----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:08:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.072936621144423 0.000000000000000 0.000000000000000 b 0.000000000000000 11.784042839999998 0.000000000000000 c -1.089838450300700 0.000000000000000 6.460758139018701 Atomic positions (fractional): *1 O 0.37045476548371 0.55167345311108 0.87732432406870 15.999 2 O 0.62954523451629 0.05167345311108 0.62267567593130 15.999 3 O 0.62954523451629 0.44832654688892 0.12267567593130 15.999 4 O 0.37045476548371 0.94832654688892 0.37732432406870 15.999 *5 O 0.41305559558192 0.55799094130911 0.31837850161175 15.999 6 O 0.58694440441808 0.05799094130911 0.18162149838825 15.999 7 O 0.58694440441808 0.44200905869089 0.68162149838825 15.999 8 O 0.41305559558192 0.94200905869089 0.81837850161175 15.999 *9 O 0.28367139788519 0.72965380779648 0.12703896040989 15.999 10 O 0.71632860211481 0.22965380779648 0.37296103959011 15.999 11 O 0.71632860211481 0.27034619220352 0.87296103959011 15.999 12 O 0.28367139788519 0.77034619220352 0.62703896040989 15.999 *13 O 0.54977119224235 0.70666663549611 0.07986962900350 15.999 14 O 0.45022880775765 0.20666663549611 0.42013037099650 15.999 15 O 0.45022880775765 0.29333336450389 0.92013037099650 15.999 16 O 0.54977119224235 0.79333336450389 0.57986962900350 15.999 *17 O 0.98135570709325 0.18935694406973 0.82114460141567 15.999 18 O 0.01864429290675 0.68935694406973 0.67885539858433 15.999 19 O 0.01864429290675 0.81064305593027 0.17885539858433 15.999 20 O 0.98135570709325 0.31064305593027 0.32114460141567 15.999 *21 O 0.04602282271402 0.53645681387994 0.23067161913232 15.999 22 O 0.95397717728598 0.03645681387994 0.26932838086768 15.999 23 O 0.95397717728598 0.46354318612006 0.76932838086768 15.999 24 O 0.04602282271402 0.96354318612006 0.73067161913232 15.999 *25 O 0.22407144893336 0.41795449529118 0.51739337784589 15.999 26 O 0.77592855106664 0.91795449529118 0.98260662215411 15.999 27 O 0.77592855106664 0.58204550470882 0.48260662215411 15.999 28 O 0.22407144893336 0.08204550470882 0.01739337784589 15.999 *29 O 0.20568591177728 0.35013239548222 0.13193937297592 15.999 30 O 0.79431408822272 0.85013239548222 0.36806062702408 15.999 31 O 0.79431408822272 0.64986760451778 0.86806062702408 15.999 32 O 0.20568591177728 0.14986760451778 0.63193937297592 15.999 *33 As 0.40382573617498 0.63165874982549 0.09024884831100 74.922 34 As 0.59617426382502 0.13165874982549 0.40975115168900 74.922 35 As 0.59617426382502 0.36834125017451 0.90975115168900 74.922 36 As 0.40382573617498 0.86834125017451 0.59024884831100 74.922 *37 As 0.10460081233715 0.09770733389228 0.79886099023626 74.922 38 As 0.89539918766285 0.59770733389228 0.70113900976374 74.922 39 As 0.89539918766285 0.90229266610772 0.20113900976374 74.922 40 As 0.10460081233715 0.40229266610772 0.29886099023626 74.922 *41 Hg 0.16042695236794 0.83240600804207 0.90662891188692 200.590 42 Hg 0.83957304763206 0.33240600804207 0.59337108811308 200.590 43 Hg 0.83957304763206 0.16759399195793 0.09337108811307 200.590 44 Hg 0.16042695236794 0.66759399195793 0.40662891188693 200.590 *45 Hg 0.20262116730030 0.10799708729304 0.32259598545695 200.590 46 Hg 0.79737883269970 0.60799708729304 0.17740401454305 200.590 47 Hg 0.79737883269970 0.89200291270696 0.67740401454305 200.590 48 Hg 0.20262116730030 0.39200291270696 0.82259598545695 200.590 *49 Hg 0.54652937178518 0.87976002975222 0.16704674126867 200.590 50 Hg 0.45347062821482 0.37976002975222 0.33295325873133 200.590 51 Hg 0.45347062821482 0.12023997024778 0.83295325873133 200.590 52 Hg 0.54652937178518 0.62023997024778 0.66704674126867 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.072936621144423 0.000000000000000 0.000000000000000 b 0.000000000000000 11.784042839999998 0.000000000000000 c -1.089838450300700 0.000000000000000 6.460758139018701 Atomic positions (fractional): *1 O 0.37045476548371 0.55167345311108 0.87732432406870 15.999 > 1 2 O 0.62954523451629 0.05167345311108 0.62267567593130 15.999 > 2 3 O 0.62954523451629 0.44832654688892 0.12267567593130 15.999 > 3 4 O 0.37045476548371 0.94832654688892 0.37732432406870 15.999 > 4 *5 O 0.41305559558192 0.55799094130911 0.31837850161175 15.999 > 5 6 O 0.58694440441808 0.05799094130911 0.18162149838825 15.999 > 6 7 O 0.58694440441808 0.44200905869089 0.68162149838825 15.999 > 7 8 O 0.41305559558192 0.94200905869089 0.81837850161175 15.999 > 8 *9 O 0.28367139788519 0.72965380779648 0.12703896040989 15.999 > 9 10 O 0.71632860211481 0.22965380779648 0.37296103959011 15.999 > 10 11 O 0.71632860211481 0.27034619220352 0.87296103959011 15.999 > 11 12 O 0.28367139788519 0.77034619220352 0.62703896040989 15.999 > 12 *13 O 0.54977119224235 0.70666663549611 0.07986962900350 15.999 > 13 14 O 0.45022880775765 0.20666663549611 0.42013037099650 15.999 > 14 15 O 0.45022880775765 0.29333336450389 0.92013037099650 15.999 > 15 16 O 0.54977119224235 0.79333336450389 0.57986962900350 15.999 > 16 *17 O 0.98135570709325 0.18935694406973 0.82114460141567 15.999 > 17 18 O 0.01864429290675 0.68935694406973 0.67885539858433 15.999 > 18 19 O 0.01864429290675 0.81064305593027 0.17885539858433 15.999 > 19 20 O 0.98135570709325 0.31064305593027 0.32114460141567 15.999 > 20 *21 O 0.04602282271402 0.53645681387994 0.23067161913232 15.999 > 21 22 O 0.95397717728598 0.03645681387994 0.26932838086768 15.999 > 22 23 O 0.95397717728598 0.46354318612006 0.76932838086768 15.999 > 23 24 O 0.04602282271402 0.96354318612006 0.73067161913232 15.999 > 24 *25 O 0.22407144893336 0.41795449529118 0.51739337784589 15.999 > 25 26 O 0.77592855106664 0.91795449529118 0.98260662215411 15.999 > 26 27 O 0.77592855106664 0.58204550470882 0.48260662215411 15.999 > 27 28 O 0.22407144893336 0.08204550470882 0.01739337784589 15.999 > 28 *29 O 0.20568591177728 0.35013239548222 0.13193937297592 15.999 > 29 30 O 0.79431408822272 0.85013239548222 0.36806062702408 15.999 > 30 31 O 0.79431408822272 0.64986760451778 0.86806062702408 15.999 > 31 32 O 0.20568591177728 0.14986760451778 0.63193937297592 15.999 > 32 *33 As 0.40382573617498 0.63165874982549 0.09024884831100 74.922 > 33 34 As 0.59617426382502 0.13165874982549 0.40975115168900 74.922 > 34 35 As 0.59617426382502 0.36834125017451 0.90975115168900 74.922 > 35 36 As 0.40382573617498 0.86834125017451 0.59024884831100 74.922 > 36 *37 As 0.10460081233715 0.09770733389228 0.79886099023626 74.922 > 37 38 As 0.89539918766285 0.59770733389228 0.70113900976374 74.922 > 38 39 As 0.89539918766285 0.90229266610772 0.20113900976374 74.922 > 39 40 As 0.10460081233715 0.40229266610772 0.29886099023626 74.922 > 40 *41 Hg 0.16042695236794 0.83240600804207 0.90662891188692 200.590 > 41 42 Hg 0.83957304763206 0.33240600804207 0.59337108811308 200.590 > 42 43 Hg 0.83957304763206 0.16759399195793 0.09337108811307 200.590 > 43 44 Hg 0.16042695236794 0.66759399195793 0.40662891188693 200.590 > 44 *45 Hg 0.20262116730030 0.10799708729304 0.32259598545695 200.590 > 45 46 Hg 0.79737883269970 0.60799708729304 0.17740401454305 200.590 > 46 47 Hg 0.79737883269970 0.89200291270696 0.67740401454305 200.590 > 47 48 Hg 0.20262116730030 0.39200291270696 0.82259598545695 200.590 > 48 *49 Hg 0.54652937178518 0.87976002975222 0.16704674126867 200.590 > 49 50 Hg 0.45347062821482 0.37976002975222 0.33295325873133 200.590 > 50 51 Hg 0.45347062821482 0.12023997024778 0.83295325873133 200.590 > 51 52 Hg 0.54652937178518 0.62023997024778 0.66704674126867 200.590 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.072936621144423 0.000000000000000 0.000000000000000 b 0.000000000000000 11.784042839999998 0.000000000000000 c -2.179676900601400 0.000000000000000 12.921516278037402 Atomic positions (fractional): *1 O 0.37045476548371 0.55167345311108 0.43866216203435 15.999 > 1 2 O 0.37045476548371 0.55167345311108 0.93866216203435 15.999 > 1 3 O 0.62954523451629 0.05167345311108 0.31133783796565 15.999 > 2 4 O 0.62954523451629 0.05167345311108 0.81133783796565 15.999 > 2 5 O 0.62954523451629 0.44832654688892 0.06133783796565 15.999 > 3 6 O 0.62954523451629 0.44832654688892 0.56133783796565 15.999 > 3 7 O 0.37045476548371 0.94832654688892 0.18866216203435 15.999 > 4 8 O 0.37045476548371 0.94832654688892 0.68866216203435 15.999 > 4 *9 O 0.41305559558192 0.55799094130911 0.15918925080587 15.999 > 5 10 O 0.41305559558192 0.55799094130911 0.65918925080587 15.999 > 5 11 O 0.58694440441808 0.05799094130911 0.09081074919413 15.999 > 6 12 O 0.58694440441808 0.05799094130911 0.59081074919413 15.999 > 6 13 O 0.58694440441808 0.44200905869089 0.34081074919413 15.999 > 7 14 O 0.58694440441808 0.44200905869089 0.84081074919413 15.999 > 7 15 O 0.41305559558192 0.94200905869089 0.40918925080587 15.999 > 8 16 O 0.41305559558192 0.94200905869089 0.90918925080587 15.999 > 8 *17 O 0.28367139788519 0.72965380779648 0.06351948020495 15.999 > 9 18 O 0.28367139788519 0.72965380779648 0.56351948020495 15.999 > 9 19 O 0.71632860211481 0.22965380779648 0.18648051979505 15.999 > 10 20 O 0.71632860211481 0.22965380779648 0.68648051979505 15.999 > 10 21 O 0.71632860211481 0.27034619220352 0.43648051979505 15.999 > 11 22 O 0.71632860211481 0.27034619220352 0.93648051979505 15.999 > 11 23 O 0.28367139788519 0.77034619220352 0.31351948020495 15.999 > 12 24 O 0.28367139788519 0.77034619220352 0.81351948020495 15.999 > 12 *25 O 0.54977119224235 0.70666663549611 0.03993481450175 15.999 > 13 26 O 0.54977119224235 0.70666663549611 0.53993481450175 15.999 > 13 27 O 0.45022880775765 0.20666663549611 0.21006518549825 15.999 > 14 28 O 0.45022880775765 0.20666663549611 0.71006518549825 15.999 > 14 29 O 0.45022880775765 0.29333336450389 0.46006518549825 15.999 > 15 30 O 0.45022880775765 0.29333336450389 0.96006518549825 15.999 > 15 31 O 0.54977119224235 0.79333336450389 0.28993481450175 15.999 > 16 32 O 0.54977119224235 0.79333336450389 0.78993481450175 15.999 > 16 *33 O 0.98135570709325 0.18935694406973 0.41057230070783 15.999 > 17 34 O 0.98135570709325 0.18935694406973 0.91057230070783 15.999 > 17 35 O 0.01864429290675 0.68935694406973 0.33942769929217 15.999 > 18 36 O 0.01864429290675 0.68935694406973 0.83942769929217 15.999 > 18 37 O 0.01864429290675 0.81064305593027 0.08942769929217 15.999 > 19 38 O 0.01864429290675 0.81064305593027 0.58942769929217 15.999 > 19 39 O 0.98135570709325 0.31064305593027 0.16057230070783 15.999 > 20 40 O 0.98135570709325 0.31064305593027 0.66057230070783 15.999 > 20 *41 O 0.04602282271402 0.53645681387994 0.11533580956616 15.999 > 21 42 O 0.04602282271402 0.53645681387994 0.61533580956616 15.999 > 21 43 O 0.95397717728598 0.03645681387994 0.13466419043384 15.999 > 22 44 O 0.95397717728598 0.03645681387994 0.63466419043384 15.999 > 22 45 O 0.95397717728598 0.46354318612006 0.38466419043384 15.999 > 23 46 O 0.95397717728598 0.46354318612006 0.88466419043384 15.999 > 23 47 O 0.04602282271402 0.96354318612006 0.36533580956616 15.999 > 24 48 O 0.04602282271402 0.96354318612006 0.86533580956616 15.999 > 24 *49 O 0.22407144893336 0.41795449529118 0.25869668892295 15.999 > 25 50 O 0.22407144893336 0.41795449529118 0.75869668892295 15.999 > 25 51 O 0.77592855106664 0.91795449529118 0.49130331107705 15.999 > 26 52 O 0.77592855106664 0.91795449529118 0.99130331107705 15.999 > 26 53 O 0.77592855106664 0.58204550470882 0.24130331107705 15.999 > 27 54 O 0.77592855106664 0.58204550470882 0.74130331107705 15.999 > 27 55 O 0.22407144893336 0.08204550470882 0.00869668892295 15.999 > 28 56 O 0.22407144893336 0.08204550470882 0.50869668892295 15.999 > 28 *57 O 0.20568591177728 0.35013239548222 0.06596968648796 15.999 > 29 58 O 0.20568591177728 0.35013239548222 0.56596968648796 15.999 > 29 59 O 0.79431408822272 0.85013239548222 0.18403031351204 15.999 > 30 60 O 0.79431408822272 0.85013239548222 0.68403031351204 15.999 > 30 61 O 0.79431408822272 0.64986760451778 0.43403031351204 15.999 > 31 62 O 0.79431408822272 0.64986760451778 0.93403031351204 15.999 > 31 63 O 0.20568591177728 0.14986760451778 0.31596968648796 15.999 > 32 64 O 0.20568591177728 0.14986760451778 0.81596968648796 15.999 > 32 *65 As 0.40382573617498 0.63165874982549 0.04512442415550 74.922 > 33 66 As 0.40382573617498 0.63165874982549 0.54512442415550 74.922 > 33 67 As 0.59617426382502 0.13165874982549 0.20487557584450 74.922 > 34 68 As 0.59617426382502 0.13165874982549 0.70487557584450 74.922 > 34 69 As 0.59617426382502 0.36834125017451 0.45487557584450 74.922 > 35 70 As 0.59617426382502 0.36834125017451 0.95487557584450 74.922 > 35 71 As 0.40382573617498 0.86834125017451 0.29512442415550 74.922 > 36 72 As 0.40382573617498 0.86834125017451 0.79512442415550 74.922 > 36 *73 As 0.10460081233715 0.09770733389228 0.39943049511813 74.922 > 37 74 As 0.10460081233715 0.09770733389228 0.89943049511813 74.922 > 37 75 As 0.89539918766285 0.59770733389228 0.35056950488187 74.922 > 38 76 As 0.89539918766285 0.59770733389228 0.85056950488187 74.922 > 38 77 As 0.89539918766285 0.90229266610772 0.10056950488187 74.922 > 39 78 As 0.89539918766285 0.90229266610772 0.60056950488187 74.922 > 39 79 As 0.10460081233715 0.40229266610772 0.14943049511813 74.922 > 40 80 As 0.10460081233715 0.40229266610772 0.64943049511813 74.922 > 40 *81 Hg 0.16042695236794 0.83240600804207 0.45331445594346 200.590 > 41 82 Hg 0.16042695236794 0.83240600804207 0.95331445594346 200.590 > 41 83 Hg 0.83957304763206 0.33240600804207 0.29668554405654 200.590 > 42 84 Hg 0.83957304763206 0.33240600804207 0.79668554405654 200.590 > 42 85 Hg 0.83957304763206 0.16759399195793 0.04668554405654 200.590 > 43 86 Hg 0.83957304763206 0.16759399195793 0.54668554405654 200.590 > 43 87 Hg 0.16042695236794 0.66759399195793 0.20331445594346 200.590 > 44 88 Hg 0.16042695236794 0.66759399195793 0.70331445594346 200.590 > 44 *89 Hg 0.20262116730030 0.10799708729304 0.16129799272847 200.590 > 45 90 Hg 0.20262116730030 0.10799708729304 0.66129799272847 200.590 > 45 91 Hg 0.79737883269970 0.60799708729304 0.08870200727153 200.590 > 46 92 Hg 0.79737883269970 0.60799708729304 0.58870200727153 200.590 > 46 93 Hg 0.79737883269970 0.89200291270696 0.33870200727153 200.590 > 47 94 Hg 0.79737883269970 0.89200291270696 0.83870200727153 200.590 > 47 95 Hg 0.20262116730030 0.39200291270696 0.41129799272847 200.590 > 48 96 Hg 0.20262116730030 0.39200291270696 0.91129799272847 200.590 > 48 *97 Hg 0.54652937178518 0.87976002975222 0.08352337063433 200.590 > 49 98 Hg 0.54652937178518 0.87976002975222 0.58352337063433 200.590 > 49 99 Hg 0.45347062821482 0.37976002975222 0.16647662936567 200.590 > 50 100 Hg 0.45347062821482 0.37976002975222 0.66647662936567 200.590 > 50 101 Hg 0.45347062821482 0.12023997024778 0.41647662936567 200.590 > 51 102 Hg 0.45347062821482 0.12023997024778 0.91647662936567 200.590 > 51 103 Hg 0.54652937178518 0.62023997024778 0.33352337063433 200.590 > 52 104 Hg 0.54652937178518 0.62023997024778 0.83352337063433 200.590 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5325735 0.0000000 -0.1571182 0.0000000 4.7322060 0.0000000 -0.1571175 0.0000000 4.7567298 -------------------------- Born effective charges -------------------------- 1 O -1.5677495 -0.2287382 0.1950037 -0.2762537 -1.8224728 -0.4621087 0.1540226 -0.4261659 -1.9524650 2 O -1.5677495 0.2287382 0.1950037 0.2762537 -1.8224728 0.4621087 0.1540226 0.4261659 -1.9524650 3 O -1.5677495 -0.2287382 0.1950037 -0.2762537 -1.8224728 -0.4621087 0.1540226 -0.4261659 -1.9524650 4 O -1.5677495 0.2287382 0.1950037 0.2762537 -1.8224728 0.4621087 0.1540226 0.4261659 -1.9524650 5 O -1.1425418 0.3586794 -0.0544862 0.0685197 -2.2375415 0.7725734 0.0123883 0.4256933 -2.1990787 6 O -1.1425418 -0.3586794 -0.0544862 -0.0685197 -2.2375415 -0.7725734 0.0123883 -0.4256933 -2.1990787 7 O -1.1425418 0.3586794 -0.0544862 0.0685197 -2.2375415 0.7725734 0.0123883 0.4256933 -2.1990787 8 O -1.1425418 -0.3586794 -0.0544862 -0.0685197 -2.2375415 -0.7725734 0.0123883 -0.4256933 -2.1990787 9 O -2.2484143 0.9338447 0.1345144 0.7803319 -1.8482754 0.1448005 -0.1706541 0.4928602 -1.5672647 10 O -2.2484143 -0.9338447 0.1345144 -0.7803319 -1.8482754 -0.1448005 -0.1706541 -0.4928602 -1.5672647 11 O -2.2484143 0.9338447 0.1345144 0.7803319 -1.8482754 0.1448005 -0.1706541 0.4928602 -1.5672647 12 O -2.2484143 -0.9338447 0.1345144 -0.7803319 -1.8482754 -0.1448005 -0.1706541 -0.4928602 -1.5672647 13 O -2.0628686 -0.3880149 0.0361876 -0.6457401 -2.2932424 -0.1876054 0.0021082 -0.3738798 -1.2315008 14 O -2.0628686 0.3880149 0.0361876 0.6457401 -2.2932424 0.1876054 0.0021082 0.3738798 -1.2315008 15 O -2.0628686 -0.3880149 0.0361876 -0.6457401 -2.2932424 -0.1876054 0.0021082 -0.3738798 -1.2315008 16 O -2.0628686 0.3880149 0.0361876 0.6457401 -2.2932424 0.1876054 0.0021082 0.3738798 -1.2315008 17 O -2.1559775 0.6750678 0.3100689 0.6859391 -1.9061423 0.0254369 0.1347846 0.2139882 -1.3187709 18 O -2.1559775 -0.6750678 0.3100689 -0.6859391 -1.9061423 -0.0254369 0.1347846 -0.2139882 -1.3187709 19 O -2.1559775 0.6750678 0.3100689 0.6859391 -1.9061423 0.0254369 0.1347846 0.2139882 -1.3187709 20 O -2.1559775 -0.6750678 0.3100689 -0.6859391 -1.9061423 -0.0254369 0.1347846 -0.2139882 -1.3187709 21 O -1.4293647 0.2700312 -0.1556951 0.1955827 -2.5957744 -0.0086276 -0.1812432 -0.0510881 -1.1287624 22 O -1.4293647 -0.2700312 -0.1556951 -0.1955827 -2.5957744 0.0086276 -0.1812432 0.0510881 -1.1287624 23 O -1.4293647 0.2700312 -0.1556951 0.1955827 -2.5957744 -0.0086276 -0.1812432 -0.0510881 -1.1287624 24 O -1.4293647 -0.2700312 -0.1556951 -0.1955827 -2.5957744 0.0086276 -0.1812432 0.0510881 -1.1287624 25 O -1.3887248 -0.0249345 -0.1990550 -0.0328108 -1.1235622 0.0960441 -0.4856663 -0.0195006 -2.8342651 26 O -1.3887248 0.0249345 -0.1990550 0.0328108 -1.1235622 -0.0960441 -0.4856663 0.0195006 -2.8342651 27 O -1.3887248 -0.0249345 -0.1990550 -0.0328108 -1.1235622 0.0960441 -0.4856663 -0.0195006 -2.8342651 28 O -1.3887248 0.0249345 -0.1990550 0.0328108 -1.1235622 -0.0960441 -0.4856663 0.0195006 -2.8342651 29 O -1.9568567 0.2200848 0.7123627 0.0864060 -1.2175415 0.0729690 0.9000645 -0.2713059 -2.5282010 30 O -1.9568567 -0.2200848 0.7123627 -0.0864060 -1.2175415 -0.0729690 0.9000645 0.2713059 -2.5282010 31 O -1.9568567 0.2200848 0.7123627 0.0864060 -1.2175415 0.0729690 0.9000645 -0.2713059 -2.5282010 32 O -1.9568567 -0.2200848 0.7123627 -0.0864060 -1.2175415 -0.0729690 0.9000645 0.2713059 -2.5282010 33 As 3.3795803 -0.6867419 -0.4052538 0.2560970 3.9769892 -0.3090833 0.0773972 -0.1011215 3.3433137 34 As 3.3795803 0.6867419 -0.4052538 -0.2560970 3.9769892 0.3090833 0.0773972 0.1011215 3.3433137 35 As 3.3795803 -0.6867419 -0.4052538 0.2560970 3.9769892 -0.3090833 0.0773972 -0.1011215 3.3433137 36 As 3.3795803 0.6867419 -0.4052538 -0.2560970 3.9769892 0.3090833 0.0773972 0.1011215 3.3433137 37 As 3.4186088 -0.0335048 -0.4209458 -0.0317079 3.8721946 0.4764032 -0.2200633 -0.6211029 3.6071384 38 As 3.4186088 0.0335048 -0.4209458 0.0317079 3.8721946 -0.4764032 -0.2200633 0.6211029 3.6071384 39 As 3.4186088 -0.0335048 -0.4209458 -0.0317079 3.8721946 0.4764032 -0.2200633 -0.6211029 3.6071384 40 As 3.4186088 0.0335048 -0.4209458 0.0317079 3.8721946 -0.4764032 -0.2200633 0.6211029 3.6071384 41 Hg 2.5628031 -0.2612558 -0.0480189 -0.4129181 2.5191927 -0.3289451 -0.0490606 -0.0758185 2.4478896 42 Hg 2.5628031 0.2612558 -0.0480189 0.4129181 2.5191927 0.3289451 -0.0490606 0.0758185 2.4478896 43 Hg 2.5628031 -0.2612558 -0.0480189 -0.4129181 2.5191927 -0.3289451 -0.0490606 -0.0758185 2.4478896 44 Hg 2.5628031 0.2612558 -0.0480189 0.4129181 2.5191927 0.3289451 -0.0490606 0.0758185 2.4478896 45 Hg 2.2930592 -0.1561459 -0.0023120 -0.1247495 1.8157785 0.0233670 -0.0158233 0.2113745 3.0490537 46 Hg 2.2930592 0.1561459 -0.0023120 0.1247495 1.8157785 -0.0233670 -0.0158233 -0.2113745 3.0490537 47 Hg 2.2930592 -0.1561459 -0.0023120 -0.1247495 1.8157785 0.0233670 -0.0158233 0.2113745 3.0490537 48 Hg 2.2930592 0.1561459 -0.0023120 0.1247495 1.8157785 -0.0233670 -0.0158233 -0.2113745 3.0490537 49 Hg 2.2984466 0.2555471 -0.1023704 0.1784699 2.8603974 0.1320762 -0.1582548 0.2315551 2.3129132 50 Hg 2.2984466 -0.2555471 -0.1023704 -0.1784699 2.8603974 -0.1320762 -0.1582548 -0.2315551 2.3129132 51 Hg 2.2984466 0.2555471 -0.1023704 0.1784699 2.8603974 0.1320762 -0.1582548 0.2315551 2.3129132 52 Hg 2.2984466 -0.2555471 -0.1023704 -0.1784699 2.8603974 -0.1320762 -0.1582548 -0.2315551 2.3129132 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6201 Number of blocks in projector: 6201 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 1.462 Solver_block: 200 / 1600 - Time: 1.251 Solver_block: 300 / 1600 - Time: 1.254 Solver_block: 400 / 1600 - Time: 1.256 Solver_block: 500 / 1600 - Time: 1.252 Solver_block: 600 / 1600 - Time: 1.254 Solver_block: 700 / 1600 - Time: 1.256 Solver_block: 800 / 1600 - Time: 1.253 Solver_block: 900 / 1600 - Time: 1.252 Solver_block: 1000 / 1600 - Time: 1.255 Solver_block: 1100 / 1600 - Time: 1.254 Solver_block: 1200 / 1600 - Time: 1.253 Solver_block: 1300 / 1600 - Time: 1.252 Solver_block: 1400 / 1600 - Time: 1.252 Solver_block: 1500 / 1600 - Time: 1.251 Solver_block: 1600 / 1600 - Time: 1.253 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.816 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6201 Number of blocks in projector: 6201 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 332 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 715 Use submatrix version of eigh solver. (1) Block: 500 / 715 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 715 / 715 (1) 202 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6201, 6085), data: False |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (715, 702), data: False |-- (715, 13), data: (715, 26) @ (26, 13) |-- (215, 202), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 42), data: (1352, 68) @ (68, 42) |-- (352, 332), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:09:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:09:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.072936621144423 0.000000000000000 0.000000000000000 b 0.000000000000000 11.784042839999998 0.000000000000000 c -1.089838450300700 0.000000000000000 6.460758139018701 Atomic positions (fractional): 1 O 0.37045476548371 0.55167345311108 0.87732432406870 15.999 2 O 0.62954523451629 0.05167345311108 0.62267567593130 15.999 3 O 0.62954523451629 0.44832654688892 0.12267567593130 15.999 4 O 0.37045476548371 0.94832654688892 0.37732432406870 15.999 5 O 0.41305559558192 0.55799094130911 0.31837850161175 15.999 6 O 0.58694440441808 0.05799094130911 0.18162149838825 15.999 7 O 0.58694440441808 0.44200905869089 0.68162149838825 15.999 8 O 0.41305559558192 0.94200905869089 0.81837850161175 15.999 9 O 0.28367139788519 0.72965380779648 0.12703896040989 15.999 10 O 0.71632860211481 0.22965380779648 0.37296103959011 15.999 11 O 0.71632860211481 0.27034619220352 0.87296103959011 15.999 12 O 0.28367139788519 0.77034619220352 0.62703896040989 15.999 13 O 0.54977119224235 0.70666663549611 0.07986962900350 15.999 14 O 0.45022880775765 0.20666663549611 0.42013037099650 15.999 15 O 0.45022880775765 0.29333336450389 0.92013037099650 15.999 16 O 0.54977119224235 0.79333336450389 0.57986962900350 15.999 17 O 0.98135570709325 0.18935694406973 0.82114460141567 15.999 18 O 0.01864429290675 0.68935694406973 0.67885539858433 15.999 19 O 0.01864429290675 0.81064305593027 0.17885539858433 15.999 20 O 0.98135570709325 0.31064305593027 0.32114460141567 15.999 21 O 0.04602282271402 0.53645681387994 0.23067161913232 15.999 22 O 0.95397717728598 0.03645681387994 0.26932838086768 15.999 23 O 0.95397717728598 0.46354318612006 0.76932838086768 15.999 24 O 0.04602282271402 0.96354318612006 0.73067161913232 15.999 25 O 0.22407144893336 0.41795449529118 0.51739337784589 15.999 26 O 0.77592855106664 0.91795449529118 0.98260662215411 15.999 27 O 0.77592855106664 0.58204550470882 0.48260662215411 15.999 28 O 0.22407144893336 0.08204550470882 0.01739337784589 15.999 29 O 0.20568591177728 0.35013239548222 0.13193937297592 15.999 30 O 0.79431408822272 0.85013239548222 0.36806062702408 15.999 31 O 0.79431408822272 0.64986760451778 0.86806062702408 15.999 32 O 0.20568591177728 0.14986760451778 0.63193937297592 15.999 33 As 0.40382573617498 0.63165874982549 