937 2.932 ( 1.338 5.202 4.067) 6.738 3.010 ( 4.974 4.540 -1.468) 6.893 3.027 ( 3.228 -0.529 0.407) 3.296 3.047 ( -1.041 -2.864 3.998) 5.027 3.196 ( 5.763 2.104 0.963) 6.210 3.238 ( 6.807 -2.004 -2.085) 7.396 3.298 ( -1.486 -0.773 -3.215) 3.626 3.328 ( 0.994 -1.423 -3.155) 3.601 3.421 ( 7.629 1.632 3.281) 8.463 3.454 ( 1.063 -0.712 -0.567) 1.399 3.520 ( -1.771 4.170 -0.729) 4.589 3.569 ( 5.327 6.085 -5.977) 10.056 3.638 ( 4.950 0.337 -3.796) 6.247 3.769 ( 3.103 2.917 2.670) 5.027 3.818 ( 0.812 -5.214 -1.864) 5.597 3.848 ( 0.479 -3.069 0.653) 3.174 3.996 ( 2.436 2.228 1.142) 3.493 4.037 ( 1.584 -0.185 -0.413) 1.647 4.176 ( -0.544 0.119 4.667) 4.700 4.214 ( 0.761 -3.619 1.880) 4.148 4.270 ( -0.781 1.746 2.739) 3.341 4.436 ( 1.691 -8.978 -4.119) 10.022 4.515 ( -6.792 3.914 -0.764) 7.876 4.592 ( -2.501 -0.437 1.836) 3.133 4.654 ( -1.859 -0.202 2.478) 3.104 4.693 ( -5.901 -4.118 -1.037) 7.270 4.925 ( 0.041 7.025 -2.138) 7.343 4.979 ( -0.657 -0.115 6.018) 6.055 5.055 ( -3.385 3.947 0.683) 5.244 5.185 ( -2.643 -5.818 -4.493) 7.812 5.223 ( -2.263 4.029 -2.623) 5.314 5.308 ( 0.874 -3.514 -1.252) 3.832 5.534 ( 5.740 3.153 -1.810) 6.795 5.612 ( 6.278 -2.804 -1.432) 7.023 5.753 ( 4.176 2.807 -0.285) 5.040 5.821 ( 3.209 -3.246 0.233) 4.571 6.087 ( 0.222 1.355 -0.559) 1.483 6.119 ( 2.954 -1.442 2.107) 3.904 6.318 ( -4.094 3.405 -3.908) 6.605 6.360 ( -1.349 -0.720 -1.963) 2.488 6.518 ( -1.547 4.884 2.466) 5.685 6.585 ( 1.909 -1.731 3.051) 3.993 6.786 ( -1.259 2.759 2.946) 4.228 6.854 ( -3.448 -3.132 3.733) 5.969 7.097 ( -8.951 4.752 -5.142) 11.364 7.127 ( -10.554 1.519 -4.196) 11.459 7.422 ( -17.342 7.025 1.997) 18.817 7.587 ( -13.872 -4.377 3.269) 14.909 7.738 ( -4.374 4.761 -3.208) 7.217 7.920 ( -1.385 -9.542 0.819) 9.676 8.358 ( 16.706 2.615 2.631) 17.112 8.408 ( 18.038 -2.002 3.244) 18.436 8.463 ( 2.580 4.426 -1.784) 5.425 8.531 ( 2.383 -1.251 -2.367) 3.584 8.702 ( 1.394 4.588 1.347) 4.980 8.791 ( -2.821 -3.318 2.543) 5.043 8.899 ( 0.006 4.042 3.250) 5.187 9.004 ( 2.033 -2.851 1.492) 3.806 9.069 ( 1.342 -0.403 6.218) 6.374 9.085 ( 1.059 -2.707 2.463) 3.810 9.235 ( 2.555 1.222 6.924) 7.481 9.260 ( -1.068 0.511 -3.462) 3.658 9.371 ( -0.703 -3.250 6.119) 6.964 9.387 ( -1.486 -4.520 0.768) 4.820 9.616 ( -5.136 2.871 -1.208) 6.007 9.661 ( -5.927 -1.359 -4.501) 7.565 9.904 ( -2.311 1.394 -5.459) 6.090 9.922 ( -3.937 4.433 -5.680) 8.211 9.998 ( -4.773 1.753 -5.310) 7.352 10.052 ( -2.301 2.741 -3.192) 4.795 10.149 ( -11.037 2.792 2.233) 11.602 10.181 ( -4.819 0.959 3.516) 6.042 10.260 ( -9.493 -2.695 3.576) 10.496 10.334 ( -3.197 -5.778 3.365) 7.411 10.397 ( 1.919 -0.065 2.189) 2.912 10.497 ( 7.723 -7.038 2.667) 10.783 10.683 ( 3.731 8.921 1.546) 9.793 10.804 ( -2.977 0.332 2.957) 4.209 10.849 ( 2.503 0.953 -0.512) 2.727 10.875 ( 0.245 0.205 -4.466) 4.477 11.071 ( 0.298 4.597 -0.917) 4.697 11.142 ( -0.382 1.933 -1.057) 2.236 11.203 ( 4.321 5.826 1.592) 7.426 11.233 ( 1.773 -0.276 2.186) 2.828 11.329 ( -1.349 -0.614 -4.433) 4.675 11.431 ( 1.301 -7.686 -3.328) 8.476 11.566 ( 3.327 -3.000 1.400) 4.694 11.622 ( -0.807 -3.725 -3.578) 5.228 11.675 ( -1.316 -1.787 3.461) 4.112 11.717 ( 0.141 -3.047 -0.807) 3.155 11.782 ( -4.932 5.137 -0.288) 7.127 11.909 ( -1.268 -6.598 0.917) 6.781 12.150 ( 2.667 7.712 -8.183) 11.556 12.268 ( -5.225 2.152 -1.970) 5.985 12.330 ( 5.686 -1.730 -0.204) 5.947 12.367 ( 6.465 -1.596 -2.100) 6.982 12.452 ( 11.248 0.394 6.765) 13.131 12.519 ( 10.709 -5.815 3.262) 12.615 12.658 ( 7.430 4.232 -0.922) 8.600 12.741 ( 5.723 1.618 -3.152) 6.730 12.851 ( 6.517 -3.586 -0.321) 7.445 12.918 ( -0.251 -9.693 1.304) 9.783 13.061 ( 7.800 6.149 0.554) 9.948 13.152 ( 5.730 -2.344 1.543) 6.380 13.188 ( 11.555 -4.077 2.788) 12.566 13.204 ( 3.207 -5.198 4.231) 7.430 13.289 ( 4.159 3.335 2.579) 5.922 13.343 ( 5.399 -1.747 5.678) 8.027 13.531 ( 3.621 0.076 -5.423) 6.521 13.603 ( 4.456 -6.012 -5.433) 9.248 13.914 ( 6.589 5.160 -2.404) 8.707 13.934 ( 3.855 2.680 -2.641) 5.387 14.255 ( -5.395 5.722 1.738) 8.054 14.390 ( -4.886 -6.815 -2.284) 8.691 14.566 ( -0.150 2.814 -5.296) 5.999 14.616 ( 0.795 0.369 -3.416) 3.527 14.737 ( -5.175 -3.130 -6.312) 8.741 14.816 ( -1.972 -7.459 -3.218) 8.359 15.241 ( 5.260 3.276 0.391) 6.209 15.290 ( 3.167 -1.833 0.650) 3.717 15.495 ( 9.048 3.341 7.665) 12.320 15.516 ( 11.609 0.469 5.702) 12.942 15.835 ( -12.165 8.315 -4.099) 15.295 15.971 ( -11.207 -3.764 -3.128) 12.229 16.173 ( -6.381 6.645 1.246) 9.297 16.254 ( -7.155 -0.378 2.667) 7.646 16.692 ( -3.260 -0.870 8.463) 9.111 16.728 ( -4.701 -3.791 5.820) 8.387 16.843 ( -1.440 2.786 -4.253) 5.285 16.918 ( -2.141 -4.692 -6.529) 