----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:34:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.302441350007145 0.000000000000000 0.000000000000000 b 0.000000000000000 6.653033410000000 0.000000000000000 c -2.447228293940783 0.000000000000000 10.849472332298367 Atomic positions (fractional): *1 Ca 0.79554865661053 0.87195293639830 0.80170676639950 40.078 *2 Ca 0.78322616383905 0.37662585651908 0.79845460913760 40.078 *3 Ca 0.37222609583488 0.12434943911180 0.98696517155013 40.078 4 Ca 0.62777390416512 0.87565056088820 0.01303482844986 40.078 5 Ca 0.21677383616095 0.62337414348092 0.20154539086240 40.078 6 Ca 0.20445134338947 0.12804706360170 0.19829323360050 40.078 7 Ca 0.78322616383905 0.12337414348092 0.29845460913760 40.078 8 Ca 0.79554865661053 0.62804706360170 0.30170676639950 40.078 9 Ca 0.37222609583488 0.37565056088820 0.48696517155014 40.078 10 Ca 0.62777390416512 0.62434943911180 0.51303482844987 40.078 11 Ca 0.20445134338947 0.37195293639830 0.69829323360050 40.078 12 Ca 0.21677383616095 0.87662585651908 0.70154539086240 40.078 *13 Tl 0.06461663258403 0.12505217191653 0.89956122061241 204.383 *14 Tl 0.06247963129351 0.62513870835202 0.90171935921853 204.383 *15 Tl 0.37067199379723 0.62806388541447 0.99003993380324 204.383 16 Tl 0.62932800620276 0.37193611458553 0.00996006619676 204.383 17 Tl 0.93752036870649 0.37486129164798 0.09828064078147 204.383 18 Tl 0.93538336741596 0.87494782808347 0.10043877938759 204.383 *19 Tl 0.49965660246640 0.87486573449292 0.25196204237070 204.383 20 Tl 0.50034339753360 0.37486573449292 0.24803795762930 204.383 21 Tl 0.06461663258403 0.37494782808347 0.39956122061241 204.383 22 Tl 0.06247963129351 0.87486129164798 0.40171935921853 204.383 23 Tl 0.37067199379723 0.87193611458553 0.49003993380324 204.383 24 Tl 0.62932800620276 0.12806388541447 0.50996006619676 204.383 25 Tl 0.93752036870649 0.12513870835202 0.59828064078147 204.383 26 Tl 0.93538336741596 0.62505217191653 0.60043877938759 204.383 27 Tl 0.50034339753360 0.12513426550708 0.74803795762930 204.383 28 Tl 0.49965660246640 0.62513426550708 0.75196204237070 204.383 *29 O 0.44352696258365 0.87145132590065 0.87739379886167 15.999 *30 O 0.45289287346403 0.37654435165718 0.88350703366584 15.999 *31 O 0.21684506969240 0.12506523585170 0.84204068420018 15.999 *32 O 0.22000129177071 0.62311725531684 0.84612602001507 15.999 *33 O 0.66311186120511 0.62081618654747 0.87513166622342 15.999 *34 O 0.66234564084254 0.12440443628420 0.87395712504676 15.999 *35 O 0.89606742920839 0.62139561799057 0.94325518701172 15.999 *36 O 0.89842096925674 0.12862488190567 0.94124687674161 15.999 37 O 0.10157903074326 0.87137511809433 0.05875312325839 15.999 38 O 0.10393257079161 0.37860438200943 0.05674481298828 15.999 39 O 0.33688813879489 0.37918381345253 0.12486833377658 15.999 40 O 0.33765435915747 0.87559556371580 0.12604287495324 15.999 41 O 0.77999870822929 0.37688274468316 0.15387397998493 15.999 42 O 0.78315493030760 0.87493476414830 0.15795931579982 15.999 43 O 0.54710712653597 0.62345564834281 0.11649296633416 15.999 44 O 0.55647303741635 0.12854867409935 0.12260620113833 15.999 *45 O 0.99438605877180 0.62473894390341 0.25310920218144 15.999 46 O 0.00561394122820 0.12473894390341 0.24689079781856 15.999 47 O 0.44352696258365 0.62854867409935 0.37739379886167 15.999 48 O 0.45289287346403 0.12345564834281 0.38350703366584 15.999 49 O 0.21684506969240 0.37493476414830 0.34204068420018 15.999 50 O 0.22000129177071 0.87688274468316 0.34612602001507 15.999 51 O 0.66311186120511 0.87918381345253 0.37513166622342 15.999 52 O 0.66234564084254 0.37559556371580 0.37395712504676 15.999 53 O 0.89842096925674 0.37137511809433 0.44124687674161 15.999 54 O 0.89606742920839 0.87860438200943 0.44325518701172 15.999 55 O 0.10393257079161 0.12139561799057 0.55674481298828 15.999 56 O 0.10157903074326 0.62862488190567 0.55875312325839 15.999 57 O 0.33688813879489 0.12081618654747 0.62486833377658 15.999 58 O 0.33765435915747 0.62440443628420 0.62604287495324 15.999 59 O 0.77999870822929 0.12311725531684 0.65387397998493 15.999 60 O 0.78315493030760 0.62506523585170 0.65795931579982 15.999 61 O 0.54710712653597 0.87654435165719 0.61649296633416 15.999 62 O 0.55647303741635 0.37145132590065 0.62260620113833 15.999 63 O 0.99438605877180 0.87526105609659 0.75310920218144 15.999 64 O 0.00561394122820 0.37526105609659 0.74689079781856 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.302441350007145 0.000000000000000 0.000000000000000 b 0.000000000000000 6.653033410000000 0.000000000000000 c -2.447228293940783 0.000000000000000 10.849472332298367 Atomic positions (fractional): *1 Ca 0.79554865661053 0.87195293639830 0.80170676639950 40.078 > 1 *2 Ca 0.78322616383905 0.37662585651908 0.79845460913760 40.078 > 2 *3 Ca 0.37222609583488 0.12434943911180 0.98696517155013 40.078 > 3 4 Ca 0.62777390416512 0.87565056088820 0.01303482844986 40.078 > 4 5 Ca 0.21677383616095 0.62337414348092 0.20154539086240 40.078 > 5 6 Ca 0.20445134338947 0.12804706360170 0.19829323360050 40.078 > 6 7 Ca 0.78322616383905 0.12337414348092 0.29845460913760 40.078 > 7 8 Ca 0.79554865661053 0.62804706360170 0.30170676639950 40.078 > 8 9 Ca 0.37222609583488 0.37565056088820 0.48696517155014 40.078 > 9 10 Ca 0.62777390416512 0.62434943911180 0.51303482844987 40.078 > 10 11 Ca 0.20445134338947 0.37195293639830 0.69829323360050 40.078 > 11 12 Ca 0.21677383616095 0.87662585651908 0.70154539086240 40.078 > 12 *13 Tl 0.06461663258403 0.12505217191653 0.89956122061241 204.383 > 13 *14 Tl 0.06247963129351 0.62513870835202 0.90171935921853 204.383 > 14 *15 Tl 0.37067199379723 0.62806388541447 0.99003993380324 204.383 > 15 16 Tl 0.62932800620276 0.37193611458553 0.00996006619676 204.383 > 16 17 Tl 0.93752036870649 0.37486129164798 0.09828064078147 204.383 > 17 18 Tl 0.93538336741596 0.87494782808347 0.10043877938759 204.383 > 18 *19 Tl 0.49965660246640 0.87486573449292 0.25196204237070 204.383 > 19 20 Tl 0.50034339753360 0.37486573449292 0.24803795762930 204.383 > 20 21 Tl 0.06461663258403 0.37494782808347 0.39956122061241 204.383 > 21 22 Tl 0.06247963129351 0.87486129164798 0.40171935921853 204.383 > 22 23 Tl 0.37067199379723 0.87193611458553 0.49003993380324 204.383 > 23 24 Tl 0.62932800620276 0.12806388541447 0.50996006619676 204.383 > 24 25 Tl 0.93752036870649 0.12513870835202 0.59828064078147 204.383 > 25 26 Tl 0.93538336741596 0.62505217191653 0.60043877938759 204.383 > 26 27 Tl 0.50034339753360 0.12513426550708 0.74803795762930 204.383 > 27 28 Tl 0.49965660246640 0.62513426550708 0.75196204237070 204.383 > 28 *29 O 0.44352696258365 0.87145132590065 0.87739379886167 15.999 > 29 *30 O 0.45289287346403 0.37654435165718 0.88350703366584 15.999 > 30 *31 O 0.21684506969240 0.12506523585170 0.84204068420018 15.999 > 31 *32 O 0.22000129177071 0.62311725531684 0.84612602001507 15.999 > 32 *33 O 0.66311186120511 0.62081618654747 0.87513166622342 15.999 > 33 *34 O 0.66234564084254 0.12440443628420 0.87395712504676 15.999 > 34 *35 O 0.89606742920839 0.62139561799057 0.94325518701172 15.999 > 35 *36 O 0.89842096925674 0.12862488190567 0.94124687674161 15.999 > 36 37 O 0.10157903074326 0.87137511809433 0.05875312325839 15.999 > 37 38 O 0.10393257079161 0.37860438200943 0.05674481298828 15.999 > 38 39 O 0.33688813879489 0.37918381345253 0.12486833377658 15.999 > 39 40 O 0.33765435915747 0.87559556371580 0.12604287495324 15.999 > 40 41 O 0.77999870822929 0.37688274468316 0.15387397998493 15.999 > 41 42 O 0.78315493030760 0.87493476414830 0.15795931579982 15.999 > 42 43 O 0.54710712653597 0.62345564834281 0.11649296633416 15.999 > 43 44 O 0.55647303741635 0.12854867409935 0.12260620113833 15.999 > 44 *45 O 0.99438605877180 0.62473894390341 0.25310920218144 15.999 > 45 46 O 0.00561394122820 0.12473894390341 0.24689079781856 15.999 > 46 47 O 0.44352696258365 0.62854867409935 0.37739379886167 15.999 > 47 48 O 0.45289287346403 0.12345564834281 0.38350703366584 15.999 > 48 49 O 0.21684506969240 0.37493476414830 0.34204068420018 15.999 > 49 50 O 0.22000129177071 0.87688274468316 0.34612602001507 15.999 > 50 51 O 0.66311186120511 0.87918381345253 0.37513166622342 15.999 > 51 52 O 0.66234564084254 0.37559556371580 0.37395712504676 15.999 > 52 53 O 0.89842096925674 0.37137511809433 0.44124687674161 15.999 > 53 54 O 0.89606742920839 0.87860438200943 0.44325518701172 15.999 > 54 55 O 0.10393257079161 0.12139561799057 0.55674481298828 15.999 > 55 56 O 0.10157903074326 0.62862488190567 0.55875312325839 15.999 > 56 57 O 0.33688813879489 0.12081618654747 0.62486833377658 15.999 > 57 58 O 0.33765435915747 0.62440443628420 0.62604287495324 15.999 > 58 59 O 0.77999870822929 0.12311725531684 0.65387397998493 15.999 > 59 60 O 0.78315493030760 0.62506523585170 0.65795931579982 15.999 > 60 61 O 0.54710712653597 0.87654435165719 0.61649296633416 15.999 > 61 62 O 0.55647303741635 0.37145132590065 0.62260620113833 15.999 > 62 63 O 0.99438605877180 0.87526105609659 0.75310920218144 15.999 > 63 64 O 0.00561394122820 0.37526105609659 0.74689079781856 15.999 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.302441350007145 0.000000000000000 0.000000000000000 b 0.000000000000000 13.306066820000000 0.000000000000000 c -2.447228293940783 0.000000000000000 10.849472332298367 Atomic positions (fractional): *1 Ca 0.79554865661053 0.43597646819915 0.80170676639950 40.078 > 1 2 Ca 0.79554865661053 0.93597646819915 0.80170676639950 40.078 > 1 *3 Ca 0.78322616383905 0.18831292825954 0.79845460913760 40.078 > 2 4 Ca 0.78322616383905 0.68831292825954 0.79845460913760 40.078 > 2 *5 Ca 0.37222609583488 0.06217471955590 0.98696517155013 40.078 > 3 6 Ca 0.37222609583488 0.56217471955590 0.98696517155013 40.078 > 3 7 Ca 0.62777390416512 0.43782528044410 0.01303482844986 40.078 > 4 8 Ca 0.62777390416512 0.93782528044410 0.01303482844986 40.078 > 4 9 Ca 0.21677383616095 0.31168707174046 0.20154539086240 40.078 > 5 10 Ca 0.21677383616095 0.81168707174046 0.20154539086240 40.078 > 5 11 Ca 0.20445134338947 0.06402353180085 0.19829323360050 40.078 > 6 12 Ca 0.20445134338947 0.56402353180085 0.19829323360050 40.078 > 6 13 Ca 0.78322616383905 0.06168707174046 0.29845460913760 40.078 > 7 14 Ca 0.78322616383905 0.56168707174046 0.29845460913760 40.078 > 7 15 Ca 0.79554865661053 0.31402353180085 0.30170676639950 40.078 > 8 16 Ca 0.79554865661053 0.81402353180085 0.30170676639950 40.078 > 8 17 Ca 0.37222609583488 0.18782528044410 0.48696517155014 40.078 > 9 18 Ca 0.37222609583488 0.68782528044410 0.48696517155014 40.078 > 9 19 Ca 0.62777390416512 0.31217471955590 0.51303482844987 40.078 > 10 20 Ca 0.62777390416512 0.81217471955590 0.51303482844987 40.078 > 10 21 Ca 0.20445134338947 0.18597646819915 0.69829323360050 40.078 > 11 22 Ca 0.20445134338947 0.68597646819915 0.69829323360050 40.078 > 11 23 Ca 0.21677383616095 0.43831292825954 0.70154539086240 40.078 > 12 24 Ca 0.21677383616095 0.93831292825954 0.70154539086240 40.078 > 12 *25 Tl 0.06461663258403 0.06252608595827 0.89956122061241 204.383 > 13 26 Tl 0.06461663258403 0.56252608595827 0.89956122061241 204.383 > 13 *27 Tl 0.06247963129351 0.31256935417601 0.90171935921853 204.383 > 14 28 Tl 0.06247963129351 0.81256935417601 0.90171935921853 204.383 > 14 *29 Tl 0.37067199379723 0.31403194270723 0.99003993380324 204.383 > 15 30 Tl 0.37067199379723 0.81403194270723 0.99003993380324 204.383 > 15 31 Tl 0.62932800620276 0.18596805729277 0.00996006619676 204.383 > 16 32 Tl 0.62932800620276 0.68596805729277 0.00996006619676 204.383 > 16 33 Tl 0.93752036870649 0.18743064582399 0.09828064078147 204.383 > 17 34 Tl 0.93752036870649 0.68743064582399 0.09828064078147 204.383 > 17 35 Tl 0.93538336741596 0.43747391404174 0.10043877938759 204.383 > 18 36 Tl 0.93538336741596 0.93747391404173 0.10043877938759 204.383 > 18 *37 Tl 0.49965660246640 0.43743286724646 0.25196204237070 204.383 > 19 38 Tl 0.49965660246640 0.93743286724646 0.25196204237070 204.383 > 19 39 Tl 0.50034339753360 0.18743286724646 0.24803795762930 204.383 > 20 40 Tl 0.50034339753360 0.68743286724646 0.24803795762930 204.383 > 20 41 Tl 0.06461663258403 0.18747391404173 0.39956122061241 204.383 > 21 42 Tl 0.06461663258403 0.68747391404173 0.39956122061241 204.383 > 21 43 Tl 0.06247963129351 0.43743064582399 0.40171935921853 204.383 > 22 44 Tl 0.06247963129351 0.93743064582399 0.40171935921853 204.383 > 22 45 Tl 0.37067199379723 0.43596805729277 0.49003993380324 204.383 > 23 46 Tl 0.37067199379723 0.93596805729277 0.49003993380324 204.383 > 23 47 Tl 0.62932800620276 0.06403194270723 0.50996006619676 204.383 > 24 48 Tl 0.62932800620276 0.56403194270723 0.50996006619676 204.383 > 24 49 Tl 0.93752036870649 0.06256935417601 0.59828064078147 204.383 > 25 50 Tl 0.93752036870649 0.56256935417601 0.59828064078147 204.383 > 25 51 Tl 0.93538336741596 0.31252608595826 0.60043877938759 204.383 > 26 52 Tl 0.93538336741596 0.81252608595827 0.60043877938759 204.383 > 26 53 Tl 0.50034339753360 0.06256713275354 0.74803795762930 204.383 > 27 54 Tl 0.50034339753360 0.56256713275354 0.74803795762930 204.383 > 27 55 Tl 0.49965660246640 0.31256713275354 0.75196204237070 204.383 > 28 56 Tl 0.49965660246640 0.81256713275354 0.75196204237070 204.383 > 28 *57 O 0.44352696258365 0.43572566295033 0.87739379886167 15.999 > 29 58 O 0.44352696258365 0.93572566295033 0.87739379886167 15.999 > 29 *59 O 0.45289287346403 0.18827217582859 0.88350703366584 15.999 > 30 60 O 0.45289287346403 0.68827217582859 0.88350703366584 15.999 > 30 *61 O 0.21684506969240 0.06253261792585 0.84204068420018 15.999 > 31 62 O 0.21684506969240 0.56253261792585 0.84204068420018 15.999 > 31 *63 O 0.22000129177071 0.31155862765842 0.84612602001507 15.999 > 32 64 O 0.22000129177071 0.81155862765842 0.84612602001507 15.999 > 32 *65 O 0.66311186120511 0.31040809327373 0.87513166622342 15.999 > 33 66 O 0.66311186120511 0.81040809327373 0.87513166622342 15.999 > 33 *67 O 0.66234564084254 0.06220221814210 0.87395712504676 15.999 > 34 68 O 0.66234564084254 0.56220221814210 0.87395712504676 15.999 > 34 *69 O 0.89606742920839 0.31069780899528 0.94325518701172 15.999 > 35 70 O 0.89606742920839 0.81069780899528 0.94325518701172 15.999 > 35 *71 O 0.89842096925674 0.06431244095284 0.94124687674161 15.999 > 36 72 O 0.89842096925674 0.56431244095284 0.94124687674161 15.999 > 36 73 O 0.10157903074326 0.43568755904716 0.05875312325839 15.999 > 37 74 O 0.10157903074326 0.93568755904716 0.05875312325839 15.999 > 37 75 O 0.10393257079161 0.18930219100472 0.05674481298828 15.999 > 38 76 O 0.10393257079161 0.68930219100472 0.05674481298828 15.999 > 38 77 O 0.33688813879489 0.18959190672627 0.12486833377658 15.999 > 39 78 O 0.33688813879489 0.68959190672627 0.12486833377658 15.999 > 39 79 O 0.33765435915747 0.43779778185790 0.12604287495324 15.999 > 40 80 O 0.33765435915747 0.93779778185790 0.12604287495324 15.999 > 40 81 O 0.77999870822929 0.18844137234158 0.15387397998493 15.999 > 41 82 O 0.77999870822929 0.68844137234158 0.15387397998493 15.999 > 41 83 O 0.78315493030760 0.43746738207415 0.15795931579982 15.999 > 42 84 O 0.78315493030760 0.93746738207415 0.15795931579982 15.999 > 42 85 O 0.54710712653597 0.31172782417141 0.11649296633416 15.999 > 43 86 O 0.54710712653597 0.81172782417141 0.11649296633416 15.999 > 43 87 O 0.55647303741635 0.06427433704967 0.12260620113833 15.999 > 44 88 O 0.55647303741635 0.56427433704967 0.12260620113833 15.999 > 44 *89 O 0.99438605877180 0.31236947195171 0.25310920218144 15.999 > 45 90 O 0.99438605877180 0.81236947195171 0.25310920218144 15.999 > 45 91 O 0.00561394122820 0.06236947195171 0.24689079781856 15.999 > 46 92 O 0.00561394122820 0.56236947195171 0.24689079781856 15.999 > 46 93 O 0.44352696258365 0.31427433704967 0.37739379886167 15.999 > 47 94 O 0.44352696258365 0.81427433704967 0.37739379886167 15.999 > 47 95 O 0.45289287346403 0.06172782417141 0.38350703366584 15.999 > 48 96 O 0.45289287346403 0.56172782417141 0.38350703366584 15.999 > 48 97 O 0.21684506969240 0.18746738207415 0.34204068420018 15.999 > 49 98 O 0.21684506969240 0.68746738207415 0.34204068420018 15.999 > 49 99 O 0.22000129177071 0.43844137234158 0.34612602001507 15.999 > 50 100 O 0.22000129177071 0.93844137234158 0.34612602001507 15.999 > 50 101 O 0.66311186120511 0.43959190672627 0.37513166622342 15.999 > 51 102 O 0.66311186120511 0.93959190672627 0.37513166622342 15.999 > 51 103 O 0.66234564084254 0.18779778185790 0.37395712504676 15.999 > 52 104 O 0.66234564084254 0.68779778185790 0.37395712504676 15.999 > 52 105 O 0.89842096925674 0.18568755904716 0.44124687674161 15.999 > 53 106 O 0.89842096925674 0.68568755904716 0.44124687674161 15.999 > 53 107 O 0.89606742920839 0.43930219100472 0.44325518701172 15.999 > 54 108 O 0.89606742920839 0.93930219100472 0.44325518701172 15.999 > 54 109 O 0.10393257079161 0.06069780899528 0.55674481298828 15.999 > 55 110 O 0.10393257079161 0.56069780899528 0.55674481298828 15.999 > 55 111 O 0.10157903074326 0.31431244095284 0.55875312325839 15.999 > 56 112 O 0.10157903074326 0.81431244095284 0.55875312325839 15.999 > 56 113 O 0.33688813879489 0.06040809327373 0.62486833377658 15.999 > 57 114 O 0.33688813879489 0.56040809327373 0.62486833377658 15.999 > 57 115 O 0.33765435915747 0.31220221814210 0.62604287495324 15.999 > 58 116 O 0.33765435915747 0.81220221814210 0.62604287495324 15.999 > 58 117 O 0.77999870822929 0.06155862765842 0.65387397998493 15.999 > 59 118 O 0.77999870822929 0.56155862765842 0.65387397998493 15.999 > 59 119 O 0.78315493030760 0.31253261792585 0.65795931579982 15.999 > 60 120 O 0.78315493030760 0.81253261792585 0.65795931579982 15.999 > 60 121 O 0.54710712653597 0.43827217582859 0.61649296633416 15.999 > 61 122 O 0.54710712653597 0.93827217582859 0.61649296633416 15.999 > 61 123 O 0.55647303741635 0.18572566295033 0.62260620113833 15.999 > 62 124 O 0.55647303741635 0.68572566295033 0.62260620113833 15.999 > 62 125 O 0.99438605877180 0.43763052804829 0.75310920218144 15.999 > 63 126 O 0.99438605877180 0.93763052804829 0.75310920218144 15.999 > 63 127 O 0.00561394122820 0.18763052804829 0.74689079781856 15.999 > 64 128 O 0.00561394122820 0.68763052804829 0.74689079781856 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8201813 0.0000000 0.0883701 0.0000000 6.4021214 0.0000000 0.0883705 0.0000000 6.6196005 -------------------------- Born effective charges -------------------------- 1 Ca 2.5552335 -0.2799831 -0.1625300 0.0115880 2.7375165 -0.0019142 0.0579648 -0.0747771 2.5710206 2 Ca 2.5517328 0.2799382 -0.2555083 0.0794731 2.5450676 -0.0250853 0.0519966 0.0655818 2.4620561 3 Ca 2.3783320 -0.0097641 0.5928238 0.0265322 2.5914877 0.1519623 0.0196745 0.1343558 2.4363057 4 Ca 2.3783320 -0.0097641 0.5928238 0.0265322 2.5914877 0.1519623 0.0196745 0.1343558 2.4363057 5 Ca 2.5517328 0.2799382 -0.2555083 0.0794731 2.5450676 -0.0250853 0.0519966 0.0655818 2.4620561 6 Ca 2.5552335 -0.2799831 -0.1625300 0.0115880 2.7375165 -0.0019142 0.0579648 -0.0747771 2.5710206 7 Ca 2.5517328 -0.2799382 -0.2555083 -0.0794731 2.5450676 0.0250853 0.0519966 -0.0655818 2.4620561 8 Ca 2.5552335 0.2799831 -0.1625300 -0.0115880 2.7375165 0.0019142 0.0579648 0.0747771 2.5710206 9 Ca 2.3783320 0.0097641 0.5928238 -0.0265322 2.5914877 -0.1519623 0.0196745 -0.1343558 2.4363057 10 Ca 2.3783320 0.0097641 0.5928238 -0.0265322 2.5914877 -0.1519623 0.0196745 -0.1343558 2.4363057 11 Ca 2.5552335 0.2799831 -0.1625300 -0.0115880 2.7375165 0.0019142 0.0579648 0.0747771 2.5710206 12 Ca 2.5517328 -0.2799382 -0.2555083 -0.0794731 2.5450676 0.0250853 0.0519966 -0.0655818 2.4620561 13 Tl 2.8109835 0.0064386 -0.4421421 0.0667628 3.5716910 -0.0110217 -0.3100111 0.0142144 3.4169748 14 Tl 3.1953444 -0.0247811 -0.5258782 -0.0335100 3.7408383 -0.0350569 0.0474002 -0.0180614 3.5246903 15 Tl 3.4493967 0.0848189 0.6016746 -0.1064454 3.3371933 -0.0426879 -0.3190449 -0.2268895 3.7864742 16 Tl 3.4493967 0.0848189 0.6016746 -0.1064454 3.3371933 -0.0426879 -0.3190449 -0.2268895 3.7864742 17 Tl 3.1953444 -0.0247811 -0.5258782 -0.0335100 3.7408383 -0.0350569 0.0474002 -0.0180614 3.5246903 18 Tl 2.8109835 0.0064386 -0.4421421 0.0667628 3.5716910 -0.0110217 -0.3100111 0.0142144 3.4169748 19 Tl 2.6899077 0.2562296 -0.3203875 0.4211678 3.5649202 0.1989196 -0.0123017 0.0616103 3.6261158 20 Tl 2.6899077 -0.2562296 -0.3203875 -0.4211678 3.5649202 -0.1989196 -0.0123017 -0.0616103 3.6261158 21 Tl 2.8109835 -0.0064386 -0.4421421 -0.0667628 3.5716910 0.0110217 -0.3100111 -0.0142144 3.4169748 22 Tl 3.1953444 0.0247811 -0.5258782 0.0335100 3.7408383 0.0350569 0.0474002 0.0180614 3.5246903 23 Tl 3.4493967 -0.0848189 0.6016746 0.1064454 3.3371933 0.0426879 -0.3190449 0.2268895 3.7864742 24 Tl 3.4493967 -0.0848189 0.6016746 0.1064454 3.3371933 0.0426879 -0.3190449 0.2268895 3.7864742 25 Tl 3.1953444 0.0247811 -0.5258782 0.0335100 3.7408383 0.0350569 0.0474002 0.0180614 3.5246903 26 Tl 2.8109835 -0.0064386 -0.4421421 -0.0667628 3.5716910 0.0110217 -0.3100111 -0.0142144 3.4169748 27 Tl 2.6899077 0.2562296 -0.3203875 0.4211678 3.5649202 0.1989196 -0.0123017 0.0616103 3.6261158 28 Tl 2.6899077 -0.2562296 -0.3203875 -0.4211678 3.5649202 -0.1989196 -0.0123017 -0.0616103 3.6261158 29 O -2.1380018 -0.1439568 0.5678492 -0.2265856 -2.9042932 0.2159938 0.5338428 0.0876429 -2.4450616 30 O -2.0403291 0.1359505 0.4320348 0.3435946 -2.7852651 -0.2072416 0.2859057 -0.0330049 -2.5825625 31 O -2.6581347 0.0206576 0.0776761 0.0549224 -1.9290573 -0.0114516 -0.2080054 0.0001067 -2.1396867 32 O -3.1823069 -0.0212697 -0.4338591 -0.0984623 -1.7487823 -0.0658009 -0.4238930 0.0141314 -2.2011126 33 O -2.1034586 -0.0964665 0.0913140 -0.0419979 -2.2131063 0.1301434 0.0703018 0.2333318 -2.2578894 34 O -2.1787138 0.0764996 -0.0070358 -0.0093515 -2.2835447 -0.2207320 0.2013936 -0.2149150 -2.1838577 35 O -1.8001750 -0.0513996 0.0435130 -0.0634582 -2.5342611 0.0502570 0.1550001 0.0222061 -2.4783316 36 O -1.9389681 0.0455450 -0.0300916 0.0350052 -2.4872476 -0.0294748 0.1507546 -0.0180236 -2.5202801 37 O -1.9389681 0.0455450 -0.0300916 0.0350052 -2.4872476 -0.0294748 0.1507546 -0.0180236 -2.5202801 38 O -1.8001750 -0.0513996 0.0435130 -0.0634582 -2.5342611 0.0502570 0.1550001 0.0222061 -2.4783316 39 O -2.1034586 -0.0964665 0.0913140 -0.0419979 -2.2131063 0.1301434 0.0703018 0.2333318 -2.2578894 40 O -2.1787138 0.0764996 -0.0070358 -0.0093515 -2.2835447 -0.2207320 0.2013936 -0.2149150 -2.1838577 41 O -3.1823069 -0.0212697 -0.4338591 -0.0984623 -1.7487823 -0.0658009 -0.4238930 0.0141314 -2.2011126 42 O -2.6581347 0.0206576 0.0776761 0.0549224 -1.9290573 -0.0114516 -0.2080054 0.0001067 -2.1396867 43 O -2.0403291 0.1359505 0.4320348 0.3435946 -2.7852651 -0.2072416 0.2859057 -0.0330049 -2.5825625 44 O -2.1380018 -0.1439568 0.5678492 -0.2265856 -2.9042932 0.2159938 0.5338428 0.0876429 -2.4450616 45 O -1.5908424 -0.2433492 -0.2294530 -0.0839888 -3.2031569 -0.0832739 -0.3009787 -0.1219675 -3.0148552 46 O -1.5908424 0.2433492 -0.2294530 0.0839888 -3.2031569 0.0832739 -0.3009787 0.1219675 -3.0148552 47 O -2.1380018 0.1439568 0.5678492 0.2265856 -2.9042932 -0.2159938 0.5338428 -0.0876429 -2.4450616 48 O -2.0403291 -0.1359505 0.4320348 -0.3435946 -2.7852651 0.2072416 0.2859057 0.0330049 -2.5825625 49 O -2.6581347 -0.0206576 0.0776761 -0.0549224 -1.9290573 0.0114516 -0.2080054 -0.0001067 -2.1396867 50 O -3.1823069 0.0212697 -0.4338591 0.0984623 -1.7487823 0.0658009 -0.4238930 -0.0141314 -2.2011126 51 O -2.1034586 0.0964665 0.0913140 0.0419979 -2.2131063 -0.1301434 0.0703018 -0.2333318 -2.2578894 52 O -2.1787138 -0.0764996 -0.0070358 0.0093515 -2.2835447 0.2207320 0.2013936 0.2149150 -2.1838577 53 O -1.9389681 -0.0455450 -0.0300916 -0.0350052 -2.4872476 0.0294748 0.1507546 0.0180236 -2.5202801 54 O -1.8001750 0.0513996 0.0435130 0.0634582 -2.5342611 -0.0502570 0.1550001 -0.0222061 -2.4783316 55 O -1.8001750 0.0513996 0.0435130 0.0634582 -2.5342611 -0.0502570 0.1550001 -0.0222061 -2.4783316 56 O -1.9389681 -0.0455450 -0.0300916 -0.0350052 -2.4872476 0.0294748 0.1507546 0.0180236 -2.5202801 57 O -2.1034586 0.0964665 0.0913140 0.0419979 -2.2131063 -0.1301434 0.0703018 -0.2333318 -2.2578894 58 O -2.1787138 -0.0764996 -0.0070358 0.0093515 -2.2835447 0.2207320 0.2013936 0.2149150 -2.1838577 59 O -3.1823069 0.0212697 -0.4338591 0.0984623 -1.7487823 0.0658009 -0.4238930 -0.0141314 -2.2011126 60 O -2.6581347 -0.0206576 0.0776761 -0.0549224 -1.9290573 0.0114516 -0.2080054 -0.0001067 -2.1396867 61 O -2.0403291 -0.1359505 0.4320348 -0.3435946 -2.7852651 0.2072416 0.2859057 0.0330049 -2.5825625 62 O -2.1380018 0.1439568 0.5678492 0.2265856 -2.9042932 -0.2159938 0.5338428 -0.0876429 -2.4450616 63 O -1.5908424 0.2433492 -0.2294530 0.0839888 -3.2031569 0.0832739 -0.3009787 0.1219675 -3.0148552 64 O -1.5908424 -0.2433492 -0.2294530 -0.0839888 -3.2031569 -0.0832739 -0.3009787 -0.1219675 -3.0148552 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 221 eigenvectors found. (2) Block: 548 / 548 (2) 272 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 221 eigenvectors found. (2) Block: 548 / 548 (2) 272 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9360, 9217), data: False |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 82), data: (2048, 114) @ (114, 82) |-- (548, 518), data: False |-- (548, 25), data: (548, 55) @ (55, 25) |-- (298, 272), data: True |-- (250, 221), data: True |-- (500, 476), data: False |-- (500, 18), data: (500, 42) @ (42, 18) |-- (250, 232), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (2048, 2016), data: False |-- (2048, 82), data: (2048, 114) @ (114, 82) |-- (548, 518), data: False |-- (548, 25), data: (548, 55) @ (55, 25) |-- (298, 272), data: True |-- (250, 221), data: True |-- (500, 476), data: False |-- (500, 18), data: (500, 42) @ (42, 18) |-- (250, 232), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1920 - Time: 2.910 Solver_block: 200 / 1920 - Time: 2.530 Solver_block: 300 / 1920 - Time: 2.529 Solver_block: 400 / 1920 - Time: 2.527 Solver_block: 500 / 1920 - Time: 2.533 Solver_block: 600 / 1920 - Time: 2.527 Solver_block: 700 / 1920 - Time: 2.530 Solver_block: 800 / 1920 - Time: 2.531 Solver_block: 900 / 1920 - Time: 2.531 Solver_block: 1000 / 1920 - Time: 2.532 Solver_block: 1100 / 1920 - Time: 2.529 Solver_block: 1200 / 1920 - Time: 2.534 Solver_block: 1300 / 1920 - Time: 2.532 Solver_block: 1400 / 1920 - Time: 2.529 Solver_block: 1500 / 1920 - Time: 2.535 Solver_block: 1600 / 1920 - Time: 2.536 Solver_block: 1700 / 1920 - Time: 2.530 Solver_block: 1800 / 1920 - Time: 2.532 Solver_block: 1900 / 1920 - Time: 2.527 Solver_block: 1920 / 1920 - Time: 0.805 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 50.780 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 221 eigenvectors found. (2) Block: 548 / 548 (2) 272 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 221 eigenvectors found. (2) Block: 548 / 548 (2) 272 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 518 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 233 eigenvectors found. (2) Block: 548 / 548 (2) 285 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 531 eigenvectors found. (1) Complementary block size: 98 (1) Compute compressed projector. (1) Use standard solver. (1) 67 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 238 eigenvectors found. (2) Block: 500 / 572 (2) 241 eigenvectors found. (2) Block: 572 / 572 (2) 56 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. Tree of FC basis block matrices: - (9360, 9217), data: False |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 16), data: (1072, 32) @ (32, 16) |-- (572, 556), data: False |-- (572, 21), data: (572, 37) @ (37, 21) |-- (72, 56), data: True |-- (250, 241), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2017), data: False |-- (2048, 67), data: (2048, 98) @ (98, 67) |-- (548, 531), data: False |-- (548, 13), data: (548, 30) @ (30, 13) |-- (298, 285), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 29), data: (500, 60) @ (60, 29) |-- (250, 221), data: True |-- (250, 219), data: True |-- (2048, 2016), data: False |-- (2048, 82), data: (2048, 114) @ (114, 82) |-- (548, 518), data: False |-- (548, 25), data: (548, 55) @ (55, 25) |-- (298, 272), data: True |-- (250, 221), data: True |-- (500, 476), data: False |-- (500, 18), data: (500, 42) @ (42, 18) |-- (250, 232), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (2048, 2016), data: False |-- (2048, 82), data: (2048, 114) @ (114, 82) |-- (548, 518), data: False |-- (548, 25), data: (548, 55) @ (55, 25) |-- (298, 272), data: True |-- (250, 221), data: True |-- (500, 476), data: False |-- (500, 18), data: (500, 42) @ (42, 18) |-- (250, 232), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 00:37:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:37:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.302441350007145 0.000000000000000 0.000000000000000 b 0.000000000000000 6.653033410000000 0.000000000000000 c -2.447228293940783 0.000000000000000 10.849472332298367 Atomic positions (fractional): 1 Ca 0.79554865661053 0.87195293639830 0.80170676639950 40.078 2 Ca 0.78322616383905 0.37662585651908 0.79845460913760 40.078 3 Ca 0.37222609583488 0.12434943911180 0.98696517155013 40.078 4 Ca 0.62777390416512 0.87565056088820 0.01303482844986 40.078 5 Ca 0.21677383616095 0.62337414348092 0.20154539086240 40.078 6 Ca 0.20445134338947 0.12804706360170 0.19829323360050 40.078 7 Ca 0.78322616383905 0.12337414348092 0.29845460913760 40.078 8 Ca 0.79554865661053 0.62804706360170 0.30170676639950 40.078 9 Ca 0.37222609583488 0.37565056088820 0.48696517155014 40.078 10 Ca 0.62777390416512 0.62434943911180 0.51303482844987 40.078 11 Ca 0.20445134338947 0.37195293639830 0.69829323360050 40.078 12 Ca 0.21677383616095 0.87662585651908 0.70154539086240 40.078 13 Tl 0.06461663258403 0.12505217191653 0.89956122061241 204.383 14 Tl 0.06247963129351 0.62513870835202 0.90171935921853 204.383 15 Tl 0.37067199379723 0.62806388541447 0.99003993380324 204.383 16 Tl 0.62932800620276 0.37193611458553 0.00996006619676 204.383 17 Tl 0.93752036870649 0.37486129164798 0.09828064078147 204.383 18 Tl 0.93538336741596 0.87494782808347 0.10043877938759 204.383 19 Tl 0.49965660246640 0.87486573449292 0.25196204237070 204.383 20 Tl 0.50034339753360 0.37486573449292 0.24803795762930 204.383 21 Tl 0.06461663258403 0.37494782808347 0.39956122061241 204.383 22 Tl 0.06247963129351 0.87486129164798 0.40171935921853 204.383 23 Tl 0.37067199379723 0.87193611458553 0.49003993380324 204.383 24 Tl 0.62932800620276 0.12806388541447 0.50996006619676 204.383 25 Tl 0.93752036870649 0.12513870835202 0.59828064078147 204.383 26 Tl 0.93538336741596 0.62505217191653 0.60043877938759 204.383 27 Tl 0.50034339753360 0.12513426550708 0.74803795762930 204.383 28 Tl 0.49965660246640 0.62513426550708 0.75196204237070 204.383 29 O 0.44352696258365 0.87145132590065 0.87739379886167 15.999 30 O 0.45289287346403 0.37654435165718 0.88350703366584 15.999 31 O 0.21684506969240 0.12506523585170 0.84204068420018 15.999 32 O 0.22000129177071 0.62311725531684 0.84612602001507 15.999 33 O 0.66311186120511 0.62081618654747 0.87513166622342 15.999 34 O 0.66234564084254 0.12440443628420 0.87395712504676 15.999 35 O 0.89606742920839 0.62139561799057 0.94325518701172 15.999 36 O 0.89842096925674 0.12862488190567 0.94124687674161 15.999 37 O 0.10157903074326 0.87137511809433 0.05875312325839 15.999 38 O 0.10393257079161 0.37860438200943 0.05674481298828 15.999 39 O 0.33688813879489 0.37918381345253 0.12486833377658 15.999 40 O 0.33765435915747 0.87559556371580 0.12604287495324 15.999 41 O 0.77999870822929 0.37688274468316 0.15387397998493 15.999 42 O 0.78315493030760 0.87493476414830 0.15795931579982 15.999 43 O 0.54710712653597 0.62345564834281 0.11649296633416 15.999 44 O 0.55647303741635 0.12854867409935 0.12260620113833 15.999 45 O 0.99438605877180 0.62473894390341 0.25310920218144 15.999 46 O 0.00561394122820 0.12473894390341 0.24689079781856 15.999 47 O 0.44352696258365 0.62854867409935 0.37739379886167 15.999 48 O 0.45289287346403 0.12345564834281 0.38350703366584 15.999 49 O 0.21684506969240 0.37493476414830 0.34204068420018 15.999 50 O 0.22000129177071 0.87688274468316 0.34612602001507 15.999 51 O 0.66311186120511 0.87918381345253 0.37513166622342 15.999 52 O 0.66234564084254 0.37559556371580 0.37395712504676 15.999 53 O 0.89842096925674 0.37137511809433 0.44124687674161 15.999 54 O 0.89606742920839 0.87860438200943 0.44325518701172 15.999 55 O 0.10393257079161 0.12139561799057 0.55674481298828 15.999 56 O 0.10157903074326 0.62862488190567 0.55875312325839 15.999 57 O 0.33688813879489 0.12081618654747 0.62486833377658 15.999 58 O 0.33765435915747 0.62440443628420 0.62604287495324 15.999 59 O 0.77999870822929 0.12311725531684 0.65387397998493 15.999 60 O 0.78315493030760 0.62506523585170 0.65795931579982 15.999 61 O 0.54710712653597 0.87654435165719 0.61649296633416 15.999 62 O 0.55647303741635 0.37145132590065 0.62260620113833 15.999 63 O 0.99438605877180 0.87526105609659 0.75310920218144 15.999 64 O 0.00561394122820 0.37526105609659 0.74689079781856 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.302441350007145 0.000000000000000 0.000000000000000 b 0.000000000000000 13.306066820000000 0.000000000000000 c -2.447228293940783 0.000000000000000 10.849472332298367 Atomic positions (fractional): 1 Ca 0.79554865661053 0.43597646819915 0.80170676639950 40.078 > 1 2 Ca 0.79554865661053 0.93597646819915 0.80170676639950 40.078 > 1 3 Ca 0.78322616383905 0.18831292825954 0.79845460913760 40.078 > 3 4 Ca 0.78322616383905 0.68831292825954 0.79845460913760 40.078 > 3 5 Ca 0.37222609583488 0.06217471955590 0.98696517155013 40.078 > 5 6 Ca 0.37222609583488 0.56217471955590 0.98696517155013 40.078 > 5 7 Ca 0.62777390416512 0.43782528044410 0.01303482844986 40.078 > 7 8 Ca 0.62777390416512 0.93782528044410 0.01303482844986 40.078 > 7 9 Ca 0.21677383616095 0.31168707174046 0.20154539086240 40.078 > 9 10 Ca 0.21677383616095 0.81168707174046 0.20154539086240 40.078 > 9 11 Ca 0.20445134338947 0.06402353180085 0.19829323360050 40.078 > 11 12 Ca 0.20445134338947 0.56402353180085 0.19829323360050 40.078 > 11 13 Ca 0.78322616383905 0.06168707174046 0.29845460913760 40.078 > 13 14 Ca 0.78322616383905 0.56168707174046 0.29845460913760 40.078 > 13 15 Ca 0.79554865661053 0.31402353180085 0.30170676639950 40.078 > 15 16 Ca 0.79554865661053 0.81402353180085 0.30170676639950 40.078 > 15 17 Ca 0.37222609583488 0.18782528044410 0.48696517155014 40.078 > 17 18 Ca 0.37222609583488 0.68782528044410 0.48696517155014 40.078 > 17 19 Ca 0.62777390416512 0.31217471955590 0.51303482844987 40.078 > 19 20 Ca 0.62777390416512 0.81217471955590 0.51303482844987 40.078 > 19 21 Ca 0.20445134338947 0.18597646819915 0.69829323360050 40.078 > 21 22 Ca 0.20445134338947 0.68597646819915 0.69829323360050 40.078 > 21 23 Ca 0.21677383616095 0.43831292825954 0.70154539086240 40.078 > 23 24 Ca 0.21677383616095 0.93831292825954 0.70154539086240 40.078 > 23 25 Tl 0.06461663258403 0.06252608595827 0.89956122061241 204.383 > 25 26 Tl 0.06461663258403 0.56252608595827 0.89956122061241 204.383 > 25 27 Tl 0.06247963129351 0.31256935417601 0.90171935921853 204.383 > 27 28 Tl 0.06247963129351 0.81256935417601 0.90171935921853 204.383 > 27 29 Tl 0.37067199379723 0.31403194270723 0.99003993380324 204.383 > 29 30 Tl 0.37067199379723 0.81403194270723 0.99003993380324 204.383 > 29 31 Tl 0.62932800620276 0.18596805729277 0.00996006619676 204.383 > 31 32 Tl 0.62932800620276 0.68596805729277 0.00996006619676 204.383 > 31 33 Tl 0.93752036870649 0.18743064582399 0.09828064078147 204.383 > 33 34 Tl 0.93752036870649 0.68743064582399 0.09828064078147 204.383 > 33 35 Tl 0.93538336741596 0.43747391404174 0.10043877938759 204.383 > 35 36 Tl 0.93538336741596 0.93747391404173 0.10043877938759 204.383 > 35 37 Tl 0.49965660246640 0.43743286724646 0.25196204237070 204.383 > 37 38 Tl 0.49965660246640 0.93743286724646 0.25196204237070 204.383 > 37 39 Tl 0.50034339753360 0.18743286724646 0.24803795762930 204.383 > 39 40 Tl 0.50034339753360 0.68743286724646 0.24803795762930 204.383 > 39 41 Tl 0.06461663258403 0.18747391404173 0.39956122061241 204.383 > 41 42 Tl 0.06461663258403 0.68747391404173 0.39956122061241 204.383 > 41 43 Tl 0.06247963129351 0.43743064582399 0.40171935921853 204.383 > 43 44 Tl 0.06247963129351 0.93743064582399 0.40171935921853 204.383 > 43 45 Tl 0.37067199379723 0.43596805729277 0.49003993380324 204.383 > 45 46 Tl 0.37067199379723 0.93596805729277 0.49003993380324 204.383 > 45 47 Tl 0.62932800620276 0.06403194270723 0.50996006619676 204.383 > 47 48 Tl 0.62932800620276 0.56403194270723 0.50996006619676 204.383 > 47 49 Tl 0.93752036870649 0.06256935417601 0.59828064078147 204.383 > 49 50 Tl 0.93752036870649 0.56256935417601 0.59828064078147 204.383 > 49 51 Tl 0.93538336741596 0.31252608595826 0.60043877938759 204.383 > 51 52 Tl 0.93538336741596 0.81252608595827 0.60043877938759 204.383 > 51 53 Tl 0.50034339753360 0.06256713275354 0.74803795762930 204.383 > 53 54 Tl 0.50034339753360 0.56256713275354 0.74803795762930 204.383 > 53 55 Tl 0.49965660246640 0.31256713275354 0.75196204237070 204.383 > 55 56 Tl 0.49965660246640 0.81256713275354 0.75196204237070 204.383 > 55 57 O 0.44352696258365 0.43572566295033 0.87739379886167 15.999 > 57 58 O 0.44352696258365 0.93572566295033 0.87739379886167 15.999 > 57 59 O 0.45289287346403 0.18827217582859 0.88350703366584 15.999 > 59 60 O 0.45289287346403 0.68827217582859 0.88350703366584 15.999 > 59 61 O 0.21684506969240 0.06253261792585 0.84204068420018 15.999 > 61 62 O 0.21684506969240 0.56253261792585 0.84204068420018 15.999 > 61 63 O 0.22000129177071 0.31155862765842 0.84612602001507 15.999 > 63 64 O 0.22000129177071 0.81155862765842 0.84612602001507 15.999 > 63 65 O 0.66311186120511 0.31040809327373 0.87513166622342 15.999 > 65 66 O 0.66311186120511 0.81040809327373 0.87513166622342 15.999 > 65 67 O 0.66234564084254 0.06220221814210 0.87395712504676 15.999 > 67 68 O 0.66234564084254 0.56220221814210 0.87395712504676 15.999 > 67 69 O 0.89606742920839 0.31069780899528 0.94325518701172 15.999 > 69 70 O 0.89606742920839 0.81069780899528 0.94325518701172 15.999 > 69 71 O 0.89842096925674 0.06431244095284 0.94124687674161 15.999 > 71 72 O 0.89842096925674 0.56431244095284 0.94124687674161 15.999 > 71 73 O 0.10157903074326 0.43568755904716 0.05875312325839 15.999 > 73 74 O 0.10157903074326 0.93568755904716 0.05875312325839 15.999 > 73 75 O 0.10393257079161 0.18930219100472 0.05674481298828 15.999 > 75 76 O 0.10393257079161 0.68930219100472 0.05674481298828 15.999 > 75 77 O 0.33688813879489 0.18959190672627 0.12486833377658 15.999 > 77 78 O 0.33688813879489 0.68959190672627 0.12486833377658 15.999 > 77 79 O 0.33765435915747 0.43779778185790 0.12604287495324 15.999 > 79 80 O 0.33765435915747 0.93779778185790 0.12604287495324 15.999 > 79 81 O 0.77999870822929 0.18844137234158 0.15387397998493 15.999 > 81 82 O 0.77999870822929 0.68844137234158 0.15387397998493 15.999 > 81 83 O 0.78315493030760 0.43746738207415 0.15795931579982 15.999 > 83 84 O 0.78315493030760 0.93746738207415 0.15795931579982 15.999 > 83 85 O 0.54710712653597 0.31172782417141 0.11649296633416 15.999 > 85 86 O 0.54710712653597 0.81172782417141 0.11649296633416 15.999 > 85 87 O 0.55647303741635 0.06427433704967 0.12260620113833 15.999 > 87 88 O 0.55647303741635 0.56427433704967 0.12260620113833 15.999 > 87 89 O 0.99438605877180 0.31236947195171 0.25310920218144 15.999 > 89 90 O 0.99438605877180 0.81236947195171 0.25310920218144 15.999 > 89 91 O 0.00561394122820 0.06236947195171 0.24689079781856 15.999 > 91 92 O 0.00561394122820 0.56236947195171 0.24689079781856 15.999 > 91 93 O 0.44352696258365 0.31427433704967 0.37739379886167 15.999 > 93 94 O 0.44352696258365 0.81427433704967 0.37739379886167 15.999 > 93 95 O 0.45289287346403 0.06172782417141 0.38350703366584 15.999 > 95 96 O 0.45289287346403 0.56172782417141 0.38350703366584 15.999 > 95 97 O 0.21684506969240 0.18746738207415 0.34204068420018 15.999 > 97 98 O 0.21684506969240 0.68746738207415 0.34204068420018 15.999 > 97 99 O 0.22000129177071 0.43844137234158 0.34612602001507 15.999 > 99 100 O 0.22000129177071 0.93844137234158 0.34612602001507 15.999 > 99 101 O 0.66311186120511 0.43959190672627 0.37513166622342 15.999 > 101 102 O 0.66311186120511 0.93959190672627 0.37513166622342 15.999 > 101 103 O 0.66234564084254 0.18779778185790 0.37395712504676 15.999 > 103 104 O 0.66234564084254 0.68779778185790 0.37395712504676 15.999 > 103 105 O 0.89842096925674 0.18568755904716 0.44124687674161 15.999 > 105 106 O 0.89842096925674 0.68568755904716 0.44124687674161 15.999 > 105 107 O 0.89606742920839 0.43930219100472 0.44325518701172 15.999 > 107 108 O 0.89606742920839 0.93930219100472 0.44325518701172 15.999 > 107 109 O 0.10393257079161 0.06069780899528 0.55674481298828 15.999 > 109 110 O 0.10393257079161 0.56069780899528 0.55674481298828 15.999 > 109 111 O 0.10157903074326 0.31431244095284 0.55875312325839 15.999 > 111 112 O 0.10157903074326 0.81431244095284 0.55875312325839 15.999 > 111 113 O 0.33688813879489 0.06040809327373 0.62486833377658 15.999 > 113 114 O 0.33688813879489 0.56040809327373 0.62486833377658 15.999 > 113 115 O 0.33765435915747 0.31220221814210 0.62604287495324 15.999 > 115 116 O 0.33765435915747 0.81220221814210 0.62604287495324 15.999 > 115 117 O 0.77999870822929 0.06155862765842 0.65387397998493 15.999 > 117 118 O 0.77999870822929 0.56155862765842 0.65387397998493 15.999 > 117 119 O 0.78315493030760 0.31253261792585 0.65795931579982 15.999 > 119 120 O 0.78315493030760 0.81253261792585 0.65795931579982 15.999 > 119 121 O 0.54710712653597 0.43827217582859 0.61649296633416 15.999 > 121 122 O 0.54710712653597 0.93827217582859 0.61649296633416 15.999 > 121 123 O 0.55647303741635 0.18572566295033 0.62260620113833 15.999 > 123 124 O 0.55647303741635 0.68572566295033 0.62260620113833 15.999 > 123 125 O 0.99438605877180 0.43763052804829 0.75310920218144 15.999 > 125 126 O 0.99438605877180 0.93763052804829 0.75310920218144 15.999 > 125 127 O 0.00561394122820 0.18763052804829 0.74689079781856 15.999 > 127 128 O 0.00561394122820 0.68763052804829 0.74689079781856 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.8201813 0.0000000 0.0883701 0.0000000 6.4021214 0.0000000 0.0883705 0.0000000 6.6196005 -------------------------- Born effective charges -------------------------- 1 Ca 2.5552335 -0.2799831 -0.1625300 0.0115880 2.7375165 -0.0019142 0.0579648 -0.0747771 2.5710206 2 Ca 2.5517328 0.2799382 -0.2555083 0.0794731 2.5450676 -0.0250853 0.0519966 0.0655818 2.4620561 3 Ca 2.3783320 -0.0097641 0.5928238 0.0265322 2.5914877 0.1519623 0.0196745 0.1343558 2.4363057 4 Ca 2.3783320 -0.0097641 0.5928238 0.0265322 2.5914877 0.1519623 0.0196745 0.1343558 2.4363057 5 Ca 2.5517328 0.2799382 -0.2555083 0.0794731 2.5450676 -0.0250853 0.0519966 0.0655818 2.4620561 6 Ca 2.5552335 -0.2799831 -0.1625300 0.0115880 2.7375165 -0.0019142 0.0579648 -0.0747771 2.5710206 7 Ca 2.5517328 -0.2799382 -0.2555083 -0.0794731 2.5450676 0.0250853 0.0519966 -0.0655818 2.4620561 8 Ca 2.5552335 0.2799831 -0.1625300 -0.0115880 2.7375165 0.0019142 0.0579648 0.0747771 2.5710206 9 Ca 2.3783320 0.0097641 0.5928238 -0.0265322 2.5914877 -0.1519623 0.0196745 -0.1343558 2.4363057 10 Ca 2.3783320 0.0097641 0.5928238 -0.0265322 2.5914877 -0.1519623 0.0196745 -0.1343558 2.4363057 11 Ca 2.5552335 0.2799831 -0.1625300 -0.0115880 2.7375165 0.0019142 0.0579648 0.0747771 2.5710206 12 Ca 2.5517328 -0.2799382 -0.2555083 -0.0794731 2.5450676 0.0250853 0.0519966 -0.0655818 2.4620561 13 Tl 2.8109835 0.0064386 -0.4421421 0.0667628 3.5716910 -0.0110217 -0.3100111 0.0142144 3.4169748 14 Tl 3.1953444 -0.0247811 -0.5258782 -0.0335100 3.7408383 -0.0350569 0.0474002 -0.0180614 3.5246903 15 Tl 3.4493967 0.0848189 0.6016746 -0.1064454 3.3371933 -0.0426879 -0.3190449 -0.2268895 3.7864742 16 Tl 3.4493967 0.0848189 0.6016746 -0.1064454 3.3371933 -0.0426879 -0.3190449 -0.2268895 3.7864742 17 Tl 3.1953444 -0.0247811 -0.5258782 -0.0335100 3.7408383 -0.0350569 0.0474002 -0.0180614 3.5246903 18 Tl 2.8109835 0.0064386 -0.4421421 0.0667628 3.5716910 -0.0110217 -0.3100111 0.0142144 3.4169748 19 Tl 2.6899077 0.2562296 -0.3203875 0.4211678 3.5649202 0.1989196 -0.0123017 0.0616103 3.6261158 20 Tl 2.6899077 -0.2562296 -0.3203875 -0.4211678 3.5649202 -0.1989196 -0.0123017 -0.0616103 3.6261158 21 Tl 2.8109835 -0.0064386 -0.4421421 -0.0667628 3.5716910 0.0110217 -0.3100111 -0.0142144 3.4169748 22 Tl 3.1953444 0.0247811 -0.5258782 0.0335100 3.7408383 0.0350569 0.0474002 0.0180614 3.5246903 23 Tl 3.4493967 -0.0848189 0.6016746 0.1064454 3.3371933 0.0426879 -0.3190449 0.2268895 3.7864742 24 Tl 3.4493967 -0.0848189 0.6016746 0.1064454 3.3371933 0.0426879 -0.3190449 0.2268895 3.7864742 25 Tl 3.1953444 0.0247811 -0.5258782 0.0335100 3.7408383 0.0350569 0.0474002 0.0180614 3.5246903 26 Tl 2.8109835 -0.0064386 -0.4421421 -0.0667628 3.5716910 0.0110217 -0.3100111 -0.0142144 3.4169748 27 Tl 2.6899077 0.2562296 -0.3203875 0.4211678 3.5649202 0.1989196 -0.0123017 0.0616103 3.6261158 28 Tl 2.6899077 -0.2562296 -0.3203875 -0.4211678 3.5649202 -0.1989196 -0.0123017 -0.0616103 3.6261158 29 O -2.1380018 -0.1439568 0.5678492 -0.2265856 -2.9042932 0.2159938 0.5338428 0.0876429 -2.4450616 30 O -2.0403291 0.1359505 0.4320348 0.3435946 -2.7852651 -0.2072416 0.2859057 -0.0330049 -2.5825625 31 O -2.6581347 0.0206576 0.0776761 0.0549224 -1.9290573 -0.0114516 -0.2080054 0.0001067 -2.1396867 32 O -3.1823069 -0.0212697 -0.4338591 -0.0984623 -1.7487823 -0.0658009 -0.4238930 0.0141314 -2.2011126 33 O -2.1034586 -0.0964665 0.0913140 -0.0419979 -2.2131063 0.1301434 0.0703018 0.2333318 -2.2578894 34 O -2.1787138 0.0764996 -0.0070358 -0.0093515 -2.2835447 -0.2207320 0.2013936 -0.2149150 -2.1838577 35 O -1.8001750 -0.0513996 0.0435130 -0.0634582 -2.5342611 0.0502570 0.1550001 0.0222061 -2.4783316 36 O -1.9389681 0.0455450 -0.0300916 0.0350052 -2.4872476 -0.0294748 0.1507546 -0.0180236 -2.5202801 37 O -1.9389681 0.0455450 -0.0300916 0.0350052 -2.4872476 -0.0294748 0.1507546 -0.0180236 -2.5202801 38 O -1.8001750 -0.0513996 0.0435130 -0.0634582 -2.5342611 0.0502570 0.1550001 0.0222061 -2.4783316 39 O -2.1034586 -0.0964665 0.0913140 -0.0419979 -2.2131063 0.1301434 0.0703018 0.2333318 -2.2578894 40 O -2.1787138 0.0764996 -0.0070358 -0.0093515 -2.2835447 -0.2207320 0.2013936 -0.2149150 -2.1838577 41 O -3.1823069 -0.0212697 -0.4338591 -0.0984623 -1.7487823 -0.0658009 -0.4238930 0.0141314 -2.2011126 42 O -2.6581347 0.0206576 0.0776761 0.0549224 -1.9290573 -0.0114516 -0.2080054 0.0001067 -2.1396867 43 O -2.0403291 0.1359505 0.4320348 0.3435946 -2.7852651 -0.2072416 0.2859057 -0.0330049 -2.5825625 44 O -2.1380018 -0.1439568 0.5678492 -0.2265856 -2.9042932 0.2159938 0.5338428 0.0876429 -2.4450616 45 O -1.5908424 -0.2433492 -0.2294530 -0.0839888 -3.2031569 -0.0832739 -0.3009787 -0.1219675 -3.0148552 46 O -1.5908424 0.2433492 -0.2294530 0.0839888 -3.2031569 0.0832739 -0.3009787 0.1219675 -3.0148552 47 O -2.1380018 0.1439568 0.5678492 0.2265856 -2.9042932 -0.2159938 0.5338428 -0.0876429 -2.4450616 48 O -2.0403291 -0.1359505 0.4320348 -0.3435946 -2.7852651 0.2072416 0.2859057 0.0330049 -2.5825625 49 O -2.6581347 -0.0206576 0.0776761 -0.0549224 -1.9290573 0.0114516 -0.2080054 -0.0001067 -2.1396867 50 O -3.1823069 0.0212697 -0.4338591 0.0984623 -1.7487823 0.0658009 -0.4238930 -0.0141314 -2.2011126 51 O -2.1034586 0.0964665 0.0913140 0.0419979 -2.2131063 -0.1301434 0.0703018 -0.2333318 -2.2578894 52 O -2.1787138 -0.0764996 -0.0070358 0.0093515 -2.2835447 0.2207320 0.2013936 0.2149150 -2.1838577 53 O -1.9389681 -0.0455450 -0.0300916 -0.0350052 -2.4872476 0.0294748 0.1507546 0.0180236 -2.5202801 54 O -1.8001750 0.0513996 0.0435130 0.0634582 -2.5342611 -0.0502570 0.1550001 -0.0222061 -2.4783316 55 O -1.8001750 0.0513996 0.0435130 0.0634582 -2.5342611 -0.0502570 0.1550001 -0.0222061 -2.4783316 56 O -1.9389681 -0.0455450 -0.0300916 -0.0350052 -2.4872476 0.0294748 0.1507546 0.0180236 -2.5202801 57 O -2.1034586 0.0964665 0.0913140 0.0419979 -2.2131063 -0.1301434 0.0703018 -0.2333318 -2.2578894 58 O -2.1787138 -0.0764996 -0.0070358 0.0093515 -2.2835447 0.2207320 0.2013936 0.2149150 -2.1838577 59 O -3.1823069 0.0212697 -0.4338591 0.0984623 -1.7487823 0.0658009 -0.4238930 -0.0141314 -2.2011126 60 O -2.6581347 -0.0206576 0.0776761 -0.0549224 -1.9290573 0.0114516 -0.2080054 -0.0001067 -2.1396867 61 O -2.0403291 -0.1359505 0.4320348 -0.3435946 -2.7852651 0.2072416 0.2859057 0.0330049 -2.5825625 62 O -2.1380018 0.1439568 0.5678492 0.2265856 -2.9042932 -0.2159938 0.5338428 -0.0876429 -2.4450616 63 O -1.5908424 0.2433492 -0.2294530 0.0839888 -3.2031569 0.0832739 -0.3009787 0.1219675 -3.0148552 64 O -1.5908424 -0.2433492 -0.2294530 -0.0839888 -3.2031569 -0.0832739 -0.3009787 -0.1219675 -3.0148552 ---------------------------------------------------------------------------- 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 27, 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 29, 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 69, 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] 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] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0098] [ 0.0022 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:38:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:38:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.302441350007145 0.000000000000000 0.000000000000000 b 0.000000000000000 6.653033410000000 0.000000000000000 c -2.447228293940783 0.000000000000000 10.849472332298367 Atomic positions (fractional): 1 Ca 0.79554865661053 0.87195293639830 0.80170676639950 40.078 2 Ca 0.78322616383905 0.37662585651908 0.79845460913760 40.078 3 Ca 0.37222609583488 0.12434943911180 0.98696517155013 40.078 4 Ca 0.62777390416512 0.87565056088820 0.01303482844986 40.078 5 Ca 0.21677383616095 0.62337414348092 0.20154539086240 40.078 6 Ca 0.20445134338947 0.12804706360170 0.19829323360050 40.078 7 Ca 0.78322616383905 0.12337414348092 0.29845460913760 40.078 8 Ca 0.79554865661053 0.62804706360170 0.30170676639950 40.078 9 Ca 0.37222609583488 0.37565056088820 0.48696517155014 40.078 10 Ca 0.62777390416512 0.62434943911180 0.51303482844987 40.078 11 Ca 0.20445134338947 0.37195293639830 0.69829323360050 40.078 12 Ca 0.21677383616095 0.87662585651908 0.70154539086240 40.078 13 Tl 0.06461663258403 0.12505217191653 0.89956122061241 204.383 14 Tl 0.06247963129351 0.62513870835202 0.90171935921853 204.383 15 Tl 0.37067199379723 0.62806388541447 0.99003993380324 204.383 16 Tl 0.62932800620276 0.37193611458553 0.00996006619676 204.383 17 Tl 0.93752036870649 0.37486129164798 0.09828064078147 204.383 18 Tl 0.93538336741596 0.87494782808347 0.10043877938759 204.383 19 Tl 0.49965660246640 0.87486573449292 0.25196204237070 204.383 20 Tl 0.50034339753360 0.37486573449292 0.24803795762930 204.383 21 Tl 0.06461663258403 0.37494782808347 0.39956122061241 204.383 22 Tl 0.06247963129351 0.87486129164798 0.40171935921853 204.383 23 Tl 0.37067199379723 0.87193611458553 0.49003993380324 204.383 24 Tl 0.62932800620276 0.12806388541447 0.50996006619676 204.383 25 Tl 0.93752036870649 0.12513870835202 0.59828064078147 204.383 26 Tl 0.93538336741596 0.62505217191653 0.60043877938759 204.383 27 Tl 0.50034339753360 0.12513426550708 0.74803795762930 204.383 28 Tl 0.49965660246640 0.62513426550708 0.75196204237070 204.383 29 O 0.44352696258365 0.87145132590065 0.87739379886167 15.999 30 O 0.45289287346403 0.37654435165718 0.88350703366584 15.999 31 O 0.21684506969240 0.12506523585170 0.84204068420018 15.999 32 O 0.22000129177071 0.62311725531684 0.84612602001507 15.999 33 O 0.66311186120511 0.62081618654747 0.87513166622342 15.999 34 O 0.66234564084254 0.12440443628420 0.87395712504676 15.999 35 O 0.89606742920839 0.62139561799057 0.94325518701172 15.999 36 O 0.89842096925674 0.12862488190567 0.94124687674161 15.999 37 O 0.10157903074326 0.87137511809433 0.05875312325839 15.999 38 O 0.10393257079161 0.37860438200943 0.05674481298828 15.999 39 O 0.33688813879489 0.37918381345253 0.12486833377658 15.999 40 O 0.33765435915747 0.87559556371580 0.12604287495324 15.999 41 O 0.77999870822929 0.37688274468316 0.15387397998493 15.999 42 O 0.78315493030760 0.87493476414830 0.15795931579982 15.999 43 O 0.54710712653597 0.62345564834281 0.11649296633416 15.999 44 O 0.55647303741635 0.12854867409935 0.12260620113833 15.999 45 O 0.99438605877180 0.62473894390341 0.25310920218144 15.999 46 O 0.00561394122820 0.12473894390341 0.24689079781856 15.999 47 O 0.44352696258365 0.62854867409935 0.37739379886167 15.999 48 O 0.45289287346403 0.12345564834281 0.38350703366584 15.999 49 O 0.21684506969240 0.37493476414830 0.34204068420018 15.999 50 O 0.22000129177071 0.87688274468316 0.34612602001507 15.999 51 O 0.66311186120511 0.87918381345253 0.37513166622342 15.999 52 O 0.66234564084254 0.37559556371580 0.37395712504676 15.999 53 O 0.89842096925674 0.37137511809433 0.44124687674161 15.999 54 O 0.89606742920839 0.87860438200943 0.44325518701172 15.999 55 O 0.10393257079161 0.12139561799057 0.55674481298828 15.999 56 O 0.10157903074326 0.62862488190567 0.55875312325839 15.999 57 O 0.33688813879489 0.12081618654747 0.62486833377658 15.999 58 O 0.33765435915747 0.62440443628420 0.62604287495324 15.999 59 O 0.77999870822929 0.12311725531684 0.65387397998493 15.999 60 O 0.78315493030760 0.62506523585170 0.65795931579982 15.999 61 O 0.54710712653597 0.87654435165719 0.61649296633416 15.999 62 O 0.55647303741635 0.37145132590065 0.62260620113833 15.999 63 O 0.99438605877180 0.87526105609659 0.75310920218144 15.999 64 O 0.00561394122820 0.37526105609659 0.74689079781856 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.302441350007145 0.000000000000000 0.000000000000000 b 0.000000000000000 13.306066820000000 0.000000000000000 c -2.447228293940783 0.000000000000000 10.849472332298367 Atomic positions (fractional): 1 Ca 0.79554865661053 0.43597646819915 0.80170676639950 40.078 > 1 2 Ca 0.79554865661053 0.93597646819915 0.80170676639950 40.078 > 1 3 Ca 0.78322616383905 0.18831292825954 0.79845460913760 40.078 > 3 4 Ca 0.78322616383905 0.68831292825954 0.79845460913760 40.078 > 3 5 Ca 0.37222609583488 0.06217471955590 0.98696517155013 40.078 > 5 6 Ca 0.37222609583488 0.56217471955590 0.98696517155013 40.078 > 5 7 Ca 0.62777390416512 0.43782528044410 0.01303482844986 40.078 > 7 8 Ca 0.62777390416512 0.93782528044410 0.01303482844986 40.078 > 7 9 Ca 0.21677383616095 0.31168707174046 0.20154539086240 40.078 > 9 10 Ca 0.21677383616095 0.81168707174046 0.20154539086240 40.078 > 9 11 Ca 0.20445134338947 0.06402353180085 0.19829323360050 40.078 > 11 12 Ca 0.20445134338947 0.56402353180085 0.19829323360050 40.078 > 11 13 Ca 0.78322616383905 0.06168707174046 0.29845460913760 40.078 > 13 14 Ca 0.78322616383905 0.56168707174046 0.29845460913760 40.078 > 13 15 Ca 0.79554865661053 0.31402353180085 0.30170676639950 40.078 > 15 16 Ca 0.79554865661053 0.81402353180085 0.30170676639950 40.078 > 15 17 Ca 0.37222609583488 0.18782528044410 0.48696517155014 40.078 > 17 18 Ca 0.37222609583488 0.68782528044410 0.48696517155014 40.078 > 17 19 Ca 0.62777390416512 0.31217471955590 0.51303482844987 40.078 > 19 20 Ca 0.62777390416512 0.81217471955590 0.51303482844987 40.078 > 19 21 Ca 0.20445134338947 0.18597646819915 0.69829323360050 40.078 > 21 22 Ca 0.20445134338947 0.68597646819915 0.69829323360050 40.078 > 21 23 Ca 0.21677383616095 0.43831292825954 0.70154539086240 40.078 > 23 24 Ca 0.21677383616095 0.93831292825954 0.70154539086240 40.078 > 23 25 Tl 0.06461663258403 0.06252608595827 