0.09024884831100 74.922 34 As 0.59617426382502 0.13165874982549 0.40975115168900 74.922 35 As 0.59617426382502 0.36834125017451 0.90975115168900 74.922 36 As 0.40382573617498 0.86834125017451 0.59024884831100 74.922 37 As 0.10460081233715 0.09770733389228 0.79886099023626 74.922 38 As 0.89539918766285 0.59770733389228 0.70113900976374 74.922 39 As 0.89539918766285 0.90229266610772 0.20113900976374 74.922 40 As 0.10460081233715 0.40229266610772 0.29886099023626 74.922 41 Hg 0.16042695236794 0.83240600804207 0.90662891188692 200.590 42 Hg 0.83957304763206 0.33240600804207 0.59337108811308 200.590 43 Hg 0.83957304763206 0.16759399195793 0.09337108811307 200.590 44 Hg 0.16042695236794 0.66759399195793 0.40662891188693 200.590 45 Hg 0.20262116730030 0.10799708729304 0.32259598545695 200.590 46 Hg 0.79737883269970 0.60799708729304 0.17740401454305 200.590 47 Hg 0.79737883269970 0.89200291270696 0.67740401454305 200.590 48 Hg 0.20262116730030 0.39200291270696 0.82259598545695 200.590 49 Hg 0.54652937178518 0.87976002975222 0.16704674126867 200.590 50 Hg 0.45347062821482 0.37976002975222 0.33295325873133 200.590 51 Hg 0.45347062821482 0.12023997024778 0.83295325873133 200.590 52 Hg 0.54652937178518 0.62023997024778 0.66704674126867 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.072936621144423 0.000000000000000 0.000000000000000 b 0.000000000000000 11.784042839999998 0.000000000000000 c -2.179676900601400 0.000000000000000 12.921516278037402 Atomic positions (fractional): 1 O 0.37045476548371 0.55167345311108 0.43866216203435 15.999 > 1 2 O 0.37045476548371 0.55167345311108 0.93866216203435 15.999 > 1 3 O 0.62954523451629 0.05167345311108 0.31133783796565 15.999 > 3 4 O 0.62954523451629 0.05167345311108 0.81133783796565 15.999 > 3 5 O 0.62954523451629 0.44832654688892 0.06133783796565 15.999 > 5 6 O 0.62954523451629 0.44832654688892 0.56133783796565 15.999 > 5 7 O 0.37045476548371 0.94832654688892 0.18866216203435 15.999 > 7 8 O 0.37045476548371 0.94832654688892 0.68866216203435 15.999 > 7 9 O 0.41305559558192 0.55799094130911 0.15918925080587 15.999 > 9 10 O 0.41305559558192 0.55799094130911 0.65918925080587 15.999 > 9 11 O 0.58694440441808 0.05799094130911 0.09081074919413 15.999 > 11 12 O 0.58694440441808 0.05799094130911 0.59081074919413 15.999 > 11 13 O 0.58694440441808 0.44200905869089 0.34081074919413 15.999 > 13 14 O 0.58694440441808 0.44200905869089 0.84081074919413 15.999 > 13 15 O 0.41305559558192 0.94200905869089 0.40918925080587 15.999 > 15 16 O 0.41305559558192 0.94200905869089 0.90918925080587 15.999 > 15 17 O 0.28367139788519 0.72965380779648 0.06351948020495 15.999 > 17 18 O 0.28367139788519 0.72965380779648 0.56351948020495 15.999 > 17 19 O 0.71632860211481 0.22965380779648 0.18648051979505 15.999 > 19 20 O 0.71632860211481 0.22965380779648 0.68648051979505 15.999 > 19 21 O 0.71632860211481 0.27034619220352 0.43648051979505 15.999 > 21 22 O 0.71632860211481 0.27034619220352 0.93648051979505 15.999 > 21 23 O 0.28367139788519 0.77034619220352 0.31351948020495 15.999 > 23 24 O 0.28367139788519 0.77034619220352 0.81351948020495 15.999 > 23 25 O 0.54977119224235 0.70666663549611 0.03993481450175 15.999 > 25 26 O 0.54977119224235 0.70666663549611 0.53993481450175 15.999 > 25 27 O 0.45022880775765 0.20666663549611 0.21006518549825 15.999 > 27 28 O 0.45022880775765 0.20666663549611 0.71006518549825 15.999 > 27 29 O 0.45022880775765 0.29333336450389 0.46006518549825 15.999 > 29 30 O 0.45022880775765 0.29333336450389 0.96006518549825 15.999 > 29 31 O 0.54977119224235 0.79333336450389 0.28993481450175 15.999 > 31 32 O 0.54977119224235 0.79333336450389 0.78993481450175 15.999 > 31 33 O 0.98135570709325 0.18935694406973 0.41057230070783 15.999 > 33 34 O 0.98135570709325 0.18935694406973 0.91057230070783 15.999 > 33 35 O 0.01864429290675 0.68935694406973 0.33942769929217 15.999 > 35 36 O 0.01864429290675 0.68935694406973 0.83942769929217 15.999 > 35 37 O 0.01864429290675 0.81064305593027 0.08942769929217 15.999 > 37 38 O 0.01864429290675 0.81064305593027 0.58942769929217 15.999 > 37 39 O 0.98135570709325 0.31064305593027 0.16057230070783 15.999 > 39 40 O 0.98135570709325 0.31064305593027 0.66057230070783 15.999 > 39 41 O 0.04602282271402 0.53645681387994 0.11533580956616 15.999 > 41 42 O 0.04602282271402 0.53645681387994 0.61533580956616 15.999 > 41 43 O 0.95397717728598 0.03645681387994 0.13466419043384 15.999 > 43 44 O 0.95397717728598 0.03645681387994 0.63466419043384 15.999 > 43 45 O 0.95397717728598 0.46354318612006 0.38466419043384 15.999 > 45 46 O 0.95397717728598 0.46354318612006 0.88466419043384 15.999 > 45 47 O 0.04602282271402 0.96354318612006 0.36533580956616 15.999 > 47 48 O 0.04602282271402 0.96354318612006 0.86533580956616 15.999 > 47 49 O 0.22407144893336 0.41795449529118 0.25869668892295 15.999 > 49 50 O 0.22407144893336 0.41795449529118 0.75869668892295 15.999 > 49 51 O 0.77592855106664 0.91795449529118 0.49130331107705 15.999 > 51 52 O 0.77592855106664 0.91795449529118 0.99130331107705 15.999 > 51 53 O 0.77592855106664 0.58204550470882 0.24130331107705 15.999 > 53 54 O 0.77592855106664 0.58204550470882 0.74130331107705 15.999 > 53 55 O 0.22407144893336 0.08204550470882 0.00869668892295 15.999 > 55 56 O 0.22407144893336 0.08204550470882 0.50869668892295 15.999 > 55 57 O 0.20568591177728 0.35013239548222 0.06596968648796 15.999 > 57 58 O 0.20568591177728 0.35013239548222 0.56596968648796 15.999 > 57 59 O 0.79431408822272 0.85013239548222 0.18403031351204 15.999 > 59 60 O 0.79431408822272 0.85013239548222 0.68403031351204 15.999 > 59 61 O 0.79431408822272 0.64986760451778 0.43403031351204 15.999 > 61 62 O 0.79431408822272 0.64986760451778 0.93403031351204 15.999 > 61 63 O 0.20568591177728 0.14986760451778 0.31596968648796 15.999 > 63 64 O 0.20568591177728 0.14986760451778 0.81596968648796 15.999 > 63 65 As 0.40382573617498 0.63165874982549 0.04512442415550 74.922 > 65 66 As 0.40382573617498 0.63165874982549 0.54512442415550 74.922 > 65 67 As 0.59617426382502 0.13165874982549 0.20487557584450 74.922 > 67 68 As 0.59617426382502 0.13165874982549 0.70487557584450 74.922 > 67 69 As 0.59617426382502 0.36834125017451 0.45487557584450 74.922 > 69 70 As 0.59617426382502 0.36834125017451 0.95487557584450 74.922 > 69 71 As 0.40382573617498 0.86834125017451 0.29512442415550 74.922 > 71 72 As 0.40382573617498 0.86834125017451 0.79512442415550 74.922 > 71 73 As 0.10460081233715 0.09770733389228 0.39943049511813 74.922 > 73 74 As 0.10460081233715 0.09770733389228 0.89943049511813 74.922 > 73 75 As 0.89539918766285 0.59770733389228 0.35056950488187 74.922 > 75 76 As 0.89539918766285 0.59770733389228 0.85056950488187 74.922 > 75 77 As 0.89539918766285 0.90229266610772 0.10056950488187 74.922 > 77 78 As 0.89539918766285 0.90229266610772 0.60056950488187 74.922 > 77 79 As 0.10460081233715 0.40229266610772 0.14943049511813 74.922 > 79 80 As 0.10460081233715 0.40229266610772 0.64943049511813 74.922 > 79 81 Hg 0.16042695236794 0.83240600804207 0.45331445594346 200.590 > 81 82 Hg 0.16042695236794 0.83240600804207 0.95331445594346 200.590 > 81 83 Hg 0.83957304763206 0.33240600804207 0.29668554405654 200.590 > 83 84 Hg 0.83957304763206 0.33240600804207 0.79668554405654 200.590 > 83 85 Hg 0.83957304763206 0.16759399195793 0.04668554405654 200.590 > 85 86 Hg 0.83957304763206 0.16759399195793 0.54668554405654 200.590 > 85 87 Hg 0.16042695236794 0.66759399195793 0.20331445594346 200.590 > 87 88 Hg 0.16042695236794 0.66759399195793 0.70331445594346 200.590 > 87 89 Hg 0.20262116730030 0.10799708729304 0.16129799272847 200.590 > 89 90 Hg 0.20262116730030 0.10799708729304 0.66129799272847 200.590 > 89 91 Hg 0.79737883269970 0.60799708729304 0.08870200727153 200.590 > 91 92 Hg 0.79737883269970 0.60799708729304 0.58870200727153 200.590 > 91 93 Hg 0.79737883269970 0.89200291270696 0.33870200727153 200.590 > 93 94 Hg 0.79737883269970 0.89200291270696 0.83870200727153 200.590 > 93 95 Hg 0.20262116730030 0.39200291270696 0.41129799272847 200.590 > 95 96 Hg 0.20262116730030 0.39200291270696 0.91129799272847 200.590 > 95 97 Hg 0.54652937178518 0.87976002975222 0.08352337063433 200.590 > 97 98 Hg 0.54652937178518 0.87976002975222 0.58352337063433 200.590 > 97 99 Hg 0.45347062821482 0.37976002975222 0.16647662936567 200.590 > 99 100 Hg 0.45347062821482 0.37976002975222 0.66647662936567 200.590 > 99 101 Hg 0.45347062821482 0.12023997024778 0.41647662936567 200.590 > 101 102 Hg 0.45347062821482 0.12023997024778 0.91647662936567 200.590 > 101 103 Hg 0.54652937178518 0.62023997024778 0.33352337063433 200.590 > 103 104 Hg 0.54652937178518 0.62023997024778 0.83352337063433 200.590 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5325735 0.0000000 -0.1571182 0.0000000 4.7322060 0.0000000 -0.1571175 0.0000000 4.7567298 -------------------------- Born effective charges -------------------------- 1 O -1.5677495 -0.2287382 0.1950037 -0.2762537 -1.8224728 -0.4621087 0.1540226 -0.4261659 -1.9524650 2 O -1.5677495 0.2287382 0.1950037 0.2762537 -1.8224728 0.4621087 0.1540226 0.4261659 -1.9524650 3 O -1.5677495 -0.2287382 0.1950037 -0.2762537 -1.8224728 -0.4621087 0.1540226 -0.4261659 -1.9524650 4 O -1.5677495 0.2287382 0.1950037 0.2762537 -1.8224728 0.4621087 0.1540226 0.4261659 -1.9524650 5 O -1.1425418 0.3586794 -0.0544862 0.0685197 -2.2375415 0.7725734 0.0123883 0.4256933 -2.1990787 6 O -1.1425418 -0.3586794 -0.0544862 -0.0685197 -2.2375415 -0.7725734 0.0123883 -0.4256933 -2.1990787 7 O -1.1425418 0.3586794 -0.0544862 0.0685197 -2.2375415 0.7725734 0.0123883 0.4256933 -2.1990787 8 O -1.1425418 -0.3586794 -0.0544862 -0.0685197 -2.2375415 -0.7725734 0.0123883 -0.4256933 -2.1990787 9 O -2.2484143 0.9338447 0.1345144 0.7803319 -1.8482754 0.1448005 -0.1706541 0.4928602 -1.5672647 10 O -2.2484143 -0.9338447 0.1345144 -0.7803319 -1.8482754 -0.1448005 -0.1706541 -0.4928602 -1.5672647 11 O -2.2484143 0.9338447 0.1345144 0.7803319 -1.8482754 0.1448005 -0.1706541 0.4928602 -1.5672647 12 O -2.2484143 -0.9338447 0.1345144 -0.7803319 -1.8482754 -0.1448005 -0.1706541 -0.4928602 -1.5672647 13 O -2.0628686 -0.3880149 0.0361876 -0.6457401 -2.2932424 -0.1876054 0.0021082 -0.3738798 -1.2315008 14 O -2.0628686 0.3880149 0.0361876 0.6457401 -2.2932424 0.1876054 0.0021082 0.3738798 -1.2315008 15 O -2.0628686 -0.3880149 0.0361876 -0.6457401 -2.2932424 -0.1876054 0.0021082 -0.3738798 -1.2315008 16 O -2.0628686 0.3880149 0.0361876 0.6457401 -2.2932424 0.1876054 0.0021082 0.3738798 -1.2315008 17 O -2.1559775 0.6750678 0.3100689 0.6859391 -1.9061423 0.0254369 0.1347846 0.2139882 -1.3187709 18 O -2.1559775 -0.6750678 0.3100689 -0.6859391 -1.9061423 -0.0254369 0.1347846 -0.2139882 -1.3187709 19 O -2.1559775 0.6750678 0.3100689 0.6859391 -1.9061423 0.0254369 0.1347846 0.2139882 -1.3187709 20 O -2.1559775 -0.6750678 0.3100689 -0.6859391 -1.9061423 -0.0254369 0.1347846 -0.2139882 -1.3187709 21 O -1.4293647 0.2700312 -0.1556951 0.1955827 -2.5957744 -0.0086276 -0.1812432 -0.0510881 -1.1287624 22 O -1.4293647 -0.2700312 -0.1556951 -0.1955827 -2.5957744 0.0086276 -0.1812432 0.0510881 -1.1287624 23 O -1.4293647 0.2700312 -0.1556951 0.1955827 -2.5957744 -0.0086276 -0.1812432 -0.0510881 -1.1287624 24 O -1.4293647 -0.2700312 -0.1556951 -0.1955827 -2.5957744 0.0086276 -0.1812432 0.0510881 -1.1287624 25 O -1.3887248 -0.0249345 -0.1990550 -0.0328108 -1.1235622 0.0960441 -0.4856663 -0.0195006 -2.8342651 26 O -1.3887248 0.0249345 -0.1990550 0.0328108 -1.1235622 -0.0960441 -0.4856663 0.0195006 -2.8342651 27 O -1.3887248 -0.0249345 -0.1990550 -0.0328108 -1.1235622 0.0960441 -0.4856663 -0.0195006 -2.8342651 28 O -1.3887248 0.0249345 -0.1990550 0.0328108 -1.1235622 -0.0960441 -0.4856663 0.0195006 -2.8342651 29 O -1.9568567 0.2200848 0.7123627 0.0864060 -1.2175415 0.0729690 0.9000645 -0.2713059 -2.5282010 30 O -1.9568567 -0.2200848 0.7123627 -0.0864060 -1.2175415 -0.0729690 0.9000645 0.2713059 -2.5282010 31 O -1.9568567 0.2200848 0.7123627 0.0864060 -1.2175415 0.0729690 0.9000645 -0.2713059 -2.5282010 32 O -1.9568567 -0.2200848 0.7123627 -0.0864060 -1.2175415 -0.0729690 0.9000645 0.2713059 -2.5282010 33 As 3.3795803 -0.6867419 -0.4052538 0.2560970 3.9769892 -0.3090833 0.0773972 -0.1011215 3.3433137 34 As 3.3795803 0.6867419 -0.4052538 -0.2560970 3.9769892 0.3090833 0.0773972 0.1011215 3.3433137 35 As 3.3795803 -0.6867419 -0.4052538 0.2560970 3.9769892 -0.3090833 0.0773972 -0.1011215 3.3433137 36 As 3.3795803 0.6867419 -0.4052538 -0.2560970 3.9769892 0.3090833 0.0773972 0.1011215 3.3433137 37 As 3.4186088 -0.0335048 -0.4209458 -0.0317079 3.8721946 0.4764032 -0.2200633 -0.6211029 3.6071384 38 As 3.4186088 0.0335048 -0.4209458 0.0317079 3.8721946 -0.4764032 -0.2200633 0.6211029 3.6071384 39 As 3.4186088 -0.0335048 -0.4209458 -0.0317079 3.8721946 0.4764032 -0.2200633 -0.6211029 3.6071384 40 As 3.4186088 0.0335048 -0.4209458 0.0317079 3.8721946 -0.4764032 -0.2200633 0.6211029 3.6071384 41 Hg 2.5628031 -0.2612558 -0.0480189 -0.4129181 2.5191927 -0.3289451 -0.0490606 -0.0758185 2.4478896 42 Hg 2.5628031 0.2612558 -0.0480189 0.4129181 2.5191927 0.3289451 -0.0490606 0.0758185 2.4478896 43 Hg 2.5628031 -0.2612558 -0.0480189 -0.4129181 2.5191927 -0.3289451 -0.0490606 -0.0758185 2.4478896 44 Hg 2.5628031 0.2612558 -0.0480189 0.4129181 2.5191927 0.3289451 -0.0490606 0.0758185 2.4478896 45 Hg 2.2930592 -0.1561459 -0.0023120 -0.1247495 1.8157785 0.0233670 -0.0158233 0.2113745 3.0490537 46 Hg 2.2930592 0.1561459 -0.0023120 0.1247495 1.8157785 -0.0233670 -0.0158233 -0.2113745 3.0490537 47 Hg 2.2930592 -0.1561459 -0.0023120 -0.1247495 1.8157785 0.0233670 -0.0158233 0.2113745 3.0490537 48 Hg 2.2930592 0.1561459 -0.0023120 0.1247495 1.8157785 -0.0233670 -0.0158233 -0.2113745 3.0490537 49 Hg 2.2984466 0.2555471 -0.1023704 0.1784699 2.8603974 0.1320762 -0.1582548 0.2315551 2.3129132 50 Hg 2.2984466 -0.2555471 -0.1023704 -0.1784699 2.8603974 -0.1320762 -0.1582548 -0.2315551 2.3129132 51 Hg 2.2984466 0.2555471 -0.1023704 0.1784699 2.8603974 0.1320762 -0.1582548 0.2315551 2.3129132 52 Hg 2.2984466 -0.2555471 -0.1023704 -0.1784699 2.8603974 -0.1320762 -0.1582548 -0.2315551 2.3129132 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 41, 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (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 2026-01-07 23:10:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:10:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.072936621144423 0.000000000000000 0.000000000000000 b 0.000000000000000 11.784042839999998 0.000000000000000 c -1.089838450300700 0.000000000000000 6.460758139018701 Atomic positions (fractional): 1 O 0.37045476548371 0.55167345311108 0.87732432406870 15.999 2 O 0.62954523451629 0.05167345311108 0.62267567593130 15.999 3 O 0.62954523451629 0.44832654688892 0.12267567593130 15.999 4 O 0.37045476548371 0.94832654688892 0.37732432406870 15.999 5 O 0.41305559558192 0.55799094130911 0.31837850161175 15.999 6 O 0.58694440441808 0.05799094130911 0.18162149838825 15.999 7 O 0.58694440441808 0.44200905869089 0.68162149838825 15.999 8 O 0.41305559558192 0.94200905869089 0.81837850161175 15.999 9 O 0.28367139788519 0.72965380779648 0.12703896040989 15.999 10 O 0.71632860211481 0.22965380779648 0.37296103959011 15.999 11 O 0.71632860211481 0.27034619220352 0.87296103959011 15.999 12 O 0.28367139788519 0.77034619220352 0.62703896040989 15.999 13 O 0.54977119224235 0.70666663549611 0.07986962900350 15.999 14 O 0.45022880775765 0.20666663549611 0.42013037099650 15.999 15 O 0.45022880775765 0.29333336450389 0.92013037099650 15.999 16 O 0.54977119224235 0.79333336450389 0.57986962900350 15.999 17 O 0.98135570709325 0.18935694406973 0.82114460141567 15.999 18 O 0.01864429290675 0.68935694406973 0.67885539858433 15.999 19 O 0.01864429290675 0.81064305593027 0.17885539858433 15.999 20 O 0.98135570709325 0.31064305593027 0.32114460141567 15.999 21 O 0.04602282271402 0.53645681387994 0.23067161913232 15.999 22 O 0.95397717728598 0.03645681387994 0.26932838086768 15.999 23 O 0.95397717728598 0.46354318612006 0.76932838086768 15.999 24 O 0.04602282271402 0.96354318612006 0.73067161913232 15.999 25 O 0.22407144893336 0.41795449529118 0.51739337784589 15.999 26 O 0.77592855106664 0.91795449529118 0.98260662215411 15.999 27 O 0.77592855106664 0.58204550470882 0.48260662215411 15.999 28 O 0.22407144893336 0.08204550470882 0.01739337784589 15.999 29 O 0.20568591177728 0.35013239548222 0.13193937297592 15.999 30 O 0.79431408822272 0.85013239548222 0.36806062702408 15.999 31 O 0.79431408822272 0.64986760451778 0.86806062702408 15.999 32 O 0.20568591177728 0.14986760451778 0.63193937297592 15.999 33 As 0.40382573617498 0.63165874982549 0.09024884831100 74.922 34 As 0.59617426382502 0.13165874982549 0.40975115168900 74.922 35 As 0.59617426382502 0.36834125017451 0.90975115168900 74.922 36 As 0.40382573617498 0.86834125017451 0.59024884831100 74.922 37 As 0.10460081233715 0.09770733389228 0.79886099023626 74.922 38 As 0.89539918766285 0.59770733389228 0.70113900976374 74.922 39 As 0.89539918766285 0.90229266610772 0.20113900976374 74.922 40 As 0.10460081233715 0.40229266610772 0.29886099023626 74.922 41 Hg 0.16042695236794 0.83240600804207 0.90662891188692 200.590 42 Hg 0.83957304763206 0.33240600804207 0.59337108811308 200.590 43 Hg 0.83957304763206 0.16759399195793 0.09337108811307 200.590 44 Hg 0.16042695236794 0.66759399195793 0.40662891188693 200.590 45 Hg 0.20262116730030 0.10799708729304 0.32259598545695 200.590 46 Hg 0.79737883269970 0.60799708729304 0.17740401454305 200.590 47 Hg 0.79737883269970 0.89200291270696 0.67740401454305 200.590 48 Hg 0.20262116730030 0.39200291270696 0.82259598545695 200.590 49 Hg 0.54652937178518 0.87976002975222 0.16704674126867 200.590 50 Hg 0.45347062821482 0.37976002975222 0.33295325873133 200.590 51 Hg 0.45347062821482 0.12023997024778 0.83295325873133 200.590 52 Hg 0.54652937178518 0.62023997024778 0.66704674126867 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.072936621144423 0.000000000000000 0.000000000000000 b 0.000000000000000 11.784042839999998 0.000000000000000 c -2.179676900601400 0.000000000000000 12.921516278037402 Atomic positions (fractional): 1 O 0.37045476548371 0.55167345311108 0.43866216203435 15.999 > 1 2 O 0.37045476548371 0.55167345311108 0.93866216203435 15.999 > 1 3 O 0.62954523451629 0.05167345311108 0.31133783796565 15.999 > 3 4 O 0.62954523451629 0.05167345311108 0.81133783796565 15.999 > 3 5 O 0.62954523451629 0.44832654688892 0.06133783796565 15.999 > 5 6 O 0.62954523451629 0.44832654688892 0.56133783796565 15.999 > 5 7 O 0.37045476548371 0.94832654688892 0.18866216203435 15.999 > 7 8 O 0.37045476548371 0.94832654688892 0.68866216203435 15.999 > 7 9 O 0.41305559558192 0.55799094130911 0.15918925080587 15.999 > 9 10 O 0.41305559558192 0.55799094130911 0.65918925080587 15.999 > 9 11 O 0.58694440441808 0.05799094130911 0.09081074919413 15.999 > 11 12 O 0.58694440441808 0.05799094130911 0.59081074919413 15.999 > 11 13 O 0.58694440441808 0.44200905869089 0.34081074919413 15.999 > 13 14 O 0.58694440441808 0.44200905869089 0.84081074919413 15.999 > 13 15 O 0.41305559558192 0.94200905869089 0.40918925080587 15.999 > 15 16 O 0.41305559558192 0.94200905869089 0.90918925080587 15.999 > 15 17 O 0.28367139788519 0.72965380779648 0.06351948020495 15.999 > 17 18 O 0.28367139788519 0.72965380779648 0.56351948020495 15.999 > 17 19 O 0.71632860211481 0.22965380779648 0.18648051979505 15.999 > 19 20 O 0.71632860211481 0.22965380779648 0.68648051979505 15.999 > 19 21 O 0.71632860211481 0.27034619220352 0.43648051979505 15.999 > 21 22 O 0.71632860211481 0.27034619220352 0.93648051979505 15.999 > 21 23 O 0.28367139788519 0.77034619220352 0.31351948020495 15.999 > 23 24 O 0.28367139788519 0.77034619220352 0.81351948020495 15.999 > 23 25 O 0.54977119224235 0.70666663549611 0.03993481450175 15.999 > 25 26 O 0.54977119224235 0.70666663549611 0.53993481450175 15.999 > 25 27 O 0.45022880775765 0.20666663549611 0.21006518549825 15.999 > 27 28 O 0.45022880775765 0.20666663549611 0.71006518549825 15.999 > 27 29 O 0.45022880775765 0.29333336450389 0.46006518549825 15.999 > 29 30 O 0.45022880775765 0.29333336450389 0.96006518549825 15.999 > 29 31 O 0.54977119224235 0.79333336450389 0.28993481450175 15.999 > 31 32 O 0.54977119224235 0.79333336450389 0.78993481450175 15.999 > 31 33 O 0.98135570709325 0.18935694406973 0.41057230070783 15.999 > 33 34 O 0.98135570709325 0.18935694406973 0.91057230070783 15.999 > 33 35 O 0.01864429290675 0.68935694406973 0.33942769929217 15.999 > 35 36 O 0.01864429290675 0.68935694406973 0.83942769929217 15.999 > 35 37 O 0.01864429290675 0.81064305593027 0.08942769929217 15.999 > 37 38 O 0.01864429290675 0.81064305593027 0.58942769929217 15.999 > 37 39 O 0.98135570709325 0.31064305593027 0.16057230070783 15.999 > 39 40 O 0.98135570709325 0.31064305593027 0.66057230070783 15.999 > 39 41 O 0.04602282271402 0.53645681387994 0.11533580956616 15.999 > 41 42 O 0.04602282271402 0.53645681387994 0.61533580956616 15.999 > 41 43 O 0.95397717728598 0.03645681387994 0.13466419043384 15.999 > 43 44 O 0.95397717728598 0.03645681387994 0.63466419043384 15.999 > 43 45 O 0.95397717728598 0.46354318612006 0.38466419043384 15.999 > 45 46 O 0.95397717728598 0.46354318612006 0.88466419043384 15.999 > 45 47 O 0.04602282271402 0.96354318612006 0.36533580956616 15.999 > 47 48 O 0.04602282271402 0.96354318612006 0.86533580956616 15.999 > 47 49 O 0.22407144893336 0.41795449529118 0.25869668892295 15.999 > 49 50 O 0.22407144893336 0.41795449529118 0.75869668892295 15.999 > 49 51 O 0.77592855106664 0.91795449529118 0.49130331107705 15.999 > 51 52 O 0.77592855106664 0.91795449529118 0.99130331107705 15.999 > 51 53 O 0.77592855106664 0.58204550470882 0.24130331107705 15.999 > 53 54 O 0.77592855106664 0.58204550470882 0.74130331107705 15.999 > 53 55 O 0.22407144893336 0.08204550470882 0.00869668892295 15.999 > 55 56 O 0.22407144893336 0.08204550470882 0.50869668892295 15.999 > 55 57 O 0.20568591177728 0.35013239548222 0.06596968648796 15.999 > 57 58 O 0.20568591177728 0.35013239548222 0.56596968648796 15.999 > 57 59 O 0.79431408822272 0.85013239548222 0.18403031351204 15.999 > 59 60 O 0.79431408822272 0.85013239548222 0.68403031351204 15.999 > 59 61 O 0.79431408822272 0.64986760451778 0.43403031351204 15.999 > 61 62 O 0.79431408822272 0.64986760451778 0.93403031351204 15.999 > 61 63 O 0.20568591177728 0.14986760451778 0.31596968648796 15.999 > 63 64 O 0.20568591177728 0.14986760451778 0.81596968648796 15.999 > 63 65 As 0.40382573617498 0.63165874982549 0.04512442415550 74.922 > 65 66 As 0.40382573617498 0.63165874982549 0.54512442415550 74.922 > 65 67 As 0.59617426382502 0.13165874982549 0.20487557584450 74.922 > 67 68 As 0.59617426382502 0.13165874982549 0.70487557584450 74.922 > 67 69 As 0.59617426382502 0.36834125017451 0.45487557584450 74.922 > 69 70 As 0.59617426382502 0.36834125017451 0.95487557584450 74.922 > 69 71 As 0.40382573617498 0.86834125017451 0.29512442415550 74.922 > 71 72 As 0.40382573617498 0.86834125017451 0.79512442415550 74.922 > 71 73 As 0.10460081233715 0.09770733389228 0.39943049511813 74.922 > 73 74 As 0.10460081233715 0.09770733389228 0.89943049511813 74.922 > 73 75 As 0.89539918766285 0.59770733389228 0.35056950488187 74.922 > 75 76 As 0.89539918766285 0.59770733389228 0.85056950488187 74.922 > 75 77 As 0.89539918766285 0.90229266610772 0.10056950488187 74.922 > 77 78 As 0.89539918766285 0.90229266610772 0.60056950488187 74.922 > 77 79 As 0.10460081233715 0.40229266610772 0.14943049511813 74.922 > 79 80 As 0.10460081233715 0.40229266610772 0.64943049511813 74.922 > 79 81 Hg 0.16042695236794 0.83240600804207 0.45331445594346 200.590 > 81 82 Hg 0.16042695236794 0.83240600804207 0.95331445594346 200.590 > 81 83 Hg 0.83957304763206 0.33240600804207 0.29668554405654 200.590 > 83 84 Hg 0.83957304763206 0.33240600804207 0.79668554405654 200.590 > 83 85 Hg 0.83957304763206 0.16759399195793 0.04668554405654 200.590 > 85 86 Hg 0.83957304763206 0.16759399195793 0.54668554405654 200.590 > 85 87 Hg 0.16042695236794 0.66759399195793 0.20331445594346 200.590 > 87 88 Hg 0.16042695236794 0.66759399195793 0.70331445594346 200.590 > 87 89 Hg 0.20262116730030 0.10799708729304 