8.320 17.972 ( -6.386 0.356 1.474) 6.564 17.982 ( -5.390 -0.569 -2.073) 5.803 18.212 ( -6.000 1.176 0.476) 6.133 18.216 ( -5.516 0.726 -0.612) 5.597 21.106 ( 2.015 2.903 0.095) 3.535 21.159 ( 1.983 -1.696 -0.374) 2.636 21.398 ( 5.013 0.442 4.745) 6.917 21.470 ( 6.339 -5.811 1.939) 8.815 22.234 ( -0.843 4.792 4.172) 6.410 22.303 ( 0.129 -1.115 -0.091) 1.126 22.565 ( 2.810 3.513 -1.746) 4.825 22.667 ( 2.819 -5.446 -5.846) 8.472 22.952 ( 0.786 5.805 5.568) 8.083 22.996 ( 1.420 1.935 3.607) 4.332 23.401 ( -2.056 4.281 -7.097) 8.539 23.486 ( -1.562 -4.679 -7.564) 9.030 23.646 ( 0.263 6.214 -2.169) 6.587 23.784 ( 1.754 -7.966 -1.212) 8.246 23.983 ( 0.794 9.991 9.376) 13.724 24.138 ( 4.020 0.465 -1.829) 4.440 24.206 ( -0.744 -2.143 -7.989) 8.305 24.304 ( -3.782 -13.087 5.052) 14.529 24.730 ( -1.019 1.887 -0.092) 2.147 24.774 ( -0.758 -2.506 1.671) 3.106 25.089 ( 0.254 1.961 -1.025) 2.228 25.132 ( -1.393 -2.303 2.208) 3.481 26.121 ( -19.190 6.404 -1.633) 20.296 26.177 ( -20.494 1.151 -0.688) 20.538 26.884 ( 3.413 0.908 -0.463) 3.562 26.900 ( 2.334 -0.584 0.550) 2.468 26.956 ( 5.231 -0.323 -0.483) 5.263 26.981 ( 2.712 -2.514 0.748) 3.773 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 8.332 2.593 3.328) 9.339 1.751 ( 5.819 -2.035 3.836) 7.260 1.957 ( 1.980 5.988 1.887) 6.583 2.035 ( -0.766 -2.873 4.453) 5.355 2.069 ( 1.283 3.940 -4.943) 6.450 2.114 ( 2.133 1.569 -0.914) 2.801 2.224 ( 0.619 -0.538 -0.054) 0.822 2.260 ( -4.840 -4.623 -2.975) 7.325 2.321 ( 6.761 2.507 -5.026) 8.790 2.342 ( 6.516 -0.024 -1.383) 6.661 2.478 ( -8.799 5.214 1.876) 10.398 2.517 ( -5.033 -0.027 -1.519) 5.257 2.579 ( -0.782 0.866 3.273) 3.475 2.597 ( 0.463 -0.931 -0.282) 1.077 2.657 ( 0.568 -2.891 4.163) 5.101 2.709 ( 0.682 -1.674 3.837) 4.242 2.743 ( 7.192 -3.974 2.459) 8.577 2.765 ( 3.951 -2.992 3.878) 6.293 2.918 ( -1.954 4.664 3.842) 6.351 3.008 ( -1.393 -2.559 -0.855) 3.036 3.115 ( -0.302 -0.615 2.743) 2.827 3.132 ( -1.623 -3.001 5.715) 6.656 3.246 ( 1.985 4.245 -5.729) 7.401 3.300 ( 2.467 0.651 1.264) 2.848 3.318 ( 2.457 -0.282 -1.018) 2.674 3.339 ( 3.482 -4.887 -5.575) 8.190 3.419 ( -3.521 3.544 -5.774) 7.635 3.471 ( -1.129 -0.333 -4.627) 4.774 3.571 ( 4.163 1.447 -1.843) 4.777 3.622 ( 7.749 -2.801 1.194) 8.325 3.686 ( -6.722 2.517 2.128) 7.486 3.741 ( -2.118 -2.225 -2.870) 4.204 3.849 ( 4.030 2.989 1.518) 5.242 3.864 ( -0.869 0.783 5.370) 5.495 4.010 ( -1.335 3.477 -1.034) 3.865 4.050 ( 1.645 -0.882 -2.553) 3.163 4.196 ( -0.054 5.721 -2.841) 6.388 4.221 ( -2.723 2.128 0.410) 3.480 4.313 ( 1.654 -1.389 3.833) 4.399 4.386 ( -2.626 -0.722 0.277) 2.737 4.421 ( -0.015 -3.400 -1.728) 3.814 4.502 ( -2.970 -5.535 -1.372) 6.430 4.659 ( 1.203 0.701 3.087) 3.387 4.695 ( 1.432 -2.967 5.368) 6.298 4.921 ( 0.218 6.864 -1.676) 7.069 4.980 ( -4.516 0.999 2.582) 5.297 5.010 ( -0.914 -1.108 0.342) 1.476 5.086 ( -1.070 -6.163 -4.915) 7.956 5.252 ( 5.550 4.641 4.097) 8.315 5.344 ( 2.632 -3.673 4.447) 6.339 5.592 ( 1.491 6.108 -5.236) 8.182 5.690 ( 0.898 -2.694 -4.856) 5.626 5.856 ( 3.643 3.649 -1.133) 5.279 5.892 ( 2.047 -0.309 -2.245) 3.054 6.000 ( -3.926 1.451 -1.686) 4.513 6.037 ( -6.014 -1.491 -1.220) 6.315 6.338 ( -1.133 4.420 3.442) 5.715 6.375 ( 3.602 3.444 2.736) 5.685 6.498 ( -1.097 3.888 -0.896) 4.138 6.616 ( -1.023 -5.356 -1.425) 5.636 6.775 ( -0.403 5.795 1.056) 5.904 6.856 ( -5.434 4.539 -3.029) 7.701 6.875 ( 0.190 -3.890 3.919) 5.526 6.955 ( -1.499 -4.655 -4.439) 6.605 7.264 ( -2.058 11.469 6.149) 13.175 7.449 ( -2.941 1.100 -0.237) 3.149 7.639 ( -1.312 -0.694 -2.487) 2.896 7.818 ( -6.640 -11.349 -4.190) 13.801 8.473 ( 1.557 4.284 0.115) 4.559 8.512 ( -0.013 0.199 -1.454) 1.467 8.601 ( 2.372 -1.641 -0.215) 2.892 8.608 ( 2.192 -1.678 -1.348) 3.072 8.827 ( 6.281 4.056 1.990) 7.737 8.896 ( 7.279 -0.932 3.470) 8.117 8.980 ( 3.366 1.610 5.829) 6.921 9.037 ( 1.605 -3.279 1.089) 3.810 9.076 ( -3.269 1.105 -0.285) 3.463 9.096 ( -2.774 -2.079 3.889) 5.209 9.276 ( 4.812 4.747 1.522) 6.929 9.291 ( -2.453 1.511 7.733) 8.252 9.354 ( -0.848 -2.610 0.307) 2.761 9.397 ( -1.817 -5.591 8.284) 10.157 9.497 ( -4.345 0.981 -4.849) 6.585 9.573 ( 1.185 -4.612 -2.818) 5.533 9.810 ( -3.550 4.593 -2.105) 6.175 9.828 ( -3.461 1.791 -0.268) 3.906 9.882 ( -3.458 -1.823 -3.077) 4.975 9.935 ( -2.235 -4.927 -7.897) 9.573 10.027 ( -3.720 5.095 3.939) 7.437 10.127 ( -2.355 -2.879 7.112) 8.026 10.162 ( -1.568 5.490 -0.480) 5.730 10.319 ( 0.033 -7.315 -2.603) 7.764 10.515 ( 3.562 6.393 9.789) 12.222 10.656 ( 4.137 -1.955 2.249) 5.099 10.697 ( -0.035 2.639 1.736) 3.159 10.782 ( -0.113 3.284 -5.404) 6.325 10.832 ( -2.754 -3.657 1.169) 4.725 10.858 ( 