0.89956122061241 204.383 > 25 26 Tl 0.06461663258403 0.56252608595827 0.89956122061241 204.383 > 25 27 Tl 0.06247963129351 0.31256935417601 0.90171935921853 204.383 > 27 28 Tl 0.06247963129351 0.81256935417601 0.90171935921853 204.383 > 27 29 Tl 0.37067199379723 0.31403194270723 0.99003993380324 204.383 > 29 30 Tl 0.37067199379723 0.81403194270723 0.99003993380324 204.383 > 29 31 Tl 0.62932800620276 0.18596805729277 0.00996006619676 204.383 > 31 32 Tl 0.62932800620276 0.68596805729277 0.00996006619676 204.383 > 31 33 Tl 0.93752036870649 0.18743064582399 0.09828064078147 204.383 > 33 34 Tl 0.93752036870649 0.68743064582399 0.09828064078147 204.383 > 33 35 Tl 0.93538336741596 0.43747391404174 0.10043877938759 204.383 > 35 36 Tl 0.93538336741596 0.93747391404173 0.10043877938759 204.383 > 35 37 Tl 0.49965660246640 0.43743286724646 0.25196204237070 204.383 > 37 38 Tl 0.49965660246640 0.93743286724646 0.25196204237070 204.383 > 37 39 Tl 0.50034339753360 0.18743286724646 0.24803795762930 204.383 > 39 40 Tl 0.50034339753360 0.68743286724646 0.24803795762930 204.383 > 39 41 Tl 0.06461663258403 0.18747391404173 0.39956122061241 204.383 > 41 42 Tl 0.06461663258403 0.68747391404173 0.39956122061241 204.383 > 41 43 Tl 0.06247963129351 0.43743064582399 0.40171935921853 204.383 > 43 44 Tl 0.06247963129351 0.93743064582399 0.40171935921853 204.383 > 43 45 Tl 0.37067199379723 0.43596805729277 0.49003993380324 204.383 > 45 46 Tl 0.37067199379723 0.93596805729277 0.49003993380324 204.383 > 45 47 Tl 0.62932800620276 0.06403194270723 0.50996006619676 204.383 > 47 48 Tl 0.62932800620276 0.56403194270723 0.50996006619676 204.383 > 47 49 Tl 0.93752036870649 0.06256935417601 0.59828064078147 204.383 > 49 50 Tl 0.93752036870649 0.56256935417601 0.59828064078147 204.383 > 49 51 Tl 0.93538336741596 0.31252608595826 0.60043877938759 204.383 > 51 52 Tl 0.93538336741596 0.81252608595827 0.60043877938759 204.383 > 51 53 Tl 0.50034339753360 0.06256713275354 0.74803795762930 204.383 > 53 54 Tl 0.50034339753360 0.56256713275354 0.74803795762930 204.383 > 53 55 Tl 0.49965660246640 0.31256713275354 0.75196204237070 204.383 > 55 56 Tl 0.49965660246640 0.81256713275354 0.75196204237070 204.383 > 55 57 O 0.44352696258365 0.43572566295033 0.87739379886167 15.999 > 57 58 O 0.44352696258365 0.93572566295033 0.87739379886167 15.999 > 57 59 O 0.45289287346403 0.18827217582859 0.88350703366584 15.999 > 59 60 O 0.45289287346403 0.68827217582859 0.88350703366584 15.999 > 59 61 O 0.21684506969240 0.06253261792585 0.84204068420018 15.999 > 61 62 O 0.21684506969240 0.56253261792585 0.84204068420018 15.999 > 61 63 O 0.22000129177071 0.31155862765842 0.84612602001507 15.999 > 63 64 O 0.22000129177071 0.81155862765842 0.84612602001507 15.999 > 63 65 O 0.66311186120511 0.31040809327373 0.87513166622342 15.999 > 65 66 O 0.66311186120511 0.81040809327373 0.87513166622342 15.999 > 65 67 O 0.66234564084254 0.06220221814210 0.87395712504676 15.999 > 67 68 O 0.66234564084254 0.56220221814210 0.87395712504676 15.999 > 67 69 O 0.89606742920839 0.31069780899528 0.94325518701172 15.999 > 69 70 O 0.89606742920839 0.81069780899528 0.94325518701172 15.999 > 69 71 O 0.89842096925674 0.06431244095284 0.94124687674161 15.999 > 71 72 O 0.89842096925674 0.56431244095284 0.94124687674161 15.999 > 71 73 O 0.10157903074326 0.43568755904716 0.05875312325839 15.999 > 73 74 O 0.10157903074326 0.93568755904716 0.05875312325839 15.999 > 73 75 O 0.10393257079161 0.18930219100472 0.05674481298828 15.999 > 75 76 O 0.10393257079161 0.68930219100472 0.05674481298828 15.999 > 75 77 O 0.33688813879489 0.18959190672627 0.12486833377658 15.999 > 77 78 O 0.33688813879489 0.68959190672627 0.12486833377658 15.999 > 77 79 O 0.33765435915747 0.43779778185790 0.12604287495324 15.999 > 79 80 O 0.33765435915747 0.93779778185790 0.12604287495324 15.999 > 79 81 O 0.77999870822929 0.18844137234158 0.15387397998493 15.999 > 81 82 O 0.77999870822929 0.68844137234158 0.15387397998493 15.999 > 81 83 O 0.78315493030760 0.43746738207415 0.15795931579982 15.999 > 83 84 O 0.78315493030760 0.93746738207415 0.15795931579982 15.999 > 83 85 O 0.54710712653597 0.31172782417141 0.11649296633416 15.999 > 85 86 O 0.54710712653597 0.81172782417141 0.11649296633416 15.999 > 85 87 O 0.55647303741635 0.06427433704967 0.12260620113833 15.999 > 87 88 O 0.55647303741635 0.56427433704967 0.12260620113833 15.999 > 87 89 O 0.99438605877180 0.31236947195171 0.25310920218144 15.999 > 89 90 O 0.99438605877180 0.81236947195171 0.25310920218144 15.999 > 89 91 O 0.00561394122820 0.06236947195171 0.24689079781856 15.999 > 91 92 O 0.00561394122820 0.56236947195171 0.24689079781856 15.999 > 91 93 O 0.44352696258365 0.31427433704967 0.37739379886167 15.999 > 93 94 O 0.44352696258365 0.81427433704967 0.37739379886167 15.999 > 93 95 O 0.45289287346403 0.06172782417141 0.38350703366584 15.999 > 95 96 O 0.45289287346403 0.56172782417141 0.38350703366584 15.999 > 95 97 O 0.21684506969240 0.18746738207415 0.34204068420018 15.999 > 97 98 O 0.21684506969240 0.68746738207415 0.34204068420018 15.999 > 97 99 O 0.22000129177071 0.43844137234158 0.34612602001507 15.999 > 99 100 O 0.22000129177071 0.93844137234158 0.34612602001507 15.999 > 99 101 O 0.66311186120511 0.43959190672627 0.37513166622342 15.999 > 101 102 O 0.66311186120511 0.93959190672627 0.37513166622342 15.999 > 101 103 O 0.66234564084254 0.18779778185790 0.37395712504676 15.999 > 103 104 O 0.66234564084254 0.68779778185790 0.37395712504676 15.999 > 103 105 O 0.89842096925674 0.18568755904716 0.44124687674161 15.999 > 105 106 O 0.89842096925674 0.68568755904716 0.44124687674161 15.999 > 105 107 O 0.89606742920839 0.43930219100472 0.44325518701172 15.999 > 107 108 O 0.89606742920839 0.93930219100472 0.44325518701172 15.999 > 107 109 O 0.10393257079161 0.06069780899528 0.55674481298828 15.999 > 109 110 O 0.10393257079161 0.56069780899528 0.55674481298828 15.999 > 109 111 O 0.10157903074326 0.31431244095284 0.55875312325839 15.999 > 111 112 O 0.10157903074326 0.81431244095284 0.55875312325839 15.999 > 111 113 O 0.33688813879489 0.06040809327373 0.62486833377658 15.999 > 113 114 O 0.33688813879489 0.56040809327373 0.62486833377658 15.999 > 113 115 O 0.33765435915747 0.31220221814210 0.62604287495324 15.999 > 115 116 O 0.33765435915747 0.81220221814210 0.62604287495324 15.999 > 115 117 O 0.77999870822929 0.06155862765842 0.65387397998493 15.999 > 117 118 O 0.77999870822929 0.56155862765842 0.65387397998493 15.999 > 117 119 O 0.78315493030760 0.31253261792585 0.65795931579982 15.999 > 119 120 O 0.78315493030760 0.81253261792585 0.65795931579982 15.999 > 119 121 O 0.54710712653597 0.43827217582859 0.61649296633416 15.999 > 121 122 O 0.54710712653597 0.93827217582859 0.61649296633416 15.999 > 121 123 O 0.55647303741635 0.18572566295033 0.62260620113833 15.999 > 123 124 O 0.55647303741635 0.68572566295033 0.62260620113833 15.999 > 123 125 O 0.99438605877180 0.43763052804829 0.75310920218144 15.999 > 125 126 O 0.99438605877180 0.93763052804829 0.75310920218144 15.999 > 125 127 O 0.00561394122820 0.18763052804829 0.74689079781856 15.999 > 127 128 O 0.00561394122820 0.68763052804829 0.74689079781856 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.8201813 0.0000000 0.0883701 0.0000000 6.4021214 0.0000000 0.0883705 0.0000000 6.6196005 -------------------------- Born effective charges -------------------------- 1 Ca 2.5552335 -0.2799831 -0.1625300 0.0115880 2.7375165 -0.0019142 0.0579648 -0.0747771 2.5710206 2 Ca 2.5517328 0.2799382 -0.2555083 0.0794731 2.5450676 -0.0250853 0.0519966 0.0655818 2.4620561 3 Ca 2.3783320 -0.0097641 0.5928238 0.0265322 2.5914877 0.1519623 0.0196745 0.1343558 2.4363057 4 Ca 2.3783320 -0.0097641 0.5928238 0.0265322 2.5914877 0.1519623 0.0196745 0.1343558 2.4363057 5 Ca 2.5517328 0.2799382 -0.2555083 0.0794731 2.5450676 -0.0250853 0.0519966 0.0655818 2.4620561 6 Ca 2.5552335 -0.2799831 -0.1625300 0.0115880 2.7375165 -0.0019142 0.0579648 -0.0747771 2.5710206 7 Ca 2.5517328 -0.2799382 -0.2555083 -0.0794731 2.5450676 0.0250853 0.0519966 -0.0655818 2.4620561 8 Ca 2.5552335 0.2799831 -0.1625300 -0.0115880 2.7375165 0.0019142 0.0579648 0.0747771 2.5710206 9 Ca 2.3783320 0.0097641 0.5928238 -0.0265322 2.5914877 -0.1519623 0.0196745 -0.1343558 2.4363057 10 Ca 2.3783320 0.0097641 0.5928238 -0.0265322 2.5914877 -0.1519623 0.0196745 -0.1343558 2.4363057 11 Ca 2.5552335 0.2799831 -0.1625300 -0.0115880 2.7375165 0.0019142 0.0579648 0.0747771 2.5710206 12 Ca 2.5517328 -0.2799382 -0.2555083 -0.0794731 2.5450676 0.0250853 0.0519966 -0.0655818 2.4620561 13 Tl 2.8109835 0.0064386 -0.4421421 0.0667628 3.5716910 -0.0110217 -0.3100111 0.0142144 3.4169748 14 Tl 3.1953444 -0.0247811 -0.5258782 -0.0335100 3.7408383 -0.0350569 0.0474002 -0.0180614 3.5246903 15 Tl 3.4493967 0.0848189 0.6016746 -0.1064454 3.3371933 -0.0426879 -0.3190449 -0.2268895 3.7864742 16 Tl 3.4493967 0.0848189 0.6016746 -0.1064454 3.3371933 -0.0426879 -0.3190449 -0.2268895 3.7864742 17 Tl 3.1953444 -0.0247811 -0.5258782 -0.0335100 3.7408383 -0.0350569 0.0474002 -0.0180614 3.5246903 18 Tl 2.8109835 0.0064386 -0.4421421 0.0667628 3.5716910 -0.0110217 -0.3100111 0.0142144 3.4169748 19 Tl 2.6899077 0.2562296 -0.3203875 0.4211678 3.5649202 0.1989196 -0.0123017 0.0616103 3.6261158 20 Tl 2.6899077 -0.2562296 -0.3203875 -0.4211678 3.5649202 -0.1989196 -0.0123017 -0.0616103 3.6261158 21 Tl 2.8109835 -0.0064386 -0.4421421 -0.0667628 3.5716910 0.0110217 -0.3100111 -0.0142144 3.4169748 22 Tl 3.1953444 0.0247811 -0.5258782 0.0335100 3.7408383 0.0350569 0.0474002 0.0180614 3.5246903 23 Tl 3.4493967 -0.0848189 0.6016746 0.1064454 3.3371933 0.0426879 -0.3190449 0.2268895 3.7864742 24 Tl 3.4493967 -0.0848189 0.6016746 0.1064454 3.3371933 0.0426879 -0.3190449 0.2268895 3.7864742 25 Tl 3.1953444 0.0247811 -0.5258782 0.0335100 3.7408383 0.0350569 0.0474002 0.0180614 3.5246903 26 Tl 2.8109835 -0.0064386 -0.4421421 -0.0667628 3.5716910 0.0110217 -0.3100111 -0.0142144 3.4169748 27 Tl 2.6899077 0.2562296 -0.3203875 0.4211678 3.5649202 0.1989196 -0.0123017 0.0616103 3.6261158 28 Tl 2.6899077 -0.2562296 -0.3203875 -0.4211678 3.5649202 -0.1989196 -0.0123017 -0.0616103 3.6261158 29 O -2.1380018 -0.1439568 0.5678492 -0.2265856 -2.9042932 0.2159938 0.5338428 0.0876429 -2.4450616 30 O -2.0403291 0.1359505 0.4320348 0.3435946 -2.7852651 -0.2072416 0.2859057 -0.0330049 -2.5825625 31 O -2.6581347 0.0206576 0.0776761 0.0549224 -1.9290573 -0.0114516 -0.2080054 0.0001067 -2.1396867 32 O -3.1823069 -0.0212697 -0.4338591 -0.0984623 -1.7487823 -0.0658009 -0.4238930 0.0141314 -2.2011126 33 O -2.1034586 -0.0964665 0.0913140 -0.0419979 -2.2131063 0.1301434 0.0703018 0.2333318 -2.2578894 34 O -2.1787138 0.0764996 -0.0070358 -0.0093515 -2.2835447 -0.2207320 0.2013936 -0.2149150 -2.1838577 35 O -1.8001750 -0.0513996 0.0435130 -0.0634582 -2.5342611 0.0502570 0.1550001 0.0222061 -2.4783316 36 O -1.9389681 0.0455450 -0.0300916 0.0350052 -2.4872476 -0.0294748 0.1507546 -0.0180236 -2.5202801 37 O -1.9389681 0.0455450 -0.0300916 0.0350052 -2.4872476 -0.0294748 0.1507546 -0.0180236 -2.5202801 38 O -1.8001750 -0.0513996 0.0435130 -0.0634582 -2.5342611 0.0502570 0.1550001 0.0222061 -2.4783316 39 O -2.1034586 -0.0964665 0.0913140 -0.0419979 -2.2131063 0.1301434 0.0703018 0.2333318 -2.2578894 40 O -2.1787138 0.0764996 -0.0070358 -0.0093515 -2.2835447 -0.2207320 0.2013936 -0.2149150 -2.1838577 41 O -3.1823069 -0.0212697 -0.4338591 -0.0984623 -1.7487823 -0.0658009 -0.4238930 0.0141314 -2.2011126 42 O -2.6581347 0.0206576 0.0776761 0.0549224 -1.9290573 -0.0114516 -0.2080054 0.0001067 -2.1396867 43 O -2.0403291 0.1359505 0.4320348 0.3435946 -2.7852651 -0.2072416 0.2859057 -0.0330049 -2.5825625 44 O -2.1380018 -0.1439568 0.5678492 -0.2265856 -2.9042932 0.2159938 0.5338428 0.0876429 -2.4450616 45 O -1.5908424 -0.2433492 -0.2294530 -0.0839888 -3.2031569 -0.0832739 -0.3009787 -0.1219675 -3.0148552 46 O -1.5908424 0.2433492 -0.2294530 0.0839888 -3.2031569 0.0832739 -0.3009787 0.1219675 -3.0148552 47 O -2.1380018 0.1439568 0.5678492 0.2265856 -2.9042932 -0.2159938 0.5338428 -0.0876429 -2.4450616 48 O -2.0403291 -0.1359505 0.4320348 -0.3435946 -2.7852651 0.2072416 0.2859057 0.0330049 -2.5825625 49 O -2.6581347 -0.0206576 0.0776761 -0.0549224 -1.9290573 0.0114516 -0.2080054 -0.0001067 -2.1396867 50 O -3.1823069 0.0212697 -0.4338591 0.0984623 -1.7487823 0.0658009 -0.4238930 -0.0141314 -2.2011126 51 O -2.1034586 0.0964665 0.0913140 0.0419979 -2.2131063 -0.1301434 0.0703018 -0.2333318 -2.2578894 52 O -2.1787138 -0.0764996 -0.0070358 0.0093515 -2.2835447 0.2207320 0.2013936 0.2149150 -2.1838577 53 O -1.9389681 -0.0455450 -0.0300916 -0.0350052 -2.4872476 0.0294748 0.1507546 0.0180236 -2.5202801 54 O -1.8001750 0.0513996 0.0435130 0.0634582 -2.5342611 -0.0502570 0.1550001 -0.0222061 -2.4783316 55 O -1.8001750 0.0513996 0.0435130 0.0634582 -2.5342611 -0.0502570 0.1550001 -0.0222061 -2.4783316 56 O -1.9389681 -0.0455450 -0.0300916 -0.0350052 -2.4872476 0.0294748 0.1507546 0.0180236 -2.5202801 57 O -2.1034586 0.0964665 0.0913140 0.0419979 -2.2131063 -0.1301434 0.0703018 -0.2333318 -2.2578894 58 O -2.1787138 -0.0764996 -0.0070358 0.0093515 -2.2835447 0.2207320 0.2013936 0.2149150 -2.1838577 59 O -3.1823069 0.0212697 -0.4338591 0.0984623 -1.7487823 0.0658009 -0.4238930 -0.0141314 -2.2011126 60 O -2.6581347 -0.0206576 0.0776761 -0.0549224 -1.9290573 0.0114516 -0.2080054 -0.0001067 -2.1396867 61 O -2.0403291 -0.1359505 0.4320348 -0.3435946 -2.7852651 0.2072416 0.2859057 0.0330049 -2.5825625 62 O -2.1380018 0.1439568 0.5678492 0.2265856 -2.9042932 -0.2159938 0.5338428 -0.0876429 -2.4450616 63 O -1.5908424 0.2433492 -0.2294530 0.0839888 -3.2031569 0.0832739 -0.3009787 0.1219675 -3.0148552 64 O -1.5908424 -0.2433492 -0.2294530 -0.0839888 -3.2031569 -0.0832739 -0.3009787 -0.1219675 -3.0148552 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 4 8 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: 0.43, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/55) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.838 ( 0.000 0.000 0.000) 0.000 1.480 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 1.760 ( 0.000 0.000 0.000) 0.000 1.802 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 0.000) 0.000 2.117 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.253 ( 0.000 0.000 0.000) 0.000 2.263 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.447 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.723 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.106 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.224 ( 0.000 0.000 0.000) 0.000 3.233 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.763 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.822 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.529 ( 0.000 0.000 0.000) 0.000 6.569 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.788 ( 0.000 0.000 0.000) 0.000 6.798 ( 0.000 0.000 0.000) 0.000 6.983 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.354 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.534 ( 0.000 0.000 0.000) 0.000 7.770 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 0.000) 0.000 7.959 ( 0.000 0.000 0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.074 ( 0.000 0.000 0.000) 0.000 8.141 ( 0.000 0.000 0.000) 0.000 8.154 ( 0.000 0.000 0.000) 0.000 8.277 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.488 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.584 ( 0.000 0.000 0.000) 0.000 8.651 ( 0.000 0.000 0.000) 0.000 8.651 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 8.799 ( 0.000 0.000 0.000) 0.000 8.870 ( 0.000 0.000 0.000) 0.000 8.901 ( 0.000 0.000 0.000) 0.000 8.929 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 9.057 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 0.000) 0.000 9.348 ( 0.000 0.000 0.000) 0.000 9.374 ( 0.000 0.000 0.000) 0.000 9.455 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 9.864 ( 0.000 0.000 0.000) 0.000 9.865 ( 0.000 0.000 0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 9.988 ( 0.000 0.000 0.000) 0.000 10.061 ( 0.000 0.000 0.000) 0.000 10.083 ( 0.000 0.000 0.000) 0.000 10.094 ( 0.000 0.000 0.000) 0.000 10.177 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.397 ( 0.000 0.000 0.000) 0.000 10.534 ( 0.000 0.000 0.000) 0.000 10.766 ( 0.000 0.000 0.000) 0.000 10.901 ( 0.000 0.000 0.000) 0.000 11.152 ( 0.000 0.000 0.000) 0.000 11.205 ( 0.000 0.000 0.000) 0.000 11.248 ( 0.000 0.000 0.000) 0.000 11.349 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 11.412 ( 0.000 0.000 0.000) 0.000 11.539 ( 0.000 0.000 0.000) 0.000 11.650 ( 0.000 0.000 0.000) 0.000 11.712 ( 0.000 0.000 0.000) 0.000 11.766 ( 0.000 0.000 0.000) 0.000 11.788 ( 0.000 0.000 0.000) 0.000 11.805 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 12.087 ( 0.000 0.000 0.000) 0.000 12.260 ( 0.000 0.000 0.000) 0.000 12.293 ( 0.000 0.000 0.000) 0.000 12.476 ( 0.000 0.000 0.000) 0.000 12.494 ( 0.000 0.000 0.000) 0.000 12.510 ( 0.000 0.000 0.000) 0.000 12.572 ( 0.000 0.000 0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 12.782 ( 0.000 0.000 0.000) 0.000 12.920 ( 0.000 0.000 0.000) 0.000 12.941 ( 0.000 0.000 0.000) 0.000 13.256 ( 0.000 0.000 0.000) 0.000 13.393 ( 0.000 0.000 0.000) 0.000 13.456 ( 0.000 0.000 0.000) 0.000 13.495 ( 0.000 0.000 0.000) 0.000 13.622 ( 0.000 0.000 0.000) 0.000 13.627 ( 0.000 0.000 0.000) 0.000 13.634 ( 0.000 0.000 0.000) 0.000 13.695 ( 0.000 0.000 0.000) 0.000 13.952 ( 0.000 0.000 0.000) 0.000 14.101 ( 0.000 0.000 0.000) 0.000 14.121 ( 0.000 0.000 0.000) 0.000 14.300 ( 0.000 0.000 0.000) 0.000 14.461 ( 0.000 0.000 0.000) 0.000 14.715 ( 0.000 0.000 0.000) 0.000 14.774 ( 0.000 0.000 0.000) 0.000 14.874 ( 0.000 0.000 0.000) 0.000 14.889 ( 0.000 0.000 0.000) 0.000 15.211 ( 0.000 0.000 0.000) 0.000 15.490 ( 0.000 0.000 0.000) 0.000 15.605 ( 0.000 0.000 0.000) 0.000 15.906 ( 0.000 0.000 0.000) 0.000 16.394 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/55) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( 14.145 0.000 4.702) 14.906 0.508 ( 24.209 0.000 1.617) 24.263 0.778 ( -5.487 0.000 -1.895) 5.805 0.907 ( 39.679 0.000 11.794) 41.394 1.418 ( -15.341 0.000 0.271) 15.344 1.637 ( 0.012 0.000 0.614) 0.614 1.654 ( -3.053 0.000 -10.627) 11.057 1.735 ( 1.074 0.000 -2.206) 2.454 1.794 ( -1.163 0.000 2.290) 2.568 1.871 ( -0.277 0.000 -0.938) 0.978 1.885 ( -11.407 0.000 7.195) 13.486 2.023 ( 3.649 0.000 7.254) 8.120 2.100 ( -2.267 0.000 -1.725) 2.848 2.106 ( -0.430 0.000 -0.254) 0.499 2.140 ( -0.755 0.000 0.242) 0.793 2.177 ( 0.170 0.000 -2.190) 2.196 2.200 ( -0.395 0.000 -0.724) 0.825 2.212 ( -0.767 0.000 1.652) 1.821 2.228 ( 0.575 0.000 0.374) 0.686 2.285 ( 0.217 0.000 0.944) 0.969 2.303 ( -0.273 0.000 0.858) 0.900 2.311 ( 2.814 0.000 -0.427) 2.847 2.446 ( -16.489 0.000 -8.436) 18.522 2.465 ( -0.126 0.000 1.254) 1.261 2.500 ( -2.427 0.000 -5.464) 5.978 2.637 ( -2.923 0.000 2.878) 4.102 2.679 ( -3.078 0.000 -1.719) 3.525 2.721 ( 1.514 0.000 3.032) 3.389 2.754 ( 3.751 0.000 -2.380) 4.442 2.790 ( 1.645 0.000 -0.737) 1.803 2.824 ( 0.699 0.000 -3.833) 3.896 2.867 ( -3.389 0.000 1.895) 3.883 2.879 ( -1.580 0.000 -1.116) 1.934 3.013 ( 0.582 0.000 0.166) 0.605 3.087 ( -1.245 0.000 -0.805) 1.483 3.093 ( -3.642 0.000 6.069) 7.078 3.140 ( 0.946 0.000 2.173) 2.370 3.151 ( -0.214 0.000 -1.482) 1.497 3.206 ( 3.525 0.000 -0.700) 3.593 3.213 ( -0.236 0.000 -1.104) 1.128 3.235 ( -1.121 0.000 -0.102) 1.125 3.259 ( 1.132 0.000 -0.724) 1.343 3.277 ( -0.059 0.000 3.076) 3.076 3.294 ( 0.362 0.000 -0.124) 0.382 3.346 ( 3.643 0.000 1.308) 3.870 3.425 ( 1.695 0.000 0.651) 1.816 3.480 ( 3.679 0.000 -0.768) 3.759 3.482 ( -1.437 0.000 -2.579) 2.952 3.601 ( -1.090 0.000 1.276) 1.678 3.736 ( -2.476 0.000 1.234) 2.766 3.760 ( 3.674 0.000 -5.991) 7.028 3.839 ( -3.135 0.000 0.050) 3.135 3.992 ( 2.900 0.000 2.917) 4.113 4.247 ( -2.296 0.000 5.029) 5.528 4.258 ( 1.394 0.000 -1.948) 2.395 4.381 ( 2.620 0.000 -0.451) 2.659 4.461 ( -0.494 0.000 -1.371) 1.457 4.629 ( 6.106 0.000 3.057) 6.828 4.641 ( 1.299 0.000 3.238) 3.488 4.647 ( -0.214 0.000 -6.269) 6.273 4.832 ( -6.825 0.000 -3.543) 7.690 4.857 ( -3.620 0.000 -11.622) 12.173 4.988 ( 0.234 0.000 -1.476) 1.495 5.059 ( 0.242 0.000 -0.520) 0.574 5.144 ( 9.758 0.000 0.296) 9.763 5.212 ( -0.449 0.000 -7.983) 7.996 5.323 ( 1.291 0.000 -3.784) 3.998 5.361 ( -3.892 0.000 4.396) 5.871 5.471 ( 3.781 0.000 -0.613) 3.831 5.735 ( 7.534 0.000 0.832) 7.580 5.761 ( 8.451 0.000 18.589) 20.420 5.845 ( 5.207 0.000 -14.907) 15.791 5.971 ( 5.545 0.000 -2.548) 6.102 6.079 ( -5.371 0.000 -0.175) 5.374 6.126 ( 2.562 0.000 1.058) 2.772 6.155 ( -0.870 0.000 -0.506) 1.007 6.285 ( 2.754 0.000 1.112) 2.970 6.301 ( -1.345 0.000 -3.849) 4.078 6.430 ( -4.582 0.000 -10.036) 11.032 6.452 ( -3.195 0.000 -1.251) 3.431 6.476 ( -2.371 0.000 1.173) 2.646 6.642 ( 3.535 0.000 1.838) 3.984 6.651 ( 0.045 0.000 -0.430) 0.433 6.784 ( -0.239 0.000 2.210) 2.223 6.844 ( 2.328 0.000 -12.221) 12.441 6.922 ( -1.963 0.000 -3.267) 3.811 7.001 ( -0.707 0.000 3.442) 3.514 7.037 ( -5.009 0.000 -0.977) 5.103 7.092 ( -3.747 0.000 -2.431) 4.466 7.303 ( 9.485 0.000 6.260) 11.365 7.354 ( 0.424 0.000 -0.747) 0.858 7.390 ( 1.704 0.000 -1.134) 2.046 7.427 ( -3.002 0.000 2.425) 3.859 7.496 ( 0.945 0.000 -0.938) 1.332 7.521 ( 1.235 0.000 -2.695) 2.964 7.545 ( 3.025 0.000 1.605) 3.424 7.591 ( -3.635 0.000 9.064) 9.766 7.817 ( 3.141 0.000 2.712) 4.149 7.935 ( 4.120 0.000 6.623) 7.800 7.939 ( -0.384 0.000 -0.926) 1.002 7.980 ( 1.158 0.000 -2.553) 2.803 7.995 ( -3.591 0.000 3.293) 4.872 8.016 ( 0.019 0.000 1.695) 1.695 8.073 ( -0.926 0.000 2.895) 3.039 8.169 ( 2.139 0.000 -2.661) 3.414 8.237 ( 5.056 0.000 -2.432) 5.610 8.269 ( -13.587 0.000 2.733) 13.859 8.348 ( -5.071 0.000 0.236) 5.076 8.426 ( -2.574 0.000 3.280) 4.170 8.482 ( 2.260 0.000 1.092) 2.511 8.525 ( -0.143 0.000 -0.903) 0.915 8.552 ( -3.039 0.000 -1.781) 3.523 8.583 ( 2.688 0.000 -3.519) 4.429 8.620 ( -2.213 0.000 1.791) 2.847 8.691 ( 0.292 0.000 1.567) 1.594 8.756 ( -1.001 0.000 4.940) 5.040 8.768 ( -5.196 0.000 4.681) 6.994 8.800 ( 2.820 0.000 1.369) 3.135 8.917 ( -0.137 0.000 -0.370) 0.395 8.921 ( 2.129 0.000 -0.016) 2.129 9.008 ( -2.032 0.000 -1.622) 2.600 9.040 ( -1.313 0.000 2.202) 2.564 9.070 ( 1.456 0.000 6.171) 6.341 9.132 ( -8.351 0.000 -4.986) 9.726 9.285 ( 5.190 0.000 15.570) 16.412 9.320 ( 0.241 0.000 -4.775) 4.781 9.399 ( 5.120 0.000 1.298) 5.282 9.443 ( 4.778 0.000 6.430) 8.011 9.510 ( 6.705 0.000 -0.427) 6.719 9.724 ( -3.008 0.000 0.871) 3.132 9.818 ( -1.905 0.000 -8.510) 8.721 9.828 ( 11.321 0.000 -23.424) 26.016 9.880 ( -3.301 0.000 -7.345) 8.053 9.883 ( -2.485 0.000 4.559) 5.192 9.981 ( 5.477 0.000 3.351) 6.421 10.015 ( 7.264 0.000 -0.982) 7.331 10.079 ( 0.984 0.000 -3.696) 3.825 10.099 ( -16.061 0.000 3.966) 16.543 10.145 ( 1.388 0.000 -4.651) 4.854 10.241 ( 5.485 0.000 1.593) 5.712 10.253 ( 6.467 0.000 6.334) 9.052 10.409 ( -3.066 0.000 13.367) 13.714 10.454 ( 1.211 0.000 8.401) 8.488 10.606 ( 0.141 0.000 4.649) 4.651 10.785 ( 0.846 0.000 -3.726) 3.821 10.821 ( -8.101 0.000 -9.317) 12.346 11.066 ( -13.697 0.000 -0.537) 13.708 11.151 ( -13.845 0.000 0.950) 13.878 11.233 ( -7.944 0.000 -3.554) 8.703 11.320 ( 5.291 0.000 -0.253) 5.297 11.345 ( 4.469 0.000 2.717) 5.230 11.461 ( 1.597 0.000 0.499) 1.673 11.490 ( -2.380 0.000 0.011) 2.380 11.584 ( -2.608 0.000 -2.219) 3.424 11.640 ( -4.183 0.000 -2.381) 4.813 11.694 ( -0.444 0.000 -2.501) 2.540 11.827 ( -0.762 0.000 0.306) 0.821 11.836 ( -1.887 0.000 -0.117) 1.891 12.165 ( -2.489 0.000 -7.581) 7.980 12.199 ( 5.730 0.000 9.471) 11.070 12.254 ( -1.909 0.000 1.105) 2.206 12.280 ( -1.943 0.000 0.392) 1.982 12.379 ( -3.040 0.000 -2.227) 3.769 12.440 ( -5.776 0.000 -1.625) 6.000 12.626 ( -1.963 0.000 -4.992) 5.364 12.745 ( 15.570 0.000 -2.121) 15.714 12.792 ( 8.564 0.000 -1.129) 8.638 12.923 ( 5.959 0.000 1.040) 6.049 12.993 ( 7.716 0.000 -1.024) 7.784 13.281 ( -1.258 0.000 0.180) 1.270 13.300 ( -1.957 0.000 3.902) 4.366 13.492 ( 1.539 0.000 -2.168) 2.659 13.506 ( -1.662 0.000 1.966) 2.575 13.587 ( -1.825 0.000 0.561) 1.910 13.613 ( -1.566 0.000 -3.754) 4.068 13.624 ( -0.228 0.000 -0.556) 0.601 13.652 ( 1.435 0.000 -1.522) 2.091 13.724 ( -2.484 0.000 5.352) 5.901 13.882 ( -6.545 0.000 1.898) 6.815 14.121 ( -0.441 0.000 -0.569) 0.719 14.176 ( 6.272 0.000 0.244) 6.277 14.369 ( 6.193 0.000 2.945) 6.858 14.684 ( -4.261 0.000 -0.261) 4.269 14.712 ( -5.967 0.000 5.837) 8.347 14.810 ( 2.561 0.000 -2.102) 3.313 14.826 ( -3.957 0.000 -1.231) 4.144 14.961 ( -1.645 0.000 5.620) 5.856 15.152 ( -0.836 0.000 -2.854) 2.974 15.641 ( 8.664 0.000 2.647) 9.059 15.893 ( -1.209 0.000 -0.535) 1.322 16.370 ( 0.091 0.000 -2.548) 2.550 16.401 ( 0.923 0.000 -2.478) 2.644 ======================= Grid point 2 (3/55) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -0.000 0.000 -0.000) 0.000 0.605 ( 0.000 0.000 0.000) 0.000 0.954 ( 0.000 0.000 -0.000) 0.000 1.026 ( -0.000 0.000 0.000) 0.000 1.604 ( 0.000 0.000 -0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.729 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 -0.000) 0.000 1.747 ( -0.000 0.000 -0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 -0.000) 0.000 1.867 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.115 ( 0.000 0.000 -0.000) 0.000 2.133 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 -0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 -0.000) 0.000 2.494 ( 0.000 0.000 -0.000) 0.000 2.602 ( 0.000 0.000 -0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 -0.000) 0.000 2.825 ( 0.000 0.000 -0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 -0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 -0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 -0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.210 ( -0.000 0.000 -0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 -0.000) 0.000 3.314 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 -0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 3.556 ( 0.000 0.000 -0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 -0.000) 0.000 3.807 ( 0.000 0.000 -0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.219 ( 0.000 0.000 0.000) 0.000 4.269 ( 0.000 0.000 -0.000) 0.000 4.407 ( 0.000 0.000 -0.000) 0.000 4.451 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 4.698 ( 0.000 0.000 -0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 -0.000) 0.000 5.328 ( 0.000 0.000 -0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.942 ( 0.000 0.000 -0.000) 0.000 5.979 ( 0.000 0.000 -0.000) 0.000 6.062 ( 0.000 0.000 0.000) 0.000 6.125 ( -0.000 0.000 -0.000) 0.000 6.202 ( -0.000 0.000 -0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.414 ( 0.000 0.000 -0.000) 0.000 6.492 ( 0.000 0.000 -0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.799 ( 0.000 0.000 0.000) 0.000 6.827 ( 0.000 0.000 -0.000) 0.000 6.893 ( 0.000 0.000 -0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 6.999 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.360 ( 0.000 0.000 0.000) 0.000 7.381 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 -0.000) 0.000 7.523 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.884 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 -0.000) 0.000 7.924 ( 0.000 0.000 -0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.073 ( 0.000 0.000 0.000) 0.000 8.139 ( -0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 -0.000) 0.000 8.190 ( 0.000 0.000 0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.390 ( -0.000 0.000 -0.000) 0.000 8.426 ( 0.000 0.000 0.000) 0.000 8.537 ( 0.000 0.000 0.000) 0.000 8.545 ( 0.000 0.000 0.000) 0.000 8.588 ( 0.000 0.000 -0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.660 ( -0.000 0.000 0.000) 0.000 8.686 ( -0.000 0.000 -0.000) 0.000 8.739 ( -0.000 0.000 0.000) 0.000 8.769 ( 0.000 0.000 -0.000) 0.000 8.914 ( 0.000 0.000 -0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 8.957 ( 0.000 0.000 0.000) 0.000 9.028 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 -0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.381 ( 0.000 0.000 -0.000) 0.000 9.471 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.670 ( -0.000 0.000 -0.000) 0.000 9.726 ( -0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 -0.000) 0.000 9.837 ( 0.000 0.000 -0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 -0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 -0.000) 0.000 10.185 ( 0.000 0.000 0.000) 0.000 10.199 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 -0.000) 0.000 10.285 ( -0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.496 ( 0.000 0.000 -0.000) 0.000 10.544 ( 0.000 0.000 0.000) 0.000 10.598 ( -0.000 0.000 -0.000) 0.000 10.688 ( 0.000 0.000 -0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.026 ( 0.000 0.000 0.000) 0.000 11.186 ( 0.000 0.000 -0.000) 0.000 11.402 ( 0.000 0.000 -0.000) 0.000 11.403 ( 0.000 0.000 0.000) 0.000 11.460 ( 0.000 0.000 0.000) 0.000 11.473 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 11.573 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 -0.000) 0.000 11.793 ( 0.000 0.000 0.000) 0.000 11.809 ( 0.000 0.000 -0.000) 0.000 12.110 ( 0.000 0.000 -0.000) 0.000 12.227 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.259 ( 0.000 0.000 0.000) 0.000 12.380 ( 0.000 0.000 0.000) 0.000 12.403 ( 0.000 0.000 0.000) 0.000 12.540 ( 0.000 0.000 -0.000) 0.000 12.880 ( 0.000 0.000 0.000) 0.000 12.884 ( 0.000 0.000 0.000) 0.000 13.094 ( 0.000 0.000 0.000) 0.000 13.150 ( 0.000 0.000 0.000) 0.000 13.168 ( 0.000 0.000 0.000) 0.000 13.335 ( 0.000 0.000 -0.000) 0.000 13.434 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.570 ( 0.000 0.000 -0.000) 0.000 13.592 ( 0.000 0.000 0.000) 0.000 13.620 ( 0.000 0.000 0.000) 0.000 13.665 ( 0.000 0.000 0.000) 0.000 13.714 ( 0.000 0.000 0.000) 0.000 13.793 ( 0.000 0.000 0.000) 0.000 14.109 ( 0.000 0.000 0.000) 0.000 14.270 ( 0.000 0.000 -0.000) 0.000 14.536 ( -0.000 0.000 -0.000) 0.000 14.539 ( 0.000 0.000 0.000) 0.000 14.640 ( 0.000 0.000 -0.000) 0.000 14.787 ( 0.000 0.000 -0.000) 0.000 14.840 ( 0.000 0.000 0.000) 0.000 14.953 ( 0.000 0.000 -0.000) 0.000 15.148 ( 0.000 0.000 0.000) 0.000 15.755 ( 0.000 0.000 0.000) 0.000 15.866 ( 0.000 0.000 0.000) 0.000 16.365 ( 0.000 0.000 -0.000) 0.000 16.405 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/55) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.306 ( 0.000 17.623 0.000) 17.623 0.436 ( 0.000 23.588 0.000) 23.588 0.888 ( 0.000 45.151 0.000) 45.151 1.103 ( 0.000 23.874 0.000) 23.874 1.515 ( 0.000 3.700 0.000) 3.700 1.707 ( 0.000 6.908 0.000) 6.908 1.732 ( 0.000 -1.527 0.000) 1.527 1.838 ( 0.000 9.667 0.000) 9.667 1.878 ( 0.000 7.559 0.000) 7.559 1.930 ( 0.000 2.014 0.000) 2.014 1.966 ( 0.000 7.390 0.000) 7.390 2.035 ( 0.000 1.101 0.000) 1.101 2.086 ( 0.000 -3.113 0.000) 3.113 2.152 ( 0.000 3.016 0.000) 3.016 2.170 ( 0.000 -1.683 0.000) 1.683 2.179 ( 0.000 -1.167 0.000) 1.167 2.199 ( 0.000 0.049 0.000) 0.049 2.232 ( 0.000 0.548 0.000) 0.548 2.247 ( 0.000 4.532 0.000) 4.532 2.272 ( 0.000 6.618 0.000) 6.618 2.310 ( 0.000 4.055 0.000) 4.055 2.365 ( 0.000 5.853 0.000) 5.853 2.446 ( 0.000 0.003 0.000) 0.003 2.560 ( 0.000 -5.447 0.000) 5.447 2.579 ( 0.000 -1.070 0.000) 1.070 2.683 ( 0.000 -1.155 0.000) 1.155 2.686 ( 0.000 -1.147 0.000) 1.147 2.717 ( 0.000 -1.357 0.000) 1.357 2.730 ( 0.000 -2.244 0.000) 2.244 2.755 ( 0.000 3.356 0.000) 3.356 2.814 ( 0.000 -3.401 0.000) 3.401 2.891 ( 0.000 -0.850 0.000) 0.850 2.936 ( 0.000 -1.412 0.000) 1.412 2.995 ( 0.000 -1.871 0.000) 1.871 3.069 ( 0.000 2.394 0.000) 2.394 3.105 ( 0.000 2.548 0.000) 2.548 3.159 ( 0.000 -5.244 0.000) 5.244 3.184 ( 0.000 0.670 0.000) 0.670 3.192 ( 0.000 2.283 0.000) 2.283 3.223 ( 0.000 0.078 0.000) 0.078 3.253 ( 0.000 -0.012 0.000) 0.012 3.295 ( 0.000 1.437 0.000) 1.437 3.428 ( 0.000 1.246 0.000) 1.246 3.444 ( 0.000 15.179 0.000) 15.179 3.485 ( 0.000 17.779 0.000) 17.779 3.539 ( 0.000 22.202 0.000) 22.202 3.548 ( 0.000 3.981 0.000) 3.981 3.612 ( 0.000 13.495 0.000) 13.495 3.630 ( 0.000 7.009 0.000) 7.009 3.751 ( 0.000 1.138 0.000) 1.138 3.791 ( 0.000 5.496 0.000) 5.496 3.870 ( 0.000 0.765 0.000) 0.765 3.926 ( 0.000 1.493 0.000) 1.493 3.968 ( 0.000 4.793 0.000) 4.793 4.241 ( 0.000 -4.369 0.000) 4.369 4.246 ( 0.000 1.597 0.000) 1.597 4.362 ( 0.000 -0.693 0.000) 0.693 4.534 ( 0.000 2.237 0.000) 2.237 4.574 ( 0.000 -0.902 0.000) 0.902 4.626 ( 0.000 -2.343 0.000) 2.343 4.860 ( 0.000 -8.478 0.000) 8.478 4.884 ( 0.000 -2.739 0.000) 2.739 4.946 ( 0.000 -0.479 0.000) 0.479 5.045 ( 0.000 -0.946 0.000) 0.946 5.130 ( 0.000 1.658 0.000) 1.658 5.217 ( 0.000 -2.321 0.000) 2.321 5.364 ( 0.000 0.150 0.000) 0.150 5.395 ( 0.000 -2.549 0.000) 2.549 5.439 ( 0.000 -1.292 0.000) 1.292 5.533 ( 0.000 3.857 0.000) 3.857 5.548 ( 0.000 -0.787 0.000) 0.787 5.829 ( 0.000 0.906 0.000) 0.906 5.871 ( 0.000 -1.362 0.000) 1.362 6.084 ( 0.000 -2.132 0.000) 2.132 6.110 ( 0.000 -4.610 0.000) 4.610 6.138 ( 0.000 0.132 0.000) 0.132 6.208 ( 0.000 2.810 0.000) 2.810 6.211 ( 0.000 0.103 0.000) 0.103 6.457 ( 0.000 -3.746 0.000) 3.746 6.516 ( 0.000 -1.489 0.000) 1.489 6.577 ( 0.000 -0.994 0.000) 0.994 6.736 ( 0.000 -3.443 0.000) 3.443 6.766 ( 0.000 12.211 0.000) 12.211 6.794 ( 0.000 0.337 0.000) 0.337 6.884 ( 0.000 12.458 0.000) 12.458 6.956 ( 0.000 -2.767 0.000) 2.767 7.081 ( 0.000 -2.557 0.000) 2.557 7.140 ( 0.000 3.948 0.000) 3.948 7.170 ( 0.000 4.826 0.000) 4.826 7.238 ( 0.000 -0.304 0.000) 0.304 7.371 ( 0.000 -0.186 0.000) 0.186 7.381 ( 0.000 0.236 0.000) 0.236 7.441 ( 0.000 2.246 0.000) 2.246 7.483 ( 0.000 -2.651 0.000) 2.651 7.509 ( 0.000 -0.160 0.000) 0.160 7.621 ( 0.000 1.068 0.000) 1.068 7.666 ( 0.000 1.871 0.000) 1.871 7.796 ( 0.000 -4.988 0.000) 4.988 7.881 ( 0.000 -3.282 0.000) 3.282 7.912 ( 0.000 -1.682 0.000) 1.682 8.026 ( 0.000 -9.112 0.000) 9.112 8.043 ( 0.000 -2.014 0.000) 2.014 8.070 ( 0.000 5.257 0.000) 5.257 8.096 ( 0.000 2.793 0.000) 2.793 8.118 ( 0.000 -2.117 0.000) 2.117 8.268 ( 0.000 -2.502 0.000) 2.502 8.377 ( 0.000 4.128 0.000) 4.128 8.398 ( 0.000 -2.030 0.000) 2.030 8.444 ( 0.000 -4.591 0.000) 4.591 8.486 ( 0.000 -6.873 0.000) 6.873 8.516 ( 0.000 2.903 0.000) 2.903 8.544 ( 0.000 0.365 0.000) 0.365 8.598 ( 0.000 1.025 0.000) 1.025 8.697 ( 0.000 -2.212 0.000) 2.212 8.738 ( 0.000 0.584 0.000) 0.584 8.790 ( 0.000 -3.705 0.000) 3.705 8.827 ( 0.000 2.398 0.000) 2.398 8.874 ( 0.000 1.491 0.000) 1.491 8.898 ( 0.000 4.543 0.000) 4.543 8.929 ( 0.000 0.273 0.000) 0.273 8.956 ( 0.000 2.782 0.000) 2.782 9.053 ( 0.000 0.593 0.000) 0.593 9.102 ( 0.000 -5.370 0.000) 5.370 9.233 ( 0.000 -10.567 0.000) 10.567 9.300 ( 0.000 0.688 0.000) 0.688 9.389 ( 0.000 7.482 0.000) 7.482 9.395 ( 0.000 5.397 0.000) 5.397 9.532 ( 0.000 -1.142 0.000) 1.142 9.545 ( 0.000 7.339 0.000) 7.339 9.635 ( 0.000 -6.311 0.000) 6.311 9.738 ( 0.000 -6.828 0.000) 6.828 9.874 ( 0.000 -2.571 0.000) 2.571 9.953 ( 0.000 8.015 0.000) 8.015 9.986 ( 0.000 9.490 0.000) 9.490 10.028 ( 0.000 2.900 0.000) 2.900 10.060 ( 0.000 1.812 0.000) 1.812 10.123 ( 0.000 0.010 0.000) 0.010 10.133 ( 0.000 11.418 0.000) 11.418 10.232 ( 0.000 -1.301 0.000) 1.301 10.337 ( 0.000 8.643 0.000) 8.643 10.410 ( 0.000 1.322 0.000) 1.322 10.432 ( 0.000 2.956 0.000) 2.956 10.529 ( 0.000 -0.189 0.000) 0.189 10.652 ( 0.000 -6.305 0.000) 6.305 11.066 ( 0.000 12.786 0.000) 12.786 11.075 ( 0.000 -8.494 0.000) 8.494 11.109 ( 0.000 -12.558 0.000) 12.558 11.205 ( 0.000 -0.079 0.000) 0.079 11.273 ( 0.000 -3.231 0.000) 3.231 11.414 ( 0.000 -0.017 0.000) 0.017 11.426 ( 0.000 0.449 0.000) 0.449 11.497 ( 0.000 -3.961 0.000) 3.961 11.657 ( 0.000 -3.236 0.000) 3.236 11.670 ( 0.000 1.513 0.000) 1.513 11.805 ( 0.000 2.107 0.000) 2.107 11.849 ( 0.000 1.339 0.000) 1.339 11.869 ( 0.000 4.188 0.000) 4.188 11.878 ( 0.000 8.797 0.000) 8.797 12.093 ( 0.000 1.112 0.000) 1.112 12.190 ( 0.000 -2.048 0.000) 2.048 12.387 ( 0.000 5.217 0.000) 5.217 12.409 ( 0.000 -2.042 0.000) 2.042 12.477 ( 0.000 2.448 0.000) 2.448 12.606 ( 0.000 5.131 0.000) 5.131 12.709 ( 0.000 9.836 0.000) 9.836 12.744 ( 0.000 -1.104 0.000) 1.104 12.833 ( 0.000 4.398 0.000) 4.398 12.919 ( 0.000 -0.701 0.000) 0.701 12.990 ( 0.000 5.587 0.000) 5.587 13.236 ( 0.000 -2.194 0.000) 2.194 13.359 ( 0.000 -3.619 0.000) 3.619 13.422 ( 0.000 -3.727 0.000) 3.727 13.452 ( 0.000 -4.471 0.000) 4.471 13.590 ( 0.000 3.868 0.000) 3.868 13.650 ( 0.000 1.561 0.000) 1.561 13.651 ( 0.000 3.341 0.000) 3.341 13.716 ( 0.000 2.329 0.000) 2.329 13.849 ( 0.000 0.912 0.000) 0.912 13.901 ( 0.000 -5.321 0.000) 5.321 14.073 ( 0.000 -2.771 0.000) 2.771 14.097 ( 0.000 -2.470 0.000) 2.470 14.238 ( 0.000 -6.559 0.000) 6.559 14.438 ( 0.000 -2.488 0.000) 2.488 14.713 ( 0.000 -0.486 0.000) 0.486 14.794 ( 0.000 1.965 0.000) 1.965 14.883 ( 0.000 -0.478 0.000) 0.478 14.886 ( 0.000 1.170 0.000) 1.170 15.161 ( 0.000 -4.963 0.000) 4.963 15.480 ( 0.000 -0.932 0.000) 0.932 15.590 ( 0.000 -1.530 0.000) 1.530 15.879 ( 0.000 -2.751 0.000) 2.751 16.323 ( 0.000 -7.185 0.000) 7.185 ======================= Grid point 6 (5/55) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 14.661 15.951 8.118) 23.136 0.678 ( 19.246 15.515 -3.061) 24.910 1.056 ( -2.168 24.613 -2.631) 24.848 1.137 ( 21.640 26.889 9.234) 35.729 1.447 ( -11.298 3.972 1.028) 12.020 1.645 ( -2.516 0.101 -8.378) 8.749 1.716 ( 0.208 7.150 -0.936) 7.214 1.838 ( 0.189 9.490 -0.493) 9.504 1.855 ( -3.456 4.515 0.889) 5.756 1.905 ( -7.431 4.366 6.904) 11.043 1.961 ( -0.971 7.248 -1.559) 7.477 2.015 ( 2.528 -0.271 4.714) 5.356 2.073 ( -2.948 -1.551 -1.315) 3.581 2.110 ( -0.537 -0.416 -2.419) 2.512 2.160 ( -0.121 -0.749 -1.355) 1.553 2.184 ( -0.396 0.738 0.619) 1.041 2.220 ( -1.981 -0.304 1.773) 2.676 2.250 ( 0.573 4.317 0.588) 4.394 2.267 ( -0.023 5.934 -0.493) 5.955 2.289 ( 2.310 1.362 0.911) 2.832 2.321 ( 0.890 3.405 -0.431) 3.546 2.349 ( -1.170 2.444 1.704) 3.201 2.463 ( -0.224 0.091 1.297) 1.320 2.487 ( -8.916 2.195 -5.407) 10.656 2.509 ( -3.017 2.865 -5.504) 6.899 2.611 ( -0.856 -4.020 1.678) 4.440 2.641 ( -2.907 0.305 0.542) 2.973 2.690 ( -1.248 -5.519 -0.760) 5.709 2.730 ( 1.626 -1.349 0.664) 2.215 2.778 ( 1.367 1.871 0.603) 2.395 2.808 ( -0.768 -2.122 -0.195) 2.266 2.849 ( 0.298 -0.831 -4.859) 4.939 2.958 ( -0.816 3.697 2.121) 4.340 3.000 ( 1.164 -0.889 -0.143) 1.472 3.043 ( -1.632 -2.955 1.430) 3.666 3.112 ( -2.617 -1.469 1.942) 3.575 3.160 ( -0.489 -1.266 0.486) 1.442 3.181 ( -0.402 0.218 1.058) 1.153 3.201 ( 1.970 -1.492 -1.106) 2.707 3.252 ( -0.667 -0.348 0.619) 0.974 3.270 ( 4.332 4.205 0.064) 6.038 3.321 ( 2.601 -0.560 1.911) 3.276 3.388 ( -1.064 20.867 0.881) 20.913 3.459 ( -1.243 10.648 -2.516) 11.012 3.477 ( -0.052 6.397 2.489) 6.865 3.497 ( -0.944 11.887 -2.958) 12.286 3.551 ( 0.649 11.921 -0.625) 11.955 3.599 ( 0.302 8.972 0.624) 8.999 3.674 ( -0.053 15.937 -0.341) 15.941 3.734 ( 0.795 -0.106 -3.540) 3.630 3.774 ( 0.388 4.488 -0.509) 4.533 3.838 ( -3.398 0.116 0.630) 3.458 3.994 ( 2.187 1.853 1.477) 3.225 4.159 ( 10.906 -8.239 -2.083) 13.826 4.233 ( -1.881 -2.426 2.413) 3.905 4.283 ( 1.464 -4.826 2.760) 5.749 4.395 ( 0.675 -0.992 -0.597) 1.340 4.532 ( 0.295 -2.163 3.249) 3.914 4.635 ( 2.366 0.335 -2.364) 3.361 4.652 ( 5.241 0.017 0.400) 5.257 4.827 ( -2.927 -1.732 -4.683) 5.788 4.840 ( -7.785 0.476 -5.240) 9.396 4.969 ( -1.454 -3.889 3.598) 5.494 4.985 ( 8.235 -4.372 -1.733) 9.484 5.090 ( -1.481 -2.586 -4.020) 5.004 5.244 ( 1.761 -0.250 -2.295) 2.904 5.323 ( -0.195 1.068 0.191) 1.102 5.388 ( -2.671 2.293 7.581) 8.358 5.452 ( 4.125 -1.343 -4.018) 5.913 5.668 ( 8.831 -5.590 11.344) 15.424 5.724 ( 7.169 -1.070 -0.802) 7.293 5.838 ( 2.471 0.962 -2.512) 3.653 5.961 ( 5.734 -0.781 -0.168) 5.789 6.069 ( -3.027 -1.376 1.275) 3.561 6.109 ( 0.917 -2.519 -1.107) 2.900 6.153 ( -2.975 0.446 2.526) 3.928 6.185 ( 3.699 -2.569 -3.627) 5.782 6.285 ( 2.342 -1.790 -1.032) 3.123 6.396 ( -2.154 -2.743 -8.297) 9.001 6.465 ( -2.961 0.359 3.102) 4.303 6.541 ( -1.762 0.257 -1.664) 2.437 6.741 ( 0.713 -4.866 -3.123) 5.826 6.766 ( -1.073 7.543 1.093) 7.697 6.809 ( 2.186 5.126 0.050) 5.573 6.881 ( -0.548 6.246 0.193) 6.273 6.958 ( -0.859 1.601 0.064) 1.818 7.040 ( -6.185 10.819 -5.701) 13.704 7.118 ( 1.757 3.095 -1.950) 4.058 7.224 ( 0.882 6.399 1.251) 6.579 7.281 ( 3.709 -3.490 5.161) 7.251 7.314 ( -4.026 -1.805 2.045) 4.863 7.411 ( -1.139 2.526 -2.840) 3.968 7.435 ( 0.642 -0.951 -2.312) 2.581 7.495 ( 1.657 -0.763 -1.057) 2.109 7.512 ( 4.039 -3.191 -1.162) 5.276 7.558 ( -2.576 2.398 0.323) 3.534 7.619 ( -3.456 2.263 0.754) 4.199 7.845 ( 5.018 -5.389 2.970) 7.940 7.880 ( 1.420 -6.959 0.024) 7.103 7.915 ( -2.734 -1.099 3.396) 4.496 7.995 ( -0.994 0.389 -1.766) 2.063 8.033 ( 3.313 -4.418 3.323) 6.445 8.076 ( 1.246 6.916 -2.357) 7.412 8.105 ( -0.920 -4.833 4.098) 6.403 8.145 ( -0.470 0.633 -1.708) 1.881 8.201 ( -2.338 0.250 -6.684) 7.086 8.352 ( -6.020 0.591 2.826) 6.677 8.411 ( -5.406 -4.180 0.424) 6.847 8.426 ( 2.170 9.312 -4.911) 10.749 8.478 ( 1.129 -1.060 2.205) 2.695 8.518 ( 1.384 -1.111 0.556) 1.860 8.574 ( 0.066 2.110 0.320) 2.135 8.603 ( 1.141 1.206 1.345) 2.137 8.653 ( -4.059 -4.487 -0.799) 6.103 8.686 ( -2.807 4.352 -2.753) 5.865 8.760 ( -3.380 -1.351 0.185) 3.644 8.819 ( -0.844 3.924 2.698) 4.836 8.845 ( -3.203 0.351 -1.078) 3.398 8.915 ( -0.364 2.673 -1.907) 3.304 8.962 ( -0.318 -0.679 0.920) 1.187 8.994 ( 3.179 5.779 0.419) 6.609 9.054 ( -0.765 2.046 4.422) 4.932 9.136 ( -0.535 3.845 -1.186) 4.059 9.252 ( -5.988 8.906 -2.281) 10.971 9.281 ( 4.177 -8.388 3.123) 9.877 9.369 ( 6.079 -1.231 0.110) 6.204 9.424 ( -5.441 7.674 5.506) 10.900 9.479 ( 4.165 6.932 -0.716) 8.118 9.534 ( 0.779 -2.302 -2.086) 3.203 9.639 ( 0.667 2.819 -3.992) 4.933 9.730 ( -1.746 -1.695 2.960) 3.832 9.836 ( -5.873 -1.450 -5.300) 8.042 9.896 ( -3.715 -0.726 -2.819) 4.720 9.930 ( -2.928 8.105 1.665) 8.777 10.006 ( -2.110 -4.004 2.592) 5.216 10.055 ( -8.548 -0.478 2.646) 8.961 10.107 ( 9.626 11.306 -2.866) 15.123 10.203 ( -3.531 3.581 3.132) 5.925 10.210 ( 7.378 6.849 1.997) 10.263 10.254 ( 1.728 3.742 -2.961) 5.075 10.378 ( -3.735 -2.540 9.708) 10.708 10.500 ( 5.201 3.769 -0.571) 6.448 10.560 ( -12.288 13.966 -8.000) 20.250 10.619 ( 2.513 2.068 3.684) 4.916 10.804 ( -11.061 10.284 0.040) 15.103 10.938 ( -8.715 -4.779 -3.698) 10.605 11.023 ( -7.762 5.447 -4.206) 10.374 11.098 ( -13.803 1.742 1.241) 13.968 11.223 ( -2.050 2.098 0.312) 2.950 11.319 ( 2.564 -3.106 2.165) 4.572 11.375 ( -1.981 1.785 2.450) 3.622 11.465 ( 1.380 -0.415 -0.977) 1.741 11.484 ( -1.526 -1.533 0.427) 2.205 11.606 ( -5.338 2.365 -4.977) 7.672 11.615 ( -7.736 -0.556 -1.383) 7.878 11.697 ( 0.816 0.409 -2.962) 3.099 11.874 ( -1.807 3.575 1.696) 4.350 11.889 ( -3.729 4.622 -0.690) 5.979 12.139 ( -2.464 -0.767 2.719) 3.748 12.198 ( 4.623 0.191 5.549) 7.225 12.261 ( -7.375 5.133 -7.167) 11.494 12.341 ( -1.965 -1.427 -2.049) 3.177 12.439 ( 0.346 9.393 -0.290) 9.404 12.521 ( -3.962 6.841 2.515) 8.296 12.637 ( -3.226 0.967 -5.471) 6.424 12.713 ( 12.152 0.229 -3.963) 12.783 12.905 ( 10.739 6.388 -1.254) 12.558 12.946 ( 3.770 4.322 1.208) 5.861 13.015 ( 5.882 1.942 -1.567) 6.390 13.262 ( -0.529 -2.113 0.497) 2.234 13.306 ( -0.056 0.344 3.048) 3.067 13.452 ( 1.282 -4.147 -3.034) 5.296 13.479 ( 1.276 -3.250 1.685) 3.877 13.581 ( -2.919 0.840 -1.640) 3.452 13.619 ( -0.973 0.366 -3.045) 3.218 13.659 ( -1.856 2.796 0.764) 3.442 13.692 ( -1.577 3.584 2.301) 4.541 13.734 ( -1.946 1.926 2.404) 3.643 13.833 ( -6.300 -4.959 1.744) 8.205 14.094 ( -0.362 -2.859 -0.383) 2.907 14.138 ( 6.172 -3.824 0.240) 7.265 14.315 ( 6.957 -5.767 2.763) 9.449 14.652 ( -4.744 -4.299 2.314) 6.808 14.682 ( -5.047 -2.988 3.063) 6.617 14.815 ( 0.794 0.601 -0.910) 1.349 14.831 ( -0.678 1.438 -0.998) 1.878 14.961 ( 0.913 0.381 3.617) 3.750 15.131 ( 0.145 -1.997 -2.289) 3.041 15.613 ( 8.097 -2.673 2.357) 8.846 15.864 ( -1.331 -2.914 -0.505) 3.243 16.091 ( 18.232 -20.380 -0.766) 27.356 16.316 ( -0.821 -7.656 -0.074) 7.701 ======================= Grid point 7 (6/55) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 19.249 0.000) 19.249 0.913 ( 0.000 24.059 -0.000) 24.059 1.083 ( -0.000 14.227 -0.000) 14.227 1.127 ( 0.000 11.473 0.000) 11.473 1.600 ( 0.000 0.377 -0.000) 0.377 1.717 ( 0.000 7.411 -0.000) 7.411 1.721 ( -0.000 0.981 -0.000) 0.981 1.752 ( 0.000 3.944 0.000) 3.944 1.765 ( 0.000 1.754 0.000) 1.754 1.857 ( -0.000 10.315 0.000) 10.315 1.860 ( 0.000 7.270 -0.000) 7.270 1.953 ( 0.000 7.327 0.000) 7.327 2.063 ( 0.000 -0.971 0.000) 0.971 2.110 ( 0.000 -0.943 -0.000) 0.943 2.146 ( -0.000 -1.427 0.000) 1.427 2.160 ( 0.000 -1.064 0.000) 1.064 2.196 ( 0.000 2.394 -0.000) 2.394 2.239 ( 0.000 6.713 -0.000) 6.713 2.268 ( 0.000 5.284 0.000) 5.284 2.319 ( 0.000 4.406 0.000) 4.406 2.327 ( 0.000 0.625 0.000) 0.625 2.353 ( 0.000 7.747 -0.000) 7.747 2.360 ( 0.000 0.754 0.000) 0.754 2.455 ( 0.000 1.649 -0.000) 1.649 2.500 ( 0.000 1.070 0.000) 1.070 2.596 ( 0.000 -3.060 -0.000) 3.060 2.618 ( 0.000 1.673 0.000) 1.673 2.678 ( 0.000 -6.916 -0.000) 6.916 2.742 ( 0.000 -1.269 0.000) 1.269 2.791 ( 0.000 -1.202 -0.000) 1.202 2.808 ( 0.000 -0.697 0.000) 0.697 2.858 ( 0.000 -0.854 0.000) 0.854 2.977 ( 0.000 5.131 -0.000) 5.131 2.997 ( 0.000 -1.716 -0.000) 1.716 3.008 ( 0.000 -0.804 0.000) 0.804 3.106 ( 0.000 -2.211 -0.000) 2.211 3.144 ( -0.000 -1.768 0.000) 1.768 3.178 ( 0.000 0.383 0.000) 0.383 3.216 ( 0.000 -2.258 0.000) 2.258 3.229 ( 0.000 -0.503 0.000) 0.503 3.345 ( 0.000 3.781 0.000) 3.781 3.349 ( 0.000 11.975 -0.000) 11.975 3.398 ( 0.000 9.316 0.000) 9.316 3.432 ( 0.000 13.463 0.000) 13.463 3.460 ( 0.000 14.454 -0.000) 14.454 3.522 ( 0.000 5.538 -0.000) 5.538 3.547 ( 0.000 -0.186 0.000) 0.186 3.617 ( 0.000 7.259 0.000) 7.259 3.664 ( 0.000 19.978 0.000) 19.978 3.713 ( 0.000 4.189 0.000) 4.189 3.781 ( 0.000 1.584 -0.000) 1.584 3.803 ( 0.000 0.165 -0.000) 0.165 4.038 ( 0.000 0.340 0.000) 0.340 4.205 ( 0.000 -1.312 0.000) 1.312 4.236 ( 0.000 -2.767 -0.000) 2.767 4.320 ( 0.000 -6.500 -0.000) 6.500 4.385 ( 0.000 -8.986 -0.000) 8.986 4.600 ( 0.000 -1.168 -0.000) 1.168 4.631 ( 0.000 0.766 0.000) 0.766 4.683 ( 0.000 -0.159 -0.000) 0.159 4.754 ( 0.000 1.148 0.000) 1.148 4.756 ( -0.000 1.406 -0.000) 1.406 4.964 ( 0.000 -3.298 0.000) 3.298 5.033 ( 0.000 -1.688 0.000) 1.688 5.153 ( 0.000 -4.333 0.000) 4.333 5.244 ( 0.000 -2.523 -0.000) 2.523 5.328 ( 0.000 0.275 -0.000) 0.275 5.395 ( 0.000 1.019 0.000) 1.019 5.534 ( 0.000 -3.388 0.000) 3.388 5.796 ( 0.000 2.359 -0.000) 2.359 5.816 ( -0.000 -8.901 0.000) 8.901 5.817 ( 0.000 -1.489 -0.000) 1.489 6.017 ( 0.000 3.552 -0.000) 3.552 6.034 ( 0.000 -1.170 0.000) 1.170 6.108 ( 0.000 -1.105 0.000) 1.105 6.143 ( 0.000 -5.195 0.000) 5.195 6.210 ( 0.000 -0.618 0.000) 0.618 6.264 ( 0.000 -1.120 -0.000) 1.120 6.389 ( 0.000 -0.961 -0.000) 0.961 6.445 ( 0.000 0.276 0.000) 0.276 6.518 ( 0.000 -1.513 -0.000) 1.513 6.738 ( 0.000 4.362 -0.000) 4.362 6.752 ( 0.000 -5.232 0.000) 5.232 6.830 ( 0.000 1.637 -0.000) 1.637 6.879 ( 0.000 -0.837 0.000) 0.837 6.914 ( 0.000 9.916 0.000) 9.916 6.970 ( 0.000 19.543 -0.000) 19.543 7.155 ( 0.000 5.750 -0.000) 5.750 7.216 ( 0.000 16.316 -0.000) 16.316 7.249 ( -0.000 -6.274 0.000) 6.274 7.306 ( 0.000 -4.196 0.000) 4.196 7.395 ( 0.000 2.194 0.000) 2.194 7.483 ( 0.000 -1.797 0.000) 1.797 7.514 ( 0.000 -3.290 -0.000) 3.290 7.536 ( 0.000 2.555 -0.000) 2.555 7.572 ( 0.000 1.078 0.000) 1.078 7.574 ( 0.000 -3.946 -0.000) 3.946 7.877 ( 0.000 -4.356 0.000) 4.356 7.902 ( 0.000 -4.386 0.000) 4.386 7.963 ( 0.000 2.131 0.000) 2.131 8.022 ( 0.000 -4.810 0.000) 4.810 8.071 ( 0.000 5.749 0.000) 5.749 8.104 ( 0.000 -9.644 0.000) 9.644 8.119 ( 0.000 1.230 0.000) 1.230 8.131 ( 0.000 -1.108 0.000) 1.108 8.179 ( 0.000 -2.893 -0.000) 2.893 8.194 ( -0.000 14.199 0.000) 14.199 8.312 ( 0.000 -1.356 -0.000) 1.356 8.426 ( 0.000 -2.685 -0.000) 2.685 8.499 ( 0.000 -2.907 0.000) 2.907 8.540 ( 0.000 6.028 0.000) 6.028 8.558 ( 0.000 -3.934 -0.000) 3.934 8.576 ( 0.000 5.164 0.000) 5.164 8.658 ( 0.000 5.906 0.000) 5.906 8.671 ( 0.000 2.297 -0.000) 2.297 8.695 ( -0.000 -1.430 0.000) 1.430 8.780 ( 0.000 5.096 0.000) 5.096 8.842 ( 0.000 6.300 -0.000) 6.300 8.902 ( 0.000 0.164 0.000) 0.164 8.911 ( 0.000 -0.002 -0.000) 0.002 9.000 ( 0.000 -2.437 0.000) 2.437 9.066 ( 0.000 11.393 -0.000) 11.393 9.165 ( -0.000 7.614 0.000) 7.614 9.166 ( 0.000 4.258 -0.000) 4.258 9.356 ( 0.000 -1.384 -0.000) 1.384 9.425 ( 0.000 -1.253 -0.000) 1.253 9.482 ( 0.000 5.768 -0.000) 5.768 9.552 ( 0.000 -3.944 0.000) 3.944 9.575 ( -0.000 0.082 -0.000) 0.082 9.606 ( 0.000 -0.306 0.000) 0.306 9.713 ( 0.000 -1.962 0.000) 1.962 9.764 ( 0.000 -10.172 0.000) 10.172 9.828 ( 0.000 -1.454 -0.000) 1.454 9.890 ( -0.000 5.047 0.000) 5.047 9.912 ( 0.000 2.331 0.000) 2.331 10.022 ( 0.000 -2.321 0.000) 2.321 10.150 ( 0.000 3.702 -0.000) 3.702 10.266 ( 0.000 21.835 -0.000) 21.835 10.267 ( -0.000 -0.768 0.000) 0.768 10.337 ( -0.000 0.764 0.000) 0.764 10.395 ( 0.000 -1.965 0.000) 1.965 10.459 ( 0.000 1.870 0.000) 1.870 10.527 ( 0.000 -2.708 -0.000) 2.708 10.641 ( 0.000 1.968 -0.000) 1.968 10.682 ( -0.000 7.698 0.000) 7.698 10.733 ( 0.000 16.448 0.000) 16.448 10.895 ( 0.000 -1.007 0.000) 1.007 11.007 ( 0.000 -1.479 -0.000) 1.479 11.199 ( 0.000 1.898 -0.000) 1.898 11.379 ( 0.000 -6.117 0.000) 6.117 11.417 ( 0.000 1.871 0.000) 1.871 11.440 ( 0.000 -3.484 0.000) 3.484 11.467 ( 0.000 0.077 0.000) 0.077 11.519 ( 0.000 0.129 -0.000) 0.129 11.548 ( 0.000 -2.938 0.000) 2.938 11.742 ( 0.000 2.433 -0.000) 2.433 11.799 ( 0.000 1.847 -0.000) 1.847 11.854 ( 0.000 3.166 0.000) 3.166 12.113 ( 0.000 2.411 0.000) 2.411 12.184 ( 0.000 0.544 -0.000) 0.544 12.241 ( 0.000 -0.869 0.000) 0.869 12.363 ( 0.000 -1.245 0.000) 1.245 12.443 ( 0.000 12.448 0.000) 12.448 12.472 ( -0.000 5.753 0.000) 5.753 12.552 ( 0.000 1.773 -0.000) 1.773 12.897 ( 0.000 3.222 0.000) 3.222 12.959 ( 0.000 6.133 0.000) 6.133 12.990 ( 0.000 -5.650 0.000) 5.650 13.144 ( 0.000 -2.491 0.000) 2.491 13.269 ( 0.000 6.362 0.000) 6.362 13.349 ( 0.000 1.355 -0.000) 1.355 13.450 ( 0.000 1.102 -0.000) 1.102 13.457 ( -0.000 -3.374 0.000) 3.374 13.549 ( 0.000 -1.821 -0.000) 1.821 13.585 ( 0.000 -0.082 -0.000) 0.082 13.619 ( -0.000 -0.727 0.000) 0.727 13.688 ( 0.000 2.510 0.000) 2.510 13.720 ( 0.000 0.518 0.000) 0.518 13.751 ( 0.000 -3.544 0.000) 3.544 14.084 ( 0.000 -2.610 0.000) 2.610 14.232 ( -0.000 -3.966 -0.000) 3.966 14.478 ( -0.000 -6.404 -0.000) 6.404 14.520 ( 0.000 -1.916 0.000) 1.916 14.604 ( 0.000 -3.859 -0.000) 3.859 14.797 ( 0.000 1.183 -0.000) 1.183 14.860 ( 0.000 2.320 0.000) 2.320 14.970 ( 0.000 1.797 -0.000) 1.797 15.135 ( 0.000 -1.133 0.000) 1.133 15.722 ( 0.000 -3.300 0.000) 3.300 15.835 ( 0.000 -3.040 0.000) 3.040 16.262 ( 0.000 -9.853 -0.000) 9.853 16.287 ( -0.000 -11.181 -0.000) 11.181 ======================= Grid point 10 (7/55) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 0.000 20.000 0.000) 20.000 0.884 ( 0.000 23.837 0.000) 23.837 1.583 ( 0.000 24.629 0.000) 24.629 1.616 ( 0.000 6.924 0.000) 6.924 1.661 ( 0.000 28.272 0.000) 28.272 1.715 ( 0.000 7.229 0.000) 7.229 1.847 ( 0.000 6.358 0.000) 6.358 1.982 ( 0.000 3.276 0.000) 3.276 2.008 ( 0.000 -3.470 0.000) 3.470 2.027 ( 0.000 6.982 0.000) 6.982 2.055 ( 0.000 8.207 0.000) 8.207 2.056 ( 0.000 3.194 0.000) 3.194 2.105 ( 0.000 2.942 0.000) 2.942 2.116 ( 0.000 -2.508 0.000) 2.508 2.177 ( 0.000 3.169 0.000) 3.169 2.205 ( 0.000 1.363 0.000) 1.363 2.232 ( 0.000 5.614 0.000) 5.614 2.235 ( 0.000 0.696 0.000) 0.696 2.317 ( 0.000 -5.227 0.000) 5.227 2.350 ( 0.000 4.578 0.000) 4.578 2.438 ( 0.000 7.409 0.000) 7.409 2.472 ( 0.000 3.564 0.000) 3.564 2.475 ( 0.000 5.713 0.000) 5.713 2.499 ( 0.000 0.231 0.000) 0.231 2.549 ( 0.000 -1.098 0.000) 1.098 2.646 ( 0.000 -2.239 0.000) 2.239 2.652 ( 0.000 -2.186 0.000) 2.186 2.668 ( 0.000 -0.316 0.000) 0.316 2.720 ( 0.000 -5.758 0.000) 5.758 2.795 ( 0.000 5.515 0.000) 5.515 2.831 ( 0.000 4.716 0.000) 4.716 2.876 ( 0.000 -0.542 0.000) 0.542 2.906 ( 0.000 -1.207 0.000) 1.207 2.970 ( 0.000 -0.251 0.000) 0.251 3.048 ( 0.000 -5.755 0.000) 5.755 3.079 ( 0.000 -1.206 0.000) 1.206 3.150 ( 0.000 -2.434 0.000) 2.434 3.182 ( 0.000 4.231 0.000) 4.231 3.196 ( 0.000 -3.934 0.000) 3.934 3.231 ( 0.000 1.581 0.000) 1.581 3.273 ( 0.000 1.432 0.000) 1.432 3.367 ( 0.000 5.389 0.000) 5.389 3.455 ( 0.000 1.608 0.000) 1.608 3.458 ( 0.000 -3.137 0.000) 3.137 3.630 ( 0.000 -4.578 0.000) 4.578 3.664 ( 0.000 2.615 0.000) 2.615 3.730 ( 0.000 -1.484 0.000) 1.484 3.764 ( 0.000 6.726 0.000) 6.726 3.823 ( 0.000 -0.849 0.000) 0.849 3.860 ( 0.000 5.200 0.000) 5.200 4.055 ( 0.000 29.042 0.000) 29.042 4.100 ( 0.000 -3.025 0.000) 3.025 4.217 ( 0.000 22.148 0.000) 22.148 4.224 ( 0.000 34.656 0.000) 34.656 4.279 ( 0.000 1.889 0.000) 1.889 4.306 ( 0.000 8.069 0.000) 8.069 4.391 ( 0.000 18.771 0.000) 18.771 4.577 ( 0.000 3.738 0.000) 3.738 4.586 ( 0.000 -1.314 0.000) 1.314 4.651 ( 0.000 13.238 0.000) 13.238 4.722 ( 0.000 -5.497 0.000) 5.497 4.819 ( 0.000 -3.759 0.000) 3.759 4.918 ( 0.000 -2.228 0.000) 2.228 5.023 ( 0.000 -1.159 0.000) 1.159 5.096 ( 0.000 -2.703 0.000) 2.703 5.186 ( 0.000 0.081 0.000) 0.081 5.320 ( 0.000 -4.346 0.000) 4.346 5.374 ( 0.000 0.487 0.000) 0.487 5.452 ( 0.000 2.052 0.000) 2.052 5.548 ( 0.000 0.970 0.000) 0.970 5.629 ( 0.000 5.519 0.000) 5.519 5.837 ( 0.000 -2.288 0.000) 2.288 5.867 ( 0.000 3.126 0.000) 3.126 6.020 ( 0.000 -4.845 0.000) 4.845 6.038 ( 0.000 -2.702 0.000) 2.702 6.107 ( 0.000 -3.391 0.000) 3.391 6.205 ( 0.000 -1.093 0.000) 1.093 6.266 ( 0.000 3.437 0.000) 3.437 6.385 ( 0.000 -3.619 0.000) 3.619 6.455 ( 0.000 -3.717 0.000) 3.717 6.555 ( 0.000 -1.698 0.000) 1.698 6.623 ( 0.000 -7.281 0.000) 7.281 6.783 ( 0.000 -1.177 0.000) 1.177 6.812 ( 0.000 -5.840 0.000) 5.840 6.972 ( 0.000 -8.294 0.000) 8.294 7.033 ( 0.000 3.413 0.000) 3.413 7.072 ( 0.000 3.518 0.000) 3.518 7.148 ( 0.000 -9.130 0.000) 9.130 7.214 ( 0.000 3.947 0.000) 3.947 7.242 ( 0.000 -0.464 0.000) 0.464 7.349 ( 0.000 -1.236 0.000) 1.236 7.373 ( 0.000 -7.569 0.000) 7.569 7.498 ( 0.000 4.009 0.000) 4.009 7.504 ( 0.000 3.361 0.000) 3.361 7.543 ( 0.000 5.156 0.000) 5.156 7.604 ( 0.000 1.291 0.000) 1.291 7.709 ( 0.000 -4.333 0.000) 4.333 7.763 ( 0.000 8.912 0.000) 8.912 7.863 ( 0.000 -6.694 0.000) 6.694 7.879 ( 0.000 2.007 0.000) 2.007 7.891 ( 0.000 0.341 0.000) 0.341 7.964 ( 0.000 -3.592 0.000) 3.592 8.061 ( 0.000 -4.856 0.000) 4.856 8.063 ( 0.000 -3.916 0.000) 3.916 8.128 ( 0.000 -2.599 0.000) 2.599 8.248 ( 0.000 -14.300 0.000) 14.300 8.276 ( 0.000 4.908 0.000) 4.908 8.355 ( 0.000 -8.479 0.000) 8.479 8.358 ( 0.000 -1.130 0.000) 1.130 8.452 ( 0.000 1.247 0.000) 1.247 8.566 ( 0.000 1.649 0.000) 1.649 8.580 ( 0.000 3.334 0.000) 3.334 8.629 ( 0.000 2.631 0.000) 2.631 8.654 ( 0.000 -6.603 0.000) 6.603 8.676 ( 0.000 -0.827 0.000) 0.827 8.786 ( 0.000 -0.792 0.000) 0.792 8.850 ( 0.000 2.250 0.000) 2.250 8.874 ( 0.000 2.150 0.000) 2.150 8.919 ( 0.000 2.877 0.000) 2.877 8.962 ( 0.000 4.879 0.000) 4.879 9.022 ( 0.000 2.396 0.000) 2.396 9.059 ( 0.000 -6.403 0.000) 6.403 9.111 ( 0.000 5.587 0.000) 5.587 9.198 ( 0.000 9.230 0.000) 9.230 9.315 ( 0.000 1.616 0.000) 1.616 9.401 ( 0.000 -0.613 0.000) 0.613 9.504 ( 0.000 4.284 0.000) 4.284 9.555 ( 0.000 -3.161 0.000) 3.161 9.594 ( 0.000 5.502 0.000) 5.502 9.664 ( 0.000 4.018 0.000) 4.018 9.809 ( 0.000 10.745 0.000) 10.745 9.886 ( 0.000 3.916 0.000) 3.916 9.946 ( 0.000 -1.509 0.000) 1.509 9.996 ( 0.000 -2.925 0.000) 2.925 10.079 ( 0.000 1.863 0.000) 1.863 10.132 ( 0.000 0.779 0.000) 0.779 10.226 ( 0.000 2.399 0.000) 2.399 10.285 ( 0.000 2.852 0.000) 2.852 10.363 ( 0.000 -5.839 0.000) 5.839 10.406 ( 0.000 18.792 0.000) 18.792 10.466 ( 0.000 7.900 0.000) 7.900 10.470 ( 0.000 1.280 0.000) 1.280 10.539 ( 0.000 1.406 0.000) 1.406 10.633 ( 0.000 4.439 0.000) 4.439 10.813 ( 0.000 -13.317 0.000) 13.317 10.945 ( 0.000 -8.404 0.000) 8.404 11.196 ( 0.000 -1.432 0.000) 1.432 11.198 ( 0.000 -4.876 0.000) 4.876 11.270 ( 0.000 4.941 0.000) 4.941 11.390 ( 0.000 -1.459 0.000) 1.459 11.425 ( 0.000 -2.851 0.000) 2.851 11.437 ( 0.000 1.001 0.000) 1.001 11.634 ( 0.000 1.474 0.000) 1.474 11.690 ( 0.000 0.557 0.000) 0.557 11.808 ( 0.000 -4.147 0.000) 4.147 11.866 ( 0.000 3.290 0.000) 3.290 11.927 ( 0.000 1.079 0.000) 1.079 12.001 ( 0.000 2.746 0.000) 2.746 12.187 ( 0.000 10.237 0.000) 10.237 12.219 ( 0.000 5.207 0.000) 5.207 12.414 ( 0.000 3.276 0.000) 3.276 12.493 ( 0.000 5.138 0.000) 5.138 12.579 ( 0.000 6.867 0.000) 6.867 12.675 ( 0.000 2.794 0.000) 2.794 12.735 ( 0.000 0.080 0.000) 0.080 12.895 ( 0.000 -1.014 0.000) 1.014 12.895 ( 0.000 9.627 0.000) 9.627 12.952 ( 0.000 7.295 0.000) 7.295 13.129 ( 0.000 8.659 0.000) 8.659 13.166 ( 0.000 -5.783 0.000) 5.783 13.262 ( 0.000 -6.130 0.000) 6.130 13.323 ( 0.000 -6.322 0.000) 6.322 13.334 ( 0.000 -7.551 0.000) 7.551 13.679 ( 0.000 3.948 0.000) 3.948 13.682 ( 0.000 0.561 0.000) 0.561 13.740 ( 0.000 5.308 0.000) 5.308 13.756 ( 0.000 -4.412 0.000) 4.412 13.792 ( 0.000 1.325 0.000) 1.325 13.872 ( 0.000 2.317 0.000) 2.317 14.003 ( 0.000 -5.561 0.000) 5.561 14.041 ( 0.000 -3.568 0.000) 3.568 14.073 ( 0.000 -8.292 0.000) 8.292 14.368 ( 0.000 -4.877 0.000) 4.877 14.680 ( 0.000 -3.768 0.000) 3.768 14.831 ( 0.000 1.335 0.000) 1.335 14.892 ( 0.000 2.081 0.000) 2.081 14.901 ( 0.000 -0.455 0.000) 0.455 15.061 ( 0.000 -4.051 0.000) 4.051 15.462 ( 0.000 -0.728 0.000) 0.728 15.555 ( 0.000 -1.954 0.000) 1.954 15.813 ( 0.000 -3.929 0.000) 3.929 16.146 ( 0.000 -10.926 0.000) 10.926 ======================= Grid point 11 (8/55) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 18.412 13.168 4.996) 23.181 1.005 ( 11.052 20.129 -0.431) 22.968 1.532 ( -4.450 19.228 -2.094) 19.847 1.567 ( -5.863 12.813 2.218) 14.264 1.657 ( -1.238 3.097 -6.030) 6.891 1.744 ( 4.498 28.379 1.770) 28.788 1.864 ( -0.163 6.443 1.023) 6.526 1.903 ( -6.456 1.751 2.728) 7.224 1.969 ( -2.505 0.218 -1.507) 2.931 2.024 ( -1.040 6.932 0.883) 7.065 2.039 ( -0.197 0.218 -1.735) 1.760 2.073 ( 1.245 2.269 -2.073) 3.316 2.080 ( -0.767 7.082 3.004) 7.731 2.145 ( 0.691 4.956 0.383) 5.018 2.177 ( -1.039 2.465 -1.974) 3.325 2.191 ( -1.868 -0.263 1.431) 2.368 2.206 ( -1.567 3.017 -0.287) 3.412 2.288 ( 2.510 1.248 2.777) 3.946 2.312 ( 0.806 -3.567 -1.771) 4.063 2.358 ( 0.524 4.769 0.616) 4.837 2.421 ( -1.421 3.296 3.502) 5.014 2.452 ( -2.014 2.761 -0.140) 3.421 2.469 ( -1.093 5.900 -1.193) 6.118 2.499 ( 0.898 2.554 -1.499) 3.095 2.537 ( -2.585 0.598 -0.495) 2.699 2.564 ( -2.320 -2.356 0.138) 3.309 2.650 ( -0.640 -0.036 3.195) 3.259 2.692 ( 0.477 -1.729 -1.856) 2.581 2.706 ( -1.505 4.950 -1.984) 5.541 2.771 ( 0.276 0.109 -0.816) 0.869 2.799 ( -2.355 0.024 -0.041) 2.355 2.854 ( 1.527 2.582 -2.064) 3.641 2.950 ( 1.311 -3.678 -1.284) 4.111 2.980 ( 1.896 -0.783 -0.751) 2.185 3.012 ( -2.414 0.034 0.900) 2.577 3.088 ( -1.650 -2.419 3.678) 4.701 3.121 ( -1.449 -1.875 0.631) 2.452 3.171 ( -3.678 -0.863 2.295) 4.421 3.198 ( 0.129 -0.105 -1.838) 1.845 3.220 ( 1.875 -1.722 2.856) 3.826 3.315 ( -0.656 0.695 -0.522) 1.089 3.374 ( 4.053 4.842 1.438) 6.476 3.455 ( -0.197 -2.935 2.007) 3.561 3.484 ( 1.752 -0.689 -2.386) 3.039 3.635 ( -1.741 3.188 -1.234) 3.836 3.649 ( 1.365 0.044 -1.350) 1.920 3.732 ( -1.077 1.344 0.646) 1.839 3.786 ( 1.260 0.552 -0.734) 1.559 3.813 ( -1.181 5.257 -3.276) 6.306 3.869 ( 2.592 2.069 1.704) 3.728 4.045 ( -0.476 21.481 -0.859) 21.503 4.055 ( -3.935 7.018 0.483) 8.061 4.184 ( -0.461 9.090 -1.410) 9.210 4.263 ( -0.485 24.190 -1.633) 24.250 4.285 ( 4.403 20.125 0.730) 20.614 4.375 ( -0.597 8.162 0.653) 8.210 4.392 ( -0.694 17.685 1.624) 17.773 4.538 ( 1.515 2.218 3.769) 4.629 4.657 ( 2.159 3.190 -2.052) 4.364 4.680 ( 2.792 5.790 -0.890) 6.489 4.783 ( 3.602 -4.258 3.890) 6.800 4.850 ( -6.076 1.949 -5.390) 8.353 4.874 ( 3.615 -1.751 1.686) 4.357 4.944 ( 2.865 -2.003 -3.098) 4.671 5.047 ( -4.596 -1.659 -0.471) 4.909 5.223 ( 0.998 -1.070 -1.341) 1.985 5.323 ( 0.064 -1.814 4.090) 4.474 5.408 ( -0.674 1.406 0.616) 1.677 5.459 ( 2.371 0.580 1.553) 2.893 5.598 ( 3.421 -0.951 5.278) 6.361 5.711 ( 5.683 -0.113 -2.732) 6.306 5.865 ( 2.752 1.449 0.522) 3.154 5.944 ( 4.993 -0.965 1.241) 5.235 6.014 ( -0.337 -4.913 -0.340) 4.936 6.047 ( 0.909 -2.535 -1.300) 2.990 6.128 ( 2.412 -3.727 -0.955) 4.541 6.189 ( -3.212 1.404 0.042) 3.506 6.247 ( -0.982 -1.147 -1.991) 2.499 6.346 ( 1.000 -2.115 -4.273) 4.871 6.459 ( -1.740 -0.869 2.287) 3.002 6.508 ( -3.611 -3.058 -0.267) 4.739 6.624 ( 1.005 -6.947 -2.859) 7.579 6.777 ( 0.975 -1.902 0.093) 2.139 6.826 ( -1.791 -5.489 0.415) 5.789 6.947 ( -8.134 0.562 -3.223) 8.768 7.065 ( 5.216 -4.559 3.374) 7.705 7.078 ( 3.638 1.085 0.324) 3.810 7.170 ( 0.290 -8.035 1.048) 8.108 7.235 ( 1.583 1.108 -2.189) 2.920 7.259 ( 2.686 2.288 -0.068) 3.529 7.358 ( 1.370 2.090 2.725) 3.698 7.397 ( 1.638 -4.078 -3.810) 5.816 7.420 ( -4.631 -4.627 -0.423) 6.560 7.497 ( -2.464 4.732 -1.209) 5.471 7.545 ( -1.240 5.563 -1.823) 5.984 7.625 ( -0.788 2.843 1.386) 3.260 7.662 ( 4.346 -5.558 3.297) 7.788 7.750 ( -3.255 3.102 -4.276) 6.205 7.795 ( 1.153 -0.734 4.566) 4.766 7.890 ( -0.781 -0.713 1.330) 1.699 7.916 ( -0.435 -5.918 -1.458) 6.111 7.986 ( 2.210 -1.095 -0.264) 2.480 8.007 ( 0.613 -0.989 -0.485) 1.260 8.105 ( -1.773 -4.989 -0.610) 5.330 8.114 ( 0.542 -3.782 -3.515) 5.192 8.199 ( 0.441 1.982 2.038) 2.876 8.291 ( -3.383 -8.413 0.795) 9.102 8.360 ( 0.553 -0.541 -0.080) 0.778 8.436 ( 2.861 -1.475 -1.583) 3.587 8.501 ( -2.514 -1.664 -1.231) 3.256 8.516 ( -4.276 -4.771 -1.465) 6.572 8.537 ( 0.145 2.098 2.533) 3.292 8.612 ( 3.797 1.666 -3.568) 5.470 8.654 ( -0.822 -5.098 -0.539) 5.192 8.746 ( 6.518 7.508 2.715) 10.307 8.774 ( 0.498 1.396 -1.246) 1.936 8.833 ( -1.787 1.911 1.997) 3.292 8.914 ( 1.799 7.810 0.511) 8.031 8.946 ( -3.410 -0.733 1.275) 3.714 8.961 ( 0.111 3.155 0.435) 3.187 9.082 ( 2.656 0.428 4.384) 5.144 9.127 ( 8.201 4.297 -1.676) 9.409 9.172 ( 4.908 1.868 1.905) 5.586 9.217 ( 1.546 4.187 3.181) 5.481 9.349 ( 4.832 1.169 -1.406) 5.166 9.413 ( -3.506 6.077 -3.430) 7.809 9.479 ( 3.212 2.086 -2.421) 4.531 9.505 ( -2.721 4.286 0.100) 5.078 9.617 ( 2.180 3.059 -2.180) 4.343 9.737 ( 2.209 3.265 0.649) 3.995 9.788 ( -2.651 9.703 0.894) 10.098 9.830 ( -8.970 -2.954 0.600) 9.462 9.898 ( 0.389 3.413 -2.045) 3.998 9.931 ( -2.226 -2.243 1.072) 3.337 10.043 ( -5.454 0.876 6.468) 8.506 10.176 ( -0.888 4.288 2.375) 4.981 10.187 ( -5.029 6.040 2.520) 8.254 10.268 ( -1.437 -0.063 -0.710) 1.604 10.300 ( -0.778 -2.455 4.783) 5.433 10.318 ( -5.695 6.774 -1.988) 9.070 10.428 ( -0.202 7.716 -2.924) 8.253 10.525 ( 5.343 4.166 -3.545) 7.647 10.651 ( 1.290 -0.695 -2.127) 2.583 10.671 ( 2.209 0.411 -2.914) 3.680 10.718 ( -2.138 -3.920 0.332) 4.477 10.925 ( -0.407 -3.042 -0.372) 3.092 11.100 ( -8.834 0.777 -0.360) 8.875 11.219 ( -0.393 -6.030 0.275) 6.049 11.277 ( -1.121 7.800 -3.596) 8.662 11.319 ( -6.683 2.067 6.398) 9.480 11.373 ( -7.193 -0.450 2.219) 7.541 11.430 ( -1.890 -1.946 -0.794) 2.826 11.507 ( -6.778 5.394 -2.121) 8.918 11.565 ( -14.859 -4.623 -0.485) 15.569 11.673 ( 1.023 3.933 -3.944) 5.663 11.742 ( -2.745 4.343 -3.278) 6.095 11.932 ( -2.332 2.123 3.583) 4.773 11.968 ( -6.356 3.050 1.139) 7.141 12.190 ( 0.834 5.379 4.771) 7.239 12.239 ( 2.565 4.985 -1.787) 5.884 12.354 ( -3.417 4.353 -0.295) 5.541 12.369 ( -15.017 4.107 -5.218) 16.420 12.557 ( -0.321 3.809 0.954) 3.940 12.632 ( -0.045 1.038 -1.546) 1.863 12.717 ( 6.548 8.699 1.621) 11.008 12.772 ( -0.389 6.170 -6.664) 9.090 12.986 ( 6.615 4.327 -0.541) 7.923 13.036 ( 4.130 2.322 -2.301) 5.267 13.109 ( -0.510 7.562 -0.652) 7.607 13.197 ( 2.429 -5.128 2.793) 6.325 13.294 ( 5.171 -1.634 0.698) 5.468 13.355 ( 1.997 -5.268 -3.665) 6.721 13.399 ( 4.348 -3.937 1.034) 5.956 13.617 ( -3.336 1.400 -2.442) 4.365 13.634 ( -4.177 1.327 -1.833) 4.751 13.697 ( -5.424 -2.675 0.327) 6.057 13.710 ( -6.178 -2.400 0.988) 6.701 13.773 ( 1.154 5.541 2.783) 6.307 13.819 ( -3.495 4.553 1.890) 6.043 14.015 ( 1.357 -5.446 0.569) 5.642 14.052 ( 3.120 -4.063 0.201) 5.126 14.161 ( 8.386 -9.875 1.554) 13.048 14.528 ( -1.566 -7.933 5.116) 9.568 14.602 ( -6.893 -5.996 -0.587) 9.155 14.832 ( 0.461 1.513 -0.481) 1.653 14.890 ( 1.916 4.200 -0.099) 4.617 14.972 ( 3.756 0.385 1.386) 4.022 15.097 ( 2.412 -1.009 -0.789) 2.731 15.555 ( 6.423 -2.969 1.548) 7.243 15.779 ( 8.419 -8.847 -0.133) 12.213 15.808 ( 6.955 -6.644 -0.288) 9.623 16.131 ( -1.803 -11.149 0.038) 11.294 ======================= Grid point 12 (9/55) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 13.632 0.000) 13.632 1.259 ( 0.000 14.171 -0.000) 14.171 1.384 ( -0.000 13.968 0.000) 13.968 1.453 ( 0.000 17.964 -0.000) 17.964 1.633 ( 0.000 3.033 -0.000) 3.033 1.781 ( 0.000 3.076 0.000) 3.076 1.852 ( -0.000 7.819 -0.000) 7.819 1.885 ( 0.000 8.807 0.000) 8.807 1.965 ( -0.000 17.515 -0.000) 17.515 1.977 ( 0.000 -1.348 0.000) 1.348 2.013 ( 0.000 6.281 -0.000) 6.281 2.069 ( 0.000 8.490 0.000) 8.490 2.098 ( 0.000 1.631 0.000) 1.631 2.120 ( -0.000 4.156 -0.000) 4.156 2.126 ( 0.000 -1.181 0.000) 1.181 2.169 ( 0.000 6.213 0.000) 6.213 2.212 ( 0.000 0.928 -0.000) 0.928 2.323 ( 0.000 -0.357 -0.000) 0.357 2.331 ( 0.000 0.954 0.000) 0.954 2.370 ( 0.000 5.417 -0.000) 5.417 2.400 ( 0.000 -5.161 0.000) 5.161 2.426 ( 0.000 4.384 0.000) 4.384 2.465 ( 0.000 10.584 0.000) 10.584 2.486 ( 0.000 1.370 -0.000) 1.370 2.509 ( 0.000 3.484 0.000) 3.484 2.552 ( 0.000 -4.838 -0.000) 4.838 2.663 ( 0.000 0.905 -0.000) 0.905 2.674 ( 0.000 3.634 0.000) 3.634 2.695 ( 0.000 3.906 0.000) 3.906 2.775 ( 0.000 -0.681 -0.000) 0.681 2.781 ( 0.000 -2.189 0.000) 2.189 2.870 ( 0.000 2.962 0.000) 2.962 2.942 ( 0.000 -4.466 0.000) 4.466 2.986 ( 0.000 -1.093 -0.000) 1.093 3.049 ( 0.000 2.472 -0.000) 2.472 3.061 ( 0.000 -1.528 0.000) 1.528 3.101 ( -0.000 -2.287 0.000) 2.287 3.133 ( 0.000 -5.290 -0.000) 5.290 3.195 ( 0.000 -3.073 -0.000) 3.073 3.223 ( 0.000 3.514 0.000) 3.514 3.321 ( 0.000 -3.315 0.000) 3.315 3.443 ( 0.000 -5.603 -0.000) 5.603 3.451 ( 0.000 5.909 0.000) 5.909 3.543 ( 0.000 1.652 0.000) 1.652 3.569 ( 0.000 -1.455 0.000) 1.455 3.674 ( -0.000 6.577 -0.000) 6.577 3.679 ( 0.000 2.870 0.000) 2.870 3.782 ( 0.000 -0.760 0.000) 0.760 3.830 ( 0.000 3.999 0.000) 3.999 3.905 ( 0.000 1.320 -0.000) 1.320 3.996 ( 0.000 6.154 0.000) 6.154 4.050 ( 0.000 25.509 -0.000) 25.509 4.172 ( 0.000 4.961 0.000) 4.961 4.238 ( 0.000 12.794 0.000) 12.794 4.342 ( 0.000 15.387 -0.000) 15.387 4.354 ( -0.000 24.344 0.000) 24.344 4.393 ( 0.000 18.339 -0.000) 18.339 4.619 ( 0.000 4.424 -0.000) 4.424 4.649 ( 0.000 1.101 0.000) 1.101 4.683 ( 0.000 2.427 0.000) 2.427 4.791 ( 0.000 3.287 0.000) 3.287 4.802 ( 0.000 1.349 0.000) 1.349 4.895 ( 0.000 -2.345 0.000) 2.345 4.992 ( 0.000 -2.380 0.000) 2.380 5.073 ( 0.000 -3.731 0.000) 3.731 5.188 ( 0.000 -2.764 0.000) 2.764 5.344 ( 0.000 1.552 -0.000) 1.552 5.401 ( 0.000 -0.440 0.000) 0.440 5.490 ( 0.000 -0.206 0.000) 0.206 5.665 ( 0.000 -6.024 0.000) 6.024 5.788 ( 0.000 -1.426 -0.000) 1.426 5.855 ( 0.000 2.619 0.000) 2.619 6.016 ( 0.000 -0.929 0.000) 0.929 6.042 ( -0.000 -5.214 -0.000) 5.214 6.046 ( 0.000 -1.506 0.000) 1.506 6.132 ( 0.000 2.415 0.000) 2.415 6.176 ( 0.000 -0.569 0.000) 0.569 6.213 ( 0.000 -4.010 -0.000) 4.010 6.376 ( 0.000 -0.448 -0.000) 0.448 6.426 ( 0.000 -1.897 0.000) 1.897 6.454 ( 0.000 -4.110 0.000) 4.110 6.645 ( 0.000 -5.944 0.000) 5.944 6.773 ( 0.000 -4.000 -0.000) 4.000 6.796 ( 0.000 -4.844 0.000) 4.844 6.818 ( 0.000 -1.752 0.000) 1.752 7.115 ( 0.000 2.874 0.000) 2.874 7.151 ( 0.000 -4.156 -0.000) 4.156 7.175 ( 0.000 -1.564 0.000) 1.564 7.210 ( 0.000 1.580 -0.000) 1.580 7.347 ( 0.000 10.697 0.000) 10.697 7.353 ( 0.000 -9.308 -0.000) 9.308 7.401 ( 0.000 -6.620 -0.000) 6.620 7.413 ( 0.000 -1.855 0.000) 1.855 7.496 ( -0.000 0.826 -0.000) 0.826 7.504 ( 0.000 -0.151 0.000) 0.151 7.587 ( 0.000 0.797 0.000) 0.797 7.691 ( 0.000 9.836 -0.000) 9.836 7.785 ( 0.000 -6.187 0.000) 6.187 7.846 ( -0.000 -9.300 -0.000) 9.300 7.880 ( 0.000 3.198 0.000) 3.198 7.905 ( 0.000 -7.875 0.000) 7.875 7.996 ( 0.000 2.039 0.000) 2.039 8.065 ( 0.000 1.143 -0.000) 1.143 8.102 ( 0.000 1.285 0.000) 1.285 8.141 ( -0.000 -3.959 0.000) 3.959 8.151 ( 0.000 -6.976 -0.000) 6.976 8.197 ( 0.000 2.090 0.000) 2.090 8.347 ( 0.000 -3.558 -0.000) 3.558 8.387 ( 0.000 -6.730 0.000) 6.730 8.466 ( -0.000 -3.423 0.000) 3.423 8.479 ( 0.000 4.496 -0.000) 4.496 8.581 ( 0.000 -0.416 0.000) 0.416 8.637 ( 0.000 -2.626 0.000) 2.626 8.712 ( 0.000 5.545 0.000) 5.545 8.771 ( 0.000 -1.381 0.000) 1.381 8.816 ( 0.000 -4.876 -0.000) 4.876 8.828 ( 0.000 8.719 0.000) 8.719 8.879 ( 0.000 5.321 0.000) 5.321 8.914 ( 0.000 7.703 -0.000) 7.703 8.987 ( 0.000 4.078 -0.000) 4.078 9.091 ( 0.000 11.007 0.000) 11.007 9.190 ( 0.000 -2.428 0.000) 2.428 9.273 ( 0.000 2.932 0.000) 2.932 9.306 ( 0.000 6.970 -0.000) 6.970 9.327 ( -0.000 8.983 0.000) 8.983 9.395 ( 0.000 5.450 0.000) 5.450 9.526 ( 0.000 0.692 0.000) 0.692 9.587 ( -0.000 -1.948 0.000) 1.948 9.628 ( 0.000 7.396 0.000) 7.396 9.646 ( -0.000 0.085 -0.000) 0.085 9.725 ( 0.000 7.411 0.000) 7.411 9.817 ( 0.000 1.179 -0.000) 1.179 9.838 ( -0.000 9.909 0.000) 9.909 9.920 ( 0.000 -1.067 0.000) 1.067 9.952 ( 0.000 1.834 0.000) 1.834 10.045 ( 0.000 5.690 0.000) 5.690 10.204 ( 0.000 0.038 0.000) 0.038 10.237 ( 0.000 -2.843 -0.000) 2.843 10.305 ( 0.000 0.891 0.000) 0.891 10.348 ( 0.000 -2.266 0.000) 2.266 10.418 ( 0.000 -5.291 0.000) 5.291 10.531 ( 0.000 -1.858 -0.000) 1.858 10.658 ( 0.000 13.439 0.000) 13.439 10.662 ( -0.000 2.405 -0.000) 2.405 10.759 ( 0.000 7.635 -0.000) 7.635 10.928 ( 0.000 3.999 0.000) 3.999 10.979 ( 0.000 -0.931 0.000) 0.931 11.104 ( -0.000 15.788 0.000) 15.788 11.222 ( 0.000 -8.409 0.000) 8.409 11.269 ( 0.000 4.568 0.000) 4.568 11.342 ( 0.000 -6.514 0.000) 6.514 11.368 ( 0.000 -11.493 -0.000) 11.493 11.460 ( 0.000 1.427 -0.000) 1.427 11.463 ( 0.000 0.576 -0.000) 0.576 11.630 ( 0.000 6.519 -0.000) 6.519 11.787 ( 0.000 2.871 -0.000) 2.871 11.849 ( 0.000 2.507 0.000) 2.507 11.907 ( 0.000 2.077 0.000) 2.077 12.206 ( 0.000 1.951 -0.000) 1.951 12.239 ( 0.000 9.738 0.000) 9.738 12.250 ( -0.000 1.516 0.000) 1.516 12.347 ( 0.000 0.556 0.000) 0.556 12.558 ( 0.000 2.095 -0.000) 2.095 12.588 ( 0.000 5.735 0.000) 5.735 12.716 ( 0.000 11.929 -0.000) 11.929 12.909 ( 0.000 -2.637 0.000) 2.637 13.001 ( -0.000 7.590 0.000) 7.590 13.064 ( 0.000 -0.399 0.000) 0.399 13.103 ( 0.000 3.346 0.000) 3.346 13.268 ( 0.000 -7.426 0.000) 7.426 13.363 ( 0.000 -1.041 -0.000) 1.041 13.447 ( 0.000 2.940 -0.000) 2.940 13.453 ( -0.000 0.907 0.000) 0.907 13.548 ( 0.000 1.827 0.000) 1.827 13.580 ( 0.000 -3.262 -0.000) 3.262 13.607 ( 0.000 2.909 0.000) 2.909 13.620 ( 0.000 -8.072 0.000) 8.072 13.751 ( 0.000 3.131 0.000) 3.131 13.799 ( 0.000 5.775 0.000) 5.775 14.018 ( 0.000 -3.868 0.000) 3.868 14.126 ( -0.000 -7.143 -0.000) 7.143 14.311 ( -0.000 -10.652 0.000) 10.652 14.453 ( 0.000 -5.455 0.000) 5.455 14.501 ( 0.000 -6.824 -0.000) 6.824 14.835 ( 0.000 2.792 -0.000) 2.792 14.923 ( 0.000 3.860 0.000) 3.860 15.018 ( 0.000 3.220 -0.000) 3.220 15.119 ( 0.000 -0.270 0.000) 0.270 15.646 ( 0.000 -4.193 0.000) 4.193 15.763 ( 0.000 -4.335 -0.000) 4.335 16.045 ( 0.000 -12.049 -0.000) 12.049 16.048 ( -0.000 -12.890 -0.000) 12.890 ======================= Grid point 15 (10/55) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 19.644 0.000) 19.644 1.316 ( 0.000 21.606 0.000) 21.606 1.612 ( 0.000 -7.761 0.000) 7.761 1.765 ( 0.000 8.656 0.000) 8.656 1.884 ( 0.000 -4.544 0.000) 4.544 1.921 ( 0.000 1.794 0.000) 1.794 1.952 ( 0.000 -3.744 0.000) 3.744 2.019 ( 0.000 1.098 0.000) 1.098 2.046 ( 0.000 13.885 0.000) 13.885 2.084 ( 0.000 -0.904 0.000) 0.904 2.097 ( 0.000 1.572 0.000) 1.572 2.130 ( 0.000 -6.970 0.000) 6.970 2.174 ( 0.000 -0.881 0.000) 0.881 2.214 ( 0.000 7.985 0.000) 7.985 2.245 ( 0.000 3.800 0.000) 3.800 2.272 ( 0.000 6.722 0.000) 6.722 2.300 ( 0.000 11.858 0.000) 11.858 2.324 ( 0.000 12.849 0.000) 12.849 2.327 ( 0.000 3.444 0.000) 3.444 2.429 ( 0.000 6.406 0.000) 6.406 2.442 ( 0.000 -3.812 0.000) 3.812 2.498 ( 0.000 -0.728 0.000) 0.728 2.507 ( 0.000 -0.272 0.000) 0.272 2.552 ( 0.000 -0.937 0.000) 0.937 2.614 ( 0.000 -0.777 0.000) 0.777 2.624 ( 0.000 3.345 0.000) 3.345 2.636 ( 0.000 1.076 0.000) 1.076 2.645 ( 0.000 -0.640 0.000) 0.640 2.739 ( 0.000 9.730 0.000) 9.730 2.819 ( 0.000 -4.075 0.000) 4.075 2.887 ( 0.000 0.869 0.000) 0.869 2.888 ( 0.000 0.653 0.000) 0.653 2.944 ( 0.000 4.799 0.000) 4.799 2.997 ( 0.000 2.948 0.000) 2.948 3.008 ( 0.000 2.155 0.000) 2.155 3.036 ( 0.000 -3.182 0.000) 3.182 3.083 ( 0.000 -3.478 0.000) 3.478 3.088 ( 0.000 -6.715 0.000) 6.715 3.224 ( 0.000 -3.881 0.000) 3.881 3.253 ( 0.000 -3.821 0.000) 3.821 3.283 ( 0.000 5.622 0.000) 5.622 3.387 ( 0.000 1.054 0.000) 1.054 3.474 ( 0.000 -0.897 0.000) 0.897 3.508 ( 0.000 5.738 0.000) 5.738 3.531 ( 0.000 -4.908 0.000) 4.908 3.666 ( 0.000 -4.319 0.000) 4.319 3.692 ( 0.000 1.454 0.000) 1.454 3.782 ( 0.000 -2.450 0.000) 2.450 3.857 ( 0.000 3.012 0.000) 3.012 3.976 ( 0.000 8.035 0.000) 8.035 3.991 ( 0.000 -5.995 0.000) 5.995 4.219 ( 0.000 -4.272 0.000) 4.272 4.299 ( 0.000 4.257 0.000) 4.257 4.412 ( 0.000 1.322 0.000) 1.322 4.540 ( 0.000 -1.061 0.000) 1.061 4.545 ( 0.000 -0.259 0.000) 0.259 4.648 ( 0.000 0.344 0.000) 0.344 4.688 ( 0.000 2.536 0.000) 2.536 4.779 ( 0.000 3.940 0.000) 3.940 4.825 ( 0.000 5.861 0.000) 5.861 4.871 ( 0.000 29.844 0.000) 29.844 4.964 ( 0.000 11.740 0.000) 11.740 5.056 ( 0.000 6.183 0.000) 6.183 5.057 ( 0.000 15.819 0.000) 15.819 5.167 ( 0.000 14.355 0.000) 14.355 5.234 ( 0.000 9.275 0.000) 9.275 5.368 ( 0.000 -0.657 0.000) 0.657 5.447 ( 0.000 25.138 0.000) 25.138 5.514 ( 0.000 6.332 0.000) 6.332 5.570 ( 0.000 0.741 0.000) 0.741 5.721 ( 0.000 4.512 0.000) 4.512 5.795 ( 0.000 -1.390 0.000) 1.390 5.871 ( 0.000 -6.383 0.000) 6.383 5.959 ( 0.000 -0.641 0.000) 0.641 5.993 ( 0.000 -1.987 0.000) 1.987 6.035 ( 0.000 -3.298 0.000) 3.298 6.157 ( 0.000 -3.810 0.000) 3.810 6.318 ( 0.000 -0.057 0.000) 0.057 6.330 ( 0.000 -1.562 0.000) 1.562 6.404 ( 0.000 -0.528 0.000) 0.528 6.465 ( 0.000 -9.016 0.000) 9.016 6.515 ( 0.000 -3.104 0.000) 3.104 6.723 ( 0.000 -4.783 0.000) 4.783 6.756 ( 0.000 -3.247 0.000) 3.247 6.784 ( 0.000 -7.932 0.000) 7.932 6.889 ( 0.000 -17.089 0.000) 17.089 6.947 ( 0.000 -13.270 0.000) 13.270 6.980 ( 0.000 -10.345 0.000) 10.345 7.097 ( 0.000 -7.401 0.000) 7.401 7.116 ( 0.000 -8.421 0.000) 8.421 7.329 ( 0.000 -3.718 0.000) 3.718 7.352 ( 0.000 -0.779 0.000) 0.779 7.483 ( 0.000 0.676 0.000) 0.676 7.563 ( 0.000 1.423 0.000) 1.423 7.632 ( 0.000 -3.544 0.000) 3.544 7.635 ( 0.000 3.591 0.000) 3.591 7.676 ( 0.000 2.313 0.000) 2.313 7.718 ( 0.000 -10.153 0.000) 10.153 7.790 ( 0.000 -1.177 0.000) 1.177 7.935 ( 0.000 4.502 0.000) 4.502 7.943 ( 0.000 -4.751 0.000) 4.751 7.966 ( 0.000 -4.397 0.000) 4.397 8.021 ( 0.000 -0.259 0.000) 0.259 8.023 ( 0.000 4.638 0.000) 4.638 8.074 ( 0.000 1.499 0.000) 1.499 8.113 ( 0.000 1.758 0.000) 1.758 8.277 ( 0.000 -1.595 0.000) 1.595 8.279 ( 0.000 5.265 0.000) 5.265 8.426 ( 0.000 5.887 0.000) 5.887 8.430 ( 0.000 -0.208 0.000) 0.208 8.496 ( 0.000 -5.427 0.000) 5.427 8.605 ( 0.000 -3.983 0.000) 3.983 8.660 ( 0.000 3.222 0.000) 3.222 8.660 ( 0.000 2.997 0.000) 2.997 8.681 ( 0.000 0.502 0.000) 0.502 8.768 ( 0.000 -3.289 0.000) 3.289 8.873 ( 0.000 -1.710 0.000) 1.710 8.879 ( 0.000 -0.741 0.000) 0.741 8.971 ( 0.000 1.092 0.000) 1.092 9.005 ( 0.000 0.974 0.000) 0.974 9.107 ( 0.000 8.181 0.000) 8.181 9.147 ( 0.000 10.170 0.000) 10.170 9.226 ( 0.000 6.723 0.000) 6.723 9.251 ( 0.000 -0.132 0.000) 0.132 9.448 ( 0.000 6.551 0.000) 6.551 9.449 ( 0.000 3.726 0.000) 3.726 9.528 ( 0.000 2.433 0.000) 2.433 9.612 ( 0.000 8.023 0.000) 8.023 9.627 ( 0.000 -2.215 0.000) 2.215 9.736 ( 0.000 5.500 0.000) 5.500 9.886 ( 0.000 -4.807 0.000) 4.807 9.917 ( 0.000 2.493 0.000) 2.493 9.988 ( 0.000 -0.032 0.000) 0.032 9.997 ( 0.000 -1.232 0.000) 1.232 10.074 ( 0.000 -0.301 0.000) 0.301 10.137 ( 0.000 0.816 0.000) 0.816 10.192 ( 0.000 -4.995 0.000) 4.995 10.275 ( 0.000 -2.405 0.000) 2.405 10.313 ( 0.000 4.142 0.000) 4.142 10.460 ( 0.000 -1.366 0.000) 1.366 10.494 ( 0.000 -5.509 0.000) 5.509 10.605 ( 0.000 1.248 0.000) 1.248 10.724 ( 0.000 9.277 0.000) 9.277 10.751 ( 0.000 6.969 0.000) 6.969 10.793 ( 0.000 9.162 0.000) 9.162 10.823 ( 0.000 5.703 0.000) 5.703 11.101 ( 0.000 -4.826 0.000) 4.826 11.104 ( 0.000 -8.786 0.000) 8.786 11.219 ( 0.000 -6.409 0.000) 6.409 11.321 ( 0.000 -6.868 0.000) 6.868 11.441 ( 0.000 1.755 0.000) 1.755 11.458 ( 0.000 0.960 0.000) 0.960 11.694 ( 0.000 -0.001 0.000) 0.001 11.701 ( 0.000 3.532 0.000) 3.532 11.736 ( 0.000 -1.130 0.000) 1.130 11.904 ( 0.000 -3.207 0.000) 3.207 11.932 ( 0.000 3.386 0.000) 3.386 12.014 ( 0.000 -0.669 0.000) 0.669 12.383 ( 0.000 11.672 0.000) 11.672 12.434 ( 0.000 14.803 0.000) 14.803 12.507 ( 0.000 6.101 0.000) 6.101 12.577 ( 0.000 3.664 0.000) 3.664 12.646 ( 0.000 0.332 0.000) 0.332 12.691 ( 0.000 -2.707 0.000) 2.707 12.805 ( 0.000 8.139 0.000) 8.139 12.839 ( 0.000 -6.400 0.000) 6.400 12.983 ( 0.000 -10.428 0.000) 10.428 13.086 ( 0.000 7.344 0.000) 7.344 13.118 ( 0.000 7.488 0.000) 7.488 13.164 ( 0.000 -9.473 0.000) 9.473 13.189 ( 0.000 2.912 0.000) 2.912 13.238 ( 0.000 -2.742 0.000) 2.742 13.299 ( 0.000 8.981 0.000) 8.981 13.544 ( 0.000 -10.668 0.000) 10.668 13.650 ( 0.000 -6.497 0.000) 6.497 13.730 ( 0.000 -12.733 0.000) 12.733 13.765 ( 0.000 3.552 0.000) 3.552 13.862 ( 0.000 3.495 0.000) 3.495 13.873 ( 0.000 1.358 0.000) 1.358 13.939 ( 0.000 -4.686 0.000) 4.686 14.001 ( 0.000 7.567 0.000) 7.567 14.083 ( 0.000 6.945 0.000) 6.945 14.259 ( 0.000 -6.612 0.000) 6.612 14.542 ( 0.000 -10.942 0.000) 10.942 14.845 ( 0.000 0.519 0.000) 0.519 14.872 ( 0.000 -1.478 0.000) 1.478 14.952 ( 0.000 3.594 0.000) 3.594 15.032 ( 0.000 -0.365 0.000) 0.365 15.462 ( 0.000 0.786 0.000) 0.786 15.523 ( 0.000 -1.503 0.000) 1.503 15.754 ( 0.000 -1.440 0.000) 1.440 15.941 ( 0.000 -10.191 0.000) 10.191 ======================= Grid point 16 (11/55) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 12.518 15.110 1.862) 19.709 1.380 ( 5.892 18.925 -0.444) 19.826 1.641 ( 2.833 -4.187 -1.787) 5.362 1.735 ( -3.678 10.201 1.094) 10.899 1.816 ( -3.169 -1.341 -4.485) 5.653 1.907 ( -2.180 -2.397 -3.157) 4.524 1.923 ( -5.213 6.019 -2.526) 8.354 1.969 ( -3.722 1.902 4.319) 6.011 1.981 ( -2.183 1.681 -3.979) 4.840 2.096 ( -1.975 -1.667 0.975) 2.762 2.098 ( -0.492 2.002 3.581) 4.132 2.126 ( -0.003 -6.445 -0.818) 6.496 2.183 ( -0.561 0.193 3.368) 3.420 2.211 ( 0.800 2.880 -1.839) 3.510 2.228 ( 0.562 5.901 4.158) 7.240 2.305 ( 0.254 5.323 2.096) 5.726 2.309 ( 1.764 9.649 -1.103) 9.871 2.313 ( 0.369 8.085 -3.312) 8.745 2.350 ( -0.178 8.402 2.175) 8.681 2.411 ( -1.621 -0.399 -0.698) 1.810 2.446 ( 0.391 6.387 0.226) 6.403 2.462 ( -0.024 -1.970 -1.088) 2.251 2.498 ( -1.112 3.155 1.542) 3.684 2.550 ( -1.288 -0.679 0.179) 1.468 2.593 ( -1.081 0.106 0.671) 1.277 2.609 ( -0.566 1.522 0.352) 1.661 2.659 ( 1.847 5.675 -1.729) 6.214 2.702 ( 2.641 -1.137 0.652) 2.949 2.756 ( 0.895 8.315 1.747) 8.544 2.777 ( -2.239 -1.914 -1.036) 3.122 2.804 ( -1.779 -0.501 -0.463) 1.905 2.926 ( -0.323 4.281 -2.119) 4.788 2.948 ( -1.166 1.603 0.761) 2.123 2.986 ( -0.341 -0.167 1.235) 1.292 3.000 ( -1.225 0.226 -2.344) 2.655 3.028 ( 1.122 -3.691 -2.370) 4.527 3.069 ( 0.312 -2.328 5.033) 5.554 3.150 ( -3.022 -2.065 5.525) 6.627 3.169 ( -4.142 -1.793 2.896) 5.363 3.194 ( 2.159 -2.200 -4.004) 5.053 3.326 ( -1.980 -2.444 -0.662) 3.215 3.363 ( -0.030 -0.192 -0.082) 0.210 3.438 ( 1.017 0.154 -1.816) 2.087 3.514 ( -1.043 1.148 2.328) 2.797 3.602 ( 4.140 -1.051 -2.220) 4.814 3.670 ( 0.759 -1.792 2.713) 3.339 3.727 ( 1.417 1.115 -0.310) 1.829 3.784 ( 0.786 -0.495 -1.063) 1.412 3.848 ( 0.831 1.357 -3.193) 3.567 3.939 ( -2.904 4.840 0.458) 5.662 3.990 ( -0.197 -5.206 -1.984) 5.575 4.106 ( -6.438 -2.773 0.330) 7.018 4.348 ( -0.170 4.145 -0.532) 4.182 4.482 ( 4.951 0.153 3.508) 6.070 4.533 ( 1.537 1.652 -3.127) 3.856 4.608 ( 4.095 3.020 2.463) 5.653 4.666 ( 2.753 -3.147 0.418) 4.202 4.702 ( 1.659 6.443 -0.338) 6.662 4.799 ( 1.215 3.617 -0.407) 3.837 4.868 ( -0.637 11.081 -0.165) 11.100 4.894 ( 4.068 11.069 -0.285) 11.797 4.951 ( 0.330 17.163 1.102) 17.201 4.993 ( -2.790 12.617 1.196) 12.977 5.097 ( -0.418 11.994 1.580) 12.104 5.148 ( -1.755 23.900 0.072) 23.965 5.257 ( 0.893 3.620 -1.017) 3.865 5.359 ( -0.324 15.287 0.250) 15.292 5.454 ( -2.870 4.136 1.511) 5.256 5.498 ( 2.630 7.270 1.943) 7.971 5.626 ( 2.018 4.008 0.814) 4.560 5.723 ( 3.003 1.746 -4.308) 5.534 5.847 ( 1.951 -3.696 3.296) 5.323 5.903 ( 3.483 -4.823 0.483) 5.969 5.936 ( -0.296 -3.944 -0.794) 4.034 6.012 ( 1.069 -1.242 -0.984) 1.912 6.056 ( 1.202 -3.670 1.261) 4.063 6.141 ( -0.688 -3.422 -1.704) 3.884 6.288 ( 0.057 1.907 -1.739) 2.582 6.333 ( -0.551 1.682 0.747) 1.921 6.420 ( -0.867 -4.073 2.113) 4.670 6.450 ( -3.272 -2.727 -0.340) 4.273 6.490 ( 1.035 -6.112 -1.745) 6.440 6.712 ( -1.273 -5.927 -2.341) 6.498 6.737 ( -2.680 -7.352 2.149) 8.115 6.812 ( -4.000 -9.600 -4.191) 11.212 6.891 ( 6.571 -11.051 0.719) 12.877 6.970 ( 2.756 -11.292 1.669) 11.743 7.049 ( 3.275 -4.870 0.404) 5.883 7.112 ( 1.153 -8.779 1.392) 8.963 7.144 ( 3.743 -12.418 2.141) 13.145 7.306 ( -4.398 -4.906 -7.190) 9.752 7.352 ( -3.470 -5.136 -2.201) 6.577 7.392 ( -4.862 -2.949 0.613) 5.720 7.470 ( -0.406 -3.100 -5.019) 5.914 7.575 ( -1.035 0.172 -4.380) 4.504 7.628 ( -0.177 2.816 2.827) 3.994 7.656 ( -4.935 -6.702 4.174) 9.311 7.700 ( 0.273 2.354 2.039) 3.126 7.811 ( -0.355 2.220 0.856) 2.406 7.835 ( 3.551 -1.332 -1.371) 4.033 7.943 ( -0.490 -1.805 -2.180) 2.873 8.023 ( 0.155 0.457 1.431) 1.511 8.054 ( -1.051 1.216 1.417) 2.143 8.078 ( 1.494 1.118 3.061) 3.585 8.113 ( 6.158 4.690 -1.634) 7.911 8.161 ( 0.658 0.426 -2.318) 2.447 8.246 ( 1.625 1.159 0.930) 2.202 8.317 ( 0.902 1.316 -1.926) 2.501 8.420 ( -4.850 -0.422 -4.700) 6.767 8.438 ( -1.248 -1.523 -3.195) 3.753 8.467 ( -3.404 -0.163 -0.739) 3.487 8.530 ( 0.980 -0.663 -1.953) 2.284 8.648 ( 1.106 0.561 -5.400) 5.541 8.687 ( 2.208 4.287 2.091) 5.256 8.783 ( 4.769 -0.998 5.289) 7.191 8.816 ( 1.590 1.027 5.068) 5.410 8.877 ( -1.322 1.604 0.861) 2.250 8.925 ( 2.517 -2.105 1.109) 3.464 8.967 ( -2.115 0.951 1.433) 2.726 9.039 ( 6.897 -1.546 2.186) 7.398 9.161 ( 1.235 11.284 4.053) 12.053 9.231 ( 7.261 6.747 -2.763) 10.290 9.253 ( 2.753 5.094 1.074) 5.889 9.294 ( 6.221 4.774 2.299) 8.172 9.455 ( 0.175 3.374 1.133) 3.564 9.506 ( 3.340 5.193 -3.856) 7.279 9.518 ( 1.070 -1.056 2.199) 2.664 9.600 ( 1.704 4.609 -1.788) 5.229 9.624 ( -0.178 5.070 2.982) 5.885 9.782 ( -6.286 -0.734 3.035) 7.018 9.845 ( 0.323 -1.756 5.204) 5.502 9.864 ( -1.798 4.543 -2.186) 5.353 9.920 ( -2.943 0.323 -3.296) 4.430 9.962 ( -5.461 2.499 -2.991) 6.709 10.075 ( 0.200 -1.107 2.948) 3.155 10.150 ( 1.761 -4.853 2.460) 5.719 10.227 ( 0.591 -0.511 0.652) 1.018 10.249 ( -1.666 0.083 2.316) 2.854 10.287 ( -0.236 3.195 -0.983) 3.351 10.415 ( -6.281 -2.450 -2.990) 7.375 10.473 ( -1.481 -0.688 -1.990) 2.575 10.586 ( -3.264 5.653 -5.450) 8.504 10.691 ( -5.577 11.337 -0.965) 12.672 10.770 ( 5.614 -1.094 -0.001) 5.720 10.797 ( 0.701 6.552 2.438) 7.026 10.855 ( 5.454 4.673 -0.694) 7.216 11.043 ( -2.770 -6.984 -2.557) 7.936 11.118 ( -1.580 -4.321 2.241) 5.118 11.215 ( -0.538 -6.275 1.078) 6.389 11.257 ( -7.270 -10.484 -3.014) 13.109 11.376 ( -5.346 -0.153 2.170) 5.771 11.450 ( -0.973 -0.708 2.229) 2.533 11.548 ( -12.810 4.932 -1.171) 13.777 11.603 ( -5.742 3.119 -1.742) 6.763 11.749 ( 3.438 4.096 -2.559) 5.928 11.819 ( -3.100 2.737 -4.317) 5.978 11.953 ( -2.485 0.635 5.879) 6.415 11.998 ( -5.627 0.242 5.185) 7.656 12.280 ( -5.198 4.386 -2.126) 7.126 12.391 ( -11.207 4.374 -1.529) 12.127 12.418 ( -3.047 7.028 -2.319) 8.004 12.510 ( -2.536 10.968 0.673) 11.277 12.606 ( 0.371 1.830 0.657) 1.980 12.641 ( 0.873 0.589 -0.793) 1.319 12.817 ( -0.041 -3.745 -4.307) 5.707 12.853 ( 4.096 5.061 -0.278) 6.517 13.029 ( 3.032 -10.755 1.373) 11.258 13.081 ( -0.887 7.475 0.506) 7.545 13.125 ( -0.607 -4.592 -1.008) 4.740 13.185 ( 3.837 10.486 -0.794) 11.194 13.270 ( 7.145 -1.520 1.448) 7.447 13.315 ( 7.438 0.652 -3.296) 8.162 13.416 ( 7.462 7.221 0.488) 10.395 13.491 ( -3.950 -10.401 0.073) 11.126 13.665 ( -6.261 0.078 -2.658) 6.802 13.687 ( -3.025 0.748 -0.651) 3.183 13.734 ( -6.766 1.664 -1.676) 7.167 13.776 ( -1.108 -9.732 0.247) 9.798 13.823 ( 5.442 -2.819 2.211) 6.515 13.953 ( 0.915 -3.931 0.157) 4.039 14.024 ( 0.556 4.407 -0.468) 4.466 14.082 ( 0.130 5.951 3.736) 7.028 14.371 ( -0.825 -8.569 5.054) 9.982 14.450 ( -6.764 -9.983 -0.744) 12.081 14.871 ( 2.510 2.452 -0.050) 3.509 14.947 ( 3.310 -0.229 0.354) 3.336 14.992 ( 5.379 3.527 0.012) 6.432 15.091 ( 3.890 -0.352 0.201) 3.911 15.521 ( 4.664 -0.354 0.487) 4.702 15.627 ( 8.573 -5.993 -0.434) 10.469 15.744 ( -0.449 -1.316 -0.128) 1.396 15.926 ( -1.967 -10.043 0.208) 10.236 ======================= Grid point 17 (12/55) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 0.000 10.972 0.000) 10.972 1.497 ( 0.000 10.826 -0.000) 10.826 1.633 ( -0.000 13.640 0.000) 13.640 1.698 ( 0.000 3.157 -0.000) 3.157 1.706 ( -0.000 5.872 -0.000) 5.872 1.808 ( 0.000 2.442 -0.000) 2.442 1.885 ( 0.000 1.906 0.000) 1.906 1.934 ( 0.000 -2.669 -0.000) 2.669 1.979 ( 0.000 -2.579 0.000) 2.579 2.041 ( 0.000 -4.485 0.000) 4.485 2.103 ( 0.000 4.796 0.000) 4.796 2.146 ( -0.000 -8.412 0.000) 8.412 2.160 ( 0.000 0.878 -0.000) 0.878 2.236 ( 0.000 2.635 -0.000) 2.635 2.248 ( -0.000 5.031 0.000) 5.031 2.292 ( 0.000 4.994 0.000) 4.994 2.324 ( 0.000 6.274 0.000) 6.274 2.325 ( 0.000 5.628 -0.000) 5.628 2.344 ( 0.000 7.652 -0.000) 7.652 2.391 ( 0.000 6.294 0.000) 6.294 2.454 ( 0.000 2.692 -0.000) 2.692 2.483 ( 0.000 3.082 -0.000) 3.082 2.503 ( 0.000 -0.506 0.000) 0.506 2.503 ( -0.000 8.592 -0.000) 8.592 2.565 ( 0.000 -5.385 -0.000) 5.385 2.644 ( -0.000 6.267 -0.000) 6.267 2.648 ( 0.000 2.706 0.000) 2.706 2.745 ( 0.000 -0.426 0.000) 0.426 2.746 ( -0.000 3.353 -0.000) 3.353 2.776 ( 0.000 -3.088 -0.000) 3.088 2.793 ( 0.000 7.278 0.000) 7.278 2.902 ( 0.000 1.585 -0.000) 1.585 2.936 ( 0.000 1.120 -0.000) 1.120 2.971 ( 0.000 -1.803 -0.000) 1.803 3.013 ( 0.000 -6.266 -0.000) 6.266 3.048 ( 0.000 0.555 -0.000) 0.555 3.056 ( -0.000 -0.431 0.000) 0.431 3.111 ( 0.000 3.329 0.000) 3.329 3.122 ( 0.000 -4.211 -0.000) 4.211 3.255 ( 0.000 -3.627 -0.000) 3.627 3.299 ( 0.000 3.215 -0.000) 3.215 3.318 ( 0.000 -6.385 0.000) 6.385 3.457 ( 0.000 -3.533 0.000) 3.533 3.516 ( 0.000 -3.521 0.000) 3.521 3.636 ( 0.000 6.402 -0.000) 6.402 3.706 ( 0.000 0.780 -0.000) 0.780 3.758 ( 0.000 2.049 0.000) 2.049 3.775 ( 0.000 0.378 0.000) 0.378 3.855 ( 0.000 1.199 0.000) 1.199 3.898 ( 0.000 0.949 -0.000) 0.949 3.958 ( 0.000 -4.968 0.000) 4.968 4.050 ( 0.000 -4.509 -0.000) 4.509 4.332 ( 0.000 5.205 -0.000) 5.205 4.523 ( 0.000 0.060 -0.000) 0.060 4.567 ( 0.000 3.771 0.000) 3.771 4.695 ( -0.000 5.956 0.000) 5.956 4.713 ( 0.000 -0.162 -0.000) 0.162 4.724 ( 0.000 4.813 0.000) 4.813 4.783 ( 0.000 7.787 0.000) 7.787 4.863 ( 0.000 9.210 -0.000) 9.210 4.939 ( 0.000 -1.622 -0.000) 1.622 4.960 ( 0.000 11.119 0.000) 11.119 5.004 ( 0.000 14.979 -0.000) 14.979 5.077 ( 0.000 23.360 -0.000) 23.360 5.111 ( -0.000 22.785 0.000) 22.785 5.242 ( 0.000 14.170 0.000) 14.170 5.394 ( -0.000 4.534 -0.000) 4.534 5.396 ( 0.000 2.937 0.000) 2.937 5.546 ( 0.000 7.347 0.000) 7.347 5.633 ( 0.000 4.124 0.000) 4.124 5.773 ( 0.000 0.045 -0.000) 0.045 5.851 ( 0.000 -3.198 0.000) 3.198 5.959 ( 0.000 -4.816 0.000) 4.816 5.981 ( 0.000 -3.912 -0.000) 3.912 6.008 ( 0.000 -3.004 0.000) 3.004 6.072 ( 0.000 -5.342 0.000) 5.342 6.141 ( 0.000 -2.178 0.000) 2.178 6.269 ( 0.000 5.136 -0.000) 5.136 6.365 ( 0.000 -2.366 0.000) 2.366 6.381 ( 0.000 -2.586 -0.000) 2.586 6.395 ( -0.000 0.614 0.000) 0.614 6.540 ( 0.000 -4.749 0.000) 4.749 6.594 ( -0.000 -13.189 -0.000) 13.189 6.713 ( 0.000 -4.663 0.000) 4.663 6.784 ( 0.000 -2.263 0.000) 2.263 6.977 ( 0.000 -16.349 -0.000) 16.349 6.999 ( 0.000 -8.386 0.000) 8.386 7.065 ( 0.000 -6.123 -0.000) 6.123 7.175 ( 0.000 -10.205 -0.000) 10.205 7.204 ( -0.000 -9.072 -0.000) 9.072 7.261 ( 0.000 -10.977 0.000) 10.977 7.277 ( 0.000 -19.848 0.000) 19.848 7.281 ( -0.000 4.190 -0.000) 4.190 7.528 ( 0.000 5.014 0.000) 5.014 7.567 ( 0.000 7.531 0.000) 7.531 7.600 ( 0.000 -11.302 -0.000) 11.302 7.670 ( 0.000 8.023 0.000) 8.023 7.679 ( -0.000 -4.054 -0.000) 4.054 7.831 ( 0.000 6.196 0.000) 6.196 7.884 ( 0.000 -0.255 0.000) 0.255 7.960 ( -0.000 -11.279 0.000) 11.279 8.019 ( 0.000 0.279 0.000) 0.279 8.020 ( 0.000 -4.419 -0.000) 4.419 8.048 ( 0.000 0.969 -0.000) 0.969 8.157 ( 0.000 6.494 0.000) 6.494 8.205 ( 0.000 4.886 -0.000) 4.886 8.238 ( 0.000 1.228 0.000) 1.228 8.316 ( 0.000 1.040 -0.000) 1.040 8.330 ( 0.000 4.615 -0.000) 4.615 8.399 ( 0.000 -3.460 0.000) 3.460 8.487 ( 0.000 -2.618 -0.000) 2.618 8.510 ( -0.000 -0.501 -0.000) 0.501 8.663 ( -0.000 -0.502 0.000) 0.502 8.732 ( 0.000 4.751 0.000) 4.751 8.797 ( 0.000 3.112 0.000) 3.112 8.848 ( 0.000 5.146 -0.000) 5.146 8.858 ( 0.000 -1.617 0.000) 1.617 8.947 ( 0.000 1.477 0.000) 1.477 8.980 ( 0.000 -4.299 0.000) 4.299 9.129 ( 0.000 5.436 -0.000) 5.436 9.238 ( -0.000 1.690 -0.000) 1.690 9.263 ( 0.000 8.726 0.000) 8.726 9.285 ( 0.000 9.092 0.000) 9.092 9.495 ( -0.000 1.646 -0.000) 1.646 9.497 ( 0.000 8.646 0.000) 8.646 9.505 ( 0.000 -2.637 -0.000) 2.637 9.529 ( -0.000 3.947 0.000) 3.947 9.548 ( 0.000 6.228 0.000) 6.228 9.687 ( -2.862 0.961 -1.395) 3.326 9.687 ( 2.862 2.082 1.395) 3.804 9.850 ( 0.000 4.720 0.000) 4.720 9.869 ( 0.000 1.955 -0.000) 1.955 9.899 ( 0.000 -2.017 0.000) 2.017 9.912 ( -0.000 -0.929 0.000) 0.929 10.008 ( 0.000 0.901 0.000) 0.901 10.184 ( -0.000 -3.100 0.000) 3.100 10.187 ( 0.000 5.731 0.000) 5.731 10.217 ( 0.000 -1.187 -0.000) 1.187 10.316 ( 0.000 4.293 -0.000) 4.293 10.353 ( 0.000 0.327 0.000) 0.327 10.365 ( 0.000 7.154 0.000) 7.154 10.504 ( 0.000 2.898 -0.000) 2.898 10.695 ( 0.000 1.418 -0.000) 1.418 10.802 ( 0.000 5.720 0.000) 5.720 10.864 ( 0.000 -8.111 0.000) 8.111 10.958 ( 0.000 7.936 0.000) 7.936 11.035 ( 0.000 -7.861 0.000) 7.861 11.051 ( 0.000 2.829 -0.000) 2.829 11.064 ( 0.000 -15.850 0.000) 15.850 11.213 ( 0.000 -6.263 0.000) 6.263 11.311 ( 0.000 0.854 0.000) 0.854 11.405 ( 0.000 9.634 -0.000) 9.634 11.455 ( 0.000 -1.544 0.000) 1.544 11.527 ( 0.000 4.340 -0.000) 4.340 11.748 ( 0.000 5.690 -0.000) 5.690 11.850 ( 0.000 3.485 -0.000) 3.485 11.868 ( -0.000 -0.536 0.000) 0.536 11.927 ( 0.000 -0.019 0.000) 0.019 12.227 ( 0.000 0.668 -0.000) 0.668 12.254 ( 0.000 -0.925 0.000) 0.925 12.438 ( 0.000 8.718 -0.000) 8.718 12.470 ( 0.000 12.936 0.000) 12.936 12.611 ( 0.000 4.533 -0.000) 4.533 12.653 ( 0.000 0.565 0.000) 0.565 12.801 ( 0.000 -4.948 -0.000) 4.948 12.910 ( 0.000 3.069 -0.000) 3.069 13.069 ( -0.000 6.164 0.000) 6.164 13.070 ( 0.000 -12.735 -0.000) 12.735 13.120 ( 0.000 -2.728 0.000) 2.728 13.227 ( 0.000 13.057 0.000) 13.057 13.368 ( 0.000 3.419 0.000) 3.419 13.438 ( 0.000 -9.972 0.000) 9.972 13.488 ( 0.000 0.249 0.000) 0.249 13.499 ( -0.000 2.718 -0.000) 2.718 13.520 ( 0.000 -3.326 0.000) 3.326 13.615 ( 0.000 5.925 0.000) 5.925 13.693 ( 0.000 5.884 0.000) 5.884 13.735 ( 0.000 -6.112 0.000) 6.112 13.907 ( -0.000 0.088 -0.000) 0.088 13.955 ( 0.000 -4.193 0.000) 4.193 14.007 ( 0.000 -0.345 0.000) 0.345 14.141 ( 0.000 -3.697 0.000) 3.697 14.320 ( 0.000 -8.368 0.000) 8.368 14.356 ( 0.000 -8.390 -0.000) 8.390 14.898 ( 0.000 3.738 -0.000) 3.738 14.978 ( 0.000 1.312 0.000) 1.312 15.083 ( 0.000 3.330 -0.000) 3.330 15.127 ( 0.000 0.761 0.000) 0.761 15.592 ( 0.000 -0.902 0.000) 0.902 15.686 ( 0.000 -3.633 -0.000) 3.633 15.836 ( 0.000 -8.974 -0.000) 8.974 15.844 ( -0.000 -8.618 -0.000) 8.618 ======================= Grid point 20 (13/55) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.000 -16.011 0.000) 16.011 1.381 ( 0.000 16.011 0.000) 16.011 1.676 ( 0.000 -16.158 0.000) 16.158 1.676 ( 0.000 16.158 0.000) 16.158 1.908 ( 0.000 -2.296 0.000) 2.296 1.908 ( 0.000 2.296 0.000) 2.296 1.954 ( 0.000 -6.692 0.000) 6.692 1.954 ( 0.000 6.692 0.000) 6.692 2.051 ( 0.000 -2.318 0.000) 2.318 2.051 ( 0.000 2.318 0.000) 2.318 2.137 ( 0.000 -2.424 0.000) 2.424 2.137 ( 0.000 2.424 0.000) 2.424 2.248 ( 0.000 -3.467 0.000) 3.467 2.248 ( 0.000 3.467 0.000) 3.467 2.348 ( 0.000 -1.009 0.000) 1.009 2.348 ( 0.000 1.009 0.000) 1.009 2.366 ( 0.000 -1.870 0.000) 1.870 2.366 ( 0.000 1.870 0.000) 1.870 2.405 ( 0.000 -4.265 0.000) 4.265 2.405 ( 0.000 4.265 0.000) 4.265 2.463 ( 0.000 -2.600 0.000) 2.600 2.463 ( 0.000 2.600 0.000) 2.600 2.548 ( 0.000 -4.676 0.000) 4.676 2.548 ( 0.000 4.676 0.000) 4.676 2.647 ( 0.000 -0.488 0.000) 0.488 2.647 ( 0.000 0.488 0.000) 0.488 2.713 ( 0.000 -7.303 0.000) 7.303 2.713 ( 0.000 7.303 0.000) 7.303 2.780 ( 0.000 -13.276 0.000) 13.276 2.780 ( 0.000 13.276 0.000) 13.276 2.887 ( 0.000 -3.054 0.000) 3.054 2.887 ( 0.000 3.054 0.000) 3.054 2.984 ( 0.000 -0.493 0.000) 0.493 2.984 ( 0.000 0.493 0.000) 0.493 3.022 ( 0.000 -1.413 0.000) 1.413 3.022 ( 0.000 1.413 0.000) 1.413 3.068 ( 0.000 -0.965 0.000) 0.965 3.068 ( 0.000 0.965 0.000) 0.965 3.161 ( 0.000 -2.948 0.000) 2.948 3.161 ( 0.000 2.948 0.000) 2.948 3.389 ( 0.000 -5.870 0.000) 5.870 3.389 ( 0.000 5.870 0.000) 5.870 3.461 ( 0.000 -4.583 0.000) 4.583 3.461 ( 0.000 4.583 0.000) 4.583 3.591 ( 0.000 -3.455 0.000) 3.455 3.591 ( 0.000 3.455 0.000) 3.455 3.733 ( 0.000 -2.787 0.000) 2.787 3.733 ( 0.000 2.787 0.000) 2.787 3.907 ( 0.000 -2.961 0.000) 2.961 3.907 ( 0.000 2.961 0.000) 2.961 4.120 ( 0.000 -6.598 0.000) 6.598 4.120 ( 0.000 6.598 0.000) 6.598 4.376 ( 0.000 -3.919 0.000) 3.919 4.376 ( 0.000 3.919 0.000) 3.919 4.532 ( 0.000 -0.714 0.000) 0.714 4.532 ( 0.000 0.714 0.000) 0.714 4.659 ( 0.000 -1.123 0.000) 1.123 4.659 ( 0.000 1.123 0.000) 1.123 4.807 ( 0.000 -1.400 0.000) 1.400 4.807 ( 0.000 1.400 0.000) 1.400 5.032 ( 0.000 -2.997 0.000) 2.997 5.032 ( 0.000 2.997 0.000) 2.997 5.241 ( 0.000 -2.675 0.000) 2.675 5.241 ( 0.000 2.675 0.000) 2.675 5.428 ( 0.000 -9.070 0.000) 9.070 5.428 ( 0.000 9.070 0.000) 9.070 5.563 ( 0.000 -16.844 0.000) 16.844 5.563 ( 0.000 16.844 0.000) 16.844 5.587 ( 0.000 -4.828 0.000) 4.828 5.587 ( 0.000 4.828 0.000) 4.828 5.821 ( 0.000 -2.789 0.000) 2.789 5.821 ( 0.000 2.789 0.000) 2.789 5.911 ( 0.000 -6.781 0.000) 6.781 5.911 ( 0.000 6.781 0.000) 6.781 5.972 ( 0.000 -9.441 0.000) 9.441 5.972 ( 0.000 9.441 0.000) 9.441 6.213 ( 0.000 -13.408 0.000) 13.408 6.213 ( 0.000 13.408 0.000) 13.408 6.336 ( 0.000 -1.250 0.000) 1.250 6.336 ( 0.000 1.250 0.000) 1.250 6.408 ( 0.000 -9.693 0.000) 9.693 6.408 ( 0.000 9.693 0.000) 9.693 6.588 ( 0.000 -2.645 0.000) 2.645 6.588 ( 0.000 2.645 0.000) 2.645 6.785 ( 0.000 -0.856 0.000) 0.856 6.785 ( 0.000 0.856 0.000) 0.856 6.798 ( 0.000 -0.296 0.000) 0.296 6.798 ( 0.000 0.296 0.000) 0.296 7.022 ( 0.000 -0.460 0.000) 0.460 7.022 ( 0.000 0.460 0.000) 0.460 7.308 ( 0.000 -2.447 0.000) 2.447 7.308 ( 0.000 2.447 0.000) 2.447 7.547 ( 0.000 -5.627 0.000) 5.627 7.547 ( 0.000 5.627 0.000) 5.627 7.583 ( 0.000 -1.194 0.000) 1.194 7.583 ( 0.000 1.194 0.000) 1.194 7.681 ( 0.000 -1.098 0.000) 1.098 7.681 ( 0.000 1.098 0.000) 1.098 7.823 ( 0.000 -4.808 0.000) 4.808 7.823 ( 0.000 4.808 0.000) 4.808 7.974 ( 0.000 -2.051 0.000) 2.051 7.974 ( 0.000 2.051 0.000) 2.051 7.991 ( 0.000 -0.748 0.000) 0.748 7.991 ( 0.000 0.748 0.000) 0.748 8.180 ( 0.000 -1.860 0.000) 1.860 8.180 ( 0.000 1.860 0.000) 1.860 8.288 ( 0.000 -5.715 0.000) 5.715 8.288 ( 0.000 5.715 0.000) 5.715 8.481 ( 0.000 -3.288 0.000) 3.288 8.481 ( 0.000 3.288 0.000) 3.288 8.520 ( 0.000 -5.257 0.000) 5.257 8.520 ( 0.000 5.257 0.000) 5.257 8.672 ( 0.000 -1.057 0.000) 1.057 8.672 ( 0.000 1.057 0.000) 1.057 8.696 ( 0.000 -2.013 0.000) 2.013 8.696 ( 0.000 2.013 0.000) 2.013 8.860 ( 0.000 -0.746 0.000) 0.746 8.860 ( 0.000 0.746 0.000) 0.746 9.005 ( 0.000 -1.945 0.000) 1.945 9.005 ( 0.000 1.945 0.000) 1.945 9.206 ( 0.000 -2.498 0.000) 2.498 9.206 ( 0.000 2.498 0.000) 2.498 9.311 ( 0.000 -2.010 0.000) 2.010 9.311 ( 0.000 2.010 0.000) 2.010 9.456 ( 0.000 -0.278 0.000) 0.278 9.456 ( 0.000 0.278 0.000) 0.278 9.654 ( 0.000 -3.045 0.000) 3.045 9.654 ( 0.000 3.045 0.000) 3.045 9.737 ( 0.000 -0.854 0.000) 0.854 9.737 ( 0.000 0.854 0.000) 0.854 9.831 ( 0.000 -1.790 0.000) 1.790 9.831 ( 0.000 1.790 0.000) 1.790 10.009 ( 0.000 -3.366 0.000) 3.366 10.009 ( 0.000 3.366 0.000) 3.366 10.080 ( 0.000 -5.669 0.000) 5.669 10.080 ( 0.000 5.669 0.000) 5.669 10.198 ( 0.000 -4.523 0.000) 4.523 10.198 ( 0.000 4.523 0.000) 4.523 10.403 ( 0.000 -3.307 0.000) 3.307 10.403 ( 0.000 3.307 0.000) 3.307 10.515 ( 0.000 -7.830 0.000) 7.830 10.515 ( 0.000 7.830 0.000) 7.830 10.844 ( 0.000 -1.319 0.000) 1.319 10.844 ( 0.000 1.319 0.000) 1.319 10.913 ( 0.000 -7.947 0.000) 7.947 10.913 ( 0.000 7.947 0.000) 7.947 11.080 ( 0.000 -7.712 0.000) 7.712 11.080 ( 0.000 7.712 0.000) 7.712 11.122 ( 0.000 -12.627 0.000) 12.627 11.122 ( 0.000 12.627 0.000) 12.627 11.464 ( 0.000 -0.518 0.000) 0.518 11.464 ( 0.000 0.518 0.000) 0.518 11.696 ( 0.000 -0.411 0.000) 0.411 11.696 ( 0.000 0.411 0.000) 0.411 11.819 ( 0.000 -5.497 0.000) 5.497 11.819 ( 0.000 5.497 0.000) 5.497 11.985 ( 0.000 -2.248 0.000) 2.248 11.985 ( 0.000 2.248 0.000) 2.248 12.592 ( 0.000 -7.087 0.000) 7.087 12.592 ( 0.000 7.087 0.000) 7.087 12.629 ( 0.000 -1.974 0.000) 1.974 12.629 ( 0.000 1.974 0.000) 1.974 12.649 ( 0.000 -9.489 0.000) 9.489 12.649 ( 0.000 9.489 0.000) 9.489 12.732 ( 0.000 -13.309 0.000) 13.309 12.732 ( 0.000 13.309 0.000) 13.309 12.978 ( 0.000 -9.749 0.000) 9.749 12.978 ( 0.000 9.749 0.000) 9.749 13.159 ( 0.000 -1.111 0.000) 1.111 13.159 ( 0.000 1.111 0.000) 1.111 13.304 ( 0.000 -8.788 0.000) 8.788 13.304 ( 0.000 8.788 0.000) 8.788 13.434 ( 0.000 -15.387 0.000) 15.387 13.434 ( 0.000 15.387 0.000) 15.387 13.503 ( 0.000 -8.562 0.000) 8.562 13.503 ( 0.000 8.562 0.000) 8.562 13.842 ( 0.000 -4.439 0.000) 4.439 13.842 ( 0.000 4.439 0.000) 4.439 13.903 ( 0.000 -0.665 0.000) 0.665 13.903 ( 0.000 0.665 0.000) 0.665 14.129 ( 0.000 -6.925 0.000) 6.925 14.129 ( 0.000 6.925 0.000) 6.925 14.301 ( 0.000 -13.615 0.000) 13.615 14.301 ( 0.000 13.615 0.000) 13.615 14.855 ( 0.000 -0.561 0.000) 0.561 14.855 ( 0.000 0.561 0.000) 0.561 15.010 ( 0.000 -2.235 0.000) 2.235 15.010 ( 0.000 2.235 0.000) 2.235 15.490 ( 0.000 -1.944 0.000) 1.944 15.490 ( 0.000 1.944 0.000) 1.944 15.789 ( 0.000 -5.364 0.000) 5.364 15.789 ( 0.000 5.364 0.000) 5.364 ======================= Grid point 22 (14/55) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 7.053 -13.043 -0.098) 14.828 1.459 ( 7.053 13.043 -0.098) 14.828 1.693 ( 1.359 -12.831 -1.192) 12.957 1.693 ( 1.359 12.831 -1.192) 12.957 1.881 ( 0.115 -1.511 -4.762) 4.998 1.881 ( 0.115 1.511 -4.762) 4.998 1.940 ( -0.950 -8.820 -0.012) 8.871 1.940 ( -0.950 8.820 -0.012) 8.871 2.028 ( -5.400 -3.501 3.031) 7.114 2.028 ( -5.400 3.501 3.031) 7.114 2.120 ( -5.171 -4.668 -0.916) 7.026 2.120 ( -5.171 4.668 -0.916) 7.026 2.176 ( -0.204 -3.136 2.373) 3.938 2.176 ( -0.204 3.136 2.373) 3.938 2.355 ( -0.168 -1.592 -1.010) 1.893 2.355 ( -0.168 1.592 -1.010) 1.893 2.363 ( 0.620 -3.888 1.030) 4.070 2.363 ( 0.620 3.888 1.030) 4.070 2.414 ( -0.579 -5.376 0.524) 5.432 2.414 ( -0.579 5.376 0.524) 5.432 2.476 ( 1.215 -1.095 1.067) 1.952 2.476 ( 1.215 1.095 1.067) 1.952 2.554 ( 0.940 -4.994 -0.371) 5.096 2.554 ( 0.940 4.994 -0.371) 5.096 2.645 ( -0.466 -3.343 -1.888) 3.868 2.645 ( -0.466 3.343 -1.888) 3.868 2.730 ( 1.699 -3.598 0.882) 4.076 2.730 ( 1.699 3.598 0.882) 4.076 2.773 ( -0.477 -7.946 0.986) 8.021 2.773 ( -0.477 7.946 0.986) 8.021 2.875 ( -1.641 -3.281 -1.078) 3.824 2.875 ( -1.641 3.281 -1.078) 3.824 2.950 ( -1.509 -4.053 1.659) 4.632 2.950 ( -1.509 4.053 1.659) 4.632 3.036 ( -1.176 -2.211 -1.532) 2.936 3.036 ( -1.176 2.211 -1.532) 2.936 3.083 ( -0.476 -3.373 5.625) 6.576 3.083 ( -0.476 3.373 5.625) 6.576 3.146 ( 1.100 -1.787 -2.819) 3.514 3.146 ( 1.100 1.787 -2.819) 3.514 3.330 ( -2.943 -2.687 0.296) 3.996 3.330 ( -2.943 2.687 0.296) 3.996 3.477 ( -1.153 -3.154 -1.077) 3.527 3.477 ( -1.153 3.154 -1.077) 3.527 3.625 ( 3.797 -2.429 0.682) 4.558 3.625 ( 3.797 2.429 0.682) 4.558 3.764 ( 2.255 -1.910 0.564) 3.008 3.764 ( 2.255 1.910 0.564) 3.008 3.892 ( -0.341 -3.649 -2.228) 4.289 3.892 ( -0.341 3.649 -2.228) 4.289 4.039 ( -5.711 -4.329 -1.149) 7.257 4.039 ( -5.711 4.329 -1.149) 7.257 4.437 ( 1.700 -4.477 2.484) 5.395 4.437 ( 1.700 4.477 2.484) 5.395 4.561 ( 4.503 -2.474 -0.173) 5.140 4.561 ( 4.503 2.474 -0.173) 5.140 4.700 ( 3.309 -2.832 -0.265) 4.363 4.700 ( 3.309 2.832 -0.265) 4.363 4.833 ( 2.201 -2.321 -1.042) 3.364 4.833 ( 2.201 2.321 -1.042) 3.364 5.000 ( -3.686 -3.667 3.694) 6.378 5.000 ( -3.686 3.667 3.694) 6.378 5.260 ( 0.605 -2.040 -0.688) 2.236 5.260 ( 0.605 2.040 -0.688) 2.236 5.405 ( -2.253 -4.792 0.669) 5.337 5.405 ( -2.253 4.792 0.669) 5.337 5.590 ( 4.269 -14.366 0.514) 14.995 5.590 ( 4.269 14.366 0.514) 14.995 5.667 ( 6.161 -6.446 -0.257) 8.921 5.667 ( 6.161 6.446 -0.257) 8.921 5.808 ( -0.694 -2.898 -2.663) 3.997 5.808 ( -0.694 2.898 -2.663) 3.997 5.884 ( -3.138 -6.974 3.296) 8.328 5.884 ( -3.138 6.974 3.296) 8.328 5.946 ( -1.458 -7.499 -1.625) 7.810 5.946 ( -1.458 7.499 -1.625) 7.810 6.208 ( -1.235 -12.175 0.579) 12.251 6.208 ( -1.235 12.175 0.579) 12.251 6.349 ( 0.306 -4.377 0.335) 4.400 6.349 ( 0.306 4.377 0.335) 4.400 6.427 ( 2.173 -5.006 0.279) 5.464 6.427 ( 2.173 5.006 0.279) 5.464 6.569 ( -1.450 -5.462 -0.133) 5.653 6.569 ( -1.450 5.462 -0.133) 5.653 6.776 ( -0.272 -2.291 -1.229) 2.614 6.776 ( -0.272 2.291 -1.229) 2.614 6.872 ( 5.137 -4.156 1.969) 6.895 6.872 ( 5.137 4.156 1.969) 6.895 7.036 ( 1.126 -0.192 -0.828) 1.411 7.036 ( 1.126 0.192 -0.828) 1.411 7.257 ( -7.592 -0.899 -7.335) 10.594 7.257 ( -7.592 0.899 -7.335) 10.594 7.411 ( -2.798 -3.064 0.836) 4.233 7.411 ( -2.798 3.064 0.836) 4.233 7.577 ( 0.303 -1.676 -2.799) 3.277 7.577 ( 0.303 1.676 -2.799) 3.277 7.694 ( 1.108 -2.225 4.460) 5.106 7.694 ( 1.108 2.225 4.460) 5.106 7.825 ( 1.782 -0.573 0.456) 1.926 7.825 ( 1.782 0.573 0.456) 1.926 7.971 ( -1.131 -2.827 -1.013) 3.209 7.971 ( -1.131 2.827 -1.013) 3.209 8.052 ( -0.830 -2.309 0.711) 2.555 8.052 ( -0.830 2.309 0.711) 2.555 8.192 ( 2.139 -2.653 0.048) 3.409 8.192 ( 2.139 2.653 0.048) 3.409 8.292 ( 1.204 -6.922 -3.010) 7.643 8.292 ( 1.204 6.922 -3.010) 7.643 8.458 ( -3.308 -2.351 -4.621) 6.150 8.458 ( -3.308 2.351 -4.621) 6.150 8.508 ( -0.784 -5.525 0.554) 5.608 8.508 ( -0.784 5.525 0.554) 5.608 8.670 ( 4.002 -5.271 -2.636) 7.124 8.670 ( 4.002 5.271 -2.636) 7.124 8.794 ( 2.894 -2.265 7.112) 8.005 8.794 ( 2.894 2.265 7.112) 8.005 8.892 ( 1.338 -1.034 -0.300) 1.717 8.892 ( 1.338 1.034 -0.300) 1.717 9.009 ( 2.082 -2.072 1.122) 3.145 9.009 ( 2.082 2.072 1.122) 3.145 9.290 ( 6.663 -1.782 2.621) 7.378 9.290 ( 6.663 1.782 2.621) 7.378 9.354 ( 3.504 -4.965 3.573) 7.050 9.354 ( 3.504 4.965 3.573) 7.050 9.442 ( -0.513 -0.982 -1.755) 2.076 9.442 ( -0.513 0.982 -1.755) 2.076 9.635 ( -1.194 -4.010 0.983) 4.298 9.635 ( -1.194 4.010 0.983) 4.298 9.771 ( -1.585 -3.758 3.283) 5.236 9.771 ( -1.585 3.758 3.283) 5.236 9.810 ( 1.907 -7.669 2.259) 8.219 9.810 ( 1.907 7.669 2.259) 8.219 9.973 ( -2.431 -3.940 -6.437) 7.929 9.973 ( -2.431 3.940 -6.437) 7.929 10.054 ( -4.414 -1.908 0.830) 4.880 10.054 ( -4.414 1.908 0.830) 4.880 10.237 ( 4.630 -1.431 2.479) 5.443 10.237 ( 4.630 1.431 2.479) 5.443 10.362 ( -2.182 -3.521 -3.487) 5.415 10.362 ( -2.182 3.521 -3.487) 5.415 10.538 ( 1.416 -9.114 0.881) 9.265 10.538 ( 1.416 9.114 0.881) 9.265 10.815 ( -0.956 -7.188 -1.816) 7.475 10.815 ( -0.956 7.188 -1.816) 7.475 10.932 ( -4.713 -6.721 2.053) 8.461 10.932 ( -4.713 6.721 2.053) 8.461 11.011 ( -4.701 -11.749 -3.381) 13.098 11.011 ( -4.701 11.749 -3.381) 13.098 11.097 ( 0.425 -5.412 -0.889) 5.501 11.097 ( 0.425 5.412 -0.889) 5.501 11.408 ( -4.296 -2.823 3.579) 6.264 11.408 ( -4.296 2.823 3.579) 6.264 11.618 ( -5.191 -1.580 -2.322) 5.902 11.618 ( -5.191 1.580 -2.322) 5.902 11.817 ( 1.174 -2.621 -3.072) 4.205 11.817 ( 1.174 2.621 -3.072) 4.205 11.979 ( -4.183 -1.881 5.926) 7.494 11.979 ( -4.183 1.881 5.926) 7.494 12.360 ( -12.592 -3.651 -2.203) 13.294 12.360 ( -12.592 3.651 -2.203) 13.294 12.613 ( -0.885 -1.706 -0.176) 1.930 12.613 ( -0.885 1.706 -0.176) 1.930 12.644 ( 0.515 -9.728 -2.030) 9.951 12.644 ( 0.515 9.728 -2.030) 9.951 12.785 ( 1.777 -13.508 0.950) 13.657 12.785 ( 1.777 13.508 0.950) 13.657 12.987 ( 1.743 -7.794 -1.387) 8.106 12.987 ( 1.743 7.794 -1.387) 8.106 13.257 ( 5.889 -3.487 0.996) 6.916 13.257 ( 5.889 3.487 0.996) 6.916 13.285 ( 0.078 -7.195 -0.200) 7.198 13.285 ( 0.078 7.195 -0.200) 7.198 13.487 ( 4.070 -14.410 -0.217) 14.975 13.487 ( 4.070 14.410 -0.217) 14.975 13.591 ( 4.744 -8.908 -1.035) 10.145 13.591 ( 4.744 8.908 -1.035) 10.145 13.727 ( -7.276 -1.771 -1.493) 7.636 13.727 ( -7.276 1.771 -1.493) 7.636 13.849 ( 0.392 -4.959 -1.078) 5.090 13.849 ( 0.392 4.959 -1.078) 5.090 14.191 ( -2.807 -6.904 3.860) 8.393 14.191 ( -2.807 6.904 3.860) 8.393 14.255 ( -3.019 -7.737 1.038) 8.370 14.255 ( -3.019 7.737 1.038) 8.370 14.917 ( 4.270 -2.252 0.216) 4.832 14.917 ( 4.270 2.252 0.216) 4.832 15.061 ( 4.622 -2.933 0.040) 5.474 15.061 ( 4.622 2.933 0.040) 5.474 15.546 ( 4.839 -2.881 -0.293) 5.640 15.546 ( 4.839 2.881 -0.293) 5.640 15.778 ( -1.313 -5.154 0.196) 5.322 15.778 ( -1.313 5.154 0.196) 5.322 ======================= Grid point 24 (15/55) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 0.000 -6.622 0.000) 6.622 1.581 ( 0.000 6.622 0.000) 6.622 1.691 ( 0.000 -3.207 -0.000) 3.207 1.691 ( 0.000 3.207 -0.000) 3.207 1.891 ( 0.000 -8.728 0.000) 8.728 1.891 ( 0.000 8.728 0.000) 8.728 1.916 ( 0.000 -4.059 0.000) 4.059 1.916 ( 0.000 4.059 0.000) 4.059 1.959 ( 0.000 -3.286 -0.000) 3.286 1.959 ( 0.000 3.286 -0.000) 3.286 2.017 ( -0.000 -8.632 -0.000) 8.632 2.017 ( 0.000 8.632 0.000) 8.632 2.204 ( 0.000 -3.110 0.000) 3.110 2.204 ( 0.000 3.110 0.000) 3.110 2.344 ( 0.000 -1.812 -0.000) 1.812 2.344 ( 0.000 1.812 -0.000) 1.812 2.376 ( 0.000 -1.110 0.000) 1.110 2.376 ( 0.000 1.110 0.000) 1.110 2.406 ( 0.000 -5.303 0.000) 5.303 2.406 ( 0.000 5.303 -0.000) 5.303 2.494 ( 0.000 -0.356 -0.000) 0.356 2.494 ( 0.000 0.356 0.000) 0.356 2.584 ( 0.000 -3.957 0.000) 3.957 2.584 ( 0.000 3.957 -0.000) 3.957 2.618 ( 0.000 -2.282 -0.000) 2.282 2.618 ( 0.000 2.282 0.000) 2.282 2.757 ( -0.000 -3.141 -0.000) 3.141 2.757 ( 0.000 3.141 0.000) 3.141 2.778 ( 0.000 -0.335 -0.000) 0.335 2.778 ( 0.000 0.335 -0.000) 0.335 2.829 ( -0.000 -2.186 -0.000) 2.186 2.829 ( 0.000 2.186 -0.000) 2.186 2.964 ( 0.000 -1.672 0.000) 1.672 2.964 ( 0.000 1.672 -0.000) 1.672 2.992 ( 0.000 -8.123 -0.000) 8.123 2.992 ( 0.000 8.123 0.000) 8.123 3.078 ( 0.000 -1.567 0.000) 1.567 3.078 ( 0.000 1.567 0.000) 1.567 3.187 ( 0.000 -4.058 0.000) 4.058 3.187 ( 0.000 4.058 0.000) 4.058 3.278 ( 0.000 -3.228 0.000) 3.228 3.278 ( -0.000 3.228 0.000) 3.228 3.450 ( 0.000 -3.006 -0.000) 3.006 3.450 ( 0.000 3.006 0.000) 3.006 3.705 ( 0.000 -1.073 -0.000) 1.073 3.705 ( 0.000 1.073 0.000) 1.073 3.790 ( 0.000 -0.150 -0.000) 0.150 3.790 ( 0.000 0.150 -0.000) 0.150 3.870 ( 0.000 -3.039 0.000) 3.039 3.870 ( 0.000 3.039 0.000) 3.039 3.965 ( 0.000 -4.424 0.000) 4.424 3.965 ( 0.000 4.424 -0.000) 4.424 4.449 ( 0.000 -6.187 -0.000) 6.187 4.449 ( 0.000 6.187 0.000) 6.187 4.634 ( 0.000 -3.996 0.000) 3.996 4.634 ( 0.000 3.996 0.000) 3.996 4.750 ( 0.000 -1.491 0.000) 1.491 4.750 ( 0.000 1.491 0.000) 1.491 4.867 ( 0.000 -4.096 -0.000) 4.096 4.867 ( 0.000 4.096 0.000) 4.096 4.945 ( -0.000 -2.413 0.000) 2.413 4.945 ( 0.000 2.413 -0.000) 2.413 5.260 ( 0.000 -0.576 -0.000) 0.576 5.260 ( 0.000 0.576 0.000) 0.576 5.372 ( 0.000 -5.186 0.000) 5.186 5.372 ( 0.000 5.186 0.000) 5.186 5.680 ( 0.000 -6.568 0.000) 6.568 5.680 ( 0.000 6.568 0.000) 6.568 5.765 ( -0.000 -4.138 0.000) 4.138 5.765 ( 0.000 4.138 0.000) 4.138 5.796 ( -0.000 -5.624 0.000) 5.624 5.796 ( 0.000 5.624 -0.000) 5.624 5.809 ( 0.000 -0.542 -0.000) 0.542 5.809 ( -0.000 0.542 0.000) 0.542 5.926 ( 0.000 -9.247 0.000) 9.247 5.926 ( 0.000 9.247 -0.000) 9.247 6.192 ( 0.000 -8.587 0.000) 8.587 6.192 ( 0.000 8.587 0.000) 8.587 6.345 ( 0.000 -0.571 -0.000) 0.571 6.345 ( 0.000 0.571 -0.000) 0.571 6.466 ( 0.000 -4.412 -0.000) 4.412 6.466 ( 0.000 4.412 -0.000) 4.412 6.545 ( -0.000 -10.673 -0.000) 10.673 6.545 ( 0.000 10.673 -0.000) 10.673 6.767 ( 0.000 -3.772 0.000) 3.772 6.767 ( 0.000 3.772 0.000) 3.772 6.945 ( -0.000 -6.999 -0.000) 6.999 6.945 ( 0.000 6.999 0.000) 6.999 7.020 ( 0.000 -3.412 -0.000) 3.412 7.020 ( 0.000 3.412 -0.000) 3.412 7.154 ( 0.000 -0.475 0.000) 0.475 7.154 ( 0.000 0.475 0.000) 0.475 7.405 ( 0.000 -8.827 0.000) 8.827 7.405 ( 0.000 8.827 0.000) 8.827 7.605 ( 0.000 -3.976 -0.000) 3.976 7.605 ( 0.000 3.976 0.000) 3.976 7.741 ( 0.000 -10.805 0.000) 10.805 7.741 ( 0.000 10.805 0.000) 10.805 7.815 ( 0.000 -6.548 0.000) 6.548 7.815 ( 0.000 6.548 0.000) 6.548 7.947 ( 0.000 -5.156 0.000) 5.156 7.947 ( 0.000 5.156 0.000) 5.156 8.008 ( 0.000 -2.779 -0.000) 2.779 8.008 ( 0.000 2.779 -0.000) 2.779 8.229 ( 0.000 -0.339 -0.000) 0.339 8.229 ( 0.000 0.339 -0.000) 0.339 8.299 ( 0.000 -7.263 -0.000) 7.263 8.299 ( 0.000 7.263 0.000) 7.263 8.405 ( 0.000 -5.407 -0.000) 5.407 8.405 ( 0.000 5.407 0.000) 5.407 8.488 ( 0.000 -7.468 0.000) 7.468 8.488 ( 0.000 7.468 0.000) 7.468 8.738 ( 0.000 -9.115 -0.000) 9.115 8.738 ( 0.000 9.115 -0.000) 9.115 8.824 ( 0.000 -2.222 0.000) 2.222 8.824 ( 0.000 2.222 0.000) 2.222 8.895 ( 0.000 -2.954 0.000) 2.954 8.895 ( 0.000 2.954 0.000) 2.954 9.057 ( 0.000 -7.434 0.000) 7.434 9.057 ( 0.000 7.434 -0.000) 7.434 9.367 ( 0.000 -4.824 0.000) 4.824 9.367 ( 0.000 4.824 -0.000) 4.824 9.428 ( 0.000 -3.766 -0.000) 3.766 9.428 ( 0.000 3.766 -0.000) 3.766 9.463 ( 0.000 -8.880 0.000) 8.880 9.463 ( 0.000 8.880 0.000) 8.880 9.639 ( 0.000 -0.838 0.000) 0.838 9.639 ( 0.000 0.838 -0.000) 0.838 9.728 ( 0.000 -0.086 -0.000) 0.086 9.728 ( 0.000 0.086 -0.000) 0.086 9.862 ( 0.000 -1.320 0.000) 1.320 9.862 ( 0.000 1.320 -0.000) 1.320 9.915 ( 0.000 -3.162 0.000) 3.162 9.915 ( 0.000 3.162 -0.000) 3.162 10.013 ( -0.000 -8.544 0.000) 8.544 10.013 ( 0.000 8.544 -0.000) 8.544 10.216 ( 0.000 -0.397 0.000) 0.397 10.216 ( 0.000 0.397 0.000) 0.397 10.410 ( 0.000 -1.886 0.000) 1.886 10.410 ( 0.000 1.886 0.000) 1.886 10.579 ( 0.000 -8.095 -0.000) 8.095 10.579 ( 0.000 8.095 -0.000) 8.095 10.722 ( 0.000 -10.922 -0.000) 10.922 10.722 ( 0.000 10.922 0.000) 10.922 10.806 ( 0.000 -6.880 0.000) 6.880 10.806 ( 0.000 6.880 0.000) 6.880 11.008 ( 0.000 -5.380 0.000) 5.380 11.008 ( 0.000 5.380 0.000) 5.380 11.107 ( 0.000 -5.667 0.000) 5.667 11.107 ( 0.000 5.667 0.000) 5.667 11.373 ( 0.000 -4.914 0.000) 4.914 11.373 ( 0.000 4.914 0.000) 4.914 11.545 ( 0.000 -3.137 -0.000) 3.137 11.545 ( 0.000 3.137 -0.000) 3.137 11.833 ( 0.000 -3.197 -0.000) 3.197 11.833 ( 0.000 3.197 -0.000) 3.197 11.905 ( 0.000 -2.195 0.000) 2.195 11.905 ( 0.000 2.195 0.000) 2.195 12.238 ( -0.000 -0.655 -0.000) 0.655 12.238 ( 0.000 0.655 0.000) 0.655 12.606 ( 0.000 -0.939 0.000) 0.939 12.606 ( 0.000 0.939 -0.000) 0.939 12.644 ( 0.000 -6.248 -0.000) 6.248 12.644 ( 0.000 6.248 -0.000) 6.248 12.805 ( 0.000 -14.331 -0.000) 14.331 12.805 ( 0.000 14.331 0.000) 14.331 13.010 ( 0.000 -6.292 0.000) 6.292 13.010 ( 0.000 6.292 0.000) 6.292 13.244 ( 0.000 -10.247 0.000) 10.247 13.244 ( 0.000 10.247 -0.000) 10.247 13.444 ( -0.000 -4.516 -0.000) 4.516 13.444 ( 0.000 4.516 0.000) 4.516 13.455 ( 0.000 -6.547 0.000) 6.547 13.455 ( 0.000 6.547 0.000) 6.547 13.572 ( 0.000 -7.569 0.000) 7.569 13.572 ( 0.000 7.569 -0.000) 7.569 13.765 ( 0.000 -9.215 -0.000) 9.215 13.765 ( -0.000 9.215 -0.000) 9.215 13.823 ( 0.000 -7.937 0.000) 7.937 13.823 ( 0.000 7.937 0.000) 7.937 14.147 ( -0.000 -9.727 -0.000) 9.727 14.147 ( 0.000 9.727 -0.000) 9.727 14.204 ( 0.000 -7.185 0.000) 7.185 14.204 ( 0.000 7.185 -0.000) 7.185 14.962 ( 0.000 -2.641 -0.000) 2.641 14.962 ( 0.000 2.641 0.000) 2.641 15.128 ( 0.000 -1.101 -0.000) 1.101 15.128 ( 0.000 1.101 0.000) 1.101 15.621 ( 0.000 -3.350 0.000) 3.350 15.621 ( 0.000 3.350 -0.000) 3.350 15.749 ( 0.000 -0.630 -0.000) 0.630 15.749 ( 0.000 0.630 -0.000) 0.630 ======================= Grid point 45 (16/55) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 1.628 0.000 23.285) 23.342 0.449 ( -2.169 0.000 23.786) 23.884 0.852 ( -1.328 0.000 44.621) 44.641 0.909 ( -3.129 0.000 7.364) 8.002 1.477 ( 2.915 0.000 -11.309) 11.678 1.519 ( 0.965 0.000 3.528) 3.658 1.549 ( -5.078 0.000 -15.879) 16.671 1.586 ( 2.836 0.000 -13.193) 13.495 1.868 ( -1.458 0.000 6.931) 7.082 1.958 ( 10.584 0.000 -5.385) 11.875 2.007 ( -2.015 0.000 7.167) 7.444 2.044 ( 0.672 0.000 3.533) 3.597 2.106 ( 1.524 0.000 -1.555) 2.177 2.112 ( -0.736 0.000 -0.460) 0.868 2.129 ( 2.782 0.000 -6.688) 7.243 2.149 ( -3.895 0.000 -4.258) 5.770 2.163 ( -0.803 0.000 -0.014) 0.803 2.185 ( 0.247 0.000 -0.701) 0.743 2.212 ( 0.612 0.000 -0.857) 1.053 2.237 ( 0.255 0.000 -1.574) 1.595 2.301 ( 1.096 0.000 1.578) 1.921 2.318 ( 1.519 0.000 2.795) 3.181 2.437 ( 0.352 0.000 1.047) 1.105 2.470 ( -0.682 0.000 -12.178) 12.197 2.526 ( -1.778 0.000 -1.400) 2.263 2.687 ( -1.909 0.000 -2.095) 2.835 2.693 ( 3.581 0.000 3.347) 4.902 2.751 ( -0.765 0.000 1.762) 1.921 2.760 ( -0.134 0.000 -1.589) 1.595 2.771 ( -2.658 0.000 -1.639) 3.122 2.843 ( -3.796 0.000 1.721) 4.168 2.893 ( -1.544 0.000 -1.249) 1.986 2.968 ( -0.055 0.000 -1.950) 1.950 2.971 ( -5.383 0.000 -1.614) 5.620 3.028 ( 8.019 0.000 -1.719) 8.202 3.112 ( -0.327 0.000 -3.091) 3.109 3.128 ( -2.203 0.000 1.693) 2.778 3.141 ( 1.314 0.000 -0.048) 1.314 3.178 ( 3.893 0.000 2.206) 4.474 3.235 ( 2.419 0.000 -3.177) 3.993 3.261 ( 0.777 0.000 1.735) 1.901 3.283 ( -1.721 0.000 2.006) 2.643 3.284 ( 1.730 0.000 0.046) 1.730 3.306 ( 0.850 0.000 3.197) 3.308 3.345 ( -2.236 0.000 5.245) 5.701 3.402 ( 0.562 0.000 -0.911) 1.071 3.462 ( -2.448 0.000 5.740) 6.240 3.466 ( 0.902 0.000 -7.715) 7.767 3.559 ( -6.595 0.000 2.189) 6.949 3.771 ( 1.322 0.000 -5.559) 5.714 3.781 ( 1.524 0.000 -0.116) 1.528 3.799 ( -3.916 0.000 1.904) 4.355 3.981 ( -3.317 0.000 1.724) 3.739 3.994 ( 1.419 0.000 4.604) 4.818 4.264 ( 10.682 0.000 3.646) 11.287 4.320 ( 0.854 0.000 1.257) 1.520 4.360 ( -2.652 0.000 1.705) 3.153 4.527 ( 3.427 0.000 0.853) 3.532 4.586 ( -0.163 0.000 -0.585) 0.608 4.650 ( -4.680 0.000 -0.793) 4.747 4.823 ( 2.339 0.000 -6.164) 6.593 4.880 ( -3.999 0.000 -4.873) 6.304 4.923 ( -5.808 0.000 -2.372) 6.273 5.103 ( 4.002 0.000 4.486) 6.011 5.159 ( -7.646 0.000 -12.041) 14.263 5.190 ( -2.801 0.000 3.509) 4.490 5.325 ( 7.213 0.000 -3.247) 7.910 5.355 ( -5.694 0.000 -3.214) 6.539 5.498 ( -2.544 0.000 1.589) 3.000 5.633 ( 6.241 0.000 7.628) 9.856 5.703 ( 0.123 0.000 9.806) 9.806 5.851 ( -3.266 0.000 -7.214) 7.919 5.937 ( -3.936 0.000 -0.426) 3.959 6.082 ( -0.150 0.000 -2.379) 2.383 6.146 ( 0.342 0.000 0.168) 0.381 6.205 ( -2.374 0.000 1.806) 2.983 6.226 ( -0.489 0.000 3.483) 3.517 6.342 ( 1.406 0.000 4.660) 4.867 6.465 ( -2.616 0.000 -2.253) 3.452 6.490 ( -3.891 0.000 -2.350) 4.545 6.577 ( -3.326 0.000 1.056) 3.489 6.581 ( 3.935 0.000 0.488) 3.966 6.683 ( -4.362 0.000 1.922) 4.766 6.772 ( -5.377 0.000 -6.526) 8.456 6.801 ( -0.442 0.000 0.397) 0.594 6.888 ( -0.668 0.000 -4.684) 4.731 7.073 ( -0.546 0.000 3.392) 3.435 7.107 ( -1.073 0.000 2.784) 2.984 7.139 ( 9.011 0.000 3.706) 9.743 7.175 ( -2.553 0.000 2.732) 3.739 7.375 ( 2.312 0.000 -1.185) 2.598 7.408 ( -3.431 0.000 1.656) 3.810 7.420 ( -0.825 0.000 0.764) 1.124 7.469 ( -1.278 0.000 0.255) 1.303 7.490 ( -0.959 0.000 -2.378) 2.564 7.591 ( -0.676 0.000 6.676) 6.710 7.752 ( -0.325 0.000 -0.492) 0.589 7.756 ( 1.616 0.000 -0.171) 1.625 7.821 ( 2.786 0.000 -5.026) 5.746 7.865 ( 4.212 0.000 -7.696) 8.773 7.995 ( 4.550 0.000 -0.153) 4.553 8.028 ( 2.203 0.000 7.539) 7.854 8.060 ( 0.185 0.000 -1.121) 1.136 8.106 ( 1.297 0.000 -2.058) 2.433 8.177 ( -3.392 0.000 1.443) 3.686 8.201 ( 1.087 0.000 3.113) 3.297 8.417 ( -0.318 0.000 -1.657) 1.688 8.477 ( 1.226 0.000 3.129) 3.361 8.488 ( -0.154 0.000 0.950) 0.962 8.493 ( 2.404 0.000 -0.880) 2.560 8.514 ( 2.658 0.000 0.467) 2.698 8.589 ( -1.626 0.000 1.327) 2.099 8.635 ( -8.082 0.000 -4.261) 9.137 8.650 ( 1.865 0.000 0.079) 1.867 8.692 ( 1.695 0.000 4.970) 5.251 8.741 ( 2.320 0.000 -0.268) 2.335 8.806 ( 2.772 0.000 -0.990) 2.943 8.861 ( 0.482 0.000 -0.465) 0.669 8.886 ( 0.037 0.000 -3.166) 3.166 8.905 ( -0.195 0.000 8.820) 8.822 8.942 ( -0.444 0.000 -3.113) 3.144 8.980 ( -0.583 0.000 -2.837) 2.896 9.167 ( -0.655 0.000 -8.128) 8.154 9.173 ( -0.894 0.000 9.191) 9.235 9.313 ( 5.802 0.000 8.467) 10.264 9.322 ( -2.462 0.000 0.779) 2.582 9.340 ( -4.406 0.000 -1.103) 4.542 9.406 ( 4.771 0.000 8.951) 10.143 9.546 ( -2.626 0.000 4.547) 5.251 9.638 ( 3.065 0.000 -9.051) 9.556 9.723 ( 1.770 0.000 -5.798) 6.062 9.731 ( 2.845 0.000 -12.632) 12.949 9.848 ( 1.416 0.000 -4.272) 4.500 9.904 ( -6.796 0.000 -7.984) 10.485 9.963 ( -8.878 0.000 -1.847) 9.068 10.019 ( 1.283 0.000 -2.587) 2.887 10.027 ( 2.425 0.000 5.678) 6.175 10.131 ( 5.112 0.000 0.051) 5.112 10.199 ( -1.865 0.000 5.348) 5.664 10.369 ( 8.100 0.000 5.297) 9.678 10.387 ( 3.997 0.000 0.419) 4.019 10.443 ( -4.058 0.000 -2.264) 4.647 10.562 ( 10.171 0.000 7.890) 12.872 10.832 ( -5.627 0.000 6.777) 8.808 10.940 ( -8.207 0.000 4.524) 9.372 11.053 ( -6.009 0.000 -7.699) 9.766 11.229 ( 2.046 0.000 -2.623) 3.326 11.237 ( 9.059 0.000 1.672) 9.212 11.372 ( 0.275 0.000 2.960) 2.973 11.444 ( -1.164 0.000 3.364) 3.560 11.446 ( -3.987 0.000 3.042) 5.015 11.560 ( 3.523 0.000 2.066) 4.084 11.624 ( 1.917 0.000 -2.705) 3.316 11.669 ( -3.938 0.000 -3.468) 5.247 11.729 ( -10.559 0.000 -4.700) 11.557 11.787 ( 1.530 0.000 -0.151) 1.537 11.803 ( -1.163 0.000 2.622) 2.869 11.867 ( 1.771 0.000 1.880) 2.583 12.081 ( 10.962 0.000 -0.176) 10.963 12.256 ( 2.047 0.000 -0.448) 2.096 12.265 ( -8.170 0.000 -2.662) 8.592 12.304 ( -28.007 0.000 -2.110) 28.086 12.442 ( -5.898 0.000 -1.631) 6.119 12.528 ( -13.871 0.000 -2.900) 14.170 12.537 ( 3.529 0.000 1.354) 3.780 12.599 ( -18.814 0.000 -0.805) 18.831 12.731 ( -6.276 0.000 -3.732) 7.302 12.788 ( 6.629 0.000 -4.067) 7.777 12.935 ( -0.383 0.000 1.420) 1.471 13.029 ( 14.146 0.000 -5.293) 15.103 13.325 ( 3.509 0.000 4.961) 6.077 13.491 ( 1.176 0.000 -0.619) 1.329 13.539 ( -1.219 0.000 6.008) 6.131 13.599 ( 1.520 0.000 -0.950) 1.792 13.613 ( -3.600 0.000 1.915) 4.078 13.650 ( 0.808 0.000 2.280) 2.419 13.666 ( -1.874 0.000 1.445) 2.366 13.933 ( 3.251 0.000 -2.097) 3.869 14.095 ( 0.254 0.000 -0.409) 0.481 14.119 ( -1.475 0.000 -0.290) 1.503 14.196 ( -25.064 0.000 1.393) 25.103 14.289 ( 4.303 0.000 -1.131) 4.449 14.712 ( 0.511 0.000 -0.283) 0.584 14.745 ( 0.809 0.000 -2.041) 2.196 14.883 ( -3.722 0.000 2.001) 4.225 14.892 ( -0.562 0.000 0.289) 0.632 15.007 ( 54.035 0.000 0.997) 54.044 15.173 ( -6.868 0.000 -3.467) 7.694 15.539 ( 4.334 0.000 4.257) 6.075 15.614 ( -6.233 0.000 0.726) 6.275 15.924 ( -0.945 0.000 2.248) 2.438 16.328 ( 1.399 0.000 -6.826) 6.968 ======================= Grid point 46 (17/55) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 4.868 0.000 18.958) 19.573 0.661 ( 13.465 0.000 16.788) 21.520 0.832 ( -7.741 0.000 7.489) 10.771 1.307 ( 5.587 0.000 17.559) 18.426 1.414 ( -0.404 0.000 -14.454) 14.460 1.471 ( 2.533 0.000 -0.571) 2.596 1.487 ( 4.156 0.000 -0.344) 4.170 1.585 ( 3.085 0.000 -12.947) 13.310 1.866 ( -1.785 0.000 6.723) 6.956 1.982 ( -3.554 0.000 0.051) 3.554 1.987 ( -3.117 0.000 1.319) 3.384 2.012 ( -3.991 0.000 -0.539) 4.028 2.069 ( 0.112 0.000 -0.129) 0.171 2.104 ( -0.390 0.000 -3.202) 3.226 2.124 ( -0.440 0.000 -2.512) 2.550 2.134 ( 1.906 0.000 -0.138) 1.911 2.187 ( -0.280 0.000 -4.283) 4.292 2.191 ( 0.096 0.000 -0.530) 0.538 2.237 ( 1.815 0.000 -1.197) 2.174 2.245 ( 2.150 0.000 -2.866) 3.583 2.254 ( -4.285 0.000 -2.138) 4.788 2.291 ( -6.610 0.000 0.195) 6.613 2.381 ( -3.554 0.000 -1.523) 3.866 2.412 ( 1.507 0.000 -1.932) 2.451 2.512 ( -3.155 0.000 4.413) 5.425 2.643 ( -2.045 0.000 0.028) 2.045 2.645 ( -0.147 0.000 -1.537) 1.544 2.735 ( 0.029 0.000 -0.612) 0.613 2.744 ( -2.187 0.000 0.309) 2.208 2.758 ( 0.093 0.000 -1.506) 1.508 2.819 ( -0.145 0.000 -0.562) 0.580 2.868 ( -3.246 0.000 -1.541) 3.594 2.920 ( 3.343 0.000 2.389) 4.109 2.963 ( 0.814 0.000 -2.171) 2.318 3.073 ( 1.108 0.000 -0.715) 1.319 3.115 ( -1.876 0.000 -1.229) 2.243 3.145 ( 0.685 0.000 1.951) 2.068 3.149 ( 3.746 0.000 -3.540) 5.154 3.193 ( -2.206 0.000 1.384) 2.604 3.235 ( -2.064 0.000 1.431) 2.512 3.236 ( -1.329 0.000 -3.914) 4.134 3.254 ( -1.756 0.000 1.986) 2.650 3.299 ( 0.926 0.000 2.920) 3.064 3.351 ( -0.560 0.000 6.251) 6.276 3.413 ( 0.262 0.000 1.128) 1.158 3.417 ( 0.126 0.000 0.185) 0.224 3.474 ( -0.867 0.000 1.422) 1.665 3.478 ( 7.001 0.000 0.288) 7.007 3.561 ( 9.082 0.000 -6.960) 11.442 3.690 ( -5.932 0.000 0.658) 5.968 3.723 ( -4.373 0.000 -5.173) 6.774 3.830 ( -1.596 0.000 0.932) 1.848 4.057 ( 2.241 0.000 3.858) 4.462 4.124 ( 12.100 0.000 -7.402) 14.184 4.279 ( -5.263 0.000 -1.431) 5.454 4.360 ( 3.228 0.000 -2.162) 3.886 4.469 ( 3.954 0.000 9.471) 10.264 4.553 ( -1.113 0.000 -3.876) 4.032 4.602 ( -0.236 0.000 -3.086) 3.095 4.675 ( 5.641 0.000 1.409) 5.815 4.689 ( -1.229 0.000 -5.368) 5.507 4.734 ( -7.280 0.000 -5.701) 9.246 4.903 ( 3.774 0.000 -3.939) 5.455 5.119 ( -0.674 0.000 -0.323) 0.748 5.169 ( 1.447 0.000 2.784) 3.137 5.184 ( 0.832 0.000 0.602) 1.027 5.323 ( 3.991 0.000 -0.289) 4.001 5.405 ( 9.667 0.000 5.550) 11.147 5.543 ( 0.124 0.000 2.724) 2.726 5.695 ( 0.256 0.000 -3.388) 3.398 5.789 ( 1.816 0.000 4.376) 4.738 5.958 ( 5.501 0.000 -2.253) 5.944 5.975 ( 8.371 0.000 2.604) 8.767 6.100 ( -3.802 0.000 2.203) 4.394 6.128 ( 4.643 0.000 -3.167) 5.621 6.177 ( -1.236 0.000 3.695) 3.896 6.290 ( -4.904 0.000 -2.832) 5.663 6.325 ( 1.456 0.000 3.765) 4.037 6.326 ( -4.235 0.000 5.393) 6.857 6.428 ( -1.657 0.000 -0.097) 1.660 6.505 ( -2.787 0.000 1.525) 3.177 6.653 ( 2.703 0.000 -0.832) 2.828 6.654 ( 0.355 0.000 0.826) 0.899 6.715 ( 1.236 0.000 -3.376) 3.596 6.818 ( 0.928 0.000 1.723) 1.957 6.855 ( -0.323 0.000 -3.554) 3.569 7.049 ( -4.695 0.000 1.680) 4.987 7.081 ( -1.774 0.000 4.887) 5.199 7.143 ( -1.338 0.000 4.749) 4.933 7.364 ( 9.586 0.000 0.422) 9.595 7.375 ( -0.989 0.000 2.126) 2.345 7.408 ( -3.012 0.000 1.380) 3.314 7.417 ( 1.335 0.000 -1.987) 2.393 7.444 ( 1.839 0.000 -4.540) 4.898 7.486 ( 1.363 0.000 1.250) 1.850 7.612 ( 0.135 0.000 5.407) 5.409 7.734 ( -2.991 0.000 3.510) 4.612 7.786 ( 1.766 0.000 -5.973) 6.229 7.886 ( 1.508 0.000 -9.567) 9.685 7.887 ( 4.102 0.000 -2.084) 4.601 7.982 ( -2.325 0.000 5.755) 6.207 8.060 ( 2.324 0.000 3.194) 3.950 8.079 ( -1.088 0.000 0.227) 1.112 8.111 ( -5.829 0.000 -1.356) 5.985 8.189 ( -8.276 0.000 -9.492) 12.594 8.221 ( 5.595 0.000 7.354) 9.240 8.325 ( 2.139 0.000 7.671) 7.964 8.374 ( -1.142 0.000 3.560) 3.739 8.450 ( -1.947 0.000 0.124) 1.951 8.503 ( -3.396 0.000 -1.698) 3.797 8.531 ( 0.314 0.000 3.491) 3.505 8.534 ( -2.420 0.000 3.204) 4.016 8.623 ( 1.192 0.000 4.217) 4.382 8.640 ( -1.692 0.000 0.173) 1.701 8.708 ( -1.721 0.000 0.061) 1.722 8.756 ( -2.735 0.000 -4.635) 5.382 8.802 ( -2.068 0.000 4.378) 4.842 8.894 ( -2.736 0.000 -0.488) 2.780 8.904 ( 1.688 0.000 -1.816) 2.480 8.928 ( 2.236 0.000 -0.845) 2.390 8.952 ( -0.643 0.000 6.422) 6.454 8.983 ( -4.760 0.000 -0.773) 4.823 9.006 ( 0.332 0.000 -6.097) 6.106 9.196 ( -0.119 0.000 5.559) 5.560 9.279 ( -0.035 0.000 -1.382) 1.383 9.395 ( 8.006 0.000 -1.870) 8.222 9.463 ( 6.909 0.000 0.484) 6.926 9.466 ( 0.436 0.000 -5.081) 5.099 9.649 ( -0.579 0.000 -9.036) 9.054 9.665 ( 7.472 0.000 3.396) 8.208 9.682 ( -1.118 0.000 -8.576) 8.649 9.740 ( -1.377 0.000 0.470) 1.455 9.824 ( 4.360 0.000 -3.380) 5.517 9.861 ( -2.100 0.000 11.996) 12.179 9.944 ( 5.901 0.000 -3.066) 6.651 10.022 ( -0.047 0.000 -3.175) 3.176 10.101 ( 2.733 0.000 4.606) 5.355 10.183 ( -9.230 0.000 0.956) 9.279 10.185 ( -1.816 0.000 6.987) 7.219 10.235 ( 0.895 0.000 0.811) 1.208 10.428 ( -10.460 0.000 6.876) 12.517 10.540 ( -0.720 0.000 -3.737) 3.806 10.662 ( -3.606 0.000 1.008) 3.744 10.687 ( -12.188 0.000 14.338) 18.818 10.763 ( -9.720 0.000 3.193) 10.231 10.797 ( -6.789 0.000 10.693) 12.666 11.097 ( -10.180 0.000 3.259) 10.689 11.182 ( -12.623 0.000 1.767) 12.746 11.194 ( -14.570 0.000 0.600) 14.582 11.285 ( 3.781 0.000 -3.440) 5.112 11.369 ( 3.779 0.000 -0.184) 3.784 11.473 ( 4.298 0.000 0.689) 4.353 11.501 ( -0.996 0.000 0.530) 1.128 11.536 ( -1.241 0.000 -2.231) 2.554 11.609 ( -2.340 0.000 -0.537) 2.401 11.677 ( -4.297 0.000 0.690) 4.352 11.830 ( -2.646 0.000 -0.742) 2.748 11.831 ( -1.616 0.000 0.218) 1.630 12.081 ( 1.826 0.000 -2.180) 2.844 12.244 ( -2.473 0.000 -0.024) 2.473 12.293 ( -2.130 0.000 0.444) 2.176 12.341 ( 5.197 0.000 -0.648) 5.237 12.381 ( -3.712 0.000 5.172) 6.367 12.415 ( -4.674 0.000 -0.773) 4.737 12.574 ( -0.353 0.000 2.379) 2.405 12.704 ( 15.357 0.000 -2.566) 15.570 12.750 ( 12.338 0.000 -3.300) 12.771 12.917 ( 6.489 0.000 -2.073) 6.812 12.978 ( 5.185 0.000 -0.735) 5.237 13.210 ( 6.212 0.000 -6.705) 9.140 13.371 ( -5.580 0.000 3.364) 6.516 13.480 ( 0.440 0.000 3.576) 3.603 13.519 ( 0.940 0.000 -1.278) 1.587 13.587 ( -5.239 0.000 -0.412) 5.255 13.618 ( 0.506 0.000 0.070) 0.510 13.640 ( -2.184 0.000 3.496) 4.122 13.645 ( 2.498 0.000 0.902) 2.656 13.846 ( -10.018 0.000 6.717) 12.062 13.891 ( -6.513 0.000 -1.112) 6.607 14.109 ( 0.225 0.000 -0.710) 0.745 14.185 ( 5.694 0.000 0.637) 5.730 14.405 ( 6.701 0.000 1.016) 6.778 14.667 ( -7.092 0.000 -1.869) 7.334 14.728 ( -3.689 0.000 -2.694) 4.569 14.798 ( -3.325 0.000 -1.779) 3.771 14.808 ( -1.647 0.000 1.916) 2.526 15.077 ( -6.220 0.000 5.569) 8.349 15.094 ( 2.047 0.000 -3.244) 3.835 15.717 ( 7.486 0.000 5.124) 9.071 15.902 ( -2.241 0.000 1.839) 2.899 16.107 ( 19.294 0.000 -16.772) 25.565 16.318 ( 0.905 0.000 -7.410) 7.465 ======================= Grid point 47 (18/55) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -11.222 0.000 10.424) 15.316 0.773 ( 4.551 0.000 13.365) 14.119 0.952 ( -23.057 0.000 -1.803) 23.128 1.063 ( 18.491 0.000 8.615) 20.400 1.438 ( 9.400 0.000 -12.043) 15.277 1.478 ( 2.706 0.000 -12.271) 12.566 1.589 ( 2.958 0.000 -13.017) 13.349 1.661 ( -22.700 0.000 4.956) 23.235 1.861 ( -1.895 0.000 7.119) 7.367 1.889 ( -6.525 0.000 3.926) 7.615 1.997 ( -1.271 0.000 7.137) 7.249 1.998 ( -3.000 0.000 -5.393) 6.171 2.012 ( 12.030 0.000 8.866) 14.944 2.100 ( -0.721 0.000 -1.472) 1.639 2.110 ( 1.079 0.000 -1.922) 2.204 2.155 ( 0.874 0.000 -1.966) 2.152 2.180 ( 2.027 0.000 1.876) 2.762 2.185 ( -0.135 0.000 -0.959) 0.968 2.196 ( -0.063 0.000 -4.921) 4.921 2.229 ( 6.927 0.000 7.030) 9.869 2.250 ( 0.545 0.000 -1.903) 1.980 2.295 ( 1.968 0.000 -4.689) 5.086 2.316 ( -2.274 0.000 -3.618) 4.274 2.416 ( -0.869 0.000 -2.423) 2.574 2.456 ( 0.312 0.000 -3.246) 3.261 2.650 ( 1.423 0.000 0.241) 1.444 2.655 ( -1.093 0.000 5.978) 6.077 2.716 ( 0.296 0.000 1.231) 1.266 2.757 ( 0.841 0.000 -2.343) 2.489 2.769 ( 2.125 0.000 -2.037) 2.944 2.809 ( 0.178 0.000 -2.181) 2.188 2.829 ( 0.751 0.000 -4.203) 4.270 2.978 ( 0.541 0.000 4.571) 4.603 3.006 ( 2.182 0.000 0.904) 2.362 3.015 ( -4.183 0.000 -0.904) 4.280 3.101 ( -0.397 0.000 2.833) 2.861 3.132 ( -1.868 0.000 -3.129) 3.644 3.156 ( 0.027 0.000 0.157) 0.159 3.197 ( -0.774 0.000 0.356) 0.852 3.214 ( -0.067 0.000 -4.601) 4.602 3.223 ( 2.316 0.000 0.531) 2.376 3.259 ( 0.744 0.000 3.734) 3.807 3.318 ( -0.907 0.000 3.134) 3.263 3.370 ( -0.667 0.000 6.699) 6.732 3.372 ( -2.560 0.000 -3.853) 4.626 3.421 ( 0.112 0.000 -1.876) 1.879 3.502 ( 1.207 0.000 1.505) 1.929 3.544 ( -1.495 0.000 -1.504) 2.121 3.596 ( -1.921 0.000 3.305) 3.822 3.663 ( 2.501 0.000 -2.653) 3.646 3.742 ( 8.988 0.000 -5.657) 10.620 3.804 ( -0.731 0.000 0.941) 1.191 4.060 ( -4.937 0.000 -0.726) 4.991 4.177 ( -1.294 0.000 -1.328) 1.854 4.222 ( 2.928 0.000 -3.855) 4.840 4.350 ( -1.142 0.000 -13.594) 13.642 4.489 ( -5.460 0.000 5.734) 7.918 4.517 ( 0.789 0.000 -2.456) 2.580 4.646 ( 4.515 0.000 1.991) 4.934 4.646 ( 0.945 0.000 -1.155) 1.492 4.763 ( 3.896 0.000 1.357) 4.126 4.833 ( 9.081 0.000 -0.130) 9.082 4.896 ( -0.641 0.000 -5.792) 5.827 5.080 ( -1.822 0.000 -3.133) 3.624 5.198 ( 1.567 0.000 -6.440) 6.628 5.239 ( 4.928 0.000 5.231) 7.187 5.371 ( -0.998 0.000 0.958) 1.383 5.458 ( -9.894 0.000 3.522) 10.502 5.636 ( -3.721 0.000 -8.326) 9.120 5.637 ( -2.742 0.000 6.795) 7.327 5.808 ( 4.785 0.000 4.171) 6.348 6.020 ( -1.584 0.000 4.050) 4.348 6.042 ( 1.095 0.000 0.212) 1.116 6.062 ( 0.671 0.000 2.566) 2.652 6.165 ( -2.466 0.000 -2.028) 3.193 6.215 ( -0.502 0.000 6.184) 6.204 6.269 ( 5.397 0.000 3.522) 6.444 6.290 ( 1.749 0.000 0.222) 1.763 6.378 ( 1.231 0.000 -0.421) 1.301 6.421 ( 0.751 0.000 1.928) 2.069 6.561 ( 4.200 0.000 6.107) 7.412 6.648 ( -1.378 0.000 0.921) 1.657 6.673 ( -0.687 0.000 -0.373) 0.781 6.735 ( 1.093 0.000 -1.379) 1.760 6.861 ( 2.293 0.000 -2.732) 3.567 6.882 ( 5.567 0.000 3.580) 6.618 6.996 ( -0.259 0.000 0.831) 0.871 7.044 ( -3.104 0.000 3.949) 5.022 7.184 ( 1.855 0.000 9.276) 9.459 7.332 ( -3.911 0.000 -3.498) 5.247 7.357 ( -1.469 0.000 -0.809) 1.677 7.400 ( -1.693 0.000 2.932) 3.386 7.451 ( 0.653 0.000 0.695) 0.954 7.496 ( 2.151 0.000 -3.247) 3.895 7.526 ( 1.343 0.000 0.052) 1.344 7.627 ( -4.476 0.000 6.479) 7.875 7.641 ( -3.336 0.000 1.694) 3.741 7.765 ( -0.159 0.000 -7.799) 7.801 7.854 ( 0.280 0.000 -7.957) 7.962 7.919 ( -0.225 0.000 -0.054) 0.232 7.937 ( -0.645 0.000 -4.319) 4.367 8.030 ( 0.128 0.000 5.043) 5.044 8.046 ( -1.678 0.000 -0.694) 1.816 8.144 ( 2.568 0.000 -1.573) 3.011 8.146 ( -14.366 0.000 -3.752) 14.848 8.216 ( 7.188 0.000 4.346) 8.400 8.308 ( -4.044 0.000 -1.229) 4.226 8.378 ( -0.900 0.000 1.630) 1.862 8.465 ( -1.602 0.000 8.081) 8.238 8.508 ( -0.264 0.000 -2.234) 2.250 8.549 ( 3.331 0.000 8.823) 9.431 8.576 ( 4.671 0.000 -0.577) 4.706 8.598 ( -2.993 0.000 1.039) 3.168 8.618 ( -2.679 0.000 3.743) 4.603 8.679 ( -1.356 0.000 0.527) 1.455 8.733 ( 8.539 0.000 3.169) 9.108 8.796 ( -0.141 0.000 4.628) 4.630 8.811 ( -4.752 0.000 1.725) 5.055 8.881 ( 0.633 0.000 -3.908) 3.959 8.897 ( 0.930 0.000 -1.647) 1.891 8.951 ( -0.653 0.000 4.754) 4.799 8.989 ( 0.861 0.000 2.737) 2.869 9.103 ( 2.741 0.000 -0.951) 2.901 9.210 ( -1.697 0.000 7.026) 7.228 9.331 ( 4.647 0.000 2.022) 5.067 9.404 ( -1.623 0.000 -5.436) 5.673 9.457 ( -14.850 0.000 8.727) 17.225 9.491 ( -6.582 0.000 -5.240) 8.413 9.627 ( 4.553 0.000 -8.060) 9.257 9.684 ( 8.104 0.000 0.025) 8.104 9.699 ( 3.682 0.000 -3.057) 4.785 9.765 ( 7.407 0.000 4.043) 8.439 9.868 ( -9.948 0.000 2.051) 10.157 9.949 ( -4.087 0.000 3.804) 5.583 9.955 ( -3.131 0.000 -7.428) 8.061 10.044 ( 10.518 0.000 -2.791) 10.882 10.077 ( 5.732 0.000 2.705) 6.338 10.178 ( -5.010 0.000 -1.889) 5.354 10.228 ( 2.902 0.000 -2.187) 3.634 10.280 ( -3.650 0.000 -1.388) 3.905 10.292 ( -4.392 0.000 8.512) 9.579 10.319 ( 4.793 0.000 -6.659) 8.205 10.400 ( -14.987 0.000 -5.643) 16.014 10.566 ( -2.949 0.000 1.111) 3.152 10.803 ( 5.946 0.000 10.998) 12.502 10.820 ( 1.017 0.000 10.122) 10.173 10.950 ( 0.314 0.000 4.932) 4.942 11.066 ( -1.532 0.000 3.344) 3.679 11.170 ( 1.556 0.000 -1.024) 1.863 11.347 ( 3.794 0.000 -4.243) 5.692 11.409 ( 0.915 0.000 -0.246) 0.948 11.479 ( -4.390 0.000 1.029) 4.509 11.490 ( -5.861 0.000 2.243) 6.276 11.559 ( 2.726 0.000 -2.226) 3.519 11.589 ( 3.069 0.000 1.477) 3.406 11.682 ( 4.685 0.000 -1.443) 4.902 11.794 ( 1.610 0.000 -0.456) 1.673 11.807 ( 0.156 0.000 -0.193) 0.248 12.140 ( 4.697 0.000 2.354) 5.254 12.148 ( -5.063 0.000 -4.184) 6.568 12.255 ( -0.200 0.000 0.499) 0.538 12.284 ( -4.263 0.000 0.047) 4.263 12.356 ( 0.670 0.000 -0.979) 1.187 12.379 ( 1.138 0.000 -0.121) 1.145 12.689 ( 2.564 0.000 10.428) 10.739 12.854 ( 1.482 0.000 -3.045) 3.386 12.858 ( 0.667 0.000 -1.456) 1.602 13.096 ( 5.105 0.000 -0.013) 5.105 13.134 ( 3.383 0.000 -1.329) 3.635 13.180 ( -4.890 0.000 0.120) 4.892 13.264 ( -2.388 0.000 -3.296) 4.070 13.441 ( -2.667 0.000 0.600) 2.733 13.498 ( -0.568 0.000 -0.356) 0.670 13.558 ( 0.490 0.000 -3.302) 3.338 13.581 ( -0.416 0.000 1.277) 1.343 13.666 ( 0.795 0.000 2.832) 2.941 13.683 ( 0.347 0.000 1.317) 1.362 13.769 ( -1.397 0.000 -2.511) 2.873 13.777 ( -1.139 0.000 6.948) 7.041 14.099 ( 0.232 0.000 -1.269) 1.290 14.277 ( 0.437 0.000 0.856) 0.961 14.475 ( -8.436 0.000 -4.569) 9.594 14.561 ( 7.472 0.000 0.481) 7.487 14.609 ( -3.451 0.000 -2.643) 4.347 14.789 ( 1.297 0.000 0.265) 1.324 14.825 ( 1.043 0.000 -0.951) 1.411 14.999 ( -4.162 0.000 3.740) 5.595 15.140 ( 2.449 0.000 -0.915) 2.615 15.792 ( -4.691 0.000 4.000) 6.165 15.883 ( 1.535 0.000 2.024) 2.540 16.267 ( 3.883 0.000 -9.262) 10.043 16.302 ( 2.341 0.000 -10.090) 10.358 ======================= Grid point 48 (19/55) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( -19.837 0.000 7.313) 21.142 0.496 ( -11.043 0.000 17.993) 21.112 0.889 ( 1.358 0.000 9.406) 9.503 1.125 ( -32.080 0.000 27.044) 41.958 1.425 ( 11.527 0.000 1.886) 11.680 1.480 ( 3.115 0.000 -10.982) 11.415 1.590 ( 2.872 0.000 -13.600) 13.900 1.654 ( 11.420 0.000 -8.226) 14.075 1.770 ( -0.448 0.000 -13.221) 13.229 1.863 ( -1.321 0.000 7.133) 7.254 1.965 ( 0.787 0.000 6.705) 6.751 2.006 ( -1.246 0.000 7.206) 7.312 2.102 ( 1.010 0.000 -1.638) 1.924 2.102 ( 1.699 0.000 -1.301) 2.140 2.122 ( 1.257 0.000 -2.924) 3.183 2.175 ( -0.073 0.000 -3.170) 3.171 2.178 ( -0.146 0.000 -0.949) 0.960 2.191 ( 1.847 0.000 -1.824) 2.596 2.214 ( -0.371 0.000 -1.375) 1.424 2.252 ( 0.234 0.000 -2.356) 2.368 2.258 ( -0.160 0.000 0.046) 0.166 2.299 ( 0.332 0.000 -1.418) 1.456 2.400 ( 1.391 0.000 -1.225) 1.853 2.441 ( 5.601 0.000 -9.716) 11.215 2.499 ( 4.720 0.000 -4.547) 6.554 2.653 ( -1.460 0.000 5.234) 5.434 2.692 ( 1.682 0.000 0.569) 1.775 2.740 ( 0.684 0.000 1.864) 1.985 2.758 ( 0.613 0.000 -1.686) 1.794 2.793 ( 2.723 0.000 -3.734) 4.622 2.826 ( 2.564 0.000 -1.235) 2.846 2.892 ( 3.441 0.000 6.179) 7.072 2.968 ( -3.940 0.000 4.973) 6.344 3.000 ( -2.086 0.000 0.178) 2.093 3.019 ( 5.739 0.000 -1.132) 5.850 3.072 ( -2.459 0.000 -1.923) 3.122 3.105 ( 0.094 0.000 0.488) 0.497 3.167 ( 0.057 0.000 1.090) 1.091 3.168 ( -2.273 0.000 -2.570) 3.431 3.205 ( 1.581 0.000 0.152) 1.588 3.260 ( -0.051 0.000 -0.132) 0.141 3.287 ( -0.057 0.000 2.585) 2.586 3.297 ( -1.346 0.000 0.508) 1.439 3.305 ( -1.816 0.000 -2.913) 3.433 3.377 ( -2.201 0.000 6.659) 7.014 3.408 ( -0.382 0.000 -0.700) 0.797 3.500 ( -2.484 0.000 1.664) 2.990 3.513 ( 0.176 0.000 -1.721) 1.730 3.616 ( -0.322 0.000 4.744) 4.755 3.728 ( 3.664 0.000 0.064) 3.664 3.802 ( 0.974 0.000 -4.658) 4.759 3.827 ( 0.179 0.000 0.412) 0.449 3.962 ( -1.148 0.000 1.195) 1.657 4.175 ( 0.432 0.000 -2.611) 2.646 4.195 ( -7.849 0.000 -14.424) 16.422 4.283 ( 2.952 0.000 -0.874) 3.078 4.412 ( -3.504 0.000 2.043) 4.056 4.542 ( 2.611 0.000 -1.130) 2.845 4.576 ( -6.392 0.000 -2.332) 6.804 4.728 ( -0.309 0.000 1.873) 1.898 4.819 ( 1.166 0.000 -5.267) 5.394 4.941 ( 1.915 0.000 -0.582) 2.002 4.956 ( 6.234 0.000 -0.273) 6.240 5.017 ( -0.982 0.000 -4.836) 4.935 5.168 ( 0.478 0.000 -4.336) 4.362 5.266 ( -5.772 0.000 2.232) 6.189 5.314 ( -1.661 0.000 -6.380) 6.592 5.415 ( 6.181 0.000 5.084) 8.004 5.506 ( -4.344 0.000 0.631) 4.390 5.587 ( -3.765 0.000 6.512) 7.522 5.767 ( -8.509 0.000 4.630) 9.688 5.975 ( -5.594 0.000 1.483) 5.788 6.089 ( -0.842 0.000 -2.332) 2.479 6.098 ( 3.758 0.000 1.418) 4.017 6.116 ( -1.839 0.000 -0.444) 1.892 6.240 ( 2.382 0.000 1.481) 2.805 6.284 ( -3.889 0.000 1.591) 4.202 6.298 ( -2.287 0.000 -1.713) 2.858 6.456 ( 2.868 0.000 -0.547) 2.919 6.479 ( 3.738 0.000 1.879) 4.184 6.605 ( -0.413 0.000 5.218) 5.234 6.609 ( -4.553 0.000 -1.763) 4.883 6.686 ( 2.331 0.000 5.660) 6.121 6.764 ( 1.876 0.000 0.229) 1.890 6.898 ( 2.197 0.000 -4.333) 4.859 7.001 ( -1.559 0.000 -9.813) 9.936 7.026 ( 0.439 0.000 3.941) 3.966 7.069 ( 5.368 0.000 5.651) 7.794 7.171 ( -8.473 0.000 -6.297) 10.557 7.183 ( -3.317 0.000 4.120) 5.290 7.366 ( -0.704 0.000 -0.737) 1.019 7.441 ( -1.997 0.000 3.134) 3.717 7.489 ( -0.002 0.000 -1.455) 1.455 7.499 ( 3.577 0.000 5.647) 6.684 7.525 ( -1.376 0.000 -2.019) 2.443 7.533 ( 5.881 0.000 5.923) 8.347 7.596 ( -2.631 0.000 4.620) 5.317 7.740 ( 0.504 0.000 -2.381) 2.434 7.832 ( 0.668 0.000 -7.493) 7.523 7.834 ( -2.722 0.000 -4.455) 5.221 7.906 ( -0.076 0.000 -6.018) 6.018 8.008 ( -1.995 0.000 2.376) 3.103 8.037 ( 1.683 0.000 0.254) 1.702 8.093 ( 3.021 0.000 9.264) 9.744 8.196 ( -1.410 0.000 -4.014) 4.255 8.247 ( -3.636 0.000 2.478) 4.400 8.354 ( 5.134 0.000 1.423) 5.328 8.402 ( 0.113 0.000 0.864) 0.871 8.411 ( 1.485 0.000 5.781) 5.969 8.473 ( -1.130 0.000 -0.322) 1.175 8.560 ( -3.768 0.000 1.642) 4.110 8.586 ( 1.323 0.000 0.462) 1.401 8.600 ( 0.845 0.000 2.913) 3.033 8.670 ( 1.898 0.000 2.444) 3.095 8.680 ( -0.403 0.000 2.265) 2.301 8.734 ( -1.485 0.000 -4.298) 4.547 8.739 ( 1.047 0.000 1.284) 1.657 8.851 ( 1.496 0.000 7.197) 7.351 8.893 ( 0.763 0.000 -2.804) 2.906 8.925 ( -4.148 0.000 2.467) 4.826 8.994 ( -0.909 0.000 0.825) 1.228 9.014 ( -1.823 0.000 -0.892) 2.030 9.166 ( -6.338 0.000 17.645) 18.749 9.184 ( 4.592 0.000 -1.983) 5.002 9.285 ( -4.668 0.000 9.186) 10.304 9.352 ( -0.178 0.000 -0.848) 0.866 9.364 ( -2.587 0.000 -1.916) 3.220 9.423 ( -0.719 0.000 3.347) 3.423 9.520 ( -5.541 0.000 0.456) 5.559 9.672 ( 0.040 0.000 -5.100) 5.100 9.743 ( 0.584 0.000 -4.299) 4.338 9.806 ( -3.281 0.000 -12.521) 12.944 9.898 ( 0.591 0.000 -5.986) 6.015 9.921 ( 7.851 0.000 -8.510) 11.578 9.980 ( 1.428 0.000 5.418) 5.603 10.038 ( -6.812 0.000 -3.174) 7.515 10.109 ( 4.186 0.000 -2.428) 4.839 10.144 ( -1.597 0.000 3.568) 3.909 10.174 ( 0.497 0.000 -4.193) 4.223 10.213 ( -1.548 0.000 2.846) 3.240 10.236 ( 1.181 0.000 3.903) 4.077 10.375 ( 2.313 0.000 0.510) 2.368 10.561 ( -1.749 0.000 0.018) 1.749 10.676 ( 29.767 0.000 23.411) 37.870 10.892 ( -0.829 0.000 8.728) 8.768 10.984 ( 4.098 0.000 7.422) 8.478 11.143 ( 5.525 0.000 5.608) 7.873 11.158 ( 13.574 0.000 1.561) 13.664 11.258 ( 12.521 0.000 1.310) 12.589 11.295 ( -6.357 0.000 -3.115) 7.079 11.324 ( -1.877 0.000 1.266) 2.264 11.459 ( 2.880 0.000 0.809) 2.992 11.506 ( 3.511 0.000 1.025) 3.658 11.597 ( 2.357 0.000 -1.287) 2.686 11.688 ( 6.033 0.000 2.695) 6.608 11.744 ( 1.266 0.000 1.413) 1.897 11.820 ( -0.048 0.000 -0.304) 0.308 11.840 ( 0.991 0.000 0.169) 1.006 12.022 ( -2.795 0.000 -7.537) 8.038 12.241 ( 2.422 0.000 -0.147) 2.427 12.251 ( 0.018 0.000 0.360) 0.361 12.359 ( 9.900 0.000 5.182) 11.175 12.422 ( 5.502 0.000 1.955) 5.839 12.465 ( 7.380 0.000 0.969) 7.444 12.670 ( -8.985 0.000 -1.061) 9.047 12.770 ( -9.353 0.000 -1.578) 9.485 12.823 ( -3.098 0.000 2.810) 4.183 12.930 ( -7.354 0.000 2.780) 7.862 13.016 ( -8.366 0.000 1.351) 8.474 13.206 ( -0.024 0.000 -5.655) 5.655 13.330 ( 9.545 0.000 4.464) 10.537 13.398 ( -8.935 0.000 -5.152) 10.314 13.473 ( 1.704 0.000 -1.301) 2.144 13.565 ( 2.371 0.000 -1.544) 2.829 13.637 ( 1.621 0.000 2.130) 2.676 13.672 ( -0.882 0.000 0.973) 1.313 13.682 ( -0.837 0.000 1.200) 1.463 13.832 ( 6.719 0.000 -3.123) 7.410 13.872 ( 9.700 0.000 16.248) 18.923 14.126 ( 1.820 0.000 -0.340) 1.852 14.194 ( -6.019 0.000 3.399) 6.912 14.298 ( -5.152 0.000 -4.544) 6.869 14.571 ( -2.110 0.000 -7.070) 7.378 14.682 ( 3.387 0.000 -0.391) 3.409 14.803 ( -2.667 0.000 -2.248) 3.488 14.843 ( 3.630 0.000 0.601) 3.679 14.938 ( -3.071 0.000 2.288) 3.830 15.190 ( 2.836 0.000 1.069) 3.031 15.633 ( -10.551 0.000 1.984) 10.735 15.920 ( 0.395 0.000 2.546) 2.577 16.158 ( -10.755 0.000 -19.171) 21.981 16.323 ( 2.290 0.000 -7.367) 7.715 ======================= Grid point 49 (20/55) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 2.743 8.869 17.416) 19.735 0.745 ( -3.332 18.079 20.367) 27.436 1.121 ( -3.707 26.843 18.139) 32.609 1.179 ( 0.777 25.716 14.589) 29.576 1.538 ( -3.950 0.320 -14.606) 15.134 1.551 ( 1.036 4.088 2.530) 4.918 1.593 ( 1.688 9.747 -9.201) 13.510 1.688 ( 2.424 9.807 -11.512) 15.316 1.916 ( 4.305 2.446 1.269) 5.111 1.982 ( 3.813 4.450 -0.493) 5.881 2.021 ( 0.071 -2.145 1.569) 2.659 2.079 ( -1.592 5.778 5.255) 7.971 2.084 ( 0.304 -1.700 -0.613) 1.833 2.095 ( -3.532 -1.656 -4.682) 6.094 2.139 ( 2.096 0.583 -4.239) 4.765 2.181 ( 0.329 3.013 -1.115) 3.230 2.200 ( -0.598 2.994 -0.141) 3.056 2.242 ( 1.401 4.921 0.389) 5.131 2.253 ( 0.872 2.929 1.535) 3.420 2.280 ( 1.255 4.280 -1.069) 4.587 2.295 ( -0.386 1.784 0.616) 1.926 2.388 ( 1.747 5.985 1.684) 6.458 2.430 ( 0.813 0.100 -0.585) 1.007 2.489 ( -1.526 2.663 -6.208) 6.925 2.520 ( -1.309 0.212 -3.066) 3.340 2.631 ( 0.394 -3.516 1.143) 3.718 2.680 ( -0.472 -3.207 -0.123) 3.244 2.711 ( 0.654 -2.872 0.626) 3.011 2.761 ( -1.713 -0.624 -1.117) 2.138 2.789 ( 0.413 1.976 -0.118) 2.022 2.833 ( -3.388 -1.407 2.403) 4.385 2.875 ( -3.995 -2.606 0.291) 4.779 2.943 ( 0.270 -1.720 -3.899) 4.270 2.965 ( 1.205 -2.533 -0.232) 2.815 3.050 ( 0.881 2.015 -2.504) 3.333 3.098 ( 0.595 0.315 -1.738) 1.864 3.179 ( 0.551 0.424 0.147) 0.710 3.183 ( 0.897 -2.150 -0.517) 2.386 3.238 ( 5.021 -0.109 1.577) 5.264 3.249 ( 3.622 0.360 1.878) 4.096 3.274 ( -0.897 3.600 -0.317) 3.724 3.311 ( -1.659 2.292 4.370) 5.206 3.410 ( -2.745 17.426 -0.233) 17.643 3.432 ( 0.150 8.003 2.246) 8.313 3.507 ( -0.673 4.597 -4.580) 6.524 3.525 ( -1.146 14.217 2.552) 14.489 3.567 ( -1.859 17.534 1.704) 17.714 3.571 ( -3.632 8.480 -1.089) 9.289 3.632 ( -0.456 16.105 1.094) 16.149 3.759 ( 3.769 0.054 -6.771) 7.749 3.779 ( -2.573 -0.099 0.366) 2.601 3.789 ( -0.022 2.478 0.395) 2.509 3.980 ( -1.741 1.164 2.096) 2.963 4.010 ( -0.252 3.899 3.714) 5.391 4.244 ( 3.402 -2.997 1.881) 4.909 4.296 ( 6.723 -0.449 3.294) 7.500 4.370 ( -2.212 -0.137 0.921) 2.400 4.542 ( 2.575 1.589 0.180) 3.031 4.567 ( 0.566 -1.191 0.135) 1.326 4.612 ( -3.707 -3.075 -1.848) 5.158 4.777 ( 0.463 -3.567 -3.120) 4.761 4.878 ( -0.684 -1.255 -1.739) 2.251 4.928 ( -6.810 0.026 -5.491) 8.748 5.049 ( -0.922 -4.648 1.949) 5.124 5.128 ( -3.792 -0.679 -3.872) 5.462 5.201 ( 1.304 -1.371 0.314) 1.918 5.305 ( 3.760 -1.331 -3.099) 5.051 5.368 ( -2.935 2.717 -1.735) 4.360 5.497 ( 0.833 -0.682 3.382) 3.549 5.620 ( 4.455 -0.337 7.551) 8.774 5.670 ( -1.057 -3.155 8.213) 8.862 5.817 ( 0.440 -1.034 -3.850) 4.010 5.897 ( -0.561 -2.234 2.167) 3.162 6.083 ( 0.149 -1.444 2.120) 2.569 6.088 ( 0.045 -3.002 -1.333) 3.285 6.162 ( -0.211 -0.858 0.788) 1.184 6.227 ( 0.402 -0.773 3.584) 3.688 6.257 ( -2.450 -0.596 2.560) 3.593 6.382 ( -3.088 -4.389 -4.049) 6.722 6.543 ( -2.158 3.288 -0.924) 4.040 6.627 ( -3.938 -3.808 4.698) 7.216 6.710 ( -2.164 -4.632 -1.868) 5.443 6.763 ( 1.444 8.792 -0.100) 8.910 6.814 ( -0.834 5.078 0.928) 5.229 6.871 ( 1.915 13.129 -1.523) 13.355 6.956 ( 0.563 -1.345 1.176) 1.873 7.024 ( 0.983 1.635 -3.025) 3.576 7.142 ( -1.869 0.101 0.297) 1.895 7.178 ( 1.574 8.989 -1.418) 9.235 7.268 ( 2.121 2.312 0.093) 3.139 7.339 ( 0.965 -2.349 -2.447) 3.526 7.370 ( 0.166 -3.412 2.447) 4.202 7.455 ( -0.895 1.580 0.207) 1.828 7.492 ( -3.622 0.368 2.790) 4.587 7.501 ( -3.398 1.241 -1.375) 3.870 7.654 ( -3.639 2.653 2.060) 4.953 7.702 ( -0.691 0.824 3.710) 3.862 7.801 ( 2.030 -1.701 -1.426) 3.007 7.853 ( 2.577 -2.829 -1.794) 4.226 7.861 ( 0.727 0.262 -9.993) 10.023 7.900 ( 3.800 -3.509 -0.479) 5.194 7.947 ( 1.479 -2.967 -5.264) 6.221 8.110 ( -2.449 -2.829 2.461) 4.479 8.137 ( -1.762 -1.080 -6.350) 6.678 8.169 ( 2.450 0.002 3.500) 4.272 8.219 ( -1.253 0.677 5.004) 5.203 8.333 ( 0.585 -0.310 -1.380) 1.530 8.428 ( -0.035 -1.532 1.410) 2.083 8.483 ( 1.753 -0.163 -0.392) 1.803 8.501 ( 1.597 -2.767 3.452) 4.704 8.539 ( 1.303 -2.488 3.308) 4.340 8.566 ( 0.646 0.147 1.110) 1.292 8.638 ( -1.419 2.285 2.861) 3.927 8.690 ( -0.722 -3.917 -0.641) 4.035 8.713 ( -1.541 4.778 -1.109) 5.141 8.802 ( -1.497 -3.832 -0.828) 4.196 8.835 ( 1.090 0.137 0.586) 1.245 8.898 ( -0.967 1.744 1.963) 2.798 8.905 ( -1.952 7.005 1.980) 7.537 8.944 ( 0.601 3.360 -0.994) 3.555 8.969 ( 0.538 0.488 0.049) 0.728 9.018 ( 2.573 3.356 -0.108) 4.230 9.138 ( 0.815 -3.033 2.592) 4.072 9.160 ( 2.352 -3.089 -6.642) 7.694 9.303 ( -0.438 0.707 1.200) 1.460 9.359 ( 3.012 3.239 0.526) 4.454 9.373 ( -0.193 5.219 -6.552) 8.379 9.426 ( -1.778 4.116 -0.803) 4.555 9.514 ( -2.826 -3.812 -5.440) 7.219 9.621 ( -4.053 0.718 -2.789) 4.972 9.663 ( 2.315 -1.190 -3.739) 4.556 9.821 ( 4.626 2.933 -3.514) 6.508 9.890 ( -1.821 2.808 -6.387) 7.211 9.962 ( 1.844 -1.499 -0.864) 2.528 10.013 ( 0.927 13.457 -0.729) 13.509 10.056 ( 3.675 1.201 -3.397) 5.147 10.080 ( -2.259 9.112 1.955) 9.589 10.180 ( 2.099 4.414 0.445) 4.908 10.244 ( -0.342 2.170 4.235) 4.771 10.383 ( 3.547 2.387 2.727) 5.071 10.428 ( 5.693 3.687 1.184) 6.885 10.456 ( -7.368 1.490 -1.072) 7.593 10.594 ( 8.332 2.730 9.002) 12.566 10.744 ( -8.561 -5.767 8.728) 13.518 11.001 ( -6.047 -2.507 -4.185) 7.770 11.018 ( -3.038 -4.130 -4.608) 6.894 11.151 ( 1.016 -0.570 1.373) 1.801 11.202 ( 5.287 -3.128 -0.173) 6.145 11.304 ( 1.078 -4.221 3.148) 5.375 11.381 ( 1.340 -4.232 -1.114) 4.577 11.479 ( -2.204 0.045 3.333) 3.996 11.531 ( 2.089 -2.936 2.122) 4.182 11.627 ( -4.441 -2.095 -3.335) 5.936 11.649 ( 1.195 2.022 -1.867) 3.000 11.769 ( -5.109 1.520 -2.596) 5.928 11.823 ( -3.904 2.035 -1.435) 4.630 11.891 ( 1.104 6.858 1.511) 7.109 11.915 ( 2.044 5.989 2.092) 6.665 12.072 ( 10.234 -0.590 -0.711) 10.275 12.218 ( 1.166 0.465 2.089) 2.437 12.361 ( 1.775 5.569 -2.870) 6.511 12.398 ( -6.290 1.509 -2.938) 7.104 12.414 ( -5.839 3.807 -3.724) 7.902 12.600 ( -0.005 5.428 -1.225) 5.564 12.653 ( -31.441 7.904 -9.860) 33.885 12.679 ( -5.989 6.693 -2.600) 9.351 12.744 ( -1.397 2.879 -2.647) 4.153 12.828 ( 1.415 4.555 -3.100) 5.688 12.975 ( 0.220 3.838 -1.656) 4.186 13.043 ( 11.228 1.551 -5.395) 12.553 13.306 ( 2.848 -2.099 3.842) 5.223 13.449 ( 1.166 -4.318 -0.377) 4.489 13.513 ( -3.237 -3.351 7.095) 8.488 13.591 ( -0.321 0.580 -1.096) 1.281 13.627 ( -2.269 0.168 -0.046) 2.276 13.673 ( 1.160 4.727 2.348) 5.404 13.742 ( 0.447 5.842 1.860) 6.147 13.882 ( 3.051 -5.359 -2.135) 6.525 14.069 ( 0.014 -2.698 -0.294) 2.714 14.088 ( -4.450 -4.578 1.432) 6.543 14.108 ( -14.586 -6.752 3.768) 16.509 14.228 ( 4.037 -6.426 -1.013) 7.656 14.672 ( 19.679 -10.687 8.065) 23.802 14.710 ( 0.820 -0.615 -0.195) 1.043 14.827 ( 15.379 -3.045 5.965) 16.774 14.885 ( -0.433 -0.505 0.404) 0.779 14.898 ( -1.239 0.813 0.813) 1.690 15.126 ( -5.233 -4.528 -3.279) 7.657 15.522 ( 3.480 -1.582 3.755) 5.358 15.596 ( -2.703 -1.717 0.576) 3.253 15.896 ( -0.905 -2.911 2.046) 3.672 16.262 ( 1.315 -6.627 -6.256) 9.208 ======================= Grid point 50 (21/55) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 14.065 9.473 12.562) 21.104 0.875 ( 5.154 20.515 13.804) 25.259 1.082 ( -5.581 22.722 5.496) 24.034 1.414 ( -6.389 10.412 6.657) 13.912 1.416 ( 0.185 1.256 -14.046) 14.103 1.540 ( 9.428 8.570 15.532) 20.089 1.594 ( 2.420 10.623 -9.673) 14.569 1.685 ( 2.473 9.532 -11.028) 14.785 1.931 ( -2.634 3.806 2.325) 5.180 1.955 ( -2.989 0.112 -1.031) 3.164 1.986 ( -3.045 0.515 0.548) 3.137 2.043 ( -0.561 1.088 1.022) 1.595 2.064 ( -0.942 -1.461 -1.224) 2.126 2.092 ( 0.358 1.583 2.971) 3.385 2.147 ( -1.563 1.461 -1.273) 2.489 2.188 ( -0.716 1.967 -0.415) 2.134 2.208 ( 2.499 3.942 -6.007) 7.607 2.238 ( -2.505 1.995 0.038) 3.203 2.264 ( -0.105 3.948 -2.369) 4.605 2.278 ( -3.010 4.093 1.055) 5.189 2.302 ( 0.865 5.281 -0.743) 5.403 2.352 ( -0.498 3.837 -0.536) 3.906 2.398 ( -5.001 4.040 -2.598) 6.934 2.447 ( 1.987 4.520 -1.661) 5.209 2.509 ( -3.474 -0.066 3.848) 5.184 2.600 ( -0.466 -3.767 0.390) 3.816 2.644 ( -0.502 -0.785 -0.566) 1.090 2.686 ( -0.799 -4.790 0.420) 4.875 2.738 ( -0.934 -0.263 -0.766) 1.236 2.748 ( -1.568 0.053 -1.373) 2.085 2.806 ( -2.151 -1.412 -0.037) 2.573 2.885 ( 2.537 -0.046 3.772) 4.546 2.931 ( 2.414 0.447 -6.122) 6.596 2.974 ( -0.842 0.934 0.601) 1.394 3.017 ( 0.242 -4.124 -1.659) 4.452 3.139 ( 2.360 -1.817 -1.715) 3.437 3.165 ( -3.562 0.871 -0.460) 3.695 3.188 ( -1.910 -0.015 -0.002) 1.910 3.216 ( 1.406 -0.772 1.287) 2.056 3.295 ( -3.340 4.010 2.150) 5.644 3.313 ( 0.192 3.482 4.564) 5.744 3.353 ( 1.525 5.985 2.861) 6.806 3.401 ( 2.391 7.375 -2.697) 8.208 3.419 ( -0.820 14.603 1.885) 14.747 3.501 ( -1.973 9.833 2.932) 10.449 3.518 ( 0.863 9.850 1.610) 10.018 3.559 ( 0.866 10.376 -0.824) 10.444 3.574 ( 7.135 4.645 -6.401) 10.651 3.629 ( 0.183 15.167 0.114) 15.169 3.694 ( -3.974 3.868 0.350) 5.556 3.745 ( -3.061 5.082 -4.136) 7.233 3.818 ( -0.816 0.222 -1.203) 1.470 4.037 ( 1.631 -1.043 2.841) 3.438 4.084 ( 9.468 -1.379 -2.948) 10.012 4.244 ( -2.568 -3.402 -0.333) 4.275 4.329 ( -1.371 -1.872 -0.592) 2.395 4.418 ( -1.033 -3.737 4.289) 5.782 4.574 ( 2.009 1.287 -0.779) 2.509 4.594 ( 0.415 0.096 -1.189) 1.263 4.631 ( 2.805 -2.988 -2.514) 4.808 4.718 ( 1.698 2.279 -1.792) 3.360 4.765 ( -5.262 2.358 -4.110) 7.081 4.900 ( 3.557 -0.246 -3.184) 4.780 5.029 ( -0.261 -7.115 -1.593) 7.296 5.112 ( -0.313 -2.491 5.797) 6.317 5.250 ( 1.311 0.747 0.152) 1.517 5.307 ( 2.398 0.758 -1.887) 3.144 5.426 ( 9.427 0.495 2.636) 9.801 5.532 ( -1.817 -0.245 4.874) 5.207 5.675 ( 0.078 -1.994 -2.265) 3.019 5.770 ( 4.016 -2.040 3.170) 5.508 5.943 ( 7.860 -2.196 3.256) 8.787 5.952 ( 4.237 -0.642 0.400) 4.303 6.109 ( -3.097 -3.801 2.387) 5.453 6.114 ( -1.169 -0.779 3.966) 4.208 6.117 ( 3.810 -1.637 -4.024) 5.779 6.203 ( -3.207 -3.506 1.864) 5.104 6.260 ( -3.406 -3.400 -1.824) 5.147 6.324 ( 4.641 0.597 2.973) 5.544 6.504 ( -0.855 4.057 0.030) 4.147 6.552 ( -3.975 -1.425 3.162) 5.275 6.691 ( 1.320 -1.844 -1.618) 2.786 6.791 ( 0.290 0.997 1.435) 1.771 6.820 ( 1.156 9.712 1.116) 9.844 6.897 ( 0.260 7.288 1.501) 7.446 6.936 ( -1.693 4.681 -1.780) 5.286 6.972 ( -4.344 12.031 -1.994) 12.945 7.092 ( -0.941 0.287 -0.761) 1.244 7.237 ( -0.988 2.397 0.200) 2.601 7.319 ( 1.042 -1.086 -0.375) 1.551 7.344 ( -0.303 -3.230 -1.814) 3.716 7.381 ( 4.524 -2.135 1.464) 5.213 7.445 ( -0.573 1.760 0.714) 1.984 7.463 ( 1.220 4.039 0.436) 4.242 7.499 ( 3.510 -0.546 1.026) 3.698 7.608 ( -2.659 -2.077 4.849) 5.907 7.677 ( -3.024 0.170 4.397) 5.339 7.832 ( 1.068 0.139 -8.512) 8.580 7.885 ( 6.042 -4.751 -3.615) 8.493 7.898 ( 1.223 -5.731 -1.232) 5.988 7.946 ( 2.743 2.955 -4.819) 6.284 7.957 ( 0.051 -3.611 0.040) 3.611 8.080 ( -0.658 -2.932 -2.996) 4.244 8.100 ( 1.110 -5.177 0.840) 5.361 8.178 ( -1.977 4.558 2.981) 5.794 8.226 ( -0.319 0.395 6.133) 6.154 8.352 ( -3.516 2.309 1.785) 4.569 8.417 ( -1.236 -2.762 1.048) 3.203 8.455 ( -5.846 -1.975 1.528) 6.357 8.508 ( 2.576 0.163 0.312) 2.600 8.565 ( -1.074 -0.067 0.619) 1.242 8.584 ( -0.646 -1.278 3.799) 4.060 8.624 ( -2.630 -0.905 -0.149) 2.785 8.638 ( -0.834 -0.306 1.082) 1.400 8.692 ( -0.660 6.857 3.718) 7.828 8.740 ( -0.829 -2.795 -2.774) 4.024 8.828 ( -3.001 4.252 -0.465) 5.225 8.893 ( -1.825 0.342 0.146) 1.863 8.916 ( 0.137 0.715 6.035) 6.079 8.955 ( -0.100 3.112 -0.619) 3.175 8.985 ( 1.873 8.521 -4.815) 9.965 9.021 ( -1.449 4.941 1.083) 5.262 9.144 ( -2.158 8.304 -2.129) 8.840 9.181 ( 1.485 -2.147 -0.081) 2.612 9.280 ( 3.446 -4.135 -4.969) 7.326 9.351 ( 2.066 -3.098 -4.655) 5.961 9.383 ( 2.612 -3.243 -0.015) 4.164 9.472 ( 5.804 0.566 -2.644) 6.403 9.561 ( 4.114 -1.585 0.916) 4.503 9.631 ( 4.651 0.246 0.447) 4.679 9.643 ( -1.770 2.312 -7.852) 8.375 9.802 ( -6.147 2.131 -1.188) 6.614 9.877 ( -0.880 0.538 0.948) 1.401 9.992 ( -0.287 -1.647 -2.699) 3.175 10.006 ( -2.573 10.183 4.255) 11.332 10.062 ( 4.403 10.364 -0.468) 11.270 10.138 ( 0.617 1.469 5.703) 5.921 10.197 ( -4.794 4.207 0.066) 6.379 10.243 ( 0.415 0.578 1.115) 1.323 10.296 ( 3.845 9.571 1.952) 10.498 10.452 ( -6.259 -5.346 -4.188) 9.235 10.509 ( -1.104 3.266 0.485) 3.482 10.644 ( -2.086 -4.239 15.109) 15.831 10.694 ( -1.120 2.448 1.282) 2.982 10.809 ( -17.779 3.919 1.970) 18.312 10.914 ( -7.761 4.654 0.851) 9.090 10.997 ( -10.529 -6.537 1.993) 12.553 11.158 ( -12.694 5.625 3.519) 14.323 11.233 ( -6.271 3.003 1.179) 7.052 11.354 ( 0.618 -1.023 0.907) 1.501 11.369 ( -1.718 0.634 -2.439) 3.050 11.451 ( 3.079 -0.580 0.461) 3.166 11.493 ( -2.958 -3.707 -2.846) 5.531 11.538 ( -4.199 2.431 -1.078) 4.970 11.583 ( -2.675 0.259 -0.326) 2.708 11.669 ( -2.798 -0.601 0.290) 2.876 11.870 ( -4.458 4.734 -0.984) 6.577 11.910 ( -3.103 5.032 1.468) 6.092 12.120 ( -1.270 4.272 -2.686) 5.204 12.196 ( -1.722 -0.819 0.237) 1.921 12.326 ( -1.337 -0.503 4.469) 4.692 12.329 ( 2.023 0.265 0.698) 2.157 12.424 ( 1.722 6.991 -1.800) 7.422 12.540 ( -6.187 8.599 0.278) 10.597 12.578 ( -0.901 0.706 0.935) 1.478 12.675 ( 15.072 0.486 -0.043) 15.080 12.861 ( 13.345 7.579 -3.229) 15.682 12.945 ( 4.480 3.472 -2.372) 6.145 12.994 ( 4.009 1.593 -0.214) 4.319 13.205 ( 6.347 -0.610 -5.809) 8.626 13.361 ( -3.963 -0.918 2.546) 4.799 13.442 ( 0.737 -4.146 3.928) 5.759 13.487 ( 2.252 -3.337 -1.250) 4.215 13.555 ( -4.089 -1.039 -1.185) 4.382 13.623 ( 0.222 -0.229 1.832) 1.860 13.684 ( -0.901 3.737 2.420) 4.542 13.715 ( -3.057 6.263 0.116) 6.970 13.826 ( -8.839 -1.713 5.860) 10.743 13.841 ( -6.257 -4.972 -1.060) 8.061 14.085 ( 0.279 -2.437 -0.578) 2.520 14.150 ( 5.640 -3.710 0.890) 6.809 14.349 ( 7.411 -6.162 0.833) 9.674 14.635 ( -7.887 -3.350 -2.366) 8.890 14.704 ( -5.453 -2.990 -1.558) 6.411 14.798 ( -1.071 0.600 -0.997) 1.582 14.833 ( -1.179 2.430 1.193) 2.953 15.046 ( -1.643 -2.520 4.193) 5.161 15.084 ( 1.975 -0.750 -2.167) 3.027 15.682 ( 7.089 -3.425 4.656) 9.147 15.872 ( -2.267 -3.043 1.621) 4.126 15.966 ( 20.695 -11.965 -9.884) 25.867 16.249 ( 0.196 -6.896 -6.682) 9.605 ======================= Grid point 51 (22/55) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -13.250 17.281 5.649) 22.496 1.013 ( -3.131 18.181 8.465) 20.298 1.070 ( -7.500 17.577 -1.388) 19.161 1.143 ( 15.727 8.960 7.465) 19.579 1.442 ( 9.269 1.321 -12.444) 15.572 1.592 ( 2.000 10.675 -9.789) 14.621 1.676 ( -9.563 5.641 -0.366) 11.109 1.694 ( -4.938 7.379 -4.854) 10.119 1.885 ( -6.212 1.130 1.895) 6.592 1.935 ( -1.976 5.198 5.591) 7.886 1.985 ( 8.081 0.090 7.273) 10.873 2.011 ( -1.844 2.162 -2.489) 3.778 2.040 ( -0.090 1.977 3.314) 3.860 2.116 ( 1.931 1.097 1.008) 2.439 2.148 ( -0.441 2.047 -0.517) 2.157 2.161 ( 0.675 -0.395 0.149) 0.796 2.178 ( 0.152 0.557 0.729) 0.930 2.236 ( 3.129 5.561 1.482) 6.551 2.246 ( 0.014 5.058 -0.092) 5.059 2.260 ( 0.723 3.439 -5.678) 6.677 2.298 ( -0.788 4.011 -2.675) 4.885 2.323 ( -1.188 2.421 -2.443) 3.639 2.383 ( 3.051 6.404 0.262) 7.099 2.428 ( -2.329 1.786 -1.644) 3.364 2.476 ( 2.005 3.492 -4.114) 5.757 2.593 ( -1.100 -4.638 2.178) 5.241 2.667 ( -0.218 -0.993 2.547) 2.743 2.679 ( 0.193 -4.172 1.947) 4.608 2.724 ( 1.384 -0.068 -2.467) 2.830 2.758 ( 1.385 -0.986 -0.314) 1.729 2.797 ( 1.065 0.018 -0.021) 1.066 2.900 ( -0.051 3.230 -5.011) 5.963 2.956 ( 0.018 -3.147 4.174) 5.227 2.989 ( 1.298 -0.835 -0.835) 1.755 3.005 ( -1.369 -1.501 -0.154) 2.037 3.109 ( -0.304 -1.412 0.495) 1.527 3.143 ( -0.824 -1.057 -1.384) 1.927 3.164 ( -0.597 -1.587 -1.175) 2.063 3.231 ( -1.736 2.275 -0.255) 2.873 3.264 ( 1.012 -1.341 2.265) 2.820 3.315 ( -1.102 2.604 -0.178) 2.833 3.377 ( -2.164 8.023 0.861) 8.354 3.391 ( -0.284 10.557 2.673) 10.894 3.436 ( 0.478 15.135 1.134) 15.185 3.499 ( 1.339 19.921 2.788) 20.159 3.529 ( -1.419 0.990 1.881) 2.555 3.579 ( 2.353 5.896 1.133) 6.449 3.607 ( -2.468 6.002 -0.775) 6.536 3.642 ( 0.808 12.895 -2.698) 13.199 3.685 ( 2.610 7.358 -2.253) 8.126 3.762 ( 6.193 2.914 -2.271) 7.212 3.784 ( -0.952 -0.619 -0.803) 1.391 4.052 ( -2.976 0.558 0.251) 3.038 4.166 ( -0.340 -0.682 -2.218) 2.345 4.193 ( 2.688 -2.586 -3.032) 4.807 4.266 ( -3.692 -5.541 -7.705) 10.184 4.433 ( 0.769 -4.296 5.758) 7.225 4.512 ( -4.527 -0.557 -2.754) 5.328 4.637 ( 3.672 -0.096 0.223) 3.680 4.691 ( 0.790 3.420 -2.221) 4.154 4.769 ( 3.211 0.220 0.169) 3.223 4.794 ( 5.759 -2.279 3.566) 7.147 4.885 ( 0.012 -1.096 -5.405) 5.515 5.008 ( -1.233 -5.596 -5.238) 7.763 5.189 ( 4.587 -1.881 5.326) 7.276 5.236 ( -0.640 -0.057 -2.106) 2.202 5.344 ( -1.054 -1.917 -0.132) 2.191 5.451 ( -8.080 -0.821 2.442) 8.480 5.591 ( -3.760 -3.831 2.224) 5.810 5.621 ( -1.665 -2.008 -1.981) 3.275 5.823 ( 3.454 1.656 2.853) 4.776 6.004 ( -0.540 -4.191 5.468) 6.910 6.028 ( -0.844 -1.318 1.578) 2.222 6.056 ( -1.989 1.045 3.485) 4.147 6.105 ( -1.746 -3.426 0.467) 3.874 6.146 ( 0.178 -2.919 0.183) 2.931 6.226 ( 2.411 -3.112 0.389) 3.956 6.274 ( 4.690 -0.916 0.138) 4.781 6.404 ( 1.261 1.760 2.102) 3.017 6.488 ( -1.836 0.001 3.971) 4.375 6.549 ( 2.421 -1.550 2.722) 3.959 6.735 ( 1.311 5.132 1.395) 5.477 6.789 ( -1.283 -0.906 2.108) 2.629 6.847 ( 1.398 1.319 3.047) 3.603 6.897 ( -0.240 4.606 -0.629) 4.655 6.914 ( 1.485 5.687 0.619) 5.910 6.967 ( 3.988 11.222 -0.155) 11.911 7.103 ( 3.674 6.838 -5.410) 9.462 7.232 ( 1.727 -2.032 1.129) 2.896 7.265 ( -4.827 -0.336 -2.122) 5.284 7.321 ( -3.520 1.749 3.877) 5.521 7.437 ( 0.309 1.451 2.715) 3.094 7.447 ( -0.367 -0.411 -2.477) 2.537 7.489 ( 0.521 2.198 -0.753) 2.381 7.554 ( -0.907 -4.590 2.401) 5.259 7.606 ( 0.668 0.582 4.295) 4.385 7.627 ( -2.612 -0.675 3.204) 4.189 7.811 ( 0.634 -0.529 -5.498) 5.560 7.883 ( 0.134 -1.371 -4.239) 4.457 7.908 ( 0.318 -0.018 -9.108) 9.113 7.968 ( 0.639 -3.786 2.315) 4.484 8.002 ( -0.925 1.733 -6.665) 6.949 8.073 ( -6.038 -2.315 -1.241) 6.585 8.123 ( 2.721 -0.076 0.956) 2.885 8.138 ( -2.711 2.042 3.054) 4.566 8.223 ( 2.110 2.114 5.164) 5.965 8.263 ( -2.297 -1.578 0.278) 2.801 8.383 ( -0.159 -2.892 4.039) 4.970 8.467 ( 5.426 -2.219 3.407) 6.780 8.526 ( -1.550 1.801 -2.331) 3.329 8.533 ( -3.098 -2.445 0.700) 4.008 8.575 ( 2.037 -4.098 3.262) 5.620 8.604 ( -1.179 4.630 0.834) 4.850 8.678 ( 3.117 0.994 1.531) 3.612 8.698 ( -2.757 2.104 2.367) 4.199 8.723 ( 0.576 6.421 3.637) 7.402 8.792 ( 0.410 0.604 -0.181) 0.752 8.852 ( -2.452 3.846 3.160) 5.549 8.907 ( -0.245 1.626 -0.143) 1.650 8.969 ( 3.023 4.725 4.254) 7.040 8.978 ( 0.636 1.500 0.659) 1.757 9.000 ( -1.368 6.553 -2.592) 7.178 9.140 ( 0.359 0.710 -1.510) 1.707 9.208 ( 1.001 2.014 0.970) 2.449 9.324 ( 1.715 -4.956 -2.845) 5.966 9.396 ( -1.198 2.294 -1.159) 2.836 9.441 ( -5.239 -0.668 -7.366) 9.064 9.535 ( -0.074 3.586 5.935) 6.934 9.606 ( 6.901 -1.151 -1.755) 7.214 9.656 ( -0.005 -1.514 -1.483) 2.119 9.682 ( 3.885 1.199 1.132) 4.221 9.756 ( 6.630 -2.296 4.126) 8.139 9.836 ( -4.418 -0.219 -0.304) 4.433 9.899 ( -7.482 1.237 1.966) 7.834 9.951 ( -3.687 -1.032 -6.356) 7.420 10.001 ( -2.257 -1.451 4.308) 5.076 10.119 ( -0.064 1.767 -2.138) 2.774 10.257 ( -4.708 0.966 -4.743) 6.752 10.278 ( -0.772 1.522 0.629) 1.819 10.337 ( 7.665 13.166 2.361) 15.417 10.390 ( -1.935 8.902 2.839) 9.542 10.419 ( -13.993 3.477 -2.508) 14.635 10.552 ( 14.100 12.613 -4.480) 19.442 10.605 ( -5.233 6.108 -1.337) 8.153 10.755 ( 6.539 -4.533 10.034) 12.805 10.808 ( -2.691 -0.876 6.713) 7.285 10.923 ( -0.987 -2.906 3.711) 4.816 11.068 ( 0.310 1.555 3.689) 4.015 11.190 ( 0.612 2.298 -0.154) 2.383 11.353 ( 0.739 -0.023 -5.123) 5.176 11.385 ( -2.536 -5.977 0.570) 6.518 11.442 ( -1.823 -0.836 -1.177) 2.325 11.466 ( 0.545 -2.243 1.747) 2.895 11.531 ( 1.322 -4.114 -1.064) 4.450 11.589 ( 2.493 2.973 3.967) 5.549 11.706 ( 4.720 0.980 -4.071) 6.310 11.812 ( 1.219 2.780 1.213) 3.269 11.847 ( -1.521 3.028 -0.720) 3.464 12.119 ( -1.927 2.088 0.389) 2.868 12.185 ( 3.119 1.571 0.532) 3.532 12.236 ( -3.570 0.021 0.215) 3.577 12.342 ( 0.197 0.332 0.676) 0.778 12.421 ( 0.387 8.368 -3.771) 9.187 12.456 ( -1.467 7.947 -0.574) 8.102 12.684 ( 3.017 -0.603 10.287) 10.738 12.876 ( 3.310 3.605 -1.831) 5.225 12.933 ( 0.337 6.016 -2.043) 6.362 13.033 ( -3.557 -2.504 3.937) 5.867 13.131 ( 7.313 -1.710 -2.435) 7.895 13.260 ( -3.218 5.033 0.644) 6.009 13.284 ( 0.465 2.374 -4.701) 5.287 13.442 ( -2.461 -1.405 0.308) 2.850 13.485 ( -1.435 -0.333 0.443) 1.539 13.527 ( 1.668 -2.241 -2.582) 3.804 13.574 ( -0.222 -0.504 0.062) 0.554 13.678 ( -0.196 0.611 3.738) 3.793 13.704 ( -0.162 1.588 0.580) 1.699 13.725 ( -0.910 -4.073 -1.580) 4.463 13.766 ( -1.022 -0.404 4.970) 5.090 14.072 ( -0.053 -2.747 -1.404) 3.086 14.243 ( 0.345 -3.691 1.112) 3.871 14.428 ( -7.129 -5.195 -4.308) 9.817 14.533 ( 6.549 -2.803 0.538) 7.143 14.577 ( -3.228 -3.502 -2.348) 5.311 14.801 ( 0.887 1.345 0.401) 1.660 14.847 ( 0.763 2.393 -0.996) 2.702 15.005 ( -3.528 0.828 2.983) 4.694 15.127 ( 2.105 -1.138 -0.905) 2.558 15.756 ( -4.271 -3.577 3.701) 6.688 15.850 ( 1.441 -3.281 1.724) 3.977 16.182 ( 3.201 -8.300 -7.771) 11.812 16.201 ( 1.153 -9.627 -8.370) 12.808 ======================= Grid point 52 (23/55) ======================= q-point: (-0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -16.162 10.373 4.300) 19.680 0.844 ( -10.277 22.304 11.708) 27.206 1.134 ( 1.375 22.553 7.441) 23.789 1.288 ( -22.078 19.109 21.084) 36.015 1.461 ( 9.062 4.461 3.646) 10.738 1.587 ( 2.185 10.398 -9.980) 14.577 1.648 ( 10.265 0.439 -8.614) 13.408 1.687 ( 2.102 7.952 -11.033) 13.762 1.768 ( 0.205 1.523 -11.817) 11.916 1.939 ( 0.135 4.817 6.114) 7.785 1.979 ( -0.175 3.285 3.929) 5.125 2.063 ( 0.235 3.366 4.661) 5.754 2.072 ( 1.610 -1.235 -1.547) 2.552 2.138 ( 0.061 1.463 -2.649) 3.027 2.147 ( 1.139 3.664 -0.121) 3.839 2.192 ( -0.177 -0.875 -0.877) 1.251 2.200 ( 0.705 -0.115 0.777) 1.055 2.227 ( -0.930 3.896 -2.346) 4.642 2.243 ( 0.157 4.931 -0.859) 5.008 2.261 ( 0.479 3.478 -2.060) 4.071 2.299 ( 0.421 2.154 -2.130) 3.059 2.331 ( 2.587 4.526 0.615) 5.249 2.398 ( 1.132 0.699 -2.467) 2.803 2.491 ( 5.127 3.125 -5.477) 8.127 2.516 ( 2.701 3.560 -6.175) 7.623 2.597 ( 0.258 -4.420 3.362) 5.559 2.672 ( 1.044 -3.795 1.572) 4.238 2.690 ( -0.668 -2.545 2.111) 3.373 2.761 ( 2.778 -0.290 -1.048) 2.983 2.773 ( 0.887 -1.350 -0.285) 1.640 2.844 ( 1.537 -0.487 2.727) 3.168 2.894 ( 1.843 1.262 -0.976) 2.438 2.945 ( -1.870 -2.833 2.510) 4.222 2.984 ( -3.066 -1.389 0.835) 3.468 3.022 ( 3.917 0.247 0.273) 3.934 3.102 ( -1.285 -0.210 -1.746) 2.178 3.133 ( 1.642 -1.013 -1.140) 2.241 3.169 ( 0.943 -1.045 0.766) 1.603 3.194 ( -0.862 1.209 -2.437) 2.853 3.247 ( -2.339 0.241 0.021) 2.352 3.300 ( -0.453 0.227 -0.757) 0.911 3.355 ( -3.840 2.589 5.604) 7.270 3.387 ( 1.511 17.978 2.129) 18.167 3.445 ( -0.488 11.692 0.496) 11.712 3.516 ( -0.017 8.232 2.469) 8.594 3.560 ( 1.817 20.937 2.295) 21.141 3.587 ( -1.379 11.579 -1.182) 11.720 3.598 ( -0.716 -0.115 4.607) 4.663 3.643 ( -0.215 15.993 -3.133) 16.298 3.738 ( 3.647 3.215 -0.741) 4.918 3.772 ( 0.647 -2.334 -4.558) 5.161 3.820 ( -0.919 -0.536 0.213) 1.085 3.985 ( -0.594 4.297 1.421) 4.565 4.111 ( -8.140 -3.638 -4.729) 10.093 4.179 ( 1.382 0.517 -3.263) 3.581 4.247 ( 2.285 -3.195 0.310) 3.940 4.421 ( -2.875 0.268 1.501) 3.254 4.494 ( 2.475 -2.775 -0.120) 3.720 4.604 ( -5.846 1.747 -2.405) 6.558 4.699 ( -1.050 -2.225 1.244) 2.757 4.769 ( 0.484 -4.673 -5.861) 7.511 4.904 ( -1.066 -3.646 -2.569) 4.586 4.954 ( 6.956 -0.045 2.045) 7.250 4.975 ( 3.925 -2.193 -1.557) 4.758 5.201 ( 0.394 1.339 -7.357) 7.488 5.212 ( -6.070 -4.500 6.160) 9.749 5.301 ( -2.208 -1.624 -4.351) 5.143 5.391 ( 3.779 -0.581 5.864) 7.000 5.490 ( -4.150 -0.956 1.014) 4.378 5.586 ( -2.644 -0.955 6.267) 6.868 5.757 ( -9.082 -0.293 3.412) 9.706 5.940 ( -7.131 -8.802 2.150) 11.530 5.963 ( -5.561 -1.646 -0.318) 5.808 6.067 ( 0.630 -1.439 1.910) 2.473 6.122 ( 0.588 -0.644 1.043) 1.360 6.129 ( 0.031 0.535 -0.650) 0.843 6.245 ( -1.573 -3.727 2.515) 4.763 6.304 ( -2.560 -0.524 0.688) 2.702 6.412 ( 0.501 -0.520 -1.952) 2.081 6.540 ( 2.689 -0.324 5.108) 5.782 6.605 ( 1.685 -3.539 5.870) 7.058 6.749 ( 0.400 10.114 0.028) 10.122 6.791 ( 0.001 1.840 0.047) 1.841 6.824 ( -5.344 -4.496 1.341) 7.111 6.859 ( 0.090 8.860 -1.622) 9.007 6.942 ( 0.450 1.720 -0.786) 1.944 7.092 ( -4.433 -3.498 -4.570) 7.264 7.136 ( 3.075 5.168 1.273) 6.147 7.157 ( 2.451 12.074 -6.590) 13.972 7.240 ( -1.117 0.258 2.555) 2.801 7.322 ( 1.014 -3.928 4.199) 5.839 7.393 ( -2.062 -1.174 -3.872) 4.541 7.479 ( -0.871 1.084 -0.884) 1.648 7.517 ( 1.656 -0.413 4.367) 4.688 7.558 ( -3.233 -1.343 2.307) 4.192 7.596 ( 8.251 -0.891 3.437) 8.983 7.670 ( 1.028 4.510 6.227) 7.757 7.807 ( -0.011 -0.180 -5.922) 5.924 7.824 ( -2.391 0.367 -2.285) 3.328 7.859 ( -0.448 -1.401 -4.682) 4.907 7.923 ( -1.199 -2.891 -1.341) 3.405 7.949 ( 0.022 0.427 -7.180) 7.193 8.029 ( 3.250 2.414 0.082) 4.049 8.170 ( 0.229 1.190 5.044) 5.188 8.213 ( -1.367 -3.265 -1.594) 3.882 8.241 ( 0.991 -0.181 -0.473) 1.113 8.291 ( 3.201 -2.570 2.267) 4.689 8.412 ( -1.843 -2.899 -1.403) 3.711 8.428 ( 2.010 2.470 -4.852) 5.804 8.501 ( -1.537 -2.413 2.475) 3.783 8.522 ( -0.087 1.820 0.333) 1.852 8.563 ( -1.511 0.248 1.926) 2.460 8.656 ( -0.139 -0.644 -0.803) 1.039 8.672 ( -1.538 3.245 7.008) 7.875 8.720 ( 2.237 2.104 -2.365) 3.877 8.780 ( 3.416 -0.602 3.000) 4.586 8.823 ( -0.167 6.268 1.944) 6.565 8.857 ( 3.543 2.139 1.596) 4.436 8.923 ( 0.984 2.693 -0.429) 2.899 8.950 ( -2.183 5.245 -2.182) 6.086 8.988 ( -1.707 -1.330 2.409) 3.238 8.996 ( -0.667 0.046 2.129) 2.231 9.138 ( -0.248 -0.988 -4.390) 4.507 9.203 ( -4.576 -4.497 0.208) 6.419 9.288 ( -0.588 4.564 3.220) 5.616 9.351 ( -0.845 1.045 -2.328) 2.688 9.387 ( -1.466 4.595 0.446) 4.843 9.540 ( -5.915 6.475 3.275) 9.361 9.592 ( 1.603 -0.096 -0.334) 1.640 9.629 ( -0.901 0.715 -3.965) 4.129 9.686 ( -0.795 0.108 1.958) 2.116 9.795 ( -2.051 1.361 -8.951) 9.283 9.873 ( 9.974 -3.488 -4.980) 11.681 9.916 ( 3.290 0.350 -3.416) 4.755 9.970 ( 3.965 1.087 2.207) 4.666 10.043 ( -1.798 -0.162 -1.554) 2.382 10.081 ( -2.906 1.980 -0.252) 3.525 10.182 ( 3.601 3.978 1.685) 5.625 10.235 ( -1.332 6.330 1.862) 6.731 10.249 ( -0.019 4.699 -0.187) 4.703 10.363 ( 3.121 5.432 2.996) 6.945 10.487 ( -4.453 9.587 -1.422) 10.666 10.588 ( -4.167 2.640 0.448) 4.953 10.805 ( 22.792 4.894 9.538) 25.188 10.836 ( -0.226 -1.644 4.448) 4.747 11.014 ( 9.711 -8.462 3.182) 13.268 11.104 ( 4.792 6.192 3.243) 8.475 11.138 ( 9.809 -4.133 2.314) 10.893 11.202 ( 0.813 2.818 -0.671) 3.009 11.309 ( 2.964 -0.768 2.992) 4.281 11.329 ( 2.564 -1.428 -2.253) 3.700 11.451 ( 2.929 -1.225 -0.602) 3.231 11.526 ( 1.791 1.136 2.718) 3.448 11.598 ( 7.737 -0.467 -2.564) 8.165 11.701 ( 5.791 2.118 4.298) 7.516 11.737 ( 2.209 -0.198 -0.544) 2.284 11.838 ( 0.489 2.147 -1.776) 2.829 11.907 ( 3.588 4.045 0.594) 5.440 12.027 ( -3.511 2.457 -4.198) 5.999 12.194 ( 0.269 1.504 2.306) 2.766 12.365 ( 8.589 0.163 1.598) 8.738 12.399 ( 4.052 1.925 2.457) 5.115 12.425 ( 1.409 8.237 -2.305) 8.669 12.476 ( 4.486 1.387 -0.612) 4.735 12.726 ( -2.654 2.769 3.020) 4.881 12.780 ( -7.806 3.728 1.315) 8.750 12.915 ( -1.765 5.120 -1.499) 5.619 12.938 ( -6.272 4.631 2.492) 8.185 13.052 ( -10.914 2.968 2.115) 11.506 13.187 ( -1.163 -2.258 -7.086) 7.528 13.338 ( 7.947 -0.374 5.747) 9.814 13.386 ( -6.419 -0.430 -5.810) 8.669 13.446 ( -0.048 -3.249 -1.351) 3.519 13.590 ( 4.433 2.774 -0.852) 5.298 13.640 ( 2.266 0.350 1.117) 2.550 13.677 ( -2.311 1.648 0.292) 2.854 13.718 ( 0.971 2.442 1.671) 3.114 13.788 ( 6.221 -4.378 -2.661) 8.060 13.848 ( 9.075 -2.118 14.460) 17.202 14.094 ( 2.026 -3.422 -0.715) 4.040 14.152 ( -6.959 -4.061 2.570) 8.457 14.251 ( -5.977 -4.871 -3.872) 8.627 14.530 ( -3.082 -4.256 -6.231) 8.152 14.670 ( 4.396 -1.492 -0.277) 4.651 14.814 ( -2.669 1.356 -1.290) 3.260 14.844 ( 2.624 0.525 0.556) 2.733 14.948 ( -2.885 0.959 1.676) 3.472 15.160 ( 1.357 -2.901 0.716) 3.282 15.607 ( -9.656 -2.526 1.769) 10.136 15.889 ( 0.551 -3.180 2.295) 3.960 15.979 ( -16.364 -13.675 -9.575) 23.377 16.252 ( 2.762 -7.046 -6.516) 9.987 ======================= Grid point 53 (24/55) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 1.574 16.479 9.593) 19.132 1.081 ( -3.010 18.594 17.546) 25.742 1.556 ( -3.238 3.073 -11.821) 12.636 1.594 ( -1.898 17.332 0.382) 17.440 1.672 ( 0.402 13.379 5.052) 14.307 1.770 ( -0.166 28.487 9.875) 30.151 1.812 ( 1.657 11.317 -5.367) 12.635 1.894 ( 0.332 7.022 -6.619) 9.655 1.920 ( 3.629 2.303 -4.369) 6.129 1.994 ( 4.850 1.616 -3.619) 6.263 2.027 ( -1.719 -3.174 -2.047) 4.150 2.058 ( -3.787 -0.300 -1.835) 4.218 2.106 ( 0.177 3.790 -1.452) 4.062 2.143 ( 2.115 0.380 -0.883) 2.323 2.193 ( 0.359 4.972 2.852) 5.744 2.239 ( 0.959 -0.108 2.422) 2.607 2.250 ( -0.506 1.802 1.110) 2.176 2.286 ( 0.272 6.690 3.271) 7.452 2.298 ( -0.013 -1.984 -0.272) 2.002 2.357 ( 0.620 5.639 0.808) 5.730 2.440 ( 0.943 5.591 0.460) 5.688 2.449 ( 1.336 5.874 -1.103) 6.124 2.480 ( -0.684 0.374 0.334) 0.848 2.514 ( 0.389 4.546 1.969) 4.970 2.578 ( 0.192 -0.664 0.792) 1.051 2.604 ( -2.288 -1.248 -0.488) 2.652 2.649 ( 0.252 4.029 -3.345) 5.243 2.662 ( 0.701 0.830 -1.182) 1.605 2.749 ( -1.164 -0.621 0.466) 1.399 2.777 ( 0.611 -3.225 4.505) 5.574 2.806 ( -2.697 -2.907 -0.507) 3.998 2.840 ( -0.132 2.269 -3.543) 4.210 2.926 ( -0.983 -0.541 -0.986) 1.493 2.934 ( -0.326 0.155 -1.801) 1.837 3.045 ( -1.101 -3.100 -1.846) 3.772 3.086 ( 0.629 -3.038 0.617) 3.163 3.118 ( 2.159 -0.610 -2.291) 3.207 3.191 ( 3.771 -1.925 -0.216) 4.240 3.214 ( 2.247 -0.613 -1.077) 2.566 3.268 ( 0.547 2.485 3.456) 4.292 3.325 ( -1.965 0.999 4.192) 4.736 3.393 ( 2.434 4.004 0.583) 4.722 3.463 ( 0.811 0.418 1.308) 1.594 3.488 ( -5.656 -0.074 5.556) 7.929 3.589 ( -2.011 -1.738 -3.049) 4.045 3.688 ( 2.395 -1.740 -3.757) 4.783 3.706 ( -0.855 0.706 0.103) 1.114 3.751 ( -2.939 2.684 1.161) 4.146 3.805 ( -1.097 5.034 -2.323) 5.652 3.845 ( 2.317 2.417 0.768) 3.436 4.056 ( -1.326 27.612 0.235) 27.645 4.139 ( -0.924 -2.655 2.967) 4.088 4.194 ( -2.213 31.596 -2.967) 31.812 4.234 ( 0.079 22.368 0.807) 22.383 4.286 ( -3.816 12.334 -0.525) 12.921 4.298 ( 8.448 2.769 1.263) 8.979 4.436 ( 1.438 14.152 3.895) 14.748 4.540 ( -1.967 1.136 -3.117) 3.857 4.591 ( 2.020 4.396 0.799) 4.903 4.638 ( 2.109 9.518 -2.493) 10.063 4.718 ( -0.540 -0.967 1.577) 1.927 4.831 ( 1.601 -3.450 1.081) 3.954 4.926 ( -6.867 1.330 -4.946) 8.567 4.965 ( -1.284 -4.320 0.572) 4.543 5.119 ( 1.395 -1.619 -0.075) 2.139 5.164 ( -1.107 -0.026 -2.026) 2.308 5.285 ( 2.494 -0.505 -0.916) 2.704 5.442 ( -1.530 4.299 -1.320) 4.750 5.463 ( 4.143 -1.554 5.662) 7.186 5.579 ( 2.965 -3.889 4.335) 6.535 5.671 ( -3.714 2.180 3.657) 5.650 5.834 ( 2.107 2.216 -3.432) 4.596 5.865 ( 0.670 -0.869 2.342) 2.587 6.018 ( -0.876 -2.891 1.880) 3.558 6.077 ( 0.371 -1.187 -0.112) 1.248 6.103 ( -2.147 -5.200 1.289) 5.772 6.202 ( 0.397 -1.912 -0.461) 2.006 6.262 ( -2.147 0.723 -0.780) 2.396 6.333 ( -2.910 -0.595 -1.083) 3.161 6.541 ( -0.557 -3.684 4.843) 6.110 6.555 ( -1.057 -3.235 -2.269) 4.090 6.602 ( -1.238 -6.180 1.245) 6.424 6.762 ( -0.824 -3.648 -1.132) 3.907 6.844 ( 1.745 -3.295 2.392) 4.430 6.948 ( 2.917 -7.769 -1.862) 8.505 7.067 ( -2.521 3.752 -0.266) 4.528 7.072 ( 1.429 4.114 3.937) 5.870 7.179 ( -2.058 3.861 -3.408) 5.546 7.205 ( -0.861 -8.979 2.889) 9.472 7.256 ( 2.492 -1.977 -0.280) 3.193 7.324 ( 1.138 -3.577 1.673) 4.109 7.356 ( -1.602 -3.246 -2.795) 4.574 7.472 ( -0.416 0.794 1.655) 1.882 7.514 ( 0.639 10.286 -3.650) 10.933 7.578 ( -2.458 2.490 5.554) 6.564 7.660 ( -6.151 -4.362 -3.405) 8.274 7.699 ( -0.460 -2.359 2.480) 3.454 7.719 ( 2.572 2.331 -0.450) 3.500 7.805 ( -1.034 -0.644 -1.081) 1.629 7.870 ( 1.350 2.946 -2.044) 3.831 7.895 ( 0.701 3.221 -1.619) 3.673 7.958 ( -3.236 -6.053 -8.192) 10.687 8.026 ( 3.150 0.698 -6.077) 6.881 8.056 ( -6.216 -2.870 4.692) 8.300 8.144 ( 5.706 -1.860 1.889) 6.292 8.202 ( -1.554 -0.927 1.107) 2.121 8.273 ( 3.418 -9.528 0.394) 10.130 8.359 ( -0.005 -5.788 2.869) 6.460 8.409 ( 0.735 -9.136 3.352) 9.759 8.464 ( 0.922 -0.299 0.334) 1.025 8.532 ( -0.486 1.766 -0.513) 1.902 8.578 ( -1.388 -3.262 -4.025) 5.364 8.615 ( -3.939 -4.288 -3.397) 6.741 8.685 ( 0.712 -1.081 4.270) 4.462 8.709 ( 2.155 3.014 3.167) 4.874 8.796 ( -2.617 0.164 0.185) 2.628 8.840 ( 1.344 3.724 -0.226) 3.965 8.921 ( 0.676 6.402 2.983) 7.095 8.953 ( 0.898 -0.323 3.794) 3.913 8.992 ( 2.218 1.907 2.539) 3.873 9.042 ( -0.038 1.643 1.048) 1.949 9.068 ( 1.657 1.383 1.465) 2.608 9.128 ( -0.822 5.559 2.922) 6.334 9.184 ( 4.538 7.840 -1.358) 9.160 9.282 ( -2.911 -3.876 -4.238) 6.439 9.379 ( 0.656 1.525 -1.969) 2.575 9.435 ( 0.284 3.797 -5.579) 6.754 9.520 ( -2.735 4.789 1.538) 5.725 9.625 ( -1.380 4.697 -3.016) 5.750 9.667 ( 0.742 3.266 -0.806) 3.445 9.748 ( -0.985 14.266 -6.377) 15.658 9.833 ( 3.915 -1.528 -7.073) 8.228 9.883 ( 0.020 -2.823 -6.047) 6.673 9.948 ( 0.592 2.440 3.884) 4.625 10.094 ( 4.189 4.304 -3.662) 7.034 10.151 ( 4.949 1.161 4.934) 7.084 10.256 ( 0.789 -0.158 2.099) 2.248 10.292 ( -0.249 4.925 1.118) 5.056 10.391 ( 2.119 12.890 -0.763) 13.086 10.437 ( -1.094 10.425 0.356) 10.488 10.479 ( -4.067 0.121 1.743) 4.427 10.518 ( -3.148 2.147 5.772) 6.916 10.580 ( -4.967 -1.849 8.242) 9.799 10.726 ( 1.953 3.474 6.099) 7.285 10.808 ( -2.851 -11.983 -0.163) 12.319 10.901 ( -1.771 -6.677 -3.133) 7.585 11.161 ( 2.810 -1.765 -3.642) 4.928 11.202 ( 0.900 -6.617 -0.649) 6.709 11.250 ( -1.332 1.998 -0.946) 2.581 11.309 ( 3.024 -1.274 -5.073) 6.042 11.426 ( 1.584 -3.841 -0.009) 4.154 11.489 ( 0.012 -2.067 1.699) 2.675 11.621 ( -3.770 1.753 -1.060) 4.291 11.676 ( 0.470 0.642 -1.401) 1.611 11.790 ( -0.012 -1.522 -2.428) 2.866 11.807 ( -4.289 -0.727 -2.698) 5.119 11.987 ( 4.362 3.810 3.753) 6.901 12.046 ( 5.978 2.624 4.666) 8.024 12.121 ( -0.651 9.261 -3.169) 9.810 12.298 ( -2.333 8.043 4.418) 9.469 12.423 ( -1.893 3.315 1.581) 4.132 12.466 ( 2.857 5.537 -2.927) 6.884 12.548 ( -1.405 8.015 -4.063) 9.095 12.655 ( 1.060 1.705 -1.662) 2.606 12.708 ( -4.313 0.491 -3.109) 5.340 12.776 ( -16.287 1.918 -11.907) 20.267 12.900 ( -0.002 10.858 0.340) 10.863 12.952 ( -1.754 7.607 0.020) 7.807 13.048 ( 3.573 2.951 -6.514) 7.994 13.112 ( 1.866 6.656 -2.876) 7.487 13.234 ( 1.288 -6.040 3.225) 6.967 13.337 ( 1.564 -7.320 0.274) 7.490 13.412 ( -4.225 -6.653 6.237) 10.050 13.625 ( -1.190 2.609 -2.135) 3.575 13.654 ( -1.895 1.993 -2.616) 3.795 13.736 ( 1.743 -7.566 -1.817) 7.974 13.787 ( 2.373 4.289 3.302) 5.910 13.862 ( 1.871 6.023 2.082) 6.642 13.934 ( -6.023 -7.474 5.203) 10.918 14.000 ( -0.183 -5.228 -0.115) 5.232 14.035 ( -1.464 -3.488 -0.613) 3.832 14.068 ( 1.899 -7.893 -0.485) 8.133 14.490 ( 16.273 -7.981 9.421) 20.427 14.675 ( -0.631 -4.006 -0.583) 4.097 14.833 ( 1.920 1.086 0.353) 2.234 14.882 ( -1.071 -0.002 -0.453) 1.163 14.917 ( -1.339 1.026 1.175) 2.056 15.040 ( -1.391 -3.117 -2.059) 3.987 15.490 ( 1.816 -1.470 2.620) 3.511 15.557 ( -1.403 -2.112 0.236) 2.546 15.825 ( -0.734 -4.252 1.485) 4.563 16.099 ( 1.163 -10.069 -4.825) 11.226 ======================= Grid point 54 (25/55) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 14.611 13.544 7.263) 21.205 1.201 ( 5.294 15.313 14.558) 21.782 1.467 ( 0.696 4.543 -12.536) 13.352 1.534 ( -5.214 21.138 2.186) 21.882 1.597 ( -10.507 9.903 -0.995) 14.473 1.816 ( 1.246 11.084 -4.505) 12.029 1.839 ( 1.591 12.569 2.678) 12.949 1.876 ( 0.867 6.441 -6.222) 8.997 1.957 ( 2.282 1.229 0.647) 2.671 1.980 ( 0.733 9.299 3.559) 9.983 2.006 ( 0.136 -2.946 -3.065) 4.253 2.043 ( -0.463 3.529 -1.213) 3.760 2.069 ( -1.352 4.425 -1.498) 4.864 2.152 ( -0.910 1.110 0.333) 1.474 2.194 ( -1.548 1.691 -0.498) 2.346 2.211 ( -4.107 3.140 2.110) 5.583 2.252 ( -1.030 0.806 2.898) 3.179 2.301 ( 0.316 6.149 -0.817) 6.211 2.326 ( 0.596 0.432 0.938) 1.193 2.392 ( 1.906 5.109 2.269) 5.906 2.407 ( -2.694 4.674 -1.945) 5.735 2.445 ( -0.512 6.343 -1.490) 6.536 2.473 ( -0.477 2.092 1.582) 2.666 2.517 ( -1.985 -1.032 1.459) 2.671 2.530 ( -3.415 4.377 2.020) 5.908 2.586 ( -0.681 -2.171 1.948) 2.995 2.624 ( 0.223 7.274 -4.460) 8.535 2.661 ( 2.237 2.475 -0.177) 3.341 2.714 ( -2.512 -2.871 -2.143) 4.375 2.729 ( -1.079 -0.887 1.207) 1.846 2.793 ( -0.540 -0.457 1.084) 1.295 2.884 ( 0.846 0.646 2.188) 2.433 2.926 ( 2.424 -2.617 -0.461) 3.596 2.934 ( 2.105 0.182 -4.512) 4.982 2.996 ( -2.859 -0.851 -2.497) 3.890 3.071 ( 0.029 -3.970 -2.263) 4.570 3.153 ( 0.273 -2.049 0.814) 2.222 3.197 ( -2.737 0.613 -0.102) 2.806 3.215 ( -2.213 0.630 2.546) 3.432 3.314 ( 3.229 -2.306 1.582) 4.272 3.347 ( -5.540 2.174 7.139) 9.294 3.404 ( 0.103 2.036 1.954) 2.824 3.423 ( 2.316 -2.123 -3.381) 4.616 3.526 ( 1.475 -1.400 -5.636) 5.992 3.558 ( 1.604 2.186 5.816) 6.417 3.679 ( 0.512 0.993 -2.350) 2.602 3.712 ( -1.239 4.851 -2.570) 5.628 3.740 ( 0.229 1.245 0.141) 1.274 3.771 ( 0.551 1.359 0.332) 1.503 3.885 ( 1.514 0.360 -0.427) 1.614 4.051 ( -0.707 21.784 1.376) 21.839 4.065 ( -3.804 16.617 0.286) 17.049 4.157 ( -0.548 7.094 -1.639) 7.302 4.222 ( -0.380 17.856 -1.752) 17.946 4.305 ( 3.104 19.017 1.295) 19.312 4.396 ( -0.061 15.209 0.070) 15.209 4.429 ( -1.992 9.741 3.378) 10.500 4.597 ( 0.387 3.361 -3.397) 4.794 4.619 ( -0.510 8.008 -2.609) 8.438 4.623 ( 5.367 1.762 1.774) 5.921 4.764 ( 2.998 3.346 -2.349) 5.070 4.810 ( -2.353 2.053 -1.393) 3.419 4.880 ( 3.967 -3.092 -1.842) 5.356 4.916 ( -3.382 -2.475 -0.176) 4.195 5.072 ( -1.456 -1.200 3.488) 3.966 5.220 ( 3.247 -2.315 -0.192) 3.992 5.345 ( -0.116 1.660 -1.360) 2.149 5.424 ( 4.879 0.833 1.581) 5.196 5.542 ( -2.774 0.368 5.725) 6.372 5.627 ( -1.203 -2.790 -0.818) 3.147 5.723 ( 8.225 -2.399 2.374) 8.890 5.924 ( 5.484 0.171 1.755) 5.760 5.938 ( 2.546 -0.941 0.799) 2.830 6.006 ( -1.581 -5.740 1.845) 6.233 6.065 ( 1.319 -2.160 -1.248) 2.822 6.111 ( 2.034 -1.523 1.767) 3.095 6.188 ( -2.454 -1.709 0.037) 2.990 6.210 ( -1.343 0.530 -1.943) 2.421 6.327 ( 2.873 -0.079 2.768) 3.990 6.504 ( -3.967 -2.817 2.708) 5.568 6.524 ( -1.623 -1.571 -0.450) 2.304 6.596 ( 1.404 -6.738 2.188) 7.222 6.785 ( 1.758 -3.013 0.482) 3.522 6.832 ( -2.209 -4.815 -0.186) 5.301 6.913 ( -9.594 -2.185 0.001) 9.840 7.060 ( 5.629 -1.800 -1.190) 6.028 7.132 ( 1.025 1.329 1.321) 2.136 7.141 ( -0.602 -1.820 -4.691) 5.067 7.205 ( -0.219 0.265 1.067) 1.121 7.323 ( 3.459 -3.654 0.982) 5.126 7.326 ( 1.270 -0.943 1.561) 2.222 7.380 ( 3.679 1.068 1.036) 3.969 7.446 ( -0.939 -0.100 1.736) 1.976 7.510 ( -2.350 0.967 -0.536) 2.597 7.538 ( -2.750 1.815 4.426) 5.518 7.610 ( 4.748 -0.416 -1.065) 4.884 7.686 ( -3.877 -4.182 -0.376) 5.715 7.735 ( 2.555 3.588 -0.530) 4.437 7.823 ( 2.274 -3.953 -2.074) 5.010 7.876 ( -0.223 5.282 -5.886) 7.911 7.916 ( -0.251 -3.574 -3.361) 4.912 7.929 ( 2.304 -0.906 2.477) 3.502 8.005 ( 2.679 -1.034 -2.077) 3.544 8.060 ( 0.896 -0.065 2.293) 2.463 8.166 ( -4.190 -6.387 5.382) 9.344 8.218 ( 1.583 -0.630 0.099) 1.706 8.324 ( 0.931 -5.715 1.740) 6.047 8.358 ( -3.413 -4.649 -1.601) 5.986 8.399 ( -1.685 -5.098 -0.053) 5.370 8.438 ( -4.081 -4.071 -0.118) 5.766 8.506 ( 0.657 -3.116 -0.780) 3.279 8.546 ( 2.274 -3.577 -2.696) 5.023 8.571 ( -0.138 -0.380 0.801) 0.897 8.646 ( -1.702 -2.198 -0.465) 2.818 8.741 ( 0.229 2.854 -1.849) 3.408 8.845 ( 3.524 4.318 3.291) 6.473 8.875 ( 0.786 8.619 2.666) 9.056 8.942 ( -1.014 3.482 -0.142) 3.630 8.981 ( -0.884 4.675 5.802) 7.504 9.017 ( -3.426 1.412 3.495) 5.094 9.092 ( 3.365 1.017 -2.701) 4.433 9.146 ( 10.459 -2.391 1.295) 10.807 9.158 ( -3.805 4.850 -5.327) 8.147 9.232 ( 5.228 8.900 0.315) 10.327 9.256 ( 2.347 5.156 -1.571) 5.879 9.368 ( 0.242 3.555 -4.001) 5.358 9.428 ( -3.794 6.265 -1.043) 7.399 9.526 ( 5.004 4.271 -5.407) 8.516 9.572 ( 2.070 2.281 3.336) 4.540 9.697 ( 0.988 4.269 -5.188) 6.791 9.771 ( 2.505 8.256 -1.609) 8.777 9.808 ( -3.403 0.818 -4.327) 5.565 9.867 ( 0.169 -1.843 -1.977) 2.708 9.980 ( -0.865 3.113 5.245) 6.160 10.142 ( 1.663 3.130 -2.586) 4.387 10.186 ( -6.784 2.626 6.562) 9.797 10.203 ( -8.272 8.493 -2.079) 12.037 10.265 ( -4.291 1.596 3.927) 6.032 10.301 ( -2.162 -3.367 1.258) 4.194 10.420 ( 2.576 1.975 0.867) 3.359 10.464 ( 2.753 13.761 2.190) 14.204 10.544 ( -0.942 -2.382 6.453) 6.943 10.578 ( 2.209 0.725 1.471) 2.751 10.675 ( -10.523 -11.370 2.788) 15.742 10.766 ( 1.640 3.571 -2.083) 4.448 10.880 ( 0.404 -1.826 0.875) 2.064 11.074 ( -9.537 3.462 -2.677) 10.493 11.207 ( -2.134 -3.059 -1.674) 4.088 11.230 ( -0.654 -5.401 -0.948) 5.522 11.325 ( 0.574 -5.765 -7.463) 9.448 11.359 ( -7.898 2.170 -1.798) 8.386 11.474 ( -4.218 2.442 4.639) 6.729 11.485 ( -6.281 4.036 0.241) 7.470 11.527 ( -11.336 -1.465 -4.113) 12.148 11.635 ( 0.975 3.792 0.589) 3.960 11.697 ( -3.271 3.053 -0.995) 4.583 11.971 ( -7.322 6.066 -0.670) 9.532 11.995 ( -4.793 3.834 2.997) 6.831 12.225 ( 0.344 4.666 0.986) 4.782 12.240 ( -6.554 5.848 -5.542) 10.386 12.313 ( 0.957 0.109 4.784) 4.880 12.387 ( -2.108 6.068 3.415) 7.275 12.558 ( 1.118 5.431 -0.029) 5.545 12.597 ( -1.697 2.795 -1.327) 3.529 12.651 ( 4.620 3.142 -4.850) 7.399 12.784 ( 6.873 8.640 2.849) 11.402 12.957 ( 7.150 4.225 -1.440) 8.429 13.040 ( 3.245 3.640 1.571) 5.123 13.081 ( 2.316 9.011 -2.443) 9.619 13.185 ( 7.236 -1.181 -4.253) 8.476 13.314 ( 1.839 -9.048 4.393) 10.225 13.339 ( -0.735 -2.017 1.371) 2.547 13.410 ( 3.614 -3.568 -0.576) 5.111 13.566 ( -3.442 1.347 -3.007) 4.765 13.631 ( -0.710 0.911 0.954) 1.498 13.698 ( -4.366 -6.970 -1.078) 8.294 13.727 ( -6.362 -1.308 1.875) 6.761 13.836 ( -4.196 4.298 3.094) 6.756 13.844 ( -4.501 4.085 0.667) 6.115 14.026 ( 1.861 -4.153 0.667) 4.600 14.062 ( 2.452 -3.572 0.675) 4.385 14.178 ( 9.007 -11.116 0.210) 14.308 14.544 ( -7.873 -6.260 -2.462) 10.356 14.609 ( -6.159 -6.900 0.470) 9.261 14.825 ( 1.152 2.178 -0.331) 2.486 14.894 ( 0.106 3.779 0.438) 3.806 15.005 ( 4.321 -1.648 1.637) 4.906 15.080 ( 2.950 0.459 -0.753) 3.079 15.605 ( 5.833 -4.258 3.515) 8.032 15.750 ( 15.209 -9.576 -3.444) 18.299 15.802 ( -1.184 -4.217 0.721) 4.438 16.083 ( -0.899 -10.052 -4.936) 11.235 ======================= Grid point 55 (26/55) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -16.170 11.880 -1.093) 20.095 1.315 ( 11.477 12.146 5.846) 17.704 1.400 ( -5.470 17.042 4.478) 18.450 1.491 ( 4.657 17.373 2.183) 18.119 1.504 ( 7.455 7.185 -8.458) 13.369 1.807 ( -1.322 7.356 -1.898) 7.711 1.829 ( -0.739 9.952 -2.767) 10.356 1.867 ( -1.784 9.553 -0.887) 9.759 1.962 ( -1.448 6.947 -5.263) 8.835 1.985 ( -0.400 0.735 2.413) 2.554 2.017 ( 0.083 0.584 -1.032) 1.189 2.059 ( 1.607 1.473 -2.191) 3.091 2.075 ( -0.060 6.625 3.815) 7.645 2.136 ( -0.396 0.098 0.705) 0.815 2.162 ( 0.559 1.641 2.719) 3.224 2.179 ( 1.634 3.960 1.454) 4.524 2.262 ( -0.452 6.396 3.947) 7.530 2.297 ( 0.047 1.963 -0.095) 1.966 2.316 ( -0.180 1.979 -1.501) 2.490 2.363 ( -1.084 0.434 -1.095) 1.600 2.374 ( -2.764 4.781 -1.550) 5.736 2.441 ( -1.182 9.108 -2.111) 9.424 2.463 ( 0.265 6.400 0.121) 6.406 2.487 ( 1.886 2.316 -1.392) 3.295 2.502 ( -1.548 -2.685 1.636) 3.504 2.578 ( -0.864 -0.328 0.832) 1.244 2.620 ( 0.887 5.282 -2.324) 5.839 2.677 ( -0.574 -3.171 0.554) 3.270 2.724 ( 2.065 4.187 -1.260) 4.836 2.748 ( 0.905 -0.031 3.678) 3.788 2.791 ( 0.240 -1.325 0.398) 1.405 2.893 ( -0.014 -1.617 0.529) 1.702 2.938 ( 0.566 -0.475 -1.512) 1.683 2.968 ( 1.227 -1.126 -3.250) 3.652 2.972 ( 1.590 -0.670 -1.631) 2.374 3.048 ( -0.495 -4.754 -3.537) 5.946 3.101 ( -4.105 -2.127 -0.411) 4.641 3.138 ( -1.459 -0.701 2.581) 3.046 3.221 ( -0.584 -2.883 1.970) 3.541 3.286 ( -0.598 2.920 2.239) 3.728 3.342 ( -1.708 0.936 2.339) 3.044 3.412 ( -1.041 1.694 0.354) 2.020 3.444 ( 1.255 -4.094 -0.115) 4.283 3.536 ( 2.029 -1.274 1.624) 2.894 3.617 ( 0.900 2.387 -0.228) 2.562 3.669 ( -1.203 2.819 0.497) 3.105 3.713 ( -0.227 1.171 0.996) 1.553 3.752 ( 2.799 1.632 -1.543) 3.588 3.787 ( 1.388 4.945 -2.534) 5.727 3.894 ( -0.529 0.443 -1.751) 1.882 4.000 ( 0.001 8.834 0.688) 8.861 4.064 ( -0.377 21.434 1.041) 21.462 4.174 ( 2.587 10.778 0.511) 11.096 4.258 ( 3.234 17.426 1.110) 17.758 4.320 ( -0.768 22.807 -1.195) 22.852 4.363 ( -2.606 19.614 -0.541) 19.794 4.413 ( -1.558 10.253 3.161) 10.841 4.520 ( -3.400 5.638 -4.860) 8.183 4.655 ( 2.698 2.155 -1.963) 3.972 4.752 ( -0.009 -1.848 1.193) 2.199 4.759 ( 1.130 3.969 -2.756) 4.963 4.777 ( 1.047 0.602 0.492) 1.304 4.865 ( 1.397 -0.222 -2.609) 2.968 4.925 ( 0.711 -2.292 -5.006) 5.552 5.144 ( 3.122 -2.549 6.196) 7.391 5.199 ( -3.321 -3.439 -0.387) 4.797 5.333 ( -0.565 1.109 -1.621) 2.044 5.430 ( -4.844 -1.463 -0.162) 5.063 5.521 ( -3.144 -2.828 3.336) 5.386 5.589 ( -1.271 -0.597 -0.235) 1.424 5.859 ( 3.672 1.452 0.784) 4.025 5.907 ( -3.795 -4.695 6.347) 8.760 6.003 ( 0.132 -0.961 -0.020) 0.970 6.045 ( 1.178 -4.413 0.679) 4.618 6.071 ( -1.595 -0.905 1.466) 2.348 6.138 ( 1.054 1.783 0.177) 2.079 6.166 ( -0.701 -1.828 -1.136) 2.264 6.231 ( 3.497 -3.682 1.225) 5.223 6.412 ( 2.776 -0.881 3.371) 4.455 6.434 ( -3.451 -4.119 2.175) 5.797 6.498 ( 0.055 -3.571 2.982) 4.652 6.677 ( 1.432 -5.956 3.624) 7.117 6.762 ( 0.367 -7.442 -2.463) 7.847 6.813 ( -0.832 -2.754 2.798) 4.013 6.871 ( 5.405 -1.420 5.229) 7.653 7.084 ( -1.998 3.533 -2.746) 4.900 7.100 ( -0.356 0.226 -2.928) 2.958 7.186 ( 0.649 0.131 -0.677) 0.947 7.220 ( 3.817 -0.640 -0.211) 3.876 7.335 ( -1.838 5.994 0.133) 6.270 7.396 ( 0.211 -5.790 0.464) 5.812 7.402 ( -1.877 -4.873 2.590) 5.829 7.463 ( -0.534 -3.179 -3.025) 4.421 7.480 ( -3.252 2.778 5.305) 6.815 7.502 ( 1.727 1.508 -0.029) 2.293 7.614 ( -1.965 -0.012 4.274) 4.704 7.676 ( 0.888 6.354 -1.063) 6.503 7.768 ( -0.489 -6.773 -3.099) 7.465 7.816 ( -2.033 -0.412 -1.962) 2.855 7.841 ( 0.589 -4.587 -4.233) 6.270 7.907 ( 1.647 1.579 -1.526) 2.745 8.004 ( -3.293 -0.911 2.262) 4.098 8.043 ( 1.049 0.850 -0.099) 1.354 8.084 ( 1.047 -2.529 -0.351) 2.759 8.154 ( 4.031 -0.170 2.897) 4.967 8.223 ( 0.266 -6.379 2.712) 6.936 8.254 ( -0.691 -0.505 3.279) 3.389 8.313 ( -0.816 -2.240 -1.378) 2.753 8.418 ( 1.656 -7.122 3.053) 7.924 8.444 ( 0.574 -0.540 -3.422) 3.512 8.484 ( 0.557 0.196 2.398) 2.470 8.564 ( -0.897 0.402 -1.276) 1.611 8.633 ( 0.728 -4.118 -0.906) 4.279 8.645 ( 6.119 -2.736 -5.053) 8.394 8.759 ( -1.761 -2.167 -1.615) 3.226 8.811 ( -1.343 3.128 -1.001) 3.548 8.885 ( -2.303 8.544 2.217) 9.122 8.908 ( -2.686 0.828 1.178) 3.048 8.978 ( -0.946 2.132 1.116) 2.586 9.003 ( -1.203 5.837 7.774) 9.796 9.046 ( -2.405 5.644 -1.864) 6.412 9.151 ( 0.759 3.402 -3.137) 4.689 9.215 ( -1.866 9.770 -5.542) 11.386 9.259 ( 2.554 5.250 -2.031) 6.182 9.331 ( 1.906 5.441 1.165) 5.882 9.427 ( 0.665 2.135 -2.497) 3.352 9.473 ( 1.755 4.732 -3.821) 6.330 9.586 ( 5.042 -2.336 0.057) 5.557 9.620 ( -3.080 0.474 -0.260) 3.127 9.630 ( 5.358 2.424 -1.842) 6.162 9.736 ( 0.057 4.995 0.487) 5.019 9.835 ( -0.469 5.720 0.952) 5.818 9.852 ( -12.144 4.276 2.693) 13.154 9.943 ( 7.635 2.819 0.559) 8.158 9.956 ( -0.914 3.090 2.181) 3.891 10.036 ( -7.934 6.569 -0.428) 10.309 10.162 ( -0.612 2.640 -4.987) 5.676 10.250 ( -2.816 0.252 3.664) 4.628 10.318 ( 0.566 1.678 5.053) 5.354 10.403 ( -6.877 -3.363 3.852) 8.570 10.493 ( -2.388 0.485 2.952) 3.828 10.609 ( 6.770 0.573 5.726) 8.885 10.628 ( 3.772 3.055 -1.856) 5.196 10.693 ( 9.647 4.600 2.599) 10.999 10.792 ( 3.763 6.008 -0.783) 7.132 10.825 ( -5.006 3.936 -7.111) 9.546 10.907 ( -3.444 3.309 -1.281) 4.945 11.127 ( 1.464 2.561 -0.793) 3.055 11.225 ( -0.418 -9.250 0.446) 9.270 11.247 ( -0.392 2.221 -1.656) 2.799 11.331 ( 2.749 -11.400 -2.440) 11.978 11.339 ( -3.101 -0.980 -3.745) 4.960 11.451 ( -0.959 1.571 0.254) 1.858 11.498 ( 1.344 1.496 4.514) 4.941 11.674 ( 2.196 5.306 3.285) 6.616 11.734 ( 4.706 2.274 -4.889) 7.157 11.873 ( -1.206 2.842 1.664) 3.507 11.900 ( -2.927 2.251 -0.400) 3.714 12.200 ( -0.416 3.361 -0.543) 3.429 12.222 ( 1.610 3.072 -0.732) 3.545 12.274 ( -1.087 5.440 2.507) 6.088 12.381 ( -1.569 4.473 3.528) 5.909 12.539 ( -1.124 5.636 -3.796) 6.888 12.639 ( 0.752 5.562 0.478) 5.633 12.682 ( 3.046 3.463 2.917) 5.457 12.948 ( 3.129 1.160 1.657) 3.726 13.031 ( -2.278 6.710 2.499) 7.514 13.064 ( 0.959 0.912 1.313) 1.864 13.107 ( 1.873 3.404 0.099) 3.887 13.272 ( -5.774 -4.697 1.209) 7.541 13.330 ( 4.049 -0.050 -3.463) 5.328 13.404 ( 2.892 0.667 -1.320) 3.248 13.476 ( 1.984 0.365 -1.047) 2.272 13.539 ( -0.024 2.044 -1.206) 2.374 13.569 ( -1.048 -1.326 -0.816) 1.877 13.609 ( -1.687 -5.353 -1.196) 5.738 13.656 ( -1.094 -1.875 5.002) 5.453 13.757 ( 0.387 2.394 0.537) 2.484 13.810 ( -1.460 4.955 1.213) 5.306 14.002 ( -1.299 -4.246 -1.847) 4.809 14.141 ( 0.608 -6.925 1.565) 7.126 14.284 ( -3.759 -9.471 -2.611) 10.519 14.453 ( 2.630 -5.916 -0.161) 6.476 14.479 ( -1.798 -6.607 -1.829) 7.088 14.842 ( 0.212 2.938 0.691) 3.026 14.910 ( 0.544 3.905 -1.183) 4.116 15.035 ( -2.403 2.380 1.517) 3.707 15.111 ( 1.252 -0.254 -0.818) 1.517 15.672 ( -3.089 -4.761 2.826) 6.340 15.773 ( 1.077 -4.612 1.136) 4.871 15.993 ( -1.380 -11.346 -5.372) 12.629 15.995 ( 3.655 -10.613 -5.013) 12.294 ======================= Grid point 56 (27/55) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -12.079 16.629 1.176) 20.587 1.186 ( -12.982 16.554 14.206) 25.385 1.553 ( 5.680 11.849 1.569) 13.233 1.611 ( 2.810 18.643 5.932) 19.764 1.663 ( 3.826 3.032 -5.454) 7.320 1.768 ( 5.054 3.028 -9.986) 11.595 1.796 ( -4.928 26.109 7.551) 27.622 1.818 ( 1.759 12.446 -5.761) 13.827 1.923 ( 0.229 10.496 -8.556) 13.544 1.964 ( -0.494 1.497 -0.409) 1.628 2.030 ( 0.154 -1.533 2.516) 2.950 2.074 ( 1.838 1.395 -0.308) 2.328 2.102 ( 0.682 0.838 0.630) 1.251 2.141 ( -0.060 -1.805 -1.731) 2.501 2.189 ( 0.586 2.198 0.172) 2.281 2.229 ( 0.048 4.155 1.039) 4.284 2.237 ( -1.309 -0.451 -0.329) 1.423 2.266 ( -0.029 6.328 3.888) 7.427 2.316 ( -0.633 -0.182 -3.118) 3.187 2.349 ( 0.128 5.049 -0.115) 5.052 2.385 ( 2.931 0.888 2.004) 3.660 2.424 ( 1.226 8.791 -1.660) 9.030 2.464 ( 0.671 7.396 -1.749) 7.629 2.501 ( 1.141 -0.099 -0.126) 1.152 2.565 ( 0.884 2.518 0.924) 2.824 2.573 ( 3.877 -3.949 0.580) 5.565 2.642 ( 0.815 1.419 0.422) 1.690 2.666 ( -0.306 1.704 -2.060) 2.691 2.744 ( 0.801 -0.733 -1.034) 1.499 2.758 ( 0.394 0.616 0.278) 0.782 2.799 ( 0.040 -3.042 1.619) 3.446 2.890 ( -0.241 -1.291 -1.106) 1.717 2.938 ( 0.309 1.150 -2.118) 2.430 2.977 ( -4.053 1.512 0.617) 4.369 3.018 ( 2.744 -4.991 -0.990) 5.781 3.025 ( 4.358 -0.852 1.653) 4.738 3.092 ( 2.706 -3.457 -4.501) 6.288 3.158 ( 1.040 -0.963 1.529) 2.085 3.181 ( -1.772 -1.957 0.825) 2.766 3.294 ( -3.612 2.280 2.194) 4.801 3.325 ( 2.808 3.462 0.036) 4.458 3.383 ( -3.250 1.557 4.412) 5.696 3.462 ( -0.503 -2.869 2.435) 3.797 3.539 ( -1.840 -0.660 3.618) 4.112 3.637 ( -1.008 0.504 0.243) 1.153 3.667 ( 1.366 -0.936 -2.409) 2.923 3.706 ( 1.120 0.083 -0.849) 1.408 3.786 ( 1.285 3.017 -0.888) 3.397 3.815 ( 1.729 7.840 -1.807) 8.229 3.836 ( -4.185 1.512 -1.156) 4.597 4.068 ( 0.577 18.183 1.253) 18.235 4.073 ( 5.257 6.814 1.801) 8.792 4.192 ( -2.042 14.958 -1.074) 15.135 4.260 ( -1.848 21.631 0.167) 21.711 4.291 ( -3.316 24.313 -1.287) 24.572 4.354 ( 2.729 23.198 0.349) 23.361 4.402 ( -2.016 -0.364 1.868) 2.773 4.501 ( 3.828 6.129 -0.035) 7.226 4.652 ( -4.431 4.364 -2.535) 6.716 4.660 ( -4.626 -1.941 -5.723) 7.611 4.700 ( 0.751 -0.131 0.370) 0.848 4.845 ( -2.039 -1.162 -1.864) 2.997 4.941 ( 5.821 -0.606 -2.250) 6.270 4.952 ( 5.057 -0.474 2.580) 5.697 5.093 ( -3.386 -6.000 3.473) 7.715 5.232 ( -3.084 1.039 -3.543) 4.811 5.259 ( -0.402 -1.780 -0.170) 1.833 5.401 ( 1.486 1.290 2.320) 3.042 5.484 ( -1.621 -0.431 3.016) 3.452 5.561 ( -2.179 -0.096 1.991) 2.953 5.757 ( -7.099 -0.167 1.480) 7.253 5.876 ( -4.294 -0.503 -0.141) 4.326 5.928 ( -5.658 -1.590 0.807) 5.932 6.040 ( -1.108 -1.717 2.706) 3.391 6.074 ( -0.398 -2.860 0.977) 3.048 6.135 ( -1.504 -3.650 -0.534) 3.984 6.190 ( 2.124 0.107 0.152) 2.132 6.277 ( 0.412 -1.974 0.791) 2.166 6.389 ( -1.655 -2.427 -0.282) 2.951 6.479 ( 2.338 -4.097 5.168) 6.997 6.543 ( 2.222 -3.643 2.380) 4.886 6.655 ( -3.267 -7.871 -0.474) 8.535 6.783 ( 1.175 -2.755 0.860) 3.116 6.818 ( -0.515 -3.958 0.648) 4.043 6.975 ( -2.489 -4.968 -3.921) 6.800 7.025 ( -0.150 3.984 1.143) 4.147 7.095 ( 0.236 3.669 3.145) 4.838 7.200 ( -0.115 -7.598 3.841) 8.515 7.226 ( -2.582 3.971 -2.345) 5.286 7.287 ( 2.322 -2.008 -2.346) 3.864 7.301 ( -5.879 1.269 -0.006) 6.014 7.407 ( 0.318 -5.035 -1.959) 5.412 7.438 ( -1.049 -3.691 2.064) 4.357 7.534 ( 1.047 9.267 -4.093) 10.185 7.550 ( 7.622 0.310 3.510) 8.397 7.611 ( -0.960 4.012 2.705) 4.933 7.697 ( -0.471 0.023 4.782) 4.805 7.751 ( -0.500 -3.355 2.424) 4.169 7.819 ( 0.622 0.343 0.616) 0.941 7.847 ( 3.524 -3.693 -2.990) 5.915 7.914 ( -0.897 6.384 -2.660) 6.974 7.943 ( 1.362 -3.611 -1.626) 4.188 8.046 ( 1.083 0.410 -0.285) 1.192 8.114 ( -6.594 -2.247 -0.855) 7.019 8.147 ( 2.050 -7.277 1.107) 7.640 8.225 ( -3.195 -3.174 4.380) 6.282 8.257 ( -1.004 2.243 -7.090) 7.504 8.328 ( 1.768 -3.510 1.723) 4.292 8.416 ( -1.579 -5.086 0.556) 5.354 8.454 ( 0.383 -0.578 -4.251) 4.307 8.517 ( -0.857 0.802 1.472) 1.882 8.577 ( 4.544 -4.822 1.785) 6.862 8.625 ( -0.856 -1.573 -1.577) 2.386 8.671 ( -1.060 -0.684 2.578) 2.870 8.723 ( -0.694 -0.642 -4.389) 4.490 8.821 ( 0.366 -2.024 4.162) 4.642 8.852 ( -1.149 3.465 1.585) 3.979 8.897 ( 1.742 1.768 -0.129) 2.485 8.947 ( -2.192 0.953 0.866) 2.542 8.979 ( -1.521 1.716 0.471) 2.341 9.033 ( -0.596 3.779 1.612) 4.151 9.114 ( -3.774 4.873 -2.550) 6.670 9.137 ( -1.678 8.412 -2.758) 9.010 9.187 ( -4.405 2.419 1.534) 5.254 9.336 ( -1.828 0.244 -0.945) 2.072 9.398 ( -1.985 1.835 -2.621) 3.766 9.487 ( -2.346 7.678 -1.876) 8.245 9.566 ( -0.597 0.598 1.420) 1.653 9.643 ( 4.002 -0.809 -0.125) 4.085 9.688 ( -4.023 4.766 -3.419) 7.113 9.732 ( 1.732 5.432 -2.724) 6.318 9.807 ( 6.526 -1.258 -1.570) 6.829 9.890 ( -2.595 3.744 -4.398) 6.332 9.903 ( 2.456 4.087 -1.835) 5.109 9.996 ( 6.188 1.735 3.061) 7.118 10.111 ( -4.679 3.790 0.299) 6.028 10.178 ( 6.999 4.553 -1.457) 8.476 10.238 ( 5.707 3.255 1.010) 6.648 10.330 ( 1.902 5.461 4.203) 7.149 10.399 ( -0.546 7.799 3.435) 8.539 10.496 ( 1.896 8.218 3.751) 9.230 10.595 ( -4.033 1.492 2.930) 5.204 10.654 ( -7.826 4.336 -0.447) 8.959 10.742 ( -1.816 -3.181 5.308) 6.449 10.779 ( 4.400 -8.437 3.291) 10.069 10.890 ( 4.555 -3.217 -2.758) 6.221 11.088 ( 9.171 -1.179 -1.639) 9.391 11.185 ( 0.970 -3.755 -6.158) 7.277 11.223 ( 2.813 -4.960 0.844) 5.764 11.284 ( 1.372 6.194 -3.638) 7.313 11.325 ( 7.865 -2.679 -2.961) 8.821 11.456 ( 2.047 1.739 0.879) 2.826 11.509 ( 11.852 -1.968 -1.107) 12.066 11.594 ( 8.924 1.378 3.032) 9.525 11.724 ( -2.269 0.764 -0.619) 2.473 11.787 ( 6.714 4.685 0.767) 8.223 11.877 ( 1.518 1.335 -1.299) 2.403 11.941 ( 3.657 0.556 -0.272) 3.709 12.156 ( -0.943 9.757 0.458) 9.813 12.286 ( 0.859 7.480 3.335) 8.235 12.379 ( 5.366 2.497 1.309) 6.062 12.425 ( 10.617 1.405 1.716) 10.846 12.506 ( -0.828 3.215 -3.976) 5.180 12.618 ( -2.476 8.439 -2.697) 9.199 12.735 ( -0.067 0.612 2.749) 2.817 12.901 ( -3.573 5.596 5.616) 8.696 12.989 ( -3.004 7.010 0.333) 7.634 13.091 ( -0.056 3.717 -0.301) 3.729 13.101 ( -8.783 -1.564 -2.668) 9.311 13.140 ( -2.619 3.452 -0.777) 4.403 13.284 ( -5.004 -3.588 0.348) 6.167 13.357 ( -2.845 -4.544 -1.093) 5.471 13.398 ( -0.111 -0.563 -0.309) 0.652 13.642 ( 3.934 -2.987 -1.986) 5.324 13.659 ( 5.116 1.972 0.700) 5.528 13.660 ( 5.655 -2.344 -3.577) 7.090 13.730 ( 1.718 2.460 1.301) 3.270 13.788 ( 2.097 3.752 5.347) 6.861 13.824 ( 5.261 0.216 4.875) 7.176 13.996 ( 1.232 -6.801 -1.760) 7.132 14.063 ( -5.933 -4.480 1.380) 7.561 14.130 ( -6.858 -7.349 -1.529) 10.168 14.420 ( -2.977 -7.070 -4.555) 8.922 14.610 ( 6.694 -5.427 0.041) 8.618 14.841 ( -0.980 1.472 0.271) 1.789 14.886 ( -1.111 3.718 -0.544) 3.919 14.968 ( -3.618 0.945 0.885) 3.843 15.105 ( -2.049 -2.207 0.033) 3.012 15.553 ( -7.233 -2.663 1.299) 7.817 15.758 ( -12.813 -8.934 -2.393) 15.803 15.817 ( 0.270 -4.504 1.455) 4.741 16.082 ( 3.105 -10.381 -5.052) 11.955 ======================= Grid point 57 (28/55) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -0.027 18.009 5.193) 18.743 1.430 ( -2.467 17.670 11.137) 21.033 1.587 ( -1.455 -1.496 -4.269) 4.752 1.766 ( -1.773 0.342 -3.832) 4.236 1.786 ( -0.006 3.480 -0.116) 3.482 1.923 ( -1.270 -4.111 -3.846) 5.771 1.930 ( -2.504 -4.167 -1.135) 4.992 1.982 ( 1.312 2.828 -2.491) 3.990 2.046 ( 1.223 8.475 -2.707) 8.981 2.059 ( 0.081 8.739 -0.197) 8.742 2.089 ( 1.105 3.229 -5.178) 6.202 2.126 ( 0.043 -1.769 -1.581) 2.372 2.144 ( 3.439 -1.019 1.975) 4.095 2.214 ( 2.113 3.217 -1.817) 4.256 2.251 ( -0.806 2.916 -0.168) 3.030 2.278 ( 1.044 6.132 3.007) 6.909 2.336 ( -1.326 4.557 2.410) 5.323 2.348 ( -0.004 11.468 4.909) 12.474 2.378 ( 0.674 5.796 2.054) 6.186 2.425 ( 1.030 1.919 -0.186) 2.186 2.458 ( -0.662 0.629 -0.549) 1.066 2.479 ( -1.248 1.833 2.630) 3.440 2.529 ( 0.441 -3.347 -1.121) 3.558 2.564 ( -0.594 -1.540 2.883) 3.322 2.585 ( 1.579 4.159 1.107) 4.584 2.664 ( -0.232 3.978 1.271) 4.183 2.667 ( 0.959 3.156 1.980) 3.847 2.716 ( -2.739 -0.162 4.553) 5.316 2.757 ( 0.248 3.918 1.654) 4.260 2.771 ( -1.432 1.696 -3.219) 3.910 2.803 ( -1.625 2.085 -3.477) 4.368 2.881 ( 5.990 -0.381 -4.170) 7.308 2.919 ( -0.640 0.057 -0.566) 0.857 2.956 ( -0.355 2.474 -3.480) 4.284 2.999 ( -2.136 0.217 -0.220) 2.158 3.042 ( 0.513 -1.224 -0.745) 1.522 3.092 ( -0.520 -1.832 -0.475) 1.962 3.124 ( 3.767 -4.586 2.355) 6.385 3.215 ( 3.259 -1.918 -0.218) 3.788 3.292 ( -2.531 -3.758 3.243) 5.572 3.324 ( 1.639 2.992 1.998) 3.953 3.385 ( -0.962 -1.057 -0.156) 1.438 3.476 ( -0.555 -0.612 -0.444) 0.938 3.493 ( -1.665 -3.120 -2.123) 4.125 3.566 ( 0.645 2.704 5.256) 5.946 3.642 ( 1.704 -2.464 -2.245) 3.743 3.718 ( -0.226 1.022 1.697) 1.994 3.766 ( -1.276 -1.021 -0.328) 1.667 3.849 ( -3.950 0.882 -2.106) 4.562 3.904 ( 1.073 4.604 -2.412) 5.307 4.048 ( -2.085 -2.877 2.704) 4.465 4.216 ( 0.095 -4.636 -0.817) 4.709 4.318 ( 2.175 4.747 2.060) 5.614 4.403 ( 0.852 1.161 -0.792) 1.643 4.492 ( -1.239 1.060 -1.424) 2.165 4.602 ( -0.160 2.834 -2.625) 3.866 4.636 ( 1.972 -1.458 3.964) 4.661 4.689 ( -1.866 3.752 0.643) 4.240 4.762 ( 1.515 0.947 -1.140) 2.119 4.859 ( -1.653 6.291 2.154) 6.852 4.871 ( 1.537 20.562 -1.012) 20.644 4.949 ( -0.070 24.327 -1.995) 24.409 5.055 ( 3.154 12.959 1.749) 13.451 5.081 ( 1.074 4.371 1.597) 4.776 5.172 ( -0.516 19.535 0.135) 19.542 5.242 ( 0.446 9.253 -0.495) 9.277 5.357 ( -3.039 8.259 0.523) 8.816 5.482 ( 1.973 9.429 3.517) 10.255 5.532 ( 4.651 3.557 1.826) 6.134 5.558 ( -3.144 7.895 -1.217) 8.585 5.689 ( -2.786 0.384 -0.749) 2.910 5.828 ( 2.326 -4.448 -3.478) 6.107 5.867 ( 1.275 -0.353 3.942) 4.158 5.973 ( -3.049 -3.073 2.031) 4.781 6.022 ( 1.172 -1.755 -0.416) 2.151 6.054 ( -0.956 -0.662 3.765) 3.940 6.144 ( -1.103 -4.114 -1.138) 4.408 6.266 ( -1.414 -0.175 -2.120) 2.554 6.352 ( -0.230 1.265 0.045) 1.287 6.451 ( -0.923 -6.504 -1.353) 6.706 6.462 ( 2.314 -4.045 5.037) 6.862 6.517 ( -0.245 -3.770 0.405) 3.800 6.687 ( -0.801 -4.041 -2.210) 4.675 6.738 ( 0.153 -10.254 -2.153) 10.479 6.816 ( 1.634 -2.526 2.496) 3.909 6.909 ( -4.586 -18.947 1.220) 19.532 6.967 ( 1.844 -11.436 2.405) 11.831 7.000 ( 0.844 -11.151 1.069) 11.234 7.082 ( 1.333 -10.762 -2.576) 11.146 7.165 ( -0.110 -9.568 4.276) 10.480 7.251 ( -0.453 0.563 -2.675) 2.771 7.370 ( -2.810 -0.495 -5.634) 6.315 7.435 ( -0.224 -2.548 3.685) 4.486 7.534 ( -6.071 -2.765 -8.126) 10.513 7.603 ( -2.521 -1.264 0.890) 2.957 7.643 ( -2.533 -1.538 1.195) 3.196 7.686 ( -0.664 2.042 0.233) 2.160 7.742 ( 1.857 -1.628 5.501) 6.030 7.878 ( 1.438 3.104 -4.688) 5.804 7.899 ( -4.847 2.196 -2.672) 5.955 7.936 ( -1.368 -1.014 5.107) 5.383 7.986 ( -2.663 3.938 0.130) 4.755 8.045 ( 1.424 1.833 5.337) 5.820 8.055 ( 2.925 1.332 2.193) 3.891 8.078 ( 2.697 -3.509 1.034) 4.545 8.129 ( -0.043 2.507 0.121) 2.510 8.256 ( 1.594 -1.754 -1.011) 2.577 8.287 ( -2.721 4.329 -5.137) 7.248 8.326 ( 1.915 2.794 0.285) 3.400 8.434 ( -0.335 0.834 -1.165) 1.471 8.474 ( -2.593 -6.040 -3.485) 7.440 8.508 ( -2.349 -4.131 -3.570) 5.944 8.593 ( 1.153 0.253 -2.534) 2.796 8.641 ( 0.424 -1.956 -0.038) 2.002 8.783 ( 2.836 3.093 2.260) 4.766 8.809 ( 2.986 -0.046 -1.606) 3.391 8.885 ( 3.487 -3.114 4.514) 6.498 8.942 ( 2.207 -2.574 0.431) 3.418 8.949 ( -1.683 -0.375 2.097) 2.715 9.021 ( 0.880 -0.485 0.619) 1.180 9.075 ( 2.841 6.411 -1.557) 7.182 9.200 ( -1.410 4.455 -1.318) 4.855 9.226 ( 2.154 3.462 3.119) 5.133 9.281 ( -2.844 10.571 3.987) 11.650 9.406 ( 1.343 0.490 -2.472) 2.855 9.413 ( 2.048 12.487 -2.441) 12.887 9.538 ( -0.639 5.652 -3.673) 6.771 9.569 ( 0.881 0.356 2.402) 2.583 9.644 ( -0.478 3.045 -1.203) 3.308 9.745 ( 0.960 0.212 -3.200) 3.348 9.780 ( 1.784 -4.718 -8.266) 9.684 9.855 ( 0.623 4.050 -1.377) 4.323 9.959 ( 1.243 1.861 0.393) 2.272 10.032 ( -0.170 1.069 4.897) 5.016 10.134 ( 2.195 4.601 1.669) 5.364 10.210 ( 0.241 0.050 0.484) 0.543 10.274 ( 0.051 6.277 8.112) 10.257 10.299 ( 0.224 0.519 3.768) 3.811 10.408 ( -4.591 -4.672 10.961) 12.769 10.466 ( -4.163 -0.754 0.094) 4.232 10.542 ( -3.386 -2.392 4.592) 6.187 10.581 ( -1.116 -3.067 -0.204) 3.270 10.679 ( -0.886 4.050 -3.297) 5.297 10.733 ( 0.625 2.843 -4.897) 5.697 10.779 ( -1.266 13.624 -1.708) 13.789 10.872 ( 2.451 4.073 5.370) 7.171 11.031 ( 0.079 -10.223 -3.971) 10.967 11.123 ( 1.592 -3.835 -6.627) 7.821 11.187 ( 0.552 -4.937 2.728) 5.668 11.257 ( -0.908 -6.930 -6.066) 9.255 11.416 ( 2.146 1.589 -2.272) 3.506 11.459 ( 2.238 -1.069 -0.671) 2.570 11.665 ( 1.573 1.013 -2.028) 2.759 11.691 ( -3.513 2.672 -2.178) 4.922 11.727 ( -0.957 -2.861 -0.394) 3.043 11.806 ( -1.751 -1.245 -5.246) 5.668 12.039 ( 4.109 2.023 6.453) 7.913 12.069 ( 5.931 0.504 5.672) 8.222 12.338 ( -5.504 12.573 -3.300) 14.116 12.505 ( -5.535 10.899 2.139) 12.410 12.511 ( 4.508 7.799 3.989) 9.852 12.557 ( 0.139 3.809 -2.522) 4.570 12.639 ( -2.807 0.721 -0.729) 2.988 12.670 ( 4.944 -1.715 -1.695) 5.501 12.737 ( -8.376 -2.165 -9.784) 13.060 12.790 ( -1.992 6.653 -2.160) 7.273 13.025 ( 0.281 -7.367 3.116) 8.004 13.076 ( 2.036 3.080 -0.977) 3.819 13.115 ( -0.441 6.299 -0.543) 6.338 13.142 ( -2.407 0.830 -0.193) 2.554 13.190 ( -1.138 0.370 1.430) 1.865 13.254 ( -0.404 0.572 0.345) 0.781 13.323 ( 0.028 2.691 2.231) 3.495 13.526 ( 0.649 -10.594 -2.020) 10.804 13.651 ( -1.315 -2.931 -0.546) 3.258 13.726 ( 0.454 -6.807 -0.171) 6.825 13.739 ( 0.163 -1.085 -3.704) 3.863 13.808 ( -0.289 -4.146 0.435) 4.179 13.865 ( -3.527 -2.074 -2.655) 4.877 13.933 ( -1.543 -5.178 -1.036) 5.502 14.046 ( 2.892 9.676 3.745) 10.771 14.102 ( 1.624 7.657 1.823) 8.037 14.348 ( 11.236 -7.422 7.095) 15.221 14.536 ( -1.645 -10.510 -0.613) 10.655 14.847 ( -0.373 0.559 0.203) 0.702 14.867 ( -0.452 -0.955 -0.491) 1.165 14.956 ( 0.084 2.859 0.511) 2.905 15.022 ( -0.132 -0.129 -1.028) 1.045 15.477 ( 0.361 0.281 1.553) 1.619 15.525 ( -0.936 -1.359 0.169) 1.659 15.757 ( -0.266 -2.123 0.470) 2.190 15.911 ( 0.972 -9.287 -3.079) 9.833 ======================= Grid point 58 (29/55) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 12.022 13.840 4.915) 18.979 1.478 ( 1.009 13.555 9.177) 16.400 1.566 ( 2.062 5.013 -7.165) 8.985 1.742 ( 0.350 -2.848 -0.242) 2.880 1.773 ( -3.776 8.219 0.708) 9.072 1.856 ( -2.727 0.511 -1.995) 3.417 1.887 ( -1.757 -4.328 -0.935) 4.764 1.918 ( -3.928 3.146 -1.954) 5.399 1.998 ( 0.426 4.614 -1.643) 4.916 2.073 ( -0.075 2.240 -4.650) 5.162 2.092 ( 0.091 0.763 -0.823) 1.127 2.131 ( 0.815 2.048 -1.775) 2.830 2.177 ( -1.259 2.326 0.102) 2.647 2.203 ( -0.965 1.804 -0.489) 2.104 2.258 ( 0.471 3.411 0.686) 3.511 2.296 ( -0.734 5.137 0.192) 5.192 2.330 ( 0.325 2.982 1.690) 3.443 2.363 ( -2.209 1.914 1.608) 3.336 2.378 ( -3.608 3.491 0.552) 5.051 2.400 ( 0.066 7.193 1.904) 7.441 2.446 ( -1.195 3.717 0.002) 3.904 2.485 ( 0.375 2.210 2.219) 3.154 2.537 ( 1.365 0.286 3.418) 3.692 2.565 ( -1.236 2.739 2.121) 3.678 2.616 ( -3.583 -3.477 0.461) 5.014 2.625 ( 2.052 3.208 1.229) 4.001 2.658 ( -0.585 6.688 0.598) 6.740 2.689 ( -1.138 -0.089 -0.579) 1.280 2.745 ( 1.211 5.542 -3.473) 6.652 2.768 ( -0.267 -0.510 -0.624) 0.849 2.800 ( 0.804 4.279 1.918) 4.758 2.893 ( -0.808 1.626 -1.973) 2.681 2.932 ( -0.139 -1.596 -4.027) 4.334 2.945 ( -0.855 -1.810 -1.012) 2.243 2.956 ( 0.754 2.805 -0.298) 2.920 3.022 ( -1.309 -1.095 -1.411) 2.215 3.122 ( 2.234 -1.001 0.008) 2.448 3.185 ( -1.373 -2.897 0.217) 3.213 3.219 ( -3.964 -0.578 3.419) 5.266 3.272 ( 1.352 -2.371 5.554) 6.188 3.321 ( -2.383 -3.853 0.211) 4.535 3.394 ( -5.919 2.098 3.277) 7.084 3.409 ( 3.740 -2.183 -0.493) 4.358 3.489 ( 0.129 -2.673 -4.917) 5.598 3.607 ( 2.845 0.798 2.058) 3.601 3.699 ( 2.985 -2.672 -0.713) 4.069 3.707 ( -1.569 2.831 -2.542) 4.116 3.764 ( 0.026 0.544 0.293) 0.619 3.800 ( 2.589 2.402 0.372) 3.551 3.901 ( -0.605 2.769 -2.445) 3.743 4.006 ( -2.034 -4.748 1.674) 5.430 4.115 ( -6.060 -4.003 0.274) 7.268 4.349 ( -0.949 5.773 0.549) 5.877 4.494 ( 0.736 1.324 -1.627) 2.223 4.530 ( 8.526 1.362 1.675) 8.795 4.615 ( 1.639 3.326 -1.015) 3.844 4.680 ( 2.519 3.278 0.705) 4.194 4.706 ( 2.772 -0.222 0.981) 2.948 4.776 ( 0.240 4.336 -2.340) 4.933 4.851 ( -1.432 1.187 -0.766) 2.011 4.901 ( 2.415 20.307 0.125) 20.450 4.938 ( 0.358 22.601 -1.842) 22.679 5.039 ( -3.880 10.654 2.463) 11.603 5.126 ( -0.207 19.912 1.440) 19.965 5.144 ( -1.259 17.446 -0.611) 17.502 5.222 ( -0.108 8.949 -1.580) 9.088 5.409 ( 1.770 9.332 3.535) 10.135 5.486 ( -2.834 6.197 1.684) 7.020 5.542 ( 2.844 1.681 2.869) 4.376 5.598 ( -1.956 1.699 -3.099) 4.039 5.698 ( 6.667 -0.033 0.948) 6.734 5.871 ( 0.441 -4.013 -0.702) 4.098 5.926 ( 3.610 -3.938 -0.306) 5.351 5.941 ( 0.536 -1.539 3.905) 4.231 6.059 ( -0.008 -0.546 4.636) 4.668 6.066 ( 2.225 -1.421 -0.452) 2.679 6.115 ( -0.606 -4.140 -0.392) 4.202 6.258 ( 0.291 2.687 -1.903) 3.305 6.339 ( 0.410 1.699 0.871) 1.953 6.440 ( -3.179 -4.507 -0.533) 5.541 6.473 ( 1.376 -5.268 1.806) 5.737 6.485 ( -2.947 -2.437 2.348) 4.488 6.654 ( -4.298 -9.615 -4.238) 11.353 6.766 ( -0.128 -3.647 -0.734) 3.722 6.773 ( -2.054 -11.552 1.527) 11.832 6.895 ( 3.910 -10.057 1.344) 10.874 6.996 ( 0.966 -9.540 -0.849) 9.626 7.094 ( 4.937 -7.263 4.167) 9.721 7.150 ( -0.188 -14.027 -1.841) 14.148 7.175 ( 1.873 -8.672 1.478) 8.995 7.218 ( 0.291 -10.229 -1.719) 10.376 7.286 ( 0.301 -6.051 1.243) 6.185 7.393 ( -5.055 0.681 2.423) 5.647 7.467 ( 4.524 -1.945 0.644) 4.966 7.521 ( -2.992 -0.873 -0.564) 3.167 7.626 ( -1.272 -2.305 0.546) 2.689 7.694 ( -1.000 4.045 -1.108) 4.311 7.814 ( 0.125 5.187 0.137) 5.190 7.818 ( -0.362 -1.115 3.911) 4.083 7.874 ( 1.684 0.429 2.162) 2.774 7.917 ( -2.584 -3.199 2.497) 4.811 7.994 ( 1.333 -0.389 -3.544) 3.806 8.063 ( -1.056 4.485 -2.374) 5.183 8.090 ( 0.139 1.009 0.336) 1.073 8.113 ( 4.489 7.099 1.307) 8.500 8.182 ( -1.922 -4.603 4.638) 6.811 8.218 ( -1.874 -2.443 -3.969) 5.024 8.271 ( 2.554 -2.464 -1.442) 3.830 8.313 ( -3.194 2.653 -3.359) 5.341 8.415 ( 2.977 -1.426 -0.329) 3.318 8.466 ( 0.202 0.975 -0.026) 0.996 8.487 ( 1.823 0.143 -1.485) 2.356 8.595 ( -0.297 1.313 -0.978) 1.664 8.670 ( 2.317 0.899 -2.330) 3.407 8.803 ( -1.832 3.082 -2.020) 4.115 8.868 ( 2.853 -1.532 1.222) 3.461 8.930 ( -0.225 -3.791 -0.186) 3.802 8.954 ( 0.445 -2.624 2.485) 3.641 8.963 ( -3.108 0.460 -2.157) 3.811 9.061 ( 6.330 -2.964 -0.917) 7.050 9.128 ( 1.047 7.460 -2.197) 7.847 9.254 ( 6.994 6.228 -1.479) 9.481 9.284 ( 0.755 8.372 1.439) 8.528 9.312 ( 3.730 5.310 1.771) 6.726 9.419 ( 2.549 0.671 -1.899) 3.249 9.471 ( 3.397 10.379 -1.130) 10.979 9.558 ( -2.089 5.267 1.651) 5.902 9.575 ( 3.127 2.864 -0.145) 4.243 9.653 ( 2.405 7.459 -3.187) 8.460 9.733 ( -0.509 0.666 -5.529) 5.592 9.784 ( 0.915 -1.249 -5.456) 5.671 9.847 ( 0.161 3.489 3.003) 4.606 9.981 ( -5.088 2.203 3.923) 6.792 10.056 ( 0.393 0.829 9.796) 9.839 10.127 ( 1.133 -4.083 2.079) 4.720 10.209 ( -1.057 6.519 0.135) 6.606 10.243 ( -9.125 -1.062 6.336) 11.160 10.308 ( 0.320 3.203 4.813) 5.790 10.366 ( -2.654 -2.067 2.248) 4.046 10.404 ( -0.026 -2.579 0.716) 2.677 10.491 ( -4.392 3.749 2.660) 6.358 10.512 ( -7.143 -1.194 4.471) 8.511 10.635 ( -3.416 7.472 -4.376) 9.309 10.748 ( 5.438 -2.894 -3.580) 7.125 10.769 ( 3.795 10.523 -4.768) 12.160 10.905 ( -2.001 3.501 5.318) 6.674 11.014 ( -0.128 -9.653 -0.636) 9.675 11.106 ( -0.632 -2.962 -4.740) 5.625 11.135 ( -4.430 -9.417 -7.675) 12.931 11.174 ( -4.037 -7.307 -3.659) 9.115 11.375 ( -4.383 1.364 -2.814) 5.384 11.470 ( -3.434 -2.021 -1.955) 4.438 11.551 ( -9.051 2.662 2.218) 9.692 11.571 ( -5.495 2.737 -1.334) 6.282 11.703 ( 3.467 3.519 -1.879) 5.285 11.754 ( -1.035 2.080 -2.259) 3.241 12.051 ( -6.474 2.763 4.359) 8.279 12.083 ( -10.388 3.963 2.309) 11.356 12.255 ( 1.001 0.974 0.519) 1.490 12.320 ( -9.533 0.946 -5.009) 10.810 12.422 ( -1.923 10.522 2.153) 10.911 12.545 ( -1.634 8.958 3.151) 9.635 12.617 ( 1.023 3.688 1.933) 4.288 12.642 ( 1.985 1.219 -0.046) 2.330 12.754 ( -0.102 3.824 -3.191) 4.981 12.822 ( 6.141 -0.507 -2.728) 6.739 13.067 ( 0.883 -5.832 2.907) 6.576 13.100 ( 0.392 -5.461 0.749) 5.526 13.138 ( 1.217 4.330 3.222) 5.533 13.175 ( 3.742 8.385 -0.344) 9.188 13.257 ( 9.112 5.302 -2.545) 10.846 13.291 ( 4.918 -1.824 0.871) 5.317 13.417 ( 4.759 5.143 -0.709) 7.043 13.476 ( -3.139 -9.453 -1.602) 10.089 13.639 ( -3.533 -1.564 -0.231) 3.871 13.671 ( -1.455 2.946 -1.330) 3.545 13.703 ( -3.918 0.440 -0.818) 4.027 13.781 ( -2.327 -10.290 0.164) 10.551 13.867 ( 3.960 -5.875 2.511) 7.517 13.943 ( 2.911 -8.199 -1.226) 8.787 14.021 ( -2.593 7.242 0.115) 7.693 14.139 ( -1.150 7.223 1.761) 7.523 14.399 ( -6.997 -9.141 -2.002) 11.684 14.460 ( -5.236 -8.619 1.517) 10.198 14.874 ( 2.990 2.847 0.246) 4.136 14.949 ( 2.214 0.529 -0.062) 2.277 14.999 ( 6.147 2.160 0.610) 6.543 15.088 ( 4.499 -0.213 -0.473) 4.529 15.544 ( 4.282 -1.801 1.905) 5.021 15.611 ( 8.463 -5.262 -1.260) 10.045 15.741 ( -1.138 -1.612 -0.028) 1.973 15.898 ( -1.281 -9.023 -2.991) 9.591 ======================= Grid point 59 (30/55) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -10.867 12.240 -0.200) 16.370 1.535 ( 9.640 10.400 4.047) 14.747 1.623 ( 6.905 7.257 -6.687) 12.044 1.676 ( -4.516 13.252 4.908) 14.835 1.736 ( -0.741 3.307 2.887) 4.452 1.847 ( 1.876 2.324 3.175) 4.359 1.883 ( 2.500 -2.927 0.443) 3.875 1.933 ( 2.690 -2.146 -1.625) 3.805 2.005 ( 0.809 1.999 1.316) 2.527 2.027 ( -1.564 0.015 -2.718) 3.136 2.087 ( 0.525 3.460 -2.174) 4.120 2.123 ( -2.747 0.867 -0.808) 2.992 2.150 ( 0.931 4.141 -1.795) 4.609 2.178 ( -1.532 -5.095 0.223) 5.325 2.264 ( 0.354 3.051 -0.392) 3.096 2.270 ( -2.755 0.627 -1.667) 3.280 2.299 ( -0.040 6.236 -0.108) 6.237 2.331 ( 0.394 9.374 -1.124) 9.449 2.374 ( 0.801 0.781 1.514) 1.882 2.421 ( 0.141 7.977 2.583) 8.386 2.441 ( 0.389 0.042 -0.710) 0.810 2.459 ( -1.037 2.385 0.208) 2.609 2.504 ( -2.613 4.843 0.033) 5.504 2.574 ( -1.179 -4.204 2.708) 5.138 2.593 ( 1.097 0.267 0.704) 1.331 2.639 ( -0.219 7.666 -3.371) 8.377 2.642 ( -2.340 5.961 1.133) 6.504 2.725 ( 0.336 2.438 -1.157) 2.719 2.740 ( 0.410 -1.333 2.352) 2.735 2.761 ( 1.279 4.929 -1.378) 5.276 2.807 ( -0.663 1.425 0.927) 1.825 2.878 ( 0.949 -2.237 -3.321) 4.115 2.904 ( -0.292 -3.962 -2.545) 4.718 2.944 ( 2.484 -1.753 -3.364) 4.534 2.961 ( -0.756 0.876 -1.745) 2.094 3.006 ( 0.903 1.985 -1.681) 2.753 3.097 ( -4.495 1.238 1.807) 5.000 3.130 ( -1.451 -0.965 3.315) 3.745 3.170 ( -2.116 -1.338 1.624) 2.984 3.302 ( -0.773 -2.812 2.452) 3.810 3.332 ( 1.878 -4.570 1.830) 5.269 3.357 ( -0.229 0.322 6.203) 6.215 3.437 ( -0.259 -0.293 -4.118) 4.136 3.483 ( 2.704 -3.676 1.297) 4.744 3.662 ( 0.178 2.325 -0.484) 2.381 3.681 ( -2.591 0.895 -1.353) 3.057 3.753 ( 0.763 0.829 -0.502) 1.233 3.782 ( 2.714 1.214 1.016) 3.142 3.826 ( 0.998 2.074 -2.163) 3.158 3.866 ( -0.137 -1.349 -2.925) 3.225 3.997 ( 1.009 -2.408 2.560) 3.656 4.060 ( 0.019 -3.553 0.342) 3.570 4.349 ( 0.668 3.273 1.792) 3.790 4.468 ( -1.496 0.045 -3.351) 3.670 4.618 ( -1.194 1.397 2.852) 3.393 4.660 ( -0.025 1.853 -1.944) 2.686 4.710 ( -0.569 7.285 -0.016) 7.307 4.730 ( 0.331 1.228 -1.367) 1.867 4.777 ( 0.557 9.159 0.811) 9.211 4.856 ( -2.972 8.112 -1.704) 8.805 4.905 ( 6.496 1.846 -0.423) 6.766 4.959 ( -0.512 24.679 -3.193) 24.890 4.989 ( -1.540 11.062 -0.748) 11.194 5.071 ( -3.113 25.980 -1.697) 26.221 5.131 ( -0.798 8.752 3.317) 9.394 5.250 ( 2.931 13.627 0.301) 13.942 5.402 ( -4.131 8.961 0.967) 9.915 5.430 ( -0.498 4.223 1.418) 4.483 5.509 ( -2.534 4.122 -0.789) 4.903 5.618 ( 0.853 3.988 0.086) 4.080 5.834 ( 2.754 -2.386 2.431) 4.381 5.858 ( -0.782 -2.039 0.420) 2.224 5.951 ( -1.027 -5.978 0.155) 6.067 5.976 ( -0.786 -3.110 1.191) 3.422 6.052 ( -1.712 -2.571 1.167) 3.303 6.065 ( -1.395 -4.929 1.424) 5.317 6.151 ( 1.332 -2.761 0.303) 3.081 6.246 ( 1.077 4.546 -2.125) 5.132 6.358 ( -2.836 -3.482 0.432) 4.512 6.395 ( 3.155 -1.169 1.357) 3.628 6.426 ( -1.670 -2.899 2.227) 4.019 6.555 ( -2.458 -7.518 -0.379) 7.919 6.607 ( 7.807 -8.813 2.151) 11.968 6.723 ( -0.634 -5.909 1.417) 6.110 6.816 ( 2.011 -4.972 2.790) 6.045 6.943 ( -0.909 -11.168 -1.217) 11.271 7.037 ( 1.392 -12.321 1.504) 12.490 7.118 ( -1.494 -10.222 -1.686) 10.467 7.146 ( -0.904 -5.054 6.143) 8.006 7.215 ( 2.626 -8.351 -1.345) 8.857 7.230 ( -4.171 -11.485 0.849) 12.248 7.300 ( 1.831 -2.385 1.789) 3.499 7.410 ( 3.700 -4.869 8.712) 10.645 7.481 ( 0.763 1.462 -1.940) 2.547 7.547 ( -2.744 -0.395 1.035) 2.959 7.614 ( -3.201 2.887 -3.553) 5.586 7.652 ( 4.246 -2.927 0.950) 5.244 7.767 ( -6.301 0.671 7.326) 9.686 7.832 ( 1.496 2.746 -2.313) 3.890 7.870 ( -1.113 1.708 -2.185) 2.988 7.956 ( 1.339 1.285 -0.205) 1.867 7.983 ( -0.634 -7.396 1.040) 7.496 8.042 ( -0.417 0.311 0.233) 0.570 8.067 ( 0.140 -3.339 0.906) 3.463 8.134 ( 4.969 5.728 0.614) 7.608 8.234 ( 3.966 6.805 0.721) 7.909 8.240 ( -0.577 0.602 0.264) 0.875 8.303 ( -0.242 -0.677 -0.532) 0.894 8.322 ( 4.555 1.084 -0.018) 4.682 8.424 ( -1.773 -0.142 1.050) 2.065 8.487 ( 2.876 -1.900 -2.583) 4.307 8.522 ( 0.614 -1.953 2.602) 3.311 8.607 ( 1.501 4.723 -4.443) 6.656 8.690 ( 0.200 1.557 -3.125) 3.497 8.754 ( -1.578 2.877 -2.508) 4.130 8.878 ( -1.411 -1.008 0.329) 1.765 8.887 ( -3.136 1.324 0.342) 3.421 8.923 ( 0.027 -1.119 -2.016) 2.306 8.965 ( -0.815 -3.760 -1.686) 4.200 9.086 ( -2.859 -0.421 -8.042) 8.545 9.127 ( -0.428 4.538 -1.137) 4.697 9.276 ( -1.112 7.345 -0.430) 7.441 9.319 ( 0.588 4.731 -1.358) 4.957 9.377 ( -1.198 2.072 -4.629) 5.212 9.439 ( -1.403 0.236 -4.452) 4.674 9.525 ( 3.379 9.848 -0.120) 10.412 9.546 ( -2.986 2.235 1.223) 3.926 9.613 ( 5.289 2.949 2.318) 6.485 9.630 ( -1.639 5.238 -2.498) 6.030 9.666 ( -2.395 3.643 -1.999) 4.797 9.799 ( -1.172 2.104 -1.462) 2.817 9.902 ( -1.928 0.961 4.182) 4.705 9.956 ( -10.633 3.472 5.394) 12.418 10.015 ( 7.153 2.459 3.911) 8.515 10.053 ( -3.438 3.469 3.862) 6.227 10.198 ( 2.126 9.185 0.322) 9.434 10.225 ( 2.082 -8.558 3.584) 9.509 10.261 ( -4.831 6.431 1.502) 8.183 10.302 ( -4.515 4.954 4.995) 8.360 10.364 ( -0.017 2.924 2.150) 3.629 10.482 ( 1.546 -5.400 9.179) 10.761 10.530 ( 5.224 2.297 2.001) 6.048 10.665 ( 5.537 2.684 -2.667) 6.706 10.792 ( 0.419 -5.244 -6.891) 8.670 10.826 ( -3.160 3.363 1.590) 4.881 10.923 ( 7.737 5.606 -4.878) 10.727 11.009 ( -4.689 1.839 -2.518) 5.631 11.039 ( 0.075 -9.012 0.334) 9.019 11.080 ( 4.992 -10.579 0.156) 11.698 11.103 ( 1.022 -4.677 -7.375) 8.793 11.247 ( -2.758 -0.539 -5.606) 6.271 11.355 ( -0.745 -0.123 -7.383) 7.421 11.514 ( -0.150 4.154 5.311) 6.744 11.557 ( 2.113 3.821 3.305) 5.477 11.766 ( 3.251 3.930 1.100) 5.217 11.783 ( 4.533 2.460 -4.287) 6.707 11.906 ( -5.262 0.989 1.412) 5.538 11.926 ( -4.891 0.503 0.393) 4.933 12.227 ( 2.353 1.057 0.156) 2.584 12.260 ( -1.136 0.377 0.233) 1.219 12.438 ( 2.328 10.259 1.516) 10.628 12.535 ( -2.518 10.815 5.011) 12.183 12.621 ( -2.334 3.239 -1.553) 4.283 12.657 ( 1.004 0.641 3.053) 3.277 12.792 ( 3.979 1.878 -1.501) 4.649 12.898 ( 2.176 -1.910 -1.330) 3.186 13.051 ( -3.567 -6.770 1.410) 7.781 13.128 ( 1.350 -3.818 1.702) 4.393 13.157 ( -2.147 0.138 5.036) 5.476 13.230 ( 1.134 12.022 0.363) 12.081 13.358 ( -0.507 4.444 -1.248) 4.644 13.420 ( 0.772 -8.430 -2.222) 8.752 13.454 ( 1.363 2.380 -1.682) 3.218 13.500 ( 6.921 1.224 -1.263) 7.141 13.542 ( -0.900 -3.296 1.977) 3.948 13.625 ( -4.340 4.353 0.304) 6.154 13.685 ( 0.595 4.035 0.033) 4.079 13.741 ( 1.459 -4.168 0.445) 4.438 13.908 ( -2.469 1.467 -0.093) 2.873 13.940 ( -1.070 -3.407 -1.601) 3.913 14.015 ( 2.371 -2.500 1.050) 3.602 14.126 ( -3.564 -4.534 -1.461) 5.949 14.318 ( 0.766 -7.985 -0.291) 8.027 14.337 ( -1.743 -8.182 -1.707) 8.538 14.907 ( -0.241 3.722 0.873) 3.830 14.971 ( 0.223 1.927 -0.699) 2.062 15.086 ( -1.003 2.688 0.278) 2.882 15.118 ( 0.071 0.713 -0.822) 1.091 15.604 ( -1.354 -1.782 1.379) 2.629 15.690 ( 0.613 -4.037 0.446) 4.108 15.804 ( 3.329 -7.901 -3.175) 9.143 15.818 ( -2.039 -7.561 -2.529) 8.230 ======================= Grid point 60 (31/55) ======================= q-point: (-0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -9.018 17.485 1.346) 19.720 1.497 ( -8.503 16.087 10.611) 21.064 1.657 ( -3.563 -3.683 -0.501) 5.149 1.739 ( 3.515 10.032 1.746) 10.772 1.823 ( 9.971 2.880 -3.974) 11.114 1.863 ( -2.112 -0.285 -7.024) 7.341 1.958 ( 1.402 -0.411 1.636) 2.194 1.972 ( 2.108 2.864 2.918) 4.601 2.025 ( 1.248 4.265 -2.499) 5.098 2.054 ( 0.410 2.861 -0.917) 3.032 2.064 ( 1.505 0.139 -1.676) 2.257 2.080 ( 0.577 1.663 -2.222) 2.835 2.135 ( -0.374 -3.387 -0.563) 3.454 2.187 ( 0.428 -0.277 -1.735) 1.809 2.233 ( 1.287 3.016 2.467) 4.104 2.273 ( 0.096 4.557 -1.673) 4.856 2.328 ( 1.191 6.006 1.711) 6.358 2.346 ( 0.347 16.536 1.347) 16.595 2.375 ( -1.227 4.224 0.900) 4.490 2.411 ( -0.065 1.399 -0.273) 1.427 2.449 ( 0.582 -2.941 -0.084) 2.999 2.480 ( 1.610 5.509 1.837) 6.026 2.493 ( 1.148 -0.806 0.299) 1.434 2.560 ( -1.836 -4.755 2.872) 5.850 2.582 ( -0.737 5.112 -0.724) 5.215 2.623 ( 1.376 3.950 1.306) 4.382 2.677 ( 1.652 7.192 -3.206) 8.046 2.698 ( 1.754 0.425 1.714) 2.489 2.744 ( -1.285 0.462 1.538) 2.057 2.782 ( 2.054 3.147 -0.194) 3.763 2.799 ( -0.697 1.184 -0.815) 1.597 2.888 ( -2.123 0.332 -4.950) 5.396 2.906 ( 1.859 -2.311 -2.191) 3.687 2.937 ( 3.606 -4.773 -2.066) 6.329 3.025 ( 3.552 -1.731 -5.364) 6.662 3.028 ( 0.753 1.409 1.457) 2.163 3.049 ( -0.702 3.215 0.967) 3.430 3.132 ( -0.424 -2.749 3.345) 4.350 3.149 ( 0.259 -0.022 1.487) 1.509 3.284 ( -1.933 -3.244 3.972) 5.481 3.358 ( 0.272 -3.004 1.845) 3.535 3.381 ( -1.510 -1.813 0.822) 2.498 3.441 ( 2.208 3.332 0.371) 4.015 3.525 ( -0.511 -1.026 3.278) 3.473 3.592 ( -2.689 -1.574 -1.509) 3.462 3.640 ( -1.284 -1.831 -2.251) 3.174 3.739 ( -1.480 1.353 1.175) 2.324 3.798 ( -0.737 -1.181 0.560) 1.500 3.872 ( 1.299 2.382 -0.269) 2.727 3.884 ( 2.703 2.681 -4.054) 5.561 4.049 ( 0.840 -2.414 2.469) 3.554 4.102 ( 5.627 -1.574 -0.638) 5.878 4.368 ( -1.551 0.652 1.495) 2.251 4.422 ( -1.459 0.042 -2.110) 2.565 4.553 ( -4.347 2.405 -1.815) 5.290 4.611 ( -1.885 -0.183 3.257) 3.768 4.640 ( -2.810 3.863 -2.237) 5.275 4.714 ( -1.361 2.367 1.265) 3.009 4.793 ( -2.396 3.350 -1.609) 4.422 4.843 ( 0.927 20.349 -1.364) 20.415 4.905 ( 0.025 8.486 -1.220) 8.573 4.936 ( -2.268 6.700 1.430) 7.216 4.998 ( 1.907 16.164 0.532) 16.285 5.062 ( 1.206 11.327 -1.565) 11.498 5.151 ( 2.365 25.834 0.361) 25.944 5.264 ( -2.998 2.463 0.225) 3.886 5.395 ( 4.253 18.577 2.417) 19.210 5.437 ( -1.505 4.109 0.473) 4.401 5.486 ( -0.065 5.984 1.328) 6.130 5.607 ( -1.565 5.249 -1.212) 5.610 5.751 ( -3.688 -1.084 -1.250) 4.042 5.846 ( -2.926 -1.556 0.628) 3.373 5.896 ( -5.482 -4.632 2.634) 7.645 5.980 ( 1.084 -4.388 2.808) 5.321 6.032 ( -0.954 -5.087 -1.226) 5.319 6.055 ( -0.605 -0.679 3.047) 3.180 6.159 ( 0.058 -3.458 -0.125) 3.461 6.285 ( 2.058 1.942 -2.281) 3.635 6.329 ( 0.493 -2.498 0.953) 2.718 6.421 ( -0.998 -3.193 2.133) 3.968 6.461 ( 3.278 -4.486 0.782) 5.611 6.512 ( -2.402 -6.793 -0.189) 7.208 6.700 ( 1.529 -6.164 -1.011) 6.431 6.755 ( 1.558 -6.357 1.548) 6.725 6.834 ( -5.125 -6.919 -2.998) 9.117 6.912 ( 2.193 -14.484 5.011) 15.482 6.980 ( -5.162 -9.074 1.683) 10.574 7.043 ( -3.260 -12.300 -0.566) 12.737 7.112 ( -2.766 -12.808 -3.076) 13.460 7.163 ( -1.528 -5.876 6.063) 8.580 7.290 ( -1.666 0.173 -2.939) 3.383 7.380 ( 4.488 1.271 -0.709) 4.718 7.431 ( -1.909 -1.583 3.329) 4.152 7.526 ( 3.992 -1.083 -3.554) 5.453 7.593 ( 6.043 -4.236 4.307) 8.545 7.646 ( 4.365 -2.811 3.700) 6.375 7.694 ( -0.406 -0.097 6.101) 6.115 7.714 ( -0.960 0.657 2.173) 2.465 7.824 ( 1.444 2.136 1.775) 3.131 7.856 ( 1.260 -0.524 -3.069) 3.359 7.952 ( -1.238 2.620 1.101) 3.100 8.005 ( 1.835 -1.942 0.143) 2.675 8.042 ( -2.073 2.281 -0.622) 3.145 8.062 ( -1.165 1.576 2.368) 3.074 8.138 ( -5.914 3.264 0.540) 6.776 8.191 ( -5.317 -1.310 0.412) 5.492 8.225 ( -0.466 4.165 0.174) 4.194 8.337 ( 0.627 0.652 -0.239) 0.935 8.400 ( -0.299 1.268 -5.614) 5.764 8.461 ( -1.346 -0.937 1.255) 2.065 8.476 ( 1.040 2.544 -6.017) 6.615 8.534 ( 1.056 -0.750 -0.770) 1.507 8.598 ( 1.255 -0.807 -2.820) 3.190 8.666 ( -2.870 -1.203 -2.861) 4.227 8.733 ( 3.253 0.073 -1.261) 3.490 8.772 ( -2.900 -0.483 -0.332) 2.959 8.867 ( -2.100 -2.494 -0.192) 3.266 8.927 ( 0.563 -1.381 -0.868) 1.726 8.949 ( 0.853 0.336 1.398) 1.672 8.994 ( -1.490 -0.595 -1.449) 2.162 9.080 ( -1.732 4.048 -3.240) 5.467 9.232 ( -2.625 2.282 -1.755) 3.896 9.245 ( -2.447 4.085 -1.138) 4.895 9.324 ( -3.484 10.732 5.193) 12.421 9.411 ( -0.504 2.370 -2.898) 3.778 9.457 ( -4.881 7.505 -1.727) 9.118 9.568 ( 0.508 -0.674 -0.151) 0.858 9.582 ( -2.800 0.849 -0.671) 3.001 9.650 ( -1.053 7.869 0.357) 7.947 9.709 ( 3.902 -2.498 -3.994) 6.116 9.753 ( 3.472 -3.310 -0.135) 4.799 9.873 ( -2.822 7.045 0.271) 7.594 9.960 ( 1.218 4.035 -0.664) 4.267 10.020 ( -0.803 -0.530 4.286) 4.393 10.058 ( 2.603 3.932 0.705) 4.768 10.191 ( -0.721 5.787 2.900) 6.513 10.212 ( 2.206 1.273 1.144) 2.792 10.271 ( -1.082 2.301 4.165) 4.880 10.368 ( 3.372 -1.364 6.942) 7.837 10.511 ( 4.762 -2.530 6.375) 8.350 10.537 ( -0.110 0.337 4.012) 4.027 10.615 ( 1.444 -0.794 -2.859) 3.300 10.698 ( -0.502 4.828 0.150) 4.856 10.764 ( -2.648 5.425 0.068) 6.038 10.777 ( 2.709 0.408 0.459) 2.778 10.846 ( -5.621 5.928 -2.177) 8.454 11.039 ( 2.321 -5.197 -5.381) 7.833 11.102 ( 4.660 -4.964 -3.152) 7.503 11.117 ( 2.174 -4.384 -0.774) 4.954 11.256 ( 5.772 -4.702 -2.837) 7.967 11.308 ( 6.760 -3.271 -5.322) 9.204 11.370 ( 8.141 -5.210 -6.120) 11.440 11.593 ( 5.548 5.838 2.402) 8.404 11.639 ( 4.597 2.497 2.327) 5.726 11.758 ( -2.909 2.542 -2.264) 4.478 11.842 ( 0.740 -0.263 -5.727) 5.781 11.902 ( 5.148 2.597 4.455) 7.287 11.952 ( 4.696 0.538 1.180) 4.871 12.318 ( 6.668 5.539 1.592) 8.813 12.394 ( 12.240 1.698 -1.105) 12.407 12.485 ( -2.022 8.496 4.635) 9.887 12.513 ( 3.186 10.808 1.297) 11.342 12.574 ( -1.126 3.450 -2.411) 4.357 12.674 ( -0.760 -0.474 2.081) 2.265 12.833 ( -0.885 8.078 -2.151) 8.406 12.918 ( -3.360 -5.710 5.395) 8.544 12.974 ( 0.769 -8.936 -4.283) 9.939 13.106 ( -3.091 5.755 2.463) 6.981 13.152 ( 0.118 -4.778 1.404) 4.981 13.211 ( -2.804 9.648 2.471) 10.347 13.235 ( -8.315 -1.140 -2.187) 8.673 13.358 ( -6.074 -1.567 0.938) 6.342 13.408 ( -8.089 7.164 -0.515) 10.818 13.473 ( 3.783 -8.094 -1.708) 9.096 13.693 ( 3.197 -2.536 -0.420) 4.103 13.697 ( 7.507 1.481 -2.446) 8.033 13.747 ( 9.086 -2.539 1.960) 9.636 13.781 ( -2.546 0.262 -1.168) 2.813 13.800 ( -3.660 -5.976 1.727) 7.218 13.945 ( 1.494 0.682 -0.030) 1.643 14.006 ( -4.092 -1.515 -1.775) 4.710 14.067 ( 1.825 5.521 1.976) 6.141 14.277 ( -1.873 -7.883 -3.623) 8.876 14.461 ( 7.222 -10.056 0.405) 12.387 14.877 ( -2.617 2.234 0.474) 3.473 14.939 ( -3.030 0.420 -0.374) 3.081 14.996 ( -4.972 3.096 0.317) 5.866 15.084 ( -3.550 -0.592 -0.448) 3.627 15.525 ( -4.762 -0.018 0.851) 4.837 15.629 ( -7.695 -5.129 -0.265) 9.251 15.746 ( 0.845 -2.269 0.404) 2.455 15.890 ( 2.787 -9.238 -3.383) 10.225 ======================= Grid point 61 (32/55) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.985 -14.827 2.623) 15.090 1.405 ( -0.985 14.827 2.623) 15.090 1.725 ( -1.713 -10.662 3.842) 11.462 1.725 ( -1.713 10.662 3.842) 11.462 1.822 ( -2.956 -1.874 -6.127) 7.056 1.822 ( -2.956 1.874 -6.127) 7.056 1.953 ( -0.278 -8.088 0.453) 8.105 1.953 ( -0.278 8.088 0.453) 8.105 2.053 ( 3.330 -3.342 -2.013) 5.129 2.053 ( 3.330 3.342 -2.013) 5.129 2.132 ( 2.804 -0.831 -0.776) 3.026 2.132 ( 2.804 0.831 -0.776) 3.026 2.251 ( -3.405 -4.083 0.796) 5.375 2.251 ( -3.405 4.083 0.796) 5.375 2.316 ( 0.753 -4.604 -3.677) 5.940 2.316 ( 0.753 4.604 -3.677) 5.940 2.384 ( 1.183 -2.891 3.531) 4.714 2.384 ( 1.183 2.891 3.531) 4.714 2.418 ( 0.450 -2.544 -0.441) 2.621 2.418 ( 0.450 2.544 -0.441) 2.621 2.490 ( 1.039 -4.931 3.254) 5.999 2.490 ( 1.039 4.931 3.254) 5.999 2.545 ( -1.154 -5.434 0.471) 5.575 2.545 ( -1.154 5.434 0.471) 5.575 2.683 ( -1.241 -1.685 2.789) 3.487 2.683 ( -1.241 1.685 2.789) 3.487 2.724 ( 0.330 -5.264 1.006) 5.369 2.724 ( 0.330 5.264 1.006) 5.369 2.794 ( -0.939 -2.476 -1.239) 2.924 2.794 ( -0.939 2.476 -1.239) 2.924 2.839 ( 0.077 -2.602 -0.670) 2.688 2.839 ( 0.077 2.602 -0.670) 2.688 2.958 ( 4.322 -3.541 -3.539) 6.615 2.958 ( 4.322 3.541 -3.539) 6.615 3.024 ( -1.796 -3.494 -1.344) 4.152 3.024 ( -1.796 3.494 -1.344) 4.152 3.074 ( 1.194 -1.546 2.562) 3.222 3.074 ( 1.194 1.546 2.562) 3.222 3.196 ( -0.735 -4.285 2.741) 5.139 3.196 ( -0.735 4.285 2.741) 5.139 3.384 ( 3.316 -2.994 -1.496) 4.711 3.384 ( 3.316 2.994 -1.496) 4.711 3.448 ( -3.568 -3.010 -1.041) 4.782 3.448 ( -3.568 3.010 -1.041) 4.782 3.608 ( 1.586 -1.584 1.633) 2.773 3.608 ( 1.586 1.584 1.633) 2.773 3.743 ( -0.434 -1.341 1.043) 1.754 3.743 ( -0.434 1.341 1.043) 1.754 3.889 ( -2.862 -3.299 -0.989) 4.478 3.889 ( -2.862 3.299 -0.989) 4.478 4.110 ( -0.694 -6.341 -1.086) 6.470 4.110 ( -0.694 6.341 -1.086) 6.470 4.384 ( 2.985 -2.494 0.609) 3.937 4.384 ( 2.985 2.494 0.609) 3.937 4.556 ( -1.787 -4.936 1.937) 5.595 4.556 ( -1.787 4.936 1.937) 5.595 4.648 ( 0.607 -2.576 -0.333) 2.668 4.648 ( 0.607 2.576 -0.333) 2.668 4.798 ( -0.116 -2.681 -1.498) 3.073 4.798 ( -0.116 2.681 -1.498) 3.073 5.056 ( 4.365 -1.230 2.708) 5.282 5.056 ( 4.365 1.230 2.708) 5.282 5.257 ( -2.021 -3.113 0.610) 3.761 5.257 ( -2.021 3.113 0.610) 3.761 5.420 ( 1.447 -6.234 -0.148) 6.401 5.420 ( 1.447 6.234 -0.148) 6.401 5.567 ( -4.498 -11.305 -0.387) 12.173 5.567 ( -4.498 11.305 -0.387) 12.173 5.585 ( 2.800 -14.677 1.139) 14.985 5.585 ( 2.800 14.677 1.139) 14.985 5.798 ( -1.038 -6.349 -1.604) 6.630 5.798 ( -1.038 6.349 -1.604) 6.630 5.929 ( 1.606 -3.705 0.725) 4.103 5.929 ( 1.606 3.705 0.725) 4.103 6.007 ( -1.910 -4.974 3.507) 6.379 6.007 ( -1.910 4.974 3.507) 6.379 6.197 ( 1.387 -11.887 -1.460) 12.056 6.197 ( 1.387 11.887 -1.460) 12.056 6.359 ( -0.860 -1.651 1.694) 2.517 6.359 ( -0.860 1.651 1.694) 2.517 6.424 ( 1.332 -5.877 2.053) 6.366 6.424 ( 1.332 5.877 2.053) 6.366 6.574 ( 0.092 -3.548 -1.301) 3.781 6.574 ( 0.092 3.548 -1.301) 3.781 6.748 ( -1.088 -3.839 -1.239) 4.178 6.748 ( -1.088 3.839 -1.239) 4.178 6.857 ( 0.724 -1.724 2.379) 3.026 6.857 ( 0.724 1.724 2.379) 3.026 6.999 ( -0.176 -3.711 -2.030) 4.233 6.999 ( -0.176 3.711 -2.030) 4.233 7.292 ( -2.937 -4.057 -2.148) 5.449 7.292 ( -2.937 4.057 -2.148) 5.449 7.482 ( -2.224 -3.732 -2.328) 4.929 7.482 ( -2.224 3.732 -2.328) 4.929 7.598 ( -3.506 -1.908 1.397) 4.229 7.598 ( -3.506 1.908 1.397) 4.229 7.709 ( -0.129 -1.246 0.998) 1.602 7.709 ( -0.129 1.246 0.998) 1.602 7.884 ( -1.101 -0.683 2.273) 2.616 7.884 ( -1.101 0.683 2.273) 2.616 7.967 ( -1.701 -2.588 1.105) 3.288 7.967 ( -1.701 2.588 1.105) 3.288 8.046 ( 3.767 -1.075 6.015) 7.178 8.046 ( 3.767 1.075 6.015) 7.178 8.181 ( 0.776 -2.980 -0.371) 3.102 8.181 ( 0.776 2.980 -0.371) 3.102 8.282 ( -4.268 -5.968 -1.318) 7.454 8.282 ( -4.268 5.968 -1.318) 7.454 8.387 ( 0.900 -2.093 -7.243) 7.593 8.387 ( 0.900 2.093 -7.243) 7.593 8.517 ( -0.575 -6.580 -1.378) 6.747 8.517 ( -0.575 6.580 -1.378) 6.747 8.561 ( 1.141 -6.888 -1.571) 7.156 8.561 ( 1.141 6.888 -1.571) 7.156 8.819 ( 4.027 -0.631 0.726) 4.140 8.819 ( 4.027 0.631 0.726) 4.140 8.856 ( 1.287 -3.284 1.857) 3.986 8.856 ( 1.287 3.284 1.857) 3.986 8.984 ( -0.078 -2.814 -1.500) 3.190 8.984 ( -0.078 2.814 -1.500) 3.190 9.177 ( 2.504 -3.739 -2.255) 5.034 9.177 ( 2.504 3.739 -2.255) 5.034 9.340 ( 0.843 -5.393 0.155) 5.461 9.340 ( 0.843 5.393 0.155) 5.461 9.481 ( -1.509 -7.537 2.133) 7.977 9.481 ( -1.509 7.537 2.133) 7.977 9.628 ( 4.566 -3.818 -3.541) 6.926 9.628 ( 4.566 3.818 -3.541) 6.926 9.688 ( -0.728 -0.826 -1.802) 2.112 9.688 ( -0.728 0.826 -1.802) 2.112 9.803 ( 1.662 -9.870 1.585) 10.134 9.803 ( 1.662 9.870 1.585) 10.134 9.987 ( -1.615 -4.722 -1.874) 5.331 9.987 ( -1.615 4.722 -1.874) 5.331 10.206 ( -1.496 -2.761 8.530) 9.089 10.206 ( -1.496 2.761 8.530) 9.089 10.321 ( -1.655 -0.627 12.008) 12.138 10.321 ( -1.655 0.627 12.008) 12.138 10.426 ( -2.317 -5.178 -0.020) 5.673 10.426 ( -2.317 5.178 -0.020) 5.673 10.502 ( -0.094 -2.265 1.278) 2.602 10.502 ( -0.094 2.265 1.278) 2.602 10.784 ( -0.876 -10.178 -5.007) 11.377 10.784 ( -0.876 10.178 -5.007) 11.377 10.899 ( 1.465 -4.519 -4.542) 6.572 10.899 ( 1.465 4.519 -4.542) 6.572 11.037 ( 0.670 -8.780 -5.656) 10.465 11.037 ( 0.670 8.780 -5.656) 10.465 11.120 ( -1.504 -1.470 2.627) 3.365 11.120 ( -1.504 1.470 2.627) 3.365 11.440 ( 3.894 -1.007 -2.304) 4.635 11.440 ( 3.894 1.007 -2.304) 4.635 11.685 ( -2.001 -1.810 -1.134) 2.927 11.685 ( -2.001 1.810 -1.134) 2.927 11.758 ( -0.720 -3.510 -4.628) 5.853 11.758 ( -0.720 3.510 -4.628) 5.853 12.066 ( 4.233 -0.833 6.991) 8.216 12.066 ( 4.233 0.833 6.991) 8.216 12.555 ( -8.844 -7.966 -5.650) 13.176 12.555 ( -8.844 7.966 -5.650) 13.176 12.610 ( 5.713 -4.182 -0.880) 7.135 12.610 ( 5.713 4.182 -0.880) 7.135 12.635 ( -0.651 -1.083 -0.467) 1.348 12.635 ( -0.651 1.083 -0.467) 1.348 12.786 ( -1.839 -14.270 4.766) 15.157 12.786 ( -1.839 14.270 4.766) 15.157 12.972 ( -2.019 -10.125 -0.706) 10.348 12.972 ( -2.019 10.125 -0.706) 10.348 13.163 ( 0.885 -3.664 0.698) 3.833 13.163 ( 0.885 3.664 0.698) 3.833 13.278 ( 1.233 -9.385 -2.367) 9.757 13.278 ( 1.233 9.385 -2.367) 9.757 13.448 ( -1.047 -13.535 1.259) 13.634 13.448 ( -1.047 13.535 1.259) 13.634 13.518 ( 0.054 -7.538 1.211) 7.634 13.518 ( 0.054 7.538 1.211) 7.634 13.807 ( -2.650 -3.373 -4.869) 6.489 13.807 ( -2.650 3.373 -4.869) 6.489 13.845 ( -1.518 -3.911 -2.068) 4.678 13.845 ( -1.518 3.911 -2.068) 4.678 14.206 ( 8.352 -7.695 5.568) 12.648 14.206 ( 8.352 7.695 5.568) 12.648 14.310 ( -1.028 -12.699 0.742) 12.762 14.310 ( -1.028 12.699 0.742) 12.762 14.856 ( -0.327 -0.378 0.095) 0.508 14.856 ( -0.327 0.378 0.095) 0.508 15.004 ( -0.109 -1.889 -0.507) 1.959 15.004 ( -0.109 1.889 -0.507) 1.959 15.498 ( -0.522 -1.558 0.773) 1.816 15.498 ( -0.522 1.558 0.773) 1.816 15.776 ( 0.514 -4.435 -1.270) 4.642 15.776 ( 0.514 4.435 -1.270) 4.642 ======================= Grid point 63 (33/55) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 7.156 -11.041 2.905) 13.474 1.483 ( 7.156 11.041 2.905) 13.474 1.712 ( -1.478 -7.534 1.929) 7.916 1.712 ( -1.478 7.534 1.929) 7.916 1.776 ( 1.179 -3.922 -4.765) 6.283 1.776 ( 1.179 3.922 -4.765) 6.283 1.955 ( -0.130 -7.156 1.226) 7.262 1.955 ( -0.130 7.156 1.226) 7.262 2.049 ( -3.066 -3.401 -1.329) 4.767 2.049 ( -3.066 3.401 -1.329) 4.767 2.111 ( -4.651 -4.235 0.871) 6.350 2.111 ( -4.651 4.235 0.871) 6.350 2.193 ( 0.607 -1.686 -0.945) 2.026 2.193 ( 0.607 1.686 -0.945) 2.026 2.316 ( -0.603 -3.087 -1.880) 3.665 2.316 ( -0.603 3.087 -1.880) 3.665 2.381 ( -1.304 -1.375 0.537) 1.969 2.381 ( -1.304 1.375 0.537) 1.969 2.443 ( -0.827 -2.147 1.228) 2.607 2.443 ( -0.827 2.147 1.228) 2.607 2.506 ( -0.326 -3.312 0.389) 3.351 2.506 ( -0.326 3.312 0.389) 3.351 2.557 ( 2.193 -3.236 2.687) 4.743 2.557 ( 2.193 3.236 2.687) 4.743 2.643 ( -1.510 -4.281 1.838) 4.898 2.643 ( -1.510 4.281 1.838) 4.898 2.733 ( -0.328 -3.068 -0.718) 3.168 2.733 ( -0.328 3.068 -0.718) 3.168 2.763 ( -0.396 -4.816 -2.880) 5.626 2.763 ( -0.396 4.816 -2.880) 5.626 2.853 ( -0.383 -3.799 -0.434) 3.843 2.853 ( -0.383 3.799 -0.434) 3.843 2.954 ( -1.580 -2.156 -1.523) 3.076 2.954 ( -1.580 2.156 -1.523) 3.076 3.010 ( 0.795 -5.751 -0.556) 5.832 3.010 ( 0.795 5.751 -0.556) 5.832 3.116 ( -0.593 -2.692 0.708) 2.846 3.116 ( -0.593 2.692 0.708) 2.846 3.206 ( 0.838 -1.838 4.923) 5.321 3.206 ( 0.838 1.838 4.923) 5.321 3.351 ( -4.090 -3.713 1.726) 5.787 3.351 ( -4.090 3.713 1.726) 5.787 3.434 ( 0.103 -2.605 -3.234) 4.154 3.434 ( 0.103 2.605 -3.234) 4.154 3.632 ( 2.440 -2.899 0.005) 3.790 3.632 ( 2.440 2.899 0.005) 3.790 3.765 ( 0.937 -1.024 -0.464) 1.463 3.765 ( 0.937 1.024 -0.464) 1.463 3.865 ( 1.608 -4.991 0.115) 5.245 3.865 ( 1.608 4.991 0.115) 5.245 4.027 ( -5.291 -4.931 -0.309) 7.239 4.027 ( -5.291 4.931 -0.309) 7.239 4.459 ( -0.030 -4.983 -0.765) 5.042 4.459 ( -0.030 4.983 -0.765) 5.042 4.574 ( 4.849 -4.605 1.575) 6.870 4.574 ( 4.849 4.605 1.575) 6.870 4.696 ( 3.608 -3.642 0.088) 5.127 4.696 ( 3.608 3.642 0.088) 5.127 4.808 ( 1.387 -2.748 -1.491) 3.421 4.808 ( 1.387 2.748 -1.491) 3.421 5.060 ( -4.715 -2.822 1.925) 5.822 5.060 ( -4.715 2.822 1.925) 5.822 5.253 ( 0.635 -2.411 -0.240) 2.505 5.253 ( 0.635 2.411 -0.240) 2.505 5.411 ( -2.968 -3.886 0.227) 4.895 5.411 ( -2.968 3.886 0.227) 4.895 5.591 ( 7.751 -5.693 0.100) 9.618 5.591 ( 7.751 5.693 0.100) 9.618 5.696 ( 5.039 -10.491 2.293) 11.862 5.696 ( 5.039 10.491 2.293) 11.862 5.763 ( -1.599 -9.585 -1.389) 9.816 5.763 ( -1.599 9.585 -1.389) 9.816 5.910 ( -2.280 -8.126 -1.204) 8.525 5.910 ( -2.280 8.126 -1.204) 8.525 5.972 ( -2.883 -3.381 4.533) 6.347 5.972 ( -2.883 3.381 4.533) 6.347 6.210 ( -0.558 -11.783 -0.580) 11.810 6.210 ( -0.558 11.783 -0.580) 11.810 6.356 ( 0.106 -3.085 0.348) 3.106 6.356 ( 0.106 3.085 0.348) 3.106 6.448 ( -0.304 -3.747 1.722) 4.135 6.448 ( -0.304 3.747 1.722) 4.135 6.557 ( -0.754 -6.631 -1.039) 6.754 6.557 ( -0.754 6.631 -1.039) 6.754 6.753 ( 1.325 -4.522 -0.674) 4.760 6.753 ( 1.325 4.522 -0.674) 4.760 6.912 ( 2.975 -4.071 -0.161) 5.045 6.912 ( 2.975 4.071 -0.161) 5.045 7.001 ( 0.843 -0.802 -1.870) 2.202 7.001 ( 0.843 0.802 -1.870) 2.202 7.205 ( -2.047 -2.575 3.718) 4.965 7.205 ( -2.047 2.576 3.718) 4.965 7.439 ( 0.741 -1.646 1.849) 2.584 7.439 ( 0.741 1.646 1.849) 2.584 7.545 ( -2.055 -3.866 0.135) 4.380 7.545 ( -2.055 3.866 0.135) 4.380 7.771 ( 2.826 -3.257 1.526) 4.574 7.771 ( 2.826 3.257 1.526) 4.574 7.864 ( -1.219 -2.227 1.255) 2.832 7.864 ( -1.219 2.227 1.255) 2.832 7.926 ( -1.535 -2.442 -0.648) 2.957 7.926 ( -1.535 2.442 -0.648) 2.957 8.082 ( -6.225 -2.735 1.016) 6.875 8.082 ( -6.225 2.735 1.016) 6.875 8.175 ( 2.895 -2.331 0.072) 3.717 8.175 ( 2.895 2.331 0.072) 3.717 8.258 ( 2.364 -5.397 -0.124) 5.893 8.258 ( 2.364 5.397 -0.124) 5.893 8.374 ( 0.692 -4.921 -3.305) 5.968 8.374 ( 0.692 4.921 -3.305) 5.968 8.527 ( -0.230 -7.130 0.498) 7.151 8.527 ( -0.230 7.130 0.498) 7.151 8.619 ( 5.118 -7.797 -2.323) 9.611 8.619 ( 5.118 7.797 -2.323) 9.611 8.845 ( -1.209 -2.225 -3.320) 4.176 8.845 ( -1.209 2.225 -3.320) 4.176 8.885 ( 0.682 -2.948 0.891) 3.155 8.885 ( 0.682 2.948 0.891) 3.155 9.009 ( 2.554 -2.971 -1.000) 4.044 9.009 ( 2.554 2.971 -1.000) 4.044 9.239 ( 4.290 -4.279 -5.776) 8.372 9.239 ( 4.290 4.279 -5.776) 8.372 9.379 ( 2.248 -3.667 -1.290) 4.490 9.379 ( 2.248 3.667 -1.290) 4.490 9.484 ( 1.321 -7.262 1.442) 7.521 9.484 ( 1.321 7.262 1.442) 7.521 9.648 ( -0.049 -3.090 3.439) 4.623 9.648 ( -0.049 3.090 3.439) 4.623 9.736 ( 4.040 -4.550 -5.481) 8.189 9.736 ( 4.040 4.550 -5.481) 8.189 9.881 ( -3.069 -0.762 3.108) 4.433 9.881 ( -3.069 0.762 3.108) 4.433 9.925 ( 3.794 -7.913 2.827) 9.220 9.925 ( 3.794 7.913 2.827) 9.220 10.167 ( -8.950 -5.063 10.239) 14.511 10.167 ( -8.950 5.063 10.239) 14.511 10.316 ( 1.243 -2.512 1.263) 3.075 10.316 ( 1.243 2.512 1.263) 3.075 10.377 ( -3.136 -2.390 7.536) 8.505 10.377 ( -3.136 2.390 7.536) 8.505 10.526 ( 1.420 -7.416 -1.162) 7.639 10.526 ( 1.420 7.416 -1.162) 7.639 10.763 ( 0.237 -10.133 -4.783) 11.207 10.763 ( 0.237 10.133 -4.783) 11.207 10.864 ( -5.693 -10.903 -6.468) 13.897 10.864 ( -5.693 10.903 -6.468) 13.897 10.980 ( 0.108 -7.243 -2.469) 7.653 10.980 ( 0.108 7.243 -2.469) 7.653 11.070 ( -3.162 -4.331 -0.455) 5.382 11.070 ( -3.162 4.331 -0.455) 5.382 11.420 ( -4.520 -3.044 -2.617) 6.046 11.420 ( -4.520 3.044 -2.617) 6.046 11.585 ( -3.906 -0.789 -0.731) 4.051 11.585 ( -3.906 0.789 -0.731) 4.051 11.757 ( 1.857 -1.722 -2.586) 3.620 11.757 ( 1.857 1.722 -2.586) 3.620 12.096 ( -7.859 -1.750 5.442) 9.718 12.096 ( -7.859 1.750 5.442) 9.718 12.300 ( -6.996 -2.733 -3.284) 8.197 12.300 ( -6.996 2.733 -3.284) 8.197 12.618 ( -0.531 -3.016 0.125) 3.065 12.618 ( -0.531 3.016 0.125) 3.065 12.632 ( 0.206 -7.935 0.691) 7.968 12.632 ( 0.206 7.935 0.691) 7.968 12.828 ( 1.298 -13.579 3.926) 14.194 12.828 ( 1.298 13.579 3.926) 14.194 12.961 ( 1.832 -8.663 -1.464) 8.974 12.961 ( 1.832 8.663 -1.464) 8.974 13.265 ( 1.964 -4.664 -1.500) 5.278 13.265 ( 1.964 4.664 -1.500) 5.278 13.278 ( 5.204 -3.705 0.887) 6.449 13.278 ( 5.204 3.705 0.887) 6.449 13.491 ( 2.753 -13.356 0.641) 13.652 13.491 ( 2.753 13.356 0.641) 13.652 13.570 ( 1.323 -8.538 -1.189) 8.721 13.570 ( 1.323 8.538 -1.189) 8.721 13.718 ( -0.424 -2.103 0.656) 2.244 13.718 ( -0.424 2.103 0.656) 2.244 13.821 ( -0.284 -3.910 -1.696) 4.271 13.821 ( -0.284 3.910 -1.696) 4.271 14.209 ( -5.575 -10.742 -0.985) 12.142 14.209 ( -5.575 10.742 -0.985) 12.142 14.295 ( -4.082 -8.759 1.913) 9.851 14.295 ( -4.082 8.759 1.913) 9.851 14.924 ( 4.339 -2.302 0.442) 4.931 14.924 ( 4.339 2.302 0.442) 4.931 15.058 ( 5.119 -2.888 -0.328) 5.886 15.058 ( 5.119 2.888 -0.328) 5.886 15.545 ( 4.358 -1.888 0.287) 4.758 15.545 ( 4.358 1.888 0.287) 4.758 15.766 ( -1.065 -4.498 -1.334) 4.811 15.766 ( -1.065 4.498 -1.334) 4.811 ======================= Grid point 65 (34/55) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -3.883 -8.026 2.030) 9.144 1.603 ( -3.883 8.026 2.030) 9.144 1.707 ( 4.999 -1.555 1.485) 5.442 1.707 ( 4.999 1.555 1.485) 5.442 1.827 ( 5.158 -3.437 -3.933) 7.341 1.827 ( 5.158 3.437 -3.933) 7.341 1.935 ( -1.954 -11.598 2.947) 12.125 1.935 ( -1.954 11.598 2.947) 12.125 2.001 ( -1.495 -3.585 0.531) 3.920 2.001 ( -1.495 3.585 0.531) 3.920 2.065 ( 0.906 -3.093 4.424) 5.473 2.065 ( 0.906 3.093 4.424) 5.473 2.172 ( -2.901 -2.171 -2.382) 4.336 2.172 ( -2.901 2.171 -2.382) 4.336 2.299 ( 1.060 -4.325 -2.674) 5.194 2.299 ( 1.060 4.325 -2.674) 5.194 2.359 ( -0.302 -1.441 -0.795) 1.673 2.359 ( -0.302 1.441 -0.795) 1.673 2.444 ( 0.215 -2.185 2.010) 2.977 2.444 ( 0.215 2.185 2.010) 2.977 2.484 ( -1.075 -0.779 -1.221) 1.803 2.484 ( -1.075 0.779 -1.221) 1.803 2.561 ( -1.075 -4.686 -1.098) 4.931 2.561 ( -1.075 4.686 -1.098) 4.931 2.667 ( 0.969 -7.083 0.625) 7.176 2.667 ( 0.969 7.083 0.625) 7.176 2.729 ( 0.238 -2.694 -1.512) 3.098 2.729 ( 0.238 2.694 -1.512) 3.098 2.765 ( 1.832 -5.319 -2.347) 6.095 2.765 ( 1.832 5.319 -2.347) 6.095 2.804 ( -2.388 -2.065 0.944) 3.295 2.804 ( -2.388 2.065 0.944) 3.295 2.927 ( -0.207 -4.213 -4.199) 5.952 2.927 ( -0.207 4.213 -4.199) 5.952 3.018 ( -0.903 -6.755 2.032) 7.112 3.018 ( -0.903 6.755 2.032) 7.112 3.088 ( -0.628 -3.436 2.610) 4.360 3.088 ( -0.628 3.436 2.610) 4.360 3.217 ( -2.173 -4.505 0.854) 5.074 3.217 ( -2.173 4.505 0.854) 5.074 3.319 ( 0.434 -2.580 3.270) 4.188 3.319 ( 0.434 2.580 3.270) 4.188 3.440 ( 2.238 -1.332 0.300) 2.622 3.440 ( 2.238 1.332 0.300) 2.622 3.689 ( -0.575 -0.388 -1.416) 1.577 3.689 ( -0.575 0.388 -1.416) 1.577 3.779 ( 0.871 -1.742 -0.859) 2.128 3.779 ( 0.871 1.742 -0.859) 2.128 3.849 ( -0.508 -1.914 -1.778) 2.662 3.849 ( -0.508 1.914 -1.778) 2.662 3.998 ( 1.773 -2.576 1.959) 3.690 3.998 ( 1.773 2.576 1.959) 3.690 4.427 ( -1.200 -4.193 -1.615) 4.651 4.427 ( -1.200 4.193 -1.615) 4.651 4.629 ( -0.854 -1.967 -0.515) 2.205 4.629 ( -0.854 1.967 -0.515) 2.205 4.761 ( -0.139 -1.078 0.998) 1.476 4.761 ( -0.139 1.078 0.998) 1.476 4.856 ( 4.284 -4.105 -0.422) 5.948 4.856 ( 4.284 4.105 -0.422) 5.948 4.950 ( -5.566 -4.510 -0.520) 7.183 4.950 ( -5.566 4.510 -0.520) 7.183 5.255 ( 0.578 -2.583 -0.519) 2.697 5.255 ( 0.578 2.583 -0.519) 2.697 5.382 ( -0.001 -6.510 1.497) 6.680 5.382 ( -0.001 6.510 1.497) 6.680 5.630 ( -4.232 -13.734 -3.851) 14.878 5.630 ( -4.232 13.734 -3.851) 14.878 5.761 ( 5.314 -8.206 0.301) 9.781 5.761 ( 5.314 8.206 0.301) 9.781 5.812 ( -1.810 -14.040 1.566) 14.243 5.812 ( -1.810 14.040 1.566) 14.243 5.861 ( -0.343 -6.705 2.030) 7.014 5.861 ( -0.343 6.705 2.030) 7.014 5.939 ( -0.685 -3.232 2.482) 4.132 5.939 ( -0.685 3.232 2.482) 4.132 6.190 ( -0.526 -7.650 -0.495) 7.684 6.190 ( -0.526 7.650 -0.495) 7.684 6.346 ( -0.586 -2.471 0.012) 2.539 6.346 ( -0.586 2.471 0.012) 2.539 6.466 ( 1.044 -5.685 0.256) 5.786 6.466 ( 1.044 5.685 0.256) 5.786 6.539 ( -0.386 -10.486 -0.607) 10.511 6.539 ( -0.386 10.486 -0.607) 10.511 6.774 ( 0.765 -3.938 0.820) 4.095 6.774 ( 0.765 3.938 0.820) 4.095 6.936 ( -0.888 -5.166 -1.628) 5.489 6.936 ( -0.888 5.166 -1.628) 5.489 7.049 ( 3.159 -2.575 3.773) 5.554 7.049 ( 3.159 2.575 3.773) 5.554 7.258 ( 2.038 -4.321 9.021) 10.208 7.258 ( 2.038 4.321 9.021) 10.208 7.411 ( -2.942 -5.652 1.538) 6.555 7.411 ( -2.942 5.652 1.538) 6.555 7.586 ( 1.818 -3.488 -1.111) 4.088 7.586 ( 1.818 3.488 -1.111) 4.088 7.728 ( -3.185 -5.857 -3.867) 7.708 7.728 ( -3.185 5.857 -3.867) 7.708 7.835 ( -0.521 -3.924 3.263) 5.130 7.835 ( -0.521 3.924 3.263) 5.130 7.958 ( 1.648 -0.747 1.987) 2.687 7.958 ( 1.648 0.747 1.987) 2.687 8.019 ( 1.603 -1.389 0.964) 2.330 8.019 ( 1.603 1.389 0.964) 2.330 8.234 ( 0.401 -2.645 1.490) 3.062 8.234 ( 0.401 2.645 1.490) 3.062 8.302 ( 2.938 -5.660 0.000) 6.377 8.302 ( 2.938 5.660 0.000) 6.377 8.406 ( 3.416 -5.876 -1.193) 6.901 8.406 ( 3.416 5.876 -1.193) 6.901 8.497 ( -2.552 -5.994 0.550) 6.538 8.497 ( -2.552 5.994 0.550) 6.538 8.703 ( 1.806 -6.599 -2.873) 7.420 8.703 ( 1.806 6.599 -2.873) 7.420 8.786 ( -1.977 -1.574 -3.252) 4.119 8.786 ( -1.977 1.574 -3.252) 4.119 8.894 ( 0.370 -1.798 -1.483) 2.360 8.894 ( 0.370 1.798 -1.483) 2.360 9.009 ( -1.810 -6.151 -4.369) 7.759 9.009 ( -1.810 6.151 -4.369) 7.759 9.248 ( -0.444 -7.184 -10.390) 12.639 9.248 ( -0.444 7.184 -10.390) 12.639 9.386 ( -0.681 -3.984 -1.663) 4.371 9.386 ( -0.681 3.984 -1.663) 4.371 9.494 ( -0.691 -5.732 1.810) 6.050 9.494 ( -0.691 5.732 1.810) 6.050 9.637 ( -2.914 -1.011 -1.587) 3.468 9.637 ( -2.914 1.011 -1.587) 3.468 9.756 ( -2.704 -2.561 4.009) 5.472 9.756 ( -2.704 2.561 4.009) 5.472 9.864 ( 2.934 -6.485 2.432) 7.522 9.864 ( 2.934 6.485 2.432) 7.522 9.984 ( -5.216 -0.279 2.794) 5.924 9.984 ( -5.216 0.279 2.794) 5.924 10.071 ( -0.343 -3.649 6.571) 7.524 10.071 ( -0.343 3.649 6.571) 7.524 10.310 ( 1.496 -2.188 8.274) 8.688 10.310 ( 1.496 2.188 8.274) 8.688 10.431 ( -0.089 -2.545 2.425) 3.516 10.431 ( -0.089 2.545 2.425) 3.516 10.520 ( -1.581 -11.349 -5.877) 12.878 10.520 ( -1.581 11.349 -5.877) 12.878 10.705 ( 4.333 -5.005 -1.227) 6.733 10.705 ( 4.333 5.005 -1.227) 6.733 10.832 ( 2.321 -5.747 2.035) 6.524 10.832 ( 2.321 5.747 2.035) 6.524 11.001 ( 0.618 -2.221 -2.667) 3.525 11.001 ( 0.618 2.221 -2.667) 3.525 11.036 ( 2.628 -0.403 -4.645) 5.352 11.036 ( 2.628 0.403 -4.645) 5.352 11.299 ( -3.191 -4.713 -7.552) 9.456 11.299 ( -3.191 4.713 -7.552) 9.456 11.581 ( 2.125 -1.730 3.356) 4.333 11.581 ( 2.125 1.730 3.356) 4.333 11.807 ( 4.635 -0.318 -2.219) 5.149 11.807 ( 4.635 0.318 -2.219) 5.149 11.922 ( -6.929 -0.740 1.254) 7.080 11.922 ( -6.929 0.740 1.254) 7.080 12.249 ( 0.948 -1.162 1.059) 1.836 12.249 ( 0.948 1.162 1.059) 1.836 12.605 ( -0.084 -4.152 0.217) 4.158 12.605 ( -0.084 4.152 0.217) 4.158 12.678 ( 2.238 -6.735 2.695) 7.592 12.678 ( 2.238 6.735 2.695) 7.592 12.822 ( -2.902 -13.726 1.910) 14.158 12.822 ( -2.902 13.726 1.910) 14.158 13.006 ( 2.030 -7.967 -0.604) 8.244 13.006 ( 2.030 7.967 -0.604) 8.244 13.255 ( -0.224 -7.285 1.379) 7.417 13.255 ( -0.224 7.285 1.379) 7.417 13.421 ( -4.932 -2.342 -1.895) 5.780 13.421 ( -4.932 2.342 -1.895) 5.780 13.476 ( 6.767 -2.767 1.436) 7.451 13.476 ( 6.767 2.767 1.436) 7.451 13.563 ( 0.259 -7.060 -0.932) 7.126 13.563 ( 0.259 7.060 -0.932) 7.126 13.770 ( -4.057 -5.870 0.387) 7.146 13.770 ( -4.057 5.870 0.387) 7.146 13.831 ( 4.995 -4.783 0.885) 6.972 13.831 ( 4.995 4.783 0.885) 6.972 14.110 ( -2.359 -4.901 -3.141) 6.281 14.110 ( -2.359 4.901 -3.141) 6.281 14.211 ( -1.171 -2.271 0.301) 2.573 14.211 ( -1.171 2.271 0.301) 2.573 14.967 ( -0.264 -2.195 0.456) 2.257 14.967 ( -0.264 2.195 0.456) 2.257 15.121 ( -0.349 -0.780 -0.635) 1.064 15.121 ( -0.349 0.780 -0.635) 1.064 15.619 ( 0.401 -3.086 -0.100) 3.114 15.619 ( 0.401 3.086 -0.100) 3.114 15.734 ( 0.051 -0.838 -1.518) 1.735 15.734 ( 0.051 0.838 -1.518) 1.735 ======================= Grid point 67 (35/55) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -6.378 -14.071 1.833) 15.557 1.478 ( -6.378 14.071 1.833) 15.557 1.756 ( -2.548 -10.089 4.472) 11.326 1.756 ( -2.548 10.089 4.472) 11.326 1.901 ( 0.767 -2.822 -2.183) 3.649 1.901 ( 0.767 2.822 -2.183) 3.649 1.948 ( 1.578 -8.897 -0.066) 9.036 1.948 ( 1.578 8.897 -0.066) 9.036 1.977 ( 1.891 -2.272 -3.025) 4.229 1.977 ( 1.891 2.272 -3.025) 4.229 2.090 ( -0.679 -0.730 -0.520) 1.125 2.090 ( -0.679 0.730 -0.520) 1.125 2.195 ( 6.012 -4.154 2.776) 7.817 2.195 ( 6.012 4.154 2.776) 7.817 2.326 ( 1.820 -4.985 -2.258) 5.767 2.326 ( 1.820 4.985 -2.258) 5.767 2.358 ( 0.133 -1.892 -0.156) 1.903 2.358 ( 0.133 1.892 -0.156) 1.903 2.438 ( -1.341 -1.840 -0.460) 2.323 2.438 ( -1.341 1.840 -0.460) 2.323 2.464 ( -0.499 -2.156 2.161) 3.093 2.464 ( -0.499 2.156 2.161) 3.093 2.555 ( 0.328 -5.545 -0.505) 5.578 2.555 ( 0.328 5.545 -0.505) 5.578 2.674 ( 0.194 -2.831 0.600) 2.900 2.674 ( 0.194 2.831 0.600) 2.900 2.715 ( -0.454 -3.965 -0.306) 4.003 2.715 ( -0.454 3.965 -0.306) 4.003 2.775 ( 1.962 -6.026 1.075) 6.428 2.775 ( 1.962 6.026 1.075) 6.428 2.860 ( 4.449 -0.963 -2.389) 5.141 2.860 ( 4.449 0.963 -2.389) 5.141 2.890 ( -1.129 -2.551 -3.733) 4.660 2.890 ( -1.129 2.551 -3.733) 4.660 3.020 ( 0.544 -6.055 1.164) 6.190 3.020 ( 0.544 6.055 1.164) 6.190 3.094 ( -1.166 -2.165 1.577) 2.921 3.094 ( -1.166 2.165 1.577) 2.921 3.188 ( -0.428 -4.927 1.969) 5.323 3.188 ( -0.428 4.927 1.969) 5.323 3.341 ( 0.649 -1.415 0.252) 1.577 3.341 ( 0.649 1.415 0.252) 1.577 3.495 ( 1.188 -2.194 1.915) 3.145 3.495 ( 1.188 2.194 1.915) 3.145 3.602 ( -3.524 -1.926 -1.934) 4.457 3.602 ( -3.524 1.926 -1.934) 4.457 3.766 ( -1.412 -1.721 1.039) 2.457 3.766 ( -1.412 1.721 1.039) 2.457 3.902 ( 2.683 -1.081 -1.087) 3.090 3.902 ( 2.683 1.081 -1.087) 3.090 4.059 ( 3.804 -2.666 0.049) 4.646 4.059 ( 3.804 2.666 0.049) 4.646 4.396 ( -1.697 -2.016 -1.242) 2.913 4.396 ( -1.697 2.016 -1.242) 2.913 4.583 ( -2.534 -1.774 1.897) 3.629 4.583 ( -2.534 1.774 1.897) 3.629 4.695 ( -4.440 -2.306 -0.517) 5.029 4.695 ( -4.440 2.306 -0.517) 5.029 4.839 ( -3.395 -3.504 -0.896) 4.961 4.839 ( -3.395 3.504 -0.896) 4.961 4.955 ( 4.365 -3.337 -0.421) 5.511 4.955 ( 4.365 3.337 -0.421) 5.511 5.279 ( 0.434 -1.530 0.996) 1.876 5.279 ( 0.434 1.530 0.996) 1.876 5.397 ( 0.798 -6.597 0.350) 6.654 5.397 ( 0.798 6.597 0.350) 6.654 5.566 ( -0.751 -18.248 -1.460) 18.322 5.566 ( -0.751 18.248 -1.460) 18.322 5.696 ( -7.320 -15.405 1.858) 17.156 5.696 ( -7.320 15.405 1.858) 17.156 5.823 ( 0.687 -10.377 -1.971) 10.585 5.823 ( 0.687 10.377 -1.971) 10.585 5.867 ( 1.238 -1.929 2.067) 3.086 5.867 ( 1.238 1.929 2.067) 3.086 5.989 ( 2.029 -9.405 3.065) 10.097 5.989 ( 2.029 9.405 3.065) 10.097 6.193 ( 0.548 -9.702 -1.146) 9.785 6.193 ( 0.548 9.702 -1.146) 9.785 6.345 ( 0.756 -4.545 -0.062) 4.608 6.345 ( 0.756 4.545 -0.062) 4.608 6.440 ( -3.048 -7.305 1.611) 8.078 6.440 ( -3.048 7.305 1.611) 8.078 6.557 ( 1.862 -5.392 -1.388) 5.871 6.557 ( 1.862 5.392 -1.388) 5.871 6.783 ( -0.667 -2.009 0.113) 2.119 6.783 ( -0.667 2.009 0.113) 2.119 6.878 ( -3.430 -2.874 1.063) 4.599 6.878 ( -3.430 2.874 1.063) 4.599 7.038 ( -3.088 -4.960 -0.080) 5.843 7.038 ( -3.088 4.960 -0.080) 5.843 7.347 ( -2.815 -4.504 1.190) 5.443 7.347 ( -2.815 4.504 1.190) 5.443 7.437 ( 7.242 -4.522 2.708) 8.957 7.437 ( 7.242 4.522 2.708) 8.957 7.608 ( 2.782 -2.807 1.970) 4.415 7.608 ( 2.782 2.807 1.970) 4.415 7.696 ( -0.065 -0.849 3.237) 3.347 7.696 ( -0.065 0.849 3.237) 3.347 7.833 ( -0.088 -0.468 1.005) 1.112 7.833 ( -0.088 0.468 1.005) 1.112 7.981 ( 0.133 -1.496 1.291) 1.981 7.981 ( 0.133 1.496 1.291) 1.981 8.066 ( -1.581 -0.549 1.994) 2.603 8.066 ( -1.581 0.549 1.994) 2.603 8.191 ( -2.931 -1.500 0.206) 3.298 8.191 ( -2.931 1.500 0.206) 3.298 8.336 ( -1.311 -6.277 1.995) 6.716 8.336 ( -1.311 6.277 1.995) 6.716 8.443 ( -1.433 -2.379 -4.501) 5.289 8.443 ( -1.433 2.379 -4.501) 5.289 8.516 ( 4.742 -4.988 -3.919) 7.920 8.516 ( 4.742 4.988 -3.919) 7.920 8.624 ( -5.511 -4.629 -5.154) 8.852 8.624 ( -5.511 4.629 -5.154) 8.852 8.740 ( -0.272 -2.217 1.444) 2.660 8.740 ( -0.272 2.217 1.444) 2.660 8.868 ( -1.983 -3.530 -2.319) 4.666 8.868 ( -1.983 3.530 -2.319) 4.666 8.971 ( 1.744 -1.581 -2.727) 3.602 8.971 ( 1.744 1.581 -2.727) 3.602 9.173 ( -1.003 -4.912 -4.827) 6.959 9.173 ( -1.003 4.912 -4.827) 6.959 9.359 ( -2.112 -4.971 -0.119) 5.403 9.359 ( -2.112 4.971 -0.119) 5.403 9.487 ( -0.515 -4.771 2.569) 5.443 9.487 ( -0.515 4.771 2.569) 5.443 9.604 ( -0.152 -4.386 -2.527) 5.064 9.604 ( -0.152 4.386 -2.527) 5.064 9.698 ( -1.546 -4.682 1.596) 5.183 9.698 ( -1.546 4.682 1.596) 5.183 9.843 ( -4.673 -10.311 1.350) 11.400 9.843 ( -4.673 10.311 1.350) 11.400 9.972 ( 2.667 -2.781 -0.734) 3.923 9.972 ( 2.667 2.781 -0.734) 3.923 10.152 ( 4.206 -5.856 6.361) 9.614 10.152 ( 4.206 5.856 6.361) 9.614 10.311 ( -4.463 -3.692 8.292) 10.115 10.311 ( -4.463 3.692 8.292) 10.115 10.439 ( 0.355 -5.962 1.512) 6.161 10.439 ( 0.355 5.962 1.512) 6.161 10.504 ( 0.622 -2.674 0.776) 2.853 10.504 ( 0.622 2.674 0.776) 2.853 10.805 ( 2.407 -0.211 -3.949) 4.630 10.805 ( 2.407 0.211 -3.949) 4.630 10.902 ( 1.411 -5.827 -0.900) 6.063 10.902 ( 1.411 5.827 -0.900) 6.063 10.989 ( 2.696 -7.488 -4.184) 8.991 10.989 ( 2.696 7.488 -4.184) 8.991 11.121 ( 1.997 -6.162 1.139) 6.577 11.121 ( 1.997 6.162 1.139) 6.577 11.299 ( 8.801 -2.153 -7.397) 11.696 11.299 ( 8.801 2.153 -7.397) 11.696 11.660 ( 3.286 -0.930 1.744) 3.835 11.660 ( 3.286 0.930 1.744) 3.835 11.807 ( -2.038 -2.539 -4.420) 5.490 11.807 ( -2.038 2.539 -4.420) 5.490 11.947 ( 5.415 -1.438 3.012) 6.361 11.947 ( 5.415 1.438 3.012) 6.361 12.381 ( 11.798 -2.048 0.388) 11.981 12.381 ( 11.798 2.048 0.388) 11.981 12.619 ( 0.955 -1.350 0.250) 1.672 12.619 ( 0.955 1.350 0.250) 1.672 12.702 ( -3.643 -9.602 2.905) 10.672 12.702 ( -3.643 9.602 2.905) 10.672 12.781 ( 0.760 -8.335 0.948) 8.423 12.781 ( 0.760 8.335 0.948) 8.423 13.009 ( -1.573 -8.880 0.750) 9.049 13.009 ( -1.573 8.880 0.750) 9.049 13.245 ( -5.407 -3.275 -0.228) 6.326 13.245 ( -5.407 3.275 -0.228) 6.326 13.273 ( -1.820 -6.440 -1.176) 6.795 13.273 ( -1.820 6.440 -1.176) 6.795 13.495 ( -3.171 -12.799 0.482) 13.195 13.495 ( -3.171 12.799 0.482) 13.195 13.612 ( -6.269 -9.652 1.128) 11.564 13.612 ( -6.269 9.652 1.128) 11.564 13.743 ( 9.241 -0.315 -0.720) 9.274 13.743 ( 9.241 0.315 -0.720) 9.274 13.856 ( -0.914 -5.582 -0.489) 5.677 13.856 ( -0.914 5.582 -0.489) 5.677 14.110 ( 1.250 -7.025 -2.776) 7.656 14.110 ( 1.250 7.025 -2.776) 7.656 14.258 ( 4.210 -10.396 0.935) 11.255 14.258 ( 4.210 10.396 0.935) 11.255 14.918 ( -4.219 -1.956 0.302) 4.660 14.918 ( -4.219 1.956 0.302) 4.660 15.057 ( -4.133 -2.551 -0.352) 4.870 15.057 ( -4.133 2.551 -0.352) 4.870 15.554 ( -4.538 -2.906 0.552) 5.417 15.554 ( -4.538 2.906 0.552) 5.417 15.760 ( 1.730 -4.066 -1.518) 4.672 15.760 ( 1.730 4.066 -1.518) 4.672 ======================= Grid point 81 (36/55) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 2.543 0.000 21.634) 21.783 0.866 ( -2.317 0.000 21.149) 21.275 1.090 ( -4.398 0.000 11.685) 12.485 1.218 ( 2.640 0.000 -16.574) 16.783 1.226 ( -3.956 0.000 -18.949) 19.357 1.327 ( 3.926 0.000 -13.806) 14.353 1.577 ( -3.716 0.000 27.540) 27.789 1.662 ( -0.952 0.000 14.143) 14.175 1.840 ( 9.266 0.000 -8.794) 12.774 1.905 ( 5.238 0.000 -10.375) 11.622 1.982 ( -1.271 0.000 5.261) 5.413 2.046 ( -6.609 0.000 -2.380) 7.025 2.056 ( 0.180 0.000 -2.567) 2.574 2.083 ( 0.289 0.000 0.681) 0.740 2.087 ( 0.771 0.000 -1.410) 1.607 2.139 ( -0.548 0.000 3.500) 3.543 2.144 ( -0.740 0.000 -3.536) 3.613 2.188 ( 0.276 0.000 0.681) 0.735 2.197 ( 1.005 0.000 -1.875) 2.127 2.207 ( 0.331 0.000 -1.855) 1.884 2.294 ( -1.450 0.000 0.825) 1.668 2.360 ( 1.067 0.000 0.997) 1.460 2.386 ( 1.564 0.000 -0.493) 1.640 2.430 ( 0.098 0.000 -9.352) 9.352 2.535 ( 3.725 0.000 4.865) 6.128 2.629 ( -2.628 0.000 -4.331) 5.066 2.715 ( 0.184 0.000 0.020) 0.185 2.733 ( -0.066 0.000 -1.775) 1.777 2.743 ( 0.076 0.000 -0.183) 0.198 2.748 ( -0.044 0.000 -0.499) 0.501 2.846 ( -3.164 0.000 2.532) 4.052 2.921 ( -1.299 0.000 -3.629) 3.855 2.932 ( -7.541 0.000 4.104) 8.586 2.993 ( 7.351 0.000 -2.379) 7.726 2.994 ( 0.477 0.000 4.111) 4.139 3.079 ( -1.620 0.000 0.181) 1.630 3.102 ( -0.695 0.000 -4.801) 4.851 3.122 ( 3.455 0.000 -5.900) 6.837 3.180 ( -1.279 0.000 2.975) 3.238 3.200 ( 2.407 0.000 0.825) 2.545 3.275 ( -2.337 0.000 -0.464) 2.383 3.275 ( 2.987 0.000 -0.017) 2.987 3.309 ( -1.979 0.000 -0.369) 2.013 3.320 ( 5.414 0.000 -1.595) 5.644 3.347 ( -3.601 0.000 -0.557) 3.644 3.374 ( 1.854 0.000 -1.860) 2.626 3.473 ( -0.745 0.000 6.454) 6.497 3.568 ( -2.258 0.000 -0.640) 2.347 3.629 ( -6.526 0.000 5.189) 8.337 3.703 ( 3.981 0.000 1.147) 4.143 3.744 ( 0.316 0.000 -3.838) 3.850 3.791 ( -1.625 0.000 -3.011) 3.421 4.022 ( -1.390 0.000 3.090) 3.388 4.055 ( 0.669 0.000 0.696) 0.965 4.326 ( 3.551 0.000 1.888) 4.022 4.338 ( 0.583 0.000 0.324) 0.667 4.440 ( 7.622 0.000 7.523) 10.709 4.563 ( 3.920 0.000 2.794) 4.814 4.563 ( -4.304 0.000 -3.330) 5.442 4.615 ( -4.190 0.000 -2.851) 5.067 4.760 ( 4.112 0.000 -1.042) 4.242 4.783 ( -9.194 0.000 -4.271) 10.137 4.905 ( -7.526 0.000 0.992) 7.591 4.978 ( 5.569 0.000 -6.904) 8.870 5.171 ( 0.464 0.000 1.812) 1.870 5.184 ( 2.011 0.000 -0.865) 2.189 5.310 ( -6.102 0.000 -0.633) 6.135 5.320 ( 3.454 0.000 -0.289) 3.466 5.543 ( -3.026 0.000 3.528) 4.648 5.638 ( 1.670 0.000 -6.464) 6.676 5.807 ( 2.830 0.000 4.196) 5.061 5.834 ( 0.734 0.000 3.363) 3.442 5.956 ( -0.175 0.000 1.074) 1.088 6.003 ( -1.956 0.000 -4.777) 5.162 6.163 ( 0.312 0.000 1.856) 1.883 6.203 ( -0.114 0.000 -1.840) 1.844 6.334 ( -0.130 0.000 6.882) 6.883 6.410 ( 2.110 0.000 0.950) 2.314 6.445 ( -3.807 0.000 -0.310) 3.819 6.451 ( -1.196 0.000 -1.830) 2.187 6.578 ( -2.428 0.000 -0.335) 2.451 6.583 ( 3.027 0.000 -0.558) 3.078 6.676 ( -0.622 0.000 -1.306) 1.446 6.699 ( -4.439 0.000 -1.057) 4.563 6.816 ( 1.421 0.000 0.367) 1.468 6.824 ( -0.807 0.000 -1.627) 1.816 7.158 ( -3.704 0.000 2.001) 4.210 7.169 ( 1.630 0.000 6.803) 6.995 7.180 ( 5.714 0.000 0.032) 5.714 7.230 ( -1.620 0.000 3.007) 3.416 7.320 ( 0.328 0.000 -3.445) 3.460 7.357 ( 0.953 0.000 -4.964) 5.055 7.456 ( -1.475 0.000 1.394) 2.029 7.459 ( -1.060 0.000 -0.131) 1.068 7.562 ( -1.627 0.000 6.686) 6.881 7.671 ( 2.082 0.000 1.852) 2.786 7.698 ( 2.008 0.000 -7.214) 7.488 7.719 ( -1.458 0.000 -3.243) 3.556 7.774 ( -0.287 0.000 0.943) 0.986 7.787 ( 2.620 0.000 0.264) 2.633 8.013 ( 0.728 0.000 -1.760) 1.905 8.017 ( -0.101 0.000 0.335) 0.350 8.057 ( 3.925 0.000 0.345) 3.940 8.117 ( -0.627 0.000 -1.719) 1.829 8.201 ( 3.561 0.000 3.268) 4.833 8.236 ( -2.429 0.000 0.261) 2.443 8.401 ( 1.294 0.000 0.658) 1.452 8.444 ( -4.951 0.000 -3.345) 5.975 8.498 ( 2.256 0.000 -0.269) 2.272 8.499 ( -1.083 0.000 -0.425) 1.163 8.559 ( -1.341 0.000 5.032) 5.207 8.623 ( 0.094 0.000 -0.464) 0.473 8.642 ( 2.587 0.000 2.650) 3.704 8.662 ( -1.099 0.000 0.965) 1.463 8.725 ( 0.898 0.000 -2.782) 2.923 8.735 ( -2.519 0.000 -2.156) 3.316 8.837 ( -1.202 0.000 -0.871) 1.484 8.839 ( 0.568 0.000 -2.000) 2.079 8.863 ( -0.960 0.000 7.910) 7.968 8.907 ( 2.162 0.000 2.865) 3.589 9.008 ( -0.723 0.000 3.675) 3.746 9.053 ( 0.512 0.000 -3.873) 3.906 9.121 ( 2.910 0.000 11.201) 11.573 9.258 ( -4.275 0.000 -7.104) 8.291 9.264 ( -0.282 0.000 0.644) 0.703 9.298 ( -2.800 0.000 -3.430) 4.427 9.353 ( 2.009 0.000 2.382) 3.116 9.485 ( 4.074 0.000 -5.475) 6.825 9.496 ( 2.544 0.000 -9.583) 9.915 9.511 ( -8.693 0.000 -4.549) 9.811 9.688 ( 0.652 0.000 2.413) 2.500 9.746 ( -1.627 0.000 16.617) 16.696 9.761 ( 0.949 0.000 -4.725) 4.819 9.848 ( -0.412 0.000 1.624) 1.675 9.956 ( 0.038 0.000 -3.642) 3.642 9.983 ( -2.276 0.000 3.438) 4.123 10.020 ( 7.151 0.000 -6.355) 9.566 10.077 ( 0.457 0.000 -5.780) 5.798 10.309 ( -0.494 0.000 5.312) 5.335 10.377 ( -2.255 0.000 -2.604) 3.445 10.403 ( 5.720 0.000 0.593) 5.750 10.412 ( 3.617 0.000 0.204) 3.623 10.731 ( -0.069 0.000 8.710) 8.710 10.880 ( 0.944 0.000 -7.039) 7.102 11.007 ( -7.606 0.000 7.359) 10.583 11.072 ( -6.256 0.000 8.471) 10.531 11.148 ( 4.185 0.000 -5.384) 6.819 11.222 ( 6.672 0.000 -4.517) 8.057 11.450 ( 0.961 0.000 4.703) 4.800 11.495 ( -0.362 0.000 1.327) 1.375 11.500 ( -4.986 0.000 2.642) 5.643 11.555 ( 6.333 0.000 -3.637) 7.303 11.575 ( 5.421 0.000 -1.207) 5.554 11.602 ( -7.165 0.000 -3.424) 7.941 11.698 ( -14.659 0.000 2.351) 14.847 11.759 ( 8.696 0.000 -2.955) 9.184 11.852 ( -4.785 0.000 2.275) 5.298 11.880 ( 2.588 0.000 -0.553) 2.647 12.112 ( 18.811 0.000 4.006) 19.233 12.201 ( -19.163 0.000 -4.469) 19.677 12.245 ( -0.298 0.000 -0.421) 0.515 12.258 ( -1.265 0.000 -2.057) 2.415 12.446 ( -0.060 0.000 2.033) 2.034 12.487 ( -7.791 0.000 -1.848) 8.008 12.555 ( 3.469 0.000 0.945) 3.595 12.577 ( -7.558 0.000 -1.243) 7.660 12.661 ( -9.557 0.000 -2.831) 9.968 12.679 ( 11.010 0.000 -5.356) 12.244 12.961 ( -2.617 0.000 1.228) 2.891 12.979 ( 6.172 0.000 -1.053) 6.261 13.410 ( 2.109 0.000 3.956) 4.483 13.466 ( 0.060 0.000 -2.134) 2.135 13.587 ( 0.075 0.000 0.767) 0.771 13.593 ( 1.339 0.000 -0.034) 1.339 13.664 ( -1.789 0.000 1.489) 2.327 13.679 ( -0.998 0.000 -0.097) 1.003 13.748 ( -4.088 0.000 7.721) 8.737 13.870 ( 4.744 0.000 -5.021) 6.908 14.093 ( 1.046 0.000 0.324) 1.095 14.107 ( -1.909 0.000 -0.952) 2.133 14.228 ( -13.140 0.000 1.933) 13.281 14.262 ( 8.534 0.000 -1.705) 8.703 14.708 ( 0.696 0.000 -0.014) 0.697 14.716 ( -0.245 0.000 -0.974) 1.005 14.899 ( -0.460 0.000 0.460) 0.651 14.904 ( -1.551 0.000 0.227) 1.568 15.042 ( 24.660 0.000 2.783) 24.816 15.104 ( -12.930 0.000 -3.729) 13.456 15.607 ( 5.470 0.000 2.466) 6.000 15.625 ( -5.364 0.000 0.205) 5.368 16.006 ( -1.842 0.000 6.926) 7.167 16.167 ( 2.001 0.000 -9.692) 9.896 ======================= Grid point 82 (37/55) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.037 0.000 17.950) 17.950 1.032 ( -6.525 0.000 13.684) 15.160 1.038 ( 6.151 0.000 22.107) 22.947 1.119 ( 2.350 0.000 -17.698) 17.853 1.206 ( 4.004 0.000 -17.108) 17.570 1.337 ( 3.060 0.000 -13.354) 13.700 1.433 ( -20.687 0.000 3.823) 21.037 1.732 ( 5.409 0.000 8.416) 10.004 1.819 ( 0.091 0.000 -15.252) 15.252 1.982 ( -1.141 0.000 5.426) 5.545 1.992 ( 0.493 0.000 -3.940) 3.971 2.040 ( 0.862 0.000 -4.660) 4.739 2.042 ( 1.333 0.000 4.725) 4.909 2.089 ( -0.377 0.000 -3.362) 3.383 2.108 ( 0.732 0.000 7.120) 7.157 2.123 ( 0.325 0.000 -1.494) 1.529 2.169 ( 3.636 0.000 2.325) 4.316 2.188 ( -0.389 0.000 0.432) 0.582 2.196 ( 0.516 0.000 -3.909) 3.943 2.211 ( 0.953 0.000 -2.235) 2.429 2.265 ( -0.821 0.000 6.581) 6.632 2.329 ( -4.061 0.000 0.203) 4.066 2.339 ( -3.746 0.000 -2.623) 4.573 2.354 ( -2.760 0.000 -4.038) 4.891 2.574 ( -9.310 0.000 2.944) 9.764 2.587 ( 0.192 0.000 -5.324) 5.327 2.662 ( 5.064 0.000 0.678) 5.110 2.721 ( -0.684 0.000 -0.828) 1.074 2.752 ( 0.151 0.000 -0.678) 0.695 2.756 ( 0.829 0.000 0.779) 1.137 2.799 ( -3.236 0.000 3.918) 5.082 2.833 ( -4.501 0.000 -1.628) 4.786 2.914 ( 4.485 0.000 1.162) 4.633 3.034 ( -0.019 0.000 5.508) 5.508 3.037 ( -1.408 0.000 -5.932) 6.096 3.074 ( 3.257 0.000 1.238) 3.485 3.125 ( 3.516 0.000 -0.259) 3.526 3.143 ( 0.895 0.000 -4.921) 5.002 3.198 ( -2.518 0.000 -0.259) 2.532 3.201 ( -0.249 0.000 2.749) 2.761 3.235 ( -1.660 0.000 0.020) 1.660 3.297 ( 4.200 0.000 -3.167) 5.261 3.310 ( -0.769 0.000 3.070) 3.165 3.381 ( 1.118 0.000 -2.085) 2.366 3.395 ( 7.250 0.000 -5.916) 9.358 3.439 ( 1.652 0.000 -1.277) 2.089 3.496 ( -0.446 0.000 7.960) 7.973 3.515 ( -1.956 0.000 2.051) 2.834 3.578 ( -1.503 0.000 5.657) 5.853 3.647 ( -5.037 0.000 1.517) 5.261 3.703 ( -4.626 0.000 -0.190) 4.630 3.813 ( 1.738 0.000 -3.704) 4.091 4.079 ( 5.294 0.000 1.306) 5.453 4.087 ( 0.897 0.000 -1.213) 1.508 4.265 ( -5.920 0.000 -9.004) 10.775 4.271 ( -5.511 0.000 1.223) 5.645 4.476 ( 2.072 0.000 -2.121) 2.965 4.578 ( 2.820 0.000 -0.670) 2.898 4.602 ( 1.171 0.000 -1.150) 1.641 4.667 ( 0.902 0.000 1.174) 1.481 4.670 ( 3.858 0.000 2.943) 4.852 4.720 ( -4.729 0.000 4.694) 6.663 4.893 ( 1.591 0.000 3.548) 3.888 5.045 ( -1.466 0.000 -4.762) 4.983 5.153 ( -3.606 0.000 -3.116) 4.766 5.201 ( 5.862 0.000 -5.281) 7.890 5.294 ( 0.977 0.000 2.487) 2.672 5.528 ( 7.911 0.000 -0.593) 7.933 5.602 ( 11.557 0.000 11.709) 16.452 5.681 ( 0.281 0.000 -0.171) 0.329 5.827 ( -3.288 0.000 -2.662) 4.231 5.899 ( 8.279 0.000 -1.320) 8.384 6.032 ( 4.300 0.000 2.736) 5.097 6.040 ( 7.550 0.000 -2.765) 8.040 6.149 ( -2.420 0.000 2.724) 3.643 6.187 ( 0.290 0.000 -2.467) 2.484 6.292 ( -6.586 0.000 1.236) 6.701 6.390 ( -2.652 0.000 1.425) 3.010 6.436 ( 2.231 0.000 7.068) 7.412 6.456 ( -0.587 0.000 0.316) 0.666 6.525 ( -0.356 0.000 0.847) 0.918 6.620 ( 2.298 0.000 -1.117) 2.556 6.686 ( 1.739 0.000 2.744) 3.248 6.721 ( 1.951 0.000 3.388) 3.910 6.798 ( -0.432 0.000 -2.299) 2.339 6.850 ( 2.291 0.000 1.349) 2.658 7.053 ( -5.853 0.000 -1.534) 6.051 7.171 ( -2.177 0.000 3.913) 4.478 7.251 ( 1.087 0.000 6.635) 6.724 7.312 ( 1.603 0.000 -6.456) 6.652 7.330 ( 3.218 0.000 -4.405) 5.455 7.360 ( 4.148 0.000 -2.387) 4.786 7.422 ( -2.438 0.000 0.915) 2.604 7.453 ( 0.125 0.000 2.853) 2.855 7.573 ( -0.045 0.000 6.538) 6.538 7.676 ( -1.026 0.000 -4.458) 4.575 7.701 ( 0.808 0.000 0.164) 0.825 7.709 ( -0.109 0.000 -6.042) 6.043 7.768 ( -0.121 0.000 1.272) 1.277 7.851 ( 3.308 0.000 -3.322) 4.689 8.002 ( -4.065 0.000 -4.846) 6.325 8.046 ( -1.214 0.000 -3.488) 3.693 8.081 ( -0.161 0.000 -1.206) 1.217 8.081 ( 4.024 0.000 -0.373) 4.041 8.121 ( -2.217 0.000 5.828) 6.235 8.275 ( -0.521 0.000 -0.845) 0.993 8.406 ( 3.681 0.000 1.550) 3.993 8.432 ( -6.507 0.000 -3.823) 7.547 8.439 ( -3.002 0.000 -1.113) 3.202 8.462 ( -0.175 0.000 3.177) 3.182 8.600 ( -1.585 0.000 -1.072) 1.913 8.617 ( 0.634 0.000 0.932) 1.127 8.678 ( 2.540 0.000 1.422) 2.911 8.693 ( -0.118 0.000 -1.216) 1.222 8.703 ( 1.054 0.000 3.273) 3.438 8.737 ( 2.710 0.000 9.539) 9.916 8.782 ( -4.372 0.000 -1.819) 4.736 8.821 ( -1.723 0.000 -3.199) 3.633 8.893 ( 2.241 0.000 2.036) 3.027 8.979 ( -6.250 0.000 2.213) 6.630 8.997 ( -1.946 0.000 4.792) 5.172 9.009 ( 4.458 0.000 1.169) 4.608 9.176 ( 2.461 0.000 -10.015) 10.313 9.211 ( -1.649 0.000 14.258) 14.353 9.307 ( 1.294 0.000 5.959) 6.098 9.343 ( -1.906 0.000 -7.241) 7.488 9.363 ( 0.399 0.000 -6.399) 6.412 9.364 ( 9.983 0.000 0.639) 10.003 9.497 ( 0.736 0.000 -6.668) 6.708 9.602 ( 7.569 0.000 2.923) 8.114 9.746 ( 0.911 0.000 -2.589) 2.745 9.747 ( 1.654 0.000 1.347) 2.133 9.850 ( 1.864 0.000 3.722) 4.163 9.881 ( 2.249 0.000 -2.379) 3.274 9.909 ( 5.681 0.000 1.286) 5.825 10.036 ( 0.944 0.000 2.823) 2.977 10.061 ( 3.406 0.000 -8.911) 9.540 10.119 ( 1.713 0.000 -3.933) 4.290 10.304 ( -3.716 0.000 4.459) 5.804 10.305 ( -3.756 0.000 2.665) 4.606 10.405 ( -6.328 0.000 -7.586) 9.879 10.414 ( -1.692 0.000 -4.232) 4.558 10.734 ( -7.454 0.000 4.870) 8.904 10.766 ( -18.230 0.000 -4.178) 18.703 10.939 ( -3.540 0.000 10.897) 11.457 10.995 ( -5.152 0.000 7.828) 9.371 11.173 ( -9.313 0.000 2.579) 9.664 11.191 ( -2.070 0.000 -2.416) 3.182 11.224 ( -18.586 0.000 1.028) 18.615 11.232 ( -2.926 0.000 0.757) 3.022 11.386 ( -3.114 0.000 4.425) 5.410 11.458 ( -3.906 0.000 -2.201) 4.483 11.505 ( 1.567 0.000 0.124) 1.572 11.524 ( 1.808 0.000 -0.051) 1.808 11.630 ( -2.366 0.000 2.490) 3.435 11.706 ( -6.673 0.000 1.920) 6.944 11.815 ( -1.886 0.000 -0.514) 1.954 11.834 ( -2.044 0.000 0.170) 2.051 12.046 ( 4.302 0.000 -2.514) 4.982 12.251 ( -3.351 0.000 0.593) 3.404 12.290 ( -0.971 0.000 -0.777) 1.243 12.319 ( -0.284 0.000 -0.446) 0.528 12.418 ( -5.169 0.000 1.063) 5.277 12.435 ( -8.047 0.000 2.020) 8.297 12.657 ( 13.077 0.000 -2.211) 13.263 12.696 ( 12.744 0.000 -1.664) 12.852 12.735 ( 11.310 0.000 12.597) 16.930 12.870 ( 10.030 0.000 -1.762) 10.184 12.964 ( 4.589 0.000 -0.680) 4.640 13.106 ( 6.195 0.000 -4.235) 7.504 13.425 ( -4.175 0.000 2.276) 4.756 13.469 ( 1.930 0.000 -3.697) 4.171 13.534 ( -4.857 0.000 1.065) 4.972 13.560 ( -6.498 0.000 -2.719) 7.044 13.644 ( 0.445 0.000 2.711) 2.747 13.673 ( 2.225 0.000 1.415) 2.637 13.710 ( -2.753 0.000 3.789) 4.683 13.836 ( -6.165 0.000 -4.806) 7.817 13.971 ( -8.451 0.000 6.943) 10.937 14.093 ( -0.484 0.000 -1.125) 1.225 14.198 ( 5.200 0.000 0.824) 5.265 14.408 ( 5.456 0.000 -0.845) 5.521 14.602 ( -11.515 0.000 -5.456) 12.742 14.686 ( -3.157 0.000 -1.446) 3.473 14.769 ( -0.083 0.000 -0.921) 0.925 14.836 ( -3.017 0.000 1.069) 3.201 15.038 ( 4.105 0.000 -2.808) 4.974 15.154 ( -5.234 0.000 2.942) 6.004 15.806 ( 8.857 0.000 4.275) 9.835 15.860 ( 18.233 0.000 -10.248) 20.915 15.984 ( -3.764 0.000 7.476) 8.370 16.151 ( 0.661 0.000 -9.624) 9.647 ======================= Grid point 83 (38/55) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -7.764 0.000 15.890) 17.686 1.001 ( -19.536 0.000 7.969) 21.099 1.046 ( 0.018 0.000 15.449) 15.449 1.205 ( 13.624 0.000 -12.723) 18.641 1.220 ( 4.544 0.000 -14.959) 15.634 1.314 ( 6.655 0.000 3.677) 7.603 1.338 ( 5.426 0.000 -0.865) 5.495 1.679 ( -6.592 0.000 -18.834) 19.955 1.820 ( -2.499 0.000 9.406) 9.732 1.947 ( -0.483 0.000 -4.282) 4.309 1.978 ( -2.132 0.000 5.287) 5.700 2.029 ( -1.513 0.000 -0.607) 1.630 2.047 ( 1.241 0.000 -4.062) 4.247 2.065 ( 0.345 0.000 -2.969) 2.989 2.113 ( -1.186 0.000 3.503) 3.698 2.152 ( 1.848 0.000 -0.107) 1.851 2.170 ( -1.093 0.000 0.266) 1.125 2.184 ( -0.594 0.000 -0.432) 0.735 2.220 ( -1.766 0.000 0.968) 2.014 2.227 ( -0.562 0.000 1.759) 1.847 2.247 ( 0.488 0.000 -0.746) 0.891 2.248 ( -0.120 0.000 -2.345) 2.348 2.346 ( -1.060 0.000 1.959) 2.228 2.352 ( 3.018 0.000 -1.267) 3.273 2.468 ( -2.864 0.000 4.025) 4.940 2.588 ( 3.221 0.000 -7.000) 7.706 2.725 ( -0.008 0.000 0.642) 0.642 2.727 ( -0.475 0.000 -0.064) 0.479 2.737 ( -0.312 0.000 -0.974) 1.022 2.746 ( 1.045 0.000 -0.405) 1.121 2.775 ( -0.381 0.000 1.909) 1.947 2.822 ( 5.358 0.000 0.045) 5.359 2.978 ( -2.371 0.000 -0.197) 2.379 3.008 ( 2.120 0.000 -1.280) 2.477 3.061 ( 0.576 0.000 4.487) 4.524 3.106 ( -2.260 0.000 -0.633) 2.347 3.156 ( 1.056 0.000 -0.307) 1.099 3.164 ( 1.858 0.000 3.658) 4.103 3.165 ( -2.056 0.000 0.134) 2.060 3.222 ( 2.688 0.000 -1.085) 2.899 3.225 ( -0.425 0.000 2.671) 2.705 3.288 ( -2.952 0.000 -4.790) 5.627 3.329 ( 0.408 0.000 3.691) 3.713 3.372 ( -2.860 0.000 -0.136) 2.864 3.406 ( -0.739 0.000 1.532) 1.701 3.449 ( -0.109 0.000 -1.286) 1.290 3.521 ( 0.925 0.000 0.380) 1.000 3.543 ( -2.114 0.000 3.377) 3.984 3.594 ( 5.705 0.000 -3.424) 6.654 3.624 ( 2.558 0.000 -2.142) 3.336 3.701 ( 4.566 0.000 2.352) 5.136 3.768 ( -2.839 0.000 -4.327) 5.175 4.046 ( -3.693 0.000 1.904) 4.154 4.141 ( -2.254 0.000 -7.633) 7.959 4.176 ( 4.830 0.000 -0.891) 4.912 4.179 ( -3.013 0.000 -0.028) 3.013 4.508 ( 1.211 0.000 0.105) 1.215 4.520 ( -4.237 0.000 -1.188) 4.400 4.684 ( -3.751 0.000 3.220) 4.944 4.686 ( 5.514 0.000 1.952) 5.849 4.762 ( 0.082 0.000 0.158) 0.178 4.804 ( 8.324 0.000 -2.673) 8.743 4.883 ( 0.453 0.000 2.920) 2.955 4.961 ( -2.886 0.000 -6.302) 6.932 5.115 ( 0.366 0.000 0.046) 0.369 5.227 ( -0.625 0.000 -10.021) 10.041 5.375 ( 5.539 0.000 6.255) 8.355 5.461 ( -7.968 0.000 -2.613) 8.386 5.662 ( -2.141 0.000 5.344) 5.757 5.718 ( -3.496 0.000 0.275) 3.506 5.927 ( 4.165 0.000 7.513) 8.590 6.025 ( 1.267 0.000 -2.689) 2.972 6.095 ( 0.900 0.000 1.401) 1.665 6.102 ( -1.998 0.000 3.007) 3.610 6.140 ( -0.731 0.000 0.814) 1.094 6.220 ( 3.574 0.000 -4.867) 6.038 6.291 ( -6.749 0.000 1.441) 6.901 6.308 ( 9.030 0.000 0.015) 9.030 6.409 ( -3.653 0.000 3.831) 5.293 6.457 ( 1.045 0.000 -0.014) 1.045 6.637 ( 3.320 0.000 1.650) 3.707 6.666 ( 0.190 0.000 -1.307) 1.321 6.732 ( 2.424 0.000 7.571) 7.950 6.739 ( -0.541 0.000 1.890) 1.966 6.809 ( 1.635 0.000 -2.000) 2.583 6.908 ( -0.306 0.000 -6.056) 6.064 7.000 ( 5.475 0.000 4.836) 7.305 7.092 ( -5.364 0.000 -1.551) 5.584 7.268 ( -5.553 0.000 -0.193) 5.556 7.298 ( -1.006 0.000 2.261) 2.475 7.343 ( 4.891 0.000 0.138) 4.893 7.401 ( 0.969 0.000 -4.132) 4.244 7.459 ( -1.727 0.000 1.230) 2.121 7.461 ( 3.462 0.000 -0.863) 3.568 7.590 ( -1.993 0.000 4.817) 5.214 7.611 ( -5.076 0.000 -1.745) 5.368 7.664 ( 2.635 0.000 -2.510) 3.639 7.714 ( 0.949 0.000 -3.480) 3.607 7.760 ( -2.143 0.000 5.025) 5.463 7.869 ( -0.511 0.000 -4.958) 4.984 7.904 ( -2.162 0.000 1.605) 2.693 7.988 ( -2.151 0.000 -5.702) 6.094 8.099 ( 5.128 0.000 -0.189) 5.132 8.104 ( -7.963 0.000 -0.720) 7.996 8.187 ( 1.946 0.000 6.430) 6.718 8.254 ( 3.682 0.000 -0.701) 3.748 8.312 ( 2.049 0.000 1.883) 2.783 8.364 ( -3.490 0.000 -2.784) 4.464 8.484 ( -1.887 0.000 0.343) 1.918 8.499 ( 2.732 0.000 -0.834) 2.856 8.570 ( -1.521 0.000 -0.979) 1.809 8.573 ( -0.168 0.000 -1.255) 1.266 8.673 ( -4.818 0.000 0.066) 4.819 8.684 ( 1.335 0.000 -0.512) 1.430 8.736 ( -4.277 0.000 1.761) 4.625 8.740 ( 3.360 0.000 -0.357) 3.379 8.807 ( -1.418 0.000 10.740) 10.833 8.885 ( -2.675 0.000 1.549) 3.091 8.923 ( 10.802 0.000 3.645) 11.400 8.943 ( 0.337 0.000 3.004) 3.023 8.991 ( -0.378 0.000 3.794) 3.812 9.063 ( 1.315 0.000 -3.338) 3.588 9.147 ( -9.515 0.000 6.471) 11.507 9.242 ( 7.302 0.000 -7.150) 10.219 9.266 ( -4.030 0.000 1.171) 4.197 9.349 ( 4.543 0.000 -4.440) 6.352 9.395 ( 2.022 0.000 -0.082) 2.023 9.473 ( 1.225 0.000 -7.548) 7.647 9.644 ( 10.502 0.000 1.096) 10.559 9.718 ( -4.890 0.000 2.596) 5.537 9.731 ( -1.747 0.000 2.927) 3.409 9.748 ( -0.219 0.000 0.958) 0.983 9.827 ( 0.331 0.000 -3.920) 3.934 9.871 ( -12.577 0.000 -2.280) 12.782 10.009 ( 3.304 0.000 3.331) 4.692 10.028 ( 5.793 0.000 2.681) 6.383 10.084 ( -0.046 0.000 -2.482) 2.482 10.105 ( -9.196 0.000 -4.477) 10.228 10.230 ( -3.116 0.000 3.723) 4.855 10.259 ( 5.032 0.000 1.299) 5.197 10.291 ( 4.818 0.000 -1.074) 4.936 10.304 ( -11.957 0.000 -3.463) 12.448 10.485 ( 7.112 0.000 7.635) 10.434 10.564 ( -4.668 0.000 -1.592) 4.933 10.947 ( 1.864 0.000 4.486) 4.858 10.960 ( -1.031 0.000 3.649) 3.792 11.072 ( 4.544 0.000 5.811) 7.377 11.114 ( -3.061 0.000 1.033) 3.231 11.193 ( 0.469 0.000 4.724) 4.747 11.276 ( 1.848 0.000 -3.113) 3.620 11.384 ( -0.182 0.000 -1.443) 1.454 11.449 ( 4.565 0.000 -8.375) 9.538 11.515 ( -4.429 0.000 2.323) 5.001 11.529 ( -3.400 0.000 1.315) 3.645 11.615 ( 3.558 0.000 1.147) 3.738 11.644 ( 1.707 0.000 -2.343) 2.899 11.791 ( 1.071 0.000 0.569) 1.213 11.802 ( 0.013 0.000 -0.397) 0.397 12.127 ( -7.498 0.000 1.389) 7.626 12.157 ( 6.478 0.000 -0.853) 6.534 12.267 ( 0.710 0.000 0.438) 0.834 12.273 ( -1.923 0.000 -0.531) 1.995 12.364 ( 0.419 0.000 0.849) 0.947 12.375 ( 1.045 0.000 -0.357) 1.104 12.777 ( -2.005 0.000 -0.144) 2.010 12.795 ( 2.003 0.000 -2.499) 3.203 12.932 ( 0.910 0.000 8.759) 8.807 13.065 ( 6.706 0.000 -4.688) 8.182 13.116 ( 3.660 0.000 -0.334) 3.675 13.129 ( -4.590 0.000 -2.114) 5.054 13.330 ( -3.263 0.000 7.389) 8.077 13.444 ( 0.609 0.000 -1.693) 1.799 13.479 ( -1.164 0.000 -1.316) 1.757 13.480 ( -0.972 0.000 -3.785) 3.908 13.618 ( -0.214 0.000 2.874) 2.882 13.680 ( -1.825 0.000 -2.815) 3.355 13.705 ( -0.371 0.000 1.486) 1.532 13.723 ( 0.894 0.000 -1.146) 1.453 13.930 ( 0.298 0.000 8.284) 8.289 14.050 ( 0.075 0.000 -4.407) 4.408 14.307 ( 2.758 0.000 2.642) 3.819 14.380 ( -6.665 0.000 -5.088) 8.385 14.562 ( 6.689 0.000 -0.063) 6.689 14.570 ( -5.573 0.000 -1.187) 5.698 14.798 ( 1.789 0.000 0.619) 1.893 14.810 ( -0.807 0.000 -0.711) 1.075 15.065 ( -4.706 0.000 3.183) 5.681 15.113 ( 4.070 0.000 -2.041) 4.553 15.903 ( -8.143 0.000 8.006) 11.420 15.949 ( 2.912 0.000 5.502) 6.225 16.076 ( 5.908 0.000 -10.366) 11.931 16.098 ( 0.334 0.000 -10.526) 10.531 ======================= Grid point 84 (39/55) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( -6.924 0.000 19.068) 20.286 0.859 ( -6.343 0.000 20.018) 20.999 1.096 ( -1.654 0.000 12.506) 12.615 1.235 ( 3.097 0.000 -14.211) 14.544 1.315 ( 3.595 0.000 -15.918) 16.319 1.436 ( -7.185 0.000 -20.011) 21.261 1.522 ( 19.693 0.000 -6.585) 20.764 1.556 ( 4.165 0.000 11.845) 12.556 1.680 ( -15.888 0.000 28.485) 32.616 1.918 ( 1.258 0.000 -11.964) 12.030 1.976 ( -0.272 0.000 4.460) 4.469 2.043 ( 3.219 0.000 -1.709) 3.644 2.060 ( 0.538 0.000 -2.778) 2.830 2.073 ( 1.467 0.000 -0.639) 1.600 2.122 ( 0.164 0.000 2.301) 2.307 2.152 ( -1.471 0.000 -0.897) 1.722 2.162 ( -0.613 0.000 1.696) 1.804 2.176 ( -0.638 0.000 -0.253) 0.686 2.183 ( 0.827 0.000 -1.001) 1.298 2.208 ( 0.591 0.000 -1.976) 2.062 2.294 ( 3.065 0.000 1.421) 3.379 2.303 ( -0.034 0.000 1.449) 1.449 2.316 ( 2.917 0.000 -0.547) 2.968 2.429 ( 3.737 0.000 -3.152) 4.889 2.472 ( 0.537 0.000 4.829) 4.859 2.661 ( 5.417 0.000 -4.698) 7.171 2.705 ( -0.997 0.000 1.034) 1.436 2.709 ( 0.574 0.000 -3.919) 3.960 2.743 ( 0.033 0.000 0.048) 0.058 2.762 ( -0.709 0.000 0.500) 0.867 2.816 ( 4.018 0.000 0.162) 4.021 2.904 ( 1.437 0.000 -5.911) 6.083 2.939 ( 0.480 0.000 -1.404) 1.484 2.983 ( -1.932 0.000 -0.578) 2.016 3.061 ( -3.103 0.000 4.302) 5.305 3.091 ( 1.244 0.000 -1.900) 2.271 3.113 ( -3.540 0.000 0.949) 3.665 3.172 ( -1.896 0.000 -4.720) 5.087 3.183 ( -1.277 0.000 1.078) 1.671 3.201 ( 2.717 0.000 -0.392) 2.745 3.225 ( -2.547 0.000 4.005) 4.746 3.273 ( 1.788 0.000 -1.760) 2.508 3.309 ( -3.170 0.000 1.317) 3.433 3.337 ( -0.995 0.000 2.688) 2.867 3.383 ( -1.065 0.000 -2.480) 2.699 3.433 ( -1.932 0.000 -1.033) 2.191 3.488 ( -2.779 0.000 2.088) 3.476 3.568 ( 2.130 0.000 3.850) 4.400 3.663 ( 1.182 0.000 -6.840) 6.941 3.715 ( 2.085 0.000 3.812) 4.345 3.725 ( 2.041 0.000 -2.542) 3.260 3.772 ( 2.192 0.000 -5.043) 5.499 4.066 ( 1.882 0.000 8.360) 8.570 4.067 ( -3.076 0.000 -0.906) 3.207 4.134 ( 1.246 0.000 -1.261) 1.773 4.289 ( 4.805 0.000 0.004) 4.805 4.446 ( -3.785 0.000 1.702) 4.150 4.552 ( 3.122 0.000 2.107) 3.767 4.560 ( -5.834 0.000 0.666) 5.871 4.717 ( -3.532 0.000 -2.449) 4.298 4.719 ( 0.539 0.000 -4.419) 4.451 4.841 ( -0.015 0.000 -6.750) 6.750 4.976 ( 2.634 0.000 2.335) 3.520 4.993 ( 5.405 0.000 -2.555) 5.979 5.120 ( 0.917 0.000 1.285) 1.578 5.144 ( -1.441 0.000 -6.045) 6.214 5.321 ( -3.847 0.000 1.098) 4.001 5.468 ( -2.731 0.000 4.002) 4.845 5.657 ( -5.141 0.000 2.174) 5.582 5.683 ( 1.033 0.000 10.309) 10.361 5.865 ( -6.736 0.000 3.920) 7.794 5.869 ( -12.464 0.000 -13.231) 18.177 6.035 ( -6.305 0.000 -0.929) 6.373 6.086 ( -2.960 0.000 -2.822) 4.090 6.132 ( 1.110 0.000 2.582) 2.810 6.194 ( 1.300 0.000 -2.216) 2.569 6.311 ( 4.724 0.000 -0.318) 4.735 6.354 ( -3.679 0.000 5.004) 6.211 6.448 ( 3.159 0.000 -0.290) 3.172 6.503 ( 3.075 0.000 0.295) 3.089 6.567 ( -6.140 0.000 -3.113) 6.884 6.624 ( -1.704 0.000 -0.615) 1.811 6.768 ( 0.043 0.000 -1.947) 1.948 6.790 ( -3.870 0.000 -6.667) 7.709 6.797 ( -2.321 0.000 -1.944) 3.027 6.838 ( 0.895 0.000 2.239) 2.411 7.029 ( 3.237 0.000 -0.990) 3.385 7.166 ( 3.375 0.000 4.452) 5.586 7.184 ( -3.184 0.000 6.186) 6.957 7.263 ( -2.601 0.000 2.656) 3.718 7.346 ( -3.603 0.000 -0.210) 3.609 7.383 ( -0.442 0.000 -6.906) 6.920 7.470 ( 2.337 0.000 -4.176) 4.785 7.477 ( -0.767 0.000 -0.297) 0.822 7.569 ( -1.937 0.000 5.789) 6.105 7.605 ( 3.161 0.000 3.337) 4.596 7.704 ( 0.675 0.000 -6.333) 6.369 7.728 ( 2.779 0.000 -0.126) 2.782 7.760 ( -0.480 0.000 6.746) 6.763 7.784 ( -3.315 0.000 -0.981) 3.457 7.920 ( 2.851 0.000 6.866) 7.434 7.983 ( 3.065 0.000 -2.124) 3.729 8.073 ( 1.413 0.000 0.900) 1.675 8.122 ( -6.932 0.000 -3.541) 7.784 8.216 ( -2.052 0.000 -4.145) 4.625 8.224 ( 2.702 0.000 4.500) 5.249 8.382 ( 7.197 0.000 0.310) 7.204 8.391 ( 0.532 0.000 1.922) 1.994 8.450 ( 1.162 0.000 -1.763) 2.112 8.529 ( -2.428 0.000 0.321) 2.449 8.539 ( 1.651 0.000 1.903) 2.519 8.603 ( 2.140 0.000 1.812) 2.804 8.655 ( 1.788 0.000 -0.142) 1.793 8.666 ( -1.510 0.000 -0.443) 1.574 8.737 ( 1.500 0.000 5.943) 6.130 8.741 ( -3.923 0.000 0.266) 3.932 8.816 ( 0.703 0.000 3.815) 3.879 8.846 ( -1.241 0.000 -1.086) 1.649 8.926 ( -6.120 0.000 6.073) 8.622 8.974 ( -4.091 0.000 -5.043) 6.494 9.007 ( 0.556 0.000 0.088) 0.563 9.029 ( -0.199 0.000 7.252) 7.255 9.055 ( 0.493 0.000 -6.838) 6.855 9.247 ( 2.265 0.000 1.060) 2.500 9.335 ( -0.495 0.000 -3.313) 3.350 9.379 ( -5.730 0.000 3.359) 6.642 9.416 ( -2.390 0.000 -4.608) 5.191 9.439 ( 3.440 0.000 -7.612) 8.353 9.526 ( -4.923 0.000 -13.484) 14.354 9.662 ( -4.073 0.000 2.222) 4.640 9.727 ( -5.783 0.000 21.138) 21.915 9.744 ( 7.165 0.000 -7.626) 10.464 9.751 ( -2.918 0.000 4.460) 5.329 9.800 ( -1.181 0.000 -2.949) 3.177 9.965 ( -3.545 0.000 -3.992) 5.339 9.986 ( -3.640 0.000 -2.369) 4.343 10.090 ( 2.743 0.000 -1.767) 3.263 10.091 ( -4.274 0.000 -1.249) 4.453 10.279 ( 5.604 0.000 6.739) 8.765 10.285 ( 2.917 0.000 4.355) 5.242 10.296 ( 2.468 0.000 2.662) 3.630 10.396 ( 0.698 0.000 -0.336) 0.774 10.634 ( 6.362 0.000 7.682) 9.975 10.807 ( 16.539 0.000 -1.561) 16.613 11.026 ( 5.666 0.000 3.805) 6.825 11.061 ( 4.565 0.000 -0.463) 4.589 11.152 ( -4.378 0.000 0.139) 4.381 11.189 ( 10.831 0.000 0.215) 10.833 11.227 ( -0.542 0.000 -1.739) 1.822 11.291 ( 5.019 0.000 -2.638) 5.670 11.397 ( 10.039 0.000 4.952) 11.194 11.487 ( 2.499 0.000 0.970) 2.680 11.513 ( 2.714 0.000 0.447) 2.751 11.522 ( 5.562 0.000 -6.370) 8.457 11.698 ( 4.651 0.000 -4.789) 6.676 11.724 ( 7.426 0.000 0.563) 7.447 11.815 ( 0.115 0.000 -0.309) 0.329 11.840 ( 1.622 0.000 -0.260) 1.643 11.987 ( -5.814 0.000 2.737) 6.426 12.244 ( 0.756 0.000 0.761) 1.072 12.268 ( -0.129 0.000 1.354) 1.360 12.355 ( 6.426 0.000 -3.209) 7.183 12.438 ( 6.340 0.000 -0.413) 6.354 12.466 ( 8.136 0.000 -0.998) 8.197 12.639 ( -11.791 0.000 -0.747) 11.814 12.708 ( -10.185 0.000 -3.050) 10.631 12.859 ( -8.511 0.000 0.549) 8.529 12.951 ( -5.281 0.000 -1.115) 5.398 12.997 ( -12.274 0.000 -13.131) 17.974 13.047 ( -6.436 0.000 2.284) 6.829 13.393 ( -3.186 0.000 4.087) 5.182 13.455 ( 1.316 0.000 -1.059) 1.690 13.480 ( 9.180 0.000 6.315) 11.143 13.542 ( 5.123 0.000 -0.666) 5.166 13.681 ( -1.940 0.000 0.734) 2.074 13.684 ( 0.008 0.000 -1.147) 1.147 13.728 ( 4.444 0.000 5.936) 7.415 13.774 ( 5.613 0.000 -3.201) 6.461 14.056 ( 6.012 0.000 3.821) 7.124 14.086 ( 4.887 0.000 -4.606) 6.715 14.225 ( -5.046 0.000 -2.604) 5.679 14.336 ( 3.905 0.000 8.654) 9.494 14.511 ( 0.761 0.000 1.401) 1.594 14.676 ( 3.230 0.000 -0.101) 3.231 14.770 ( -2.187 0.000 -1.018) 2.412 14.847 ( 3.276 0.000 -0.157) 3.279 14.988 ( -4.212 0.000 2.692) 4.999 15.190 ( 3.739 0.000 -1.003) 3.871 15.711 ( -13.156 0.000 6.211) 14.549 15.907 ( -12.313 0.000 -8.131) 14.755 15.998 ( -0.302 0.000 6.312) 6.319 16.155 ( 3.861 0.000 -10.072) 10.787 ======================= Grid point 85 (40/55) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 3.012 2.974 19.660) 20.111 1.080 ( -2.579 17.902 16.890) 24.746 1.215 ( -3.595 0.953 -18.702) 19.068 1.294 ( -4.039 18.049 9.093) 20.610 1.371 ( 2.446 14.047 -14.207) 20.128 1.476 ( 3.290 13.103 -10.641) 17.197 1.654 ( -2.242 6.474 14.808) 16.316 1.721 ( -2.400 8.195 18.980) 20.812 1.852 ( 10.633 1.447 -6.016) 12.302 1.915 ( 1.846 1.701 -9.653) 9.975 2.011 ( -5.631 -0.883 -0.114) 5.701 2.043 ( 0.209 -0.393 1.103) 1.189 2.057 ( 0.501 0.248 -0.400) 0.687 2.068 ( -0.076 1.436 -0.196) 1.451 2.143 ( -0.082 3.344 0.242) 3.354 2.173 ( 0.507 6.309 -1.005) 6.408 2.207 ( -1.374 4.958 2.140) 5.573 2.245 ( 0.972 5.584 -0.631) 5.703 2.259 ( 1.367 4.272 -0.378) 4.501 2.272 ( 0.323 4.354 -0.375) 4.382 2.292 ( -1.270 1.138 0.503) 1.778 2.391 ( 1.695 4.191 -1.460) 4.751 2.407 ( -0.427 3.259 -0.201) 3.293 2.438 ( 0.534 1.702 -8.700) 8.881 2.538 ( 2.904 0.378 5.022) 5.814 2.610 ( -1.225 -1.844 -2.509) 3.346 2.693 ( -0.073 -3.761 1.400) 4.013 2.709 ( -1.308 -1.608 -0.276) 2.091 2.732 ( -0.970 -0.599 -1.648) 2.004 2.747 ( 1.384 0.343 -2.517) 2.893 2.855 ( -2.956 0.606 2.352) 3.826 2.906 ( -3.184 -2.472 0.487) 4.061 2.935 ( -1.880 -1.498 1.415) 2.789 2.961 ( 1.163 -2.683 0.403) 2.952 2.992 ( -0.923 0.227 -1.045) 1.412 3.061 ( 3.569 -0.338 -3.525) 5.027 3.140 ( 0.009 -0.305 -2.136) 2.158 3.156 ( 2.479 2.637 -2.257) 4.265 3.239 ( 1.368 -0.914 0.895) 1.873 3.256 ( 0.144 -0.171 -0.643) 0.680 3.285 ( 2.350 6.355 1.470) 6.933 3.336 ( -0.303 5.677 -3.625) 6.743 3.426 ( -1.672 9.477 2.653) 9.982 3.457 ( -1.632 10.278 4.602) 11.379 3.481 ( 0.166 19.067 -1.559) 19.131 3.559 ( 0.828 14.702 -3.724) 15.189 3.569 ( -3.398 8.939 1.613) 9.698 3.595 ( -0.271 3.470 -0.219) 3.488 3.668 ( -2.388 12.849 2.200) 13.252 3.692 ( 2.901 -0.522 2.025) 3.576 3.749 ( -0.707 3.502 -1.380) 3.830 3.793 ( -0.991 -0.034 -1.901) 2.144 4.020 ( -0.686 1.274 2.583) 2.961 4.051 ( -0.695 1.313 0.061) 1.487 4.290 ( -0.222 -3.415 2.349) 4.151 4.324 ( 3.686 -1.699 -0.967) 4.173 4.437 ( 7.656 0.440 6.825) 10.266 4.534 ( -2.093 -2.031 -1.521) 3.289 4.572 ( -0.196 -0.381 -0.344) 0.550 4.584 ( -1.762 -1.905 -0.982) 2.775 4.755 ( -2.713 -0.619 0.038) 2.783 4.790 ( -2.030 1.193 -4.264) 4.871 4.904 ( -5.617 -0.659 1.110) 5.764 4.966 ( 4.144 -1.214 -5.540) 7.025 5.151 ( 1.049 -2.045 1.639) 2.823 5.170 ( 1.147 -1.728 -1.498) 2.559 5.293 ( -0.112 -0.621 1.119) 1.284 5.334 ( -2.291 1.442 -2.273) 3.535 5.562 ( -0.800 1.664 4.006) 4.411 5.649 ( 0.396 0.964 -4.881) 4.991 5.779 ( 0.318 -2.415 4.596) 5.202 5.808 ( 2.888 -2.492 2.412) 4.513 5.933 ( 0.943 -1.865 2.168) 3.011 6.004 ( -2.074 -0.197 -5.234) 5.633 6.159 ( 0.926 -1.081 2.974) 3.297 6.185 ( 0.257 -1.296 0.791) 1.540 6.274 ( -0.110 -6.377 1.170) 6.485 6.304 ( -1.722 -7.283 -0.550) 7.504 6.360 ( -1.460 1.019 4.869) 5.184 6.478 ( -1.605 1.022 -5.897) 6.196 6.693 ( -2.611 1.171 2.351) 3.704 6.708 ( -2.795 -0.966 1.572) 3.349 6.761 ( 2.716 4.493 -0.119) 5.252 6.791 ( 0.669 9.405 -3.074) 9.918 6.868 ( -0.055 11.704 2.336) 11.935 6.936 ( 0.976 11.956 -4.223) 12.717 7.054 ( -3.026 -4.348 6.001) 8.004 7.145 ( 4.774 -0.570 -2.329) 5.342 7.173 ( 1.906 -0.778 2.878) 3.538 7.236 ( 0.317 -1.631 -3.136) 3.549 7.300 ( -1.046 -0.654 0.484) 1.325 7.379 ( -2.161 0.230 -6.641) 6.988 7.475 ( -1.848 3.215 6.157) 7.187 7.533 ( -2.073 -2.042 6.534) 7.153 7.559 ( -1.526 6.197 0.608) 6.411 7.649 ( 2.770 -0.809 -3.744) 4.727 7.680 ( 0.441 -1.843 -4.877) 5.232 7.705 ( 1.190 -0.610 -7.074) 7.199 7.792 ( -0.851 2.732 4.770) 5.562 7.866 ( 1.653 