0.16129799272847 200.590 > 89 90 Hg 0.20262116730030 0.10799708729304 0.66129799272847 200.590 > 89 91 Hg 0.79737883269970 0.60799708729304 0.08870200727153 200.590 > 91 92 Hg 0.79737883269970 0.60799708729304 0.58870200727153 200.590 > 91 93 Hg 0.79737883269970 0.89200291270696 0.33870200727153 200.590 > 93 94 Hg 0.79737883269970 0.89200291270696 0.83870200727153 200.590 > 93 95 Hg 0.20262116730030 0.39200291270696 0.41129799272847 200.590 > 95 96 Hg 0.20262116730030 0.39200291270696 0.91129799272847 200.590 > 95 97 Hg 0.54652937178518 0.87976002975222 0.08352337063433 200.590 > 97 98 Hg 0.54652937178518 0.87976002975222 0.58352337063433 200.590 > 97 99 Hg 0.45347062821482 0.37976002975222 0.16647662936567 200.590 > 99 100 Hg 0.45347062821482 0.37976002975222 0.66647662936567 200.590 > 99 101 Hg 0.45347062821482 0.12023997024778 0.41647662936567 200.590 > 101 102 Hg 0.45347062821482 0.12023997024778 0.91647662936567 200.590 > 101 103 Hg 0.54652937178518 0.62023997024778 0.33352337063433 200.590 > 103 104 Hg 0.54652937178518 0.62023997024778 0.83352337063433 200.590 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5325735 0.0000000 -0.1571182 0.0000000 4.7322060 0.0000000 -0.1571175 0.0000000 4.7567298 -------------------------- Born effective charges -------------------------- 1 O -1.5677495 -0.2287382 0.1950037 -0.2762537 -1.8224728 -0.4621087 0.1540226 -0.4261659 -1.9524650 2 O -1.5677495 0.2287382 0.1950037 0.2762537 -1.8224728 0.4621087 0.1540226 0.4261659 -1.9524650 3 O -1.5677495 -0.2287382 0.1950037 -0.2762537 -1.8224728 -0.4621087 0.1540226 -0.4261659 -1.9524650 4 O -1.5677495 0.2287382 0.1950037 0.2762537 -1.8224728 0.4621087 0.1540226 0.4261659 -1.9524650 5 O -1.1425418 0.3586794 -0.0544862 0.0685197 -2.2375415 0.7725734 0.0123883 0.4256933 -2.1990787 6 O -1.1425418 -0.3586794 -0.0544862 -0.0685197 -2.2375415 -0.7725734 0.0123883 -0.4256933 -2.1990787 7 O -1.1425418 0.3586794 -0.0544862 0.0685197 -2.2375415 0.7725734 0.0123883 0.4256933 -2.1990787 8 O -1.1425418 -0.3586794 -0.0544862 -0.0685197 -2.2375415 -0.7725734 0.0123883 -0.4256933 -2.1990787 9 O -2.2484143 0.9338447 0.1345144 0.7803319 -1.8482754 0.1448005 -0.1706541 0.4928602 -1.5672647 10 O -2.2484143 -0.9338447 0.1345144 -0.7803319 -1.8482754 -0.1448005 -0.1706541 -0.4928602 -1.5672647 11 O -2.2484143 0.9338447 0.1345144 0.7803319 -1.8482754 0.1448005 -0.1706541 0.4928602 -1.5672647 12 O -2.2484143 -0.9338447 0.1345144 -0.7803319 -1.8482754 -0.1448005 -0.1706541 -0.4928602 -1.5672647 13 O -2.0628686 -0.3880149 0.0361876 -0.6457401 -2.2932424 -0.1876054 0.0021082 -0.3738798 -1.2315008 14 O -2.0628686 0.3880149 0.0361876 0.6457401 -2.2932424 0.1876054 0.0021082 0.3738798 -1.2315008 15 O -2.0628686 -0.3880149 0.0361876 -0.6457401 -2.2932424 -0.1876054 0.0021082 -0.3738798 -1.2315008 16 O -2.0628686 0.3880149 0.0361876 0.6457401 -2.2932424 0.1876054 0.0021082 0.3738798 -1.2315008 17 O -2.1559775 0.6750678 0.3100689 0.6859391 -1.9061423 0.0254369 0.1347846 0.2139882 -1.3187709 18 O -2.1559775 -0.6750678 0.3100689 -0.6859391 -1.9061423 -0.0254369 0.1347846 -0.2139882 -1.3187709 19 O -2.1559775 0.6750678 0.3100689 0.6859391 -1.9061423 0.0254369 0.1347846 0.2139882 -1.3187709 20 O -2.1559775 -0.6750678 0.3100689 -0.6859391 -1.9061423 -0.0254369 0.1347846 -0.2139882 -1.3187709 21 O -1.4293647 0.2700312 -0.1556951 0.1955827 -2.5957744 -0.0086276 -0.1812432 -0.0510881 -1.1287624 22 O -1.4293647 -0.2700312 -0.1556951 -0.1955827 -2.5957744 0.0086276 -0.1812432 0.0510881 -1.1287624 23 O -1.4293647 0.2700312 -0.1556951 0.1955827 -2.5957744 -0.0086276 -0.1812432 -0.0510881 -1.1287624 24 O -1.4293647 -0.2700312 -0.1556951 -0.1955827 -2.5957744 0.0086276 -0.1812432 0.0510881 -1.1287624 25 O -1.3887248 -0.0249345 -0.1990550 -0.0328108 -1.1235622 0.0960441 -0.4856663 -0.0195006 -2.8342651 26 O -1.3887248 0.0249345 -0.1990550 0.0328108 -1.1235622 -0.0960441 -0.4856663 0.0195006 -2.8342651 27 O -1.3887248 -0.0249345 -0.1990550 -0.0328108 -1.1235622 0.0960441 -0.4856663 -0.0195006 -2.8342651 28 O -1.3887248 0.0249345 -0.1990550 0.0328108 -1.1235622 -0.0960441 -0.4856663 0.0195006 -2.8342651 29 O -1.9568567 0.2200848 0.7123627 0.0864060 -1.2175415 0.0729690 0.9000645 -0.2713059 -2.5282010 30 O -1.9568567 -0.2200848 0.7123627 -0.0864060 -1.2175415 -0.0729690 0.9000645 0.2713059 -2.5282010 31 O -1.9568567 0.2200848 0.7123627 0.0864060 -1.2175415 0.0729690 0.9000645 -0.2713059 -2.5282010 32 O -1.9568567 -0.2200848 0.7123627 -0.0864060 -1.2175415 -0.0729690 0.9000645 0.2713059 -2.5282010 33 As 3.3795803 -0.6867419 -0.4052538 0.2560970 3.9769892 -0.3090833 0.0773972 -0.1011215 3.3433137 34 As 3.3795803 0.6867419 -0.4052538 -0.2560970 3.9769892 0.3090833 0.0773972 0.1011215 3.3433137 35 As 3.3795803 -0.6867419 -0.4052538 0.2560970 3.9769892 -0.3090833 0.0773972 -0.1011215 3.3433137 36 As 3.3795803 0.6867419 -0.4052538 -0.2560970 3.9769892 0.3090833 0.0773972 0.1011215 3.3433137 37 As 3.4186088 -0.0335048 -0.4209458 -0.0317079 3.8721946 0.4764032 -0.2200633 -0.6211029 3.6071384 38 As 3.4186088 0.0335048 -0.4209458 0.0317079 3.8721946 -0.4764032 -0.2200633 0.6211029 3.6071384 39 As 3.4186088 -0.0335048 -0.4209458 -0.0317079 3.8721946 0.4764032 -0.2200633 -0.6211029 3.6071384 40 As 3.4186088 0.0335048 -0.4209458 0.0317079 3.8721946 -0.4764032 -0.2200633 0.6211029 3.6071384 41 Hg 2.5628031 -0.2612558 -0.0480189 -0.4129181 2.5191927 -0.3289451 -0.0490606 -0.0758185 2.4478896 42 Hg 2.5628031 0.2612558 -0.0480189 0.4129181 2.5191927 0.3289451 -0.0490606 0.0758185 2.4478896 43 Hg 2.5628031 -0.2612558 -0.0480189 -0.4129181 2.5191927 -0.3289451 -0.0490606 -0.0758185 2.4478896 44 Hg 2.5628031 0.2612558 -0.0480189 0.4129181 2.5191927 0.3289451 -0.0490606 0.0758185 2.4478896 45 Hg 2.2930592 -0.1561459 -0.0023120 -0.1247495 1.8157785 0.0233670 -0.0158233 0.2113745 3.0490537 46 Hg 2.2930592 0.1561459 -0.0023120 0.1247495 1.8157785 -0.0233670 -0.0158233 -0.2113745 3.0490537 47 Hg 2.2930592 -0.1561459 -0.0023120 -0.1247495 1.8157785 0.0233670 -0.0158233 0.2113745 3.0490537 48 Hg 2.2930592 0.1561459 -0.0023120 0.1247495 1.8157785 -0.0233670 -0.0158233 -0.2113745 3.0490537 49 Hg 2.2984466 0.2555471 -0.1023704 0.1784699 2.8603974 0.1320762 -0.1582548 0.2315551 2.3129132 50 Hg 2.2984466 -0.2555471 -0.1023704 -0.1784699 2.8603974 -0.1320762 -0.1582548 -0.2315551 2.3129132 51 Hg 2.2984466 0.2555471 -0.1023704 0.1784699 2.8603974 0.1320762 -0.1582548 0.2315551 2.3129132 52 Hg 2.2984466 -0.2555471 -0.1023704 -0.1784699 2.8603974 -0.1320762 -0.1582548 -0.2315551 2.3129132 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 8 ] 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: 0.45, Number of G-points: 283, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 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 0.899 ( 0.000 0.000 0.000) 0.000 0.923 ( 0.000 0.000 0.000) 0.000 0.925 ( 0.000 0.000 0.000) 0.000 1.007 ( 0.000 0.000 0.000) 0.000 1.073 ( 0.000 0.000 0.000) 0.000 1.120 ( 0.000 0.000 0.000) 0.000 1.167 ( 0.000 0.000 0.000) 0.000 1.216 ( 0.000 0.000 0.000) 0.000 1.258 ( 0.000 0.000 0.000) 0.000 1.333 ( 0.000 0.000 0.000) 0.000 1.341 ( 0.000 0.000 0.000) 0.000 1.372 ( 0.000 0.000 0.000) 0.000 1.390 ( 0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 0.000) 0.000 1.454 ( 0.000 0.000 0.000) 0.000 1.456 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.708 ( 0.000 0.000 0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.523 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.434 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.416 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.672 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.433 ( 0.000 0.000 0.000) 0.000 8.579 ( 0.000 0.000 0.000) 0.000 8.659 ( 0.000 0.000 0.000) 0.000 8.786 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 0.000) 0.000 9.372 ( 0.000 0.000 0.000) 0.000 9.568 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 9.905 ( 0.000 0.000 0.000) 0.000 10.103 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.214 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 10.833 ( 0.000 0.000 0.000) 0.000 11.584 ( 0.000 0.000 0.000) 0.000 11.808 ( 0.000 0.000 0.000) 0.000 11.816 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.299 ( 0.000 0.000 0.000) 0.000 12.492 ( 0.000 0.000 0.000) 0.000 12.556 ( 0.000 0.000 0.000) 0.000 12.703 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 0.000) 0.000 12.765 ( 0.000 0.000 0.000) 0.000 12.864 ( 0.000 0.000 0.000) 0.000 12.908 ( 0.000 0.000 0.000) 0.000 13.367 ( 0.000 0.000 0.000) 0.000 13.579 ( 0.000 0.000 0.000) 0.000 13.696 ( 0.000 0.000 0.000) 0.000 13.938 ( 0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 14.202 ( 0.000 0.000 0.000) 0.000 14.225 ( 0.000 0.000 0.000) 0.000 14.250 ( 0.000 0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 14.498 ( 0.000 0.000 0.000) 0.000 14.707 ( 0.000 0.000 0.000) 0.000 20.590 ( 0.000 0.000 0.000) 0.000 20.661 ( 0.000 0.000 0.000) 0.000 20.685 ( 0.000 0.000 0.000) 0.000 21.009 ( 0.000 0.000 0.000) 0.000 21.036 ( 0.000 0.000 0.000) 0.000 21.107 ( 0.000 0.000 0.000) 0.000 21.179 ( 0.000 0.000 0.000) 0.000 21.204 ( 0.000 0.000 0.000) 0.000 21.213 ( 0.000 0.000 0.000) 0.000 21.506 ( 0.000 0.000 0.000) 0.000 21.560 ( 0.000 0.000 0.000) 0.000 21.668 ( 0.000 0.000 0.000) 0.000 21.670 ( 0.000 0.000 0.000) 0.000 21.839 ( 0.000 0.000 0.000) 0.000 22.110 ( 0.000 0.000 0.000) 0.000 22.328 ( 0.000 0.000 0.000) 0.000 22.695 ( 0.000 0.000 0.000) 0.000 22.748 ( 0.000 0.000 0.000) 0.000 22.843 ( 0.000 0.000 0.000) 0.000 22.977 ( 0.000 0.000 0.000) 0.000 22.980 ( 0.000 0.000 0.000) 0.000 23.026 ( 0.000 0.000 0.000) 0.000 23.110 ( 0.000 0.000 0.000) 0.000 23.179 ( 0.000 0.000 0.000) 0.000 23.864 ( 0.000 0.000 0.000) 0.000 23.877 ( 0.000 0.000 0.000) 0.000 23.945 ( 0.000 0.000 0.000) 0.000 24.079 ( 0.000 0.000 0.000) 0.000 24.268 ( 0.000 0.000 0.000) 0.000 24.295 ( 0.000 0.000 0.000) 0.000 24.520 ( 0.000 0.000 0.000) 0.000 24.918 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.201 ( 10.717 0.000 1.036) 10.767 0.287 ( 12.630 0.000 7.183) 14.530 0.580 ( 26.809 0.000 1.428) 26.847 0.903 ( -3.034 0.000 0.402) 3.061 0.909 ( -0.336 0.000 -0.625) 0.710 0.947 ( 2.599 0.000 -1.440) 2.971 1.021 ( 1.493 0.000 1.360) 2.019 1.025 ( -7.307 0.000 1.364) 7.434 1.076 ( 0.193 0.000 -0.922) 0.942 1.197 ( -1.176 0.000 1.394) 1.824 1.201 ( -1.205 0.000 -1.583) 1.990 1.246 ( -1.980 0.000 2.897) 3.509 1.291 ( -3.669 0.000 -5.749) 6.820 1.319 ( 0.747 0.000 -1.125) 1.350 1.334 ( -0.963 0.000 -3.168) 3.312 1.397 ( 1.135 0.000 -1.650) 2.002 1.402 ( -2.836 0.000 3.616) 4.596 1.416 ( -2.261 0.000 3.424) 4.103 1.487 ( -2.099 0.000 -1.513) 2.588 1.521 ( -1.098 0.000 3.398) 3.571 1.546 ( 3.361 0.000 1.166) 3.557 1.660 ( 3.551 0.000 -2.753) 4.493 1.732 ( -3.040 0.000 3.819) 4.881 1.740 ( -0.603 0.000 -0.002) 0.603 1.797 ( 0.386 0.000 -0.347) 0.519 1.832 ( -3.688 0.000 -2.326) 4.361 1.919 ( -0.812 0.000 1.879) 2.047 1.948 ( -1.628 0.000 1.793) 2.422 2.042 ( -6.356 0.000 1.521) 6.535 2.143 ( 4.073 0.000 -0.133) 4.075 2.180 ( -2.193 0.000 1.076) 2.443 2.184 ( 4.417 0.000 0.956) 4.519 2.277 ( 5.590 0.000 0.213) 5.594 2.289 ( 0.059 0.000 -0.054) 0.080 2.437 ( -1.257 0.000 -0.051) 1.258 2.449 ( -2.115 0.000 3.081) 3.737 2.498 ( 2.270 0.000 -0.284) 2.288 2.611 ( 5.153 0.000 -2.973) 5.949 2.636 ( -3.355 0.000 -0.194) 3.361 2.755 ( 0.950 0.000 -0.498) 1.073 2.973 ( -1.021 0.000 4.649) 4.760 2.976 ( -4.272 0.000 -0.203) 4.276 3.099 ( -2.157 0.000 -1.859) 2.848 3.138 ( -0.210 0.000 -1.303) 1.320 3.289 ( 4.369 0.000 3.637) 5.685 3.495 ( -0.472 0.000 -0.810) 0.937 3.579 ( -1.289 0.000 -1.297) 1.828 3.668 ( 2.981 0.000 0.609) 3.043 3.689 ( -2.107 0.000 6.102) 6.455 3.707 ( 3.917 0.000 0.360) 3.933 3.847 ( 4.715 0.000 -0.667) 4.762 3.915 ( -0.498 0.000 -0.190) 0.533 4.018 ( 2.102 0.000 2.540) 3.297 4.084 ( 0.614 0.000 -0.318) 0.692 4.132 ( 2.993 0.000 3.720) 4.775 4.149 ( -1.207 0.000 0.170) 1.219 4.295 ( -0.609 0.000 -1.211) 1.356 4.330 ( 0.764 0.000 -0.824) 1.124 4.433 ( -0.134 0.000 -0.427) 0.448 4.459 ( -0.943 0.000 -5.285) 5.369 4.587 ( -2.836 0.000 -3.922) 4.840 4.697 ( 1.418 0.000 0.350) 1.460 4.779 ( -1.102 0.000 2.177) 2.440 4.913 ( -3.381 0.000 -1.006) 3.528 4.918 ( -3.693 0.000 0.265) 3.702 5.059 ( -4.487 0.000 2.167) 4.982 5.069 ( 4.081 0.000 -12.929) 13.558 5.164 ( 1.116 0.000 -1.530) 1.894 5.384 ( -1.624 0.000 -1.785) 2.413 5.429 ( 2.987 0.000 -2.283) 3.760 5.628 ( -0.833 0.000 2.352) 2.495 5.971 ( 1.206 0.000 -0.172) 1.218 6.350 ( 0.298 0.000 0.265) 0.399 6.478 ( -0.188 0.000 0.532) 0.564 6.526 ( -1.213 0.000 1.282) 1.765 6.629 ( 6.467 0.000 -0.837) 6.521 7.060 ( -0.284 0.000 -0.905) 0.948 7.359 ( -1.102 0.000 -0.880) 1.410 7.415 ( -0.033 0.000 0.147) 0.151 7.678 ( 0.437 0.000 0.141) 0.459 7.899 ( -0.401 0.000 0.999) 1.076 7.983 ( -0.482 0.000 0.582) 0.756 7.996 ( 0.780 0.000 -2.658) 2.770 8.165 ( 0.735 0.000 -0.717) 1.027 8.361 ( -0.800 0.000 -0.175) 0.819 8.440 ( 0.320 0.000 0.554) 0.640 8.634 ( -0.531 0.000 0.980) 1.115 8.653 ( -0.616 0.000 0.727) 0.953 8.851 ( -0.318 0.000 6.077) 6.085 9.148 ( -0.018 0.000 1.189) 1.189 9.152 ( 0.564 0.000 -0.543) 0.783 9.368 ( -0.492 0.000 0.759) 0.905 9.524 ( -4.834 0.000 -1.953) 5.213 9.730 ( -2.326 0.000 1.069) 2.560 9.878 ( 1.085 0.000 -3.435) 3.602 9.897 ( -0.825 0.000 -0.339) 0.892 10.099 ( -0.047 0.000 1.965) 1.966 10.146 ( 1.791 0.000 -3.377) 3.823 10.245 ( 2.582 0.000 0.388) 2.611 10.375 ( 0.519 0.000 0.214) 0.562 10.826 ( -0.580 0.000 0.160) 0.601 11.687 ( 0.706 0.000 -8.635) 8.664 11.797 ( -1.530 0.000 -0.234) 1.547 11.818 ( 0.936 0.000 -0.746) 1.197 12.093 ( 1.386 0.000 0.291) 1.416 12.274 ( -2.586 0.000 0.441) 2.623 12.496 ( 0.582 0.000 -1.312) 1.435 12.556 ( -0.136 0.000 0.593) 0.608 12.707 ( -1.764 0.000 0.841) 1.954 12.730 ( 1.791 0.000 1.054) 2.079 12.785 ( 1.218 0.000 -0.491) 1.314 12.874 ( 1.401 0.000 -2.671) 3.017 12.912 ( -0.369 0.000 4.095) 4.111 13.599 ( 1.985 0.000 -0.403) 2.026 13.667 ( 0.982 0.000 -9.591) 9.641 13.706 ( 1.514 0.000 -14.812) 14.889 13.856 ( -5.348 0.000 -2.121) 5.754 14.089 ( 1.976 0.000 4.836) 5.224 14.237 ( 1.073 0.000 -0.449) 1.163 14.266 ( 1.936 0.000 -3.289) 3.817 14.399 ( -2.728 0.000 16.436) 16.661 14.414 ( 0.500 0.000 -3.114) 3.154 14.516 ( 1.098 0.000 1.761) 2.075 14.705 ( 0.057 0.000 -1.260) 1.261 20.553 ( -1.819 0.000 -2.119) 2.793 20.681 ( -0.261 0.000 -0.374) 0.456 20.726 ( 4.466 0.000 1.943) 4.870 21.007 ( -2.478 0.000 -1.381) 2.837 21.030 ( 1.242 0.000 -2.390) 2.694 21.123 ( 1.117 0.000 0.555) 1.248 21.196 ( 1.358 0.000 0.665) 1.512 21.209 ( -0.425 0.000 0.420) 0.597 21.462 ( 2.074 0.000 -9.458) 9.683 21.561 ( -0.629 0.000 4.692) 4.734 21.660 ( -0.828 0.000 2.933) 3.048 21.679 ( 0.900 0.000 -2.841) 2.980 21.769 ( -4.016 0.000 -7.581) 8.579 22.064 ( 2.027 0.000 13.731) 13.880 22.298 ( -1.878 0.000 -3.477) 3.952 22.375 ( -2.730 0.000 13.425) 13.700 22.730 ( 2.449 0.000 3.666) 4.409 22.754 ( 1.102 0.000 -3.384) 3.559 22.909 ( -0.852 0.000 -3.803) 3.898 22.952 ( -1.699 0.000 -0.014) 1.699 23.011 ( -3.225 0.000 -0.025) 3.225 23.087 ( -0.748 0.000 0.970) 1.225 23.176 ( -0.128 0.000 -0.684) 0.696 23.363 ( -2.576 0.000 7.485) 7.915 23.864 ( -0.684 0.000 -0.093) 0.690 23.917 ( 4.433 0.000 2.661) 5.171 23.962 ( 0.994 0.000 0.992) 1.404 24.114 ( 3.114 0.000 -0.766) 3.207 24.263 ( -1.865 0.000 -9.925) 10.099 24.284 ( -0.901 0.000 -0.988) 1.337 24.520 ( 0.021 0.000 -0.145) 0.147 24.996 ( -0.325 0.000 0.212) 0.388 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 11.371 0.000 0.582) 11.386 0.532 ( 8.873 0.000 4.314) 9.866 0.731 ( -10.739 0.000 -0.700) 10.762 0.842 ( -5.096 0.000 -1.585) 5.337 0.899 ( 0.201 0.000 -1.076) 1.095 1.013 ( 3.581 0.000 0.521) 3.619 1.055 ( 0.444 0.000 0.120) 0.460 1.065 ( 4.701 0.000 -0.968) 4.800 1.102 ( 7.376 0.000 3.630) 8.221 1.145 ( -2.626 0.000 -3.596) 4.453 1.188 ( 3.430 0.000 0.754) 3.512 1.210 ( -1.558 0.000 0.811) 1.756 1.249 ( 1.591 0.000 -1.566) 2.233 1.315 ( -1.554 0.000 -0.604) 1.668 1.327 ( -1.836 0.000 -0.130) 1.840 1.338 ( -1.476 0.000 0.913) 1.736 1.354 ( -0.692 0.000 0.657) 0.954 1.428 ( -2.457 0.000 -0.415) 2.492 1.509 ( 5.395 0.000 0.054) 5.395 1.535 ( -6.997 0.000 2.559) 7.451 1.550 ( 2.494 0.000 3.477) 4.279 1.628 ( -1.170 0.000 -1.788) 2.137 1.669 ( -4.270 0.000 -2.488) 4.942 1.749 ( 1.735 0.000 -2.620) 3.142 1.815 ( 0.326 0.000 -0.127) 0.350 1.817 ( -3.078 0.000 2.032) 3.688 1.902 ( 3.596 0.000 3.156) 4.785 1.930 ( -0.611 0.000 0.973) 1.149 1.966 ( -0.490 0.000 -1.309) 1.398 2.065 ( -8.033 0.000 -0.582) 8.055 2.214 ( 0.980 0.000 0.555) 1.126 2.241 ( 3.371 0.000 -0.652) 3.433 2.335 ( 3.118 0.000 1.753) 3.577 2.372 ( 1.451 0.000 1.473) 2.068 2.406 ( -2.580 0.000 -0.974) 2.758 2.415 ( 1.259 0.000 -0.867) 1.529 2.535 ( -5.746 0.000 0.011) 5.746 2.601 ( 6.022 0.000 -0.943) 6.095 2.698 ( 3.914 0.000 -3.874) 5.506 2.765 ( -0.552 0.000 2.530) 2.589 2.881 ( -4.459 0.000 0.433) 4.480 2.968 ( -0.453 0.000 1.492) 1.559 3.069 ( -0.516 0.000 -0.693) 0.864 3.129 ( -0.174 0.000 -0.923) 0.940 3.366 ( 1.850 0.000 1.743) 2.542 3.495 ( 0.322 0.000 -0.453) 0.556 3.553 ( -0.677 0.000 -0.772) 1.027 3.664 ( -1.145 0.000 1.186) 1.648 3.685 ( 0.537 0.000 -0.057) 0.539 3.820 ( 4.133 0.000 1.394) 4.362 3.916 ( 0.262 0.000 0.300) 0.399 3.923 ( 1.747 0.000 -1.830) 2.530 4.064 ( 1.220 0.000 1.752) 2.135 4.094 ( 0.194 0.000 0.218) 0.291 4.146 ( 1.446 0.000 0.953) 1.732 4.199 ( 1.899 0.000 2.555) 3.183 4.265 ( -1.818 0.000 -1.485) 2.348 4.354 ( 2.060 0.000 -3.486) 4.049 4.403 ( -2.643 0.000 2.861) 3.895 4.437 ( 0.325 0.000 -2.885) 2.903 4.525 ( -1.823 0.000 -2.413) 3.024 4.702 ( -0.479 0.000 -0.237) 0.535 4.769 ( -0.407 0.000 1.988) 2.029 4.841 ( -2.956 0.000 -0.292) 2.970 4.881 ( -0.363 0.000 1.704) 1.742 4.979 ( -2.883 0.000 0.617) 2.948 5.080 ( 0.426 0.000 -3.941) 3.964 5.171 ( 0.146 0.000 -0.829) 0.842 5.366 ( -0.055 0.000 -0.639) 0.641 5.492 ( 3.216 0.000 -2.297) 3.952 5.609 ( -1.690 0.000 2.401) 2.936 5.988 ( 0.451 0.000 -0.096) 0.461 6.357 ( 0.222 0.000 0.194) 0.294 6.477 ( -0.069 0.000 0.166) 0.180 6.507 ( -0.677 0.000 0.105) 0.685 6.747 ( 4.030 0.000 -0.386) 4.048 7.052 ( -0.235 0.000 -0.209) 0.314 7.335 ( -0.761 0.000 -0.508) 0.915 7.416 ( 0.045 0.000 0.070) 0.083 7.686 ( 0.241 0.000 0.090) 0.258 7.895 ( -0.194 0.000 0.562) 0.595 7.977 ( -0.256 0.000 0.323) 0.412 8.002 ( 0.311 0.000 -0.778) 0.837 8.176 ( 0.384 0.000 -0.457) 0.596 8.348 ( -0.388 0.000 -0.039) 0.390 8.443 ( -0.077 0.000 0.323) 0.332 8.627 ( -0.285 0.000 0.311) 0.422 8.644 ( -0.348 0.000 0.499) 0.608 8.863 ( 0.172 0.000 1.213) 1.225 9.148 ( -0.287 0.000 0.941) 0.983 9.161 ( 0.384 0.000 -0.333) 0.509 9.360 ( -0.393 0.000 0.694) 0.797 9.437 ( -2.329 0.000 -1.597) 2.824 9.695 ( -1.159 0.000 0.854) 1.439 9.879 ( -0.631 0.000 -0.223) 0.669 9.881 ( 0.195 0.000 -1.533) 1.545 10.114 ( 0.511 0.000 1.286) 1.384 10.160 ( 0.530 0.000 -1.674) 1.756 10.293 ( 1.464 0.000 0.219) 1.481 10.384 ( 0.246 0.000 0.119) 0.273 10.816 ( -0.351 0.000 0.109) 0.368 11.674 ( -0.075 0.000 -1.991) 1.992 11.770 ( -0.804 0.000 -0.132) 0.815 11.833 ( 0.550 0.000 -0.399) 0.679 12.118 ( 0.713 0.000 0.182) 0.735 12.231 ( -1.381 0.000 0.302) 1.414 12.503 ( 0.456 0.000 -0.934) 1.039 12.554 ( -0.197 0.000 0.401) 0.447 12.683 ( -0.740 0.000 0.521) 0.905 12.755 ( 0.410 0.000 0.337) 0.530 12.800 ( 0.423 0.000 -0.223) 0.478 12.902 ( 2.088 0.000 -3.988) 4.502 12.916 ( -0.844 0.000 4.651) 4.727 13.653 ( 0.100 0.000 -3.820) 3.822 13.654 ( 3.594 0.000 -0.340) 3.610 13.689 ( -0.161 0.000 -2.000) 2.007 13.746 ( -4.885 0.000 -0.524) 4.913 14.123 ( 0.425 0.000 1.942) 1.988 14.253 ( 0.448 0.000 0.046) 0.450 14.290 ( 1.150 0.000 -2.485) 2.738 14.402 ( -0.831 0.000 5.947) 6.004 14.419 ( 0.626 0.000 -1.632) 1.748 14.539 ( 0.569 0.000 0.815) 0.994 14.702 ( -0.008 0.000 -0.853) 0.853 20.523 ( -0.620 0.000 -0.909) 1.100 20.676 ( -0.124 0.000 -0.214) 0.247 20.828 ( 4.877 0.000 1.645) 5.147 20.935 ( -4.060 0.000 -1.616) 4.370 21.045 ( 0.654 0.000 -0.796) 1.031 21.143 ( 0.600 0.000 0.264) 0.655 21.202 ( -0.260 0.000 0.255) 0.364 21.221 ( 0.722 0.000 -0.018) 0.722 21.479 ( 1.122 0.000 -1.100) 1.571 21.576 ( 0.506 0.000 7.036) 7.054 21.656 ( -0.290 0.000 1.244) 1.277 21.664 ( -3.124 0.000 -8.789) 9.327 21.685 ( 0.329 0.000 -1.192) 1.237 22.127 ( 1.035 0.000 3.311) 3.469 22.256 ( -0.968 0.000 -1.889) 2.123 22.372 ( -0.645 0.000 4.923) 4.965 22.766 ( 1.048 0.000 -3.158) 3.328 22.796 ( 2.584 0.000 2.827) 3.830 22.877 ( -1.287 0.000 0.311) 1.324 22.920 ( -4.151 0.000 -0.226) 4.157 22.926 ( -0.754 0.000 -0.380) 0.844 23.091 ( 0.295 0.000 0.330) 0.442 23.171 ( -0.120 0.000 -0.426) 0.443 23.341 ( -0.903 0.000 1.517) 1.766 23.857 ( -0.101 0.000 -0.021) 0.104 23.980 ( 0.498 0.000 0.425) 0.655 24.035 ( 5.799 0.000 3.924) 7.002 24.168 ( -4.831 0.000 -5.377) 7.228 24.172 ( 2.171 0.000 0.039) 2.171 24.257 ( -1.152 0.000 -0.934) 1.483 24.520 ( -0.024 0.000 -0.079) 0.082 24.991 ( -0.177 0.000 0.061) 0.187 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.250 ( 0.000 11.575 0.000) 11.575 0.354 ( 0.000 15.585 0.000) 15.585 0.545 ( 0.000 20.951 0.000) 20.951 0.757 ( 0.000 -7.776 0.000) 7.776 0.820 ( 0.000 -6.053 0.000) 6.053 0.996 ( 0.000 -0.116 0.000) 0.116 1.024 ( 0.000 1.126 0.000) 1.126 1.106 ( 0.000 1.423 0.000) 1.423 1.115 ( 0.000 -0.679 0.000) 0.679 1.153 ( 0.000 0.813 0.000) 0.813 1.201 ( 0.000 -1.612 0.000) 1.612 1.217 ( 0.000 -8.647 0.000) 8.647 1.235 ( 0.000 -3.839 0.000) 3.839 1.321 ( 0.000 -1.440 0.000) 1.440 1.329 ( 0.000 -0.696 0.000) 0.696 1.402 ( 0.000 2.210 0.000) 2.210 1.407 ( 0.000 -0.752 0.000) 0.752 1.480 ( 0.000 0.697 0.000) 0.697 1.516 ( 0.000 1.856 0.000) 1.856 1.540 ( 0.000 2.312 0.000) 2.312 1.545 ( 0.000 0.585 0.000) 0.585 1.689 ( 0.000 0.428 0.000) 0.428 1.691 ( 0.000 -2.031 0.000) 2.031 1.734 ( 0.000 -12.115 0.000) 12.115 1.776 ( 0.000 0.853 0.000) 0.853 1.813 ( 0.000 -6.096 0.000) 6.096 1.857 ( 0.000 4.912 0.000) 4.912 1.931 ( 0.000 -3.138 0.000) 3.138 1.990 ( 0.000 0.187 0.000) 0.187 2.041 ( 0.000 -5.172 0.000) 5.172 2.158 ( 0.000 4.816 0.000) 4.816 2.243 ( 0.000 1.419 0.000) 1.419 2.277 ( 0.000 6.364 0.000) 6.364 2.323 ( 0.000 1.623 0.000) 1.623 2.443 ( 0.000 -2.686 0.000) 2.686 2.530 ( 0.000 6.247 0.000) 6.247 2.563 ( 0.000 4.705 0.000) 4.705 2.627 ( 0.000 5.783 0.000) 5.783 2.700 ( 0.000 -3.899 0.000) 3.899 2.878 ( 0.000 0.201 0.000) 0.201 2.990 ( 0.000 -10.438 0.000) 10.438 3.041 ( 0.000 -0.122 0.000) 0.122 3.093 ( 0.000 -3.648 0.000) 3.648 3.139 ( 0.000 0.011 0.000) 0.011 3.227 ( 0.000 5.140 0.000) 5.140 3.273 ( 0.000 3.762 0.000) 3.762 3.499 ( 0.000 -1.144 0.000) 1.144 3.612 ( 0.000 2.858 0.000) 2.858 3.727 ( 0.000 -6.771 0.000) 6.771 3.738 ( 0.000 6.725 0.000) 6.725 3.798 ( 0.000 0.365 0.000) 0.365 3.876 ( 0.000 -3.107 0.000) 3.107 4.017 ( 0.000 -6.797 0.000) 6.797 4.076 ( 0.000 -3.095 0.000) 3.095 4.081 ( 0.000 5.165 0.000) 5.165 4.176 ( 0.000 6.284 0.000) 6.284 4.192 ( 0.000 2.728 0.000) 2.728 4.271 ( 0.000 0.198 0.000) 0.198 4.366 ( 0.000 -0.893 0.000) 0.893 4.403 ( 0.000 -2.564 0.000) 2.564 4.641 ( 0.000 -0.306 0.000) 0.306 4.651 ( 0.000 0.821 0.000) 0.821 4.782 ( 0.000 0.452 0.000) 0.452 4.845 ( 0.000 1.447 0.000) 1.447 4.928 ( 0.000 -4.534 0.000) 4.534 4.982 ( 0.000 -2.612 0.000) 2.612 5.070 ( 0.000 -3.437 0.000) 3.437 5.103 ( 0.000 -1.699 0.000) 1.699 5.433 ( 0.000 4.466 0.000) 4.466 5.521 ( 0.000 1.394 0.000) 1.394 5.656 ( 0.000 3.266 0.000) 3.266 5.907 ( 0.000 -4.501 0.000) 4.501 6.342 ( 0.000 0.502 0.000) 0.502 6.451 ( 0.000 -3.412 0.000) 3.412 6.563 ( 0.000 5.614 0.000) 5.614 6.662 ( 0.000 5.106 0.000) 5.106 7.046 ( 0.000 0.102 0.000) 0.102 7.300 ( 0.000 -6.606 0.000) 6.606 7.493 ( 0.000 6.155 0.000) 6.155 7.666 ( 0.000 -0.887 0.000) 0.887 7.898 ( 0.000 0.144 0.000) 0.144 7.898 ( 0.000 -0.162 0.000) 0.162 8.077 ( 0.000 1.562 0.000) 1.562 8.146 ( 0.000 -1.089 0.000) 1.089 8.449 ( 0.000 1.479 0.000) 1.479 8.481 ( 0.000 0.448 0.000) 0.448 8.582 ( 0.000 0.277 0.000) 0.277 8.638 ( 0.000 -1.885 0.000) 1.885 8.808 ( 0.000 2.345 0.000) 2.345 9.045 ( 0.000 -6.775 0.000) 6.775 9.180 ( 0.000 1.358 0.000) 1.358 9.322 ( 0.000 -4.522 0.000) 4.522 9.542 ( 0.000 -0.123 0.000) 0.123 9.635 ( 0.000 -2.151 0.000) 2.151 9.980 ( 0.000 4.724 0.000) 4.724 9.983 ( 0.000 7.677 0.000) 7.677 10.125 ( 0.000 0.146 0.000) 0.146 10.133 ( 0.000 2.292 