2.073 -3.087 -1.713) 4.094 11.064 ( -1.954 8.005 -4.174) 9.236 11.126 ( -1.497 3.121 -6.946) 7.761 11.233 ( 2.394 6.748 1.462) 7.308 11.332 ( 4.331 1.499 2.961) 5.456 11.372 ( -0.114 -5.461 4.251) 6.921 11.411 ( 4.386 -0.736 -2.342) 5.026 11.587 ( -2.107 -2.689 -1.891) 3.905 11.603 ( -4.853 -0.270 -0.804) 4.927 11.629 ( 0.900 -0.109 -1.004) 1.353 11.679 ( 0.106 -3.318 -2.931) 4.428 11.736 ( 1.451 0.798 -0.927) 1.898 11.833 ( -5.843 -8.349 -2.305) 10.448 12.133 ( -0.577 2.374 -0.807) 2.573 12.148 ( -4.392 1.772 0.942) 4.829 12.421 ( 4.482 2.513 -2.239) 5.606 12.456 ( 3.060 1.269 -3.601) 4.893 12.614 ( 3.016 -1.934 4.847) 6.028 12.739 ( 2.718 -6.539 4.397) 8.335 12.799 ( 3.496 0.867 1.199) 3.796 12.893 ( 2.485 -6.678 4.716) 8.544 12.936 ( 5.975 0.014 -1.367) 6.129 12.965 ( 7.490 -3.750 0.522) 8.392 13.108 ( -1.624 1.256 0.267) 2.070 13.175 ( -0.938 -5.488 -1.414) 5.744 13.306 ( -0.472 -0.738 3.882) 3.979 13.332 ( 2.511 -2.861 3.038) 4.870 13.387 ( 2.255 6.344 0.089) 6.733 13.475 ( 4.802 -0.985 3.075) 5.787 13.583 ( 3.822 2.145 -6.745) 8.044 13.641 ( 2.011 -2.337 -5.272) 6.107 14.017 ( 4.132 4.510 -0.095) 6.117 14.062 ( 8.180 2.485 -2.467) 8.898 14.187 ( -0.317 5.242 -1.147) 5.375 14.276 ( -4.001 -4.286 -1.254) 5.996 14.546 ( 1.544 0.895 -5.718) 5.990 14.576 ( -4.174 3.796 -4.294) 7.091 14.680 ( 5.417 -7.667 -3.044) 9.868 14.764 ( -4.338 -8.952 0.747) 9.976 15.294 ( -1.400 1.157 1.526) 2.372 15.318 ( 1.257 -0.830 0.240) 1.525 15.589 ( -4.688 6.352 -2.505) 8.282 15.707 ( -9.516 -3.833 -3.427) 10.816 15.751 ( 7.494 1.986 5.001) 9.225 15.796 ( 9.949 -0.886 2.797) 10.373 16.054 ( -5.173 5.450 0.685) 7.545 16.107 ( -7.800 0.200 0.935) 7.859 16.654 ( -6.188 0.756 11.418) 13.009 16.694 ( -3.266 -3.058 7.631) 8.846 16.819 ( 2.293 1.100 -6.485) 6.966 16.855 ( 0.830 -2.300 -7.774) 8.149 17.871 ( -3.896 0.922 1.299) 4.209 17.888 ( -2.237 -0.618 -1.545) 2.788 18.124 ( -2.553 1.383 0.469) 2.941 18.133 ( -1.585 0.455 -1.082) 1.973 21.157 ( 1.942 2.541 1.328) 3.463 21.194 ( 1.147 -0.547 -0.333) 1.314 21.508 ( 2.152 -0.964 5.497) 5.982 21.577 ( 3.071 -7.115 0.444) 7.762 22.257 ( 0.097 5.061 4.755) 6.945 22.321 ( 1.209 -0.476 0.298) 1.333 22.577 ( -0.201 1.213 -2.046) 2.387 22.640 ( -0.914 -4.085 -5.904) 7.238 23.022 ( 1.742 5.702 6.047) 8.492 23.066 ( 2.567 2.348 4.126) 5.397 23.310 ( -1.925 1.665 -6.491) 6.972 23.390 ( -1.818 -6.109 -9.103) 11.113 23.680 ( 3.579 10.179 0.715) 10.813 23.830 ( -1.719 -1.355 0.620) 2.275 23.947 ( -2.492 4.191 1.608) 5.134 24.092 ( -4.747 -3.425 -5.161) 7.804 24.257 ( 6.130 -2.630 -2.006) 6.966 24.287 ( 0.297 -7.260 3.646) 8.130 24.696 ( -1.648 0.480 0.778) 1.885 24.738 ( -2.050 -3.368 -0.645) 3.995 25.191 ( 7.181 2.884 1.033) 7.807 25.212 ( 4.742 0.966 2.526) 5.459 25.757 ( -12.619 3.932 -1.267) 13.278 25.786 ( -14.828 1.262 -0.830) 14.905 26.934 ( 1.478 0.002 0.074) 1.480 26.938 ( 0.830 -0.417 0.377) 1.003 27.027 ( 1.184 -0.822 0.535) 1.538 27.033 ( 2.296 -1.336 -0.855) 2.790 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -7.607 2.851 -3.678) 8.917 1.825 ( -1.538 -0.520 -0.306) 1.652 1.915 ( -5.317 5.006 0.843) 7.351 1.968 ( 1.310 2.839 5.954) 6.725 2.065 ( -6.310 -0.631 4.459) 7.752 2.127 ( -4.165 -2.530 -1.749) 5.178 2.149 ( -6.626 0.048 5.290) 8.478 2.205 ( 2.323 -1.912 3.043) 4.279 2.284 ( -2.825 2.381 -2.536) 4.482 2.350 ( -5.196 -4.726 -2.707) 7.527 2.492 ( -1.089 4.676 0.099) 4.802 2.526 ( 9.326 1.241 -2.228) 9.668 2.584 ( 8.708 0.482 -0.004) 8.721 2.654 ( 1.641 -2.635 -2.747) 4.145 2.712 ( 0.672 -2.097 -1.005) 2.421 2.717 ( 3.395 -2.823 0.553) 4.450 2.808 ( -6.106 0.813 -2.338) 6.589 2.857 ( -3.074 -2.794 -3.003) 5.125 2.939 ( 1.141 1.795 4.477) 4.957 2.948 ( 0.139 0.243 0.708) 0.762 3.073 ( -1.587 2.719 8.333) 8.907 3.162 ( -5.062 -4.401 7.265) 9.888 3.213 ( 1.945 5.638 -2.690) 6.542 3.294 ( -2.403 -1.170 -5.073) 5.734 3.324 ( -4.237 2.244 -0.550) 4.826 3.348 ( -0.284 -0.867 0.092) 0.917 3.386 ( 1.697 -2.371 -4.634) 5.475 3.418 ( 2.211 -3.659 -4.150) 5.958 3.501 ( -8.212 3.502 4.118) 9.832 3.554 ( -7.916 -1.388 4.934) 9.430 3.741 ( 7.801 1.415 -2.697) 8.375 3.780 ( -1.148 1.849 -2.749) 3.506 3.831 ( 0.898 -0.225 2.801) 2.950 3.906 ( -2.984 -2.952 3.100) 5.218 4.022 ( -2.218 2.469 -1.967) 3.858 4.038 ( -0.672 3.971 -2.550) 4.767 4.130 ( 2.334 2.821 3.155) 4.834 4.189 ( -0.034 0.999 2.512) 2.703 4.369 ( 0.617 -4.200 2.817) 5.095 4.375 ( 2.035 -2.281 -3.019) 4.296 4.434 ( 1.460 2.746 -1.955) 3.673 4.525 ( 4.493 -3.329 -3.214) 6.450 4.693 ( -1.234 0.586 1.490) 2.022 4.735 ( 1.505 -4.225 0.405) 4.503 4.915 ( 0.480 1.710 0.844) 1.966 4.968 ( 1.279 -2.646 4.849) 