2.798 -1.360) 3.523 7.875 ( -0.596 -9.811 2.121) 10.055 7.970 ( -0.132 -5.201 -0.796) 5.263 8.007 ( 0.610 -4.463 0.077) 4.505 8.108 ( -0.020 -1.510 -4.003) 4.278 8.265 ( 1.775 2.452 3.955) 4.980 8.283 ( 0.250 2.783 1.650) 3.245 8.363 ( -2.924 -1.453 4.113) 5.251 8.429 ( 1.625 -2.176 -1.909) 3.319 8.497 ( 4.352 -2.446 2.457) 5.564 8.538 ( -0.231 1.229 -0.323) 1.291 8.595 ( 0.113 -3.448 2.147) 4.064 8.606 ( -2.723 -1.831 1.151) 3.477 8.647 ( 4.519 2.776 1.538) 5.522 8.674 ( 0.579 -1.747 0.190) 1.850 8.708 ( -5.349 3.125 -0.440) 6.210 8.757 ( -2.850 2.472 -3.943) 5.457 8.823 ( 0.463 0.778 -2.610) 2.763 8.868 ( 1.857 0.094 -1.905) 2.662 8.889 ( -2.541 5.153 0.567) 5.774 8.932 ( 2.972 2.888 -4.493) 6.112 9.047 ( 1.760 2.900 3.317) 4.745 9.075 ( -0.928 4.242 4.187) 6.032 9.129 ( 2.603 1.322 8.901) 9.368 9.196 ( -0.923 -3.059 1.373) 3.477 9.235 ( -5.766 -4.632 -5.798) 9.398 9.300 ( 0.222 -0.140 -4.851) 4.858 9.364 ( -1.938 1.981 4.844) 5.581 9.458 ( 6.676 -0.738 0.728) 6.756 9.479 ( -2.060 0.550 -4.566) 5.039 9.503 ( -3.313 1.926 -4.730) 6.087 9.659 ( -4.422 -2.670 2.825) 5.888 9.722 ( 5.784 -1.695 -3.989) 7.228 9.774 ( -0.487 2.601 -2.362) 3.547 9.885 ( 1.327 -2.021 -8.260) 8.606 10.066 ( 2.591 6.491 3.913) 8.010 10.071 ( 2.219 13.989 4.104) 14.746 10.114 ( -3.086 9.846 0.958) 10.362 10.157 ( 2.262 6.579 -2.971) 7.565 10.318 ( -0.462 -0.273 4.001) 4.037 10.384 ( 2.697 -1.001 -2.500) 3.811 10.443 ( -1.933 4.196 0.200) 4.624 10.446 ( 2.335 5.063 0.151) 5.578 10.751 ( 0.264 1.805 7.115) 7.345 10.877 ( 0.359 -0.811 -5.948) 6.014 10.938 ( -7.374 -6.663 8.475) 13.061 11.009 ( -0.662 -6.486 1.518) 6.694 11.142 ( 1.079 0.551 -0.986) 1.562 11.179 ( 3.505 -3.460 -3.093) 5.816 11.358 ( 3.372 -7.940 2.388) 8.951 11.390 ( -1.242 -6.395 0.833) 6.567 11.502 ( -4.763 -4.746 -1.002) 6.798 11.532 ( 4.418 -1.971 -1.785) 5.157 11.583 ( -3.438 2.244 0.668) 4.160 11.618 ( 1.091 2.147 -1.878) 3.054 11.748 ( -6.743 1.625 0.947) 7.000 11.788 ( 2.584 1.028 -2.514) 3.749 11.916 ( -2.866 6.634 1.145) 7.317 11.930 ( 2.715 5.805 -0.193) 6.411 12.120 ( 15.529 1.373 5.836) 16.646 12.240 ( -5.681 3.885 -2.996) 7.506 12.271 ( -12.838 3.773 -2.849) 13.681 12.305 ( 3.162 4.140 -3.393) 6.217 12.445 ( -2.258 1.058 3.797) 4.542 12.526 ( -6.337 3.381 -4.413) 8.430 12.606 ( -0.564 2.348 0.017) 2.415 12.628 ( -2.610 3.007 -2.475) 4.689 12.708 ( -0.574 7.343 -0.436) 7.378 12.745 ( 1.633 7.754 -4.265) 8.999 12.971 ( -0.656 1.235 1.256) 1.880 12.999 ( 3.859 1.941 -1.492) 4.570 13.380 ( 2.050 -3.141 3.578) 5.184 13.430 ( 0.107 -3.783 -1.845) 4.211 13.575 ( 4.116 0.061 0.630) 4.164 13.590 ( -4.983 -0.214 -0.527) 5.016 13.696 ( -5.622 -4.698 7.265) 10.318 13.724 ( 1.144 5.883 2.696) 6.572 13.757 ( 0.241 6.087 -0.446) 6.108 13.817 ( 4.522 -5.526 -5.070) 8.757 14.067 ( 0.514 -2.644 0.298) 2.710 14.080 ( -1.494 -2.772 -0.880) 3.270 14.166 ( -11.370 -6.400 2.391) 13.265 14.203 ( 7.716 -6.190 -1.647) 10.029 14.704 ( -0.204 -1.106 0.026) 1.125 14.708 ( 1.929 -1.350 -0.344) 2.380 14.891 ( -1.862 -1.121 0.622) 2.260 14.899 ( 5.229 -1.262 -0.078) 5.380 14.963 ( 12.738 -4.837 5.710) 14.773 15.054 ( -9.272 -4.376 -4.387) 11.152 15.585 ( 4.549 -2.182 2.378) 5.577 15.604 ( -4.040 -2.060 0.039) 4.535 15.970 ( -1.774 -3.714 6.250) 7.484 16.116 ( 1.921 -5.231 -8.834) 10.445 ======================= Grid point 86 (41/55) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 6.853 4.833 17.668) 19.557 1.116 ( 2.549 2.534 -15.690) 16.097 1.148 ( 2.240 15.941 14.107) 21.404 1.238 ( -5.475 18.414 10.578) 21.930 1.368 ( 3.591 14.901 -14.130) 20.847 1.459 ( -18.886 3.639 1.754) 19.313 1.488 ( 0.762 12.586 -9.519) 15.799 1.771 ( 2.790 4.641 7.292) 9.083 1.847 ( -0.044 3.115 -13.763) 14.111 1.974 ( 0.258 0.170 -1.448) 1.480 2.022 ( 1.322 -0.280 4.140) 4.355 2.044 ( -0.204 -0.054 -0.934) 0.957 2.064 ( 0.404 2.922 1.961) 3.542 2.106 ( 2.020 2.607 1.222) 3.517 2.131 ( -0.028 0.821 -0.960) 1.263 2.175 ( -1.755 3.640 1.899) 4.465 2.198 ( 2.013 6.744 -0.772) 7.080 2.232 ( -0.986 3.332 -1.328) 3.720 2.261 ( -0.894 2.019 3.608) 4.230 2.278 ( 0.805 6.397 -1.478) 6.615 2.296 ( 1.503 5.923 2.093) 6.459 2.337 ( -4.056 0.946 -1.082) 4.303 2.369 ( -4.524 2.502 -2.142) 5.596 2.392 ( 0.363 6.584 -3.816) 7.619 2.563 ( -8.777 -0.996 2.999) 9.328 2.587 ( -0.061 0.054 -4.041) 4.042 2.644 ( 3.492 -2.284 -0.561) 4.210 2.703 ( -1.664 -3.933 -1.297) 4.463 2.712 ( 0.820 -2.142 3.265) 3.990 2.741 ( -0.299 1.475 -0.899) 1.753 2.838 ( -1.649 1.126 3.235) 3.801 2.853 ( -0.493 0.838 0.454) 1.073 2.904 ( 1.301 -0.965 -0.129) 1.625 2.986 ( 0.067 -2.853 -2.929) 4.090 3.014 ( 2.293 -2.577 2.973) 4.554 3.101 ( -1.137 -0.984 -0.163) 1.512 3.141 ( 2.718 0.981 -2.225) 3.647 3.179 ( -2.323 -0.555 -1.013) 2.595 3.218 ( 2.692 1.061 -1.147) 3.113 3.251 ( 0.376 4.956 -3.106) 5.861 3.355 ( 3.147 -0.188 -3.038) 4.378 3.411 ( 2.953 8.904 -2.518) 9.713 3.432 ( 0.035 15.366 3.393) 15.736 3.448 ( -0.642 4.423 6.691) 8.046 3.489 ( 1.041 10.876 1.328) 11.007 3.513 ( -2.478 9.150 1.985) 9.685 3.555 ( 0.269 9.032 -2.635) 9.412 3.598 ( 0.192 9.444 2.582) 9.792 3.635 ( -1.747 12.771 1.565) 12.984 3.678 ( -2.729 5.221 1.194) 6.011 3.715 ( -3.164 2.886 -0.306) 4.293 3.794 ( 1.050 -0.387 -1.669) 2.010 4.065 ( 1.291 -0.823 -0.082) 1.533 4.079 ( 3.873 1.206 1.562) 4.347 4.225 ( -4.979 -2.513 -3.750) 6.721 4.274 ( -5.537 -0.224 -2.668) 6.150 4.443 ( 1.205 -2.649 -1.268) 3.174 4.560 ( 2.685 -0.865 0.070) 2.822 4.583 ( -0.600 -3.883 -1.254) 4.124 4.625 ( 2.893 0.568 0.794) 3.053 4.721 ( 2.513 1.931 1.658) 3.577 4.745 ( -3.514 2.202 2.214) 4.701 4.888 ( 2.284 -0.670 2.315) 3.320 4.969 ( -5.108 -5.515 -3.522) 8.301 5.164 ( 4.743 -0.891 -2.985) 5.675 5.235 ( -1.324 3.286 -3.970) 5.321 5.258 ( 1.744 -3.008 2.559) 4.317 5.499 ( 9.898 -2.551 1.788) 10.376 5.610 ( 5.485 0.997 6.709) 8.723 5.671 ( 0.109 -0.957 0.756) 1.225 5.794 ( -1.841 -3.446 -2.648) 4.719 5.896 ( 7.285 0.084 -2.124) 7.589 6.013 ( 6.428 -2.443 -2.984) 7.496 6.027 ( 4.590 -0.684 3.351) 5.724 6.158 ( -2.334 0.703 0.701) 2.537 6.185 ( 1.057 -0.447 -0.226) 1.169 6.229 ( -3.266 -4.166 1.257) 5.441 6.264 ( -2.940 -8.160 3.393) 9.313 6.439 ( 3.919 -0.066 8.079) 8.979 6.471 ( 2.533 2.058 -3.531) 4.809 6.621 ( -4.098 -0.428 3.823) 5.621 6.706 ( 2.103 5.737 2.932) 6.777 6.807 ( 1.291 0.720 -1.134) 1.863 6.834 ( 3.523 7.660 -0.266) 8.436 6.877 ( -0.167 13.294 0.722) 13.315 6.925 ( 0.376 14.349 -2.387) 14.551 6.985 ( -5.365 -4.291 1.756) 7.091 7.068 ( -4.739 -7.693 0.099) 9.036 7.213 ( -0.110 -6.536 -5.837) 8.763 7.296 ( 2.837 2.982 2.055) 4.601 7.327 ( 2.092 0.575 -1.976) 2.934 7.382 ( 3.748 1.376 0.988) 4.113 7.450 ( -3.016 2.387 2.071) 4.369 7.531 ( 0.341 5.849 4.021) 7.106 7.573 ( 0.933 0.638 5.902) 6.009 7.683 ( 2.004 -0.967 -7.256) 7.590 7.694 ( 1.933 -1.995 -3.723) 4.645 7.710 ( 0.293 -2.299 -0.341) 2.343 7.762 ( -1.743 1.910 1.845) 3.176 7.845 ( -1.811 -3.803 -2.425) 4.860 7.953 ( 4.266 -1.484 1.534) 4.770 7.959 ( 0.849 -6.891 -4.853) 8.470 8.031 ( 0.771 -1.807 3.964) 4.424 8.119 ( 3.203 -0.315 -2.124) 3.856 8.197 ( -2.350 6.458 0.003) 6.873 8.325 ( -1.774 -1.155 2.034) 2.935 8.366 ( -10.214 -2.938 -4.201) 11.428 8.399 ( 3.420 -1.978 2.176) 4.511 8.458 ( -1.080 1.286 -1.709) 2.396 8.499 ( -1.036 0.880 -0.239) 1.381 8.605 ( -1.000 -3.124 1.086) 3.456 8.620 ( -3.276 -4.038 0.672) 5.242 8.651 ( 0.342 -2.225 1.990) 3.005 8.667 ( 1.379 -0.673 -1.628) 2.237 8.705 ( 0.172 -2.054 4.596) 5.037 8.764 ( 1.701 8.562 1.034) 8.790 8.810 ( 2.740 4.693 -0.895) 5.507 8.847 ( -4.067 3.775 -0.599) 5.582 8.932 ( 3.036 1.702 -0.677) 3.546 8.943 ( -0.344 0.535 -0.604) 0.877 9.025 ( -6.007 2.458 -1.194) 6.599 9.050 ( 2.290 1.591 -3.780) 4.697 9.127 ( -0.293 -1.178 7.393) 7.492 9.205 ( 1.372 0.690 4.646) 4.893 9.279 ( -4.381 -4.069 -1.966) 6.294 9.301 ( 4.839 -0.563 4.242) 6.460 9.382 ( 1.333 0.974 -0.574) 1.748 9.401 ( 9.315 2.735 -0.762) 9.738 9.502 ( 1.638 1.461 -6.787) 7.133 9.594 ( 3.122 0.196 1.805) 3.611 9.666 ( 2.084 0.437 3.591) 4.175 9.763 ( 4.381 -1.680 -2.548) 5.339 9.864 ( 1.777 0.235 -4.409) 4.760 9.879 ( 2.362 -1.160 -3.969) 4.762 10.054 ( -0.593 10.427 0.353) 10.449 10.085 ( -2.539 3.360 0.668) 4.264 10.139 ( 3.483 9.974 -4.479) 11.475 10.209 ( 2.732 7.016 -1.525) 7.682 10.305 ( -1.902 1.865 5.321) 5.950 10.331 ( -5.742 2.549 1.602) 6.483 10.371 ( -5.951 -2.514 -3.175) 7.198 10.467 ( 0.327 4.643 -4.310) 6.344 10.721 ( -6.704 -1.321 3.503) 7.678 10.814 ( -12.140 2.686 -2.747) 12.733 10.919 ( -1.767 -1.073 10.451) 10.653 10.939 ( -8.126 -7.933 3.636) 11.924 11.066 ( -6.434 -4.025 3.911) 8.538 11.157 ( -1.982 -0.556 -4.406) 4.863 11.260 ( -8.254 1.615 1.217) 8.498 11.323 ( -10.172 0.699 -1.266) 10.275 11.390 ( 1.452 -2.730 1.500) 3.436 11.424 ( -1.335 -0.119 -0.677) 1.501 11.466 ( -5.378 -1.003 -1.679) 5.723 11.532 ( -2.820 -2.478 3.709) 5.277 11.611 ( -1.873 3.207 0.756) 3.790 11.699 ( -5.313 -1.119 2.466) 5.963 11.850 ( -3.027 4.730 -1.091) 5.720 11.930 ( -4.310 6.027 0.676) 7.441 12.071 ( 3.831 2.947 -2.851) 5.612 12.231 ( -3.094 -0.461 3.345) 4.580 12.340 ( 1.964 3.904 -1.727) 4.699 12.352 ( -2.167 3.806 -0.993) 4.491 12.394 ( -5.029 0.837 2.071) 5.502 12.512 ( -4.809 3.682 -2.371) 6.504 12.698 ( 10.913 6.028 1.988) 12.625 12.724 ( 10.607 -1.080 12.154) 16.168 12.803 ( 11.565 8.616 -2.697) 14.672 12.891 ( 7.086 2.806 -1.770) 7.824 12.994 ( 6.038 2.983 -0.265) 6.740 13.114 ( 6.380 0.784 -3.526) 7.331 13.403 ( -3.012 -2.075 1.760) 4.059 13.440 ( 2.416 -2.976 -3.435) 5.147 13.484 ( -4.246 -1.885 -0.834) 4.720 13.579 ( -6.267 -2.501 3.843) 7.765 13.664 ( 0.688 -1.138 2.155) 2.532 13.695 ( -2.854 5.204 -1.841) 6.214 13.732 ( -1.284 2.611 1.796) 3.419 13.793 ( -5.511 -3.623 -3.855) 7.640 13.938 ( -7.798 -3.269 6.254) 10.516 14.071 ( -0.576 -2.222 -1.092) 2.542 14.168 ( 5.338 -3.266 1.038) 6.344 14.344 ( 5.872 -6.862 -1.552) 9.164 14.565 ( -9.958 -3.573 -5.189) 11.784 14.672 ( -4.473 -1.781 -1.209) 4.964 14.784 ( 0.500 1.489 -0.362) 1.612 14.851 ( -2.450 1.632 0.537) 2.992 15.031 ( 3.871 -0.608 -2.398) 4.594 15.122 ( -2.316 -2.858 2.747) 4.591 15.762 ( 8.419 -4.311 3.460) 10.072 15.797 ( 16.744 -5.890 -7.733) 19.361 15.945 ( -3.740 -3.996 6.635) 8.601 16.099 ( 0.193 -5.219 -8.621) 10.080 ======================= Grid point 87 (42/55) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -18.133 4.863 6.121) 19.747 1.157 ( -6.140 19.617 10.811) 23.225 1.202 ( 13.117 2.145 -12.436) 18.202 1.241 ( 0.436 16.139 12.814) 20.612 1.374 ( 8.238 8.623 10.515) 15.899 1.384 ( 5.178 12.559 -6.668) 15.133 1.478 ( 2.237 12.537 -11.667) 17.271 1.701 ( -7.787 2.647 -16.730) 18.643 1.838 ( -0.711 2.735 8.757) 9.202 1.956 ( 0.816 1.176 -3.840) 4.098 2.012 ( -2.882 0.874 -0.064) 3.012 2.026 ( -0.209 1.703 -0.342) 1.749 2.072 ( 0.292 3.458 1.579) 3.813 2.110 ( -0.907 3.034 -0.682) 3.239 2.163 ( 0.089 4.056 1.330) 4.269 2.183 ( 2.417 0.168 1.488) 2.843 2.201 ( -1.230 1.726 0.408) 2.158 2.204 ( 1.095 2.600 -1.200) 3.066 2.242 ( -3.119 3.643 1.878) 5.150 2.258 ( -3.929 2.519 -1.358) 4.861 2.280 ( 0.587 5.819 -0.881) 5.915 2.305 ( 1.226 5.027 -0.659) 5.216 2.370 ( 1.881 3.569 0.650) 4.086 2.393 ( -0.436 4.326 -1.442) 4.581 2.472 ( -1.706 1.083 3.968) 4.453 2.585 ( 2.568 -0.263 -5.870) 6.413 2.654 ( -1.069 -4.554 -0.113) 4.680 2.663 ( 0.082 -4.957 -0.592) 4.993 2.756 ( -0.021 0.327 1.332) 1.371 2.761 ( 1.820 1.640 -0.258) 2.463 2.829 ( -0.521 2.548 1.650) 3.080 2.846 ( 3.012 0.821 0.783) 3.219 2.947 ( -0.897 -2.917 -1.962) 3.628 2.963 ( 1.036 -2.763 -2.151) 3.652 3.076 ( 0.908 -3.458 4.645) 5.862 3.108 ( 0.477 -4.070 0.107) 4.099 3.131 ( -0.769 -0.018 1.736) 1.899 3.162 ( -0.111 0.505 -0.133) 0.534 3.219 ( -2.186 4.304 0.051) 4.827 3.268 ( 0.640 1.686 -3.985) 4.374 3.330 ( -4.261 1.104 5.131) 6.760 3.408 ( -0.134 13.933 0.856) 13.960 3.459 ( 0.818 4.607 -0.628) 4.721 3.467 ( -1.385 14.907 1.584) 15.055 3.522 ( 2.446 8.032 -0.311) 8.402 3.535 ( 5.010 9.111 -1.947) 10.578 3.561 ( 0.716 5.597 2.591) 6.210 3.612 ( -1.022 13.076 0.810) 13.141 3.621 ( 0.860 8.275 -0.537) 8.337 3.641 ( 0.212 6.676 -2.919) 7.289 3.742 ( 4.264 4.166 0.126) 5.963 3.755 ( -2.686 0.211 -1.737) 3.206 4.056 ( -2.573 2.421 1.821) 3.974 4.120 ( -1.701 -0.585 -3.738) 4.148 4.158 ( 0.663 -1.508 -0.794) 1.828 4.166 ( 0.101 -0.688 -2.231) 2.337 4.476 ( 0.610 -2.527 1.324) 2.917 4.511 ( -3.208 -1.746 -1.155) 3.830 4.653 ( 4.876 -2.059 1.956) 5.643 4.693 ( -3.003 0.704 1.030) 3.252 4.730 ( 0.667 -2.450 -0.480) 2.584 4.800 ( 2.833 -0.540 -4.217) 5.109 4.868 ( 2.884 -1.565 2.639) 4.211 4.909 ( -1.564 -3.758 -3.463) 5.344 5.162 ( -0.971 3.159 -0.849) 3.412 5.231 ( 0.412 0.249 -7.240) 7.256 5.349 ( 6.073 -2.418 6.344) 9.109 5.436 ( -9.007 -2.411 -2.761) 9.725 5.640 ( -2.754 -2.003 5.059) 6.099 5.692 ( -1.653 -2.864 0.741) 3.389 5.901 ( 4.089 -1.377 5.356) 6.878 5.984 ( 0.387 -2.898 -3.037) 4.216 6.095 ( -1.113 -0.033 1.627) 1.972 6.110 ( -0.580 -0.031 0.853) 1.033 6.141 ( 1.854 -1.594 2.283) 3.346 6.167 ( -6.520 -6.871 3.018) 9.942 6.208 ( 1.776 -3.321 -1.528) 4.065 6.249 ( 5.591 -1.258 -2.647) 6.313 6.469 ( -3.280 2.643 4.161) 5.921 6.526 ( 2.726 2.803 -1.136) 4.071 6.638 ( 3.271 -4.132 7.556) 9.212 6.769 ( -1.832 3.121 -2.777) 4.561 6.809 ( 3.091 7.532 2.468) 8.507 6.848 ( -5.412 5.783 -2.107) 8.196 6.897 ( 0.526 11.158 -0.393) 11.178 6.948 ( 2.819 -1.536 3.570) 4.801 6.966 ( 3.046 7.589 -2.860) 8.663 7.019 ( 2.704 -4.735 -0.026) 5.452 7.204 ( -1.676 -2.977 -1.520) 3.739 7.238 ( -2.767 -2.958 -2.240) 4.629 7.357 ( 0.050 2.940 1.301) 3.216 7.405 ( -0.463 1.044 -3.229) 3.425 7.473 ( 1.911 0.668 3.342) 3.907 7.518 ( -2.636 2.713 0.102) 3.784 7.621 ( -1.038 -2.010 5.060) 5.542 7.650 ( 0.328 4.357 2.589) 5.079 7.708 ( 0.163 3.192 -4.242) 5.311 7.722 ( 0.442 -3.341 0.974) 3.508 7.758 ( 0.915 0.587 -3.488) 3.653 7.790 ( 0.496 -3.949 -5.145) 6.505 7.937 ( -2.088 1.204 1.320) 2.748 7.994 ( 0.761 -1.073 -2.072) 2.454 8.076 ( -7.437 -1.186 2.360) 7.892 8.136 ( 4.647 1.300 -1.208) 4.974 8.218 ( 1.746 4.484 3.901) 6.195 8.240 ( -2.405 -1.485 -0.773) 2.930 8.291 ( 5.000 -1.682 2.445) 5.814 8.377 ( -4.564 0.022 -4.624) 6.497 8.473 ( -3.222 -0.756 0.971) 3.449 8.516 ( 3.453 -2.748 -0.259) 4.421 8.566 ( -0.828 -2.149 0.654) 2.394 8.587 ( 0.370 -2.134 -0.997) 2.384 8.626 ( -1.910 -2.920 3.579) 4.998 8.682 ( 1.300 -0.287 -0.785) 1.546 8.718 ( -4.107 0.354 0.477) 4.150 8.772 ( 2.297 2.229 -2.255) 3.915 8.800 ( 1.201 4.879 2.773) 5.739 8.880 ( 2.361 -3.557 -3.105) 5.279 8.928 ( -2.128 3.837 2.787) 5.198 8.946 ( 1.614 2.115 0.485) 2.705 9.027 ( 2.738 4.676 4.955) 7.343 9.097 ( -3.370 0.205 1.183) 3.577 9.148 ( -4.523 0.331 3.556) 5.763 9.187 ( 4.899 -1.429 0.001) 5.103 9.277 ( 2.874 0.106 -4.070) 4.984 9.341 ( -1.836 -1.319 -5.610) 6.048 9.391 ( 1.364 0.674 4.010) 4.289 9.496 ( 0.933 1.896 -6.840) 7.159 9.637 ( 6.216 -0.199 3.754) 7.264 9.693 ( -0.379 0.159 3.016) 3.044 9.717 ( 6.485 -1.617 2.917) 7.292 9.804 ( -6.153 2.077 -3.122) 7.206 9.821 ( -9.500 -1.113 0.248) 9.568 9.846 ( 3.759 1.812 -3.345) 5.349 9.962 ( -1.039 -0.168 4.441) 4.564 10.016 ( -4.246 -3.477 -1.667) 5.736 10.105 ( -3.997 2.020 1.408) 4.694 10.177 ( 0.981 8.186 -5.318) 9.811 10.305 ( -1.220 5.020 2.426) 5.707 10.349 ( -0.072 6.952 -0.885) 7.009 10.369 ( 7.150 8.430 -0.428) 11.062 10.384 ( -8.133 7.547 -2.162) 11.304 10.563 ( 5.413 6.536 3.809) 9.302 10.606 ( -2.499 3.284 -0.734) 4.191 10.896 ( 5.488 -4.596 4.534) 8.473 10.915 ( -3.900 -4.214 3.363) 6.654 11.026 ( 1.073 -4.582 5.732) 7.417 11.094 ( -0.657 -1.113 -1.190) 1.757 11.225 ( 0.272 2.013 3.980) 4.468 11.280 ( 0.782 -0.569 -2.336) 2.528 11.385 ( -1.542 -0.659 -0.191) 1.688 11.434 ( -2.276 -5.327 0.356) 5.804 11.454 ( 0.628 -3.773 -2.991) 4.855 11.494 ( 4.453 -0.264 -3.973) 5.973 11.627 ( -1.755 0.993 1.313) 2.406 11.655 ( 3.487 2.029 -0.459) 4.060 11.828 ( -0.769 3.296 0.498) 3.421 11.838 ( 0.398 3.370 -0.306) 3.407 12.145 ( -5.487 2.343 2.604) 6.510 12.190 ( 6.676 1.744 -1.227) 7.008 12.264 ( -2.753 1.724 3.062) 4.464 12.338 ( 0.946 4.969 -4.437) 6.729 12.381 ( 0.939 2.446 2.597) 3.689 12.429 ( -1.066 5.330 -2.232) 5.876 12.826 ( -1.671 3.457 2.591) 4.632 12.847 ( 2.273 4.965 -1.105) 5.572 12.941 ( 1.168 2.358 5.290) 5.908 13.055 ( 5.291 -0.870 -5.303) 7.542 13.109 ( -3.640 1.146 3.918) 5.469 13.186 ( 4.098 3.755 -4.702) 7.281 13.344 ( -2.946 1.247 6.397) 7.152 13.446 ( -3.248 -1.188 -1.261) 3.681 13.459 ( -1.125 -1.797 -2.845) 3.548 13.474 ( 2.958 0.387 -1.599) 3.385 13.595 ( -0.691 -2.034 2.113) 3.013 13.653 ( -1.379 -3.539 -3.937) 5.470 13.722 ( -0.897 1.702 1.292) 2.317 13.729 ( 1.177 1.403 0.397) 1.874 13.900 ( 0.486 -2.910 7.931) 8.462 14.020 ( -0.457 -3.109 -4.628) 5.594 14.275 ( 2.245 -3.467 2.540) 4.848 14.341 ( -5.663 -4.168 -4.563) 8.382 14.536 ( 5.083 -2.962 -0.047) 5.883 14.543 ( -4.081 -3.038 -1.031) 5.191 14.812 ( 1.365 1.603 0.776) 2.244 14.829 ( -0.665 2.012 -0.970) 2.331 15.060 ( -4.117 -0.287 2.723) 4.944 15.102 ( 3.540 -0.928 -1.830) 4.092 15.859 ( -7.659 -4.533 7.309) 11.517 15.906 ( 3.079 -4.261 4.510) 6.926 16.018 ( 7.147 -5.763 -9.123) 12.943 16.030 ( -2.078 -6.528 -8.734) 11.100 ======================= Grid point 88 (43/55) ======================= q-point: (-0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -6.865 4.541 16.242) 18.208 1.094 ( -5.611 19.746 14.870) 25.348 1.299 ( -0.560 17.943 9.703) 20.406 1.367 ( 1.243 10.891 -13.834) 17.651 1.434 ( 0.073 8.012 -13.892) 16.037 1.459 ( -0.935 6.775 -14.506) 16.038 1.550 ( 16.153 4.177 -7.093) 18.129 1.597 ( 3.899 4.664 11.036) 12.599 1.762 ( -12.635 9.121 24.576) 29.100 1.944 ( 1.164 2.837 -10.771) 11.199 2.008 ( 3.346 -0.702 -2.029) 3.975 2.034 ( 0.322 1.514 2.691) 3.105 2.078 ( -1.079 2.424 0.452) 2.692 2.108 ( 1.570 1.624 0.996) 2.469 2.139 ( -3.349 -0.289 -2.992) 4.500 2.166 ( 0.331 5.470 -0.240) 5.486 2.203 ( 0.396 2.989 0.273) 3.027 2.220 ( 0.498 5.056 0.191) 5.084 2.241 ( 0.527 4.311 0.190) 4.347 2.250 ( 2.144 1.522 1.336) 2.949 2.301 ( -0.073 1.080 2.358) 2.595 2.340 ( 3.448 6.316 0.081) 7.196 2.370 ( 1.203 5.866 -1.930) 6.292 2.438 ( 3.095 1.293 -2.949) 4.467 2.482 ( 0.428 1.376 4.546) 4.769 2.634 ( 0.766 -3.568 0.430) 3.674 2.661 ( 4.855 -2.042 -5.104) 7.335 2.689 ( 1.719 -3.716 0.143) 4.097 2.731 ( -1.511 -0.146 0.698) 1.671 2.766 ( -0.733 0.646 -2.182) 2.391 2.843 ( 1.894 1.724 -0.082) 2.562 2.899 ( -0.552 -2.710 -0.356) 2.788 2.942 ( -0.315 -2.716 -1.233) 2.999 2.960 ( 3.364 1.440 -4.606) 5.883 3.050 ( -4.250 -3.563 2.089) 5.926 3.098 ( -2.538 -1.198 -0.489) 2.849 3.127 ( 1.497 -0.629 0.852) 1.834 3.167 ( -1.866 -0.504 -0.788) 2.087 3.184 ( 0.182 2.316 1.262) 2.644 3.234 ( -0.649 3.291 -0.908) 3.475 3.298 ( -1.422 -0.549 1.772) 2.337 3.399 ( -1.860 14.599 0.690) 14.733 3.456 ( -0.658 8.413 0.830) 8.479 3.469 ( -0.475 12.884 2.625) 13.157 3.523 ( -4.165 9.976 -2.682) 11.138 3.547 ( 1.145 14.717 -1.184) 14.809 3.586 ( 0.944 12.131 -0.849) 12.197 3.604 ( 0.616 6.351 -0.675) 6.416 3.651 ( 1.493 4.250 -1.859) 4.873 3.690 ( 0.176 1.801 0.908) 2.025 3.740 ( 4.349 0.637 -0.677) 4.447 3.793 ( 0.085 2.952 -2.563) 3.910 4.057 ( -2.559 0.852 0.358) 2.721 4.077 ( 1.536 2.913 5.764) 6.639 4.133 ( 2.120 0.007 -1.091) 2.384 4.260 ( 3.957 -2.512 0.660) 4.733 4.435 ( -3.471 -1.101 -0.012) 3.642 4.527 ( 2.888 -1.910 3.239) 4.741 4.572 ( -4.735 0.657 -1.094) 4.904 4.649 ( -3.068 -3.830 -2.701) 5.601 4.741 ( 1.074 -0.152 -0.158) 1.097 4.821 ( 0.055 -1.578 -5.063) 5.303 4.931 ( 5.121 -3.697 -0.510) 6.337 4.972 ( 3.771 -1.591 -3.086) 5.126 5.124 ( -3.674 0.825 -1.190) 3.949 5.195 ( 0.980 3.249 -1.476) 3.700 5.284 ( -4.063 -3.460 1.135) 5.456 5.469 ( -2.181 0.081 3.476) 4.104 5.621 ( -2.296 -3.598 6.127) 7.467 5.684 ( 0.334 -0.881 6.072) 6.144 5.799 ( -10.205 -4.769 -7.489) 13.527 5.853 ( -7.935 -0.311 1.091) 8.016 5.996 ( -6.134 -2.975 0.634) 6.846 6.090 ( -3.180 -0.127 -2.983) 4.362 6.125 ( 0.568 -1.591 2.862) 3.323 6.155 ( 1.032 -0.640 2.169) 2.485 6.260 ( 1.751 -3.670 -1.245) 4.253 6.316 ( 0.707 -4.973 -0.531) 5.051 6.404 ( -3.199 1.524 2.043) 4.090 6.563 ( -1.110 1.322 -3.031) 3.488 6.704 ( -1.230 -2.670 -5.624) 6.346 6.729 ( 0.664 -3.014 4.370) 5.350 6.752 ( -1.055 11.436 0.214) 11.487 6.836 ( -2.844 7.809 -0.527) 8.327 6.865 ( -0.624 7.063 3.467) 7.892 6.932 ( -1.290 2.064 -3.377) 4.162 7.018 ( 5.146 8.546 -5.365) 11.327 7.062 ( -0.805 -3.788 4.487) 5.927 7.150 ( 1.970 -4.986 -1.475) 5.561 7.293 ( -2.355 2.501 0.853) 3.540 7.323 ( -2.490 -0.171 0.152) 2.500 7.416 ( 1.969 -0.425 -0.910) 2.210 7.471 ( -0.235 1.924 3.729) 4.203 7.540 ( 3.708 0.556 -2.066) 4.280 7.587 ( -3.731 0.731 2.438) 4.517 7.656 ( -1.116 6.975 -3.905) 8.072 7.685 ( -0.681 -2.236 3.667) 4.349 7.734 ( 0.189 -1.695 -6.230) 6.459 7.768 ( 2.017 3.367 -2.648) 4.734 7.835 ( 3.099 -2.340 1.962) 4.351 7.876 ( -3.022 -1.271 2.906) 4.381 7.980 ( -1.955 0.101 5.852) 6.171 8.051 ( 1.470 -4.025 -3.908) 5.799 8.106 ( -3.338 -0.428 -2.511) 4.199 8.215 ( -1.824 2.498 -2.015) 3.691 8.284 ( 1.122 2.098 5.557) 6.045 8.319 ( 5.898 -4.587 0.522) 7.490 8.398 ( 2.369 -1.925 2.042) 3.673 8.426 ( -0.818 -2.005 1.036) 2.401 8.520 ( -0.812 -0.715 -1.447) 1.806 8.556 ( 0.577 -0.294 3.328) 3.391 8.608 ( 1.038 1.060 3.158) 3.490 8.648 ( -2.007 -1.224 0.376) 2.381 8.670 ( 1.659 -0.221 -1.171) 2.043 8.733 ( 2.382 -2.134 0.453) 3.230 8.797 ( 0.846 2.399 -2.605) 3.641 8.826 ( 0.897 5.798 0.571) 5.895 8.899 ( -0.573 5.189 -1.320) 5.385 8.912 ( -0.762 0.567 -1.418) 1.707 8.958 ( -5.102 0.026 -5.132) 7.237 9.000 ( 2.989 -2.289 6.226) 7.276 9.029 ( -1.809 1.268 0.457) 2.256 9.085 ( -1.510 2.787 3.232) 4.527 9.254 ( -3.206 -5.786 2.874) 7.212 9.277 ( 2.609 2.104 -1.938) 3.872 9.356 ( -0.913 -4.245 -3.330) 5.472 9.408 ( -3.114 2.372 3.229) 5.075 9.448 ( -0.908 1.436 -6.818) 7.027 9.516 ( -8.319 3.019 -8.885) 12.540 9.646 ( -2.923 -1.876 6.775) 7.614 9.659 ( -2.739 -2.702 -3.532) 5.223 9.753 ( 2.832 1.872 -4.956) 6.007 9.803 ( -5.770 0.348 -0.185) 5.784 9.860 ( 5.170 2.935 2.038) 6.284 10.016 ( -3.454 5.713 1.925) 6.948 10.043 ( 0.826 4.582 3.285) 5.698 10.100 ( 3.798 2.581 0.920) 4.683 10.188 ( -4.629 9.652 0.055) 10.705 10.264 ( 8.251 0.265 3.917) 9.137 10.319 ( -2.326 2.934 3.775) 5.317 10.380 ( 5.024 7.084 -1.203) 8.768 10.468 ( -0.216 6.397 -1.969) 6.697 10.660 ( 3.358 2.167 7.367) 8.381 10.818 ( 13.962 0.392 -2.378) 14.168 10.970 ( 6.107 -7.002 2.686) 9.671 11.047 ( 1.749 -4.881 2.202) 5.634 11.086 ( -0.131 -0.264 -4.043) 4.054 11.113 ( 2.746 -4.573 -1.584) 5.564 11.252 ( 2.550 -1.185 3.157) 4.228 11.299 ( 6.509 0.866 -0.487) 6.584 11.387 ( 3.059 -4.279 3.360) 6.242 11.427 ( 5.371 -1.098 -2.299) 5.944 11.515 ( 6.447 -0.929 -4.431) 7.878 11.589 ( 2.464 4.185 2.237) 5.347 11.643 ( 8.691 -2.184 -7.316) 11.569 11.737 ( 4.398 0.466 -0.818) 4.498 11.829 ( 1.975 3.186 0.969) 3.872 11.927 ( 3.861 4.818 1.217) 6.293 12.019 ( -5.975 4.256 2.012) 7.607 12.260 ( -0.753 3.373 4.552) 5.715 12.313 ( 3.602 1.094 -5.164) 6.390 12.373 ( 2.224 4.364 -1.729) 5.194 12.445 ( 4.254 0.285 -1.495) 4.518 12.466 ( 5.835 1.654 1.727) 6.306 12.735 ( -6.699 6.240 -1.513) 9.279 12.776 ( -9.525 7.043 -0.137) 11.846 12.891 ( -4.872 4.547 -1.141) 6.761 12.972 ( -7.460 0.824 -7.894) 10.893 12.979 ( -10.267 -0.203 -4.437) 11.186 13.076 ( -8.571 2.697 0.927) 9.033 13.374 ( -3.813 -1.846 2.965) 5.171 13.423 ( 1.568 -3.039 0.108) 3.421 13.451 ( 7.473 -1.600 2.645) 8.087 13.598 ( 7.654 2.645 2.055) 8.355 13.675 ( 0.001 -0.878 0.137) 0.889 13.692 ( 0.667 0.425 1.288) 1.512 13.715 ( 4.905 -2.240 0.114) 5.394 13.760 ( 2.098 1.407 -0.275) 2.541 14.028 ( 6.270 -3.102 3.169) 7.679 14.048 ( 4.947 -3.681 -3.688) 7.185 14.192 ( -5.521 -3.426 -1.944) 6.782 14.265 ( -0.351 -6.969 7.534) 10.269 14.484 ( 0.776 -2.952 1.621) 3.456 14.664 ( 4.225 -1.439 -0.175) 4.467 14.789 ( -2.119 1.940 -0.987) 3.038 14.853 ( 2.750 0.788 0.263) 2.873 14.988 ( -3.849 0.110 2.327) 4.499 15.156 ( 1.774 -3.168 -1.043) 3.778 15.674 ( -11.950 -3.538 5.283) 13.536 15.836 ( -11.860 -6.300 -5.264) 14.424 15.961 ( 0.064 -3.821 5.651) 6.822 16.100 ( 3.890 -5.545 -9.129) 11.368 ======================= Grid point 89 (44/55) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 2.303 10.551 14.854) 18.365 1.281 ( -2.941 5.973 -16.187) 17.503 1.405 ( -3.066 15.785 15.997) 22.682 1.640 ( -1.466 14.685 3.904) 15.265 1.659 ( 2.481 14.836 -11.371) 18.857 1.736 ( 1.581 12.339 -6.444) 14.010 1.805 ( -2.830 12.014 7.872) 14.640 1.879 ( 5.529 -0.049 -0.052) 5.529 1.912 ( -1.894 3.571 -1.178) 4.211 1.945 ( 0.324 0.123 -2.633) 2.656 1.992 ( -0.890 -2.284 -1.021) 2.656 2.027 ( 0.861 5.070 -6.530) 8.312 2.091 ( -1.193 9.443 5.891) 11.194 2.121 ( 0.157 0.507 0.423) 0.679 2.230 ( -0.317 2.859 4.075) 4.988 2.267 ( 0.965 1.823 1.060) 2.319 2.278 ( 1.141 0.023 1.194) 1.652 2.296 ( 1.254 3.339 0.680) 3.631 2.340 ( -1.189 7.590 2.828) 8.187 2.376 ( -0.160 7.226 1.574) 7.397 2.404 ( 0.948 9.877 -3.075) 10.388 2.462 ( -0.350 3.092 -3.661) 4.805 2.521 ( 2.904 2.612 3.685) 5.370 2.549 ( -0.911 7.870 0.023) 7.923 2.565 ( -0.525 1.881 0.358) 1.986 2.593 ( 0.769 4.814 -1.726) 5.172 2.614 ( 1.642 -3.556 0.511) 3.950 2.661 ( -1.757 -2.730 -1.967) 3.796 2.709 ( -3.734 -1.756 -0.048) 4.126 2.766 ( 4.150 0.979 -4.065) 5.891 2.857 ( -2.068 -1.105 2.668) 3.552 2.864 ( -0.048 -0.791 3.147) 3.246 2.895 ( -1.994 -1.432 2.202) 3.298 2.930 ( -1.923 -0.402 -1.183) 2.293 2.983 ( -0.995 -1.287 -2.826) 3.261 3.045 ( 3.671 -2.034 -5.964) 7.293 3.099 ( -1.977 -2.437 2.296) 3.888 3.161 ( 5.473 -1.526 -3.071) 6.459 3.236 ( 0.783 0.439 2.540) 2.694 3.277 ( -0.151 2.051 -1.552) 2.576 3.377 ( -0.788 2.507 1.582) 3.067 3.410 ( 0.772 2.888 -1.630) 3.405 3.441 ( -1.696 -0.923 2.552) 3.200 3.523 ( 1.150 -3.640 -3.388) 5.105 3.610 ( -3.664 0.894 -0.260) 3.780 3.652 ( 1.337 -0.072 -2.579) 2.906 3.700 ( -1.591 2.630 8.009) 8.579 3.791 ( -1.664 1.102 1.219) 2.338 3.811 ( 0.802 2.147 0.696) 2.395 3.829 ( 0.989 2.715 -2.610) 3.894 4.073 ( -0.640 29.151 1.871) 29.218 4.126 ( -1.088 31.457 -3.595) 31.680 4.191 ( -1.041 -1.153 2.411) 2.868 4.229 ( -0.672 10.585 -1.391) 10.697 4.292 ( -2.802 15.300 0.889) 15.579 4.307 ( 6.347 8.881 -0.479) 10.926 4.509 ( -1.456 0.295 1.089) 1.842 4.534 ( 5.335 12.963 5.650) 15.113 4.558 ( -0.143 1.618 -3.793) 4.126 4.612 ( -1.640 9.391 -1.363) 9.630 4.765 ( -0.515 3.160 2.922) 4.335 4.830 ( -1.603 4.705 -3.994) 6.376 4.864 ( -0.438 -3.575 2.121) 4.180 4.929 ( -0.264 -3.289 -4.121) 5.279 5.114 ( 4.362 -1.060 0.298) 4.499 5.132 ( -3.580 -1.237 -1.412) 4.042 5.307 ( 1.004 2.307 3.089) 3.984 5.380 ( -1.892 3.545 -4.200) 5.812 5.579 ( 5.036 -0.404 5.891) 7.761 5.646 ( -2.533 -2.554 0.200) 3.603 5.736 ( -3.462 -2.000 2.984) 4.989 5.774 ( 3.692 -0.113 -2.075) 4.237 5.910 ( 2.097 -0.043 3.041) 3.694 5.991 ( -1.779 -0.921 -5.019) 5.404 6.102 ( -0.674 -4.331 4.222) 6.086 6.159 ( -0.608 -4.447 1.934) 4.888 6.176 ( 0.538 -1.423 -0.987) 1.813 6.229 ( -1.539 -0.765 -2.844) 3.323 6.372 ( -1.329 0.151 4.275) 4.479 6.464 ( -0.583 -2.104 -5.353) 5.781 6.634 ( -2.799 -4.733 3.676) 6.614 6.651 ( 1.154 -5.452 2.025) 5.929 6.758 ( 1.021 -4.721 1.675) 5.112 6.833 ( -0.840 -5.119 -4.341) 6.764 6.974 ( 4.569 -4.166 5.198) 8.078 7.062 ( -1.913 4.502 -1.242) 5.047 7.109 ( -4.619 -2.712 -2.159) 5.775 7.140 ( 1.864 4.117 -1.054) 4.641 7.207 ( 5.734 -0.985 3.544) 6.813 7.266 ( 1.392 -1.474 2.086) 2.909 7.298 ( -5.492 -2.474 -3.367) 6.901 7.341 ( -2.012 0.351 -5.976) 6.315 7.494 ( 0.535 -1.804 7.696) 7.923 7.539 ( 0.252 6.145 2.903) 6.801 7.598 ( -2.927 -3.954 -2.923) 5.722 7.649 ( 2.121 -0.189 -4.870) 5.315 7.676 ( -1.535 0.855 -1.890) 2.580 7.699 ( 2.659 -5.083 0.867) 5.802 7.755 ( -4.769 5.081 -2.753) 7.493 7.824 ( 0.335 -1.476 -2.949) 3.315 7.848 ( -2.126 2.860 0.189) 3.568 7.908 ( 3.579 1.535 -3.280) 5.092 7.979 ( -0.709 1.115 6.707) 6.836 8.091 ( 0.909 0.331 -3.255) 3.396 8.199 ( -0.848 -5.362 5.201) 7.518 8.271 ( 1.560 -4.980 -0.589) 5.252 8.293 ( 2.244 -6.713 5.370) 8.884 8.386 ( 0.041 -8.264 -3.282) 8.892 8.449 ( -1.646 -3.725 2.230) 4.643 8.475 ( 1.529 -2.690 0.120) 3.097 8.504 ( 0.305 -4.519 -1.896) 4.910 8.526 ( -3.916 -5.309 -1.667) 6.804 8.604 ( -0.044 -2.025 3.731) 4.245 8.699 ( -1.695 -1.110 -3.123) 3.723 8.736 ( -2.717 -0.815 0.512) 2.882 8.771 ( 5.545 0.117 -3.350) 6.480 8.889 ( -1.287 9.672 6.638) 11.802 8.960 ( -0.427 3.860 0.735) 3.953 8.996 ( 1.718 1.665 -0.937) 2.569 9.010 ( 3.426 4.177 -0.392) 5.417 9.072 ( 1.579 -1.388 3.640) 4.203 9.126 ( 2.106 2.102 -4.059) 5.033 9.156 ( -2.499 3.511 3.855) 5.782 9.179 ( -2.063 1.979 -1.620) 3.286 9.234 ( -0.202 5.839 7.160) 9.241 9.359 ( 1.293 6.098 -4.835) 7.889 9.417 ( -1.264 2.635 5.197) 5.963 9.488 ( -1.397 2.173 -4.168) 4.904 9.576 ( 3.022 7.695 -6.224) 10.348 9.586 ( -3.522 6.852 -5.497) 9.465 9.657 ( -1.968 3.243 1.034) 3.932 9.689 ( 3.668 -0.782 -4.329) 5.727 9.818 ( 0.825 3.349 -0.200) 3.455 9.906 ( 2.101 6.628 -7.539) 10.256 10.200 ( -0.017 5.767 11.001) 12.421 10.230 ( 1.712 2.186 3.117) 4.174 10.271 ( 1.497 1.700 0.108) 2.268 10.335 ( 2.023 6.628 3.641) 7.828 10.356 ( 1.084 10.382 -3.663) 11.063 10.415 ( -2.826 8.117 -3.316) 9.212 10.507 ( -2.674 2.723 2.064) 4.339 10.558 ( -0.038 4.707 -2.300) 5.239 10.746 ( -3.574 -4.491 1.840) 6.028 10.764 ( -2.562 -8.727 1.637) 9.242 10.850 ( -2.291 -3.767 7.666) 8.843 10.931 ( 3.615 -0.116 3.180) 4.816 11.093 ( 1.213 -4.718 -2.092) 5.301 11.146 ( 2.210 -5.891 -6.199) 8.833 11.214 ( 1.752 -3.762 0.320) 4.162 11.261 ( -2.555 -6.035 -2.663) 7.074 11.430 ( -1.022 -3.060 1.519) 3.566 11.478 ( 3.447 -3.019 -2.459) 5.200 11.614 ( -4.231 1.153 0.602) 4.426 11.642 ( 1.535 0.254 -2.111) 2.623 11.756 ( -0.759 -0.558 -0.245) 0.973 11.773 ( -0.964 -2.065 -1.615) 2.793 12.046 ( 4.736 6.682 2.604) 8.594 12.082 ( -4.567 9.160 -1.552) 10.353 12.170 ( 12.537 3.394 8.852) 15.717 12.352 ( -6.194 7.949 -2.234) 10.322 12.367 ( -11.520 5.548 -5.528) 13.930 12.420 ( 5.300 8.332 -4.900) 11.023 12.495 ( -0.939 4.222 4.920) 6.551 12.595 ( -4.689 3.846 -5.656) 8.293 12.637 ( -1.761 1.115 -0.361) 2.116 12.657 ( 1.228 1.053 -2.739) 3.181 12.910 ( 1.107 12.125 0.998) 12.216 12.936 ( -2.271 10.440 -1.577) 10.800 13.013 ( -0.211 3.500 1.283) 3.734 13.056 ( 1.970 4.804 -3.004) 5.998 13.297 ( 1.285 -5.602 2.885) 6.431 13.332 ( 0.620 -6.293 -0.973) 6.398 13.538 ( -3.530 -7.787 6.617) 10.811 13.598 ( 0.421 1.460 -0.657) 1.655 13.624 ( -2.874 0.329 -0.718) 2.981 13.672 ( 4.078 -8.855 -4.724) 10.833 13.847 ( 1.112 4.812 2.718) 5.637 13.877 ( -0.080 4.216 -0.407) 4.236 14.004 ( 0.974 -5.350 0.736) 5.487 14.008 ( -5.200 -6.917 2.885) 9.121 14.020 ( -1.033 -3.407 -0.931) 3.680 14.050 ( 3.364 -6.997 -1.568) 7.921 14.617 ( 8.567 -7.436 3.983) 12.023 14.659 ( -2.342 -4.967 -1.224) 5.626 14.850 ( 5.147 -0.920 1.379) 5.408 14.872 ( -3.619 -1.420 -0.839) 3.977 14.946 ( -0.686 0.999 2.124) 2.445 14.993 ( -1.363 -1.039 -2.795) 3.278 15.538 ( 2.822 -2.396 2.054) 4.233 15.559 ( -2.549 -2.425 -0.296) 3.531 15.878 ( -1.544 -5.576 4.557) 7.365 15.987 ( 1.741 -7.919 -6.683) 10.507 ======================= Grid point 90 (45/55) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 8.549 8.755 8.011) 14.626 1.217 ( 4.679 8.303 -8.098) 12.507 1.467 ( 1.714 14.690 13.549) 20.058 1.558 ( -17.176 8.129 -1.360) 19.051 1.614 ( -4.303 18.401 6.107) 19.860 1.671 ( 3.483 15.546 -10.702) 19.193 1.735 ( 0.988 10.879 -6.835) 12.886 1.893 ( 0.914 6.182 4.317) 7.596 1.938 ( -0.777 4.937 -6.099) 7.885 1.974 ( 0.941 -3.604 0.400) 3.746 1.996 ( 1.846 1.339 -0.559) 2.349 2.013 ( 0.422 -0.279 -1.955) 2.019 2.116 ( 0.155 4.325 1.088) 4.463 2.130 ( 0.976 0.933 -0.236) 1.371 2.218 ( -2.648 2.802 2.383) 4.533 2.266 ( -0.709 2.079 -1.368) 2.588 2.282 ( -1.551 5.458 3.720) 6.785 2.315 ( -0.207 6.092 2.721) 6.675 2.332 ( 0.385 2.554 -0.903) 2.736 2.356 ( -1.828 6.714 -2.104) 7.270 2.414 ( 0.946 6.274 -0.510) 6.366 2.431 ( -1.778 5.206 1.189) 5.628 2.464 ( -2.988 6.709 -1.458) 7.488 2.548 ( -5.641 2.348 -0.580) 6.138 2.559 ( -1.957 4.773 -0.754) 5.213 2.593 ( -1.236 -0.089 1.145) 1.687 2.605 ( 0.233 0.296 -1.295) 1.349 2.629 ( -0.170 -0.140 -2.978) 2.986 2.684 ( 4.225 -1.012 2.173) 4.857 2.778 ( -0.137 1.383 -0.293) 1.421 2.817 ( -1.494 -2.020 1.394) 2.873 2.873 ( 1.723 0.894 -0.025) 1.942 2.891 ( -1.323 0.318 1.229) 1.834 2.941 ( 0.975 -1.605 -0.086) 1.880 2.965 ( 0.240 -2.676 0.489) 2.731 3.030 ( -3.110 -4.705 -0.766) 5.691 3.117 ( 3.827 -2.372 -4.729) 6.530 3.182 ( -1.828 0.436 -1.324) 2.299 3.254 ( -1.227 1.667 2.149) 2.984 3.312 ( 5.818 -1.665 -3.850) 7.172 3.347 ( -0.298 3.334 -1.998) 3.899 3.441 ( 0.326 -0.661 2.402) 2.512 3.465 ( -1.169 -1.233 1.921) 2.565 3.502 ( -4.557 0.210 6.475) 7.920 3.572 ( 3.448 0.956 -4.651) 5.868 3.676 ( 0.418 1.343 3.490) 3.763 3.698 ( 0.517 -0.681 0.933) 1.265 3.753 ( -2.679 4.446 -0.372) 5.204 3.816 ( -0.559 1.452 2.520) 2.962 3.845 ( 1.342 2.125 -3.110) 3.998 4.064 ( -4.229 12.797 0.514) 13.487 4.100 ( 0.105 33.316 2.794) 33.433 4.131 ( -0.442 9.321 -0.519) 9.345 4.194 ( 0.102 11.504 -1.506) 11.603 4.344 ( 3.939 13.519 2.703) 14.338 4.380 ( 0.028 18.313 -1.569) 18.380 4.474 ( -2.752 16.033 -1.541) 16.340 4.524 ( -0.310 0.298 -0.523) 0.678 4.571 ( 1.010 3.387 -1.894) 4.010 4.648 ( 2.767 2.909 -1.528) 4.296 4.746 ( 0.280 1.804 0.684) 1.949 4.789 ( -2.410 1.431 -1.533) 3.194 4.849 ( 0.138 -1.993 0.054) 1.998 4.910 ( -3.664 0.028 0.518) 3.701 5.121 ( 3.377 -3.274 0.170) 4.706 5.215 ( 3.876 -0.820 0.833) 4.049 5.292 ( -3.094 2.750 -3.487) 5.413 5.466 ( 7.312 -0.159 2.229) 7.646 5.614 ( 0.615 -1.256 0.196) 1.412 5.645 ( -3.543 -2.690 2.952) 5.339 5.729 ( 4.068 -2.112 -1.941) 4.977 5.889 ( 5.036 -1.659 -1.279) 5.454 5.972 ( 5.277 -0.958 -1.052) 5.465 6.016 ( 4.986 -0.190 1.453) 5.197 6.112 ( -1.658 -6.166 4.664) 7.907 6.155 ( 0.286 -2.971 -0.030) 2.985 6.176 ( -1.705 -0.054 -1.264) 2.124 6.192 ( -0.173 -0.085 1.705) 1.716 6.414 ( 3.127 -1.768 5.427) 6.508 6.481 ( 2.548 -1.078 -2.428) 3.681 6.564 ( -4.010 -4.887 3.025) 7.008 6.698 ( 2.053 -5.771 6.899) 9.226 6.736 ( -3.671 -9.524 -6.249) 11.968 6.828 ( 2.922 -3.550 1.136) 4.736 6.967 ( -6.732 -3.297 3.222) 8.159 7.027 ( 0.590 4.404 -3.566) 5.697 7.083 ( 1.832 -0.570 2.043) 2.803 7.112 ( -0.364 2.116 -1.950) 2.901 7.214 ( -1.051 5.911 -1.492) 6.186 7.308 ( 3.710 -4.999 -1.407) 6.382 7.359 ( 3.077 2.126 1.710) 4.112 7.429 ( 5.947 4.048 0.624) 7.221 7.498 ( -2.167 -2.196 4.675) 5.601 7.533 ( -0.707 -3.212 3.735) 4.976 7.584 ( -1.019 -1.475 -1.056) 2.081 7.627 ( 1.376 -3.768 -5.631) 6.914 7.671 ( 2.143 1.962 -0.825) 3.021 7.692 ( -1.210 1.197 4.803) 5.096 7.754 ( -2.499 -2.946 -0.508) 3.897 7.799 ( 1.245 3.032 -3.282) 4.639 7.868 ( 3.026 2.680 -0.488) 4.071 7.962 ( 3.002 1.015 -1.659) 3.577 8.014 ( 2.609 0.352 5.242) 5.866 8.096 ( 0.977 -1.795 -2.398) 3.151 8.214 ( 0.058 -4.579 0.458) 4.602 8.276 ( -2.514 -5.893 1.335) 6.544 8.293 ( -8.344 -4.049 0.344) 9.281 8.353 ( 2.742 -1.311 -0.364) 3.061 8.386 ( 2.258 -7.791 -2.736) 8.560 8.458 ( -2.949 -7.723 1.673) 8.435 8.500 ( 0.407 -3.690 0.065) 3.713 8.539 ( 0.148 -4.103 2.427) 4.769 8.602 ( -2.537 -0.694 2.192) 3.424 8.623 ( -1.996 -0.312 -2.082) 2.901 8.710 ( 1.997 1.598 -0.770) 2.671 8.856 ( -0.643 -0.675 -0.960) 1.338 8.921 ( -0.579 3.545 1.174) 3.779 8.957 ( -3.233 2.983 2.250) 4.941 9.005 ( -0.267 1.532 -2.321) 2.794 9.030 ( 3.058 4.666 -3.636) 6.660 9.044 ( 3.074 7.371 -2.634) 8.410 9.095 ( 0.414 -1.036 -1.642) 1.985 9.166 ( 0.299 5.875 2.122) 6.254 9.242 ( -2.490 9.957 3.389) 10.809 9.274 ( 5.165 0.569 1.117) 5.315 9.341 ( -0.467 6.261 -2.074) 6.612 9.409 ( -0.482 2.562 0.623) 2.680 9.501 ( 6.011 6.763 3.754) 9.796 9.531 ( 1.397 1.324 -5.274) 5.615 9.613 ( 2.031 0.521 -4.560) 5.019 9.728 ( 1.131 4.918 1.882) 5.386 9.793 ( 8.915 5.927 1.225) 10.776 9.848 ( -0.069 -0.635 -0.310) 0.710 9.907 ( 2.154 6.146 -9.594) 11.596 10.160 ( -6.516 4.841 1.305) 8.222 10.209 ( -7.963 7.297 1.468) 10.900 10.289 ( -0.373 -0.026 -3.481) 3.501 10.322 ( 0.638 2.714 3.699) 4.632 10.368 ( -0.546 7.919 -1.719) 8.122 10.381 ( -2.872 5.106 8.455) 10.286 10.449 ( 1.235 8.325 -3.912) 9.281 10.557 ( 2.533 3.577 -1.642) 4.681 10.672 ( -4.053 -3.463 1.511) 5.541 10.728 ( -6.271 -9.159 5.445) 12.363 10.809 ( -4.772 -4.922 6.810) 9.664 10.961 ( -5.083 3.636 3.449) 7.138 11.006 ( -4.798 -2.921 -2.836) 6.293 11.135 ( 0.009 -3.733 -7.509) 8.386 11.211 ( 0.787 -7.067 -2.576) 7.563 11.222 ( -4.030 -7.759 0.749) 8.775 11.337 ( -5.107 -2.171 1.114) 5.660 11.410 ( -7.506 -1.983 -6.787) 10.312 11.502 ( -3.973 4.149 0.793) 5.799 11.555 ( -4.600 3.698 3.910) 7.080 11.672 ( -1.311 1.991 2.181) 3.231 11.701 ( -4.011 1.330 1.132) 4.375 11.947 ( -5.650 5.729 -1.852) 8.257 12.029 ( -6.988 4.316 -0.194) 8.216 12.155 ( 0.866 5.477 -2.269) 5.991 12.269 ( -3.211 4.241 3.529) 6.384 12.381 ( -3.195 1.786 2.580) 4.478 12.463 ( -0.305 7.879 3.484) 8.621 12.490 ( -0.321 8.222 -4.473) 9.366 12.571 ( 0.655 3.107 -3.987) 5.097 12.699 ( 8.081 -1.342 10.148) 13.041 12.798 ( 8.855 1.964 -0.995) 9.124 12.972 ( 5.673 10.368 2.307) 12.041 13.026 ( 3.290 10.085 -2.101) 10.814 13.065 ( 8.368 4.524 -0.019) 9.513 13.129 ( 6.400 0.802 -0.888) 6.511 13.349 ( 2.244 -4.232 0.212) 4.794 13.375 ( 3.506 -3.216 -2.338) 5.301 13.434 ( -5.671 -5.942 5.428) 9.845 13.511 ( -5.851 -1.844 -2.084) 6.479 13.644 ( -2.862 -3.667 -1.829) 4.998 13.667 ( 0.332 -1.920 0.114) 1.952 13.768 ( -4.622 -0.854 1.444) 4.918 13.836 ( -6.200 3.031 -0.486) 6.919 13.891 ( -4.597 1.423 2.398) 5.376 14.027 ( -1.696 -1.822 -0.956) 2.667 14.078 ( 4.501 -5.926 1.062) 7.517 14.165 ( 8.354 -10.764 -1.739) 13.736 14.475 ( -7.712 -6.006 -4.682) 10.838 14.606 ( -6.704 -5.463 -0.298) 8.654 14.823 ( 1.778 2.650 0.236) 3.200 14.897 ( -1.106 3.060 -0.259) 3.264 15.013 ( 4.492 -1.251 -0.744) 4.722 15.082 ( 2.786 -0.714 0.904) 3.015 15.661 ( 8.614 -5.861 -0.122) 10.419 15.680 ( 10.546 -5.636 -1.397) 12.039 15.849 ( -3.457 -5.720 4.518) 8.067 15.972 ( -0.565 -7.697 -6.301) 9.963 ======================= Grid point 91 (46/55) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -16.732 11.298 3.457) 20.483 1.303 ( 12.352 8.464 -9.799) 17.895 1.474 ( 9.144 9.506 10.620) 16.934 1.533 ( -5.185 17.231 8.728) 19.999 1.625 ( 5.238 16.893 9.495) 20.074 1.673 ( -1.972 11.694 -9.861) 15.424 1.704 ( 0.767 11.481 -9.092) 14.665 1.813 ( -4.777 9.681 -9.693) 14.508 1.928 ( 0.495 5.065 4.220) 6.611 1.992 ( 2.002 2.421 -2.949) 4.309 2.024 ( 0.245 0.643 0.979) 1.197 2.044 ( 0.539 -0.730 0.256) 0.943 2.125 ( 1.200 3.132 1.860) 3.835 2.149 ( -1.009 0.540 -0.431) 1.223 2.162 ( -0.509 1.364 2.062) 2.524 2.226 ( -1.559 0.506 -3.548) 3.909 2.269 ( -1.151 6.452 3.545) 7.451 2.295 ( -2.543 3.875 0.243) 4.642 2.320 ( -0.474 4.489 -0.111) 4.515 2.341 ( 0.220 6.366 -1.713) 6.597 2.398 ( 0.122 3.461 1.679) 3.848 2.422 ( -1.296 7.455 -0.525) 7.585 2.457 ( 1.476 3.324 0.720) 3.708 2.469 ( -1.216 4.408 0.123) 4.574 2.528 ( -0.321 0.342 1.079) 1.176 2.580 ( 0.259 -1.686 -3.211) 3.636 2.586 ( 0.401 3.538 1.347) 3.807 2.626 ( 0.017 3.772 -3.260) 4.986 2.747 ( -0.623 -1.656 2.225) 2.842 2.795 ( 0.867 0.514 -1.986) 2.227 2.812 ( 0.472 -2.325 2.924) 3.766 2.857 ( -0.160 -1.640 -2.843) 3.286 2.892 ( 0.308 0.589 0.619) 0.909 2.950 ( 1.446 0.527 -3.660) 3.971 2.982 ( 0.399 -5.311 1.722) 5.597 2.998 ( 0.381 -6.629 -0.187) 6.642 3.117 ( -2.011 -0.372 2.950) 3.589 3.165 ( -0.718 -0.444 -0.368) 0.921 3.267 ( 0.219 -1.053 2.144) 2.398 3.314 ( -1.130 3.392 -1.732) 3.973 3.342 ( -5.203 1.689 4.339) 6.982 3.435 ( 4.066 -1.721 -1.046) 4.538 3.499 ( 4.296 -2.440 0.694) 4.990 3.502 ( 2.008 -0.446 -2.070) 2.919 3.617 ( 1.326 2.800 0.914) 3.230 3.671 ( -3.597 3.229 -3.378) 5.898 3.691 ( -2.077 1.321 2.936) 3.831 3.735 ( 2.540 1.260 -0.853) 2.961 3.809 ( -0.887 3.753 2.279) 4.479 3.847 ( 0.456 1.243 -2.491) 2.821 4.022 ( 0.203 9.034 1.624) 9.181 4.059 ( -0.478 10.501 -1.789) 10.664 4.202 ( 2.734 23.542 2.475) 23.829 4.249 ( 2.397 24.280 -2.109) 24.489 4.321 ( -1.773 23.688 1.795) 23.822 4.358 ( -2.576 24.943 -0.809) 25.089 4.452 ( 1.125 5.728 0.186) 5.840 4.470 ( -3.085 -1.098 -0.528) 3.317 4.634 ( 4.035 0.329 0.450) 4.074 4.681 ( -4.764 -1.399 -4.324) 6.584 4.734 ( 1.241 2.766 1.169) 3.249 4.792 ( 0.177 -0.252 -3.483) 3.496 4.840 ( 4.615 0.025 1.165) 4.759 4.861 ( -1.579 -0.285 -1.701) 2.339 5.183 ( -0.644 -1.265 0.021) 1.420 5.211 ( -0.165 -2.965 -1.606) 3.376 5.322 ( 5.929 0.754 3.486) 6.919 5.393 ( -8.960 -1.426 -2.896) 9.524 5.602 ( -2.096 -1.913 4.113) 4.997 5.633 ( -0.508 -2.424 1.475) 2.883 5.885 ( 4.833 -1.064 2.073) 5.365 5.929 ( -2.988 -3.666 -2.045) 5.152 6.036 ( -3.175 -3.979 2.030) 5.480 6.059 ( 2.873 -4.702 0.092) 5.512 6.104 ( 0.750 0.352 1.193) 1.452 6.135 ( -1.440 -1.586 -2.081) 2.987 6.161 ( -1.749 -0.547 3.632) 4.068 6.225 ( 3.692 -2.186 -2.180) 4.812 6.469 ( -2.470 -2.327 3.247) 4.696 6.515 ( 1.802 -3.351 -0.328) 3.820 6.530 ( 0.485 -6.153 5.919) 8.551 6.658 ( -0.893 -9.248 -6.693) 11.451 6.795 ( 1.819 -6.283 7.207) 9.733 6.890 ( -2.582 -5.541 1.762) 6.362 6.949 ( 4.171 -1.742 2.619) 5.224 7.033 ( 2.394 0.900 -2.044) 3.274 7.084 ( 1.247 11.064 0.857) 11.167 7.120 ( -0.741 6.528 -4.775) 8.122 7.216 ( 2.639 -0.891 1.265) 3.059 7.286 ( -4.222 -0.746 -5.259) 6.786 7.416 ( 1.164 2.373 2.267) 3.482 7.453 ( -3.373 1.881 -0.480) 3.892 7.473 ( -1.379 -1.579 5.036) 5.455 7.512 ( -2.189 -2.238 2.373) 3.929 7.551 ( -2.809 0.343 1.570) 3.236 7.645 ( 1.943 -3.212 -4.972) 6.230 7.673 ( 2.714 -2.903 -2.635) 4.768 7.703 ( 1.151 -2.910 0.415) 3.157 7.751 ( 1.413 3.133 1.719) 3.843 7.823 ( 1.502 3.887 -4.354) 6.027 7.907 ( -0.402 0.531 5.240) 5.282 7.994 ( 0.647 1.803 -2.722) 3.329 8.044 ( -5.527 -2.450 1.592) 6.252 8.107 ( 1.965 -3.333 -2.211) 4.456 8.218 ( 5.084 -3.234 3.156) 6.802 8.241 ( -2.297 -2.599 0.953) 3.597 8.285 ( 1.153 0.331 4.169) 4.338 8.360 ( -4.452 -3.113 0.988) 5.522 8.392 ( -1.649 -6.911 -0.311) 7.112 8.446 ( 5.720 -4.467 -3.577) 8.092 8.488 ( -2.246 0.361 -1.469) 2.708 8.509 ( 1.623 -4.572 -3.995) 6.284 8.589 ( -0.093 -3.462 1.924) 3.962 8.620 ( 1.539 -0.500 -1.039) 1.923 8.750 ( -2.495 -0.598 1.513) 2.978 8.788 ( 2.072 0.308 -1.835) 2.785 8.909 ( -2.088 6.446 2.864) 7.356 8.938 ( -0.516 0.187 2.432) 2.493 8.974 ( -0.649 1.080 -1.950) 2.322 9.011 ( -2.073 2.398 -4.787) 5.742 9.108 ( -0.048 0.574 3.683) 3.728 9.148 ( 0.205 5.220 2.468) 5.778 9.188 ( -1.431 8.611 2.549) 9.094 9.229 ( 2.586 6.790 -1.468) 7.413 9.293 ( -1.119 0.132 -5.415) 5.531 9.347 ( 0.733 6.101 -4.201) 7.444 9.429 ( 2.336 3.996 1.840) 4.981 9.522 ( -0.023 -0.008 -6.489) 6.489 9.618 ( 0.158 -1.022 2.643) 2.838 9.652 ( 6.720 -3.754 -0.036) 7.697 9.756 ( -1.406 4.616 3.161) 5.768 9.832 ( -1.040 6.179 -2.839) 6.879 9.910 ( -11.758 7.119 2.801) 14.028 9.955 ( 5.498 6.217 -2.296) 8.611 9.987 ( 5.352 4.773 3.196) 7.851 10.021 ( -3.718 5.470 -0.472) 6.631 10.172 ( -7.322 5.172 6.890) 11.307 10.319 ( -2.447 5.721 -2.356) 6.653 10.400 ( -1.340 5.001 4.577) 6.910 10.462 ( -0.214 1.387 1.680) 2.189 10.502 ( 4.292 4.354 -3.037) 6.827 10.524 ( 0.420 4.215 -3.504) 5.498 10.635 ( 1.123 0.502 -0.894) 1.521 10.666 ( 4.562 5.389 -3.360) 7.819 10.815 ( 6.386 -4.529 5.747) 9.712 10.856 ( -7.054 -1.176 0.860) 7.203 10.939 ( 0.691 -2.303 5.522) 6.022 11.064 ( -0.984 -2.740 -5.954) 6.628 11.216 ( 0.891 -3.603 -0.893) 3.818 11.232 ( -0.620 -5.177 -1.040) 5.317 11.267 ( 1.409 -7.375 -0.156) 7.510 11.298 ( -0.523 -9.479 -2.354) 9.781 11.473 ( -1.441 6.018 3.119) 6.930 11.552 ( 2.632 4.231 -2.736) 5.685 11.664 ( -0.177 2.910 1.417) 3.241 11.710 ( 2.765 3.258 -0.935) 4.375 11.889 ( -4.329 2.761 0.898) 5.213 11.904 ( 1.647 2.933 -0.050) 3.364 12.198 ( -3.258 2.951 0.515) 4.426 12.212 ( 4.568 1.134 -0.676) 4.755 12.346 ( -0.262 6.603 5.068) 8.328 12.447 ( -0.818 6.625 -5.014) 8.349 12.463 ( -1.480 6.449 4.353) 7.920 12.558 ( 1.110 7.806 -5.269) 9.483 12.825 ( -0.875 -2.533 7.668) 8.122 12.927 ( 4.577 -0.201 -3.373) 5.689 13.055 ( 0.966 8.359 1.025) 8.477 13.080 ( 0.866 5.279 -1.505) 5.557 13.156 ( -5.509 3.693 5.458) 8.589 13.247 ( 6.442 2.402 -4.363) 8.143 13.347 ( -5.486 -3.981 5.226) 8.559 13.389 ( 0.742 -1.546 -0.296) 1.740 13.435 ( 1.075 -0.218 -2.071) 2.343 13.477 ( 4.422 -2.430 -4.973) 7.085 13.572 ( -6.203 0.096 0.527) 6.226 13.585 ( 2.181 -1.116 -1.030) 2.657 13.744 ( -1.145 -0.887 3.121) 3.440 13.765 ( 1.713 1.509 0.139) 2.287 13.854 ( 0.011 0.040 4.162) 4.162 13.944 ( -1.977 -4.191 -4.468) 6.437 14.178 ( 1.802 -6.657 2.390) 7.299 14.229 ( -3.586 -7.444 -3.053) 8.808 14.447 ( -2.197 -6.431 -0.232) 6.799 14.453 ( 2.462 -6.471 -0.881) 6.979 14.859 ( 0.520 3.315 1.196) 3.563 14.884 ( -0.208 3.712 -1.471) 3.998 15.065 ( -2.899 0.999 1.588) 3.453 15.091 ( 2.341 0.067 -1.269) 2.664 15.750 ( -5.707 -6.426 5.426) 10.164 15.807 ( 2.600 -5.850 2.396) 6.836 15.876 ( 6.532 -8.401 -6.327) 12.380 15.893 ( -3.333 -7.490 -5.230) 9.724 ======================= Grid point 92 (47/55) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -6.475 13.066 10.856) 18.179 1.447 ( -7.042 16.405 13.067) 22.124 1.472 ( -8.049 4.383 -14.570) 17.213 1.590 ( 16.533 7.108 -5.464) 18.807 1.619 ( 2.220 11.905 5.149) 13.160 1.679 ( 0.457 13.859 -8.835) 16.442 1.757 ( 2.510 14.786 -7.120) 16.602 1.767 ( 1.838 14.197 7.659) 16.236 1.950 ( -0.694 -2.344 1.925) 3.112 1.991 ( -2.828 6.703 1.485) 7.425 2.023 ( 0.490 3.995 -3.563) 5.375 2.045 ( 0.101 -0.114 -2.649) 2.654 2.077 ( -0.958 2.041 1.327) 2.616 2.138 ( -1.548 3.297 0.744) 3.717 2.202 ( 0.688 3.574 3.567) 5.096 2.231 ( 2.175 -0.750 1.169) 2.580 2.250 ( -0.532 1.827 0.722) 2.035 2.283 ( 0.395 4.549 1.099) 4.697 2.333 ( 0.422 6.923 2.798) 7.479 2.352 ( 1.808 7.052 -0.199) 7.282 2.401 ( -0.051 8.460 -0.705) 8.489 2.453 ( 2.844 0.340 3.448) 4.483 2.468 ( 1.348 4.280 1.159) 4.634 2.485 ( 1.178 4.532 -0.980) 4.784 2.557 ( 2.428 3.990 -1.253) 4.836 2.590 ( 0.737 -2.157 0.885) 2.445 2.607 ( 0.454 3.376 0.193) 3.411 2.659 ( 5.924 0.498 -5.002) 7.769 2.708 ( -2.683 -2.091 1.407) 3.681 2.768 ( -2.522 -1.308 -0.911) 2.983 2.828 ( 0.133 -3.121 1.729) 3.570 2.863 ( 1.344 -0.053 -1.721) 2.185 2.911 ( 1.113 0.567 0.415) 1.316 2.972 ( 1.781 -0.987 -4.233) 4.697 3.006 ( 1.420 -1.857 -0.606) 2.415 3.031 ( -3.656 -3.973 1.316) 5.557 3.049 ( 1.406 -4.291 -0.402) 4.533 3.163 ( 1.144 0.329 0.339) 1.237 3.236 ( -4.826 -0.411 3.558) 6.010 3.294 ( -0.791 2.279 -0.982) 2.605 3.324 ( 2.286 4.682 0.270) 5.217 3.463 ( -2.620 -0.861 2.633) 3.813 3.489 ( -0.618 -2.320 -0.872) 2.554 3.548 ( -1.722 -1.090 -4.162) 4.634 3.618 ( -0.098 -0.975 -3.793) 3.918 3.657 ( 0.958 1.318 6.541) 6.741 3.720 ( 3.734 2.653 -2.544) 5.240 3.732 ( -0.321 0.900 -0.021) 0.955 3.818 ( 0.692 7.448 0.619) 7.506 3.832 ( -1.484 0.512 0.446) 1.632 4.075 ( 1.710 16.337 -0.371) 16.430 4.102 ( 6.864 9.135 1.191) 11.488 4.173 ( -2.590 16.174 -0.823) 16.400 4.194 ( -3.029 24.138 -4.359) 24.715 4.327 ( -2.903 19.165 3.486) 19.695 4.383 ( -1.425 20.739 0.413) 20.792 4.427 ( 1.551 6.482 1.366) 6.803 4.523 ( 5.554 6.847 1.369) 8.922 4.568 ( -3.850 -1.008 -2.200) 4.548 4.621 ( -3.997 2.069 -0.380) 4.516 4.728 ( 1.929 -0.639 2.302) 3.070 4.796 ( 0.638 -0.006 -2.826) 2.897 4.884 ( 3.947 -0.341 -2.691) 4.789 4.951 ( 3.369 -0.173 -2.755) 4.355 5.114 ( -4.483 -3.017 -0.215) 5.408 5.222 ( -2.023 0.519 1.034) 2.330 5.246 ( -0.221 0.673 0.670) 0.975 5.473 ( 0.502 0.382 2.172) 2.262 5.559 ( -3.625 -1.800 5.232) 6.615 5.625 ( 0.268 -4.657 3.921) 6.094 5.746 ( -5.851 -1.157 -2.815) 6.595 5.869 ( -5.311 0.080 0.691) 5.357 5.955 ( -6.477 -0.329 0.958) 6.555 6.064 ( -3.279 -2.367 -2.296) 4.650 6.102 ( -0.381 -1.510 3.150) 3.514 6.133 ( 1.177 -3.262 1.360) 3.725 6.182 ( 1.268 -2.262 -1.133) 2.830 6.257 ( 0.462 -1.965 -3.103) 3.702 6.410 ( -3.438 -0.953 2.731) 4.493 6.536 ( -1.384 -3.399 -4.319) 5.667 6.593 ( 2.303 -7.764 5.394) 9.730 6.615 ( 1.191 -7.072 -0.524) 7.190 6.807 ( -4.937 -3.544 -0.591) 6.106 6.860 ( -0.848 -5.454 -3.507) 6.540 6.887 ( 0.746 -4.252 4.024) 5.902 7.061 ( 0.741 5.783 1.016) 5.918 7.123 ( 2.351 2.069 -5.778) 6.572 7.156 ( -1.557 9.598 3.406) 10.302 7.173 ( -0.642 0.356 -6.249) 6.292 7.287 ( -1.994 -9.611 1.795) 9.978 7.367 ( -2.225 0.250 4.328) 4.873 7.402 ( -1.397 5.063 -0.675) 5.296 7.482 ( 0.658 -2.566 4.942) 5.607 7.502 ( -0.999 -1.812 2.440) 3.199 7.585 ( 4.172 1.982 -0.314) 4.629 7.677 ( -0.547 -0.460 -4.288) 4.347 7.683 ( -1.122 -0.280 -2.191) 2.478 7.745 ( 1.885 -2.255 0.791) 3.044 7.788 ( 1.801 1.736 -3.637) 4.414 7.826 ( 2.640 3.987 -7.255) 8.689 7.900 ( -3.025 3.653 1.820) 5.080 7.938 ( -4.361 -3.554 -0.214) 5.630 7.971 ( -3.553 0.489 3.502) 5.013 8.079 ( -1.249 -2.329 -0.932) 2.803 8.214 ( 2.938 -5.832 0.788) 6.578 8.236 ( -4.892 -4.128 4.950) 8.091 8.280 ( -1.820 -0.836 0.755) 2.140 8.355 ( 1.257 -4.964 1.399) 5.308 8.374 ( 5.010 -1.881 -2.784) 6.032 8.465 ( -0.173 -2.886 3.499) 4.539 8.519 ( 1.044 -3.574 -4.218) 5.627 8.584 ( -0.662 -3.158 1.207) 3.445 8.593 ( 3.425 -4.796 -1.492) 6.079 8.645 ( 1.362 0.019 -2.848) 3.157 8.735 ( 1.265 -0.910 -1.255) 2.001 8.817 ( -1.275 -2.951 2.115) 3.848 8.901 ( 0.363 5.275 3.878) 6.558 8.934 ( 0.327 -0.124 2.274) 2.301 8.967 ( -1.139 1.620 1.302) 2.370 8.987 ( 0.907 1.819 0.967) 2.251 9.036 ( -2.614 -0.098 -2.192) 3.413 9.109 ( -3.345 11.503 -0.810) 12.007 9.151 ( -0.764 5.878 4.678) 7.551 9.205 ( 0.205 0.717 1.254) 1.459 9.301 ( -3.660 2.988 -0.895) 4.809 9.361 ( 0.267 3.803 -1.825) 4.227 9.454 ( -1.625 3.625 -2.111) 4.499 9.500 ( 1.585 1.545 -5.678) 6.094 9.602 ( 1.446 -1.300 -3.031) 3.601 9.635 ( -3.758 4.297 -6.351) 8.539 9.718 ( -7.900 9.676 6.029) 13.871 9.785 ( -2.975 5.003 -3.254) 6.668 9.825 ( -2.492 0.184 0.290) 2.516 9.874 ( 3.672 3.487 -2.529) 5.660 10.124 ( 3.022 3.950 9.052) 10.328 10.170 ( 5.558 4.073 1.341) 7.020 10.183 ( -0.243 9.741 5.398) 11.139 10.274 ( 4.946 1.662 2.996) 6.016 10.384 ( -2.065 4.210 1.121) 4.821 10.412 ( -1.109 10.510 -1.439) 10.666 10.526 ( 5.358 7.506 -2.770) 9.629 10.584 ( -2.636 4.758 -4.149) 6.841 10.685 ( 1.071 0.222 3.499) 3.666 10.788 ( 7.688 -4.390 -0.087) 8.853 10.810 ( 4.341 -7.382 -0.610) 8.586 10.922 ( -4.473 -6.560 6.981) 10.572 11.049 ( 3.815 -2.730 -1.110) 4.821 11.092 ( 5.742 -3.269 -6.250) 9.094 11.189 ( -0.410 -2.904 -1.903) 3.496 11.272 ( 6.751 -5.297 -2.976) 9.083 11.293 ( 3.950 -3.362 5.149) 7.309 11.402 ( 5.207 -4.195 -4.885) 8.281 11.509 ( 6.363 3.397 0.128) 7.214 11.635 ( 7.336 0.931 -3.332) 8.111 11.668 ( 0.560 3.623 0.637) 3.721 11.754 ( 2.336 0.559 -3.515) 4.257 11.903 ( 5.291 4.444 2.805) 7.457 11.982 ( 3.157 1.925 3.610) 5.167 12.156 ( -0.995 8.948 -0.844) 9.043 12.336 ( 6.548 2.482 -2.174) 7.332 12.384 ( 0.473 8.366 3.990) 9.281 12.433 ( 1.957 3.213 -3.257) 4.976 12.487 ( 1.920 2.657 4.076) 5.230 12.555 ( 0.664 8.159 -3.847) 9.045 12.774 ( -5.631 -0.323 1.378) 5.807 12.916 ( -8.012 -3.085 -11.330) 14.215 12.970 ( -6.878 10.045 1.046) 12.219 13.010 ( -2.013 5.579 1.430) 6.101 13.075 ( -3.014 7.566 -1.931) 8.370 13.144 ( -12.915 5.354 -1.103) 14.024 13.317 ( -3.613 -4.753 2.871) 6.625 13.351 ( -2.431 -3.865 0.343) 4.578 13.428 ( 6.713 -1.300 3.053) 7.488 13.570 ( 7.099 -7.197 -5.335) 11.431 13.608 ( 2.961 -1.715 0.128) 3.425 13.678 ( 0.340 0.445 0.018) 0.561 13.757 ( 3.007 2.444 1.867) 4.301 13.831 ( 4.115 4.095 0.870) 5.871 13.932 ( 4.286 -5.544 -0.951) 7.072 13.982 ( 6.869 -3.445 3.557) 8.468 14.092 ( -6.530 -7.248 0.308) 9.760 14.121 ( -6.522 -6.348 1.827) 9.283 14.400 ( 1.733 -5.913 2.322) 6.584 14.606 ( 6.630 -5.180 -0.251) 8.418 14.834 ( -2.249 2.564 -0.828) 3.510 14.887 ( 0.993 2.879 0.607) 3.105 14.992 ( -4.062 0.123 1.391) 4.295 15.098 ( -2.394 -2.180 -0.667) 3.306 15.598 ( -8.719 -3.932 3.361) 10.138 15.713 ( -9.442 -6.140 -2.200) 11.476 15.868 ( 0.749 -5.659 4.062) 7.006 15.965 ( 3.696 -8.221 -6.814) 11.299 ======================= Grid point 93 (48/55) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.656 13.924 9.573) 16.910 1.425 ( -1.600 8.635 -11.182) 14.218 1.666 ( -3.337 10.375 12.532) 16.608 1.753 ( -0.890 -6.666 2.635) 7.223 1.801 ( 0.696 -2.132 -1.906) 2.943 1.857 ( -1.241 2.045 -0.269) 2.407 1.882 ( 2.503 7.247 -6.020) 9.748 1.912 ( 0.352 5.001 -5.199) 7.223 1.981 ( -3.084 1.723 -2.167) 4.145 1.989 ( 3.561 2.934 -2.318) 5.163 2.086 ( -2.478 3.757 1.394) 4.711 2.119 ( 0.830 1.844 -0.300) 2.045 2.162 ( 2.525 5.964 1.586) 6.668 2.201 ( -1.310 4.284 -0.321) 4.492 2.237 ( 0.542 1.966 -1.293) 2.414 2.252 ( 1.273 1.271 -3.542) 3.973 2.382 ( -0.669 3.837 2.164) 4.456 2.402 ( 0.727 1.188 -0.787) 1.599 2.435 ( 0.882 -2.765 2.043) 3.550 2.443 ( -1.429 4.911 2.381) 5.641 2.507 ( 2.924 2.727 5.926) 7.148 2.540 ( -1.670 5.162 3.087) 6.242 2.553 ( 0.672 0.685 3.218) 3.358 2.604 ( 2.422 4.696 0.869) 5.355 2.631 ( -2.848 -1.082 4.729) 5.625 2.636 ( -0.546 6.395 -3.383) 7.255 2.659 ( -1.139 3.407 -5.631) 6.679 2.715 ( -0.277 3.831 1.720) 4.208 2.725 ( -0.533 4.996 -3.268) 5.994 2.768 ( 3.546 -0.169 -5.202) 6.298 2.821 ( -3.222 -2.436 6.042) 7.267 2.878 ( 2.065 2.483 3.805) 4.991 2.908 ( -1.037 0.480 -1.097) 1.584 2.926 ( -1.247 -0.336 -0.513) 1.390 2.957 ( 2.930 -1.084 -3.259) 4.515 2.991 ( -0.522 -0.882 -3.518) 3.664 3.087 ( -1.622 0.841 1.199) 2.186 3.134 ( 3.789 -0.806 -2.022) 4.370 3.244 ( 0.723 -0.304 3.311) 3.403 3.306 ( -0.378 0.362 -2.440) 2.496 3.364 ( -0.047 -3.476 3.092) 4.653 3.392 ( -0.148 -3.620 1.054) 3.774 3.430 ( -1.961 -1.757 -2.702) 3.772 3.450 ( 1.167 -2.525 -3.187) 4.230 3.615 ( -1.277 0.610 1.118) 1.803 3.648 ( 2.077 -0.114 -0.769) 2.218 3.763 ( 0.720 1.105 3.988) 4.200 3.780 ( -1.576 -1.373 1.365) 2.496 3.821 ( -3.519 2.421 0.391) 4.290 3.872 ( 0.891 4.085 -2.518) 4.881 4.103 ( -1.788 -4.224 3.571) 5.812 4.174 ( 1.231 -4.784 -3.576) 6.098 4.354 ( 2.771 3.315 1.287) 4.508 4.378 ( -0.883 1.529 -1.677) 2.435 4.509 ( -0.952 2.657 2.837) 4.002 4.555 ( 0.278 3.296 -1.954) 3.841 4.675 ( 1.371 2.971 1.013) 3.425 4.703 ( -1.112 4.831 -1.239) 5.110 4.768 ( -0.933 -5.207 2.667) 5.925 4.827 ( 1.918 -1.844 -3.250) 4.200 4.886 ( -1.314 23.947 0.744) 23.994 4.906 ( 0.756 29.353 -1.587) 29.405 5.104 ( -0.626 14.919 2.043) 15.071 5.110 ( 5.130 1.536 1.488) 5.558 5.168 ( -2.023 22.698 -0.125) 22.788 5.198 ( -1.012 13.952 -2.958) 14.298 5.417 ( -0.492 11.737 4.728) 12.663 5.497 ( -0.700 9.514 -3.509) 10.165 5.562 ( 2.579 2.099 3.509) 4.834 5.584 ( 1.045 0.029 1.485) 1.816 5.704 ( -3.770 -1.846 2.097) 4.692 5.760 ( 2.423 -2.862 -3.657) 5.238 5.917 ( -0.153 -0.308 2.417) 2.441 5.972 ( -0.085 -1.583 -3.001) 3.394 6.044 ( -0.297 -1.456 3.525) 3.826 6.097 ( -1.200 -1.492 -1.392) 2.367 6.154 ( 0.204 -1.743 3.689) 4.086 6.225 ( -0.215 -0.263 -3.106) 3.125 6.367 ( -0.902 -0.664 1.981) 2.275 6.414 ( -0.372 -2.557 -2.625) 3.684 6.543 ( 2.244 -4.792 3.170) 6.169 6.552 ( -0.341 -3.938 3.034) 4.983 6.652 ( -0.279 -5.672 -1.398) 5.848 6.680 ( -0.268 -9.863 -3.853) 10.593 6.866 ( -0.220 -7.438 3.049) 8.042 6.933 ( -1.917 -11.709 -2.213) 12.070 6.968 ( -3.270 -14.610 0.925) 15.000 7.012 ( 5.945 -13.856 0.240) 15.080 7.067 ( 3.815 -13.246 2.804) 14.067 7.186 ( -4.457 -13.466 -5.719) 15.294 7.223 ( -1.316 0.841 1.382) 2.085 7.282 ( -3.322 -1.130 -4.290) 5.542 7.495 ( -1.142 -1.575 3.455) 3.965 7.500 ( 0.832 2.043 3.619) 4.238 7.618 ( -2.849 -1.982 1.127) 3.650 7.668 ( -0.427 -0.223 -2.642) 2.686 7.691 ( -2.960 2.118 4.103) 5.484 7.765 ( 3.334 -0.882 -0.591) 3.499 7.795 ( 0.971 3.627 -6.283) 7.319 7.812 ( -2.033 2.769 -4.609) 5.748 7.979 ( -1.501 4.145 2.401) 5.020 8.015 ( 0.387 8.178 -0.147) 8.188 8.060 ( 1.218 6.765 0.754) 6.914 8.093 ( -2.660 -0.008 -1.916) 3.278 8.129 ( 1.894 -1.871 4.766) 5.459 8.191 ( 2.058 0.258 5.464) 5.845 8.225 ( 0.292 -0.619 -2.109) 2.217 8.241 ( 0.544 -2.226 -0.214) 2.302 8.362 ( -2.607 -2.785 0.521) 3.850 8.403 ( -2.651 -4.064 -1.140) 4.985 8.441 ( -0.515 -0.357 0.058) 0.629 8.469 ( 0.937 -1.941 -1.784) 2.798 8.589 ( 1.270 -1.027 2.579) 3.052 8.643 ( -2.094 -4.090 -0.042) 4.595 8.747 ( 2.376 1.231 -3.377) 4.309 8.768 ( 4.392 -1.135 -3.159) 5.528 8.940 ( -1.040 -3.211 1.872) 3.859 8.948 ( 1.508 -3.463 2.690) 4.637 8.981 ( 0.697 -4.731 -1.144) 4.917 9.008 ( 1.794 -2.406 -2.656) 4.008 9.080 ( 1.617 4.373 3.087) 5.592 9.152 ( -1.060 1.556 -3.531) 4.001 9.269 ( 0.872 3.935 1.691) 4.370 9.298 ( -0.385 6.041 -1.869) 6.335 9.418 ( 0.142 12.208 3.466) 12.691 9.448 ( -1.034 