0.000) 2.292 10.229 ( 0.000 1.525 0.000) 1.525 10.357 ( 0.000 -2.758 0.000) 2.758 10.847 ( 0.000 2.778 0.000) 2.778 11.390 ( 0.000 -16.467 0.000) 16.467 11.773 ( 0.000 -1.580 0.000) 1.580 11.777 ( 0.000 -1.779 0.000) 1.779 12.295 ( 0.000 7.527 0.000) 7.527 12.394 ( 0.000 5.083 0.000) 5.083 12.548 ( 0.000 -0.452 0.000) 0.452 12.571 ( 0.000 -2.366 0.000) 2.366 12.747 ( 0.000 2.380 0.000) 2.380 12.776 ( 0.000 1.125 0.000) 1.125 12.841 ( 0.000 -2.092 0.000) 2.092 12.873 ( 0.000 -2.728 0.000) 2.728 13.053 ( 0.000 5.281 0.000) 5.281 13.403 ( 0.000 -0.443 0.000) 0.443 13.561 ( 0.000 -5.492 0.000) 5.492 13.645 ( 0.000 4.789 0.000) 4.789 13.927 ( 0.000 -6.976 0.000) 6.976 14.029 ( 0.000 -8.518 0.000) 8.518 14.095 ( 0.000 3.790 0.000) 3.790 14.230 ( 0.000 -1.884 0.000) 1.884 14.391 ( 0.000 7.560 0.000) 7.560 14.511 ( 0.000 7.169 0.000) 7.169 14.615 ( 0.000 -3.058 0.000) 3.058 14.710 ( 0.000 -0.711 0.000) 0.711 20.590 ( 0.000 0.051 0.000) 0.051 20.631 ( 0.000 -2.390 0.000) 2.390 20.815 ( 0.000 5.031 0.000) 5.031 20.985 ( 0.000 -2.293 0.000) 2.293 21.038 ( 0.000 0.387 0.000) 0.387 21.098 ( 0.000 -2.534 0.000) 2.534 21.226 ( 0.000 1.706 0.000) 1.706 21.231 ( 0.000 2.345 0.000) 2.345 21.522 ( 0.000 1.548 0.000) 1.548 21.593 ( 0.000 1.286 0.000) 1.286 21.602 ( 0.000 1.482 0.000) 1.482 21.669 ( 0.000 0.197 0.000) 0.197 21.794 ( 0.000 -3.202 0.000) 3.202 21.973 ( 0.000 -9.558 0.000) 9.558 22.365 ( 0.000 4.194 0.000) 4.194 22.408 ( 0.000 4.259 0.000) 4.259 22.737 ( 0.000 -0.942 0.000) 0.942 22.782 ( 0.000 -4.027 0.000) 4.027 22.976 ( 0.000 0.309 0.000) 0.309 23.005 ( 0.000 -0.650 0.000) 0.650 23.025 ( 0.000 2.341 0.000) 2.341 23.077 ( 0.000 -0.971 0.000) 0.971 23.124 ( 0.000 1.370 0.000) 1.370 23.180 ( 0.000 -0.213 0.000) 0.213 23.873 ( 0.000 0.852 0.000) 0.852 23.930 ( 0.000 -1.296 0.000) 1.296 24.054 ( 0.000 -1.444 0.000) 1.444 24.054 ( 0.000 -1.223 0.000) 1.223 24.339 ( 0.000 5.386 0.000) 5.386 24.527 ( 0.000 -1.037 0.000) 1.037 24.658 ( 0.000 3.187 0.000) 3.187 24.875 ( 0.000 -3.910 0.000) 3.910 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 1.917 12.910 -3.310) 13.465 0.410 ( 12.265 7.626 -0.068) 14.443 0.769 ( 3.375 -6.194 -1.894) 7.304 0.810 ( 1.308 -4.739 -0.365) 4.930 0.820 ( 10.448 8.494 0.195) 13.467 0.971 ( -1.943 -2.073 0.652) 2.915 0.998 ( -1.789 2.632 -0.686) 3.256 1.040 ( -3.353 -0.464 0.945) 3.514 1.114 ( 0.088 1.054 -0.637) 1.235 1.176 ( -0.138 -3.763 -0.727) 3.835 1.180 ( -1.240 -1.548 -0.510) 2.048 1.215 ( 0.690 -2.209 -0.966) 2.508 1.267 ( 0.691 -0.648 3.687) 3.807 1.296 ( -0.218 1.048 -2.534) 2.751 1.314 ( -2.404 0.075 1.439) 2.803 1.377 ( -1.029 0.261 2.653) 2.857 1.439 ( 0.093 -0.155 -2.266) 2.273 1.449 ( 0.168 1.952 -1.887) 2.720 1.496 ( -3.432 -0.373 -0.327) 3.468 1.520 ( -1.349 0.114 1.824) 2.271 1.547 ( 0.645 0.349 -0.290) 0.788 1.668 ( -1.100 -4.099 -0.805) 4.320 1.690 ( -1.469 -1.976 2.637) 3.607 1.720 ( 1.275 -2.123 -0.647) 2.560 1.787 ( -1.921 -0.927 1.059) 2.382 1.808 ( 1.153 1.255 -0.968) 1.960 1.890 ( -2.701 -1.591 2.099) 3.772 1.946 ( 4.292 -5.661 1.207) 7.206 1.987 ( -0.465 -2.058 2.485) 3.260 2.011 ( -2.978 -4.071 0.426) 5.062 2.181 ( 2.567 3.952 0.639) 4.756 2.249 ( 0.017 1.491 -0.291) 1.519 2.278 ( -0.434 4.239 -0.955) 4.367 2.305 ( -0.694 1.333 0.397) 1.554 2.465 ( -1.544 4.928 -0.969) 5.255 2.475 ( 3.492 -1.227 -0.885) 3.806 2.574 ( -1.890 3.454 1.347) 4.161 2.663 ( -0.656 -0.517 0.761) 1.130 2.687 ( 2.256 2.047 -2.287) 3.809 2.836 ( -1.871 4.597 -4.152) 6.470 2.905 ( -4.490 0.942 6.074) 7.612 2.975 ( -2.186 -6.696 0.843) 7.094 3.105 ( 0.901 -2.219 0.126) 2.399 3.118 ( -2.433 3.390 0.114) 4.174 3.350 ( 5.227 4.004 2.500) 7.043 3.464 ( 6.219 -3.809 3.152) 7.945 3.506 ( 5.010 -3.963 0.438) 6.403 3.614 ( -1.762 -1.703 0.661) 2.538 3.648 ( -2.458 1.051 -3.664) 4.535 3.796 ( 4.002 5.236 2.814) 7.166 3.855 ( 2.789 1.607 0.155) 3.223 3.896 ( 2.469 -5.253 -2.513) 6.325 3.999 ( -1.793 -2.782 1.943) 3.838 4.102 ( 1.373 1.441 0.399) 2.030 4.138 ( -0.178 1.799 -1.388) 2.279 4.212 ( 5.200 -5.371 -3.214) 8.137 4.231 ( 2.645 2.013 0.556) 3.370 4.298 ( 2.360 -0.440 -0.511) 2.454 4.361 ( -0.223 -1.925 -0.217) 1.950 4.427 ( 2.135 -1.609 -3.920) 4.745 4.589 ( -3.168 1.262 -1.276) 3.641 4.654 ( -0.116 -1.142 1.889) 2.211 4.800 ( -0.323 1.105 2.442) 2.700 4.848 ( -0.511 -1.872 1.469) 2.434 4.948 ( 0.457 -1.292 -2.261) 2.644 4.987 ( 1.414 -1.981 -2.749) 3.672 5.039 ( -3.948 -1.536 0.607) 4.280 5.096 ( 2.558 -4.328 -1.248) 5.180 5.432 ( -3.310 4.474 -0.081) 5.566 5.487 ( 0.678 0.740 -1.396) 1.720 5.646 ( -1.177 3.463 1.435) 3.929 5.918 ( 0.844 -4.934 -0.168) 5.009 6.314 ( -1.571 -0.808 0.733) 1.913 6.448 ( -0.905 -4.983 -0.270) 5.072 6.568 ( 0.453 6.189 0.487) 6.224 6.708 ( 4.037 3.676 -1.247) 5.601 7.061 ( 1.234 1.115 -0.207) 1.676 7.295 ( -0.349 -5.705 -0.780) 5.768 7.486 ( -0.575 5.827 -0.211) 5.859 7.665 ( 0.084 -1.271 -0.212) 1.292 7.895 ( -0.112 0.090 0.751) 0.765 7.929 ( 1.617 -1.798 0.692) 2.515 8.050 ( -1.631 2.720 -1.194) 3.390 8.149 ( 0.422 -1.471 -0.777) 1.716 8.410 ( -1.207 3.373 -1.258) 3.797 8.500 ( 0.357 2.693 1.092) 2.928 8.605 ( 0.586 -1.834 1.190) 2.263 8.633 ( -0.211 -1.585 -0.225) 1.615 8.845 ( 1.586 0.835 3.278) 3.736 9.043 ( 0.523 -6.501 -1.133) 6.620 9.183 ( 0.404 1.840 -0.154) 1.890 9.336 ( 0.584 -3.775 -0.763) 3.896 9.524 ( -1.656 1.467 1.305) 2.569 9.686 ( 3.528 -4.263 -2.654) 6.137 9.864 ( -6.388 3.172 2.788) 7.658 9.969 ( -4.417 2.212 2.373) 5.480 10.132 ( 2.026 3.085 -0.879) 3.794 10.176 ( 1.771 2.676 -1.596) 3.584 10.270 ( 3.517 1.786 -0.030) 3.944 10.358 ( 0.217 -2.126 -0.004) 2.137 10.831 ( -0.850 3.135 -0.207) 3.255 11.416 ( 1.677 -17.991 -0.582) 18.078 11.741 ( -1.080 -2.056 -1.191) 2.610 11.782 ( -0.753 -2.237 -1.055) 2.585 12.295 ( 0.597 8.877 -1.602) 9.040 12.377 ( -1.514 5.422 -0.176) 5.632 12.548 ( -0.934 0.761 4.884) 5.030 12.578 ( 1.227 0.022 -4.154) 4.331 12.720 ( -1.164 2.058 -2.931) 3.766 12.746 ( -4.147 1.875 1.902) 4.933 12.824 ( 0.162 -1.163 -5.386) 5.513 12.872 ( -0.685 -1.700 6.477) 6.731 12.940 ( -1.933 8.544 -0.756) 8.792 13.476 ( 1.314 -11.975 0.609) 12.062 13.603 ( 3.054 -2.703 -3.958) 5.683 13.658 ( 1.436 4.499 -0.710) 4.776 13.868 ( -4.148 -2.425 -0.445) 4.825 14.044 ( 1.679 -11.563 -4.706) 12.597 14.134 ( 2.098 2.469 3.588) 4.834 14.289 ( 3.211 -2.547 3.507) 5.394 14.391 ( -0.085 7.548 0.248) 7.552 14.514 ( 0.902 7.179 -1.198) 7.334 14.623 ( 0.388 -0.364 1.070) 1.195 14.703 ( -0.489 0.007 -0.262) 0.555 20.578 ( -1.259 1.114 -0.973) 1.942 20.640 ( 0.756 -2.266 -0.138) 2.393 20.797 ( 0.585 4.647 -0.528) 4.713 20.965 ( -1.429 -2.855 -1.644) 3.591 21.049 ( 0.851 0.771 -1.110) 1.597 21.094 ( -0.191 -1.375 0.365) 1.435 21.235 ( 0.229 2.502 1.123) 2.752 21.261 ( 1.673 2.679 3.408) 4.647 21.484 ( -0.561 1.808 -6.889) 7.144 21.596 ( -0.739 2.670 1.883) 3.350 21.623 ( 0.457 -2.639 1.473) 3.057 21.677 ( 0.647 -0.013 -0.950) 1.150 21.749 ( -2.544 -1.684 -8.563) 9.090 21.925 ( -1.696 -8.325 1.633) 8.651 22.391 ( 0.609 3.957 2.861) 4.921 22.419 ( -2.007 3.999 12.171) 12.967 22.735 ( 0.165 -0.859 0.483) 0.999 22.766 ( 0.230 -1.076 -2.268) 2.521 22.930 ( -1.192 2.810 -3.667) 4.771 22.966 ( -2.407 0.981 0.944) 2.765 23.010 ( -2.980 -0.262 -0.342) 3.011 23.039 ( -1.293 -3.121 1.757) 3.808 23.180 ( 1.517 0.543 0.359) 1.651 23.257 ( 3.802 -3.784 3.100) 6.196 23.882 ( 0.384 0.763 0.332) 0.916 23.931 ( 0.281 -1.131 -0.380) 1.226 24.033 ( -0.343 2.162 1.494) 2.651 24.084 ( 2.414 -1.766 -0.526) 3.037 24.300 ( -3.066 4.524 -1.992) 5.817 24.401 ( -7.383 3.457 -3.299) 8.795 24.604 ( -0.377 7.291 -1.022) 7.372 24.920 ( 1.133 -5.987 0.317) 6.102 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 11.090 3.008 -0.771) 11.516 0.643 ( 3.157 6.056 4.876) 8.392 0.683 ( -1.747 -2.569 -3.939) 5.016 0.816 ( -2.070 -8.498 -1.794) 8.928 0.856 ( -3.512 -0.180 -1.046) 3.669 0.924 ( 1.021 -2.098 -2.528) 3.440 0.984 ( -2.190 -3.405 2.013) 4.522 1.096 ( -0.778 -1.610 -1.002) 2.050 1.125 ( -0.460 -0.210 -1.306) 1.400 1.155 ( 4.624 0.082 1.094) 4.752 1.223 ( 0.914 1.880 0.139) 2.095 1.234 ( 0.829 2.474 -1.879) 3.215 1.255 ( -1.425 1.190 2.118) 2.816 1.296 ( 1.056 -1.482 1.808) 2.566 1.326 ( 4.641 2.403 1.914) 5.566 1.349 ( -1.280 1.327 -0.791) 2.006 1.397 ( 0.295 2.100 -1.803) 2.784 1.421 ( -2.125 -0.270 0.535) 2.208 1.489 ( 0.520 -2.171 0.952) 2.427 1.539 ( 0.916 -0.609 -1.493) 1.854 1.554 ( -2.567 -0.060 2.697) 3.724 1.610 ( -1.502 0.741 0.054) 1.675 1.668 ( -0.705 -2.110 -0.904) 2.401 1.733 ( -0.819 -3.122 0.153) 3.232 1.755 ( -1.809 -2.011 0.413) 2.736 1.828 ( -0.737 0.435 0.452) 0.968 1.857 ( 2.577 -0.421 -0.605) 2.680 1.941 ( -3.022 -3.275 1.869) 4.832 1.974 ( 0.355 0.862 1.338) 1.631 2.011 ( -0.869 -0.908 -1.131) 1.691 2.228 ( 0.328 0.888 1.048) 1.412 2.247 ( 0.975 0.504 0.222) 1.120 2.275 ( -0.043 -2.570 -0.517) 2.622 2.320 ( 3.145 -0.473 1.206) 3.401 2.448 ( -1.349 3.073 -1.077) 3.524 2.501 ( -3.662 -0.402 -0.872) 3.785 2.562 ( 3.311 -1.107 -1.337) 3.738 2.640 ( 1.415 5.974 0.506) 6.160 2.747 ( -0.172 0.127 -2.304) 2.314 2.788 ( -0.703 4.063 2.517) 4.831 2.846 ( -2.365 0.697 -0.235) 2.476 2.947 ( -1.052 -4.663 1.351) 4.968 3.088 ( -0.565 2.900 -0.143) 2.958 3.125 ( 0.814 0.037 -0.052) 0.816 3.433 ( 1.950 4.882 1.264) 5.407 3.507 ( 1.093 1.135 -0.279) 1.600 3.563 ( -0.503 -3.549 2.280) 4.248 3.591 ( -1.800 2.400 -3.300) 4.460 3.673 ( 4.693 -2.532 1.584) 5.563 3.878 ( 2.073 -0.631 1.109) 2.434 3.888 ( 0.192 -4.785 -1.057) 4.904 3.931 ( 1.679 -0.244 -0.691) 1.832 3.979 ( -0.512 2.886 1.045) 3.112 4.120 ( 0.479 -1.238 -0.051) 1.329 4.137 ( 0.094 -0.067 0.498) 0.511 4.267 ( 0.754 1.003 0.403) 1.319 4.278 ( 3.054 0.822 -1.816) 3.647 4.322 ( -0.193 -0.925 -1.277) 1.589 4.361 ( 0.021 -2.274 0.878) 2.438 4.433 ( -0.101 -0.460 -2.219) 2.269 4.536 ( -1.385 2.830 -0.851) 3.263 4.658 ( 0.037 -2.758 0.619) 2.827 4.806 ( 0.331 0.812 2.572) 2.717 4.837 ( -0.677 -1.336 1.206) 1.923 4.888 ( -3.077 2.825 -1.812) 4.553 4.989 ( -0.969 0.338 1.162) 1.551 5.019 ( 0.724 -3.298 -1.923) 3.886 5.142 ( 1.582 -3.486 -1.064) 3.973 5.357 ( -2.177 2.543 -0.760) 3.433 5.523 ( 1.823 -3.191 -0.598) 3.723 5.621 ( -1.442 5.646 1.273) 5.965 5.931 ( 0.363 -5.320 -0.097) 5.334 6.299 ( -0.320 -2.686 0.529) 2.756 6.424 ( -0.868 -6.432 -0.304) 6.498 6.579 ( 0.315 6.861 0.161) 6.871 6.776 ( 2.297 0.529 -0.589) 2.430 7.085 ( 0.914 3.252 -0.005) 3.378 7.284 ( -0.379 -4.279 -0.530) 4.328 7.475 ( -0.303 5.180 -0.087) 5.189 7.667 ( 0.076 -1.921 -0.071) 1.924 7.896 ( -0.025 0.299 0.333) 0.448 7.953 ( 0.531 -2.713 0.607) 2.830 8.023 ( -0.631 3.333 -0.722) 3.469 8.155 ( 0.286 -1.920 -0.467) 1.996 8.394 ( -0.291 4.036 -0.323) 4.059 8.505 ( -0.045 3.313 0.354) 3.332 8.609 ( -0.117 -1.520 0.263) 1.547 8.631 ( -0.067 -1.095 0.383) 1.162 8.870 ( 0.292 1.024 1.103) 1.533 9.056 ( 0.651 -6.763 -0.486) 6.811 9.191 ( 0.273 3.042 0.051) 3.055 9.336 ( -0.099 -2.368 -0.443) 2.411 9.497 ( -0.981 4.492 0.311) 4.608 9.709 ( -0.529 0.820 -0.541) 1.116 9.798 ( -0.293 -4.659 -0.640) 4.712 9.893 ( -3.005 -0.715 2.303) 3.852 10.167 ( 1.519 3.289 -0.140) 3.626 10.186 ( -0.230 2.939 -0.753) 3.042 10.331 ( 1.904 2.125 0.025) 2.853 10.363 ( 0.133 -1.944 -0.041) 1.949 10.822 ( -0.136 3.339 -0.064) 3.342 11.436 ( 0.454 -17.779 -0.109) 17.785 11.728 ( 0.024 -3.480 -0.561) 3.526 11.755 ( -1.062 -2.134 -0.640) 2.468 12.311 ( 1.532 8.397 -1.686) 8.701 12.342 ( -1.904 7.481 1.052) 7.791 12.544 ( -0.516 2.802 2.124) 3.554 12.592 ( 1.228 3.040 -3.135) 4.536 12.676 ( -2.313 0.674 2.945) 3.805 12.711 ( 0.122 -1.863 -2.408) 3.047 12.818 ( 0.131 -1.338 -1.226) 1.820 12.882 ( 0.003 -2.400 1.909) 3.066 12.934 ( 0.266 5.343 0.032) 5.349 13.482 ( -0.108 -13.643 0.270) 13.647 13.622 ( 0.478 -0.625 -2.023) 2.170 13.697 ( 2.138 2.508 0.358) 3.315 13.791 ( -3.013 1.550 -0.310) 3.402 14.058 ( 0.667 -11.962 -1.695) 12.100 14.173 ( 0.750 1.634 1.488) 2.334 14.341 ( 1.131 -1.071 0.891) 1.795 14.390 ( -0.154 6.219 0.850) 6.279 14.534 ( 0.973 7.960 -0.904) 8.070 14.631 ( 0.129 0.648 0.359) 0.752 14.694 ( -0.267 0.656 -0.152) 0.724 20.553 ( -0.661 2.295 -0.700) 2.489 20.648 ( 0.184 -2.029 -0.266) 2.054 20.847 ( 3.509 1.404 1.087) 3.933 20.920 ( -2.771 -1.393 -1.482) 3.437 21.053 ( 0.104 0.581 -0.728) 0.937 21.096 ( 0.147 -2.184 0.070) 2.190 21.237 ( -0.158 3.340 0.820) 3.442 21.300 ( 1.008 4.493 1.096) 4.733 21.471 ( 0.432 -0.620 -1.224) 1.438 21.591 ( -0.471 0.430 3.544) 3.601 21.612 ( -1.189 -2.352 -2.122) 3.384 21.668 ( -0.447 -0.235 -3.055) 3.096 21.700 ( -0.079 1.142 -2.133) 2.420 21.918 ( -0.057 -11.047 0.241) 11.050 22.398 ( -0.629 5.896 0.458) 5.947 22.412 ( -0.901 3.229 6.159) 7.013 22.757 ( 1.962 -0.965 -3.244) 3.912 22.774 ( 0.006 -1.456 2.482) 2.878 22.912 ( -0.217 2.105 -0.595) 2.198 22.928 ( -2.275 0.347 -1.424) 2.706 22.934 ( -1.721 1.164 1.467) 2.544 23.037 ( -0.063 -3.243 0.270) 3.254 23.199 ( 0.482 1.576 0.111) 1.652 23.300 ( 0.437 -3.106 1.126) 3.333 23.879 ( -0.285 1.442 -0.011) 1.470 23.948 ( 0.791 -2.004 0.192) 2.163 24.069 ( 2.530 1.433 1.735) 3.386 24.125 ( 1.187 -1.792 -0.626) 2.238 24.227 ( -2.762 3.818 -2.007) 5.122 24.300 ( -2.416 2.260 -1.160) 3.506 24.602 ( 0.075 6.975 -0.237) 6.979 24.927 ( 0.019 -5.624 0.054) 5.625 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.000 -10.894 0.000) 10.894 0.489 ( 0.000 10.894 0.000) 10.894 0.641 ( 0.000 -11.105 0.000) 11.105 0.641 ( 0.000 11.105 0.000) 11.105 0.973 ( 0.000 -10.807 0.000) 10.807 0.973 ( 0.000 10.807 0.000) 10.807 1.021 ( 0.000 -4.236 0.000) 4.236 1.021 ( 0.000 4.236 0.000) 4.236 1.129 ( 0.000 -0.741 0.000) 0.741 1.129 ( 0.000 0.741 0.000) 0.741 1.173 ( 0.000 -0.247 0.000) 0.247 1.173 ( 0.000 0.247 0.000) 0.247 1.227 ( 0.000 -6.940 0.000) 6.940 1.227 ( 0.000 6.940 0.000) 6.940 1.366 ( 0.000 -3.135 0.000) 3.135 1.366 ( 0.000 3.135 0.000) 3.135 1.446 ( 0.000 -2.288 0.000) 2.288 1.446 ( 0.000 2.288 0.000) 2.288 1.529 ( 0.000 -0.503 0.000) 0.503 1.529 ( 0.000 0.503 0.000) 0.503 1.593 ( 0.000 -0.519 0.000) 0.519 1.593 ( 0.000 0.519 0.000) 0.519 1.655 ( 0.000 -1.408 0.000) 1.408 1.655 ( 0.000 1.408 0.000) 1.408 1.777 ( 0.000 -0.963 0.000) 0.963 1.777 ( 0.000 0.963 0.000) 0.963 1.934 ( 0.000 -3.855 0.000) 3.855 1.934 ( 0.000 3.855 0.000) 3.855 1.972 ( 0.000 -2.748 0.000) 2.748 1.972 ( 0.000 2.748 0.000) 2.748 2.247 ( 0.000 -1.594 0.000) 1.594 2.247 ( 0.000 1.594 0.000) 1.594 2.363 ( 0.000 -3.707 0.000) 3.707 2.363 ( 0.000 3.707 0.000) 3.707 2.511 ( 0.000 -13.628 0.000) 13.628 2.511 ( 0.000 13.628 0.000) 13.628 2.613 ( 0.000 -0.949 0.000) 0.949 2.613 ( 0.000 0.949 0.000) 0.949 2.755 ( 0.000 -7.372 0.000) 7.372 2.755 ( 0.000 7.372 0.000) 7.372 2.970 ( 0.000 -5.906 0.000) 5.906 2.970 ( 0.000 5.906 0.000) 5.906 3.096 ( 0.000 -3.222 0.000) 3.222 3.096 ( 0.000 3.222 0.000) 3.222 3.314 ( 0.000 -1.162 0.000) 1.162 3.314 ( 0.000 1.162 0.000) 1.162 3.551 ( 0.000 -5.627 0.000) 5.627 3.551 ( 0.000 5.627 0.000) 5.627 3.726 ( 0.000 -4.589 0.000) 4.589 3.726 ( 0.000 4.589 0.000) 4.589 3.862 ( 0.000 -6.463 0.000) 6.463 3.862 ( 0.000 6.463 0.000) 6.463 3.961 ( 0.000 -7.005 0.000) 7.005 3.961 ( 0.000 7.005 0.000) 7.005 4.183 ( 0.000 -3.524 0.000) 3.524 4.183 ( 0.000 3.524 0.000) 3.524 4.299 ( 0.000 -4.640 0.000) 4.640 4.299 ( 0.000 4.640 0.000) 4.640 4.333 ( 0.000 -3.875 0.000) 3.875 4.333 ( 0.000 3.875 0.000) 3.875 4.648 ( 0.000 -0.867 0.000) 0.867 4.648 ( 0.000 0.867 0.000) 0.867 4.828 ( 0.000 -3.834 0.000) 3.834 4.828 ( 0.000 3.834 0.000) 3.834 4.901 ( 0.000 -4.148 0.000) 4.148 4.901 ( 0.000 4.148 0.000) 4.148 5.059 ( 0.000 -1.767 0.000) 1.767 5.059 ( 0.000 1.767 0.000) 1.767 5.511 ( 0.000 -2.423 0.000) 2.423 5.511 ( 0.000 2.423 0.000) 2.423 5.776 ( 0.000 -7.061 0.000) 7.061 5.776 ( 0.000 7.061 0.000) 7.061 6.382 ( 0.000 -2.992 0.000) 2.992 6.382 ( 0.000 2.992 0.000) 2.992 6.679 ( 0.000 -3.836 0.000) 3.836 6.679 ( 0.000 3.836 0.000) 3.836 7.131 ( 0.000 -7.781 0.000) 7.781 7.131 ( 0.000 7.781 0.000) 7.781 7.615 ( 0.000 -4.303 0.000) 4.303 7.615 ( 0.000 4.303 0.000) 4.303 7.898 ( 0.000 -0.104 0.000) 0.104 7.898 ( 0.000 0.104 0.000) 0.104 8.115 ( 0.000 -1.752 0.000) 1.752 8.115 ( 0.000 1.752 0.000) 1.752 8.480 ( 0.000 -0.863 0.000) 0.863 8.480 ( 0.000 0.863 0.000) 0.863 8.596 ( 0.000 -1.403 0.000) 1.403 8.596 ( 0.000 1.403 0.000) 1.403 8.898 ( 0.000 -6.132 0.000) 6.132 8.898 ( 0.000 6.132 0.000) 6.132 9.228 ( 0.000 -3.445 0.000) 3.445 9.228 ( 0.000 3.445 0.000) 3.445 9.578 ( 0.000 -2.824 0.000) 2.824 9.578 ( 0.000 2.824 0.000) 2.824 10.055 ( 0.000 -1.643 0.000) 1.643 10.055 ( 0.000 1.643 0.000) 1.643 10.147 ( 0.000 -1.461 0.000) 1.461 10.147 ( 0.000 1.461 0.000) 1.461 10.289 ( 0.000 -3.590 0.000) 3.590 10.289 ( 0.000 3.590 0.000) 3.590 11.027 ( 0.000 -14.659 0.000) 14.659 11.027 ( 0.000 14.659 0.000) 14.659 11.758 ( 0.000 -0.017 0.000) 0.017 11.758 ( 0.000 0.017 0.000) 0.017 12.422 ( 0.000 -2.830 0.000) 2.830 12.422 ( 0.000 2.830 0.000) 2.830 12.546 ( 0.000 -0.158 0.000) 0.158 12.546 ( 0.000 0.158 0.000) 0.158 12.789 ( 0.000 -1.941 0.000) 1.941 12.789 ( 0.000 1.941 0.000) 1.941 12.816 ( 0.000 -2.226 0.000) 2.226 12.816 ( 0.000 2.226 0.000) 2.226 13.222 ( 0.000 -10.360 0.000) 10.360 13.222 ( 0.000 10.360 0.000) 10.360 13.654 ( 0.000 -7.069 0.000) 7.069 13.654 ( 0.000 7.069 0.000) 7.069 13.867 ( 0.000 -5.220 0.000) 5.220 13.867 ( 0.000 5.220 0.000) 5.220 14.173 ( 0.000 -3.335 0.000) 3.335 14.173 ( 0.000 3.335 0.000) 3.335 14.527 ( 0.000 -5.256 0.000) 5.256 14.527 ( 0.000 5.256 0.000) 5.256 14.651 ( 0.000 -5.031 0.000) 5.031 14.651 ( 0.000 5.031 0.000) 5.031 20.598 ( 0.000 -0.839 0.000) 0.839 20.598 ( 0.000 0.839 0.000) 0.839 20.915 ( 0.000 -4.170 0.000) 4.170 20.915 ( 0.000 4.170 0.000) 4.170 21.056 ( 0.000 -1.390 0.000) 1.390 21.056 ( 0.000 1.390 0.000) 1.390 21.253 ( 0.000 -0.342 0.000) 0.342 21.253 ( 0.000 0.342 0.000) 0.342 21.566 ( 0.000 -2.141 0.000) 2.141 21.566 ( 0.000 2.141 0.000) 2.141 21.671 ( 0.000 -0.980 0.000) 0.980 21.671 ( 0.000 0.980 0.000) 0.980 21.790 ( 0.000 -5.542 0.000) 5.542 21.790 ( 0.000 5.542 0.000) 5.542 22.441 ( 0.000 -1.678 0.000) 1.678 22.441 ( 0.000 1.678 0.000) 1.678 22.726 ( 0.000 -0.662 0.000) 0.662 22.726 ( 0.000 0.662 0.000) 0.662 22.988 ( 0.000 -0.828 0.000) 0.828 22.988 ( 0.000 0.828 0.000) 0.828 23.058 ( 0.000 -0.952 0.000) 0.952 23.058 ( 0.000 0.952 0.000) 0.952 23.160 ( 0.000 -1.619 0.000) 1.619 23.160 ( 0.000 1.619 0.000) 1.619 23.899 ( 0.000 -1.483 0.000) 1.483 23.899 ( 0.000 1.483 0.000) 1.483 24.038 ( 0.000 -0.070 0.000) 0.070 24.038 ( 0.000 0.070 0.000) 0.070 24.456 ( 0.000 -5.035 0.000) 5.035 24.456 ( 0.000 5.035 0.000) 5.035 24.766 ( 0.000 -5.870 0.000) 5.870 24.766 ( 0.000 5.870 0.000) 5.870 ======================= Grid point 12 (8/63) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 2.315 -4.928 -2.170) 5.861 0.517 ( 2.315 4.928 -2.170) 5.861 0.649 ( 3.077 -3.690 -3.815) 6.135 0.649 ( 3.077 3.690 -3.815) 6.135 0.929 ( -4.205 -1.721 0.896) 4.631 0.929 ( -4.205 1.721 0.896) 4.631 1.064 ( 2.433 -2.084 -2.274) 3.928 1.064 ( 2.433 2.084 -2.274) 3.928 1.102 ( -1.505 -1.480 0.712) 2.227 1.102 ( -1.505 1.480 0.712) 2.227 1.208 ( 1.740 -2.201 0.369) 2.830 1.208 ( 1.740 2.201 0.369) 2.830 1.264 ( 3.453 -6.396 0.833) 7.316 1.264 ( 3.453 6.396 0.833) 7.316 1.366 ( -0.042 -2.822 -0.364) 2.846 1.366 ( -0.042 2.822 -0.364) 2.846 1.435 ( -1.156 -1.564 0.649) 2.050 1.435 ( -1.156 1.564 0.649) 2.050 1.511 ( -1.066 -1.945 0.300) 2.238 1.511 ( -1.066 1.945 0.300) 2.238 1.574 ( -1.191 -1.750 -0.189) 2.126 1.574 ( -1.191 1.750 -0.189) 2.126 1.680 ( 2.183 -1.261 2.388) 3.472 1.680 ( 2.183 1.261 2.388) 3.472 1.758 ( -2.504 -1.383 -0.006) 2.860 1.758 ( -2.504 1.383 -0.006) 2.860 1.907 ( -1.633 -4.414 -0.093) 4.708 1.907 ( -1.633 4.414 -0.093) 4.708 1.978 ( 0.190 -1.967 1.987) 2.802 1.978 ( 0.190 1.967 1.987) 2.802 2.251 ( 0.189 -1.141 0.027) 1.157 2.251 ( 0.189 1.141 0.027) 1.157 2.371 ( -0.777 -2.990 0.214) 3.097 2.371 ( -0.777 2.990 0.214) 3.097 2.473 ( -1.544 -7.860 -0.984) 8.071 2.473 ( -1.544 7.860 -0.984) 8.071 2.606 ( -0.722 -5.453 -1.325) 5.658 2.606 ( -0.722 5.453 -1.325) 5.658 2.750 ( 0.463 -4.515 0.007) 4.538 2.750 ( 0.463 4.515 0.007) 4.538 2.956 ( -1.604 -4.179 0.540) 4.509 2.956 ( -1.604 4.179 0.540) 4.509 3.114 ( 0.480 -3.915 3.031) 4.974 3.114 ( 0.480 3.915 3.031) 4.974 3.400 ( 7.060 -0.988 1.645) 7.316 3.400 ( 7.060 0.988 1.645) 7.316 3.533 ( -0.139 -3.668 -1.202) 3.862 3.533 ( -0.139 3.668 -1.202) 3.862 3.740 ( -0.357 -5.895 -1.254) 6.038 3.740 ( -0.357 5.895 -1.254) 6.038 3.901 ( 2.450 -3.842 0.923) 4.650 3.901 ( 2.450 3.842 0.923) 4.650 3.989 ( 3.328 -8.208 -0.894) 8.902 3.989 ( 3.328 8.208 -0.894) 8.902 4.167 ( -0.621 -0.755 -1.707) 1.967 4.167 ( -0.621 0.755 -1.707) 1.967 4.316 ( 0.736 -1.310 1.059) 1.839 4.316 ( 0.736 1.310 1.059) 1.839 4.360 ( 2.747 -4.778 -1.918) 5.836 4.360 ( 2.747 4.778 -1.918) 5.836 4.626 ( -1.756 -1.911 0.642) 2.673 4.626 ( -1.756 1.911 0.642) 2.673 4.820 ( -1.062 -1.336 1.631) 2.361 4.820 ( -1.062 1.336 1.631) 2.361 4.950 ( 4.276 -2.630 -1.304) 5.187 4.950 ( 4.276 2.630 -1.304) 5.187 5.028 ( -2.439 -1.781 -1.032) 3.191 5.028 ( -2.439 1.781 -1.032) 3.191 5.487 ( -2.420 -0.591 1.405) 2.860 5.487 ( -2.420 0.591 1.405) 2.860 5.777 ( 0.143 -7.579 -0.277) 7.586 5.777 ( 0.143 7.579 -0.277) 7.586 6.348 ( -2.687 -3.820 -0.361) 4.684 6.348 ( -2.687 3.820 -0.361) 4.684 6.694 ( 1.374 -4.597 -0.242) 4.804 6.694 ( 1.374 4.597 -0.242) 4.804 7.151 ( 1.673 -6.813 -0.300) 7.022 7.151 ( 1.673 6.813 -0.300) 7.022 7.607 ( -0.611 -4.532 -0.417) 4.592 7.607 ( -0.611 4.532 -0.417) 4.592 7.904 ( 0.369 -0.724 0.443) 0.925 7.904 ( 0.369 0.724 0.443) 0.925 8.107 ( -0.466 -2.449 -0.753) 2.604 8.107 ( -0.466 2.449 -0.753) 2.604 8.489 ( 0.521 -3.323 -0.202) 3.370 8.489 ( 0.521 3.323 -0.202) 3.370 8.599 ( 0.179 -1.230 0.580) 1.372 8.599 ( 0.179 1.230 0.580) 1.372 8.911 ( 0.905 -5.221 0.578) 5.330 8.911 ( 0.905 5.221 0.578) 5.330 9.244 ( 1.523 -3.915 -0.723) 4.262 9.244 ( 1.523 3.915 -0.723) 4.262 9.589 ( 1.013 -4.249 0.099) 4.369 9.589 ( 1.013 4.249 0.099) 4.369 9.950 ( -7.536 -3.434 2.880) 8.768 9.950 ( -7.536 3.434 2.880) 8.768 10.198 ( 2.535 -1.968 -1.497) 3.541 10.198 ( 2.535 1.968 -1.497) 3.541 10.308 ( 1.663 -2.300 -0.182) 2.844 10.308 ( 1.663 2.300 -0.182) 2.844 11.033 ( 0.491 -15.715 0.272) 15.725 11.033 ( 0.491 15.715 0.272) 15.725 11.740 ( -1.348 -1.345 -0.951) 2.129 11.740 ( -1.348 1.345 -0.951) 2.129 12.416 ( -0.290 -2.014 -0.896) 2.224 12.416 ( -0.290 2.014 -0.896) 2.224 12.564 ( 1.440 -0.768 0.971) 1.899 12.564 ( 1.440 0.768 0.971) 1.899 12.754 ( -1.300 -1.944 -8.381) 8.701 12.754 ( -1.300 1.944 -8.381) 8.701 12.820 ( -1.244 -2.282 7.728) 8.153 12.820 ( -1.244 2.282 7.728) 8.153 13.192 ( -2.075 -13.452 -0.288) 13.614 13.192 ( -2.075 13.452 -0.288) 13.614 13.669 ( 1.100 -5.513 0.094) 5.622 13.669 ( 1.100 5.513 0.094) 5.622 13.857 ( -0.365 -5.234 -1.891) 5.577 13.857 ( -0.365 5.234 -1.891) 5.577 14.211 ( 2.155 -4.082 3.898) 6.041 14.211 ( 2.155 4.082 3.898) 6.041 14.540 ( 1.305 -5.527 -2.488) 6.200 14.540 ( 1.305 5.527 -2.488) 6.200 14.658 ( 0.641 -4.513 0.651) 4.604 14.658 ( 0.641 4.513 0.651) 4.604 20.602 ( 0.259 -1.329 -0.349) 1.398 20.602 ( 0.259 1.329 -0.349) 1.398 20.892 ( -1.032 -4.044 -1.607) 4.472 20.892 ( -1.032 4.044 -1.607) 4.472 21.067 ( 0.441 -1.085 -0.116) 1.177 21.067 ( 0.441 1.085 -0.116) 1.177 21.280 ( 1.774 -1.015 3.065) 3.684 21.280 ( 1.774 1.015 3.065) 3.684 21.543 ( -1.492 -3.757 -2.717) 4.870 21.543 ( -1.492 3.757 -2.717) 4.870 21.662 ( -0.559 -1.937 -1.498) 2.512 21.662 ( -0.559 1.937 -1.498) 2.512 21.770 ( -1.056 -5.040 -2.456) 5.705 21.770 ( -1.056 5.040 -2.456) 5.705 22.457 ( -0.432 -1.195 8.014) 8.114 22.457 ( -0.432 1.195 8.014) 8.114 22.728 ( 0.878 -0.894 -2.555) 2.846 22.728 ( 0.878 0.894 -2.555) 2.846 22.986 ( -0.475 -1.738 0.447) 1.856 22.986 ( -0.475 1.738 0.447) 1.856 22.993 ( -3.947 -1.224 -0.491) 4.162 22.993 ( -3.947 1.224 -0.491) 4.162 23.204 ( 2.273 -1.739 1.331) 3.157 23.204 ( 2.273 1.739 1.331) 3.157 23.904 ( 0.358 -1.244 0.139) 1.302 23.904 ( 0.358 1.244 0.139) 1.302 24.055 ( 1.673 -0.912 -0.134) 1.910 24.055 ( 1.673 0.912 -0.134) 1.910 24.393 ( -4.816 -3.238 -1.719) 6.053 24.393 ( -4.816 3.238 -1.719) 6.053 24.771 ( 0.300 -7.752 -0.165) 7.759 24.771 ( 0.300 7.752 -0.165) 7.759 ======================= Grid point 14 (9/63) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 2.409 -9.405 -0.675) 9.732 0.561 ( 2.409 9.405 -0.675) 9.732 0.699 ( 0.887 -2.744 -3.760) 4.739 0.699 ( 0.887 2.744 -3.760) 4.739 0.890 ( 1.229 -3.816 1.267) 4.205 0.890 ( 1.229 3.816 1.267) 4.205 1.023 ( -3.290 -7.672 0.714) 8.379 1.023 ( -3.290 7.672 0.714) 8.379 1.098 ( -0.435 -1.942 -1.165) 2.306 1.098 ( -0.435 1.942 -1.165) 2.306 1.238 ( 0.750 -1.798 1.187) 2.281 1.238 ( 0.750 1.798 1.187) 2.281 1.326 ( 2.223 -1.755 -1.640) 3.273 1.326 ( 2.223 1.755 -1.640) 3.273 1.363 ( 0.082 -3.842 -0.751) 3.916 1.363 ( 0.082 3.842 -0.751) 3.916 1.402 ( -1.918 -1.854 1.439) 3.031 1.402 ( -1.918 1.854 1.439) 3.031 1.497 ( -1.249 -4.620 -0.078) 4.786 1.497 ( -1.249 4.620 -0.078) 4.786 1.570 ( 0.539 -2.892 1.062) 3.127 1.570 ( 0.539 2.892 1.062) 3.127 1.699 ( 0.041 -0.445 0.311) 0.544 1.699 ( 0.041 0.445 0.311) 0.544 1.751 ( 1.016 -6.917 0.312) 6.998 1.751 ( 1.016 6.917 0.312) 6.998 1.891 ( 0.294 -1.156 0.645) 1.356 1.891 ( 0.294 1.156 0.645) 1.356 1.990 ( 0.339 -1.049 1.059) 1.529 1.990 ( 0.339 1.049 1.059) 1.529 2.249 ( -0.262 -0.345 0.106) 0.446 2.249 ( -0.262 0.345 0.106) 0.446 2.294 ( -4.322 -3.768 -0.239) 5.739 2.294 ( -4.322 3.768 -0.239) 5.739 2.507 ( 3.414 -3.428 -0.597) 4.875 2.507 ( 3.414 3.428 -0.597) 4.875 2.573 ( -2.177 -7.456 -0.674) 7.797 2.573 ( -2.177 7.456 -0.674) 7.797 2.786 ( 2.532 -3.295 -0.153) 4.158 2.786 ( 2.532 3.295 -0.153) 4.158 2.907 ( -2.993 -1.768 1.005) 3.619 2.907 ( -2.993 1.768 1.005) 3.619 3.129 ( 0.347 -0.767 0.719) 1.107 3.129 ( 0.347 0.767 0.719) 1.107 3.526 ( 1.863 -0.681 1.586) 2.540 3.526 ( 1.863 0.681 1.586) 2.540 3.566 ( 5.302 -7.352 0.360) 9.072 3.566 ( 5.302 7.352 0.360) 9.072 3.687 ( -3.941 -6.365 -2.342) 7.844 3.687 ( -3.941 6.365 -2.342) 7.844 3.937 ( 0.990 -0.839 0.185) 1.311 3.937 ( 0.990 0.839 0.185) 1.311 4.051 ( 1.679 -4.779 1.149) 5.194 4.051 ( 1.679 4.779 1.149) 5.194 4.161 ( 0.566 -2.614 -2.197) 3.461 4.161 ( 0.566 2.614 -2.197) 3.461 4.330 ( 0.301 -0.775 0.607) 1.030 4.330 ( 0.301 0.775 0.607) 1.030 4.399 ( 1.320 -3.409 -1.296) 3.879 4.399 ( 1.320 3.409 -1.296) 3.879 4.600 ( -0.802 -2.714 0.561) 2.885 4.600 ( -0.802 2.714 0.561) 2.885 4.806 ( -0.642 -1.417 1.195) 1.962 4.806 ( -0.642 1.417 1.195) 1.962 4.969 ( -1.599 -2.289 -0.524) 2.841 4.969 ( -1.599 2.289 -0.524) 2.841 5.032 ( 2.590 -5.131 -1.052) 5.843 5.032 ( 2.590 5.131 -1.052) 5.843 5.442 ( -1.853 -4.183 0.942) 4.671 5.442 ( -1.853 4.183 0.942) 4.671 5.779 ( 0.119 -8.190 -0.154) 8.193 5.779 ( 0.119 8.190 -0.154) 8.193 6.301 ( -1.382 -3.564 -0.188) 3.828 6.301 ( -1.382 3.564 -0.188) 3.828 6.718 ( 0.796 -5.502 -0.131) 5.561 6.718 ( 0.796 5.502 -0.131) 5.561 7.180 ( 0.987 -5.106 -0.179) 5.204 7.180 ( 0.987 5.106 -0.179) 5.204 7.594 ( -0.383 -5.001 -0.240) 5.021 7.594 ( -0.383 5.001 -0.240) 5.021 7.911 ( 0.157 -1.220 0.241) 1.254 7.911 ( 0.157 1.220 0.241) 1.254 8.098 ( -0.145 -3.322 -0.397) 3.349 8.098 ( -0.145 3.322 -0.397) 3.349 8.492 ( -0.011 -4.169 -0.173) 4.173 8.492 ( -0.011 4.169 -0.173) 4.173 8.605 ( 0.178 -1.204 0.412) 1.284 8.605 ( 0.178 1.204 0.412) 1.284 8.927 ( 0.444 -4.634 0.247) 4.661 8.927 ( 0.444 4.634 0.247) 4.661 9.269 ( 0.851 -3.715 -0.520) 3.847 9.269 ( 0.851 3.715 -0.520) 3.847 9.614 ( 1.197 -6.544 -0.170) 6.655 9.614 ( 1.197 6.544 -0.170) 6.655 9.832 ( -4.139 -4.512 1.612) 6.331 9.832 ( -4.139 4.512 1.612) 6.331 10.224 ( 0.619 -1.554 -0.476) 1.739 10.224 ( 0.619 1.554 -0.476) 1.739 10.336 ( 0.847 -1.041 -0.117) 1.347 10.336 ( 0.847 1.041 -0.117) 1.347 11.045 ( 0.423 -16.724 0.167) 16.730 11.045 ( 0.423 16.724 0.167) 16.730 11.713 ( -0.781 -1.308 -0.573) 1.627 11.713 ( -0.781 1.308 -0.573) 1.627 12.409 ( -0.118 -1.083 -0.440) 1.175 12.409 ( -0.118 1.083 -0.440) 1.175 12.597 ( 1.223 -1.971 0.885) 2.483 12.597 ( 1.223 1.971 0.885) 2.483 12.703 ( -1.288 -1.646 -3.318) 3.921 12.703 ( -1.288 1.646 -3.318) 3.921 12.819 ( -0.553 -2.915 2.628) 3.964 12.819 ( -0.553 2.915 2.628) 3.964 13.162 ( -0.732 -14.734 -0.144) 14.753 13.162 ( -0.732 14.734 -0.144) 14.753 13.687 ( 0.532 -4.285 0.077) 4.319 13.687 ( 0.532 4.285 0.077) 4.319 13.847 ( -0.121 -5.667 -0.850) 5.732 13.847 ( -0.121 5.667 -0.850) 5.732 14.254 ( 0.892 -4.801 1.974) 5.267 14.254 ( 0.892 4.801 1.974) 5.267 14.550 ( 0.358 -6.315 -1.438) 6.486 14.550 ( 0.358 6.315 -1.438) 6.486 14.675 ( 0.565 -3.986 0.337) 4.040 14.675 ( 0.565 3.986 0.337) 4.040 20.602 ( 0.001 -2.261 -0.328) 2.285 20.602 ( 0.001 2.261 -0.328) 2.285 20.882 ( 0.190 -1.891 -0.525) 1.972 20.882 ( 0.190 1.891 -0.525) 1.972 21.066 ( -0.208 -0.814 -0.312) 0.896 21.066 ( -0.208 0.814 -0.312) 0.896 21.320 ( 0.863 -3.143 2.245) 3.958 21.320 ( 0.863 3.143 2.245) 3.958 21.509 ( -0.696 -4.602 -2.253) 5.170 21.509 ( -0.696 4.602 -2.253) 5.170 21.646 ( -0.438 -2.103 -0.844) 2.308 21.646 ( -0.438 2.103 -0.844) 2.308 21.748 ( -0.472 -4.440 -0.914) 4.557 21.748 ( -0.472 4.440 -0.914) 4.557 22.461 ( -0.897 -0.162 4.023) 4.125 22.461 ( -0.897 0.162 4.023) 4.125 22.747 ( 1.220 -0.638 -1.190) 1.820 22.747 ( 1.220 0.638 -1.190) 1.820 22.929 ( -1.874 -0.306 0.073) 1.900 22.929 ( -1.874 0.306 0.073) 1.900 22.981 ( -0.213 -2.384 0.057) 2.395 22.981 ( -0.213 2.384 0.057) 2.395 23.238 ( 0.769 -2.360 0.590) 2.551 23.238 ( 0.769 2.360 0.590) 2.551 23.910 ( 0.179 -1.532 0.084) 1.545 23.910 ( 0.179 1.532 0.084) 1.545 24.093 ( 1.556 -1.208 0.122) 1.973 24.093 ( 1.556 1.208 0.122) 1.973 24.303 ( -2.810 -2.170 -1.137) 3.728 24.303 ( -2.810 2.170 -1.137) 3.728 24.774 ( 0.051 -8.316 -0.075) 8.317 24.774 ( 0.051 8.316 -0.075) 8.317 ======================= Grid point 25 (10/63) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.208 ( 18.872 0.000 12.415) 22.590 0.245 ( 6.768 0.000 13.160) 14.799 0.637 ( -8.599 0.000 27.698) 29.002 0.924 ( -0.507 0.000 1.010) 1.130 0.942 ( 1.061 0.000 1.642) 1.955 1.028 ( -1.592 0.000 4.167) 4.461 1.057 ( 0.658 0.000 -1.266) 1.427 1.115 ( -1.584 0.000 11.918) 12.023 1.134 ( -1.153 0.000 0.514) 1.263 1.263 ( -0.322 0.000 5.371) 5.380 1.287 ( -0.057 0.000 0.823) 0.825 1.291 ( -3.216 0.000 1.008) 3.371 1.365 ( -1.209 0.000 2.101) 2.424 1.405 ( 0.588 0.000 0.466) 0.750 1.421 ( -1.788 0.000 6.312) 6.560 1.443 ( -5.020 0.000 8.766) 10.102 1.472 ( 0.676 0.000 7.268) 7.300 1.484 ( -1.713 0.000 5.048) 5.331 1.518 ( 2.317 0.000 3.329) 4.056 1.559 ( -0.663 0.000 4.996) 5.039 1.637 ( 0.860 0.000 13.956) 13.983 1.702 ( -2.137 0.000 6.714) 7.045 1.746 ( 1.172 0.000 3.628) 3.812 1.768 ( 1.000 0.000 0.464) 1.102 1.822 ( 0.560 0.000 2.122) 2.195 1.901 ( 1.730 0.000 0.164) 1.738 1.908 ( -8.619 0.000 -2.819) 9.068 1.998 ( 2.758 0.000 2.096) 3.464 2.029 ( 5.433 0.000 -1.649) 5.678 2.110 ( 0.244 0.000 2.595) 2.607 2.126 ( 2.446 0.000 0.536) 2.503 2.194 ( 0.033 0.000 0.718) 0.719 2.269 ( 0.493 0.000 -2.879) 2.921 2.281 ( -2.156 0.000 6.109) 6.478 2.434 ( 10.645 0.000 -0.563) 10.660 2.464 ( -1.404 0.000 -0.398) 1.459 2.490 ( 0.479 0.000 2.067) 2.121 2.568 ( -5.790 0.000 2.720) 6.397 2.709 ( -0.567 0.000 4.243) 4.281 2.793 ( -2.224 0.000 2.264) 3.173 2.989 ( 0.414 0.000 -3.656) 3.679 3.090 ( 4.373 0.000 -3.083) 5.350 3.105 ( -1.929 0.000 -2.634) 3.265 3.213 ( 9.442 0.000 2.104) 9.674 3.271 ( 3.055 0.000 3.611) 4.731 3.311 ( 5.497 0.000 -4.333) 6.999 3.492 ( -0.226 0.000 -2.780) 2.789 3.523 ( 1.623 0.000 -5.442) 5.678 3.569 ( -1.747 0.000 -2.056) 2.698 3.637 ( 1.639 0.000 -4.965) 5.228 3.776 ( -0.596 0.000 -0.788) 0.987 3.872 ( -3.278 0.000 -4.769) 5.787 3.945 ( -8.310 0.000 -3.405) 8.980 3.982 ( 7.504 0.000 -3.659) 8.349 4.089 ( -0.060 0.000 -0.312) 0.317 4.135 ( 0.355 0.000 -2.284) 2.311 4.230 ( -4.556 0.000 2.412) 5.155 4.312 ( -1.466 0.000 0.882) 1.711 4.353 ( -1.301 0.000 -1.602) 2.064 4.387 ( -2.910 0.000 -3.954) 4.910 4.577 ( -1.741 0.000 -2.372) 2.942 4.721 ( 2.598 0.000 -5.854) 6.405 4.734 ( 2.765 0.000 3.454) 4.425 4.943 ( -5.220 0.000 5.928) 7.898 4.985 ( 0.538 0.000 1.647) 1.733 5.030 ( -2.772 0.000 2.738) 3.897 5.126 ( 2.268 0.000 2.350) 3.266 5.199 ( -1.850 0.000 4.347) 4.724 5.374 ( -3.377 0.000 0.952) 3.509 5.407 ( -2.378 0.000 -0.692) 2.477 5.668 ( 1.432 0.000 3.759) 4.022 5.963 ( -0.313 0.000 0.706) 0.772 6.351 ( 0.024 0.000 0.404) 0.405 6.389 ( 1.042 0.000 -4.571) 4.688 6.565 ( -0.016 0.000 1.164) 1.164 6.657 ( -1.651 0.000 5.659) 5.895 7.092 ( -1.384 0.000 2.178) 2.580 7.375 ( -1.031 0.000 -0.072) 1.034 7.415 ( 0.146 0.000 0.106) 0.180 7.672 ( 0.384 0.000 -0.340) 0.513 7.905 ( -0.165 0.000 1.211) 1.222 7.940 ( 1.192 0.000 -3.951) 4.127 7.947 ( 0.363 0.000 3.950) 3.966 8.177 ( -0.324 0.000 -0.537) 0.628 8.304 ( 0.575 0.000 -6.831) 6.855 8.406 ( 0.913 0.000 -1.260) 1.556 8.444 ( 4.357 0.000 -13.794) 14.466 8.571 ( 0.591 0.000 -9.438) 9.456 8.819 ( 6.564 0.000 -2.569) 7.049 9.085 ( -0.299 0.000 -5.905) 5.912 9.099 ( 2.123 0.000 -4.474) 4.952 9.314 ( 0.944 0.000 -4.946) 5.036 9.573 ( -0.967 0.000 1.476) 1.765 9.638 ( -2.349 0.000 4.021) 4.657 9.918 ( -0.373 0.000 1.448) 1.495 9.986 ( -3.289 0.000 9.381) 9.941 10.159 ( 1.018 0.000 2.604) 2.796 10.219 ( 0.405 0.000 0.469) 0.620 10.354 ( 0.460 0.000 -1.454) 1.525 10.387 ( -2.322 0.000 2.176) 3.183 10.830 ( -0.585 0.000 0.326) 0.670 11.672 ( -6.601 0.000 1.090) 6.690 11.790 ( 0.310 0.000 -2.650) 2.668 11.805 ( -0.349 0.000 0.110) 0.366 12.045 ( 0.648 0.000 -3.478) 3.538 12.226 ( 2.017 0.000 -8.372) 8.612 12.263 ( 1.955 0.000 -14.958) 15.086 12.430 ( 2.568 0.000 -12.898) 13.152 12.575 ( -3.587 0.000 -11.648) 12.187 12.763 ( -1.239 0.000 -0.476) 1.328 12.799 ( 6.970 0.000 -1.384) 7.106 12.855 ( 0.306 0.000 6.654) 6.661 13.099 ( -1.325 0.000 5.152) 5.319 13.505 ( -9.477 0.000 3.979) 10.278 13.553 ( 0.168 0.000 -2.508) 2.514 13.814 ( -9.082 0.000 6.195) 10.994 13.947 ( -3.305 0.000 3.025) 4.480 14.095 ( 3.968 0.000 -5.813) 7.038 14.206 ( 0.115 0.000 7.952) 7.952 14.258 ( -2.410 0.000 0.950) 2.590 14.381 ( -1.031 0.000 -1.806) 2.080 14.560 ( 8.438 0.000 4.570) 9.596 14.600 ( -0.850 0.000 6.901) 6.953 14.727 ( -2.456 0.000 1.791) 3.039 20.553 ( -2.808 0.000 -2.826) 3.983 20.661 ( -1.763 0.000 -2.357) 2.943 20.680 ( 2.582 0.000 1.116) 2.813 21.037 ( -2.954 0.000 -2.135) 3.645 21.041 ( -1.931 0.000 0.629) 2.031 21.075 ( 1.979 0.000 -3.155) 3.725 21.120 ( 2.580 0.000 -4.185) 4.917 21.197 ( 0.626 0.000 -1.139) 1.299 21.217 ( 2.335 0.000 0.044) 2.336 21.519 ( 1.787 0.000 -4.909) 5.224 21.660 ( -0.852 0.000 2.135) 2.299 21.720 ( -5.177 0.000 -6.683) 8.454 21.763 ( -0.465 0.000 5.456) 5.476 22.212 ( -1.507 0.000 -8.897) 9.023 22.241 ( 2.832 0.000 8.586) 9.041 22.463 ( 13.583 0.000 -8.075) 15.802 22.784 ( 1.869 0.000 6.623) 6.882 22.825 ( -4.759 0.000 4.642) 6.648 22.968 ( -4.086 0.000 5.610) 6.940 23.031 ( -2.658 0.000 3.381) 4.300 23.075 ( 0.665 0.000 5.760) 5.798 23.123 ( 1.317 0.000 2.178) 2.545 23.166 ( 2.074 0.000 -0.496) 2.132 23.451 ( 4.098 0.000 3.739) 5.547 23.875 ( 0.611 0.000 1.134) 1.288 23.880 ( -0.242 0.000 0.537) 0.589 23.974 ( 1.487 0.000 2.709) 3.091 24.068 ( -1.579 0.000 -0.627) 1.699 24.350 ( -1.928 0.000 4.966) 5.327 24.473 ( 0.060 0.000 -4.483) 4.483 24.590 ( -13.762 0.000 -1.237) 13.818 24.887 ( 5.314 0.000 -3.980) 6.639 ======================= Grid point 26 (11/63) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 9.367 0.000 10.310) 13.930 0.538 ( 3.847 0.000 17.379) 17.800 0.760 ( 15.514 0.000 15.078) 21.633 0.903 ( -2.904 0.000 -0.255) 2.915 0.935 ( -2.278 0.000 2.312) 3.245 1.029 ( 0.529 0.000 3.751) 3.788 1.034 ( -2.185 0.000 -2.981) 3.696 1.096 ( -3.339 0.000 3.653) 4.949 1.153 ( 1.113 0.000 10.123) 10.184 1.197 ( -3.990 0.000 -1.313) 4.201 1.254 ( -3.138 0.000 -1.066) 3.314 1.295 ( -0.896 0.000 7.920) 7.971 1.320 ( -3.621 0.000 9.039) 9.737 1.339 ( -2.045 0.000 1.562) 2.573 1.408 ( -0.978 0.000 3.906) 4.026 1.422 ( -1.123 0.000 3.950) 4.107 1.477 ( -3.874 0.000 3.097) 4.959 1.513 ( 0.322 0.000 7.098) 7.105 1.542 ( 0.089 0.000 5.611) 5.611 1.586 ( 2.633 0.000 1.228) 2.905 1.653 ( -4.466 0.000 12.167) 12.961 1.678 ( -0.907 0.000 6.223) 6.288 1.749 ( -3.460 0.000 6.379) 7.257 1.764 ( -3.133 0.000 -1.905) 3.667 1.804 ( 0.052 0.000 1.442) 1.443 1.825 ( 0.653 0.000 3.830) 3.885 1.915 ( 0.783 0.000 1.145) 1.387 1.993 ( -2.380 0.000 2.443) 3.410 2.096 ( -6.153 0.000 2.133) 6.512 2.131 ( 5.838 0.000 -0.957) 5.915 2.168 ( -3.140 0.000 -1.876) 3.658 2.210 ( 3.241 0.000 2.300) 3.974 2.290 ( 3.327 0.000 1.404) 3.611 2.307 ( 3.378 0.000 2.866) 4.430 2.438 ( -0.953 0.000 0.092) 0.958 2.465 ( -4.146 0.000 -0.159) 4.149 2.502 ( 1.063 0.000 1.076) 1.513 2.588 ( 3.592 0.000 0.645) 3.650 2.676 ( -4.199 0.000 4.214) 5.949 2.764 ( 0.686 0.000 1.616) 1.756 2.967 ( -1.961 0.000 -1.023) 2.212 3.062 ( -0.937 0.000 0.113) 0.944 3.067 ( -0.607 0.000 -1.607) 1.718 3.171 ( -3.745 0.000 5.102) 6.329 3.339 ( 2.480 0.000 0.973) 2.664 3.467 ( -0.075 0.000 -1.228) 1.230 3.495 ( -2.886 0.000 -5.218) 5.963 3.608 ( 4.585 0.000 -6.643) 8.071 3.669 ( 4.853 0.000 -3.361) 5.903 3.762 ( -4.841 0.000 1.755) 5.149 3.774 ( 6.695 0.000 -10.275) 12.264 3.795 ( 2.536 0.000 -3.050) 3.967 3.953 ( 16.887 0.000 -20.779) 26.775 4.095 ( 0.667 0.000 0.695) 0.964 4.109 ( 4.423 0.000 1.435) 4.650 4.125 ( -0.113 0.000 -2.621) 2.624 4.229 ( 0.115 0.000 -3.355) 3.357 4.283 ( -1.601 0.000 -0.266) 1.622 4.331 ( 2.083 0.000 -1.711) 2.696 4.375 ( 2.323 0.000 -5.081) 5.586 4.539 ( -2.047 0.000 -1.024) 2.289 4.748 ( 1.740 0.000 -4.692) 5.004 4.757 ( -2.708 0.000 5.395) 6.036 4.909 ( 2.630 0.000 4.192) 4.949 4.961 ( -3.674 0.000 2.445) 4.413 5.015 ( -1.908 0.000 3.271) 3.787 5.103 ( -5.812 0.000 2.168) 6.203 5.185 ( -0.476 0.000 3.870) 3.899 5.365 ( -0.334 0.000 0.263) 0.425 5.375 ( 3.293 0.000 -1.739) 3.724 5.696 ( -0.223 0.000 4.424) 4.430 5.978 ( 1.156 0.000 0.802) 1.407 6.354 ( 0.255 0.000 0.388) 0.464 6.420 ( 2.729 0.000 -4.003) 4.845 6.544 ( -1.764 0.000 0.797) 1.936 6.686 ( 2.931 0.000 4.144) 5.075 7.077 ( -0.840 0.000 2.318) 2.465 7.348 ( -1.215 0.000 -0.405) 1.281 7.419 ( 0.090 0.000 0.281) 0.295 7.681 ( 0.407 0.000 -0.158) 0.437 7.941 ( 0.914 0.000 0.140) 0.924 7.944 ( 0.445 0.000 -3.903) 3.929 7.971 ( 1.177 0.000 4.262) 4.422 8.175 ( 0.224 0.000 -0.151) 0.270 8.287 ( 0.392 0.000 -7.371) 7.381 8.420 ( 0.701 0.000 -1.456) 1.616 8.466 ( 2.277 0.000 -14.913) 15.085 8.563 ( 1.904 0.000 -10.094) 10.272 8.866 ( -0.625 0.000 -3.038) 3.102 9.095 ( 2.563 0.000 -6.371) 6.868 9.122 ( 1.290 0.000 -3.523) 3.752 9.301 ( -0.475 0.000 -5.969) 5.988 9.564 ( -4.983 0.000 4.208) 6.523 9.577 ( 0.823 0.000 -3.022) 3.132 9.906 ( -1.318 0.000 1.475) 1.978 9.986 ( -0.373 0.000 8.462) 8.470 10.184 ( 0.385 0.000 4.378) 4.395 10.257 ( 2.627 0.000 0.726) 2.725 10.287 ( -5.793 0.000 8.699) 10.452 10.365 ( 0.928 0.000 -1.235) 1.545 10.807 ( -1.063 0.000 -0.239) 1.089 11.626 ( 0.561 0.000 1.163) 1.291 11.775 ( -0.877 0.000 -1.968) 2.155 11.832 ( 2.059 0.000 2.961) 3.606 12.046 ( 0.949 0.000 -5.715) 5.794 12.203 ( -1.445 0.000 -7.925) 8.055 12.269 ( 3.493 0.000 -14.598) 15.010 12.433 ( 1.934 0.000 -12.077) 12.231 12.496 ( 0.847 0.000 -17.098) 17.119 12.742 ( -0.801 0.000 0.809) 1.139 12.877 ( -0.372 0.000 5.897) 5.909 12.888 ( 2.531 0.000 4.716) 5.352 13.076 ( -1.893 0.000 5.190) 5.525 13.523 ( 5.627 0.000 2.512) 6.162 13.570 ( 2.436 0.000 -2.715) 3.648 13.743 ( -2.194 0.000 5.345) 5.778 13.868 ( -5.135 0.000 3.681) 6.318 14.128 ( 1.840 0.000 -8.378) 8.578 14.236 ( -0.645 0.000 6.685) 6.716 14.239 ( 0.188 0.000 0.630) 0.657 14.389 ( 1.908 0.000 2.308) 2.994 14.580 ( -4.317 0.000 4.261) 6.066 14.610 ( -0.438 0.000 5.865) 5.881 14.726 ( 0.875 0.000 3.203) 3.320 20.499 ( -1.224 0.000 -3.089) 3.323 20.631 ( 0.111 0.000 -3.913) 3.915 20.757 ( 4.593 0.000 1.200) 4.747 20.988 ( -3.317 0.000 -0.295) 3.330 21.002 ( 0.220 0.000 -1.005) 1.029 21.111 ( 1.976 0.000 -1.329) 2.381 21.184 ( 3.332 0.000 -1.612) 3.701 21.193 ( -0.466 0.000 -2.006) 2.059 21.308 ( 5.406 0.000 -5.445) 7.673 21.529 ( -0.704 0.000 -11.205) 11.228 21.622 ( -0.920 0.000 0.367) 0.990 21.656 ( -0.076 0.000 1.132) 1.135 21.768 ( -1.025 0.000 6.581) 6.661 22.155 ( -0.618 0.000 -8.996) 9.017 22.271 ( -1.469 0.000 6.437) 6.602 22.571 ( -0.412 0.000 -5.503) 5.519 22.746 ( -2.709 0.000 10.295) 10.646 22.846 ( 1.830 0.000 6.514) 6.766 22.960 ( -0.767 0.000 5.594) 5.646 22.976 ( -3.332 0.000 1.189) 3.538 23.083 ( -3.840 0.000 7.353) 8.295 23.127 ( -0.138 0.000 3.673) 3.676 23.200 ( 1.120 0.000 0.281) 1.154 23.411 ( -6.104 0.000 1.068) 6.197 23.872 ( -0.555 0.000 0.944) 1.096 23.937 ( 5.267 0.000 0.138) 5.269 23.994 ( -0.514 0.000 2.003) 2.068 24.101 ( 4.493 0.000 0.169) 4.496 24.273 ( -10.236 0.000 4.753) 11.286 24.318 ( -2.545 0.000 3.859) 4.622 24.489 ( 0.258 0.000 -2.807) 2.819 24.938 ( 1.383 0.000 -5.058) 5.244 ======================= Grid point 27 (12/63) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 1.465 0.000 6.357) 6.524 0.662 ( 4.772 0.000 13.970) 14.762 0.797 ( -3.380 0.000 -2.154) 4.008 0.840 ( -11.373 0.000 5.973) 12.846 0.913 ( -0.271 0.000 1.711) 1.732 1.048 ( 1.049 0.000 2.094) 2.342 1.056 ( 0.997 0.000 2.086) 2.312 1.169 ( 0.817 0.000 -0.679) 1.063 1.188 ( 10.607 0.000 0.942) 10.648 1.198 ( -1.579 0.000 3.721) 4.042 1.228 ( 1.856 0.000 5.997) 6.277 1.245 ( -1.288 0.000 8.105) 8.207 1.297 ( -1.285 0.000 10.647) 10.725 1.351 ( -1.285 0.000 3.837) 4.047 1.380 ( -4.524 0.000 2.982) 5.419 1.414 ( 0.428 0.000 3.166) 3.195 1.417 ( -0.808 0.000 1.677) 1.861 1.542 ( -1.693 0.000 5.727) 5.972 1.566 ( -7.714 0.000 1.517) 7.862 1.570 ( -4.497 0.000 1.329) 4.689 1.596 ( 0.421 0.000 11.652) 11.660 1.671 ( 4.718 0.000 2.269) 5.235 1.708 ( -4.828 0.000 15.728) 16.453 1.737 ( -0.370 0.000 3.419) 3.439 1.811 ( 0.557 0.000 -0.673) 0.874 1.878 ( -1.886 0.000 5.814) 6.112 1.928 ( 1.968 0.000 -0.233) 1.982 1.949 ( -2.610 0.000 1.682) 3.105 1.969 ( -2.956 0.000 1.050) 3.137 2.065 ( -6.610 0.000 2.089) 6.932 2.225 ( -0.250 0.000 0.741) 0.781 2.243 ( 4.480 0.000 0.899) 4.569 2.376 ( 0.158 0.000 -0.530) 0.553 2.383 ( 0.981 0.000 0.142) 0.992 2.392 ( -1.353 0.000 3.297) 3.564 2.402 ( 0.705 0.000 -0.286) 0.761 2.553 ( -0.849 0.000 1.801) 1.991 2.618 ( 0.837 0.000 3.193) 3.301 2.656 ( 3.309 0.000 0.891) 3.427 2.805 ( 1.672 0.000 1.403) 2.182 2.905 ( -3.598 0.000 1.414) 3.866 3.043 ( -3.616 0.000 4.637) 5.881 3.072 ( 0.845 0.000 0.773) 1.145 3.142 ( 1.010 0.000 1.685) 1.965 3.363 ( -0.271 0.000 -2.183) 2.200 3.447 ( 0.481 0.000 -7.919) 7.934 3.463 ( 0.259 0.000 -2.123) 2.138 3.641 ( 1.556 0.000 -4.004) 4.295 3.694 ( -2.858 0.000 0.817) 2.973 3.780 ( 0.642 0.000 -9.745) 9.766 3.792 ( 5.775 0.000 -4.220) 7.152 3.814 ( 1.059 0.000 -7.136) 7.214 4.091 ( -0.685 0.000 -1.050) 1.253 4.103 ( 0.480 0.000 -3.593) 3.624 4.152 ( 2.147 0.000 -0.156) 2.153 4.184 ( -0.286 0.000 -7.017) 7.023 4.209 ( 6.518 0.000 -5.673) 8.641 4.251 ( -0.780 0.000 -0.571) 0.967 4.390 ( 2.603 0.000 -3.615) 4.455 4.425 ( 3.508 0.000 -1.137) 3.688 4.503 ( -0.293 0.000 1.238) 1.272 4.709 ( -2.652 0.000 1.807) 3.209 4.750 ( -0.541 0.000 -3.149) 3.195 4.888 ( -2.769 0.000 1.690) 3.244 4.937 ( -2.731 0.000 4.232) 5.037 4.986 ( -4.884 0.000 2.188) 5.352 5.042 ( 4.351 0.000 1.069) 4.480 5.198 ( 0.351 0.000 3.332) 3.351 5.381 ( 0.731 0.000 2.140) 2.261 5.460 ( 4.985 0.000 -0.748) 5.040 5.678 ( -3.224 0.000 4.678) 5.682 5.999 ( 0.473 0.000 1.104) 1.201 6.358 ( -0.144 0.000 0.050) 0.152 6.447 ( 0.931 0.000 -2.513) 2.680 6.520 ( -0.719 0.000 1.329) 1.511 6.772 ( 3.269 0.000 2.185) 3.932 7.072 ( -0.363 0.000 2.359) 2.387 7.334 ( 0.011 0.000 0.191) 0.192 7.421 ( -0.012 0.000 0.551) 0.551 7.682 ( -0.146 0.000 -0.653) 0.669 7.935 ( 0.108 0.000 -4.205) 4.207 7.940 ( -0.929 0.000 2.271) 2.454 8.006 ( 0.791 0.000 2.449) 2.574 8.183 ( 0.551 0.000 -0.082) 0.557 8.278 ( 1.221 0.000 -7.553) 7.651 8.419 ( -0.289 0.000 -1.635) 1.660 8.452 ( 1.901 0.000 -15.713) 15.828 8.562 ( 1.193 0.000 -9.576) 9.650 8.834 ( -1.087 0.000 -3.268) 3.444 9.111 ( -1.091 0.000 -4.508) 4.638 9.121 ( 1.883 0.000 -4.883) 5.233 9.274 ( 0.463 0.000 -5.721) 5.740 9.513 ( -1.442 0.000 5.388) 5.578 9.572 ( 0.353 0.000 -5.241) 5.252 9.888 ( -0.686 0.000 1.364) 1.527 10.008 ( -0.280 0.000 8.426) 8.430 10.193 ( -1.642 0.000 6.342) 6.551 10.259 ( -0.436 0.000 8.258) 8.270 10.301 ( 1.042 0.000 0.377) 1.108 10.376 ( 0.364 0.000 -0.856) 0.931 10.789 ( -0.397 0.000 -1.126) 1.194 11.652 ( 1.826 0.000 -0.750) 1.974 11.755 ( -0.304 0.000 -1.397) 1.430 11.880 ( 0.602 0.000 5.299) 5.333 12.044 ( 1.248 0.000 -7.866) 7.965 12.151 ( -0.245 0.000 -7.257) 7.261 12.295 ( 3.572 0.000 -13.668) 14.127 12.426 ( 1.371 0.000 -11.695) 11.775 12.475 ( 2.957 0.000 -18.980) 19.209 12.739 ( -0.012 0.000 2.564) 2.564 12.878 ( -1.251 0.000 4.172) 4.355 12.945 ( 0.962 0.000 4.234) 4.342 13.041 ( -2.907 0.000 3.514) 4.561 13.623 ( 3.261 0.000 -3.605) 4.861 13.632 ( 3.606 0.000 0.348) 3.622 13.755 ( 2.196 0.000 8.391) 8.674 13.788 ( -3.654 0.000 5.269) 6.412 14.125 ( 0.364 0.000 -5.360) 5.373 14.227 ( -1.181 0.000 1.494) 1.904 14.253 ( 0.716 0.000 -0.373) 0.807 14.440 ( 1.295 0.000 3.724) 3.943 14.493 ( -5.202 0.000 2.910) 5.961 14.616 ( -0.910 0.000 5.652) 5.725 14.755 ( 0.429 0.000 5.432) 5.449 20.489 ( 1.103 0.000 -2.213) 2.473 20.633 ( 1.199 0.000 -3.521) 3.719 20.864 ( 5.398 0.000 1.493) 5.600 20.907 ( -4.640 0.000 -0.424) 4.660 21.017 ( 1.348 0.000 -1.538) 2.045 21.132 ( 0.235 0.000 -0.854) 0.886 21.172 ( -0.318 0.000 -3.508) 3.522 21.233 ( 1.372 0.000 0.676) 1.530 21.368 ( 2.999 0.000 -8.533) 9.045 21.424 ( -2.940 0.000 -13.068) 13.394 21.663 ( 0.221 0.000 1.746) 1.760 21.686 ( 4.368 0.000 4.408) 6.206 21.766 ( -1.414 0.000 6.306) 6.463 22.145 ( 2.617 0.000 -7.640) 8.076 22.240 ( -3.274 0.000 4.588) 5.637 22.471 ( -7.227 0.000 0.785) 7.270 22.801 ( 3.523 0.000 8.595) 9.289 22.880 ( -2.468 0.000 2.534) 3.537 22.917 ( -0.786 0.000 2.653) 2.767 22.949 ( -1.891 0.000 5.796) 6.097 23.015 ( -3.994 0.000 7.772) 8.738 23.136 ( -0.753 0.000 4.399) 4.463 23.216 ( 0.242 0.000 2.665) 2.676 23.313 ( -3.300 0.000 -1.679) 3.703 23.868 ( -0.229 0.000 1.183) 1.205 23.989 ( -0.414 0.000 0.456) 0.616 24.034 ( 2.046 0.000 -3.015) 3.644 24.167 ( -0.806 0.000 3.714) 3.801 24.184 ( 2.247 0.000 1.709) 2.823 24.290 ( -0.762 0.000 3.700) 3.777 24.487 ( 0.560 0.000 -2.856) 2.910 24.937 ( 0.574 0.000 -5.140) 5.172 ======================= Grid point 28 (13/63) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( -12.284 0.000 -0.228) 12.286 0.593 ( -14.184 0.000 3.305) 14.564 0.818 ( 6.832 0.000 6.418) 9.374 0.874 ( 5.398 0.000 2.184) 5.823 0.935 ( 1.319 0.000 1.669) 2.128 1.064 ( -1.576 0.000 0.803) 1.768 1.077 ( 1.239 0.000 1.862) 2.237 1.154 ( -15.374 0.000 7.163) 16.960 1.170 ( -0.956 0.000 9.447) 9.495 1.205 ( 1.502 0.000 2.605) 3.007 1.237 ( -0.611 0.000 7.670) 7.694 1.270 ( -1.375 0.000 3.136) 3.424 1.312 ( 2.248 0.000 -0.454) 2.293 1.378 ( -3.001 0.000 0.127) 3.004 1.391 ( 2.275 0.000 8.612) 8.907 1.402 ( -1.055 0.000 8.233) 8.300 1.447 ( 0.657 0.000 4.910) 4.954 1.451 ( 5.062 0.000 -1.710) 5.343 1.498 ( -1.180 0.000 3.278) 3.484 1.575 ( -0.978 0.000 3.217) 3.362 1.605 ( -5.744 0.000 21.669) 22.417 1.710 ( 2.007 0.000 2.149) 2.941 1.734 ( -1.278 0.000 8.201) 8.300 1.770 ( -0.552 0.000 -1.119) 1.248 1.811 ( 1.964 0.000 2.903) 3.505 1.821 ( 0.525 0.000 0.405) 0.663 1.881 ( -6.171 0.000 3.453) 7.072 1.913 ( -0.677 0.000 0.021) 0.678 1.991 ( -0.154 0.000 1.863) 1.870 2.066 ( 6.685 0.000 -0.619) 6.714 2.211 ( -1.601 0.000 1.113) 1.950 2.280 ( -4.166 0.000 4.099) 5.845 2.309 ( -3.064 0.000 -0.792) 3.165 2.321 ( -0.895 0.000 -3.182) 3.305 2.430 ( 0.775 0.000 2.286) 2.414 2.444 ( -0.286 0.000 2.370) 2.387 2.570 ( 2.046 0.000 4.243) 4.710 2.622 ( -2.009 0.000 0.349) 2.039 2.719 ( 2.662 0.000 0.621) 2.734 2.796 ( -4.216 0.000 4.143) 5.911 2.892 ( 2.415 0.000 1.325) 2.755 2.981 ( -2.125 0.000 1.512) 2.608 3.095 ( 1.049 0.000 1.331) 1.695 3.186 ( 0.900 0.000 4.716) 4.801 3.317 ( -3.202 0.000 -2.390) 3.996 3.461 ( 3.212 0.000 -7.998) 8.619 3.466 ( 0.896 0.000 -3.279) 3.399 3.638 ( -0.406 0.000 -4.557) 4.575 3.643 ( -2.373 0.000 -3.857) 4.528 3.742 ( -3.917 0.000 -5.999) 7.165 3.763 ( 1.859 0.000 -9.461) 9.642 3.877 ( 1.677 0.000 -5.098) 5.367 4.056 ( -3.146 0.000 -2.414) 3.966 4.068 ( -0.586 0.000 -2.990) 3.047 4.127 ( -2.612 0.000 -4.676) 5.356 4.145 ( -1.460 0.000 1.302) 1.956 4.291 ( 3.282 0.000 0.150) 3.285 4.314 ( 4.596 0.000 -5.686) 7.312 4.383 ( -1.203 0.000 -1.667) 2.056 4.498 ( 2.377 0.000 2.330) 3.328 4.556 ( 4.175 0.000 1.110) 4.320 4.674 ( -0.711 0.000 -2.656) 2.750 4.712 ( -1.437 0.000 -3.078) 3.397 4.890 ( 1.618 0.000 2.217) 2.745 4.896 ( -1.876 0.000 4.092) 4.501 4.960 ( 1.981 0.000 0.477) 2.038 5.127 ( 3.304 0.000 