5.670 5.017 ( 3.752 2.582 -4.561) 6.445 5.069 ( 2.995 -2.659 -5.504) 6.807 5.356 ( -4.108 4.639 -2.369) 6.634 5.420 ( 3.221 -0.825 1.223) 3.543 5.534 ( -7.672 3.964 -1.537) 8.771 5.592 ( -0.419 -0.298 3.438) 3.476 5.838 ( -3.042 2.034 0.594) 3.707 5.868 ( -3.071 -0.638 -1.747) 3.590 5.995 ( 3.485 1.998 -1.751) 4.382 6.037 ( 6.612 -1.245 -1.209) 6.836 6.354 ( -2.548 6.997 3.490) 8.224 6.412 ( -0.349 5.124 -1.935) 5.488 6.499 ( -3.819 -1.777 0.280) 4.221 6.563 ( 4.726 -4.728 2.444) 7.118 6.764 ( 1.518 3.475 1.362) 4.029 6.830 ( -0.527 -1.432 1.502) 2.141 6.890 ( 3.080 2.445 -0.479) 3.962 6.971 ( 1.134 -4.051 -4.422) 6.104 7.387 ( 9.302 15.000 4.064) 18.112 7.420 ( 3.920 10.621 -7.499) 13.580 7.670 ( -3.226 -9.214 -5.128) 11.028 7.731 ( 8.784 -13.664 4.507) 16.858 8.465 ( -3.794 2.493 1.050) 4.660 8.487 ( -1.685 1.027 1.016) 2.219 8.595 ( -2.013 -0.275 -0.326) 2.058 8.609 ( -1.304 -2.344 -0.941) 2.843 8.836 ( -8.861 3.248 1.207) 9.514 8.897 ( -4.616 -2.267 1.350) 5.317 9.005 ( -0.902 1.130 3.291) 3.595 9.049 ( 0.889 -0.508 0.448) 1.118 9.096 ( -0.572 -0.096 -0.786) 0.977 9.128 ( 3.424 -0.454 1.048) 3.610 9.236 ( -5.539 3.175 7.803) 10.082 9.319 ( -1.452 -2.309 0.496) 2.772 9.395 ( 3.531 -1.727 -0.418) 3.953 9.433 ( -0.905 -3.098 7.813) 8.454 9.472 ( 6.669 3.497 -3.517) 8.311 9.589 ( 0.836 -4.167 -8.245) 9.276 9.770 ( -1.746 2.273 4.742) 5.541 9.800 ( -0.207 1.460 2.538) 2.936 9.832 ( 1.355 -1.163 1.476) 2.316 9.893 ( 1.727 -6.891 -4.738) 8.539 10.057 ( 3.313 6.695 4.138) 8.540 10.142 ( 2.509 8.449 -6.085) 10.710 10.194 ( 2.703 -6.498 8.305) 10.886 10.308 ( 2.591 -7.368 -5.919) 9.799 10.605 ( 0.656 5.834 3.847) 7.019 10.674 ( 0.979 -1.172 -4.512) 4.764 10.717 ( -3.550 4.225 2.118) 5.911 10.766 ( -3.517 2.326 0.001) 4.217 10.813 ( -2.708 -0.261 -2.019) 3.388 10.831 ( 2.489 -4.550 3.379) 6.190 11.035 ( 2.689 5.933 -0.983) 6.587 11.076 ( 2.364 2.020 -4.255) 5.270 11.225 ( -4.621 6.908 2.367) 8.641 11.348 ( 0.705 -4.822 0.688) 4.921 11.443 ( -5.599 1.167 -3.554) 6.734 11.463 ( -1.768 1.703 -3.128) 3.976 11.530 ( 4.806 -0.499 0.698) 4.882 11.579 ( 4.766 -0.668 2.426) 5.389 11.594 ( -2.535 -1.210 2.016) 3.458 11.674 ( -1.558 -9.163 -3.624) 9.976 11.757 ( 3.513 2.587 -2.820) 5.195 11.826 ( 6.465 -4.350 -1.405) 7.917 12.070 ( -4.596 4.247 4.067) 7.463 12.159 ( 1.199 -4.147 2.093) 4.798 12.439 ( -0.558 5.133 -4.839) 7.077 12.460 ( 0.448 2.770 -3.451) 4.448 12.656 ( -4.967 -6.298 2.288) 8.341 12.681 ( -3.151 -8.320 4.212) 9.843 12.857 ( -2.679 1.517 0.360) 3.100 12.900 ( -1.338 -0.559 -0.528) 1.544 12.984 ( -7.512 -0.985 -2.927) 8.123 13.010 ( -9.784 -3.713 -0.581) 10.481 13.058 ( 2.063 2.528 5.540) 6.429 13.139 ( 1.317 -5.763 1.373) 6.069 13.285 ( -2.397 -1.498 2.163) 3.559 13.299 ( -2.301 -1.771 1.677) 3.353 13.447 ( -1.217 5.977 5.028) 7.905 13.539 ( -2.510 -0.531 -5.972) 6.500 13.574 ( 2.421 -2.413 -2.726) 4.372 13.601 ( -2.622 -1.962 -5.311) 6.240 14.006 ( -3.881 8.863 -1.630) 9.812 14.128 ( -0.547 -0.109 -7.734) 7.754 14.227 ( 3.661 2.851 -4.617) 6.546 14.284 ( 7.364 -0.502 -1.441) 7.520 14.483 ( -2.579 2.356 -0.178) 3.497 14.561 ( 0.605 5.096 -2.443) 5.684 14.643 ( -4.674 -8.976 0.473) 10.131 14.774 ( 2.193 -12.371 -0.733) 12.585 15.289 ( 0.331 3.149 2.498) 4.034 15.335 ( 1.092 -1.564 -1.177) 2.242 15.542 ( -3.274 2.045 1.854) 4.283 15.620 ( 6.555 -4.243 4.958) 9.250 15.812 ( -5.958 2.577 -0.480) 6.509 15.837 ( -6.405 0.874 -1.874) 6.731 16.058 ( 5.266 5.092 0.213) 7.329 16.107 ( 8.728 0.264 0.925) 8.781 16.623 ( -4.346 1.479 12.681) 13.487 16.681 ( -2.849 -3.801 8.327) 9.587 16.837 ( 2.984 0.604 -5.929) 6.665 16.856 ( 4.217 -1.309 -7.773) 8.939 17.847 ( 0.602 1.749 2.173) 2.854 17.882 ( 2.087 -1.672 0.129) 2.677 18.130 ( 3.276 2.068 -0.758) 3.948 18.150 ( 4.074 0.031 -1.789) 4.450 21.177 ( -1.207 2.005 0.107) 2.342 21.191 ( -0.438 0.929 -0.840) 1.327 21.545 ( -1.681 -2.769 3.954) 5.112 21.588 ( -1.527 -7.093 -2.086) 7.550 22.279 ( -1.384 5.325 4.358) 7.019 22.331 ( -0.244 0.693 -1.632) 1.790 22.557 ( -0.935 -1.343 1.333) 2.111 22.587 ( -1.033 -3.684 -3.136) 4.947 23.085 ( 1.490 6.304 3.051) 7.160 23.115 ( 0.890 4.391 -2.492) 5.127 23.271 ( 0.210 -2.886 1.935) 3.481 23.302 ( -1.877 -4.437 -6.420) 8.027 23.679 ( -6.919 9.158 1.261) 11.547 23.794 ( 1.656 3.134 3.358) 4.882 23.951 ( -1.194 -0.057 0.954) 1.529 24.032 ( 2.840 -4.902 0.617) 5.699 24.276 ( -1.195 3.075 -4.533) 5.607 24.381 ( 6.700 -6.261 -4.707) 10.308 24.699 ( 1.055 -0.397 1.363) 1.769 24.743 ( 4.128 -4.676 -1.465) 6.407 25.153 ( -10.305 4.628 4.267) 12.075 25.211 ( -8.359 -1.167 2.912) 8.928 25.732 ( 12.309 6.409 0.396) 13.883 