0.886 5.031) 5.212 9.495 ( 0.069 6.602 -2.804) 7.173 9.534 ( 2.662 3.324 -4.490) 6.188 9.638 ( 0.465 3.081 -2.034) 3.721 9.664 ( 1.104 1.794 -2.500) 3.269 9.692 ( -4.458 4.321 2.896) 6.851 9.824 ( 1.940 9.510 -6.024) 11.423 9.968 ( 1.211 5.296 4.443) 7.018 10.073 ( 0.213 5.529 -5.209) 7.599 10.180 ( 0.423 -1.692 6.037) 6.284 10.269 ( 2.427 3.988 -1.243) 4.831 10.342 ( 0.390 5.027 8.968) 10.288 10.427 ( -1.109 4.684 6.384) 7.995 10.507 ( -2.594 0.156 1.504) 3.003 10.550 ( -3.689 -0.515 -0.755) 3.800 10.562 ( -0.238 7.897 -4.837) 9.264 10.613 ( 2.138 1.959 1.165) 3.125 10.648 ( -5.751 -3.034 1.256) 6.623 10.669 ( -0.548 -0.989 1.453) 1.841 10.779 ( -2.094 -0.302 6.324) 6.669 10.909 ( 5.736 -6.706 -2.130) 9.078 10.947 ( 1.676 -12.512 -4.710) 13.474 10.984 ( 0.065 -4.786 -8.739) 9.964 11.171 ( -1.171 -0.306 1.949) 2.294 11.235 ( -1.684 0.407 -1.249) 2.135 11.388 ( 0.968 -1.268 0.625) 1.714 11.428 ( 3.993 -2.324 -2.425) 5.218 11.634 ( 2.125 0.950 -0.921) 2.503 11.644 ( -3.141 0.899 -2.042) 3.853 11.720 ( -1.102 -2.717 -0.216) 2.939 11.735 ( -0.732 -2.189 -2.224) 3.205 12.156 ( 5.835 4.810 6.177) 9.764 12.215 ( 9.170 1.961 9.708) 13.498 12.263 ( -6.599 8.668 -4.609) 11.829 12.430 ( -10.794 1.509 -11.664) 15.963 12.521 ( -3.731 6.677 1.266) 7.753 12.566 ( 3.335 5.088 -4.207) 7.397 12.624 ( 1.492 9.651 4.953) 10.950 12.644 ( -3.286 1.667 0.702) 3.751 12.648 ( 3.198 -0.520 -0.473) 3.275 12.731 ( -2.133 9.450 -4.428) 10.652 13.055 ( 0.866 1.216 0.438) 1.556 13.060 ( 0.558 2.288 -0.482) 2.404 13.128 ( 1.948 1.560 1.379) 2.852 13.147 ( -3.546 -1.261 -0.358) 3.780 13.228 ( -3.211 4.915 2.250) 6.288 13.253 ( 2.845 3.483 -0.495) 4.524 13.379 ( -1.813 -5.952 4.044) 7.421 13.465 ( 1.472 -9.814 -4.538) 10.912 13.642 ( 0.312 0.467 0.232) 0.608 13.667 ( -0.684 1.661 -2.469) 3.053 13.755 ( 2.728 -11.183 1.686) 11.634 13.790 ( -3.537 -8.120 -2.124) 9.108 13.864 ( 1.119 -4.795 2.072) 5.342 13.904 ( -1.573 -5.610 -2.032) 6.170 14.104 ( -0.277 9.855 2.352) 10.135 14.125 ( 2.382 8.737 0.167) 9.058 14.460 ( 8.900 -8.867 4.494) 13.343 14.516 ( -4.482 -9.699 -1.809) 10.836 14.851 ( 0.196 0.502 0.244) 0.591 14.858 ( -0.726 -0.123 -0.426) 0.851 14.972 ( 0.419 1.527 1.172) 1.970 14.997 ( -0.434 0.499 -1.476) 1.617 15.508 ( 0.999 -0.562 1.479) 1.871 15.525 ( -1.348 -1.025 -0.307) 1.721 15.780 ( -0.938 -4.152 2.278) 4.827 15.841 ( 1.370 -6.952 -4.003) 8.138 ======================= Grid point 94 (49/55) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 8.758 11.121 6.928) 15.760 1.404 ( 4.519 10.961 -6.643) 13.590 1.647 ( -7.566 6.333 6.418) 11.770 1.771 ( -2.310 8.576 3.683) 9.615 1.792 ( 1.347 -1.455 2.405) 3.117 1.828 ( 2.310 -5.477 -1.588) 6.153 1.891 ( -0.802 4.663 0.268) 4.739 1.912 ( 0.989 7.119 -3.259) 7.891 1.921 ( 0.313 5.203 -2.742) 5.890 1.994 ( -0.115 0.607 -1.613) 1.728 2.063 ( -0.419 2.495 -0.637) 2.609 2.123 ( -0.245 0.640 0.628) 0.929 2.153 ( -1.992 7.209 -2.073) 7.761 2.222 ( 2.044 1.497 1.200) 2.803 2.245 ( 0.997 4.605 -2.252) 5.222 2.273 ( 0.848 1.046 -1.716) 2.181 2.358 ( -2.242 0.174 0.304) 2.270 2.369 ( -3.837 -1.498 0.813) 4.198 2.404 ( -2.679 3.375 1.407) 4.533 2.443 ( -1.245 3.461 0.591) 3.725 2.473 ( -4.026 2.946 3.094) 5.871 2.503 ( -2.924 3.407 1.146) 4.634 2.554 ( -1.888 0.350 -4.498) 4.891 2.578 ( -3.499 1.441 -1.648) 4.127 2.628 ( -0.401 3.273 3.074) 4.508 2.636 ( 0.837 4.659 -1.097) 4.859 2.660 ( 2.328 5.493 1.198) 6.085 2.702 ( 0.432 5.006 -0.071) 5.025 2.734 ( 1.034 1.695 -0.672) 2.096 2.759 ( -2.612 -2.041 3.823) 5.060 2.779 ( -0.779 -0.709 -4.534) 4.655 2.887 ( -0.420 -0.646 -1.183) 1.412 2.908 ( -1.405 -2.132 4.056) 4.793 2.920 ( -0.285 1.760 -3.936) 4.321 2.951 ( 0.460 2.974 1.346) 3.297 2.980 ( -1.498 0.365 -2.571) 2.998 3.097 ( 4.417 0.763 -2.655) 5.210 3.178 ( -1.328 -0.839 -0.492) 1.646 3.266 ( -2.102 -0.724 2.032) 3.012 3.272 ( 1.638 -1.844 -1.918) 3.125 3.393 ( 1.994 -1.447 0.123) 2.467 3.402 ( 0.529 -1.987 3.017) 3.651 3.408 ( -1.303 -3.234 -0.632) 3.544 3.471 ( -0.767 -2.654 1.361) 3.080 3.600 ( 2.270 1.480 0.176) 2.716 3.669 ( 1.773 -1.935 -1.479) 3.012 3.719 ( -3.042 3.437 2.972) 5.468 3.787 ( 0.289 -1.621 0.757) 1.812 3.834 ( 0.308 2.919 1.843) 3.466 3.855 ( -0.880 1.957 -2.216) 3.084 4.034 ( -3.412 -3.481 1.445) 5.084 4.105 ( -4.483 -4.406 -1.426) 6.446 4.365 ( 0.925 3.133 1.204) 3.482 4.458 ( 0.746 -0.881 -1.981) 2.293 4.560 ( 5.579 7.482 1.173) 9.406 4.588 ( 3.889 0.176 -1.466) 4.160 4.686 ( 0.684 3.944 -1.855) 4.412 4.708 ( -0.041 -1.130 0.304) 1.171 4.758 ( 2.715 5.156 1.367) 5.986 4.831 ( 0.184 2.403 -1.163) 2.675 4.891 ( 0.897 26.127 -0.459) 26.147 4.917 ( -2.036 16.897 -0.310) 17.022 5.046 ( -5.198 14.125 -1.742) 15.152 5.114 ( 1.007 10.879 -1.770) 11.068 5.152 ( -2.147 27.243 0.510) 27.333 5.228 ( 2.137 4.254 1.757) 5.074 5.436 ( -2.169 16.734 -0.629) 16.886 5.510 ( -0.443 4.722 0.672) 4.790 5.568 ( 2.039 -1.655 0.054) 2.627 5.591 ( 0.300 -0.053 0.651) 0.719 5.700 ( 2.316 -2.036 0.052) 3.085 5.850 ( 4.445 -1.729 -1.219) 4.923 5.939 ( 2.997 -4.100 1.381) 5.263 5.998 ( 0.702 -3.439 0.543) 3.552 6.061 ( 1.665 1.004 0.717) 2.073 6.095 ( 0.776 -3.261 0.596) 3.404 6.165 ( -1.134 -1.153 4.088) 4.396 6.206 ( -0.366 1.656 -3.341) 3.747 6.388 ( 1.498 -1.097 3.892) 4.312 6.420 ( 0.387 -5.536 -1.991) 5.896 6.478 ( -4.228 -3.390 -0.318) 5.429 6.560 ( -3.646 -7.304 -5.080) 9.615 6.576 ( 0.379 -6.646 6.384) 9.224 6.759 ( 5.038 -5.558 -1.069) 7.577 6.809 ( -4.116 -9.984 2.892) 11.179 6.947 ( 1.576 -10.553 3.188) 11.136 6.963 ( 3.319 -9.909 -1.195) 10.518 7.069 ( -0.635 -14.383 -3.788) 14.887 7.095 ( 2.694 -11.272 -4.469) 12.421 7.235 ( 5.093 -8.720 4.993) 11.266 7.276 ( 3.145 -6.114 2.739) 7.401 7.329 ( 5.918 -1.428 4.758) 7.727 7.478 ( 0.387 0.562 2.057) 2.168 7.510 ( -1.828 1.526 6.954) 7.351 7.544 ( -3.278 -0.328 -0.167) 3.299 7.647 ( -1.851 -0.357 0.580) 1.972 7.660 ( -1.972 -2.144 0.733) 3.004 7.743 ( -2.967 1.555 -5.634) 6.555 7.836 ( 3.619 5.935 -2.127) 7.270 7.867 ( 5.084 0.679 1.350) 5.303 7.970 ( -1.470 3.498 2.983) 4.827 8.026 ( -0.749 3.965 1.954) 4.483 8.034 ( -0.965 0.098 -0.967) 1.370 8.080 ( -0.072 1.630 -1.443) 2.178 8.150 ( -0.157 2.490 -1.026) 2.698 8.178 ( -1.159 -0.249 4.477) 4.632 8.252 ( -0.720 -1.676 0.968) 2.065 8.260 ( 2.144 -2.389 -1.081) 3.387 8.314 ( -2.290 -1.219 4.747) 5.410 8.419 ( 6.631 1.281 -1.856) 7.004 8.434 ( -0.303 -0.819 -2.365) 2.521 8.479 ( 0.329 -0.931 0.771) 1.253 8.598 ( -1.541 -0.884 2.064) 2.723 8.623 ( 0.146 -1.104 -2.814) 3.026 8.745 ( -0.336 1.895 -3.526) 4.017 8.828 ( 2.744 -2.326 -5.877) 6.890 8.900 ( -2.515 -5.084 -1.326) 5.825 8.933 ( -1.589 -1.809 -0.058) 2.408 8.962 ( -1.568 -4.476 -0.844) 4.817 9.025 ( 0.688 -3.404 -3.256) 4.761 9.115 ( 1.092 2.954 -0.785) 3.246 9.171 ( 3.118 0.794 -3.925) 5.075 9.283 ( -0.127 5.152 -0.284) 5.161 9.342 ( 4.208 5.365 -0.504) 6.837 9.432 ( -1.195 1.269 3.229) 3.670 9.465 ( 3.137 12.056 1.009) 12.498 9.531 ( 0.527 2.482 -2.646) 3.666 9.573 ( 2.963 6.387 -2.896) 7.612 9.619 ( -0.154 8.784 -5.606) 10.422 9.647 ( 1.423 6.081 3.712) 7.266 9.757 ( 3.978 0.533 3.101) 5.072 9.918 ( 7.031 6.337 0.062) 9.465 9.981 ( -1.200 8.796 -0.494) 8.891 10.074 ( 2.604 6.043 -3.241) 7.335 10.200 ( -0.792 0.215 0.633) 1.036 10.279 ( -1.318 1.488 -2.455) 3.159 10.328 ( -7.471 3.605 6.572) 10.584 10.355 ( -4.131 -1.577 2.654) 5.157 10.437 ( -6.678 2.321 10.192) 12.404 10.465 ( -3.447 0.601 1.949) 4.005 10.537 ( -0.231 5.455 -1.311) 5.615 10.590 ( 2.979 0.839 -5.890) 6.654 10.621 ( -4.021 -1.301 4.980) 6.531 10.690 ( -2.107 -3.206 6.185) 7.278 10.729 ( -0.660 3.691 1.488) 4.034 10.932 ( 0.927 -3.781 -7.138) 8.130 10.971 ( 0.705 -9.142 -3.405) 9.781 11.007 ( 3.077 -10.198 -3.066) 11.084 11.052 ( -6.448 -0.049 1.692) 6.666 11.146 ( -7.656 -2.317 0.777) 8.037 11.298 ( -6.823 -1.067 -3.705) 7.837 11.371 ( -8.444 -2.499 -7.461) 11.541 11.572 ( -1.596 2.556 1.410) 3.327 11.611 ( -1.764 1.278 3.268) 3.928 11.688 ( 0.981 1.571 0.667) 1.968 11.736 ( 0.317 1.227 -0.237) 1.290 12.054 ( -8.603 5.008 -3.002) 10.397 12.096 ( -10.705 2.689 -2.291) 11.272 12.251 ( -2.106 4.204 1.386) 4.902 12.322 ( -4.366 0.444 3.108) 5.378 12.471 ( -1.117 7.793 2.852) 8.374 12.607 ( 0.867 3.372 -0.598) 3.533 12.638 ( 1.742 5.246 4.113) 6.890 12.680 ( 0.003 10.395 -4.020) 11.145 12.696 ( 3.519 3.564 4.705) 6.872 12.778 ( 5.648 -2.315 -1.351) 6.251 13.071 ( 2.477 -3.945 -1.262) 4.826 13.153 ( 4.779 -0.332 2.245) 5.291 13.171 ( 1.259 4.647 0.163) 4.818 13.199 ( 5.135 -0.431 0.113) 5.154 13.243 ( 4.297 3.619 3.718) 6.737 13.315 ( 4.051 -0.248 1.760) 4.424 13.381 ( 0.136 0.952 -2.825) 2.984 13.448 ( 0.346 -2.686 -0.988) 2.882 13.629 ( -1.995 3.006 -1.789) 4.027 13.653 ( -2.643 -3.799 0.673) 4.677 13.716 ( 0.055 -0.393 1.745) 1.789 13.780 ( -4.334 -7.925 -0.209) 9.036 13.907 ( 3.563 -9.140 -1.315) 9.897 13.916 ( 2.908 -7.581 1.438) 8.246 14.017 ( -4.238 6.621 -0.825) 7.904 14.144 ( -1.729 7.072 -1.000) 7.348 14.340 ( -6.743 -8.193 -4.027) 11.349 14.472 ( -7.060 -8.409 -0.026) 10.980 14.879 ( 3.485 3.063 0.276) 4.648 14.945 ( 1.512 1.040 -0.391) 1.876 15.007 ( 5.776 1.342 0.057) 5.930 15.079 ( 4.624 -0.397 -0.352) 4.655 15.573 ( 5.710 -2.926 -0.333) 6.425 15.594 ( 5.747 -3.355 0.782) 6.700 15.754 ( -2.473 -3.614 1.806) 4.737 15.831 ( -0.925 -6.798 -3.764) 7.825 ======================= Grid point 95 (50/55) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -12.238 13.389 2.476) 18.307 1.497 ( 9.704 11.347 -6.186) 16.161 1.643 ( 9.786 8.116 7.418) 14.720 1.768 ( -5.641 0.916 -2.556) 6.261 1.799 ( -2.256 10.746 6.530) 12.776 1.843 ( -2.929 3.703 0.473) 4.745 1.881 ( 3.231 -2.239 -3.266) 5.111 1.940 ( 2.891 5.383 -3.293) 6.941 1.945 ( 2.906 2.733 1.134) 4.147 1.991 ( 0.020 -0.765 -0.538) 0.935 2.069 ( 1.024 2.738 0.371) 2.947 2.099 ( -1.968 5.285 -1.970) 5.974 2.152 ( 2.032 1.493 0.823) 2.652 2.182 ( -3.618 0.776 -1.823) 4.124 2.257 ( -0.414 3.955 1.540) 4.264 2.287 ( -3.182 -2.821 2.810) 5.096 2.295 ( 1.497 7.659 -2.443) 8.177 2.341 ( -0.497 0.537 1.875) 2.012 2.358 ( 1.009 -0.682 0.691) 1.400 2.435 ( -1.401 2.869 -0.353) 3.212 2.448 ( 1.847 6.197 -0.814) 6.517 2.481 ( -0.294 2.070 1.202) 2.412 2.497 ( -1.042 -0.586 -2.033) 2.359 2.525 ( 0.222 2.439 -3.265) 4.082 2.603 ( -0.504 4.750 1.642) 5.051 2.642 ( -0.892 3.257 -0.076) 3.378 2.665 ( -2.026 -0.187 1.700) 2.651 2.706 ( -2.222 2.323 0.609) 3.272 2.729 ( 1.458 1.479 -1.928) 2.834 2.760 ( 2.291 2.573 -2.064) 4.016 2.788 ( 2.190 -3.552 0.046) 4.173 2.846 ( -2.494 0.504 -3.410) 4.255 2.888 ( 0.655 -2.321 0.770) 2.532 2.907 ( -1.318 -0.953 -0.082) 1.629 2.938 ( -1.225 2.655 1.959) 3.519 2.989 ( 2.539 3.336 -2.120) 4.698 3.127 ( -3.511 1.425 2.133) 4.349 3.164 ( 1.725 0.300 -0.360) 1.788 3.226 ( -2.666 -3.050 4.271) 5.887 3.304 ( 2.699 -3.768 -3.768) 5.973 3.364 ( -2.438 -1.553 3.929) 4.878 3.402 ( 0.463 -3.012 -0.050) 3.047 3.455 ( -0.871 0.009 2.199) 2.365 3.493 ( 5.568 -0.340 -1.533) 5.785 3.660 ( -0.537 1.489 1.260) 2.023 3.674 ( -2.590 0.429 2.118) 3.373 3.741 ( 3.411 0.051 -1.140) 3.597 3.769 ( -1.730 2.885 -4.327) 5.481 3.808 ( 1.593 -0.667 1.305) 2.165 3.824 ( -1.279 -1.081 -0.672) 1.804 4.024 ( 1.236 -2.142 0.605) 2.546 4.045 ( -0.360 -2.755 -1.659) 3.236 4.392 ( 0.882 0.801 2.684) 2.936 4.431 ( -1.413 -0.873 -1.245) 2.076 4.619 ( 1.014 0.280 -1.465) 1.804 4.626 ( -2.750 -0.206 -1.535) 3.156 4.716 ( 0.823 6.831 1.553) 7.054 4.749 ( 0.795 6.974 0.560) 7.041 4.779 ( 1.953 3.787 0.522) 4.293 4.817 ( -4.281 6.679 -2.110) 8.209 4.917 ( 1.587 11.472 0.011) 11.581 4.922 ( 2.984 17.283 0.642) 17.550 4.958 ( 1.682 21.835 -0.632) 21.909 5.013 ( -5.185 22.166 -4.202) 23.149 5.202 ( -2.316 7.210 3.334) 8.274 5.243 ( 3.354 11.345 -1.191) 11.890 5.414 ( 0.278 13.922 0.480) 13.933 5.425 ( -2.932 9.970 -0.497) 10.404 5.566 ( -2.447 -1.521 4.371) 5.235 5.619 ( 1.352 0.478 -0.935) 1.712 5.843 ( 2.362 -3.572 -0.265) 4.290 5.850 ( -1.438 -3.136 -0.880) 3.561 5.965 ( -0.613 -5.118 1.127) 5.276 5.989 ( 0.884 -3.753 -0.927) 3.966 6.074 ( -2.321 -3.428 2.669) 4.925 6.125 ( 0.915 0.948 -1.059) 1.690 6.136 ( -2.399 -3.634 2.981) 5.277 6.204 ( 2.607 1.308 -2.756) 4.013 6.385 ( -3.604 -4.959 2.380) 6.576 6.420 ( 1.956 -5.410 -0.143) 5.755 6.457 ( 0.852 -2.540 2.073) 3.388 6.512 ( -0.311 -6.043 -3.313) 6.898 6.674 ( 3.729 -7.891 4.506) 9.822 6.740 ( -1.708 -9.840 -1.342) 10.077 6.865 ( 3.454 -7.731 3.570) 9.189 6.933 ( -2.490 -9.993 -1.653) 10.431 7.045 ( 2.362 -13.576 0.231) 13.782 7.073 ( -0.272 -11.650 -3.182) 12.080 7.167 ( -1.840 -6.544 1.091) 6.885 7.214 ( 0.998 1.339 -2.091) 2.676 7.329 ( 0.281 -8.182 7.043) 10.799 7.399 ( -3.803 -1.303 5.281) 6.638 7.469 ( -1.352 0.139 0.514) 1.453 7.498 ( 2.537 1.952 4.661) 5.654 7.580 ( -0.598 -2.576 -2.482) 3.626 7.603 ( -1.704 0.346 3.603) 4.001 7.662 ( 3.417 -1.272 -1.413) 3.910 7.682 ( 3.087 0.668 -7.621) 8.250 7.877 ( -2.113 2.285 3.580) 4.744 7.910 ( -3.460 8.301 3.119) 9.519 7.964 ( 3.266 -0.768 0.499) 3.392 7.989 ( -3.074 -1.687 -1.060) 3.663 8.044 ( 0.502 2.614 -0.252) 2.673 8.065 ( 2.670 -1.510 -0.532) 3.114 8.174 ( 3.093 2.174 2.780) 4.693 8.218 ( 2.473 1.995 -1.519) 3.522 8.265 ( -2.185 -0.698 1.995) 3.040 8.291 ( 1.398 2.182 1.886) 3.206 8.346 ( 3.806 -2.680 -1.623) 4.929 8.393 ( -2.814 2.121 -4.457) 5.682 8.470 ( -1.310 -1.975 3.304) 4.066 8.529 ( 2.024 3.729 -3.357) 5.411 8.559 ( -2.098 -0.187 1.802) 2.772 8.625 ( 2.431 0.687 -4.502) 5.162 8.731 ( -1.090 -0.512 1.151) 1.666 8.800 ( -2.116 0.787 -5.649) 6.083 8.874 ( -2.649 -5.389 -0.618) 6.037 8.901 ( 2.260 -6.065 -2.293) 6.867 8.939 ( -0.633 -4.089 1.496) 4.400 9.004 ( -0.921 -2.648 -3.156) 4.221 9.128 ( -1.952 0.946 1.437) 2.602 9.189 ( 1.040 -1.880 -4.970) 5.414 9.282 ( -0.143 4.857 0.408) 4.877 9.332 ( -0.929 3.671 -4.583) 5.945 9.439 ( 0.208 4.504 4.820) 6.600 9.524 ( -0.947 5.927 -0.989) 6.083 9.548 ( 0.558 11.928 -0.894) 11.975 9.589 ( -0.270 6.577 -1.747) 6.810 9.613 ( 4.568 0.357 -0.023) 4.582 9.634 ( -2.479 7.489 -2.140) 8.174 9.852 ( -1.591 5.585 6.481) 8.702 9.964 ( -0.524 6.705 -2.822) 7.293 10.026 ( -1.681 3.273 3.252) 4.911 10.054 ( -3.653 5.732 0.798) 6.844 10.132 ( -1.427 5.589 4.593) 7.373 10.176 ( 4.494 5.656 -1.329) 7.345 10.278 ( -9.354 2.571 5.700) 11.251 10.350 ( 2.587 -2.340 4.709) 5.861 10.383 ( -2.279 1.944 2.034) 3.621 10.472 ( 5.621 -4.241 -8.483) 11.024 10.484 ( -2.362 3.543 8.091) 9.144 10.608 ( 2.984 2.150 -3.066) 4.788 10.684 ( 1.345 -5.048 7.542) 9.175 10.691 ( 4.446 2.897 1.562) 5.532 10.795 ( 5.760 5.158 -6.943) 10.392 10.814 ( -4.766 -3.043 -4.507) 7.231 10.973 ( -5.009 2.121 -1.323) 5.598 10.982 ( 1.027 -4.659 -3.236) 5.765 11.071 ( 3.518 -10.040 2.211) 10.866 11.091 ( 5.433 -6.339 1.245) 8.441 11.155 ( -2.354 -4.077 -3.538) 5.889 11.199 ( -3.349 -3.330 -7.812) 9.129 11.586 ( 1.012 4.920 3.267) 5.992 11.622 ( 0.689 2.765 1.130) 3.065 11.725 ( 1.564 3.116 -0.431) 3.513 11.759 ( 1.614 1.656 -2.022) 3.072 11.925 ( -4.115 1.195 1.100) 4.424 11.937 ( -1.191 0.747 0.106) 1.410 12.236 ( 2.130 1.916 0.830) 2.983 12.254 ( -0.628 2.101 -0.860) 2.355 12.491 ( 1.889 8.287 3.752) 9.291 12.562 ( -2.155 4.983 -3.557) 6.491 12.634 ( -3.709 11.215 4.773) 12.740 12.706 ( 1.980 5.372 -1.548) 5.931 12.778 ( 1.325 0.382 2.971) 3.276 12.853 ( 3.464 -5.345 -3.596) 7.314 13.105 ( -5.529 -6.879 3.343) 9.438 13.144 ( 3.116 -5.084 -0.421) 5.978 13.251 ( 0.945 7.644 2.650) 8.145 13.263 ( -1.995 1.078 5.111) 5.591 13.318 ( -1.815 5.378 -2.753) 6.309 13.361 ( 2.789 -3.158 -3.980) 5.796 13.438 ( 1.929 2.160 -0.016) 2.896 13.461 ( 3.178 2.104 -2.321) 4.463 13.578 ( -2.207 -1.703 1.784) 3.309 13.609 ( 0.102 1.212 -1.566) 1.983 13.713 ( -0.497 0.712 2.282) 2.441 13.743 ( 1.427 -2.421 -0.621) 2.878 13.901 ( -3.090 1.958 -0.383) 3.678 13.908 ( 0.278 -0.609 -1.320) 1.479 14.048 ( 4.072 -5.293 2.313) 7.067 14.091 ( -4.641 -5.440 -2.230) 7.490 14.310 ( -4.732 -7.521 -0.488) 8.899 14.311 ( 4.002 -7.935 -0.730) 8.917 14.928 ( -0.170 3.614 1.351) 3.862 14.953 ( 0.151 3.003 -1.252) 3.257 15.092 ( -1.300 1.533 0.389) 2.047 15.102 ( 0.740 0.790 -0.744) 1.314 15.645 ( -3.010 -4.026 2.972) 5.839 15.694 ( 2.568 -5.799 -0.960) 6.415 15.745 ( 2.994 -4.734 -1.661) 5.842 15.766 ( -2.206 -5.441 -2.653) 6.443 ======================= Grid point 96 (51/55) ======================= q-point: (-0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -6.016 15.871 6.464) 18.162 1.570 ( -7.120 5.394 -9.347) 12.929 1.703 ( -0.222 8.812 6.248) 10.804 1.729 ( 4.970 8.066 0.261) 9.478 1.793 ( -0.767 5.639 3.194) 6.526 1.805 ( 0.302 -3.535 1.164) 3.734 1.907 ( 1.595 7.272 -6.920) 10.165 1.933 ( -2.654 -0.345 -5.422) 6.046 1.976 ( -0.156 0.863 -3.522) 3.630 2.005 ( 0.807 -1.848 -1.165) 2.329 2.069 ( 2.473 4.955 -0.011) 5.538 2.102 ( 1.260 7.984 2.335) 8.413 2.124 ( -0.335 0.579 0.595) 0.895 2.201 ( -0.036 -4.255 2.035) 4.717 2.250 ( -0.895 7.209 -0.768) 7.305 2.268 ( 0.073 3.766 -1.206) 3.955 2.347 ( 3.471 4.398 0.934) 5.680 2.371 ( 1.337 4.725 2.499) 5.510 2.392 ( 2.033 -1.873 -0.009) 2.764 2.433 ( 0.669 2.216 4.201) 4.796 2.454 ( -0.413 0.519 0.394) 0.772 2.513 ( 2.881 4.458 2.207) 5.748 2.519 ( 1.291 -0.688 2.234) 2.671 2.558 ( 3.153 5.698 -2.874) 7.118 2.611 ( 0.280 5.869 -1.114) 5.981 2.643 ( 1.436 -1.858 3.584) 4.285 2.664 ( 1.512 1.790 2.507) 3.432 2.698 ( 1.125 3.379 -0.357) 3.580 2.736 ( 0.041 4.247 -4.056) 5.873 2.761 ( -1.766 4.609 -1.817) 5.259 2.818 ( 0.941 1.878 3.809) 4.350 2.846 ( 1.990 -3.618 -1.313) 4.333 2.888 ( 0.672 -3.979 -0.559) 4.074 2.920 ( 1.621 -2.881 0.476) 3.340 2.946 ( 1.378 1.080 -0.905) 1.971 3.020 ( 0.323 1.128 -2.822) 3.056 3.056 ( -2.348 3.178 0.828) 4.037 3.169 ( -0.639 0.208 0.481) 0.827 3.213 ( -1.022 -1.511 4.510) 4.864 3.312 ( -0.498 -0.121 -2.265) 2.322 3.361 ( 0.429 -5.230 2.128) 5.662 3.402 ( -1.244 -4.818 0.774) 5.036 3.449 ( 0.030 1.936 -1.251) 2.305 3.525 ( -2.217 -1.362 -4.647) 5.326 3.603 ( -1.666 -0.668 1.287) 2.209 3.634 ( -1.517 -2.240 3.134) 4.140 3.760 ( 0.247 1.636 0.677) 1.787 3.799 ( 3.145 3.032 -3.792) 5.785 3.816 ( 0.164 0.991 1.492) 1.799 3.866 ( 1.684 1.270 -0.824) 2.265 4.066 ( 3.452 -3.110 -1.448) 4.867 4.081 ( 4.102 -3.126 0.231) 5.163 4.385 ( -3.229 0.187 -0.348) 3.253 4.422 ( -0.103 -0.763 1.841) 1.995 4.542 ( -3.704 4.435 0.807) 5.834 4.600 ( -4.185 5.754 -1.381) 7.248 4.654 ( 0.321 -0.237 1.437) 1.492 4.722 ( -0.102 2.460 -0.919) 2.628 4.764 ( -3.409 3.472 -0.400) 4.882 4.832 ( -1.438 10.667 -0.100) 10.764 4.902 ( 2.238 19.165 0.327) 19.298 4.930 ( -0.750 10.615 -2.930) 11.037 4.999 ( 4.453 20.258 2.134) 20.851 5.077 ( 0.486 5.151 2.093) 5.581 5.155 ( 2.222 27.361 0.033) 27.451 5.258 ( -2.585 3.661 -1.074) 4.609 5.415 ( 1.676 20.954 1.060) 21.048 5.490 ( 3.359 1.976 3.113) 4.987 5.537 ( -1.406 0.243 3.320) 3.614 5.589 ( -5.218 3.849 -0.380) 6.495 5.723 ( -1.078 -2.455 -1.813) 3.237 5.837 ( -4.839 -2.107 -0.012) 5.277 5.949 ( -3.756 -2.830 0.973) 4.802 6.007 ( -1.688 -4.226 -1.235) 4.715 6.034 ( 0.490 -3.413 2.949) 4.537 6.122 ( -0.380 1.158 2.958) 3.200 6.137 ( 0.237 -3.219 -0.979) 3.372 6.240 ( 0.854 -0.026 -2.941) 3.062 6.363 ( 0.626 -3.593 3.005) 4.725 6.454 ( 0.390 -5.301 -1.750) 5.596 6.479 ( 1.434 -5.250 1.756) 5.719 6.488 ( -0.061 -4.065 0.071) 4.066 6.690 ( 0.151 -10.379 -3.761) 11.041 6.731 ( -3.222 -5.880 -0.045) 6.705 6.833 ( 0.089 -2.882 1.344) 3.181 6.977 ( 0.354 -11.518 0.039) 11.523 7.001 ( -3.688 -16.988 -1.366) 17.437 7.010 ( -1.825 -8.962 -1.758) 9.313 7.046 ( -3.049 -13.758 1.049) 14.130 7.258 ( -2.247 1.296 -0.316) 2.614 7.278 ( -4.508 -9.237 3.411) 10.830 7.434 ( -4.112 1.450 4.594) 6.333 7.449 ( 1.318 -4.025 -2.160) 4.754 7.490 ( 0.195 2.209 1.721) 2.807 7.626 ( 2.275 0.541 -1.902) 3.014 7.664 ( 3.120 0.619 -2.576) 4.093 7.714 ( 3.460 -2.232 -4.617) 6.187 7.728 ( 2.186 -2.182 -1.223) 3.322 7.827 ( -3.189 6.180 0.708) 6.990 7.869 ( 1.217 0.262 1.519) 1.964 7.961 ( 0.438 5.187 2.937) 5.977 8.012 ( -1.377 5.895 -0.211) 6.058 8.045 ( 1.466 1.071 -0.011) 1.815 8.076 ( -1.388 2.191 -1.714) 3.109 8.145 ( -5.489 2.321 1.375) 6.116 8.201 ( -3.055 -0.766 0.206) 3.157 8.264 ( -2.269 4.645 2.917) 5.935 8.282 ( -2.417 -0.728 -1.961) 3.196 8.320 ( 3.049 -1.291 -1.914) 3.824 8.420 ( 3.015 -3.447 -3.384) 5.694 8.469 ( -0.189 -3.598 -1.748) 4.004 8.496 ( -2.853 -2.070 -1.744) 3.932 8.551 ( 0.498 -0.825 2.207) 2.408 8.664 ( 2.625 -0.976 -2.220) 3.574 8.718 ( 0.527 -1.196 1.862) 2.274 8.730 ( -2.106 -1.134 -0.697) 2.491 8.875 ( 2.061 -4.915 0.999) 5.423 8.936 ( 0.632 -4.443 1.263) 4.663 8.955 ( 1.752 -1.811 0.427) 2.556 8.981 ( 0.966 -3.406 -1.714) 3.934 9.069 ( -2.013 4.875 2.840) 5.991 9.183 ( -0.077 -1.133 -2.796) 3.018 9.269 ( -1.251 6.232 1.957) 6.651 9.335 ( -0.985 4.012 -1.720) 4.475 9.428 ( -2.883 6.821 3.614) 8.239 9.471 ( -4.001 7.396 3.003) 8.929 9.527 ( -0.031 4.504 -4.428) 6.316 9.563 ( 0.001 1.078 -0.711) 1.292 9.609 ( -0.554 11.726 -3.533) 12.260 9.670 ( -0.249 -1.768 -0.366) 1.822 9.790 ( -3.575 3.014 2.927) 5.517 9.891 ( -4.680 7.401 -1.564) 8.895 9.965 ( -3.663 3.680 3.276) 6.139 10.057 ( 2.562 13.403 -1.882) 13.775 10.141 ( -1.926 -4.514 7.296) 8.793 10.219 ( 3.129 4.481 2.218) 5.898 10.286 ( 1.722 1.753 8.239) 8.598 10.369 ( 1.272 6.610 2.856) 7.312 10.461 ( 7.569 1.698 -0.037) 7.758 10.515 ( 2.511 -0.703 -3.033) 4.000 10.569 ( 2.263 -1.467 -0.397) 2.726 10.645 ( -0.399 1.061 0.107) 1.139 10.688 ( -0.968 -1.710 -0.623) 2.061 10.724 ( 2.636 -0.084 -4.218) 4.974 10.772 ( -3.329 6.266 0.171) 7.098 10.825 ( 0.511 -3.892 0.627) 3.975 10.956 ( 1.831 -8.460 -2.306) 8.958 10.993 ( 0.801 -2.910 -1.652) 3.441 11.141 ( 2.429 -3.100 -9.106) 9.921 11.194 ( 5.978 -3.559 -1.522) 7.122 11.227 ( 9.640 -2.830 4.747) 11.112 11.294 ( 10.582 -5.835 -2.003) 12.249 11.603 ( 0.469 4.642 -1.127) 4.800 11.655 ( 2.378 1.199 -1.526) 3.070 11.723 ( -0.405 1.807 -0.401) 1.895 11.746 ( -0.123 -0.864 -3.968) 4.063 11.984 ( 6.764 3.711 4.352) 8.858 12.017 ( 5.951 1.628 4.743) 7.782 12.308 ( 4.524 6.055 -2.818) 8.067 12.367 ( 10.260 0.952 -1.791) 10.459 12.524 ( -0.101 5.754 -2.865) 6.429 12.554 ( 0.178 6.444 3.537) 7.353 12.585 ( -0.568 10.460 5.201) 11.696 12.701 ( -2.295 2.773 0.199) 3.604 12.777 ( -2.023 4.404 -3.629) 6.054 12.840 ( -5.239 -3.456 -7.753) 9.975 13.025 ( -0.868 -4.291 4.001) 5.931 13.153 ( -6.549 4.733 2.248) 8.387 13.166 ( -1.479 0.578 0.289) 1.614 13.197 ( -5.981 -2.896 -1.285) 6.769 13.280 ( -1.423 4.304 4.282) 6.236 13.335 ( -6.924 2.724 -3.916) 8.408 13.387 ( -0.620 -5.510 -1.748) 5.814 13.446 ( -0.804 2.276 -0.881) 2.570 13.626 ( 4.284 2.558 -2.505) 5.583 13.674 ( 2.501 -4.603 -1.378) 5.416 13.751 ( -2.709 -0.006 -1.818) 3.262 13.773 ( 6.995 -5.343 0.655) 8.826 13.856 ( -2.537 -8.900 3.294) 9.823 13.949 ( -0.185 -3.722 -0.762) 3.803 13.995 ( 1.525 2.870 0.888) 3.369 14.111 ( 1.438 6.035 2.355) 6.636 14.270 ( 2.978 -7.440 2.656) 8.443 14.467 ( 7.463 -9.199 0.336) 11.850 14.883 ( -3.373 2.559 -0.004) 4.234 14.937 ( -1.868 1.232 0.275) 2.254 15.003 ( -5.187 1.863 0.365) 5.523 15.078 ( -3.998 -0.675 -0.177) 4.059 15.548 ( -5.113 -1.017 1.525) 5.431 15.618 ( -6.220 -3.929 -0.965) 7.420 15.768 ( 1.249 -4.314 1.948) 4.895 15.817 ( 2.901 -6.821 -3.865) 8.359 ======================= Grid point 97 (52/55) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.601 -9.850 3.993) 10.645 1.472 ( -0.601 9.850 3.993) 10.645 1.658 ( -0.646 -6.236 -6.063) 8.721 1.658 ( -0.646 6.236 -6.063) 8.721 1.870 ( -4.116 -6.533 6.772) 10.271 1.870 ( -4.116 6.533 6.772) 10.271 1.963 ( 0.267 -4.864 -0.186) 4.875 1.963 ( 0.267 4.864 -0.186) 4.875 1.988 ( 3.543 -3.012 -3.961) 6.108 1.988 ( 3.543 3.012 -3.961) 6.108 2.103 ( 0.995 -1.592 -1.816) 2.612 2.103 ( 0.995 1.592 -1.816) 2.612 2.255 ( -1.092 -2.502 -0.724) 2.824 2.255 ( -1.092 2.502 -0.724) 2.824 2.279 ( -0.454 -2.038 -0.083) 2.090 2.279 ( -0.454 2.038 -0.083) 2.090 2.378 ( 0.940 -2.345 -1.242) 2.815 2.378 ( 0.940 2.345 -1.242) 2.815 2.449 ( 0.685 -2.582 0.931) 2.829 2.449 ( 0.685 2.582 0.931) 2.829 2.571 ( 0.514 -3.003 5.137) 5.973 2.571 ( 0.514 3.003 5.137) 5.973 2.591 ( 0.739 -2.706 3.710) 4.651 2.591 ( 0.739 2.706 3.710) 4.651 2.685 ( -2.611 -2.350 -3.473) 4.940 2.685 ( -2.611 2.350 -3.473) 4.940 2.723 ( 0.703 -1.764 -1.528) 2.438 2.723 ( 0.703 1.764 -1.528) 2.438 2.775 ( -1.396 -1.850 2.222) 3.210 2.775 ( -1.396 1.850 2.222) 3.210 2.834 ( 1.673 -4.330 -3.159) 5.615 2.834 ( 1.673 4.330 -3.159) 5.615 2.929 ( 1.591 -0.467 1.929) 2.544 2.929 ( 1.591 0.467 1.929) 2.544 2.987 ( -1.088 -1.651 -2.219) 2.972 2.987 ( -1.088 1.651 -2.219) 2.972 3.127 ( 0.760 -2.416 2.279) 3.407 3.127 ( 0.760 2.416 2.279) 3.407 3.233 ( -0.295 -4.023 0.872) 4.127 3.233 ( -0.295 4.023 0.872) 4.127 3.349 ( 2.221 -1.119 -1.414) 2.861 3.349 ( 2.221 1.119 -1.414) 2.861 3.415 ( -2.012 -1.123 -1.759) 2.899 3.415 ( -2.012 1.123 -1.759) 2.899 3.638 ( 0.635 -1.209 0.965) 1.673 3.638 ( 0.635 1.209 0.965) 1.673 3.760 ( -0.399 -0.428 0.468) 0.749 3.760 ( -0.399 0.428 0.468) 0.749 3.897 ( -1.895 -2.887 1.387) 3.721 3.897 ( -1.895 2.887 1.387) 3.721 4.086 ( 0.088 -3.373 -1.074) 3.541 4.086 ( 0.088 3.373 -1.074) 3.541 4.382 ( 1.801 -0.621 -0.761) 2.052 4.382 ( 1.801 0.621 -0.761) 2.052 4.596 ( -1.366 -3.798 2.742) 4.880 4.596 ( -1.366 3.798 2.742) 4.880 4.652 ( 0.127 -3.688 -0.402) 3.712 4.652 ( 0.127 3.688 -0.402) 3.712 4.756 ( 0.287 -2.493 -2.028) 3.227 4.756 ( 0.287 2.493 -2.028) 3.227 5.121 ( 4.272 -1.134 3.427) 5.593 5.121 ( 4.272 1.134 3.427) 5.593 5.232 ( -2.991 -2.535 -2.555) 4.680 5.232 ( -2.991 2.535 -2.555) 4.680 5.433 ( 0.738 -3.301 0.798) 3.476 5.433 ( 0.738 3.301 0.798) 3.476 5.555 ( -0.986 -3.617 -0.513) 3.783 5.555 ( -0.986 3.617 -0.513) 3.783 5.629 ( 0.587 -3.743 2.389) 4.479 5.629 ( 0.587 3.743 2.389) 4.479 5.780 ( -0.525 -3.033 -0.288) 3.092 5.780 ( -0.525 3.033 -0.288) 3.092 5.925 ( 0.058 -2.289 -0.778) 2.418 5.925 ( 0.058 2.289 -0.778) 2.418 6.076 ( -1.149 -6.104 3.160) 6.969 6.076 ( -1.149 6.104 3.160) 6.969 6.164 ( 1.366 -8.338 -1.884) 8.656 6.164 ( 1.366 8.338 -1.884) 8.656 6.377 ( -0.312 -2.800 0.349) 2.838 6.377 ( -0.312 2.800 0.349) 2.838 6.482 ( 0.863 -3.396 3.015) 4.622 6.482 ( 0.863 3.396 3.015) 4.622 6.553 ( 0.618 -4.206 -0.711) 4.311 6.553 ( 0.618 4.206 -0.711) 4.311 6.743 ( -1.950 -3.456 0.675) 4.025 6.743 ( -1.950 3.456 0.675) 4.025 6.828 ( 1.364 -0.972 -4.203) 4.524 6.828 ( 1.364 0.972 -4.203) 4.524 6.984 ( -0.869 -4.299 0.142) 4.388 6.984 ( -0.869 4.299 0.142) 4.388 7.253 ( -2.006 -1.719 -1.141) 2.877 7.253 ( -2.006 1.719 -1.141) 2.877 7.503 ( -1.264 -1.441 2.852) 3.436 7.503 ( -1.264 1.441 2.852) 3.436 7.637 ( -2.729 -3.407 2.680) 5.122 7.637 ( -2.729 3.407 2.680) 5.122 7.703 ( 1.688 -2.341 -1.556) 3.279 7.703 ( 1.688 2.341 -1.556) 3.279 7.833 ( -0.737 -0.749 -4.585) 4.704 7.833 ( -0.737 0.749 -4.585) 4.704 8.041 ( -2.582 -4.321 5.225) 7.255 8.041 ( -2.582 4.321 5.225) 7.255 8.138 ( 2.055 -4.486 -3.936) 6.312 8.138 ( 2.055 4.486 -3.936) 6.312 8.177 ( 0.086 -2.624 4.700) 5.383 8.177 ( 0.086 2.624 4.700) 5.383 8.217 ( -0.337 -0.571 -2.358) 2.450 8.217 ( -0.337 0.571 -2.358) 2.450 8.371 ( -2.114 -4.930 3.982) 6.680 8.371 ( -2.114 4.930 3.982) 6.680 8.476 ( 2.170 -1.550 -3.533) 4.426 8.476 ( 2.170 1.550 -3.533) 4.426 8.566 ( -0.081 -3.362 1.223) 3.578 8.566 ( -0.081 3.362 1.223) 3.578 8.753 ( 2.065 -0.898 -4.239) 4.800 8.753 ( 2.065 0.898 -4.239) 4.800 8.897 ( 2.553 -0.382 1.842) 3.171 8.897 ( 2.553 0.382 1.842) 3.171 8.946 ( -0.357 -2.612 -3.144) 4.103 8.946 ( -0.357 2.612 -3.144) 4.103 9.151 ( 0.594 -2.215 -0.168) 2.299 9.151 ( 0.594 2.215 -0.168) 2.299 9.318 ( 0.709 -1.745 -1.309) 2.294 9.318 ( 0.709 1.745 -1.309) 2.294 9.499 ( -2.239 -3.194 0.835) 3.989 9.499 ( -2.239 3.194 0.835) 3.989 9.552 ( 3.642 -2.373 -2.957) 5.257 9.552 ( 3.642 2.373 -2.957) 5.257 9.740 ( -2.879 -3.866 3.484) 5.948 9.740 ( -2.879 3.866 3.484) 5.948 9.832 ( 3.100 -9.588 -0.549) 10.091 9.832 ( 3.100 9.588 -0.549) 10.091 9.992 ( -1.786 -6.025 3.394) 7.142 9.992 ( -1.786 6.025 3.394) 7.142 10.282 ( 0.898 -5.007 -3.297) 6.062 10.282 ( 0.898 5.007 -3.297) 6.062 10.441 ( 1.113 -4.086 8.233) 9.258 10.441 ( 1.113 4.086 8.233) 9.258 10.571 ( -7.160 -0.773 9.489) 11.912 10.571 ( -7.160 0.773 9.489) 11.912 10.585 ( 2.664 -1.804 6.705) 7.437 10.585 ( 2.664 1.804 6.705) 7.437 10.673 ( -3.354 -11.269 -6.448) 13.409 10.673 ( -3.354 11.269 -6.448) 13.409 10.765 ( 4.173 -7.180 -7.287) 11.048 10.765 ( 4.173 7.180 -7.287) 11.048 10.880 ( -0.284 -6.572 -9.708) 11.726 10.880 ( -0.284 6.572 -9.708) 11.726 11.209 ( -1.321 -2.824 4.740) 5.673 11.209 ( -1.321 2.824 4.740) 5.673 11.391 ( 3.913 -1.427 -2.567) 4.893 11.391 ( 3.913 1.427 -2.567) 4.893 11.660 ( -1.149 -1.571 -1.167) 2.270 11.660 ( -1.149 1.571 -1.167) 2.270 11.691 ( -0.651 -1.754 -2.058) 2.782 11.691 ( -0.651 1.754 -2.058) 2.782 12.217 ( 6.981 -1.566 9.290) 11.725 12.217 ( 6.981 1.566 9.290) 11.725 12.400 ( -8.982 -4.851 -9.992) 14.285 12.400 ( -8.982 4.851 -9.992) 14.285 12.607 ( 2.502 -2.644 0.178) 3.644 12.607 ( 2.502 2.644 0.178) 3.644 12.626 ( -1.423 -1.136 -0.478) 1.883 12.626 ( -1.423 1.136 -0.478) 1.883 12.879 ( 1.002 -13.585 4.722) 14.418 12.879 ( 1.002 13.585 4.722) 14.418 12.946 ( -2.622 -11.354 -2.303) 11.878 12.946 ( -2.622 11.354 -2.303) 11.878 13.186 ( 0.280 -5.439 1.658) 5.693 13.186 ( 0.280 5.439 1.658) 5.693 13.232 ( 1.035 -7.868 -2.340) 8.273 13.232 ( 1.035 7.868 -2.340) 8.273 13.473 ( -0.465 -7.605 1.155) 7.706 13.473 ( -0.465 7.605 1.155) 7.706 13.529 ( -0.200 -4.899 -0.152) 4.906 13.529 ( -0.200 4.899 -0.152) 4.906 13.735 ( -0.841 -1.889 -1.917) 2.820 13.735 ( -0.841 1.889 -1.917) 2.820 13.821 ( -0.342 -1.986 -0.796) 2.167 13.821 ( -0.342 1.986 -0.796) 2.167 14.285 ( 5.580 -7.617 2.609) 9.796 14.285 ( 5.580 7.617 2.609) 9.796 14.319 ( -2.286 -9.233 0.043) 9.512 14.319 ( -2.286 9.233 0.043) 9.512 14.858 ( -0.184 -0.084 0.088) 0.221 14.858 ( -0.184 0.084 0.088) 0.221 14.995 ( -0.080 -0.780 -0.338) 0.854 14.995 ( -0.080 0.780 -0.338) 0.854 15.512 ( -0.364 -0.593 0.582) 0.907 15.512 ( -0.364 0.593 0.582) 0.907 15.752 ( 0.360 -1.780 -0.888) 2.021 15.752 ( 0.360 1.780 -0.888) 2.021 ======================= Grid point 99 (53/55) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 6.304 -3.250 2.749) 7.607 1.552 ( 6.304 3.250 2.749) 7.607 1.666 ( 3.190 -4.686 -1.653) 5.905 1.666 ( 3.190 4.686 -1.653) 5.905 1.809 ( -5.066 -4.592 4.299) 8.077 1.809 ( -5.066 4.592 4.299) 8.077 1.978 ( 1.098 -2.405 0.474) 2.686 1.978 ( 1.098 2.405 0.474) 2.686 2.009 ( -0.055 -2.240 -1.828) 2.892 2.009 ( -0.055 2.240 -1.828) 2.892 2.110 ( 0.756 -3.596 -2.411) 4.395 2.110 ( 0.756 3.596 -2.411) 4.395 2.176 ( -2.963 -3.357 0.842) 4.556 2.176 ( -2.963 3.357 0.842) 4.556 2.306 ( 0.125 -2.975 0.749) 3.071 2.306 ( 0.125 2.975 0.749) 3.071 2.375 ( -0.705 -3.922 -1.526) 4.267 2.375 ( -0.705 3.922 -1.526) 4.267 2.436 ( -1.624 -3.685 -0.882) 4.122 2.436 ( -1.624 3.685 -0.882) 4.122 2.535 ( -3.229 -1.947 2.302) 4.418 2.535 ( -3.229 1.947 2.302) 4.418 2.610 ( -2.739 -1.646 1.102) 3.381 2.610 ( -2.739 1.646 1.102) 3.381 2.634 ( -1.410 -5.185 -2.461) 5.910 2.634 ( -1.410 5.185 -2.461) 5.910 2.706 ( 0.388 -2.990 -1.245) 3.262 2.706 ( 0.388 2.990 -1.245) 3.262 2.744 ( -1.658 -1.504 0.184) 2.246 2.744 ( -1.658 1.504 0.184) 2.246 2.857 ( 1.434 -3.703 0.287) 3.982 2.857 ( 1.434 3.703 0.287) 3.982 2.906 ( -2.850 -1.601 -1.405) 3.558 2.906 ( -2.850 1.601 -1.405) 3.558 3.012 ( 2.474 -1.674 -0.122) 2.990 3.012 ( 2.474 1.674 -0.122) 2.990 3.148 ( -0.024 -4.262 1.363) 4.475 3.148 ( -0.024 4.262 1.363) 4.475 3.232 ( -0.483 -2.464 -0.824) 2.643 3.232 ( -0.483 2.464 -0.824) 2.643 3.353 ( 0.194 -1.746 -2.352) 2.936 3.353 ( 0.194 1.746 -2.352) 2.936 3.427 ( 0.803 -1.840 3.393) 3.942 3.427 ( 0.803 1.840 3.393) 3.942 3.630 ( 1.869 -1.951 -0.274) 2.715 3.630 ( 1.869 1.951 -0.274) 2.715 3.769 ( -1.280 -1.187 1.020) 2.022 3.769 ( -1.280 1.187 1.020) 2.022 3.873 ( -0.830 -1.859 0.304) 2.059 3.873 ( -0.830 1.859 0.304) 2.059 4.023 ( -3.446 -3.177 -0.202) 4.691 4.023 ( -3.446 3.177 -0.202) 4.691 4.424 ( 0.802 -2.821 -1.997) 3.548 4.424 ( 0.802 2.821 -1.997) 3.548 4.608 ( 1.197 -2.293 1.134) 2.824 4.608 ( 1.197 2.293 1.134) 2.824 4.700 ( 4.608 -5.354 0.538) 7.085 4.700 ( 4.608 5.354 0.538) 7.085 4.788 ( 2.921 -3.946 -0.552) 4.940 4.788 ( 2.921 3.946 -0.552) 4.940 5.048 ( -6.012 -1.948 -2.955) 6.977 5.048 ( -6.012 1.948 -2.955) 6.977 5.261 ( 0.381 -1.215 1.166) 1.727 5.261 ( 0.381 1.215 1.166) 1.727 5.423 ( -1.311 -8.169 0.782) 8.310 5.423 ( -1.311 8.169 0.782) 8.310 5.576 ( 3.532 -1.697 -1.873) 4.343 5.576 ( 3.532 1.697 -1.873) 4.343 5.720 ( 2.430 -9.060 0.994) 9.433 5.720 ( 2.430 9.060 0.994) 9.433 5.777 ( 2.922 -8.659 1.107) 9.206 5.777 ( 2.922 8.659 1.107) 9.206 5.889 ( -2.326 -7.033 -0.368) 7.417 5.889 ( -2.326 7.033 -0.368) 7.417 6.049 ( -2.741 -3.069 3.101) 5.153 6.049 ( -2.741 3.069 3.101) 5.153 6.181 ( 0.416 -5.831 -2.228) 6.256 6.181 ( 0.416 5.831 -2.228) 6.256 6.358 ( -1.104 -1.682 -0.234) 2.026 6.358 ( -1.104 1.682 -0.234) 2.026 6.482 ( -2.131 -0.691 1.884) 2.928 6.482 ( -2.131 0.691 1.884) 2.928 6.529 ( 0.095 -9.619 -1.998) 9.824 6.529 ( 0.095 9.619 -1.998) 9.824 6.769 ( 1.654 -4.585 2.630) 5.539 6.769 ( 1.654 4.585 2.630) 5.539 6.853 ( 3.406 -2.524 -3.738) 5.652 6.853 ( 3.406 2.524 -3.738) 5.652 7.026 ( 4.248 -6.711 3.053) 8.508 7.026 ( 4.248 6.711 3.053) 8.508 7.301 ( 4.372 -2.899 2.994) 6.040 7.301 ( 4.372 2.899 2.994) 6.040 7.500 ( 2.269 -2.807 4.987) 6.156 7.500 ( 2.269 2.807 4.987) 6.156 7.586 ( -4.711 -4.118 3.623) 7.230 7.586 ( -4.711 4.118 3.623) 7.230 7.713 ( -4.433 -4.938 -5.422) 8.569 7.713 ( -4.433 4.938 -5.422) 8.569 7.843 ( 4.940 -0.675 0.969) 5.079 7.843 ( 4.940 0.675 0.969) 5.079 8.021 ( -0.984 -2.098 5.631) 6.089 8.021 ( -0.984 2.098 5.631) 6.089 8.066 ( -5.172 -2.297 -1.362) 5.821 8.066 ( -5.172 2.297 -1.362) 5.821 8.215 ( 2.693 -2.175 0.478) 3.495 8.215 ( 2.693 2.175 0.478) 3.495 8.277 ( 1.866 -2.745 2.651) 4.248 8.277 ( 1.866 2.745 2.651) 4.248 8.342 ( -0.248 -4.557 0.756) 4.626 8.342 ( -0.248 4.557 0.756) 4.626 8.490 ( 2.581 -2.013 -4.750) 5.769 8.490 ( 2.581 2.013 -4.750) 5.769 8.602 ( 1.833 -1.738 0.000) 2.526 8.602 ( 1.833 1.738 0.000) 2.526 8.759 ( 0.426 -1.716 -4.345) 4.691 8.759 ( 0.426 1.716 -4.345) 4.691 8.874 ( -2.567 -3.092 -1.650) 4.345 8.874 ( -2.567 3.092 -1.650) 4.345 8.949 ( 0.844 -3.759 -4.935) 6.260 8.949 ( 0.844 3.759 -4.935) 6.260 9.158 ( 0.342 -1.642 -1.300) 2.122 9.158 ( 0.342 1.642 -1.300) 2.122 9.353 ( 1.510 -2.538 -1.829) 3.473 9.353 ( 1.510 2.538 -1.829) 3.473 9.482 ( 1.349 -3.209 0.866) 3.588 9.482 ( 1.349 3.209 0.866) 3.588 9.628 ( 2.579 -3.577 -4.406) 6.234 9.628 ( 2.579 3.577 -4.406) 6.234 9.743 ( 1.619 -6.974 3.793) 8.102 9.743 ( 1.619 6.974 3.793) 8.102 9.913 ( 5.058 -10.437 -2.272) 11.819 9.913 ( 5.058 10.437 -2.272) 11.819 10.009 ( 1.455 -4.250 7.131) 8.428 10.009 ( 1.455 4.250 7.131) 8.428 10.282 ( -1.019 -2.451 -3.064) 4.054 10.282 ( -1.019 2.451 -3.064) 4.054 10.376 ( -9.947 -3.032 5.636) 11.828 10.376 ( -9.947 3.032 5.636) 11.828 10.474 ( -1.676 -6.630 2.427) 7.257 10.474 ( -1.676 6.630 2.427) 7.257 10.553 ( -4.021 -6.457 2.635) 8.050 10.553 ( -4.021 6.457 2.635) 8.050 10.680 ( 0.108 -4.152 0.377) 4.171 10.680 ( 0.108 4.152 0.377) 4.171 10.803 ( 2.318 -5.397 -0.212) 5.877 10.803 ( 2.318 5.397 -0.212) 5.877 10.877 ( 2.953 -3.117 -5.773) 7.195 10.877 ( 2.953 3.117 -5.773) 7.195 11.095 ( -8.495 -2.972 1.830) 9.184 11.095 ( -8.495 2.972 1.830) 9.184 11.318 ( -7.934 -2.660 -7.234) 11.062 11.318 ( -7.934 2.660 -7.234) 11.062 11.604 ( -0.194 -1.224 2.466) 2.760 11.604 ( -0.194 1.224 2.466) 2.760 11.731 ( 1.980 -1.787 -0.392) 2.696 11.731 ( 1.980 1.787 -0.392) 2.696 12.114 ( -11.354 -1.061 -3.504) 11.930 12.114 ( -11.354 1.061 -3.504) 11.930 12.307 ( -3.165 -1.812 3.886) 5.329 12.307 ( -3.165 1.812 3.886) 5.329 12.618 ( 0.020 -5.221 0.077) 5.221 12.618 ( 0.020 5.221 0.077) 5.221 12.656 ( 2.837 -1.869 1.888) 3.887 12.656 ( 2.837 1.869 1.888) 3.887 12.901 ( -0.545 -0.425 0.576) 0.900 12.901 ( -0.545 0.425 0.576) 0.900 12.939 ( 1.661 -3.586 1.575) 4.254 12.939 ( 1.661 3.586 1.575) 4.254 13.238 ( 3.371 -2.342 -0.998) 4.225 13.238 ( 3.371 2.342 -0.998) 4.225 13.286 ( 5.785 -4.045 -0.323) 7.067 13.286 ( 5.785 4.045 -0.323) 7.067 13.504 ( 0.306 -10.006 0.390) 10.018 13.504 ( 0.306 10.006 0.390) 10.018 13.564 ( 1.699 -10.320 1.182) 10.526 13.564 ( 1.699 10.320 1.182) 10.526 13.730 ( 2.278 -2.925 -0.276) 3.718 13.730 ( 2.278 2.925 -0.276) 3.718 13.803 ( -0.396 -2.053 0.418) 2.132 13.803 ( -0.396 2.053 0.418) 2.132 14.172 ( -6.718 -8.817 -2.789) 11.430 14.172 ( -6.718 8.817 -2.789) 11.430 14.306 ( -5.339 -8.895 -0.608) 10.392 14.306 ( -5.339 8.895 -0.608) 10.392 14.930 ( 4.379 -2.107 0.043) 4.859 14.930 ( 4.379 2.107 0.043) 4.859 15.052 ( 4.887 -2.438 -0.261) 5.467 15.052 ( 4.887 2.438 -0.261) 5.467 15.555 ( 3.691 -0.782 0.650) 3.828 15.555 ( 3.691 0.782 0.650) 3.828 15.739 ( -1.258 -2.341 -1.172) 2.905 15.739 ( -1.258 2.341 -1.172) 2.905 ======================= Grid point 101 (54/55) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -5.925 -9.176 2.226) 11.147 1.644 ( -5.925 9.176 2.226) 11.147 1.700 ( 6.075 -7.550 -2.377) 9.977 1.700 ( 6.075 7.550 -2.377) 9.977 1.820 ( 4.634 -3.863 2.824) 6.661 1.820 ( 4.634 3.863 2.824) 6.661 1.958 ( -2.253 -2.686 -3.620) 5.039 1.958 ( -2.253 2.686 -3.620) 5.039 2.005 ( -1.040 -6.812 3.389) 7.679 2.005 ( -1.040 6.812 3.389) 7.679 2.109 ( 0.179 -2.302 -0.891) 2.475 2.109 ( 0.179 2.302 -0.891) 2.475 2.170 ( 0.096 -1.040 2.400) 2.617 2.170 ( 0.096 1.040 2.400) 2.617 2.275 ( -0.636 -2.350 -0.567) 2.500 2.275 ( -0.636 2.350 -0.567) 2.500 2.356 ( -0.432 -3.226 0.940) 3.388 2.356 ( -0.432 3.226 0.940) 3.388 2.415 ( 0.531 -4.002 -3.076) 5.075 2.415 ( 0.531 4.002 -3.076) 5.075 2.511 ( -0.251 -2.503 2.059) 3.250 2.511 ( -0.251 2.503 2.059) 3.250 2.552 ( -1.753 -2.587 0.825) 3.232 2.552 ( -1.753 2.587 0.825) 3.232 2.612 ( 1.104 -7.473 -4.221) 8.654 2.612 ( 1.104 7.473 -4.221) 8.654 2.683 ( -0.330 -1.967 -2.059) 2.866 2.683 ( -0.330 1.967 -2.059) 2.866 2.748 ( 1.337 -2.978 0.244) 3.273 2.748 ( 1.337 2.978 0.244) 3.273 2.833 ( -2.122 -2.217 -2.602) 4.023 2.833 ( -2.122 2.217 -2.602) 4.023 2.895 ( 0.148 -1.053 3.725) 3.874 2.895 ( 0.148 1.053 3.725) 3.874 3.039 ( 0.314 -3.531 -0.506) 3.581 3.039 ( 0.314 3.531 -0.506) 3.581 3.145 ( -1.339 -1.306 3.382) 3.865 3.145 ( -1.339 1.306 3.382) 3.865 3.210 ( -0.068 -4.592 -2.084) 5.043 3.210 ( -0.068 4.592 -2.084) 5.043 3.345 ( -0.454 -0.954 0.857) 1.360 3.345 ( -0.454 0.954 0.857) 1.360 3.480 ( 2.288 -1.175 1.727) 3.098 3.480 ( 2.288 1.175 1.727) 3.098 3.677 ( -1.863 -0.493 0.844) 2.104 3.677 ( -1.863 0.493 0.844) 2.104 3.754 ( 2.145 -1.538 -1.932) 3.271 3.754 ( 2.145 1.538 -1.932) 3.271 3.826 ( -0.969 -0.107 -0.349) 1.035 3.826 ( -0.969 0.107 -0.349) 1.035 4.005 ( 0.892 -0.858 -0.729) 1.436 4.005 ( 0.892 0.858 -0.729) 1.436 4.414 ( -0.608 -1.160 0.114) 1.314 4.414 ( -0.608 1.160 0.114) 1.314 4.613 ( -0.295 -0.178 -0.955) 1.015 4.613 ( -0.295 0.178 -0.955) 1.015 4.786 ( -0.545 -1.551 1.490) 2.219 4.786 ( -0.545 1.551 1.490) 2.219 4.859 ( 4.296 -4.724 0.443) 6.401 4.859 ( 4.296 4.724 0.443) 6.401 4.916 ( -4.860 -4.823 -2.287) 7.219 4.916 ( -4.860 4.823 -2.287) 7.219 5.251 ( 0.348 -1.242 0.057) 1.291 5.251 ( 0.348 1.242 0.057) 1.291 5.419 ( -0.047 -4.854 1.739) 5.156 5.419 ( -0.047 4.854 1.739) 5.156 5.570 ( -1.490 -7.473 -2.135) 7.914 5.570 ( -1.490 7.473 -2.135) 7.914 5.777 ( 2.669 -6.884 1.050) 7.458 5.777 ( 2.669 6.884 1.050) 7.458 5.822 ( -2.898 -4.835 -0.490) 5.658 5.822 ( -2.898 4.835 -0.490) 5.658 5.873 ( 1.476 -4.649 0.248) 4.884 5.873 ( 1.476 4.649 0.248) 4.884 6.006 ( -1.013 -1.932 3.072) 3.768 6.006 ( -1.013 1.932 3.072) 3.768 6.170 ( -0.067 -3.972 -1.245) 4.163 6.170 ( -0.067 3.972 -1.245) 4.163 6.345 ( -0.361 -1.793 -0.063) 1.830 6.345 ( -0.361 1.793 -0.063) 1.830 6.481 ( 1.041 -6.030 1.177) 6.231 6.481 ( 1.041 6.030 1.177) 6.231 6.522 ( -0.661 -7.846 -1.172) 7.961 6.522 ( -0.661 7.846 -1.172) 7.961 6.797 ( 0.445 -2.770 1.452) 3.159 6.797 ( 0.445 2.770 1.452) 3.159 6.886 ( 0.268 -1.732 -2.735) 3.249 6.886 ( 0.268 1.732 -2.735) 3.249 7.158 ( 2.195 -4.615 6.929) 8.610 7.158 ( 2.195 4.615 6.929) 8.610 7.319 ( -1.662 -5.304 -3.483) 6.560 7.319 ( -1.662 5.304 -3.483) 6.560 7.508 ( -2.060 -2.228 6.659) 7.318 7.508 ( -2.060 2.228 6.659) 7.318 7.587 ( -0.739 -3.003 -0.155) 3.096 7.587 ( -0.739 3.003 -0.155) 3.096 7.659 ( 4.462 -2.027 -1.145) 5.033 7.659 ( 4.462 2.027 -1.145) 5.033 7.899 ( -3.166 -2.562 3.777) 5.554 7.899 ( -3.165 2.562 3.777) 5.554 7.971 ( 1.861 -0.809 -2.336) 3.094 7.971 ( 1.861 0.809 -2.336) 3.094 8.066 ( 1.505 -0.303 4.059) 4.340 8.066 ( 1.505 0.303 4.059) 4.340 8.254 ( 0.139 -0.425 -1.497) 1.563 8.254 ( 0.139 0.425 -1.497) 1.563 8.312 ( 2.245 -4.148 0.469) 4.740 8.312 ( 2.245 4.148 0.469) 4.740 8.365 ( 0.994 -3.831 -0.456) 3.984 8.365 ( 0.994 3.831 -0.456) 3.984 8.500 ( -2.947 -3.565 0.350) 4.639 8.500 ( -2.947 3.565 0.350) 4.639 8.630 ( 1.399 -0.800 -4.886) 5.144 8.630 ( 1.399 0.800 -4.886) 5.144 8.755 ( -0.285 -4.669 0.956) 4.774 8.755 ( -0.285 4.669 0.956) 4.774 8.825 ( -0.486 -2.106 -5.302) 5.725 8.825 ( -0.486 2.106 -5.302) 5.725 8.912 ( -0.892 -4.302 -4.050) 5.976 8.912 ( -0.892 4.302 -4.050) 5.976 9.154 ( -0.597 -1.800 -0.062) 1.898 9.154 ( -0.597 1.800 -0.062) 1.898 9.338 ( 0.203 -1.484 -2.602) 3.002 9.338 ( 0.203 1.484 -2.602) 3.002 9.538 ( 1.419 -4.491 2.753) 5.455 9.538 ( 1.419 4.491 2.753) 5.455 9.591 ( -2.488 -2.581 -2.872) 4.593 9.591 ( -2.488 2.581 -2.872) 4.593 9.811 ( 0.038 -1.531 1.192) 1.940 9.811 ( 0.038 1.531 1.192) 1.940 9.944 ( -1.519 -5.211 3.363) 6.386 9.944 ( -1.519 5.211 3.363) 6.386 10.061 ( -3.129 -4.311 6.358) 8.294 10.061 ( -3.129 4.311 6.358) 8.294 10.163 ( -1.716 -1.283 2.349) 3.180 10.163 ( -1.716 1.283 2.349) 3.180 10.347 ( 2.173 -9.154 -6.780) 11.597 10.347 ( 2.173 9.154 -6.780) 11.597 10.475 ( 2.345 -3.166 2.555) 4.696 10.475 ( 2.345 3.166 2.555) 4.696 10.513 ( -2.711 -2.482 5.998) 7.034 10.513 ( -2.711 2.482 5.998) 7.034 10.693 ( 2.211 -4.745 0.335) 5.246 10.693 ( 2.211 4.745 0.335) 5.246 10.826 ( 0.765 -4.529 -5.426) 7.109 10.826 ( 0.765 4.529 -5.426) 7.109 10.915 ( 3.192 -1.455 0.386) 3.529 10.915 ( 3.192 1.455 0.386) 3.529 11.028 ( 2.606 -1.744 1.253) 3.377 11.028 ( 2.606 1.744 1.253) 3.377 11.138 ( -4.363 -2.559 -8.022) 9.484 11.138 ( -4.363 2.559 -8.022) 9.484 11.642 ( 1.582 -0.927 2.514) 3.111 11.642 ( 1.582 0.927 2.514) 3.111 11.766 ( 1.262 -0.996 -1.834) 2.439 11.766 ( 1.262 0.996 -1.834) 2.439 11.940 ( -3.123 -0.361 0.509) 3.185 11.940 ( -3.123 0.361 0.509) 3.185 12.267 ( 0.595 -0.799 0.614) 1.170 12.267 ( 0.595 0.799 0.614) 1.170 12.612 ( -0.017 -1.638 0.318) 1.669 12.612 ( -0.017 1.638 0.318) 1.669 12.715 ( 1.729 -2.869 1.004) 3.497 12.715 ( 1.729 2.869 1.004) 3.497 12.871 ( -3.454 -9.094 2.657) 10.084 12.871 ( -3.454 9.094 2.657) 10.084 12.983 ( 2.571 -7.599 -1.598) 8.180 12.983 ( 2.571 7.599 -1.598) 8.180 13.300 ( -0.013 -2.167 3.359) 3.997 13.300 ( -0.013 2.167 3.359) 3.997 13.372 ( -1.563 -1.658 -3.353) 4.054 13.372 ( -1.563 1.658 -3.353) 4.054 13.505 ( 3.996 -4.446 1.712) 6.218 13.505 ( 3.996 4.446 1.712) 6.218 13.538 ( -1.271 -5.987 -1.676) 6.346 13.538 ( -1.271 5.987 -1.676) 6.346 13.773 ( -1.922 -1.073 0.025) 2.202 13.773 ( -1.922 1.073 0.025) 2.202 13.852 ( 2.954 -0.489 1.016) 3.161 13.852 ( 2.954 0.489 1.016) 3.161 14.058 ( -1.922 -1.818 -1.883) 3.247 14.058 ( -1.922 1.818 -1.883) 3.247 14.212 ( -0.755 -0.297 -0.092) 0.816 14.212 ( -0.755 0.297 -0.092) 0.816 14.976 ( -0.162 -0.906 0.325) 0.977 14.976 ( -0.162 0.906 0.325) 0.977 15.110 ( -0.218 -0.202 -0.441) 0.532 15.110 ( -0.218 0.202 -0.441) 0.532 15.619 ( 0.316 -1.542 0.096) 1.577 15.619 ( 0.316 1.542 0.096) 1.577 15.706 ( -0.023 -0.648 -1.068) 1.250 15.706 ( -0.023 0.648 -1.068) 1.250 ======================= Grid point 103 (55/55) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -5.512 -12.281 3.169) 13.829 1.525 ( -5.512 12.281 3.169) 13.829 1.739 ( -3.316 -3.413 -6.112) 7.747 1.739 ( -3.316 3.413 -6.112) 7.747 1.882 ( 6.477 -5.761 -3.322) 9.283 1.882 ( 6.477 5.761 -3.322) 9.283 1.930 ( -3.112 -4.676 3.660) 6.704 1.930 ( -3.112 4.676 3.660) 6.704 1.984 ( -1.637 -7.272 2.390) 7.828 1.984 ( -1.637 7.272 2.390) 7.828 2.089 ( 0.140 -0.435 -0.701) 0.837 2.089 ( 0.140 0.435 -0.701) 0.837 2.209 ( 3.063 -3.362 -1.740) 4.870 2.209 ( 3.063 3.362 -1.740) 4.870 2.311 ( 0.899 -0.921 1.095) 1.689 2.311 ( 0.899 0.921 1.095) 1.689 2.364 ( 0.729 -1.632 -1.070) 2.083 2.364 ( 0.729 1.632 -1.070) 2.083 2.414 ( 0.940 -1.266 1.079) 1.911 2.414 ( 0.940 1.266 1.079) 1.911 2.532 ( 0.724 -3.012 2.512) 3.989 2.532 ( 0.724 3.012 2.512) 3.989 2.555 ( 1.202 -1.695 2.390) 3.167 2.555 ( 1.202 1.695 2.390) 3.167 2.660 ( 4.655 -3.816 -2.187) 6.404 2.660 ( 4.655 3.816 -2.187) 6.404 2.721 ( 3.718 -1.795 0.606) 4.173 2.721 ( 3.718 1.795 0.606) 4.173 2.751 ( -0.814 -2.646 -3.622) 4.559 2.751 ( -0.814 2.646 -3.622) 4.559 2.827 ( 1.239 -1.130 1.076) 1.992 2.827 ( 1.239 1.130 1.076) 1.992 2.895 ( -0.734 -1.730 2.324) 2.989 2.895 ( -0.734 1.730 2.324) 2.989 3.030 ( -1.057 -3.897 -1.809) 4.424 3.030 ( -1.057 3.897 -1.809) 4.424 3.121 ( -1.540 -4.987 2.847) 5.945 3.121 ( -1.540 4.987 2.847) 5.945 3.226 ( 1.103 -5.026 1.107) 5.263 3.226 ( 1.103 5.026 1.107) 5.263 3.328 ( -0.932 -1.822 -0.342) 2.075 3.328 ( -0.932 1.822 -0.342) 2.075 3.496 ( -1.569 -1.904 -3.288) 4.111 3.496 ( -1.569 1.904 -3.288) 4.111 3.602 ( -1.804 -0.851 2.531) 3.222 3.602 ( -1.804 0.851 2.531) 3.222 3.786 ( -0.140 -1.353 0.171) 1.371 3.786 ( -0.140 1.353 0.171) 1.371 3.878 ( 3.886 -1.462 -0.766) 4.222 3.878 ( 3.886 1.462 -0.766) 4.222 4.034 ( 2.975 -0.931 -1.737) 3.568 4.034 ( 2.975 0.931 -1.737) 3.568 4.398 ( -1.624 -1.246 0.972) 2.266 4.398 ( -1.624 1.246 0.972) 2.266 4.607 ( -0.251 -2.692 0.607) 2.771 4.607 ( -0.251 2.692 0.607) 2.771 4.703 ( -5.073 -4.690 0.969) 6.977 4.703 ( -5.073 4.690 0.969) 6.977 4.801 ( -3.471 -3.999 -2.261) 5.758 4.801 ( -3.471 3.999 -2.261) 5.758 4.985 ( 5.272 -2.542 3.082) 6.614 4.985 ( 5.272 2.542 3.082) 6.614 5.282 ( 1.034 -0.312 -0.743) 1.311 5.282 ( 1.034 0.312 -0.743) 1.311 5.420 ( -0.268 -5.894 1.339) 6.050 5.420 ( -0.268 5.894 1.339) 6.050 5.551 ( -0.426 -11.710 0.161) 11.719 5.551 ( -0.426 11.710 0.161) 11.719 5.724 ( -6.570 -14.101 1.024) 15.590 5.724 ( -6.570 14.101 1.024) 15.590 5.789 ( -0.329 -7.872 -1.243) 7.977 5.789 ( -0.329 7.872 -1.243) 7.977 5.892 ( 1.929 -1.871 0.214) 2.695 5.892 ( 1.929 1.871 0.214) 2.695 6.052 ( 1.957 -8.168 2.882) 8.879 6.052 ( 1.957 8.168 2.882) 8.879 6.167 ( -0.169 -6.376 -1.140) 6.479 6.167 ( -0.169 6.376 -1.140) 6.479 6.349 ( 1.554 -4.842 0.512) 5.111 6.349 ( 1.554 4.842 0.512) 5.111 6.480 ( -2.180 -6.479 2.381) 7.239 6.480 ( -2.180 6.479 2.381) 7.239 6.525 ( 2.055 -4.895 -1.887) 5.634 6.525 ( 2.055 4.895 -1.887) 5.634 6.797 ( -1.441 -1.906 1.368) 2.753 6.797 ( -1.441 1.906 1.368) 2.753 6.846 ( -2.009 -2.103 -3.867) 4.839 6.846 ( -2.009 2.103 -3.867) 4.839 7.056 ( -6.516 -9.578 0.739) 11.608 7.056 ( -6.516 9.578 0.739) 11.608 7.328 ( -2.241 -4.923 -1.761) 5.688 7.328 ( -2.241 4.923 -1.761) 5.688 7.501 ( -0.817 -1.828 4.200) 4.653 7.501 ( -0.817 1.828 4.200) 4.653 7.638 ( 3.397 -1.950 -0.634) 3.968 7.638 ( 3.397 1.950 -0.634) 3.968 7.703 ( 1.285 -1.029 -2.438) 2.941 7.703 ( 1.285 1.029 -2.438) 2.941 7.867 ( -0.246 -0.271 0.812) 0.891 7.867 ( -0.246 0.271 0.812) 0.891 8.021 ( 1.235 -1.868 2.024) 3.018 8.021 ( 1.235 1.868 2.024) 3.018 8.095 ( 0.551 -3.064 -0.137) 3.116 8.095 ( 0.551 3.064 -0.137) 3.116 8.195 ( -3.993 -1.315 0.266) 4.212 8.195 ( -3.993 1.315 0.266) 4.212 8.327 ( -4.130 -5.540 -3.220) 7.624 8.327 ( -4.130 5.540 -3.220) 7.624 8.394 ( -2.769 -7.062 2.190) 7.895 8.394 ( -2.769 7.062 2.190) 7.895 8.407 ( 4.184 -3.273 -3.888) 6.583 8.407 ( 4.184 3.273 -3.888) 6.583 8.599 ( -2.188 -4.476 0.216) 4.987 8.599 ( -2.188 4.476 0.216) 4.987 8.732 ( 0.440 -1.643 -1.184) 2.073 8.732 ( 0.440 1.643 -1.184) 2.073 8.837 ( 1.852 -3.932 0.145) 4.349 8.837 ( 1.852 3.932 0.145) 4.349 8.928 ( 2.650 -0.899 -1.640) 3.243 8.928 ( 2.650 0.899 -1.640) 3.243 9.144 ( -0.165 -2.963 0.686) 3.046 9.144 ( -0.165 2.963 0.686) 3.046 9.341 ( -0.969 -1.572 -0.842) 2.029 9.341 ( -0.969 1.572 -0.842) 2.029 9.507 ( -1.208 -1.959 -0.701) 2.406 9.507 ( -1.208 1.959 -0.701) 2.406 9.576 ( -1.687 -4.383 0.693) 4.748 9.576 ( -1.687 4.383 0.693) 4.748 9.769 ( -1.210 -8.572 1.857) 8.854 9.769 ( -1.210 8.572 1.857) 8.854 9.867 ( -6.713 -10.752 2.043) 12.839 9.867 ( -6.713 10.752 2.043) 12.839 10.018 ( -2.479 -5.817 5.210) 8.194 10.018 ( -2.479 5.817 5.210) 8.194 10.257 ( 4.691 -6.415 2.323) 8.280 10.257 ( 4.691 6.415 2.323) 8.280 10.348 ( 2.517 -8.857 -0.590) 9.226 10.348 ( 2.517 8.857 -0.590) 9.226 10.476 ( 1.461 -5.330 3.847) 6.734 10.476 ( 1.461 5.330 3.847) 6.734 10.609 ( 2.553 -4.209 5.379) 7.292 10.609 ( 2.553 4.209 5.379) 7.292 10.706 ( 1.685 -2.348 -5.861) 6.535 10.706 ( 1.685 2.348 -5.861) 6.535 10.808 ( -3.316 -3.068 -5.094) 6.808 10.808 ( -3.316 3.068 -5.094) 6.808 10.933 ( -0.327 -6.558 -5.757) 8.733 10.933 ( -0.327 6.558 -5.757) 8.733 11.118 ( 5.551 -2.599 -0.780) 6.179 11.118 ( 5.551 2.599 -0.780) 6.179 11.219 ( 11.718 -1.838 1.246) 11.927 11.219 ( 11.718 1.838 1.246) 11.927 11.658 ( 0.094 -1.514 -2.430) 2.865 11.658 ( 0.094 1.514 -2.430) 2.865 11.739 ( -1.307 -0.700 -1.672) 2.235 11.739 ( -1.307 0.700 -1.672) 2.235 12.028 ( 7.246 -0.788 5.021) 8.851 12.028 ( 7.246 0.788 5.021) 8.851 12.370 ( 8.934 -1.032 -2.015) 9.216 12.370 ( 8.934 1.032 -2.015) 9.216 12.620 ( 0.102 -3.502 -0.075) 3.504 12.620 ( 0.102 3.502 -0.075) 3.504 12.699 ( -4.623 -5.194 -2.278) 7.317 12.699 ( -4.623 5.194 -2.278) 7.317 12.843 ( 0.656 -10.998 4.493) 11.898 12.843 ( 0.656 10.998 4.493) 11.898 12.998 ( -0.722 -11.697 -2.236) 11.931 12.998 ( -0.722 11.697 -2.236) 11.931 13.237 ( -4.657 -4.628 -0.762) 6.610 13.237 ( -4.657 4.628 -0.762) 6.610 13.268 ( -4.664 -5.351 1.027) 7.173 13.268 ( -4.664 5.351 1.027) 7.173 13.503 ( -1.636 -10.691 0.336) 10.821 13.503 ( -1.636 10.691 0.336) 10.821 13.608 ( -2.975 -8.675 -2.291) 9.453 13.608 ( -2.975 8.675 -2.291) 9.453 13.717 ( 1.924 -2.954 -0.237) 3.534 13.717 ( 1.924 2.954 -0.237) 3.534 13.831 ( -1.049 -5.638 -1.890) 6.038 13.831 ( -1.049 5.638 -1.890) 6.038 14.117 ( 5.472 -7.336 2.672) 9.534 14.117 ( 5.472 7.336 2.672) 9.534 14.283 ( 5.173 -9.746 1.581) 11.146 14.283 ( 5.173 9.746 1.581) 11.146 14.926 ( -4.351 -1.812 0.399) 4.731 14.926 ( -4.351 1.812 0.399) 4.731 15.051 ( -4.251 -2.343 -0.198) 4.857 15.051 ( -4.251 2.343 -0.198) 4.857 15.562 ( -3.905 -2.124 0.093) 4.446 15.562 ( -3.905 2.124 0.093) 4.446 15.735 ( 1.747 -1.390 -0.793) 2.369 15.735 ( 1.747 1.390 -0.793) 2.369 =================== 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 3/30720 10.0 580.687 909.883 984.288 0.000 -11.497 0.000 3/30720 20.0 108.127 213.823 187.173 0.000 -4.192 0.000 3/30720 30.0 35.463 76.731 64.672 0.000 -1.654 0.000 3/30720 40.0 17.767 40.128 33.166 0.000 -0.892 0.000 3/30720 50.0 11.009 25.420 20.636 0.000 -0.568 0.000 3/30720 60.0 7.675 17.923 14.298 0.000 -0.396 0.000 3/30720 70.0 5.759 13.524 10.615 0.000 -0.294 0.000 3/30720 80.0 4.547 10.703 8.281 0.000 -0.228 0.000 3/30720 90.0 3.727 8.778 6.707 0.000 -0.184 0.000 3/30720 100.0 3.143 7.401 5.595 0.000 -0.154 0.000 3/30720 110.0 2.711 6.380 4.779 0.000 -0.131 0.000 3/30720 120.0 2.382 5.598 4.160 0.000 -0.114 0.000 3/30720 130.0 2.123 4.984 3.679 0.000 -0.101 0.000 3/30720 140.0 1.916 4.491 3.295 0.000 -0.091 0.000 3/30720 150.0 1.747 4.087 2.983 0.000 -0.082 0.000 3/30720 160.0 1.606 3.752 2.726 0.000 -0.075 0.000 3/30720 170.0 1.487 3.468 2.510 0.000 -0.069 0.000 3/30720 180.0 1.385 3.226 2.326 0.000 -0.064 0.000 3/30720 190.0 1.297 3.016 2.168 0.000 -0.060 0.000 3/30720 200.0 1.220 2.833 2.030 0.000 -0.056 0.000 3/30720 210.0 1.152 2.672 1.910 0.000 -0.053 0.000 3/30720 220.0 1.092 2.528 1.803 0.000 -0.050 0.000 3/30720 230.0 1.038 2.400 1.708 0.000 -0.047 0.000 3/30720 240.0 0.990 2.285 1.623 0.000 -0.045 0.000 3/30720 250.0 0.946 2.181 1.547 0.000 -0.043 0.000 3/30720 260.0 0.906 2.087 1.477 0.000 -0.041 0.000 3/30720 270.0 0.869 2.000 1.414 0.000 -0.039 0.000 3/30720 280.0 0.835 1.921 1.356 0.000 -0.038 0.000 3/30720 290.0 0.804 1.848 1.303 0.000 -0.036 0.000 3/30720 300.0 0.776 1.780 1.254 0.000 -0.035 0.000 3/30720 310.0 0.749 1.718 1.209 0.000 -0.034 0.000 3/30720 320.0 0.724 1.659 1.167 0.000 -0.032 0.000 3/30720 330.0 0.701 1.605 1.128 0.000 -0.031 0.000 3/30720 340.0 0.679 1.554 1.091 0.000 -0.030 0.000 3/30720 350.0 0.659 1.507 1.057 0.000 -0.029 0.000 3/30720 360.0 0.640 1.462 1.025 0.000 -0.028 0.000 3/30720 370.0 0.622 1.420 0.995 0.000 -0.028 0.000 3/30720 380.0 0.605 1.381 0.967 0.000 -0.027 0.000 3/30720 390.0 0.589 1.343 0.940 0.000 -0.026 0.000 3/30720 400.0 0.574 1.308 0.915 0.000 -0.025 0.000 3/30720 410.0 0.559 1.275 0.891 0.000 -0.025 0.000 3/30720 420.0 0.545 1.243 0.868 0.000 -0.024 0.000 3/30720 430.0 0.532 1.213 0.847 0.000 -0.024 0.000 3/30720 440.0 0.520 1.184 0.826 0.000 -0.023 0.000 3/30720 450.0 0.508 1.156 0.807 0.000 -0.022 0.000 3/30720 460.0 0.497 1.130 0.789 0.000 -0.022 0.000 3/30720 470.0 0.486 1.105 0.771 0.000 -0.021 0.000 3/30720 480.0 0.476 1.082 0.754 0.000 -0.021 0.000 3/30720 490.0 0.466 1.059 0.738 0.000 -0.021 0.000 3/30720 500.0 0.456 1.037 0.722 0.000 -0.020 0.000 3/30720 510.0 0.447 1.016 0.708 0.000 -0.020 0.000 3/30720 520.0 0.438 0.996 0.693 0.000 -0.019 0.000 3/30720 530.0 0.430 0.976 0.680 0.000 -0.019 0.000 3/30720 540.0 0.422 0.958 0.667 0.000 -0.019 0.000 3/30720 550.0 0.414 0.940 0.654 0.000 -0.018 0.000 3/30720 560.0 0.407 0.923 0.642 0.000 -0.018 0.000 3/30720 570.0 0.399 0.906 0.630 0.000 -0.018 0.000 3/30720 580.0 0.392 0.890 0.619 0.000 -0.017 0.000 3/30720 590.0 0.386 0.875 0.608 0.000 -0.017 0.000 3/30720 600.0 0.379 0.860 0.598 0.000 -0.017 0.000 3/30720 610.0 0.373 0.845 0.588 0.000 -0.016 0.000 3/30720 620.0 0.367 0.831 0.578 0.000 -0.016 0.000 3/30720 630.0 0.361 0.818 0.568 0.000 -0.016 0.000 3/30720 640.0 0.355 0.805 0.559 0.000 -0.016 0.000 3/30720 650.0 0.350 0.792 0.550 0.000 -0.015 0.000 3/30720 660.0 0.344 0.780 0.542 0.000 -0.015 0.000 3/30720 670.0 0.339 0.768 0.534 0.000 -0.015 0.000 3/30720 680.0 0.334 0.757 0.526 0.000 -0.015 0.000 3/30720 690.0 0.329 0.746 0.518 0.000 -0.014 0.000 3/30720 700.0 0.324 0.735 0.510 0.000 -0.014 0.000 3/30720 710.0 0.320 0.724 0.503 0.000 -0.014 0.000 3/30720 720.0 0.315 0.714 0.496 0.000 -0.014 0.000 3/30720 730.0 0.311 0.704 0.489 0.000 -0.014 0.000 3/30720 740.0 0.307 0.694 0.482 0.000 -0.013 0.000 3/30720 750.0 0.303 0.685 0.475 0.000 -0.013 0.000 3/30720 760.0 0.299 0.676 0.469 0.000 -0.013 0.000 3/30720 770.0 0.295 0.667 0.463 0.000 -0.013 0.000 3/30720 780.0 0.291 0.658 0.457 0.000 -0.013 0.000 3/30720 790.0 0.287 0.650 0.451 0.000 -0.013 0.000 3/30720 800.0 0.284 0.642 0.445 0.000 -0.012 0.000 3/30720 810.0 0.280 0.634 0.440 0.000 -0.012 0.000 3/30720 820.0 0.277 0.626 0.434 0.000 -0.012 0.000 3/30720 830.0 0.273 0.618 0.429 0.000 -0.012 0.000 3/30720 840.0 0.270 0.611 0.424 0.000 -0.012 0.000 3/30720 850.0 0.267 0.604 0.419 0.000 -0.012 0.000 3/30720 860.0 0.264 0.596 0.414 0.000 -0.012 0.000 3/30720 870.0 0.261 0.590 0.409 0.000 -0.011 0.000 3/30720 880.0 0.258 0.583 0.404 0.000 -0.011 0.000 3/30720 890.0 0.255 0.576 0.399 0.000 -0.011 0.000 3/30720 900.0 0.252 0.570 0.395 0.000 -0.011 0.000 3/30720 910.0 0.249 0.563 0.391 0.000 -0.011 0.000 3/30720 920.0 0.246 0.557 0.386 0.000 -0.011 0.000 3/30720 930.0 0.244 0.551 0.382 0.000 -0.011 0.000 3/30720 940.0 0.241 0.545 0.378 0.000 -0.011 0.000 3/30720 950.0 0.239 0.539 0.374 0.000 -0.010 0.000 3/30720 960.0 0.236 0.534 0.370 0.000 -0.010 0.000 3/30720 970.0 0.234 0.528 0.366 0.000 -0.010 0.000 3/30720 980.0 0.231 0.523 0.362 0.000 -0.010 0.000 3/30720 990.0 0.229 0.517 0.359 0.000 -0.010 0.000 3/30720 1000.0 0.227 0.512 0.355 0.000 -0.010 0.000 3/30720 Thermal conductivity related properties were written into "kappa-m485.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:17:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|