0.772) 3.393 5.216 ( 0.175 0.000 3.288) 3.293 5.399 ( 0.452 0.000 2.536) 2.576 5.549 ( 3.520 0.000 1.733) 3.923 5.600 ( -5.840 0.000 3.679) 6.903 6.002 ( -0.565 0.000 1.225) 1.349 6.349 ( -0.505 0.000 -0.391) 0.639 6.443 ( -0.445 0.000 -2.503) 2.542 6.526 ( 0.522 0.000 2.149) 2.212 6.786 ( -2.930 0.000 2.789) 4.045 7.079 ( 0.196 0.000 2.622) 2.629 7.350 ( 1.298 0.000 0.696) 1.473 7.420 ( -0.289 0.000 0.718) 0.774 7.675 ( -0.182 0.000 -1.285) 1.298 7.926 ( 0.575 0.000 -4.387) 4.424 7.928 ( -0.934 0.000 2.866) 3.014 8.014 ( -0.603 0.000 0.792) 0.995 8.192 ( 0.277 0.000 -0.418) 0.502 8.285 ( 1.902 0.000 -7.057) 7.309 8.407 ( -0.157 0.000 -1.677) 1.684 8.442 ( 2.315 0.000 -15.929) 16.096 8.554 ( 1.461 0.000 -9.264) 9.379 8.801 ( -1.191 0.000 -3.997) 4.171 9.077 ( 0.038 0.000 -5.996) 5.996 9.132 ( 0.715 0.000 -4.342) 4.400 9.282 ( 1.740 0.000 -4.736) 5.046 9.539 ( 1.895 0.000 5.890) 6.188 9.569 ( 1.209 0.000 -4.855) 5.004 9.893 ( 0.674 0.000 1.317) 1.479 10.035 ( 0.021 0.000 8.391) 8.391 10.163 ( -3.271 0.000 5.965) 6.803 10.293 ( -1.770 0.000 0.290) 1.793 10.293 ( 0.541 0.000 8.498) 8.516 10.372 ( -0.366 0.000 -0.980) 1.047 10.789 ( 0.820 0.000 -0.995) 1.289 11.694 ( 2.613 0.000 -1.057) 2.819 11.758 ( 1.035 0.000 -1.519) 1.838 11.876 ( -2.149 0.000 3.101) 3.773 12.043 ( 1.222 0.000 -7.427) 7.527 12.162 ( 3.060 0.000 -5.364) 6.175 12.308 ( 1.997 0.000 -12.941) 13.095 12.415 ( 1.889 0.000 -12.538) 12.680 12.490 ( 4.609 0.000 -15.513) 16.184 12.757 ( 0.659 0.000 3.658) 3.717 12.858 ( -1.748 0.000 2.607) 3.139 12.903 ( -4.744 0.000 -4.571) 6.588 13.033 ( 0.067 0.000 8.277) 8.278 13.628 ( -1.633 0.000 -3.378) 3.752 13.661 ( 0.269 0.000 -0.663) 0.715 13.807 ( 3.727 0.000 5.433) 6.588 13.902 ( 8.019 0.000 13.990) 16.126 14.107 ( -0.982 0.000 -2.265) 2.469 14.208 ( -0.777 0.000 -0.392) 0.870 14.238 ( -2.155 0.000 -4.332) 4.838 14.407 ( -4.201 0.000 4.293) 6.006 14.452 ( -0.877 0.000 1.210) 1.494 14.611 ( -1.662 0.000 6.671) 6.875 14.773 ( -0.610 0.000 5.406) 5.441 20.522 ( 2.539 0.000 -0.655) 2.622 20.651 ( 1.451 0.000 -1.926) 2.411 20.799 ( -5.481 0.000 -1.400) 5.657 20.973 ( 4.182 0.000 2.608) 4.929 21.038 ( 1.091 0.000 -1.108) 1.555 21.112 ( -1.103 0.000 -3.194) 3.379 21.166 ( 0.659 0.000 -2.674) 2.753 21.209 ( -3.344 0.000 -3.119) 4.573 21.339 ( 0.571 0.000 -13.789) 13.801 21.430 ( 4.045 0.000 -4.187) 5.822 21.672 ( -0.272 0.000 3.464) 3.474 21.757 ( -1.195 0.000 4.600) 4.753 21.788 ( 3.911 0.000 4.005) 5.598 22.167 ( -5.849 0.000 3.630) 6.884 22.198 ( 4.423 0.000 -6.174) 7.594 22.345 ( -4.292 0.000 0.182) 4.296 22.795 ( -4.314 0.000 1.364) 4.524 22.871 ( -0.707 0.000 7.110) 7.145 22.961 ( 2.806 0.000 3.859) 4.772 22.964 ( 2.052 0.000 8.773) 9.010 22.993 ( -0.716 0.000 6.250) 6.291 23.124 ( -1.834 0.000 3.847) 4.262 23.241 ( 1.546 0.000 3.218) 3.570 23.250 ( -2.674 0.000 -3.587) 4.474 23.868 ( -0.143 0.000 1.098) 1.107 23.971 ( -4.556 0.000 -2.090) 5.012 23.978 ( -0.870 0.000 0.271) 0.911 24.179 ( -2.334 0.000 1.004) 2.541 24.270 ( 7.199 0.000 3.295) 7.918 24.324 ( 1.482 0.000 5.242) 5.447 24.494 ( 1.046 0.000 -1.921) 2.188 24.930 ( 0.501 0.000 -5.905) 5.926 ======================= Grid point 29 (14/63) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.244 ( -9.962 0.000 4.645) 10.992 0.287 ( -17.173 0.000 -3.626) 17.551 0.819 ( -17.438 0.000 21.232) 27.475 0.917 ( 0.784 0.000 1.116) 1.364 0.933 ( -0.125 0.000 1.081) 1.088 1.010 ( 4.842 0.000 -0.091) 4.842 1.037 ( -0.708 0.000 2.628) 2.722 1.117 ( 1.715 0.000 1.819) 2.500 1.151 ( -5.421 0.000 13.207) 14.276 1.246 ( 2.083 0.000 3.035) 3.681 1.257 ( -0.596 0.000 6.015) 6.045 1.299 ( 2.782 0.000 3.409) 4.400 1.345 ( 0.450 0.000 0.923) 1.027 1.380 ( 1.507 0.000 -1.074) 1.850 1.427 ( 1.568 0.000 -4.736) 4.989 1.438 ( 1.978 0.000 7.125) 7.395 1.470 ( -2.657 0.000 6.429) 6.957 1.500 ( 0.180 0.000 11.737) 11.738 1.537 ( 0.633 0.000 5.943) 5.977 1.539 ( -3.549 0.000 4.287) 5.566 1.568 ( -2.246 0.000 17.996) 18.136 1.705 ( -2.488 0.000 4.988) 5.575 1.736 ( -0.126 0.000 -0.020) 0.128 1.768 ( -2.229 0.000 1.100) 2.486 1.796 ( 1.916 0.000 3.051) 3.603 1.868 ( 4.981 0.000 1.725) 5.271 1.872 ( 0.047 0.000 1.003) 1.004 1.936 ( 2.539 0.000 0.248) 2.551 2.047 ( 4.509 0.000 0.445) 4.531 2.138 ( -8.014 0.000 -3.747) 8.847 2.157 ( 2.797 0.000 -0.725) 2.889 2.163 ( -5.021 0.000 3.456) 6.096 2.272 ( -0.238 0.000 -1.477) 1.496 2.302 ( -1.532 0.000 4.307) 4.571 2.414 ( -3.254 0.000 0.727) 3.334 2.466 ( 1.021 0.000 2.434) 2.639 2.506 ( -3.776 0.000 1.432) 4.039 2.678 ( 2.324 0.000 3.928) 4.564 2.687 ( -7.050 0.000 4.156) 8.184 2.768 ( 2.072 0.000 1.537) 2.580 2.961 ( 3.491 0.000 -2.259) 4.159 2.974 ( 0.770 0.000 1.869) 2.022 3.122 ( 1.197 0.000 -0.457) 1.282 3.190 ( -1.757 0.000 4.118) 4.478 3.247 ( -2.309 0.000 0.652) 2.400 3.457 ( -3.146 0.000 -11.404) 11.830 3.473 ( 0.868 0.000 -3.264) 3.377 3.584 ( -0.359 0.000 -4.416) 4.431 3.601 ( -2.505 0.000 -5.609) 6.143 3.644 ( -2.211 0.000 -5.647) 6.065 3.825 ( 6.711 0.000 -5.066) 8.409 3.826 ( -3.663 0.000 -1.477) 3.949 3.971 ( -3.797 0.000 -5.430) 6.626 4.063 ( -2.526 0.000 -3.184) 4.064 4.080 ( 1.949 0.000 -3.492) 3.999 4.132 ( -0.261 0.000 0.621) 0.673 4.328 ( -0.033 0.000 1.441) 1.441 4.338 ( -2.635 0.000 -0.940) 2.797 4.361 ( 1.239 0.000 -5.191) 5.337 4.489 ( -3.568 0.000 -0.496) 3.602 4.635 ( -1.045 0.000 -3.593) 3.742 4.657 ( 3.021 0.000 1.918) 3.578 4.696 ( 1.368 0.000 -5.242) 5.418 4.916 ( 2.543 0.000 2.518) 3.579 4.944 ( 2.638 0.000 1.594) 3.082 5.041 ( 4.971 0.000 0.667) 5.016 5.148 ( -2.443 0.000 -1.958) 3.131 5.218 ( -1.213 0.000 3.614) 3.813 5.419 ( 0.601 0.000 1.634) 1.742 5.478 ( -6.965 0.000 3.975) 8.020 5.618 ( 2.534 0.000 2.158) 3.328 5.984 ( -1.564 0.000 0.999) 1.856 6.344 ( 0.233 0.000 0.121) 0.263 6.413 ( -1.313 0.000 -3.848) 4.066 6.546 ( 0.601 0.000 2.716) 2.782 6.707 ( -4.944 0.000 4.925) 6.979 7.094 ( 0.299 0.000 2.447) 2.465 7.377 ( 0.783 0.000 0.512) 0.935 7.416 ( -0.294 0.000 0.477) 0.560 7.670 ( 0.128 0.000 -1.043) 1.051 7.927 ( -0.153 0.000 3.429) 3.432 7.929 ( 1.168 0.000 -4.233) 4.391 7.976 ( -3.367 0.000 -2.334) 4.097 8.188 ( -0.404 0.000 -0.734) 0.838 8.301 ( 1.888 0.000 -6.641) 6.904 8.401 ( 0.081 0.000 -1.364) 1.366 8.431 ( 1.884 0.000 -14.734) 14.854 8.568 ( 2.884 0.000 -9.318) 9.754 8.763 ( -0.738 0.000 -2.494) 2.601 9.076 ( 1.728 0.000 -5.839) 6.089 9.118 ( -0.538 0.000 -4.883) 4.913 9.302 ( 1.732 0.000 -4.603) 4.918 9.582 ( 0.986 0.000 -3.027) 3.183 9.611 ( 2.671 0.000 5.363) 5.992 9.913 ( 0.558 0.000 1.247) 1.366 10.040 ( -3.646 0.000 9.411) 10.093 10.132 ( -0.122 0.000 2.931) 2.934 10.244 ( -2.571 0.000 0.161) 2.577 10.342 ( 1.853 0.000 8.360) 8.563 10.359 ( -0.394 0.000 -1.350) 1.406 10.813 ( 1.468 0.000 0.091) 1.471 11.735 ( 1.399 0.000 -3.255) 3.542 11.779 ( 1.487 0.000 -2.253) 2.700 11.837 ( -2.084 0.000 0.858) 2.253 12.044 ( 0.901 0.000 -4.962) 5.043 12.205 ( 2.822 0.000 -7.395) 7.915 12.287 ( 0.737 0.000 -13.511) 13.531 12.420 ( 2.778 0.000 -13.280) 13.568 12.567 ( 6.706 0.000 -6.669) 9.458 12.779 ( -4.454 0.000 -8.181) 9.315 12.779 ( 0.056 0.000 1.591) 1.591 12.837 ( -0.958 0.000 4.301) 4.407 13.070 ( 0.653 0.000 8.710) 8.734 13.578 ( -1.750 0.000 -2.400) 2.970 13.645 ( -1.962 0.000 -2.405) 3.104 13.920 ( 4.830 0.000 3.519) 5.976 14.054 ( -6.271 0.000 -3.165) 7.024 14.074 ( -1.397 0.000 -0.549) 1.501 14.197 ( -0.382 0.000 0.925) 1.001 14.215 ( 8.708 0.000 9.080) 12.581 14.359 ( -1.579 0.000 6.938) 7.116 14.421 ( -1.961 0.000 -1.310) 2.358 14.600 ( -1.629 0.000 7.452) 7.628 14.765 ( -1.852 0.000 4.055) 4.458 20.573 ( 2.005 0.000 -0.064) 2.006 20.673 ( 0.925 0.000 -0.647) 1.128 20.692 ( -4.181 0.000 -1.187) 4.346 21.036 ( 1.689 0.000 0.697) 1.828 21.050 ( 0.375 0.000 -0.887) 0.963 21.081 ( -0.905 0.000 -2.849) 2.990 21.139 ( -0.952 0.000 -6.270) 6.342 21.179 ( 1.353 0.000 -1.833) 2.278 21.287 ( -2.768 0.000 -11.553) 11.880 21.498 ( 3.046 0.000 -3.979) 5.011 21.671 ( -1.103 0.000 3.860) 4.015 21.754 ( -0.435 0.000 3.943) 3.967 21.827 ( -2.029 0.000 -2.746) 3.415 22.099 ( 1.105 0.000 10.880) 10.936 22.244 ( 1.623 0.000 -7.058) 7.242 22.317 ( 1.561 0.000 -0.858) 1.781 22.750 ( -0.835 0.000 4.176) 4.258 22.859 ( -2.099 0.000 7.419) 7.710 23.017 ( 0.931 0.000 6.429) 6.496 23.030 ( -0.013 0.000 6.114) 6.114 23.050 ( 4.313 0.000 2.395) 4.934 23.091 ( -2.422 0.000 2.766) 3.677 23.171 ( -2.846 0.000 -5.343) 6.054 23.316 ( 4.305 0.000 8.442) 9.476 23.873 ( 0.379 0.000 0.818) 0.902 23.891 ( -2.556 0.000 0.085) 2.557 23.961 ( -0.678 0.000 0.893) 1.121 24.123 ( -3.261 0.000 0.595) 3.314 24.355 ( -0.305 0.000 5.645) 5.654 24.430 ( 6.601 0.000 -1.240) 6.717 24.539 ( 5.383 0.000 4.352) 6.922 24.907 ( -1.024 0.000 -7.618) 7.686 ======================= Grid point 30 (15/63) ======================= q-point: ( 0.00 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -1.897 14.599 3.010) 15.026 0.443 ( 3.053 9.722 9.009) 13.601 0.744 ( -2.785 4.612 14.757) 15.710 0.838 ( -0.730 -3.664 4.299) 5.695 0.911 ( -2.145 -5.196 8.087) 9.849 0.994 ( -0.691 -1.502 2.449) 2.954 1.060 ( -0.956 0.220 1.847) 2.091 1.117 ( 0.186 1.202 1.902) 2.258 1.133 ( -0.566 -1.355 1.980) 2.465 1.196 ( 0.328 -2.389 2.635) 3.572 1.229 ( -3.119 -5.508 0.720) 6.371 1.291 ( -0.573 0.789 4.143) 4.256 1.320 ( -2.533 -1.397 3.502) 4.542 1.403 ( 0.737 -2.006 3.598) 4.185 1.424 ( -0.017 0.688 5.577) 5.619 1.461 ( -0.638 1.348 6.114) 6.293 1.499 ( -1.613 1.264 2.567) 3.284 1.513 ( 0.803 1.112 7.927) 8.045 1.547 ( -5.501 3.676 13.358) 14.907 1.574 ( -0.185 -0.901 3.667) 3.781 1.632 ( 1.045 -3.656 -0.314) 3.815 1.653 ( -2.151 -2.986 12.836) 13.353 1.715 ( -1.931 -6.129 -0.958) 6.497 1.760 ( 2.253 -1.469 -0.352) 2.713 1.781 ( 0.973 -1.582 3.210) 3.709 1.835 ( -2.690 0.971 1.885) 3.425 1.881 ( 4.549 -1.171 3.786) 6.033 1.937 ( 1.136 -1.905 1.373) 2.608 2.001 ( 2.729 -0.073 0.957) 2.893 2.063 ( 0.500 -3.168 3.468) 4.724 2.184 ( -1.576 5.110 2.558) 5.928 2.258 ( -1.132 2.104 0.483) 2.438 2.294 ( 0.025 5.657 1.949) 5.983 2.317 ( -0.750 1.601 0.231) 1.783 2.450 ( -0.998 -1.413 1.435) 2.247 2.520 ( -2.433 4.469 1.265) 5.243 2.572 ( 5.143 4.813 0.252) 7.048 2.650 ( -1.777 4.274 1.872) 4.993 2.733 ( -0.717 -5.320 2.258) 5.824 2.768 ( -1.155 4.845 -3.752) 6.236 2.967 ( 0.957 -9.996 -1.995) 10.238 3.046 ( 2.504 0.847 -2.718) 3.791 3.112 ( -2.023 0.586 -0.454) 2.154 3.167 ( 10.066 -3.169 2.435) 10.830 3.213 ( -1.325 0.597 -1.569) 2.139 3.297 ( 2.804 0.963 2.068) 3.615 3.467 ( 0.396 -1.114 -3.193) 3.405 3.559 ( -0.282 3.813 -5.094) 6.370 3.629 ( 0.560 1.482 -6.524) 6.714 3.724 ( 2.664 0.955 -4.922) 5.677 3.778 ( -1.668 -0.137 -1.838) 2.486 3.815 ( -0.266 -1.135 -1.629) 2.003 3.942 ( -5.536 -0.349 -6.942) 8.886 4.003 ( 2.560 -4.295 -1.483) 5.215 4.078 ( 1.135 1.331 -2.063) 2.705 4.189 ( 0.643 6.527 -1.669) 6.768 4.243 ( -0.577 2.384 1.118) 2.696 4.258 ( -1.218 -4.610 -1.142) 4.903 4.356 ( -1.025 -0.099 -0.973) 1.417 4.383 ( -3.201 -0.934 -1.574) 3.687 4.586 ( 0.108 1.478 -1.977) 2.471 4.713 ( 2.750 -0.350 -0.022) 2.773 4.748 ( 0.951 0.908 -1.309) 1.855 4.874 ( 1.713 -4.221 1.108) 4.688 4.948 ( -3.417 -3.569 3.641) 6.138 5.007 ( -2.154 -3.014 2.259) 4.339 5.099 ( -1.757 -1.768 3.319) 4.151 5.144 ( 0.326 -1.972 4.007) 4.478 5.433 ( 1.100 4.710 -0.273) 4.844 5.510 ( -2.290 4.213 0.439) 4.815 5.699 ( 0.363 3.501 4.142) 5.435 5.924 ( -0.499 -3.877 1.460) 4.173 6.346 ( 0.500 1.425 0.597) 1.624 6.474 ( -1.056 -1.491 1.358) 2.277 6.530 ( 0.787 5.176 -1.406) 5.421 6.702 ( -1.537 2.014 2.570) 3.609 7.071 ( -0.601 -0.200 2.344) 2.428 7.307 ( -1.041 -6.157 0.719) 6.286 7.487 ( -0.172 5.760 -0.779) 5.815 7.659 ( -0.031 -1.246 -0.914) 1.546 7.903 ( 1.223 0.258 0.681) 1.423 7.929 ( -0.262 -0.760 2.022) 2.176 8.040 ( -0.301 4.802 -2.702) 5.518 8.167 ( -0.420 -1.230 -0.063) 1.302 8.331 ( 0.313 1.855 -8.956) 9.151 8.407 ( 3.131 -0.759 -7.100) 7.797 8.450 ( 2.369 1.346 -10.123) 10.483 8.551 ( 0.948 -1.875 -9.146) 9.384 8.814 ( 3.348 0.982 -0.489) 3.523 8.989 ( -0.275 -5.857 -4.783) 7.567 9.134 ( 0.712 2.425 -4.214) 4.914 9.318 ( -0.376 -2.809 -1.042) 3.019 9.532 ( 1.253 0.038 0.080) 1.256 9.658 ( -2.417 -1.319 1.948) 3.373 9.981 ( 2.969 4.365 1.709) 5.549 10.032 ( -1.101 3.783 4.274) 5.812 10.154 ( 0.223 0.503 2.577) 2.635 10.232 ( -0.373 0.797 0.552) 1.039 10.261 ( -1.760 -2.920 5.413) 6.397 10.359 ( -0.812 -2.275 0.873) 2.569 10.863 ( -0.509 4.415 2.238) 4.976 11.441 ( -0.601 -17.227 4.154) 17.731 11.752 ( -1.544 -1.087 -1.669) 2.520 11.764 ( -0.170 -1.838 -1.203) 2.203 12.232 ( -1.670 7.607 -7.503) 10.814 12.258 ( 0.826 3.335 -14.610) 15.009 12.371 ( 4.727 3.844 -12.364) 13.784 12.447 ( 2.930 0.883 -15.891) 16.183 12.542 ( 0.330 -0.194 -4.312) 4.329 12.704 ( 0.570 -1.585 -1.826) 2.484 12.907 ( -0.115 3.061 4.160) 5.166 12.983 ( -0.441 9.656 -4.207) 10.542 13.055 ( -1.756 -4.032 6.045) 7.476 13.402 ( 1.140 -4.666 -0.229) 4.809 13.587 ( -0.605 -2.863 -1.686) 3.377 13.705 ( -4.213 -3.604 4.554) 7.175 13.914 ( 0.268 -4.316 1.781) 4.677 13.992 ( -3.570 -2.464 0.104) 4.339 14.192 ( 3.182 1.704 7.066) 7.934 14.268 ( -0.068 -1.504 5.572) 5.772 14.495 ( -1.585 5.944 -0.385) 6.164 14.559 ( -1.527 3.337 8.394) 9.161 14.619 ( 1.962 -1.210 1.240) 2.617 14.736 ( -1.183 -0.259 2.528) 2.803 20.570 ( -1.101 0.572 -2.327) 2.637 20.607 ( 0.513 -1.883 -1.256) 2.321 20.784 ( -1.422 5.122 -2.513) 5.879 20.959 ( -1.804 -3.291 -2.711) 4.630 21.034 ( -0.006 -0.238 -0.533) 0.584 21.082 ( 1.045 -1.873 -1.697) 2.735 21.188 ( 3.011 3.565 -2.123) 5.127 21.245 ( 3.035 1.391 -0.280) 3.350 21.322 ( -2.513 8.571 -10.180) 13.542 21.543 ( 0.820 0.885 -6.889) 6.994 21.646 ( 0.131 -0.613 1.664) 1.778 21.694 ( -4.849 -1.353 -2.315) 5.541 21.730 ( -0.197 -1.665 4.854) 5.136 21.990 ( -2.703 -11.143 -1.930) 11.628 22.335 ( 5.762 3.968 2.012) 7.279 22.474 ( 7.851 -0.643 -4.444) 9.044 22.767 ( -1.815 1.531 7.673) 8.032 22.901 ( -0.438 -2.329 6.894) 7.290 22.956 ( -3.693 3.940 1.347) 5.565 23.051 ( -2.821 0.237 1.976) 3.452 23.089 ( -0.050 1.147 6.509) 6.609 23.129 ( 1.277 1.156 1.389) 2.212 23.174 ( 1.951 0.166 0.536) 2.030 23.259 ( 0.936 -8.645 11.416) 14.351 23.882 ( 0.356 0.922 0.919) 1.350 23.932 ( -0.895 -0.218 0.156) 0.934 24.015 ( 2.261 1.705 -1.267) 3.102 24.047 ( -1.439 -1.310 -0.309) 1.970 24.382 ( -2.130 3.814 4.017) 5.935 24.523 ( 0.716 1.991 -2.335) 3.150 24.606 ( -6.626 2.014 -3.095) 7.585 24.832 ( 3.004 -4.511 -4.156) 6.829 ======================= Grid point 31 (16/63) ======================= q-point: ( 0.20 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 5.309 3.117 11.172) 12.756 0.575 ( 4.930 3.119 13.422) 14.635 0.801 ( -1.190 -7.601 2.941) 8.237 0.856 ( 1.713 -5.423 2.505) 6.214 0.932 ( 2.403 2.971 9.656) 10.384 0.971 ( -2.424 1.508 0.318) 2.873 1.041 ( -1.236 -1.407 2.355) 3.009 1.082 ( -2.100 -1.025 2.139) 3.168 1.140 ( -0.373 -1.582 3.965) 4.285 1.173 ( -0.953 -1.804 0.381) 2.076 1.246 ( 1.520 -1.522 4.182) 4.703 1.279 ( -0.847 3.483 2.741) 4.512 1.288 ( -1.080 -0.022 3.435) 3.601 1.415 ( -4.526 0.503 4.735) 6.569 1.430 ( 0.318 -4.513 3.519) 5.732 1.439 ( 0.488 2.278 1.823) 2.958 1.471 ( -2.805 1.211 0.912) 3.189 1.489 ( -4.721 4.792 12.546) 14.236 1.554 ( 0.181 -0.076 10.467) 10.468 1.570 ( -0.850 -1.470 5.057) 5.334 1.628 ( -0.804 -2.732 5.472) 6.169 1.677 ( -0.341 -4.289 8.568) 9.588 1.713 ( 2.040 1.509 1.582) 2.991 1.752 ( -4.557 -1.303 2.059) 5.168 1.799 ( 0.019 -0.507 1.792) 1.863 1.812 ( -0.294 -0.573 1.976) 2.079 1.935 ( -1.485 -1.150 3.355) 3.845 1.966 ( 1.605 -3.190 1.917) 4.053 2.030 ( -0.288 -1.962 1.999) 2.816 2.047 ( -3.883 -2.808 4.477) 6.558 2.213 ( 3.844 2.938 2.266) 5.343 2.239 ( -0.581 1.823 -1.147) 2.231 2.277 ( -1.952 3.385 1.587) 4.217 2.321 ( 0.963 1.597 1.267) 2.255 2.465 ( 1.790 1.699 0.793) 2.592 2.477 ( -1.510 1.928 2.854) 3.761 2.579 ( -4.564 -0.513 -1.211) 4.749 2.654 ( 3.131 4.864 -0.774) 5.837 2.707 ( -2.317 -0.152 3.655) 4.330 2.780 ( 1.868 3.215 -0.927) 3.832 2.943 ( -2.209 -6.782 -0.694) 7.167 3.024 ( -1.918 -0.537 1.125) 2.288 3.103 ( 0.755 3.777 0.525) 3.887 3.155 ( -2.573 0.042 1.597) 3.029 3.390 ( 4.269 1.862 1.639) 4.938 3.449 ( 0.585 0.328 -2.392) 2.485 3.483 ( 11.845 -6.917 -4.124) 14.323 3.534 ( -2.117 2.692 -6.958) 7.755 3.597 ( -1.155 -4.053 -2.337) 4.819 3.769 ( 2.997 -2.192 -8.253) 9.050 3.806 ( 3.687 3.817 -1.825) 5.612 3.830 ( 1.831 1.809 -1.855) 3.172 3.938 ( 9.251 -1.452 -12.287) 15.449 4.019 ( 0.446 -5.466 -0.855) 5.551 4.119 ( 1.665 0.668 -0.772) 1.954 4.186 ( -0.267 5.199 -1.773) 5.500 4.223 ( -0.267 -3.685 -1.056) 3.842 4.268 ( 0.860 1.144 -4.311) 4.543 4.343 ( 2.274 -0.325 -3.070) 3.834 4.354 ( 0.168 0.443 -0.730) 0.870 4.572 ( -1.088 2.928 -0.357) 3.144 4.723 ( -3.079 -2.712 4.051) 5.766 4.770 ( 2.739 0.983 -4.830) 5.639 4.900 ( 1.153 -0.412 3.964) 4.149 4.923 ( -1.489 -3.582 -0.943) 3.992 4.989 ( -0.407 -1.496 3.291) 3.638 5.074 ( -1.811 -2.260 3.419) 4.481 5.135 ( -1.416 -2.769 4.661) 5.603 5.425 ( -5.072 5.817 -0.212) 7.721 5.475 ( 2.330 4.634 0.514) 5.212 5.708 ( -0.977 2.095 4.437) 5.003 5.932 ( 0.589 -4.506 1.359) 4.743 6.336 ( -1.209 -0.053 1.475) 1.908 6.457 ( -1.237 -4.098 1.042) 4.405 6.545 ( 1.190 6.462 -1.820) 6.818 6.719 ( 2.374 1.352 1.552) 3.143 7.082 ( 0.726 1.246 2.280) 2.698 7.290 ( -0.669 -5.110 0.263) 5.160 7.476 ( -0.459 4.986 -0.832) 5.076 7.657 ( 0.157 -2.027 -0.857) 2.206 7.928 ( -0.447 -0.506 1.722) 1.850 7.935 ( 1.105 -1.119 -0.453) 1.636 8.029 ( -0.031 4.249 0.069) 4.250 8.162 ( -0.056 -1.441 0.463) 1.514 8.315 ( 0.943 2.495 -8.050) 8.480 8.438 ( 2.051 -0.884 -8.624) 8.909 8.463 ( 2.139 1.377 -10.057) 10.374 8.544 ( 1.699 -1.539 -9.358) 9.634 8.864 ( 0.856 0.263 -1.349) 1.619 8.986 ( 1.977 -5.870 -4.575) 7.700 9.139 ( 1.038 1.738 -3.792) 4.298 9.303 ( -0.556 -2.543 -2.137) 3.368 9.552 ( 0.355 0.530 0.239) 0.681 9.627 ( -0.879 1.780 -0.660) 2.092 9.914 ( -6.176 2.634 2.495) 7.162 10.050 ( -1.172 2.419 5.086) 5.753 10.188 ( 1.094 0.632 2.837) 3.106 10.233 ( -1.706 -2.293 6.318) 6.934 10.278 ( 3.418 1.517 0.754) 3.815 10.352 ( 0.234 -2.003 -0.520) 2.083 10.848 ( -1.312 5.617 2.860) 6.438 11.456 ( 0.263 -15.805 4.321) 16.388 11.719 ( -0.439 -2.225 -0.816) 2.411 11.754 ( -0.708 -2.205 -1.520) 2.770 12.189 ( 0.645 6.632 -9.031) 11.223 12.229 ( 1.323 2.394 -14.236) 14.497 12.409 ( 3.192 2.407 -12.698) 13.313 12.447 ( 2.498 0.148 -16.842) 17.026 12.509 ( -1.249 7.099 -4.761) 8.639 12.734 ( 0.965 -0.515 1.905) 2.196 12.876 ( -2.022 -0.014 1.846) 2.738 12.949 ( -0.953 4.331 2.299) 4.995 13.049 ( -1.307 -0.903 6.403) 6.597 13.458 ( 2.714 -6.289 -2.002) 7.136 13.576 ( 0.303 -3.987 -1.330) 4.214 13.679 ( 0.260 0.497 2.259) 2.328 13.888 ( -3.976 1.098 3.950) 5.711 13.992 ( 3.223 -8.034 -0.119) 8.657 14.259 ( -1.368 1.161 7.204) 7.424 14.277 ( 2.035 2.875 0.154) 3.525 14.503 ( 0.046 2.455 5.006) 5.575 14.514 ( -1.951 5.213 2.174) 5.975 14.681 ( 1.807 -2.393 4.802) 5.661 14.721 ( -1.023 1.520 1.637) 2.457 20.533 ( -1.222 2.176 -3.185) 4.047 20.608 ( 0.391 -1.672 -2.748) 3.240 20.788 ( 2.892 2.475 -0.415) 3.829 20.928 ( -0.668 -3.652 -1.969) 4.202 21.027 ( -0.434 1.192 -0.934) 1.575 21.086 ( 0.133 -1.603 -1.045) 1.918 21.226 ( -0.104 3.527 -2.395) 4.265 21.278 ( 1.910 5.863 -2.293) 6.579 21.329 ( 4.731 1.352 -5.102) 7.088 21.499 ( -2.262 -3.099 -11.975) 12.575 21.616 ( -1.551 0.279 0.168) 1.585 21.678 ( 1.821 1.647 3.044) 3.911 21.745 ( -0.483 -1.956 6.310) 6.624 21.937 ( -1.359 -10.961 -2.626) 11.352 22.397 ( 0.109 5.305 0.066) 5.306 22.559 ( 0.913 -1.630 -5.007) 5.344 22.758 ( -1.272 1.773 9.757) 9.998 22.890 ( -1.674 -1.083 8.152) 8.392 22.939 ( 0.136 2.131 3.221) 3.864 22.990 ( -3.620 0.679 0.964) 3.807 23.075 ( -3.724 -0.551 6.084) 7.155 23.122 ( -1.531 -0.645 5.720) 5.956 23.211 ( 0.928 0.705 1.659) 2.028 23.302 ( -0.313 -5.743 3.715) 6.847 23.894 ( -0.301 1.089 0.838) 1.406 23.930 ( 1.299 -0.592 0.440) 1.494 24.025 ( 0.836 1.151 -0.787) 1.626 24.084 ( 3.511 -1.539 0.579) 3.877 24.315 ( -5.493 3.733 2.808) 7.210 24.398 ( -7.729 3.283 1.907) 8.611 24.549 ( 1.294 6.354 -4.229) 7.742 24.872 ( 1.625 -5.659 -4.568) 7.452 ======================= Grid point 32 (17/63) ======================= q-point: ( 0.40 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 5.487 -0.159 9.839) 11.267 0.703 ( -1.935 -3.569 3.812) 5.569 0.764 ( 0.728 2.895 6.190) 6.872 0.819 ( -2.019 -7.150 3.411) 8.175 0.892 ( -2.597 1.010 1.659) 3.243 0.991 ( -1.264 -0.163 7.446) 7.554 1.046 ( 0.288 -1.819 2.763) 3.320 1.119 ( -0.406 -3.762 2.278) 4.417 1.133 ( 3.017 -3.164 -0.660) 4.421 1.201 ( 1.233 -1.370 3.182) 3.677 1.231 ( -1.586 2.073 3.201) 4.130 1.285 ( -1.532 -1.702 3.575) 4.245 1.330 ( -1.935 -0.565 1.046) 2.271 1.364 ( 4.204 3.940 1.471) 5.947 1.404 ( -2.382 3.318 6.294) 7.503 1.438 ( -2.120 2.040 2.997) 4.199 1.454 ( 0.398 0.289 3.595) 3.629 1.466 ( -1.037 0.439 9.782) 9.847 1.576 ( 0.230 -1.355 5.161) 5.341 1.602 ( -1.546 1.511 8.089) 8.373 1.638 ( -6.945 3.682 8.976) 11.931 1.658 ( 1.151 -1.913 6.024) 6.425 1.689 ( -1.833 -2.910 6.418) 7.281 1.728 ( -0.676 -1.028 2.426) 2.720 1.780 ( -1.915 -0.858 1.517) 2.589 1.833 ( 1.071 -5.999 2.277) 6.505 1.889 ( -4.033 1.480 4.709) 6.374 1.964 ( -1.622 0.415 -0.556) 1.764 1.981 ( -2.917 -3.456 4.003) 6.039 2.015 ( -0.878 1.750 0.852) 2.135 2.232 ( 0.477 -1.333 -1.152) 1.826 2.253 ( -0.928 1.918 1.527) 2.621 2.283 ( 0.102 -2.646 1.704) 3.149 2.367 ( 3.218 -0.639 3.309) 4.660 2.427 ( -3.251 -0.264 -1.717) 3.686 2.493 ( 0.566 4.515 1.501) 4.791 2.564 ( 2.470 -0.192 2.088) 3.241 2.681 ( -0.529 5.313 3.366) 6.312 2.710 ( 2.022 3.773 -1.355) 4.489 2.804 ( 0.294 -2.555 0.895) 2.723 2.875 ( -3.813 -1.265 1.411) 4.258 2.991 ( -2.477 -4.352 1.808) 5.324 3.100 ( -0.951 3.588 1.293) 3.930 3.154 ( 1.146 1.158 2.682) 3.138 3.436 ( 0.803 4.688 -2.152) 5.221 3.453 ( -0.215 1.749 -6.497) 6.732 3.484 ( -0.106 1.046 -3.039) 3.216 3.563 ( 1.465 -2.465 -2.207) 3.619 3.656 ( 3.715 -3.319 -3.870) 6.308 3.785 ( 2.542 -2.578 -7.552) 8.375 3.844 ( 0.436 2.246 -5.088) 5.579 3.860 ( 2.592 2.505 -3.958) 5.353 3.996 ( -1.803 -3.274 0.270) 3.747 4.086 ( 3.618 -2.088 -5.534) 6.934 4.135 ( 1.251 -2.499 -0.393) 2.822 4.185 ( 2.988 1.642 -6.141) 7.024 4.234 ( 0.806 -3.633 -4.055) 5.504 4.262 ( 1.479 4.374 -4.360) 6.351 4.367 ( 0.990 -0.543 -0.671) 1.314 4.411 ( 3.921 -0.721 -0.767) 4.060 4.553 ( -0.578 3.997 1.775) 4.411 4.679 ( -1.984 -1.988 1.687) 3.276 4.784 ( -0.181 0.713 -3.820) 3.890 4.851 ( -3.498 -2.605 -0.583) 4.400 4.925 ( -0.588 1.077 4.639) 4.799 5.023 ( 0.360 0.163 2.161) 2.197 5.033 ( -1.308 0.981 4.462) 4.752 5.159 ( 1.662 -4.261 3.010) 5.475 5.356 ( -1.155 1.983 0.865) 2.452 5.510 ( 1.014 0.237 -0.396) 1.115 5.691 ( -2.136 3.126 5.190) 6.425 5.947 ( 0.300 -4.824 1.576) 5.083 6.316 ( -1.284 -1.598 1.262) 2.407 6.441 ( -0.526 -5.931 2.015) 6.286 6.558 ( 0.606 7.289 -1.856) 7.546 6.780 ( 2.504 -0.766 0.578) 2.681 7.105 ( 0.485 3.122 2.090) 3.788 7.288 ( 0.360 -4.009 0.914) 4.127 7.468 ( -0.019 4.474 -0.606) 4.515 7.657 ( 0.159 -2.390 -1.101) 2.636 7.921 ( -0.660 -0.403 0.966) 1.237 7.937 ( -0.211 -1.116 -1.525) 1.901 8.040 ( 0.421 3.452 2.243) 4.138 8.169 ( 0.472 -1.467 0.509) 1.622 8.312 ( 1.497 2.940 -8.174) 8.814 8.433 ( 1.078 -0.751 -10.295) 10.379 8.465 ( 1.226 2.216 -8.728) 9.089 8.546 ( 1.421 -1.443 -9.249) 9.468 8.851 ( -0.910 1.726 -2.234) 2.966 9.022 ( 2.355 -6.168 -3.506) 7.475 9.138 ( 0.192 2.641 -4.703) 5.397 9.290 ( 0.485 -1.399 -3.166) 3.495 9.553 ( -0.998 3.055 3.911) 5.062 9.610 ( 0.511 3.562 -5.507) 6.579 9.832 ( -2.420 -2.372 3.194) 4.657 10.014 ( -3.697 -2.969 6.940) 8.405 10.208 ( -0.028 2.358 2.758) 3.629 10.236 ( -0.055 -0.779 4.947) 5.008 10.337 ( 1.301 1.050 -0.321) 1.702 10.362 ( 0.872 -1.212 0.635) 1.622 10.839 ( -0.655 6.546 2.914) 7.195 11.466 ( -0.494 -15.650 2.896) 15.923 11.730 ( 1.362 -3.399 0.388) 3.682 11.736 ( -0.380 -3.017 -0.939) 3.182 12.195 ( 2.756 5.602 -9.903) 11.707 12.218 ( 2.139 3.464 -11.551) 12.248 12.420 ( 2.475 0.526 -13.477) 13.712 12.435 ( 2.511 -1.322 -18.624) 18.839 12.475 ( -0.688 12.483 -4.321) 13.228 12.742 ( -0.185 0.587 2.789) 2.856 12.892 ( 1.205 -2.796 6.126) 6.841 12.932 ( -1.448 0.694 0.407) 1.657 13.033 ( -2.215 1.316 5.120) 5.732 13.477 ( 0.206 -11.257 -1.378) 11.342 13.597 ( 2.103 -2.724 -1.744) 3.858 13.709 ( 1.836 -1.883 0.564) 2.690 13.828 ( -3.018 3.222 4.944) 6.629 14.061 ( 2.818 -7.231 2.112) 8.043 14.231 ( -2.348 0.877 3.059) 3.955 14.310 ( 0.581 2.210 -0.665) 2.380 14.449 ( -3.179 3.541 3.058) 