25.803 ( 14.871 -0.718 -1.806) 14.997 26.929 ( -1.808 0.288 0.400) 1.874 26.942 ( -0.906 -0.929 0.087) 1.300 27.020 ( -2.028 0.166 0.263) 2.051 27.044 ( -0.557 -2.158 -1.014) 2.449 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -13.422 9.876 -1.718) 16.753 1.679 ( -8.430 -3.737 -3.589) 9.895 1.756 ( -9.151 11.918 2.015) 15.160 1.886 ( -10.118 2.344 -1.403) 10.481 2.024 ( -5.386 -3.122 4.667) 7.781 2.050 ( -1.632 -1.052 4.127) 4.561 2.120 ( -1.640 -3.350 1.026) 3.868 2.196 ( -2.502 -9.123 3.797) 10.193 2.304 ( 1.156 2.969 -1.410) 3.484 2.340 ( 1.110 0.444 0.855) 1.470 2.446 ( -1.576 2.563 -1.148) 3.220 2.519 ( -5.310 -1.946 -2.877) 6.345 2.584 ( -3.548 3.045 -2.930) 5.517 2.654 ( -1.748 -3.671 -0.653) 4.118 2.686 ( -1.501 2.077 -0.355) 2.587 2.752 ( 4.534 -3.433 -2.895) 6.381 2.809 ( 3.461 1.029 2.359) 4.313 2.830 ( -0.714 -1.091 4.590) 4.772 2.959 ( -3.192 4.879 3.887) 7.008 2.990 ( 1.277 1.024 1.402) 2.155 3.022 ( -5.362 2.619 -1.805) 6.235 3.068 ( -0.805 0.373 0.095) 0.892 3.172 ( -4.408 4.888 3.689) 7.546 3.243 ( -4.248 -1.637 -1.407) 4.765 3.269 ( -2.912 -0.924 -0.868) 3.176 3.290 ( 2.438 -1.808 -1.038) 3.207 3.363 ( -5.118 3.591 3.068) 6.965 3.442 ( 3.155 -1.285 -0.453) 3.437 3.470 ( -3.237 3.681 2.044) 5.311 3.540 ( 2.629 0.238 2.515) 3.646 3.582 ( -8.612 0.496 0.796) 8.662 3.779 ( -7.351 -11.150 -1.079) 13.399 3.862 ( 0.162 1.497 -4.438) 4.686 3.893 ( 2.401 -3.337 -2.024) 4.583 3.977 ( 1.016 5.632 2.929) 6.429 4.040 ( -0.602 -1.035 0.318) 1.239 4.201 ( 0.001 3.063 2.037) 3.679 4.257 ( 5.067 0.049 -2.356) 5.588 4.341 ( -2.571 -3.875 1.900) 5.023 4.386 ( 0.533 -5.049 -4.650) 6.885 4.507 ( 6.007 2.067 -1.305) 6.485 4.589 ( 1.218 -0.470 1.395) 1.910 4.710 ( 2.968 -1.039 -1.041) 3.313 4.733 ( 0.520 -5.659 -2.914) 6.386 4.915 ( -0.203 7.501 -1.732) 7.701 5.040 ( 2.623 -3.411 2.009) 4.749 5.066 ( 2.026 2.167 -3.078) 4.275 5.131 ( 2.764 -3.601 0.550) 4.573 5.253 ( -0.163 6.154 -5.927) 8.545 5.342 ( -1.604 -1.751 -3.973) 4.629 5.510 ( -1.411 3.492 0.915) 3.876 5.582 ( -2.450 -0.461 2.415) 3.471 5.746 ( -4.625 0.860 -0.420) 4.723 5.790 ( -3.483 -2.733 2.710) 5.191 6.060 ( -0.439 3.937 1.462) 4.222 6.136 ( -4.743 -3.541 -0.156) 5.921 6.255 ( -0.209 4.554 2.924) 5.416 6.333 ( -0.624 -3.248 1.324) 3.562 6.549 ( 4.724 5.927 -0.619) 7.604 6.637 ( 0.532 -2.884 -1.699) 3.389 6.845 ( 2.630 3.949 -2.757) 5.487 6.931 ( 2.019 -4.162 -3.769) 5.967 7.011 ( 13.148 2.603 3.599) 13.878 7.027 ( 11.258 1.237 4.426) 12.160 7.488 ( 10.047 8.463 -4.450) 13.870 7.659 ( 6.400 5.477 4.605) 9.600 7.678 ( 12.101 -1.060 -5.038) 13.150 7.918 ( 4.131 -10.640 1.304) 11.488 8.365 ( -8.134 4.093 1.498) 9.228 8.418 ( -5.616 -1.757 1.789) 6.150 8.486 ( -10.649 -0.169 -3.158) 11.109 8.510 ( -7.147 -0.237 -0.325) 7.158 8.697 ( -2.546 4.889 1.228) 5.647 8.818 ( -0.432 -6.130 1.214) 6.264 8.954 ( -3.264 2.399 -1.339) 4.266 9.015 ( -2.506 -2.069 -0.040) 3.249 9.089 ( -1.518 2.327 0.148) 2.783 9.157 ( 0.786 -3.375 -1.199) 3.667 9.204 ( -0.930 6.245 2.357) 6.740 9.319 ( -1.708 -4.430 2.506) 5.368 9.415 ( -0.292 2.346 -3.550) 4.265 9.494 ( -1.482 -3.614 -4.830) 6.212 9.559 ( 5.088 1.617 3.805) 6.556 9.609 ( 8.547 -0.943 -1.144) 8.675 9.761 ( -1.615 0.114 8.804) 8.952 9.841 ( 2.192 -3.030 1.700) 4.108 9.935 ( 4.491 2.082 0.977) 5.046 9.949 ( 3.928 -0.452 5.034) 6.401 10.170 ( 6.032 2.809 1.044) 6.735 10.209 ( 6.071 7.013 -2.140) 9.520 10.295 ( 2.203 -6.584 3.913) 7.970 10.394 ( 9.860 -8.443 -5.155) 13.967 10.509 ( -6.562 1.644 -7.226) 9.899 10.570 ( -9.573 -3.828 -3.141) 10.778 10.632 ( -1.081 9.497 3.153) 10.065 10.755 ( -0.157 -2.796 3.869) 4.776 10.827 ( 1.695 3.987 0.496) 4.361 10.911 ( 3.749 0.168 -0.807) 3.838 11.115 ( 3.749 3.959 -3.447) 6.450 11.124 ( 4.385 4.081 -0.124) 5.991 11.182 ( -0.842 10.417 2.131) 10.666 11.311 ( -3.629 -1.837 -3.502) 5.368 11.327 ( -3.586 -4.776 0.536) 5.997 11.364 ( -3.277 -3.199 -1.029) 4.694 11.540 ( -1.830 0.742 0.006) 1.975 11.589 ( -0.919 -7.288 1.766) 7.556 11.695 ( 3.800 -2.445 1.008) 4.630 11.726 ( 4.183 -7.158 -0.446) 8.302 11.817 ( 4.071 6.029 -4.316) 8.459 11.933 ( 3.111 -3.488 -1.844) 5.024 12.002 ( -3.448 6.738 5.876) 9.582 12.171 ( -4.392 -9.688 7.156) 12.820 12.373 ( -0.619 6.336 -7.404) 9.765 12.448 ( 0.403 1.430 -5.995) 6.177 12.526 ( -7.654 -0.133 0.347) 7.663 12.595 ( -12.158 -1.726 -2.388) 12.510 12.643 ( -8.422 3.447 3.555) 9.770 12.701 ( -14.158 -3.062 -5.101) 15.358 12.847 ( -5.003 -0.539 0.655) 5.074 12.904 ( -1.459 -6.285 2.151) 6.801 13.030 ( -9.863 2.895 3.649) 10.908 13.106 ( -9.604 -5.188 3.989) 11.622 13.242 ( -3.120 0.263 1.124) 3.327 13.263 ( -2.865 -2.725 -1.441) 4.209 13.366 ( -7.455 0.480 -1.900) 7.708 13.450 ( -6.933 -4.498 -2.486) 8.630 13.489 ( 2.691 1.840 -3.590) 4.849 13.587 ( 2.109 -5.199 -6.005) 8.218 13.881 ( -6.101 7.611 -1.532) 9.874 13.987 ( -6.197 -2.550 -8.118) 10.527 14.315 ( 6.106 5.337 -4.472) 9.261 14.375 ( 3.284 -2.009 -2.286) 4.477 14.511 ( 3.845 2.491 2.464) 5.202 14.521 ( -2.066 4.962 5.234) 7.502 14.683 ( 5.441 -8.227 -0.334) 9.870 14.751 ( -2.876 -11.357 3.448) 12.212 15.270 ( -3.204 2.039 -2.190) 4.384 15.312 ( -3.219 -2.122 -1.726) 4.224 15.555 ( -5.071 7.898 2.511) 9.716 15.625 ( -9.074 0.851 -5.213) 10.499 15.762 ( 7.326 3.899 1.727) 8.477 15.869 ( 11.621 -6.279 6.991) 14.944 16.186 ( 5.804 8.676 0.050) 10.439 16.282 ( 7.474 -0.796 -0.211) 7.519 16.639 ( -2.163 0.423 11.105) 11.321 16.702 ( -0.538 -5.208 9.801) 11.112 16.861 ( 3.013 2.109 -4.972) 6.185 16.912 ( 5.435 -2.788 -5.615) 8.297 17.921 ( 4.440 1.881 3.383) 5.891 17.965 ( 5.196 -2.560 1.644) 6.021 18.229 ( 6.844 2.464 -2.138) 7.582 18.256 ( 7.195 -0.143 -2.674) 7.677 21.122 ( -2.828 3.054 -1.424) 4.399 21.165 ( -1.839 -0.523 -0.693) 2.034 21.488 ( -5.530 -4.384 -1.723) 7.265 21.494 ( -5.084 -4.152 -1.949) 6.847 22.263 ( -2.143 5.239 3.744) 6.787 22.305 ( -0.218 1.136 -2.677) 2.916 22.543 ( -3.048 -2.100 3.076) 4.813 22.557 ( -1.461 -3.589 1.763) 4.257 23.072 ( -1.286 5.219 -6.292) 8.276 23.101 ( -0.170 3.752 -6.132) 7.191 23.265 ( 0.467 0.897 4.645) 4.754 23.341 ( 3.222 -5.388 6.539) 9.065 23.597 ( -2.548 7.115 2.984) 8.126 23.751 ( -4.539 -8.019 3.490) 9.853 24.051 ( 1.402 3.682 2.523) 4.678 24.070 ( 1.910 0.287 3.359) 3.875 24.201 ( 0.681 10.159 -9.557) 13.964 24.448 ( 3.117 -12.280 -6.555) 14.264 24.745 ( 2.300 2.838 -1.250) 3.861 24.818 ( 1.803 -3.862 -2.484) 4.933 25.024 ( -2.970 4.963 5.375) 7.896 25.124 ( 1.943 -5.212 2.710) 6.187 26.083 ( 18.652 8.099 1.740) 20.409 26.167 ( 19.293 -0.226 0.249) 19.296 26.874 ( -3.733 0.919 0.458) 3.872 26.900 ( -3.377 -1.655 0.476) 3.791 26.956 ( -3.799 1.382 -0.465) 4.070 27.006 ( -1.957 -3.523 -1.462) 4.287 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -4.831 13.700 5.506) 15.535 1.503 ( -9.951 4.315 3.732) 11.470 1.567 ( -7.335 5.809 -1.607) 9.494 1.678 ( -8.420 -4.267 -2.331) 9.723 1.933 ( -5.897 -1.558 0.392) 6.112 1.975 ( -4.527 -5.122 1.051) 6.916 2.106 ( -0.502 -3.776 1.267) 4.014 2.132 ( -1.739 -6.594 1.041) 6.898 2.259 ( -2.198 5.351 -1.109) 5.890 2.335 ( -1.806 -1.181 -0.133) 2.162 2.456 ( 1.270 3.071 -2.252) 4.014 2.498 ( 1.545 -0.402 0.620) 1.712 2.564 ( -1.163 5.179 2.245) 5.763 2.603 ( -4.708 0.290 1.302) 4.893 2.659 ( 2.453 5.650 -1.283) 6.292 2.789 ( -5.936 13.697 10.460) 18.228 2.823 ( 2.787 -5.970 -1.556) 6.770 2.838 ( -0.581 3.371 7.805) 8.522 2.907 ( -0.034 0.793 1.746) 1.918 2.985 ( -4.298 1.113 -0.832) 4.517 3.021 ( 2.846 2.292 0.289) 3.665 3.077 ( -2.860 -0.508 2.079) 3.572 3.158 ( 3.029 -0.108 -4.682) 5.578 3.173 ( -2.920 1.765 -0.514) 3.451 3.227 ( 2.779 0.925 4.242) 5.155 3.303 ( -1.271 3.472 2.818) 4.649 3.325 ( 0.319 -2.902 2.338) 3.741 3.408 ( -0.365 3.212 -4.173) 5.279 3.481 ( 0.771 -4.921 -1.771) 5.286 3.488 ( -2.549 -0.441 2.340) 3.488 3.593 ( -1.476 -2.071 -1.184) 2.805 3.670 ( -2.786 -19.135 5.896) 20.215 3.763 ( -5.157 4.253 -6.616) 9.405 3.824 ( -4.201 -2.636 -2.529) 5.567 4.003 ( -1.523 3.639 -3.444) 5.237 4.051 ( 1.062 2.667 -0.487) 2.912 4.206 ( -0.322 1.964 0.057) 1.991 4.252 ( -8.139 -2.628 3.638) 9.294 4.285 ( 1.091 -1.012 -4.385) 4.631 4.334 ( -1.195 -7.629 -6.089) 9.834 4.574 ( -2.300 2.063 3.135) 4.402 4.611 ( 2.296 -1.196 -0.053) 2.590 4.733 ( 3.851 1.679 -0.894) 4.296 4.806 ( 3.472 -4.422 -2.611) 6.199 4.940 ( 3.641 6.829 0.095) 7.740 5.054 ( 1.223 -2.988 -2.219) 3.918 5.101 ( 2.529 2.181 0.172) 3.344 5.160 ( 1.957 -2.892 0.935) 3.615 5.265 ( 0.193 2.515 0.087) 2.524 5.319 ( -0.971 -2.156 -3.353) 4.103 5.477 ( -0.182 4.861 -1.372) 5.055 5.563 ( 0.303 -0.860 -0.050) 0.914 5.708 ( 0.451 -0.069 0.381) 0.594 5.772 ( -0.618 -4.274 2.673) 5.079 5.978 ( -5.216 1.263 1.955) 5.712 6.012 ( -3.953 -1.613 2.925) 5.176 6.377 ( 4.764 1.670 5.772) 7.668 6.411 ( 4.549 -2.681 2.628) 5.898 6.558 ( -0.969 2.802 -4.195) 5.136 6.608 ( -0.362 -1.819 -3.150) 3.656 6.896 ( 6.062 6.418 -3.507) 9.499 7.026 ( 8.149 -5.960 -2.859) 10.493 7.181 ( 3.604 6.175 -1.315) 7.270 7.284 ( 6.287 -3.081 -0.016) 7.001 7.675 ( -0.025 8.416 1.276) 8.512 7.815 ( -4.823 -4.040 1.462) 6.459 7.855 ( 8.304 6.074 5.387) 11.613 8.030 ( 19.009 -8.915 4.641) 21.502 8.095 ( -13.149 2.244 -3.586) 13.813 8.116 ( -13.572 0.097 -7.396) 15.457 8.397 ( -0.602 0.670 -0.429) 0.998 8.442 ( -0.946 -2.228 2.329) 3.359 