5.657 14.560 ( 1.496 7.632 4.063) 8.775 14.707 ( -0.978 2.784 1.770) 3.441 14.720 ( 0.307 -2.815 6.385) 6.985 20.519 ( 0.829 2.381 -2.413) 3.489 20.613 ( 1.145 -1.610 -2.937) 3.540 20.868 ( 3.950 0.128 0.474) 3.980 20.897 ( -2.084 -0.923 -0.018) 2.280 21.024 ( 0.880 0.717 -1.779) 2.110 21.086 ( 0.109 -2.554 -1.058) 2.767 21.200 ( -0.648 2.932 -4.211) 5.171 21.308 ( -0.584 4.107 -0.454) 4.174 21.387 ( 2.918 0.337 -6.072) 6.745 21.421 ( 0.545 1.336 -12.121) 12.207 21.613 ( 0.558 -2.035 1.360) 2.511 21.736 ( 2.199 1.471 5.683) 6.269 21.751 ( -0.583 -1.147 5.135) 5.294 21.926 ( 0.937 -11.222 -1.567) 11.370 22.359 ( -2.829 4.755 -2.020) 5.890 22.487 ( -5.657 0.123 -2.085) 6.030 22.804 ( 1.846 1.100 9.140) 9.389 22.888 ( -2.764 -0.356 5.418) 6.093 22.930 ( -0.965 0.758 2.344) 2.646 22.950 ( -0.277 0.565 3.893) 3.944 23.022 ( -3.153 0.782 6.835) 7.568 23.110 ( -1.694 -1.972 6.488) 6.989 23.224 ( -0.078 0.504 1.779) 1.851 23.281 ( -1.647 -2.341 -1.183) 3.097 23.887 ( -0.338 1.332 0.811) 1.596 23.954 ( 0.326 -2.040 0.467) 2.118 24.058 ( 1.348 1.570 -1.466) 2.536 24.148 ( 1.594 -2.253 2.188) 3.522 24.236 ( -1.375 4.523 2.295) 5.255 24.321 ( -1.400 1.628 2.858) 3.575 24.560 ( 1.087 6.423 -3.691) 7.487 24.876 ( 0.681 -5.436 -4.888) 7.342 ======================= Grid point 33 (18/63) ======================= q-point: (-0.40 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( -10.836 4.599 0.997) 11.813 0.711 ( -6.345 4.098 6.318) 9.847 0.794 ( 2.482 -2.658 5.602) 6.679 0.873 ( 5.896 -4.430 1.479) 7.522 0.893 ( 0.162 0.954 3.155) 3.300 1.006 ( 1.728 0.072 4.662) 4.972 1.069 ( 0.503 -2.984 5.934) 6.661 1.116 ( -1.763 -1.441 1.761) 2.878 1.169 ( -1.744 -3.481 2.637) 4.702 1.225 ( 0.167 -1.318 1.312) 1.867 1.240 ( 0.067 -1.200 7.674) 7.768 1.255 ( 1.653 -0.068 0.695) 1.794 1.289 ( -5.431 1.247 2.134) 5.967 1.363 ( -2.661 1.861 1.989) 3.808 1.397 ( -1.699 3.273 8.348) 9.127 1.448 ( -0.916 0.609 7.644) 7.723 1.471 ( -1.164 1.900 3.989) 4.569 1.481 ( 0.175 3.019 1.883) 3.563 1.529 ( 1.506 3.092 5.334) 6.347 1.591 ( -0.449 -1.662 2.480) 3.019 1.615 ( -3.932 0.009 19.784) 20.171 1.667 ( -2.024 -1.042 5.546) 5.995 1.698 ( 0.370 -4.852 3.748) 6.142 1.727 ( 0.321 -1.788 1.183) 2.168 1.764 ( -1.318 -3.489 2.339) 4.403 1.825 ( 0.989 -0.426 0.521) 1.196 1.884 ( -2.005 -0.419 2.606) 3.315 1.913 ( 0.423 -0.756 0.705) 1.117 1.952 ( -0.654 -1.213 0.704) 1.548 2.019 ( -1.171 -3.288 -0.279) 3.501 2.222 ( -1.299 1.061 1.371) 2.166 2.253 ( -0.204 -0.114 -0.307) 0.386 2.272 ( 0.423 0.004 1.183) 1.257 2.325 ( -2.735 -0.361 1.327) 3.061 2.480 ( 1.548 3.269 2.223) 4.246 2.522 ( 1.514 1.645 2.170) 3.116 2.594 ( 0.026 -2.093 1.827) 2.778 2.666 ( -3.264 5.678 2.972) 7.192 2.732 ( 2.296 3.071 -0.763) 3.910 2.813 ( -0.708 -1.312 3.169) 3.502 2.858 ( 2.044 0.612 0.338) 2.160 2.941 ( -1.737 -5.517 -0.372) 5.796 3.097 ( 0.071 1.130 0.600) 1.281 3.165 ( -1.238 -0.849 3.953) 4.229 3.399 ( -3.027 4.379 -2.970) 6.096 3.439 ( -0.357 -0.256 -6.675) 6.689 3.477 ( 0.915 -0.802 -5.048) 5.193 3.588 ( 0.247 2.494 -2.431) 3.491 3.634 ( -1.466 -0.828 -2.917) 3.368 3.795 ( -2.923 3.222 -5.967) 7.385 3.838 ( 3.764 0.097 -7.848) 8.704 3.874 ( -0.276 -1.914 -2.484) 3.148 3.951 ( -1.815 -1.577 -2.173) 3.240 4.089 ( -0.806 0.960 -4.211) 4.394 4.128 ( -0.631 -2.165 0.285) 2.273 4.214 ( -0.243 3.512 -4.906) 6.039 4.260 ( 3.355 -4.063 -5.438) 7.572 4.298 ( 1.743 2.109 -0.781) 2.846 4.368 ( -0.321 -1.232 -0.455) 1.352 4.472 ( 1.627 -2.033 0.902) 2.756 4.579 ( 2.345 2.603 2.958) 4.585 4.646 ( -1.900 -1.848 -0.726) 2.748 4.741 ( -1.480 1.140 -3.514) 3.979 4.818 ( -0.159 -4.057 -0.859) 4.150 4.952 ( 1.748 3.736 3.602) 5.476 4.987 ( -0.549 2.279 2.599) 3.499 5.078 ( 0.844 -2.548 3.565) 4.462 5.184 ( -0.569 -3.917 3.273) 5.136 5.381 ( 2.422 0.593 1.711) 3.024 5.513 ( -0.272 -4.931 -1.337) 5.116 5.669 ( -1.526 6.547 5.609) 8.755 5.951 ( -0.515 -4.669 1.776) 5.022 6.300 ( -0.391 -1.364 0.836) 1.647 6.454 ( 0.830 -5.593 2.736) 6.281 6.555 ( -0.355 7.413 -1.922) 7.667 6.797 ( -1.199 -0.995 1.063) 1.887 7.104 ( -1.136 2.934 2.077) 3.770 7.307 ( 0.799 -4.331 1.794) 4.756 7.471 ( 0.517 5.032 -0.463) 5.080 7.657 ( 0.276 -1.871 -1.273) 2.280 7.909 ( -0.623 -0.301 -0.020) 0.692 7.928 ( -0.211 -0.852 -0.503) 1.012 8.051 ( 0.028 3.391 1.551) 3.730 8.178 ( 0.214 -1.448 0.219) 1.480 8.321 ( 2.152 2.889 -8.254) 9.006 8.420 ( 1.007 -0.413 -9.990) 10.049 8.455 ( 0.956 2.028 -9.298) 9.564 8.541 ( 1.425 -1.313 -8.951) 9.159 8.822 ( -1.218 2.260 -2.778) 3.783 9.035 ( -0.086 -6.198 -3.000) 6.886 9.129 ( 1.071 3.854 -5.820) 7.062 9.302 ( 1.473 -0.857 -2.818) 3.293 9.534 ( -1.445 2.406 1.644) 3.253 9.638 ( 3.406 3.751 -2.501) 5.651 9.835 ( 1.168 -3.844 2.840) 4.921 9.973 ( -2.142 -5.793 6.745) 9.146 10.203 ( -1.321 3.396 2.515) 4.427 10.253 ( -0.045 -0.885 4.332) 4.422 10.332 ( -1.251 0.048 -0.726) 1.447 10.375 ( -0.360 0.180 1.981) 2.022 10.839 ( -0.228 6.327 2.702) 6.884 11.460 ( -0.812 -16.854 1.853) 16.975 11.735 ( 0.485 -2.573 -0.915) 2.774 11.765 ( 1.661 -3.316 0.951) 3.828 12.216 ( 3.315 5.874 -11.971) 13.741 12.247 ( 3.296 4.956 -6.900) 9.113 12.404 ( -0.458 2.649 -10.475) 10.814 12.428 ( 3.154 -0.493 -17.768) 18.053 12.468 ( 2.620 7.299 -8.528) 11.527 12.754 ( 0.153 -0.077 2.695) 2.700 12.894 ( -1.955 -0.674 -0.670) 2.174 12.933 ( 0.613 2.271 5.243) 5.747 13.011 ( -1.231 1.070 5.582) 5.816 13.468 ( -0.606 -12.350 -1.793) 12.494 13.622 ( 0.534 -2.770 -2.522) 3.784 13.745 ( 1.336 -6.344 1.538) 6.663 13.826 ( 1.203 2.653 6.371) 7.006 14.111 ( 1.154 -5.218 3.523) 6.401 14.185 ( -3.240 -0.786 1.081) 3.505 14.283 ( -2.698 -2.937 -0.534) 4.023 14.432 ( 0.708 10.563 3.066) 11.022 14.578 ( -0.927 7.396 3.154) 8.094 14.686 ( -2.195 3.537 3.658) 5.541 14.741 ( -0.192 -3.142 5.418) 6.266 20.544 ( 2.019 1.711 -1.225) 2.917 20.628 ( 0.825 -1.853 -1.879) 2.765 20.829 ( -2.883 2.487 -0.817) 3.894 20.948 ( 2.391 -2.168 1.342) 3.495 21.048 ( 1.629 0.562 -0.727) 1.870 21.079 ( -0.291 -1.651 -1.885) 2.523 21.182 ( 0.226 1.786 -4.118) 4.494 21.239 ( -3.342 1.311 -5.449) 6.526 21.421 ( 1.682 5.252 -10.311) 11.693 21.448 ( 4.731 2.799 -3.200) 6.361 21.633 ( 0.580 -2.902 1.891) 3.512 21.742 ( -1.444 -1.736 4.515) 5.048 21.809 ( 2.317 0.977 4.879) 5.489 21.951 ( 1.140 -10.581 1.577) 10.758 22.291 ( -2.791 2.689 -4.357) 5.832 22.376 ( -3.465 1.137 -2.619) 4.489 22.805 ( -3.280 1.498 4.083) 5.447 22.876 ( -0.370 0.149 7.540) 7.551 22.965 ( 2.437 -0.022 3.172) 4.000 22.968 ( 0.831 -0.566 5.141) 5.239 23.009 ( -0.274 2.046 7.333) 7.618 23.100 ( -1.571 -1.843 6.046) 6.513 23.225 ( -0.312 -0.954 2.254) 2.468 23.237 ( -2.090 -1.042 -3.291) 4.036 23.885 ( -0.101 1.143 0.580) 1.286 23.949 ( -0.688 -1.638 0.378) 1.816 24.030 ( -2.460 3.524 -1.260) 4.479 24.147 ( -2.053 -2.312 1.442) 3.412 24.290 ( 4.237 2.557 3.323) 5.961 24.359 ( 3.698 1.621 4.284) 5.887 24.569 ( 1.048 6.300 -3.126) 7.111 24.871 ( 0.474 -5.251 -5.465) 7.594 ======================= Grid point 34 (19/63) ======================= q-point: (-0.20 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( -2.956 13.134 4.273) 14.125 0.558 ( -8.993 11.742 2.625) 15.021 0.812 ( -1.427 -5.581 1.324) 5.910 0.903 ( -4.662 -2.645 7.297) 9.054 0.936 ( -9.084 5.368 8.713) 13.684 0.992 ( 2.164 -1.419 0.943) 2.754 1.042 ( -0.156 -1.176 5.713) 5.835 1.113 ( 1.097 1.138 5.403) 5.630 1.132 ( -1.949 -1.487 2.389) 3.423 1.187 ( -0.693 -0.552 3.948) 4.046 1.250 ( 0.629 -2.999 1.295) 3.327 1.286 ( -0.183 -2.381 2.380) 3.372 1.323 ( 2.155 -3.630 6.432) 7.694 1.362 ( 0.735 2.623 2.670) 3.814 1.419 ( -0.697 0.677 10.868) 10.912 1.439 ( 0.054 -0.057 2.191) 2.192 1.480 ( -0.092 4.274 2.260) 4.835 1.513 ( 0.561 -1.277 2.251) 2.649 1.556 ( -0.991 -0.336 7.614) 7.685 1.583 ( -0.288 1.249 9.216) 9.304 1.619 ( -3.334 3.089 13.602) 14.342 1.652 ( -0.000 -2.173 4.897) 5.358 1.720 ( 0.658 -4.411 1.760) 4.794 1.727 ( 0.038 -7.290 0.114) 7.291 1.758 ( 0.654 -1.982 0.793) 2.233 1.846 ( -1.164 -0.572 2.092) 2.461 1.863 ( 0.929 2.145 0.915) 2.510 1.927 ( -3.038 -5.518 -0.529) 6.321 1.945 ( 1.905 -0.655 -1.328) 2.413 2.017 ( 3.395 -3.702 2.049) 5.425 2.201 ( -1.507 4.532 3.163) 5.729 2.261 ( 0.704 2.412 0.559) 2.574 2.287 ( 0.457 4.222 0.311) 4.258 2.313 ( 0.306 0.364 1.809) 1.870 2.489 ( 0.213 4.842 1.636) 5.115 2.499 ( -3.885 0.031 2.056) 4.396 2.571 ( -1.338 4.176 2.005) 4.822 2.674 ( -0.332 1.041 1.783) 2.091 2.729 ( -0.966 -2.697 2.052) 3.524 2.808 ( -0.620 4.544 -2.006) 5.005 2.907 ( 2.647 0.537 1.564) 3.121 2.965 ( 3.732 -5.653 -1.102) 6.863 3.103 ( 0.479 -2.382 -0.016) 2.430 3.147 ( -1.355 -1.392 2.693) 3.321 3.310 ( -4.394 2.844 -1.508) 5.447 3.341 ( -6.183 -3.163 -7.421) 10.164 3.473 ( -0.547 -0.481 -3.711) 3.782 3.568 ( 1.554 2.371 -3.816) 4.754 3.643 ( 0.541 0.043 -4.090) 4.126 3.722 ( -1.658 5.014 -4.355) 6.845 3.808 ( -1.826 1.995 -3.008) 4.045 3.872 ( -2.354 -6.604 -3.630) 7.895 3.938 ( 3.311 2.823 -3.671) 5.693 4.054 ( -1.499 1.171 -5.347) 5.675 4.104 ( -1.860 -2.945 -2.041) 4.037 4.193 ( -0.319 4.620 -3.275) 5.672 4.273 ( -0.824 -4.610 -2.413) 5.268 4.287 ( -2.006 0.095 1.449) 2.476 4.369 ( -0.046 0.037 -0.027) 0.065 4.461 ( -2.994 -2.584 -0.209) 3.960 4.597 ( -1.091 -1.374 -1.342) 2.209 4.656 ( 2.991 0.940 1.923) 3.678 4.727 ( 1.238 1.948 -4.002) 4.620 4.832 ( 1.777 -4.456 -0.286) 4.806 4.973 ( 0.070 -1.410 1.349) 1.952 5.045 ( 1.935 1.106 3.478) 4.131 5.081 ( -0.646 -1.570 3.543) 3.929 5.154 ( -3.236 -5.437 4.274) 7.635 5.425 ( 0.992 1.900 -0.825) 2.296 5.512 ( 0.638 -1.180 1.237) 1.824 5.675 ( 0.237 5.994 4.559) 7.534 5.939 ( -1.206 -4.175 1.715) 4.672 6.315 ( 1.521 0.624 0.901) 1.874 6.479 ( 0.326 -4.410 2.864) 5.268 6.534 ( -0.698 7.501 -2.207) 7.850 6.750 ( -3.481 1.105 2.169) 4.248 7.085 ( -1.319 0.756 2.151) 2.634 7.319 ( -0.342 -5.748 1.598) 5.976 7.483 ( 0.673 5.890 -0.536) 5.952 7.659 ( 0.316 -1.252 -1.094) 1.693 7.897 ( -0.464 -0.158 -0.057) 0.494 7.927 ( -0.094 -0.836 1.113) 1.395 8.051 ( -0.095 4.287 -1.324) 4.488 8.176 ( -0.362 -1.265 -0.218) 1.334 8.338 ( 2.340 2.406 -9.261) 9.851 8.400 ( 0.079 -0.484 -7.682) 7.698 8.445 ( 1.435 1.536 -10.036) 10.254 8.549 ( 2.231 -1.875 -9.051) 9.509 8.790 ( -0.644 2.688 -1.829) 3.314 9.013 ( -0.591 -6.028 -4.031) 7.276 9.134 ( 0.963 3.125 -4.967) 5.947 9.319 ( 0.858 -1.510 -2.002) 2.650 9.520 ( -0.206 0.397 0.579) 0.732 9.686 ( 0.434 0.146 0.006) 0.458 9.885 ( 3.336 -0.740 3.650) 5.000 9.995 ( 2.218 -2.371 4.048) 5.189 10.177 ( -2.068 3.405 2.540) 4.724 10.255 ( -1.162 0.199 2.776) 3.016 10.288 ( -2.722 -0.724 1.516) 3.199 10.369 ( -0.758 -0.806 2.214) 2.475 10.851 ( 0.482 4.981 2.455) 5.574 11.449 ( -0.945 -18.192 2.088) 18.336 11.746 ( 0.975 -1.738 -1.109) 2.280 11.787 ( -0.044 -2.586 -0.308) 2.604 12.253 ( 3.202 8.016 -8.479) 12.100 12.275 ( 1.974 4.227 -10.149) 11.170 12.353 ( 0.098 4.323 -12.246) 12.987 12.438 ( 3.324 0.248 -15.998) 16.341 12.511 ( 3.712 0.581 -6.044) 7.116 12.737 ( -1.886 -2.019 -3.131) 4.176 12.881 ( 0.377 3.148 4.226) 5.284 12.959 ( 1.913 10.505 -1.052) 10.729 13.032 ( 0.604 -3.395 8.892) 9.537 13.436 ( -1.901 -11.191 -2.938) 11.726 13.607 ( -0.786 -1.610 -2.023) 2.702 13.760 ( -1.028 -10.344 1.878) 10.563 13.892 ( 1.875 -0.866 6.045) 6.388 14.090 ( -5.220 -3.678 -1.942) 6.675 14.137 ( -0.022 1.820 4.208) 4.585 14.249 ( -0.694 -5.182 5.029) 7.254 14.488 ( 3.402 9.508 4.494) 11.053 14.547 ( -2.748 6.369 0.953) 7.001 14.645 ( -3.198 2.048 4.426) 5.832 14.746 ( -0.824 -1.875 3.981) 4.477 20.575 ( 1.142 0.291 -0.724) 1.383 20.619 ( -1.080 -1.893 -1.693) 2.760 20.800 ( 0.089 5.467 -0.508) 5.491 20.984 ( 1.003 -3.292 -0.152) 3.445 21.042 ( -1.226 -0.332 -2.499) 2.803 21.075 ( 0.137 -1.354 -1.778) 2.239 21.167 ( 0.178 2.760 -4.268) 5.086 21.205 ( 1.313 1.581 -1.960) 2.840 21.401 ( -0.450 6.717 -11.430) 13.265 21.524 ( 3.310 2.507 -4.353) 6.016 21.644 ( -0.156 -2.141 2.306) 3.151 21.724 ( -1.561 -1.980 4.228) 4.923 21.806 ( -3.943 -1.486 -1.575) 4.499 21.999 ( 2.384 -8.922 4.644) 10.337 22.237 ( 0.573 3.395 -3.346) 4.801 22.367 ( 3.321 0.770 -2.502) 4.229 22.773 ( -1.451 2.337 5.405) 6.065 22.886 ( -0.733 0.270 7.241) 7.283 22.998 ( 0.094 -0.424 2.989) 3.021 23.043 ( 3.104 -0.443 3.102) 4.410 23.051 ( 2.371 1.231 6.630) 7.148 23.085 ( -1.652 -0.236 5.512) 5.759 23.178 ( -2.177 0.252 -3.249) 3.919 23.231 ( -0.540 -4.349 6.459) 7.806 23.882 ( -0.386 0.815 0.356) 0.969 23.944 ( -0.156 -1.449 0.981) 1.757 23.991 ( -0.348 4.643 -1.551) 4.907 24.097 ( -3.014 -1.940 0.864) 3.687 24.368 ( 1.893 2.798 4.174) 5.370 24.475 ( 5.251 1.565 1.776) 5.760 24.593 ( 3.039 4.593 -1.098) 5.616 24.851 ( -0.840 -4.876 -6.312) 8.020 ======================= Grid point 35 (20/63) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.568 -7.408 5.002) 8.956 0.617 ( 0.568 7.408 5.002) 8.956 0.688 ( -6.303 -10.251 5.737) 13.331 0.688 ( -6.303 10.251 5.737) 13.331 0.977 ( 0.577 -1.479 1.691) 2.319 0.977 ( 0.577 1.479 1.691) 2.319 1.041 ( -1.402 -0.733 2.236) 2.739 1.041 ( -1.402 0.733 2.236) 2.739 1.146 ( -1.502 -1.977 1.703) 3.011 1.146 ( -1.502 1.977 1.703) 3.011 1.264 ( -0.867 -4.621 5.587) 7.302 1.264 ( -0.867 4.621 5.587) 7.302 1.359 ( 0.098 -5.479 6.073) 8.180 1.359 ( 0.098 5.479 6.073) 8.180 1.405 ( -0.874 -4.057 6.449) 7.669 1.405 ( -0.874 4.057 6.449) 7.669 1.516 ( 0.672 -1.769 0.944) 2.115 1.516 ( 0.672 1.769 0.944) 2.115 1.572 ( -0.537 -2.290 3.248) 4.010 1.572 ( -0.537 2.290 3.248) 4.010 1.627 ( -4.080 -2.966 13.349) 14.270 1.627 ( -4.080 2.966 13.349) 14.270 1.677 ( 1.634 -3.325 1.789) 4.114 1.677 ( 1.634 3.325 1.789) 4.114 1.787 ( 0.873 -1.786 2.489) 3.185 1.787 ( 0.873 1.786 2.489) 3.185 1.944 ( 0.773 -0.205 0.424) 0.905 1.944 ( 0.773 0.205 0.424) 0.905 1.995 ( 1.362 -1.556 3.828) 4.351 1.995 ( 1.362 1.556 3.828) 4.351 2.273 ( -0.923 -1.363 2.019) 2.605 2.273 ( -0.923 1.363 2.019) 2.605 2.375 ( 0.034 -4.114 1.798) 4.490 2.375 ( 0.034 4.114 1.798) 4.490 2.517 ( -1.853 -13.883 0.011) 14.006 2.517 ( -1.853 13.883 0.011) 14.006 2.597 ( -0.204 -2.378 0.225) 2.398 2.597 ( -0.204 2.378 0.225) 2.398 2.761 ( -0.512 -6.227 0.332) 6.256 2.761 ( -0.512 6.227 0.332) 6.256 2.937 ( 1.476 -8.837 -1.594) 9.100 2.937 ( 1.476 8.837 -1.594) 9.100 3.130 ( 3.670 -0.601 1.133) 3.888 3.130 ( 3.670 0.601 1.133) 3.888 3.285 ( 0.502 -2.890 -2.673) 3.969 3.285 ( 0.502 2.890 -2.673) 3.969 3.529 ( -0.131 -5.960 -2.259) 6.375 3.529 ( -0.131 5.960 -2.259) 6.375 3.663 ( 0.298 -4.526 -5.226) 6.920 3.663 ( 0.298 4.526 -5.226) 6.920 3.845 ( 1.140 -6.185 -2.520) 6.775 3.845 ( 1.140 6.185 -2.520) 6.775 3.900 ( -2.082 -4.721 -3.531) 6.252 3.900 ( -2.082 4.721 -3.531) 6.252 4.150 ( 1.182 -4.533 -3.250) 5.701 4.150 ( 1.182 4.533 -3.250) 5.701 4.311 ( -1.484 -3.095 -1.426) 3.717 4.311 ( -1.484 3.095 -1.426) 3.717 4.331 ( -0.562 -4.336 0.193) 4.376 4.331 ( -0.562 4.336 0.193) 4.376 4.652 ( 0.732 -4.486 -0.012) 4.545 4.652 ( 0.732 4.486 -0.012) 4.545 4.796 ( 1.655 -3.547 -2.619) 4.710 4.796 ( 1.655 3.547 -2.619) 4.710 4.928 ( -2.035 -2.875 3.178) 4.744 4.928 ( -2.035 2.875 3.178) 4.744 5.105 ( -1.112 -1.704 4.306) 4.763 5.105 ( -1.112 1.704 4.306) 4.763 5.523 ( 1.271 -2.636 1.272) 3.190 5.523 ( 1.271 2.636 1.272) 3.190 5.810 ( -0.992 -6.140 3.057) 6.931 5.810 ( -0.992 6.140 3.057) 6.931 6.401 ( -0.752 -3.462 2.035) 4.086 6.401 ( -0.752 3.462 2.035) 4.086 6.671 ( -0.121 -5.187 -0.814) 5.252 6.671 ( -0.121 5.187 -0.814) 5.252 7.150 ( -0.688 -7.245 1.834) 7.505 7.150 ( -0.688 7.245 1.834) 7.505 7.603 ( -0.260 -4.289 -1.341) 4.501 7.603 ( -0.260 4.289 -1.341) 4.501 7.913 ( 0.262 -0.696 1.215) 1.425 7.913 ( 0.262 0.696 1.215) 1.425 8.121 ( -0.617 -3.009 -0.342) 3.091 8.121 ( -0.617 3.009 -0.342) 3.091 8.373 ( 1.824 -2.027 -9.895) 10.264 8.373 ( 1.824 2.027 -9.895) 10.264 8.498 ( 1.805 -2.766 -8.677) 9.284 8.498 ( 1.805 2.766 -8.677) 9.284 8.874 ( 0.947 -4.472 -2.207) 5.076 8.874 ( 0.947 4.472 -2.207) 5.076 9.215 ( -0.436 -5.127 -1.231) 5.291 9.215 ( -0.436 5.127 -1.231) 5.291 9.589 ( 0.024 -4.013 0.856) 4.103 9.589 ( 0.024 4.013 0.856) 4.103 10.056 ( 3.544 -1.974 0.859) 4.147 10.056 ( 3.544 1.974 0.859) 4.147 10.198 ( -2.499 -2.581 3.155) 4.782 10.198 ( -2.499 2.581 3.155) 4.782 10.294 ( -0.764 -3.510 0.602) 3.642 10.294 ( -0.764 3.510 0.602) 3.642 11.072 ( -0.263 -15.235 4.625) 15.924 11.072 ( -0.263 15.235 4.625) 15.924 11.743 ( -0.696 -0.158 -1.283) 1.469 11.743 ( -0.696 0.158 -1.283) 1.469 12.303 ( -0.284 -0.486 -12.958) 12.971 12.303 ( -0.284 0.486 -12.958) 12.971 12.423 ( 3.057 -2.015 -12.932) 13.440 12.423 ( 3.057 2.015 -12.932) 13.440 12.631 ( 0.956 -5.764 -0.991) 5.926 12.631 ( 0.956 5.764 -0.991) 5.926 12.964 ( -1.041 -3.310 3.278) 4.773 12.964 ( -1.041 3.310 3.278) 4.773 13.213 ( 0.162 -11.690 -0.835) 11.721 13.213 ( 0.162 11.690 -0.835) 11.721 13.612 ( 0.751 -5.493 -3.842) 6.745 13.612 ( 0.751 5.493 -3.842) 6.745 13.927 ( -2.891 -3.853 5.620) 7.402 13.927 ( -2.891 3.853 5.620) 7.402 14.229 ( 3.036 -1.796 5.919) 6.891 14.229 ( 3.036 1.796 5.919) 6.891 14.569 ( -2.354 -2.710 2.675) 4.477 14.569 ( -2.354 2.710 2.675) 4.477 14.681 ( -0.383 -5.006 3.246) 5.978 14.681 ( -0.383 5.006 3.246) 5.978 20.580 ( -0.133 -0.685 -1.483) 1.639 20.580 ( -0.133 0.685 -1.483) 1.639 20.882 ( -1.965 -4.100 -3.150) 5.531 20.882 ( -1.965 4.100 -3.150) 5.531 21.045 ( 1.027 -1.246 -1.131) 1.971 21.045 ( 1.027 1.246 -1.131) 1.971 21.247 ( 2.865 -1.486 -0.683) 3.299 21.247 ( 2.865 1.486 -0.683) 3.299 21.474 ( -1.770 -5.954 -9.789) 11.594 21.474 ( -1.770 5.954 -9.789) 11.594 21.673 ( -0.939 -1.185 3.340) 3.667 21.673 ( -0.939 1.185 3.340) 3.667 21.782 ( -1.760 -7.674 -1.028) 7.941 21.782 ( -1.760 7.674 -1.028) 7.941 22.422 ( 5.976 -3.800 -1.728) 7.289 22.422 ( 5.976 3.800 -1.728) 7.289 22.828 ( -2.112 -3.600 7.766) 8.817 22.828 ( -2.112 3.600 7.766) 8.817 23.029 ( -1.429 -2.303 2.258) 3.527 23.029 ( -1.429 2.303 2.258) 3.527 23.127 ( -2.615 -2.797 6.405) 7.463 23.127 ( -2.615 2.797 6.405) 7.463 23.169 ( 3.391 -1.260 2.538) 4.419 23.169 ( 3.391 1.260 2.538) 4.419 23.909 ( 0.029 -1.492 1.110) 1.860 23.909 ( 0.029 1.492 1.110) 1.860 24.028 ( -0.236 -0.456 -0.601) 0.790 24.028 ( -0.236 0.456 -0.601) 0.790 24.481 ( -2.259 -4.450 2.019) 5.384 24.481 ( -2.259 4.450 2.019) 5.384 24.713 ( 0.808 -6.317 -4.967) 8.076 24.713 ( 0.808 6.317 -4.967) 8.076 ======================= Grid point 37 (21/63) ======================= q-point: ( 0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -1.844 -12.154 6.029) 13.692 0.618 ( -1.844 12.154 6.029) 13.692 0.658 ( 1.755 -4.893 6.015) 7.950 0.658 ( 1.755 4.893 6.015) 7.950 1.004 ( -2.781 -1.969 5.416) 6.399 1.004 ( -2.781 1.969 5.416) 6.399 1.030 ( 3.152 -2.215 -0.156) 3.856 1.030 ( 3.152 2.215 -0.156) 3.856 1.123 ( -1.995 -1.180 0.818) 2.457 1.123 ( -1.995 1.180 0.818) 2.457 1.275 ( 0.266 -2.815 4.169) 5.038 1.275 ( 0.266 2.815 4.169) 5.038 1.348 ( -1.656 -3.795 2.359) 4.766 1.348 ( -1.656 3.795 2.359) 4.766 1.450 ( 1.180 -4.283 7.598) 8.801 1.450 ( 1.180 4.283 7.598) 8.801 1.506 ( -1.731 -0.708 0.735) 2.009 1.506 ( -1.731 0.708 0.735) 2.009 1.582 ( 0.260 -3.879 5.842) 7.018 1.582 ( 0.260 3.879 5.842) 7.018 1.607 ( -2.010 -2.225 12.701) 13.050 1.607 ( -2.010 2.225 12.701) 13.050 1.696 ( 0.839 -0.448 0.010) 0.951 1.696 ( 0.839 0.448 0.010) 0.951 1.795 ( -2.260 -0.984 4.594) 5.214 1.795 ( -2.260 0.984 4.594) 5.214 1.940 ( -1.679 -3.664 4.873) 6.324 1.940 ( -1.679 3.664 4.873) 6.324 2.012 ( -0.394 -2.246 2.212) 3.177 2.012 ( -0.394 2.246 2.212) 3.177 2.263 ( -0.494 -0.139 0.706) 0.873 2.263 ( -0.494 0.139 0.706) 0.873 2.385 ( -2.192 -2.421 1.102) 3.447 2.385 ( -2.192 2.421 1.102) 3.447 2.457 ( -0.376 -7.509 -0.023) 7.519 2.457 ( -0.376 7.509 -0.023) 7.519 2.600 ( -0.636 -7.073 1.516) 7.262 2.600 ( -0.636 7.073 1.516) 7.262 2.755 ( 0.631 -4.561 0.418) 4.624 2.755 ( 0.631 4.561 0.418) 4.624 2.954 ( -0.483 -6.103 -0.770) 6.170 2.954 ( -0.483 6.103 -0.770) 6.170 3.173 ( -0.265 -1.767 2.119) 2.772 3.173 ( -0.265 1.767 2.119) 2.772 3.383 ( 9.037 -0.739 -3.258) 9.634 3.383 ( 9.037 0.739 -3.258) 9.634 3.503 ( -0.353 -3.898 -1.842) 4.326 3.503 ( -0.353 3.898 -1.842) 4.326 3.663 ( -0.106 -6.753 -5.419) 8.659 3.663 ( -0.106 6.753 -5.419) 8.659 3.867 ( 0.466 -0.853 -4.252) 4.362 3.867 ( 0.466 0.853 -4.252) 4.362 3.926 ( 7.391 -2.728 -3.752) 8.726 3.926 ( 7.391 2.728 -3.752) 8.726 4.137 ( -1.950 -1.980 -1.730) 3.274 4.137 ( -1.950 1.980 -1.730) 3.274 4.289 ( 0.772 -1.587 -4.763) 5.080 4.289 ( 0.772 1.587 -4.763) 5.080 4.345 ( 1.481 -1.445 0.203) 2.079 4.345 ( 1.481 1.445 0.203) 2.079 4.646 ( -1.145 -3.842 0.891) 4.107 4.646 ( -1.145 3.842 0.891) 4.107 4.819 ( 0.671 -4.402 -1.939) 4.857 4.819 ( 0.671 4.402 -1.939) 4.857 4.937 ( 2.388 -3.082 1.482) 4.171 4.937 ( 2.388 3.082 1.482) 4.171 5.077 ( -2.981 -2.287 5.346) 6.534 5.077 ( -2.981 2.287 5.346) 6.534 5.517 ( -2.416 -1.464 1.522) 3.209 5.517 ( -2.416 1.464 1.522) 3.209 5.805 ( -0.355 -6.443 2.767) 7.022 5.805 ( -0.355 6.443 2.767) 7.022 6.367 ( -2.837 -3.157 2.252) 4.805 6.367 ( -2.837 3.157 2.252) 4.805 6.682 ( 1.370 -4.908 -0.981) 5.190 6.682 ( 1.370 4.908 -0.981) 5.190 7.162 ( 1.165 -5.985 1.465) 6.271 7.162 ( 1.165 5.985 1.465) 6.271 7.588 ( -0.549 -4.631 -1.541) 4.912 7.588 ( -0.549 4.631 -1.541) 4.912 7.921 ( 0.020 -0.124 1.007) 1.015 7.921 ( 0.020 0.124 1.007) 1.015 8.112 ( -0.156 -3.245 0.447) 3.279 8.112 ( -0.156 3.245 0.447) 3.279 8.382 ( 2.124 -3.422 -10.083) 10.858 8.382 ( 2.124 3.422 -10.083) 10.858 8.506 ( 1.877 -2.004 -8.599) 9.027 8.506 ( 1.877 2.004 -8.599) 9.027 8.895 ( 1.512 -2.782 -2.027) 3.760 8.895 ( 1.512 2.782 -2.027) 3.760 9.209 ( 0.529 -4.740 -2.477) 5.374 9.209 ( 0.529 4.740 -2.477) 5.374 9.601 ( 0.785 -3.095 0.840) 3.302 9.601 ( 0.785 3.095 0.840) 3.302 10.013 ( -6.700 -4.952 2.841) 8.803 10.013 ( -6.700 4.952 2.841) 8.803 10.213 ( 1.713 -1.130 2.560) 3.281 10.213 ( 1.713 1.130 2.560) 3.281 10.305 ( 1.579 -1.555 -0.244) 2.230 10.305 ( 1.579 1.555 -0.244) 2.230 11.088 ( -0.035 -16.218 5.486) 17.121 11.088 ( -0.035 16.218 5.486) 17.121 11.716 ( -1.207 -1.181 -1.236) 2.093 11.716 ( -1.207 1.181 -1.236) 2.093 12.260 ( 0.937 -0.449 -13.806) 13.845 12.260 ( 0.937 0.449 -13.806) 13.845 12.426 ( 2.025 -0.830 -14.116) 14.284 12.426 ( 2.025 0.830 -14.116) 14.284 12.672 ( 2.324 -5.861 2.654) 6.841 12.672 ( 2.324 5.861 2.654) 6.841 12.924 ( -3.068 -4.003 -0.343) 5.055 12.924 ( -3.068 4.003 -0.343) 5.055 13.204 ( -0.918 -12.909 2.005) 13.096 13.204 ( -0.918 12.909 2.005) 13.096 13.623 ( 1.525 -5.191 -4.360) 6.948 13.623 ( 1.525 5.191 -4.360) 6.948 13.906 ( -1.139 -1.167 5.954) 6.174 13.906 ( -1.139 1.167 5.954) 6.174 14.289 ( 0.462 -1.342 4.214) 4.447 14.289 ( 0.462 1.342 4.214) 4.447 14.564 ( 0.568 -4.084 3.802) 5.608 14.564 ( 0.568 4.084 3.802) 5.608 14.689 ( 0.233 -4.133 2.472) 4.821 14.689 ( 0.233 4.133 2.472) 4.821 20.572 ( 0.002 -1.647 -2.369) 2.885 20.572 ( 0.002 1.647 -2.369) 2.885 20.852 ( 0.491 -3.430 -2.166) 4.086 20.852 ( 0.491 3.430 -2.166) 4.086 21.053 ( -0.061 -1.397 -1.159) 1.816 21.053 ( -0.061 1.397 -1.159) 1.816 21.308 ( 2.261 -2.753 -0.542) 3.604 21.308 ( 2.261 2.753 -0.542) 3.604 21.406 ( -0.412 -5.053 -9.727) 10.969 21.406 ( -0.412 5.053 -9.727) 10.969 21.657 ( -1.518 -3.279 2.446) 4.363 21.657 ( -1.518 3.279 2.446) 4.363 21.768 ( 0.273 -4.902 0.875) 4.987 21.768 ( 0.273 4.902 0.875) 4.987 22.496 ( 1.113 -4.100 -2.984) 5.191 22.496 ( 1.113 4.100 -2.984) 5.191 22.819 ( -0.962 -3.683 9.061) 9.828 22.819 ( -0.962 3.683 9.061) 9.828 22.992 ( -2.602 -1.012 1.113) 3.005 22.992 ( -2.602 1.012 1.113) 3.005 23.087 ( -3.002 -2.028 7.543) 8.368 23.087 ( -3.002 2.028 7.543) 8.368 23.231 ( 1.294 -1.536 2.253) 3.018 23.231 ( 1.294 1.536 2.253) 3.018 23.914 ( 0.067 -0.888 1.010) 1.347 23.914 ( 0.067 0.888 1.010) 1.347 24.048 ( 2.324 -1.456 -0.180) 2.748 24.048 ( 2.324 1.456 -0.180) 2.748 24.393 ( -5.646 -2.796 1.371) 6.448 24.393 ( -5.646 2.796 1.371) 6.448 24.720 ( 1.207 -8.264 -4.563) 9.517 24.720 ( 1.207 8.264 -4.563) 9.517 ======================= Grid point 39 (22/63) ======================= q-point: ( 0.40 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 1.725 -5.411 4.698) 7.370 0.645 ( 1.725 5.411 4.698) 7.370 0.714 ( 1.172 -3.304 5.541) 6.556 0.714 ( 1.172 3.304 5.541) 6.556 0.994 ( 0.263 -4.014 6.877) 7.967 0.994 ( 0.263 4.014 6.877) 7.967 1.055 ( -1.424 -3.320 0.651) 3.671 1.055 ( -1.424 3.320 0.651) 3.671 1.088 ( -0.425 -2.287 1.723) 2.895 1.088 ( -0.425 2.287 1.723) 2.895 1.277 ( -1.453 -1.055 0.905) 2.011 1.277 ( -1.453 1.055 