8.742 ( 4.058 8.822 -1.774) 9.871 8.872 ( -0.473 -2.187 1.233) 2.554 8.938 ( 1.273 0.679 -0.033) 1.443 8.981 ( 1.473 4.185 -0.034) 4.437 9.047 ( 0.247 1.037 -0.310) 1.110 9.140 ( -1.850 -5.046 -6.742) 8.622 9.180 ( -2.896 1.514 -0.667) 3.336 9.252 ( -5.450 -3.443 5.844) 8.701 9.375 ( 0.843 2.081 -4.556) 5.079 9.449 ( -0.192 -4.306 -2.682) 5.077 9.674 ( 1.982 4.528 0.873) 5.019 9.755 ( 3.006 -2.588 0.180) 3.971 9.835 ( 2.761 1.708 7.670) 8.329 9.899 ( 2.124 -5.011 1.480) 5.640 9.999 ( 1.867 4.387 5.571) 7.333 10.051 ( 3.499 0.900 1.859) 4.063 10.220 ( 0.031 2.217 0.870) 2.382 10.289 ( -0.344 -4.328 1.002) 4.456 10.375 ( -3.786 -0.456 0.330) 3.827 10.392 ( -1.498 -1.805 1.250) 2.658 10.496 ( 10.706 4.995 -1.608) 11.923 10.591 ( -0.155 9.454 -1.792) 9.624 10.612 ( 10.443 -2.213 -2.988) 11.085 10.713 ( -1.469 -0.709 3.474) 3.838 10.898 ( 2.158 -0.426 3.988) 4.554 11.033 ( 5.541 -9.486 0.186) 10.987 11.040 ( -6.583 8.836 -1.796) 11.164 11.182 ( 5.312 5.281 -6.266) 9.766 11.222 ( -7.626 -5.342 2.969) 9.772 11.246 ( 0.476 2.444 -0.360) 2.516 11.296 ( 6.388 -3.275 -4.432) 8.437 11.344 ( 2.297 -4.919 -1.647) 5.673 11.505 ( -0.851 1.098 -0.020) 1.389 11.586 ( -1.014 -5.292 0.744) 5.440 11.663 ( -7.335 1.210 -2.836) 7.957 11.722 ( -2.806 -5.115 -1.183) 5.953 11.799 ( -4.538 2.411 0.432) 5.157 11.949 ( -5.901 -7.594 0.189) 9.619 12.041 ( 3.896 7.005 1.403) 8.137 12.083 ( -1.801 2.506 0.311) 3.102 12.256 ( -7.842 0.999 -2.738) 8.367 12.291 ( -12.468 -2.447 -4.140) 13.364 12.361 ( 0.917 2.238 -0.415) 2.454 12.432 ( -2.856 -2.381 0.600) 3.766 12.542 ( -2.109 0.440 1.095) 2.417 12.590 ( -6.493 -2.079 3.589) 7.705 12.713 ( -12.451 4.422 -2.106) 13.380 12.745 ( -5.030 5.434 2.090) 7.694 12.864 ( -7.628 -8.070 1.985) 11.281 12.920 ( -4.216 -9.219 0.190) 10.139 13.175 ( -3.383 4.800 -1.335) 6.022 13.194 ( -3.011 0.713 -1.245) 3.335 13.247 ( -1.350 -2.984 -4.548) 5.605 13.296 ( -6.806 -4.132 -0.946) 8.018 13.481 ( -2.147 0.982 -3.891) 4.551 13.585 ( 1.058 -6.376 -7.571) 9.954 13.812 ( -0.983 7.743 0.100) 7.806 13.866 ( -0.945 2.692 -0.847) 2.976 14.388 ( 2.779 -2.049 -1.354) 3.709 14.419 ( 0.718 -4.083 0.813) 4.225 14.555 ( 3.197 3.153 2.622) 5.200 14.597 ( 2.656 -0.588 3.677) 4.574 14.769 ( 3.127 -0.890 4.228) 5.333 14.817 ( 5.028 -5.291 3.744) 8.204 15.165 ( -4.601 1.267 -2.953) 5.612 15.198 ( -4.977 -1.805 -2.589) 5.894 15.387 ( -8.049 4.517 -5.377) 10.682 15.432 ( -6.296 0.472 -6.818) 9.293 15.990 ( 8.542 9.218 5.988) 13.921 16.121 ( 7.847 -1.780 5.060) 9.505 16.279 ( 3.278 7.780 0.570) 8.462 16.388 ( 3.200 -1.875 -0.751) 3.784 16.666 ( -1.536 1.334 8.890) 9.120 16.771 ( 1.172 -8.083 5.882) 10.065 16.903 ( 2.992 2.404 -0.049) 3.838 16.991 ( 4.813 -5.402 -3.238) 7.927 18.040 ( 4.166 1.780 4.139) 6.136 18.085 ( 4.591 -2.643 2.099) 5.699 18.346 ( 5.568 2.511 -2.759) 6.702 18.374 ( 5.712 -0.209 -3.665) 6.790 21.075 ( -0.867 3.096 -0.025) 3.215 21.126 ( -0.977 -1.295 -0.431) 1.678 21.333 ( -6.485 -0.861 -3.564) 7.449 21.374 ( -5.564 -3.913 -2.605) 7.284 22.255 ( -1.623 5.545 5.074) 7.690 22.302 ( 1.335 1.255 -1.703) 2.501 22.492 ( -3.269 -1.450 3.164) 4.775 22.531 ( -1.986 -5.032 1.540) 5.625 23.005 ( -1.312 4.838 -5.310) 7.303 23.031 ( -1.534 3.172 -6.864) 7.715 23.355 ( 2.949 4.602 8.035) 9.718 23.455 ( 2.951 -3.969 5.634) 7.497 23.600 ( 0.361 4.021 4.761) 6.243 23.717 ( -0.852 -7.436 4.706) 8.841 23.997 ( -3.682 5.036 -3.836) 7.324 24.061 ( -2.493 -1.471 0.462) 2.931 24.255 ( 4.919 4.959 -4.031) 8.064 24.414 ( -1.512 -10.406 -7.531) 12.934 24.747 ( -0.296 1.531 -1.045) 1.877 24.796 ( -1.099 -3.541 -1.862) 4.149 25.131 ( 7.842 5.492 3.938) 10.352 25.260 ( 7.677 -7.433 -2.033) 10.878 26.422 ( 11.990 7.241 2.448) 14.219 26.496 ( 10.551 0.076 1.261) 10.626 26.798 ( -3.588 0.891 0.558) 3.739 26.819 ( -4.235 -1.163 0.496) 4.420 26.899 ( -0.507 2.910 -0.637) 3.022 26.972 ( 0.265 -3.861 -2.306) 4.505 =================== 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 3/31500 10.0 1186.218 1178.883 1030.847 0.000 29.500 0.000 3/31500 20.0 128.302 118.906 78.248 0.000 -2.477 0.000 3/31500 30.0 44.741 40.938 26.331 0.000 -0.983 0.000 3/31500 40.0 24.063 21.969 14.199 0.000 -0.490 0.000 3/31500 50.0 15.836 14.477 9.422 0.000 -0.293 0.000 3/31500 60.0 11.627 10.651 6.971 0.000 -0.194 0.000 3/31500 70.0 9.126 8.373 5.504 0.000 -0.136 0.000 3/31500 80.0 7.487 6.874 4.536 0.000 -0.099 0.000 3/31500 90.0 6.338 5.820 3.852 0.000 -0.074 0.000 3/31500 100.0 5.492 5.040 3.346 0.000 -0.056 0.000 3/31500 110.0 4.846 4.443 2.958 0.000 -0.044 0.000 3/31500 120.0 4.337 3.971 2.651 0.000 -0.035 0.000 3/31500 130.0 3.927 3.591 2.404 0.000 -0.028 0.000 3/31500 140.0 3.590 3.277 2.200 0.000 -0.023 0.000 3/31500 150.0 3.307 3.015 2.029 0.000 -0.019 0.000 3/31500 160.0 3.068 2.793 1.885 0.000 -0.016 0.000 3/31500 170.0 2.862 2.602 1.760 0.000 -0.013 0.000 3/31500 180.0 2.683 2.436 1.652 0.000 -0.011 0.000 3/31500 190.0 2.527 2.291 1.558 0.000 -0.010 0.000 3/31500 200.0 2.388 2.162 1.474 0.000 -0.009 0.000 3/31500 210.0 2.265 2.048 1.399 0.000 -0.008 0.000 3/31500 220.0 2.154 1.946 1.333 0.000 -0.007 0.000 3/31500 230.0 2.055 1.854 1.272 0.000 -0.006 0.000 3/31500 240.0 1.964 1.770 1.217 0.000 -0.006 0.000 3/31500 250.0 1.882 1.694 1.167 0.000 -0.005 0.000 3/31500 260.0 1.806 1.625 1.122 0.000 -0.005 0.000 3/31500 270.0 1.737 1.561 1.080 0.000 -0.004 0.000 3/31500 280.0 1.673 1.502 1.041 0.000 -0.004 0.000 3/31500 290.0 1.614 1.448 1.005 0.000 -0.004 0.000 3/31500 300.0 1.559 1.398 0.971 0.000 -0.004 0.000 3/31500 310.0 1.507 1.351 0.940 0.000 -0.003 0.000 3/31500 320.0 1.459 1.307 0.911 0.000 -0.003 0.000 3/31500 330.0 1.415 1.266 0.883 0.000 -0.003 0.000 3/31500 340.0 1.373 1.228 0.858 0.000 -0.003 0.000 3/31500 350.0 1.333 1.192 0.833 0.000 -0.003 0.000 3/31500 360.0 1.296 1.158 0.811 0.000 -0.003 0.000 3/31500 370.0 1.261 1.126 0.789 0.000 -0.003 0.000 3/31500 380.0 1.228 1.095 0.769 0.000 -0.003 0.000 3/31500 390.0 1.196 1.067 0.749 0.000 -0.003 0.000 3/31500 400.0 1.166 1.040 0.731 0.000 -0.003 0.000 3/31500 410.0 1.138 1.014 0.713 0.000 -0.002 0.000 3/31500 420.0 1.111 0.989 0.697 0.000 -0.002 0.000 3/31500 430.0 1.085 0.966 0.681 0.000 -0.002 0.000 3/31500 440.0 1.061 0.944 0.666 0.000 -0.002 0.000 3/31500 450.0 1.037 0.923 0.651 0.000 -0.002 0.000 3/31500 460.0 1.015 0.902 0.637 0.000 -0.002 0.000 3/31500 470.0 0.993 0.883 0.624 0.000 -0.002 0.000 3/31500 480.0 0.973 0.864 0.611 0.000 -0.002 0.000 3/31500 490.0 0.953 0.847 0.599 0.000 -0.002 0.000 3/31500 500.0 0.934 0.830 0.587 0.000 -0.002 0.000 3/31500 510.0 0.916 0.813 0.576 0.000 -0.002 0.000 3/31500 520.0 0.899 0.798 0.565 0.000 -0.002 0.000 3/31500 530.0 0.882 0.782 0.555 0.000 -0.002 0.000 3/31500 540.0 0.866 0.768 0.545 0.000 -0.002 0.000 3/31500 550.0 0.850 0.754 0.535 0.000 -0.002 0.000 3/31500 560.0 0.835 0.740 0.525 0.000 -0.002 0.000 3/31500 570.0 0.820 0.727 0.516 0.000 -0.002 0.000 3/31500 580.0 0.806 0.715 0.508 0.000 -0.002 0.000 3/31500 590.0 0.793 0.703 0.499 0.000 -0.002 0.000 3/31500 600.0 0.780 0.691 0.491 0.000 -0.002 0.000 3/31500 610.0 0.767 0.679 0.483 0.000 -0.002 0.000 3/31500 620.0 0.755 0.668 0.475 0.000 -0.002 0.000 3/31500 630.0 0.743 0.658 0.468 0.000 -0.002 0.000 3/31500 640.0 0.731 0.648 0.461 0.000 -0.002 0.000 3/31500 650.0 0.720 0.638 0.454 0.000 -0.002 0.000 3/31500 660.0 0.709 0.628 0.447 0.000 -0.002 0.000 3/31500 670.0 0.699 0.619 0.441 0.000 -0.002 0.000 3/31500 680.0 0.689 0.609 0.434 0.000 -0.002 0.000 3/31500 690.0 0.679 0.601 0.428 0.000 -0.002 0.000 3/31500 700.0 0.669 0.592 0.422 0.000 -0.002 0.000 3/31500 710.0 0.660 0.584 0.416 0.000 -0.002 0.000 3/31500 720.0 0.651 0.576 0.410 0.000 -0.002 0.000 3/31500 730.0 0.642 0.568 0.405 0.000 -0.002 0.000 3/31500 740.0 0.633 0.560 0.399 0.000 -0.002 0.000 3/31500 750.0 0.625 0.552 0.394 0.000 -0.002 0.000 3/31500 760.0 0.617 0.545 0.389 0.000 -0.001 0.000 3/31500 770.0 0.609 0.538 0.384 0.000 -0.001 0.000 3/31500 780.0 0.601 0.531 0.379 0.000 -0.001 0.000 3/31500 790.0 0.594 0.525 0.375 0.000 -0.001 0.000 3/31500 800.0 0.586 0.518 0.370 0.000 -0.001 0.000 3/31500 810.0 0.579 0.512 0.365 0.000 -0.001 0.000 3/31500 820.0 0.572 0.505 0.361 0.000 -0.001 0.000 3/31500 830.0 0.565 0.499 0.357 0.000 -0.001 0.000 3/31500 840.0 0.559 0.493 0.353 0.000 -0.001 0.000 3/31500 850.0 0.552 0.487 0.348 0.000 -0.001 0.000 3/31500 860.0 0.546 0.482 0.344 0.000 -0.001 0.000 3/31500 870.0 0.539 0.476 0.341 0.000 -0.001 0.000 3/31500 880.0 0.533 0.471 0.337 0.000 -0.001 0.000 3/31500 890.0 0.527 0.466 0.333 0.000 -0.001 0.000 3/31500 900.0 0.522 0.460 0.329 0.000 -0.001 0.000 3/31500 910.0 0.516 0.455 0.326 0.000 -0.001 0.000 3/31500 920.0 0.510 0.450 0.322 0.000 -0.001 0.000 3/31500 930.0 0.505 0.446 0.319 0.000 -0.001 0.000 3/31500 940.0 0.500 0.441 0.315 0.000 -0.001 0.000 3/31500 950.0 0.494 0.436 0.312 0.000 -0.001 0.000 3/31500 960.0 0.489 0.432 0.309 0.000 -0.001 0.000 3/31500 970.0 0.484 0.427 0.306 0.000 -0.001 0.000 3/31500 980.0 0.479 0.423 0.303 0.000 -0.001 0.000 3/31500 990.0 0.474 0.419 0.300 0.000 -0.001 0.000 3/31500 1000.0 0.470 0.414 0.297 0.000 -0.001 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:25:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|