0.905) 2.011 1.351 ( 1.224 -3.360 2.427) 4.322 1.351 ( 1.224 3.360 2.427) 4.322 1.454 ( -1.791 -1.762 6.289) 6.772 1.454 ( -1.791 1.762 6.289) 6.772 1.495 ( 0.286 -4.546 -0.063) 4.556 1.495 ( 0.286 4.546 -0.063) 4.556 1.588 ( -3.006 -5.347 14.319) 15.578 1.588 ( -3.006 5.347 14.319) 15.578 1.628 ( -0.781 -1.046 8.671) 8.768 1.628 ( -0.781 1.046 8.671) 8.768 1.716 ( 0.893 -3.243 0.299) 3.377 1.716 ( 0.893 3.243 0.299) 3.377 1.750 ( -2.685 -2.531 3.072) 4.801 1.750 ( -2.685 2.531 3.072) 4.801 1.927 ( -1.902 -1.123 4.850) 5.329 1.927 ( -1.902 1.123 4.850) 5.329 2.000 ( -1.137 -2.227 0.506) 2.551 2.000 ( -1.137 2.227 0.506) 2.551 2.236 ( -1.993 -1.920 -0.660) 2.845 2.236 ( -1.993 1.920 -0.660) 2.845 2.314 ( -2.221 -3.654 1.685) 4.596 2.314 ( -2.221 3.654 1.685) 4.596 2.518 ( 3.774 -6.331 1.893) 7.610 2.518 ( 3.774 6.331 1.893) 7.610 2.581 ( -1.611 -6.276 2.031) 6.791 2.581 ( -1.611 6.276 2.031) 6.791 2.795 ( 2.839 -2.365 0.642) 3.751 2.795 ( 2.839 2.365 0.642) 3.751 2.902 ( -3.897 -4.216 -1.312) 5.890 2.902 ( -3.897 4.216 -1.312) 5.890 3.163 ( -1.248 -1.504 2.606) 3.257 3.163 ( -1.248 1.504 2.606) 3.257 3.476 ( 0.368 -1.345 -5.739) 5.905 3.476 ( 0.368 1.345 -5.739) 5.905 3.569 ( 6.796 -4.290 -2.376) 8.380 3.569 ( 6.796 4.290 -2.376) 8.380 3.628 ( -1.215 -7.648 -1.581) 7.904 3.628 ( -1.215 7.648 -1.581) 7.904 3.873 ( 1.382 -0.572 -5.422) 5.625 3.873 ( 1.382 0.572 -5.422) 5.625 4.034 ( 1.391 -3.767 -2.954) 4.985 4.034 ( 1.391 3.767 -2.954) 4.985 4.106 ( 2.189 -2.203 -3.261) 4.503 4.106 ( 2.189 2.203 -3.261) 4.503 4.294 ( 1.396 -3.029 -4.813) 5.856 4.294 ( 1.396 3.029 -4.813) 5.856 4.383 ( 1.927 -1.903 -0.168) 2.713 4.383 ( 1.927 1.903 -0.168) 2.713 4.628 ( -0.930 -2.799 1.630) 3.370 4.628 ( -0.930 2.799 1.630) 3.370 4.796 ( -2.049 -2.364 -1.553) 3.493 4.796 ( -2.049 2.364 -1.553) 3.493 5.006 ( 2.583 -4.305 1.347) 5.198 5.006 ( 2.583 4.305 1.347) 5.198 5.050 ( -0.661 -3.301 5.413) 6.374 5.050 ( -0.661 3.301 5.413) 6.374 5.454 ( -3.436 -5.005 0.281) 6.078 5.454 ( -3.436 5.005 0.281) 6.078 5.812 ( -0.025 -7.062 3.206) 7.755 5.812 ( -0.025 7.062 3.206) 7.755 6.328 ( -1.456 -3.311 2.804) 4.576 6.328 ( -1.456 3.311 2.804) 4.576 6.706 ( 1.082 -5.873 -1.105) 6.074 6.706 ( 1.082 5.873 -1.105) 6.074 7.192 ( 0.961 -4.638 1.450) 4.954 7.192 ( 0.961 4.638 1.450) 4.954 7.578 ( 0.164 -4.963 -1.381) 5.154 7.578 ( 0.164 4.963 -1.381) 5.154 7.919 ( -0.377 -0.354 0.435) 0.676 7.919 ( -0.377 0.354 0.435) 0.676 8.118 ( 0.320 -3.284 1.331) 3.558 8.118 ( 0.320 3.284 1.331) 3.558 8.385 ( 1.766 -3.404 -10.421) 11.104 8.385 ( 1.766 3.404 -10.421) 11.104 8.511 ( 1.325 -1.808 -8.524) 8.813 8.511 ( 1.325 1.808 -8.524) 8.813 8.911 ( 0.593 -4.037 -1.637) 4.396 8.911 ( 0.593 4.037 -1.637) 4.396 9.218 ( 1.368 -4.370 -4.057) 6.117 9.218 ( 1.368 4.370 -4.057) 6.117 9.623 ( 1.001 -2.937 0.598) 3.160 9.623 ( 1.001 2.937 0.598) 3.160 9.887 ( -5.951 -6.949 3.605) 9.833 9.887 ( -5.951 6.949 3.605) 9.833 10.243 ( 0.582 -0.508 1.614) 1.790 10.243 ( 0.582 0.508 1.614) 1.790 10.336 ( 1.130 -1.127 0.172) 1.605 10.336 ( 1.130 1.127 0.172) 1.605 11.100 ( -0.828 -16.708 5.554) 17.627 11.100 ( -0.828 16.708 5.554) 17.627 11.701 ( 0.221 -0.786 -0.515) 0.965 11.701 ( 0.221 0.786 -0.515) 0.965 12.254 ( 2.949 -0.707 -12.902) 13.254 12.254 ( 2.949 0.707 -12.902) 13.254 12.416 ( 2.023 -0.168 -14.945) 15.082 12.416 ( 2.023 0.168 -14.945) 15.082 12.717 ( 0.743 -6.442 2.253) 6.865 12.717 ( 0.743 6.442 2.253) 6.865 12.868 ( -1.694 -3.835 0.536) 4.226 12.868 ( -1.694 3.835 0.536) 4.226 13.196 ( -0.816 -12.449 3.064) 12.846 13.196 ( -0.816 12.449 3.064) 12.846 13.636 ( 1.128 -4.443 -4.851) 6.674 13.636 ( 1.128 4.443 -4.851) 6.674 13.916 ( -0.077 -5.304 6.644) 8.502 13.916 ( -0.077 5.304 6.644) 8.502 14.277 ( -2.257 -2.812 1.129) 3.778 14.277 ( -2.257 2.812 1.129) 3.778 14.598 ( 1.065 -6.976 4.609) 8.429 14.598 ( 1.065 6.976 4.609) 8.429 14.703 ( -0.005 -3.776 2.796) 4.698 14.703 ( -0.005 3.776 2.796) 4.698 20.571 ( 0.843 -2.321 -2.544) 3.545 20.571 ( 0.843 2.321 -2.544) 3.545 20.876 ( 1.442 -0.775 -0.021) 1.637 20.876 ( 1.442 0.775 -0.021) 1.637 21.045 ( 0.242 -1.343 -1.582) 2.089 21.045 ( 0.242 1.343 -1.582) 2.089 21.285 ( -2.019 -4.283 -5.680) 7.395 21.285 ( -2.019 4.283 -5.680) 7.395 21.437 ( 4.240 -1.949 -4.313) 6.354 21.437 ( 4.240 1.949 -4.313) 6.354 21.638 ( -0.764 -5.561 1.183) 5.736 21.638 ( -0.764 5.561 1.183) 5.736 21.790 ( 1.033 -2.687 3.582) 4.595 21.790 ( 1.033 2.687 3.582) 4.595 22.446 ( -3.951 -3.528 -3.870) 6.560 22.446 ( -3.951 3.528 -3.870) 6.560 22.850 ( 0.152 -2.637 8.833) 9.219 22.850 ( 0.152 2.637 8.833) 9.219 22.948 ( -1.703 -0.897 1.727) 2.586 22.948 ( -1.703 0.897 1.727) 2.586 23.061 ( -2.075 -2.547 7.286) 7.992 23.061 ( -2.075 2.547 7.286) 7.992 23.240 ( -0.556 -1.283 0.296) 1.429 23.240 ( -0.556 1.283 0.296) 1.429 23.917 ( -0.125 -1.539 0.629) 1.667 23.917 ( -0.125 1.539 0.629) 1.667 24.098 ( 1.615 -2.219 0.642) 2.819 24.098 ( 1.615 2.219 0.642) 2.819 24.316 ( -1.704 -2.294 2.093) 3.542 24.316 ( -1.704 2.294 2.093) 3.542 24.725 ( 0.894 -8.216 -4.460) 9.391 24.725 ( 0.894 8.216 -4.460) 9.391 ======================= Grid point 41 (23/63) ======================= q-point: (-0.40 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -3.535 -7.909 3.378) 9.299 0.634 ( -3.535 7.909 3.378) 9.299 0.789 ( 4.196 -2.228 4.279) 6.393 0.789 ( 4.196 2.228 4.279) 6.393 0.982 ( -5.706 -5.598 5.535) 9.722 0.982 ( -5.706 5.598 5.535) 9.722 1.052 ( 2.640 -2.931 3.571) 5.321 1.052 ( 2.640 2.931 3.571) 5.321 1.137 ( 3.026 -3.924 4.160) 6.470 1.137 ( 3.026 3.924 4.160) 6.470 1.245 ( -1.195 -1.357 0.365) 1.845 1.245 ( -1.195 1.357 0.365) 1.845 1.379 ( 0.609 -5.270 2.354) 5.804 1.379 ( 0.609 5.270 2.354) 5.804 1.454 ( -0.650 -0.628 5.465) 5.539 1.454 ( -0.650 0.628 5.465) 5.539 1.513 ( 0.483 -1.362 1.134) 1.837 1.513 ( 0.483 1.362 1.134) 1.837 1.575 ( -3.230 -4.292 6.398) 8.353 1.575 ( -3.230 4.292 6.398) 8.353 1.591 ( -5.079 -4.222 15.463) 16.814 1.591 ( -5.079 4.222 15.463) 16.814 1.695 ( -2.020 -1.654 2.579) 3.669 1.695 ( -2.020 1.654 2.579) 3.669 1.750 ( 0.470 -4.674 1.316) 4.878 1.750 ( 0.470 4.674 1.316) 4.878 1.889 ( -0.954 -1.002 1.046) 1.734 1.889 ( -0.954 1.002 1.046) 1.734 1.967 ( -2.084 -1.663 -0.082) 2.668 1.967 ( -2.084 1.663 -0.082) 2.668 2.244 ( 2.019 -0.701 0.408) 2.176 2.244 ( 2.019 0.701 0.408) 2.176 2.319 ( 2.005 -2.529 1.998) 3.796 2.319 ( 2.005 2.529 1.998) 3.796 2.538 ( -2.622 -2.577 2.679) 4.549 2.538 ( -2.622 2.577 2.679) 4.549 2.597 ( 2.299 -6.863 1.946) 7.495 2.597 ( 2.299 6.863 1.946) 7.495 2.804 ( -3.792 -0.767 1.174) 4.043 2.804 ( -3.792 0.767 1.174) 4.043 2.872 ( 3.368 -0.031 -2.020) 3.928 2.872 ( 3.368 0.031 -2.020) 3.928 3.138 ( -2.163 -2.341 1.482) 3.515 3.138 ( -2.163 2.341 1.482) 3.515 3.422 ( -2.934 -0.732 -7.517) 8.103 3.422 ( -2.934 0.732 -7.517) 8.103 3.583 ( -2.282 -5.727 0.894) 6.229 3.583 ( -2.282 5.727 0.894) 6.229 3.681 ( 3.486 -6.099 -2.611) 7.495 3.681 ( 3.486 6.099 -2.611) 7.495 3.874 ( 0.486 -2.492 -5.015) 5.621 3.874 ( 0.486 2.492 -5.015) 5.621 4.000 ( -1.677 -6.643 -3.804) 7.837 4.000 ( -1.677 6.643 -3.804) 7.837 4.151 ( 1.528 -4.192 -3.494) 5.667 4.151 ( 1.528 4.192 -3.494) 5.667 4.309 ( 0.983 -4.099 -2.030) 4.679 4.309 ( 0.983 4.099 -2.030) 4.679 4.406 ( 0.206 -4.694 -0.647) 4.743 4.406 ( 0.206 4.694 -0.647) 4.743 4.617 ( -0.711 -0.905 1.843) 2.173 4.617 ( -0.711 0.905 1.843) 2.173 4.759 ( -0.134 -1.973 -2.825) 3.448 4.759 ( -0.134 1.973 -2.825) 3.448 5.035 ( -0.504 -1.595 3.967) 4.305 5.035 ( -0.504 1.595 3.967) 4.305 5.066 ( -0.261 -5.987 3.954) 7.179 5.066 ( -0.261 5.987 3.954) 7.179 5.421 ( 0.917 -3.140 -1.026) 3.428 5.421 ( 0.917 3.140 -1.026) 3.428 5.820 ( -0.477 -7.178 3.634) 8.059 5.820 ( -0.477 7.178 3.634) 8.059 6.335 ( 1.047 -4.518 3.062) 5.558 6.335 ( 1.047 4.518 3.062) 5.558 6.710 ( -0.376 -6.547 -1.032) 6.638 6.710 ( -0.376 6.547 -1.032) 6.638 7.199 ( -0.909 -5.297 1.796) 5.666 7.199 ( -0.909 5.297 1.796) 5.666 7.586 ( 0.967 -4.804 -1.078) 5.017 7.586 ( 0.967 4.804 -1.078) 5.017 7.912 ( -0.374 -0.507 0.259) 0.681 7.912 ( -0.374 0.507 0.259) 0.681 8.128 ( 0.133 -3.243 1.279) 3.488 8.128 ( 0.133 3.243 1.279) 3.488 8.386 ( 1.826 -2.678 -10.810) 11.285 8.386 ( 1.826 2.678 -10.810) 11.285 8.502 ( 0.788 -2.126 -8.358) 8.660 8.502 ( 0.788 2.126 -8.358) 8.660 8.904 ( -0.704 -5.427 -1.827) 5.770 8.904 ( -0.704 5.427 -1.827) 5.770 9.232 ( 1.127 -4.898 -3.769) 6.282 9.232 ( 1.127 4.898 -3.769) 6.282 9.627 ( -1.147 -4.926 0.585) 5.092 9.627 ( -1.147 4.926 0.585) 5.092 9.843 ( 1.246 -5.293 2.868) 6.148 9.843 ( 1.246 5.293 2.868) 6.148 10.249 ( -0.364 -1.259 1.124) 1.726 10.249 ( -0.364 1.259 1.124) 1.726 10.345 ( -0.464 -2.451 0.903) 2.652 10.345 ( -0.464 2.451 0.903) 2.652 11.090 ( -1.754 -16.247 4.788) 17.028 11.090 ( -1.754 16.247 4.788) 17.028 11.719 ( 1.397 -1.108 -0.039) 1.783 11.719 ( 1.397 1.108 -0.039) 1.783 12.286 ( 4.039 -1.417 -10.713) 11.537 12.286 ( 4.039 1.417 -10.713) 11.537 12.407 ( 2.179 -0.379 -15.536) 15.693 12.407 ( 2.179 0.379 -15.536) 15.693 12.699 ( -1.963 -7.812 -2.741) 8.509 12.699 ( -1.963 7.812 -2.741) 8.509 12.882 ( 1.591 -2.316 5.962) 6.591 12.882 ( 1.591 2.316 5.962) 6.591 13.192 ( -0.253 -12.436 1.719) 12.557 13.192 ( -0.253 12.436 1.719) 12.557 13.634 ( 0.332 -4.269 -4.766) 6.407 13.634 ( 0.332 4.269 -4.766) 6.407 13.943 ( 0.205 -7.677 7.560) 10.776 13.943 ( 0.205 7.677 7.560) 10.776 14.221 ( -3.060 -2.583 -0.197) 4.009 14.221 ( -3.060 2.583 -0.197) 4.009 14.628 ( 0.353 -7.018 3.911) 8.042 14.628 ( 0.353 7.018 3.911) 8.042 14.698 ( -1.616 -2.519 3.731) 4.783 14.698 ( -1.616 2.519 3.731) 4.783 20.585 ( 0.961 -2.057 -1.752) 2.867 20.585 ( 0.961 2.057 -1.752) 2.867 20.891 ( 0.322 -3.056 0.148) 3.076 20.891 ( 0.322 3.056 0.148) 3.076 21.057 ( 0.855 -0.552 -1.028) 1.446 21.057 ( 0.855 0.552 -1.028) 1.446 21.230 ( -1.154 -2.010 -5.781) 6.229 21.230 ( -1.154 2.010 -5.781) 6.229 21.498 ( 2.884 -2.545 -4.474) 5.900 21.498 ( 2.884 2.545 -4.474) 5.900 21.642 ( 0.837 -6.173 1.098) 6.326 21.642 ( 0.837 6.173 1.098) 6.326 21.826 ( 0.836 -1.508 4.511) 4.829 21.826 ( 0.836 1.508 4.511) 4.829 22.352 ( -3.109 -2.787 -5.078) 6.574 22.352 ( -3.109 2.787 -5.078) 6.574 22.854 ( -1.970 -2.328 6.845) 7.493 22.854 ( -1.970 2.328 6.845) 7.493 22.960 ( 1.686 -0.306 3.471) 3.871 22.960 ( 1.686 0.306 3.471) 3.871 23.057 ( -0.798 -2.201 7.247) 7.616 23.057 ( -0.798 2.201 7.247) 7.616 23.218 ( -1.442 -0.446 -0.744) 1.683 23.218 ( -1.442 0.446 -0.744) 1.683 23.913 ( -0.351 -1.557 0.427) 1.652 23.913 ( -0.351 1.557 0.427) 1.652 24.094 ( -1.776 -2.602 0.519) 3.192 24.094 ( -1.776 2.602 0.519) 3.192 24.353 ( 3.767 -2.247 3.431) 5.569 24.353 ( 3.767 2.247 3.431) 5.569 24.727 ( 0.734 -7.777 -4.562) 9.046 24.727 ( 0.734 7.777 -4.562) 9.046 ======================= Grid point 43 (24/63) ======================= q-point: (-0.20 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -0.643 -9.517 3.179) 10.055 0.596 ( -0.643 9.517 3.179) 10.055 0.805 ( -6.142 -6.001 7.040) 11.104 0.805 ( -6.142 6.001 7.040) 11.104 0.947 ( 2.201 -5.199 2.545) 6.193 0.947 ( 2.201 5.199 2.545) 6.193 1.074 ( -2.053 -1.946 0.294) 2.844 1.074 ( -2.053 1.946 0.294) 2.844 1.170 ( -0.916 -2.595 4.653) 5.406 1.170 ( -0.916 2.595 4.653) 5.406 1.264 ( 0.601 -2.564 4.041) 4.823 1.264 ( 0.601 2.564 4.041) 4.823 1.356 ( -3.552 -6.620 6.417) 9.880 1.356 ( -3.552 6.620 6.417) 9.880 1.435 ( -4.432 -6.778 6.525) 10.400 1.435 ( -4.432 6.778 6.525) 10.400 1.482 ( 1.983 -1.638 0.735) 2.675 1.482 ( 1.983 1.638 0.735) 2.675 1.573 ( -0.224 -2.394 2.798) 3.689 1.573 ( -0.224 2.394 2.798) 3.689 1.607 ( 1.601 -2.103 9.768) 10.119 1.607 ( 1.601 2.103 9.768) 10.119 1.664 ( -2.665 -1.096 7.156) 7.715 1.664 ( -2.665 1.096 7.156) 7.715 1.769 ( 0.898 -3.204 1.049) 3.488 1.769 ( 0.898 3.204 1.049) 3.488 1.921 ( 2.113 -1.441 -0.030) 2.557 1.921 ( 2.113 1.441 -0.030) 2.557 1.944 ( 0.920 -1.146 0.942) 1.745 1.944 ( 0.920 1.146 0.942) 1.745 2.272 ( 0.358 -0.485 2.221) 2.301 2.272 ( 0.358 0.485 2.221) 2.301 2.373 ( 1.238 -3.400 0.397) 3.640 2.373 ( 1.238 3.400 0.397) 3.640 2.507 ( -0.285 -6.451 3.101) 7.163 2.507 ( -0.285 6.451 3.101) 7.163 2.620 ( -0.696 -5.459 0.309) 5.512 2.620 ( -0.696 5.459 0.309) 5.512 2.760 ( -0.537 -4.386 0.982) 4.527 2.760 ( -0.537 4.386 0.982) 4.527 2.923 ( 1.760 -5.734 -2.409) 6.464 2.923 ( 1.760 5.734 -2.409) 6.464 3.097 ( -1.357 -3.832 1.033) 4.194 3.097 ( -1.357 3.832 1.033) 4.194 3.335 ( -3.210 -2.184 -4.799) 6.173 3.335 ( -3.210 2.184 -4.799) 6.173 3.537 ( -1.444 -4.168 -0.927) 4.508 3.537 ( -1.444 4.168 -0.927) 4.508 3.697 ( -0.485 -4.503 -4.740) 6.556 3.697 ( -0.485 4.503 -4.740) 6.556 3.859 ( -0.775 -4.657 -2.576) 5.378 3.859 ( -0.775 4.657 -2.576) 5.378 3.955 ( -1.816 -8.001 -3.511) 8.924 3.955 ( -1.816 8.001 -3.511) 8.924 4.147 ( 0.050 -5.673 -3.778) 6.816 4.147 ( 0.050 5.673 -3.778) 6.816 4.316 ( 0.252 -3.924 -0.517) 3.966 4.316 ( 0.252 3.924 -0.517) 3.966 4.379 ( -2.562 -4.443 -0.194) 5.132 4.379 ( -2.562 4.443 -0.194) 5.132 4.626 ( 1.249 -3.303 0.383) 3.552 4.626 ( 1.249 3.303 0.383) 3.552 4.771 ( 1.784 -2.232 -2.665) 3.907 4.771 ( 1.784 2.232 -2.665) 3.907 4.986 ( -4.246 -3.838 2.775) 6.361 4.986 ( -4.246 3.838 2.775) 6.361 5.091 ( 0.677 -0.716 4.819) 4.919 5.091 ( 0.677 0.716 4.819) 4.919 5.470 ( 3.352 -2.154 -0.155) 3.988 5.470 ( 3.352 2.154 -0.155) 3.988 5.818 ( -0.893 -6.753 3.596) 7.703 5.818 ( -0.893 6.753 3.596) 7.703 6.378 ( 1.839 -4.609 2.648) 5.624 6.378 ( 1.839 4.609 2.648) 5.624 6.689 ( -1.151 -6.216 -0.841) 6.377 6.689 ( -1.151 6.216 -0.841) 6.377 7.174 ( -1.973 -6.831 2.018) 7.392 7.174 ( -1.973 6.831 2.018) 7.392 7.602 ( 0.753 -4.384 -1.031) 4.566 7.602 ( 0.753 4.384 -1.031) 4.566 7.908 ( -0.139 -0.847 0.688) 1.100 7.908 ( -0.139 0.847 0.688) 1.100 8.130 ( -0.185 -3.048 0.276) 3.066 8.130 ( -0.185 3.048 0.276) 3.066 8.380 ( 1.193 -1.396 -10.562) 10.721 8.380 ( 1.193 1.396 -10.562) 10.721 8.494 ( 1.396 -2.898 -8.462) 9.053 8.494 ( 1.396 2.898 -8.462) 9.053 8.880 ( -0.673 -5.688 -2.228) 6.145 8.880 ( -0.673 5.688 -2.228) 6.145 9.230 ( -0.308 -5.304 -1.986) 5.672 9.230 ( -0.308 5.304 -1.986) 5.672 9.599 ( -1.311 -5.536 0.787) 5.743 9.599 ( -1.311 5.536 0.787) 5.743 9.937 ( 6.273 -3.512 1.593) 7.364 9.937 ( 6.273 3.512 1.593) 7.364 10.236 ( -1.433 -2.270 1.120) 2.909 10.236 ( -1.433 2.270 1.120) 2.909 10.324 ( -1.974 -3.364 1.602) 4.217 10.324 ( -1.974 3.364 1.602) 4.217 11.072 ( -1.291 -15.545 4.273) 16.173 11.072 ( -1.291 15.545 4.273) 16.173 11.744 ( 0.906 -1.220 -0.606) 1.636 11.744 ( 0.906 1.220 -0.606) 1.636 12.326 ( 2.546 -0.965 -9.719) 10.093 12.326 ( 2.546 0.965 -9.719) 10.093 12.402 ( 2.869 -1.560 -14.822) 15.177 12.402 ( 2.869 1.560 -14.822) 15.177 12.648 ( -1.549 -7.175 -3.955) 8.338 12.648 ( -1.549 7.175 -3.955) 8.338 12.940 ( 1.460 -3.591 6.652) 7.699 12.940 ( 1.460 3.591 6.652) 7.699 13.201 ( 0.916 -11.517 -0.573) 11.568 13.201 ( 0.916 11.517 -0.573) 11.568 13.620 ( -0.018 -4.737 -4.223) 6.346 13.620 ( -0.018 4.737 -4.223) 6.346 13.960 ( -1.631 -6.496 7.100) 9.761 13.960 ( -1.631 6.496 7.100) 9.761 14.180 ( -0.415 -2.148 2.084) 3.021 14.180 ( -0.415 2.148 2.084) 3.021 14.619 ( -2.661 -1.415 2.639) 4.006 14.619 ( -2.661 1.415 2.639) 4.006 14.680 ( -0.967 -3.592 4.338) 5.715 14.680 ( -0.967 3.592 4.338) 5.715 20.588 ( -0.083 -0.998 -1.285) 1.629 20.588 ( -0.083 0.998 -1.285) 1.629 20.904 ( 0.722 -4.302 -0.618) 4.406 20.904 ( 0.722 4.302 -0.618) 4.406 21.049 ( -0.881 -0.893 -2.294) 2.614 21.049 ( -0.881 0.893 -2.294) 2.614 21.214 ( 1.008 -1.073 -2.786) 3.151 21.214 ( 1.008 1.073 -2.786) 3.151 21.515 ( 0.634 -4.197 -6.865) 8.071 21.515 ( 0.634 4.197 -6.865) 8.071 21.667 ( 0.685 -3.812 2.007) 4.362 21.667 ( 0.685 3.812 2.007) 4.362 21.829 ( -1.962 -4.985 1.392) 5.535 21.829 ( -1.962 4.985 1.392) 5.535 22.328 ( 2.865 -3.862 -3.430) 5.907 22.328 ( 2.865 3.862 -3.430) 5.907 22.840 ( -1.680 -3.455 6.779) 7.792 22.840 ( -1.680 3.455 6.779) 7.792 23.019 ( 2.147 -1.594 3.400) 4.326 23.019 ( 2.147 1.594 3.400) 4.326 23.077 ( 0.949 -0.848 7.189) 7.301 23.077 ( 0.949 0.848 7.189) 7.301 23.181 ( -2.085 -0.579 0.079) 2.165 23.181 ( -2.085 0.579 0.079) 2.165 23.908 ( -0.262 -1.619 0.624) 1.755 23.908 ( -0.262 1.619 0.624) 1.755 24.054 ( -1.978 -2.114 0.090) 2.897 24.054 ( -1.978 2.114 0.090) 2.897 24.449 ( 3.734 -3.500 3.361) 6.123 24.449 ( 3.734 3.500 3.361) 6.123 24.722 ( 0.317 -6.763 -4.862) 8.335 24.722 ( 0.317 6.763 -4.862) 8.335 ======================= Grid point 50 (25/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 14.872 0.000 14.509) 20.777 0.507 ( 4.616 0.000 13.795) 14.546 0.970 ( -0.717 0.000 3.548) 3.620 0.971 ( 0.751 0.000 1.236) 1.446 0.974 ( -0.063 0.000 7.051) 7.051 1.099 ( -1.077 0.000 3.118) 3.299 1.102 ( -5.090 0.000 6.715) 8.426 1.150 ( 0.335 0.000 2.147) 2.173 1.214 ( -2.549 0.000 -0.513) 2.601 1.267 ( -2.336 0.000 -0.343) 2.361 1.327 ( 1.188 0.000 -0.996) 1.550 1.341 ( -0.198 0.000 1.889) 1.899 1.379 ( -3.716 0.000 4.609) 5.921 1.438 ( 1.167 0.000 2.497) 2.756 1.500 ( -1.270 0.000 -0.147) 1.279 1.519 ( 2.363 0.000 3.084) 3.885 1.593 ( 0.495 0.000 2.978) 3.019 1.609 ( -1.510 0.000 2.888) 3.259 1.611 ( -1.625 0.000 5.698) 5.925 1.655 ( -2.763 0.000 1.362) 3.081 1.743 ( -3.589 0.000 -0.439) 3.616 1.745 ( 0.623 0.000 -1.127) 1.288 1.816 ( 0.279 0.000 0.145) 0.315 1.874 ( 2.772 0.000 -2.241) 3.565 1.881 ( -0.115 0.000 7.805) 7.806 1.920 ( -1.869 0.000 0.990) 2.116 1.990 ( -1.647 0.000 10.154) 10.287 2.024 ( 5.092 0.000 0.281) 5.100 2.097 ( 5.701 0.000 5.065) 7.626 2.120 ( 0.939 0.000 -6.309) 6.379 2.212 ( 3.813 0.000 9.083) 9.851 2.269 ( -5.759 0.000 10.168) 11.686 2.313 ( -1.393 0.000 8.202) 8.319 2.431 ( -3.384 0.000 7.695) 8.406 2.455 ( -0.537 0.000 2.975) 3.023 2.531 ( -2.393 0.000 3.076) 3.897 2.610 ( -4.883 0.000 20.992) 21.552 2.680 ( -1.667 0.000 6.479) 6.690 2.811 ( -2.760 0.000 1.421) 3.105 2.815 ( -1.666 0.000 4.647) 4.937 2.915 ( 1.840 0.000 -0.635) 1.946 3.045 ( -1.947 0.000 -3.739) 4.215 3.063 ( 3.131 0.000 1.723) 3.574 3.208 ( 5.521 0.000 -4.241) 6.962 3.236 ( -0.339 0.000 -0.901) 0.962 3.320 ( 2.485 0.000 0.903) 2.644 3.380 ( 3.113 0.000 -6.900) 7.570 3.458 ( -1.750 0.000 -1.389) 2.235 3.549 ( -0.710 0.000 -0.223) 0.744 3.562 ( 4.020 0.000 -1.334) 4.236 3.738 ( -3.182 0.000 -7.629) 8.266 3.783 ( -1.470 0.000 1.317) 1.973 3.916 ( 9.844 0.000 -3.327) 10.391 3.918 ( -4.617 0.000 0.211) 4.622 4.014 ( 2.616 0.000 -5.493) 6.084 4.130 ( -1.646 0.000 0.628) 1.762 4.168 ( -2.664 0.000 -8.109) 8.536 4.293 ( -0.309 0.000 -3.286) 3.300 4.319 ( -1.726 0.000 -0.546) 1.811 4.339 ( -4.106 0.000 -2.138) 4.629 4.538 ( -0.406 0.000 -2.302) 2.337 4.589 ( 2.433 0.000 -7.316) 7.710 4.788 ( 2.462 0.000 2.557) 3.550 4.989 ( 1.541 0.000 -1.515) 2.161 5.072 ( 2.794 0.000 5.468) 6.140 5.125 ( -5.754 0.000 7.552) 9.494 5.191 ( 2.461 0.000 3.801) 4.528 5.276 ( -1.169 0.000 2.594) 2.845 5.399 ( -4.974 0.000 1.941) 5.339 5.411 ( -2.952 0.000 2.102) 3.624 5.766 ( 0.759 0.000 5.873) 5.922 5.974 ( -0.132 0.000 0.201) 0.240 6.338 ( 0.086 0.000 -0.866) 0.870 6.359 ( 0.277 0.000 0.299) 0.407 6.600 ( -1.164 0.000 2.354) 2.626 6.732 ( -1.385 0.000 1.794) 2.267 7.140 ( -0.987 0.000 2.432) 2.625 7.356 ( -0.996 0.000 -2.056) 2.285 7.425 ( -0.118 0.000 0.654) 0.665 7.644 ( 0.916 0.000 -3.002) 3.139 7.849 ( 1.434 0.000 -5.626) 5.806 7.926 ( -0.216 0.000 -0.057) 0.224 7.983 ( 4.002 0.000 -7.525) 8.523 8.017 ( 2.055 0.000 -13.689) 13.843 8.162 ( 2.203 0.000 -6.723) 7.075 8.213 ( 0.822 0.000 -2.863) 2.978 8.341 ( 1.381 0.000 -11.791) 11.871 8.405 ( -0.767 0.000 0.531) 0.933 8.794 ( 2.945 0.000 0.361) 2.967 8.948 ( -0.844 0.000 -7.374) 7.422 8.992 ( 3.630 0.000 -5.949) 6.969 9.201 ( 0.436 0.000 -6.563) 6.578 9.631 ( -0.623 0.000 3.927) 3.976 9.710 ( -2.839 0.000 3.024) 4.148 9.965 ( 0.006 0.000 3.320) 3.320 10.141 ( -1.456 0.000 4.619) 4.843 10.191 ( 0.174 0.000 1.605) 1.615 10.224 ( 0.674 0.000 -0.438) 0.804 10.324 ( 0.320 0.000 -0.920) 0.974 10.431 ( -1.103 0.000 0.570) 1.241 10.900 ( -1.453 0.000 8.515) 8.638 11.688 ( -2.170 0.000 0.418) 2.209 11.716 ( 1.418 0.000 -4.852) 5.056 11.821 ( 2.194 0.000 0.897) 2.370 11.924 ( 0.987 0.000 -9.269) 9.321 12.005 ( -0.562 0.000 -10.682) 10.697 12.006 ( 2.251 0.000 -12.154) 12.361 12.172 ( 3.828 0.000 -12.260) 12.843 12.370 ( -6.016 0.000 -6.962) 9.201 12.742 ( 0.064 0.000 -0.803) 0.806 12.865 ( 7.968 0.000 6.097) 10.033 12.923 ( 1.249 0.000 -0.212) 1.267 13.152 ( -1.717 0.000 0.947) 1.961 13.486 ( -0.315 0.000 -4.105) 4.117 13.562 ( -1.959 0.000 2.166) 2.920 13.924 ( 3.016 0.000 -8.884) 9.382 13.956 ( -6.499 0.000 7.518) 9.937 14.056 ( -4.416 0.000 6.633) 7.969 14.285 ( -1.878 0.000 1.634) 2.490 14.320 ( -1.788 0.000 -1.371) 2.253 14.423 ( 4.000 0.000 8.740) 9.611 14.659 ( 4.446 0.000 4.775) 6.524 14.721 ( -1.801 0.000 5.300) 5.598 14.763 ( -3.009 0.000 1.734) 3.473 20.506 ( -3.603 0.000 -1.751) 4.006 20.603 ( -2.367 0.000 -3.284) 4.048 20.695 ( 2.579 0.000 0.516) 2.630 20.964 ( -0.155 0.000 -5.295) 5.297 21.006 ( 4.018 0.000 -3.453) 5.298 21.050 ( 4.176 0.000 -3.001) 5.143 21.066 ( -2.797 0.000 2.082) 3.487 21.178 ( -0.253 0.000 -0.864) 0.900 21.204 ( 1.305 0.000 -1.262) 1.815 21.381 ( -0.089 0.000 -7.711) 7.711 21.650 ( -2.603 0.000 -1.259) 2.892 21.733 ( -3.005 0.000 4.665) 5.549 21.831 ( 1.940 0.000 0.384) 1.977 22.084 ( -2.682 0.000 -2.175) 3.453 22.271 ( 3.125 0.000 -6.783) 7.468 22.383 ( 5.640 0.000 0.716) 5.685 22.892 ( 2.721 0.000 3.959) 4.804 22.899 ( -0.792 0.000 2.449) 2.574 23.058 ( -2.217 0.000 0.428) 2.258 23.067 ( -1.897 0.000 3.782) 4.231 23.199 ( -0.760 0.000 4.445) 4.509 23.207 ( -0.196 0.000 6.827) 6.830 23.247 ( 0.845 0.000 9.515) 9.552 23.530 ( -0.947 0.000 3.873) 3.987 23.903 ( -0.135 0.000 1.758) 1.763 23.907 ( 0.595 0.000 2.064) 2.149 24.030 ( 3.511 0.000 2.121) 4.102 24.080 ( -3.700 0.000 2.805) 4.643 24.362 ( 1.321 0.000 -6.624) 6.754 24.459 ( -2.905 0.000 5.816) 6.502 24.541 ( -6.952 0.000 -4.063) 8.052 24.794 ( 4.396 0.000 -5.030) 6.680 ======================= Grid point 51 (26/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 6.400 0.000 10.016) 11.887 0.784 ( 8.877 0.000 9.257) 12.825 0.922 ( -6.386 0.000 2.478) 6.850 0.972 ( -2.764 0.000 0.979) 2.932 1.005 ( -4.320 0.000 3.461) 5.535 1.039 ( 5.992 0.000 10.471) 12.064 1.087 ( -0.659 0.000 1.644) 1.771 1.154 ( -2.283 0.000 2.910) 3.699 1.165 ( -1.753 0.000 -0.355) 1.789 1.223 ( -0.639 0.000 -0.655) 0.915 1.305 ( -1.761 0.000 5.408) 5.687 1.351 ( -0.329 0.000 -0.729) 0.800 1.369 ( -0.352 0.000 -1.299) 1.346 1.388 ( -3.230 0.000 1.435) 3.534 1.522 ( -3.841 0.000 2.300) 4.477 1.546 ( 2.990 0.000 -1.877) 3.530 1.558 ( -4.644 0.000 1.808) 4.984 1.587 ( -2.294 0.000 11.007) 11.244 1.593 ( 0.818 0.000 0.520) 0.970 1.610 ( 1.464 0.000 0.787) 1.662 1.719 ( -0.789 0.000 2.129) 2.270 1.721 ( -3.372 0.000 -1.406) 3.653 1.829 ( 1.637 0.000 0.758) 1.805 1.840 ( -2.511 0.000 5.964) 6.471 1.870 ( -3.408 0.000 2.436) 4.190 1.977 ( -1.375 0.000 0.904) 1.646 2.006 ( 4.305 0.000 -0.171) 4.308 2.096 ( 1.217 0.000 1.867) 2.229 2.129 ( 1.158 0.000 0.478) 1.253 2.205 ( 2.552 0.000 11.377) 11.660 2.224 ( -4.979 0.000 13.472) 14.363 2.283 ( 4.945 0.000 4.536) 6.710 2.368 ( -4.738 0.000 7.467) 8.843 2.369 ( 1.083 0.000 1.910) 2.196 2.482 ( 3.000 0.000 3.237) 4.413 2.484 ( -3.580 0.000 5.632) 6.674 2.604 ( -1.557 0.000 15.348) 15.427 2.716 ( 1.140 0.000 11.585) 11.641 2.785 ( 0.623 0.000 0.363) 0.721 2.790 ( -2.925 0.000 7.090) 7.669 2.915 ( -0.485 0.000 -3.482) 3.515 3.045 ( 1.917 0.000 -0.258) 1.935 3.056 ( 0.281 0.000 2.377) 2.394 3.202 ( -2.516 0.000 -2.073) 3.260 3.331 ( -0.715 0.000 -2.300) 2.408 3.444 ( 0.476 0.000 -1.806) 1.867 3.457 ( 5.763 0.000 -6.177) 8.448 3.463 ( -7.083 0.000 1.600) 7.262 3.531 ( 20.674 0.000 -11.858) 23.833 3.643 ( 3.613 0.000 1.881) 4.074 3.654 ( -1.452 0.000 -9.441) 9.552 3.759 ( -1.253 0.000 -0.407) 1.317 3.820 ( -5.090 0.000 2.148) 5.524 4.046 ( 2.174 0.000 -4.842) 5.307 4.076 ( 3.049 0.000 -10.228) 10.672 4.108 ( -0.161 0.000 0.541) 0.565 4.120 ( 3.828 0.000 -2.221) 4.425 4.273 ( -0.848 0.000 -3.727) 3.823 4.276 ( -2.169 0.000 -0.668) 2.269 4.305 ( 2.293 0.000 -3.217) 3.951 4.522 ( -0.594 0.000 -1.264) 1.397 4.625 ( 3.318 0.000 -7.566) 8.262 4.818 ( -0.946 0.000 1.501) 1.774 4.954 ( -4.252 0.000 -2.698) 5.036 5.040 ( -3.941 0.000 7.264) 8.265 5.123 ( -0.342 0.000 7.054) 7.062 5.173 ( -4.840 0.000 4.307) 6.479 5.264 ( -0.641 0.000 3.310) 3.371 5.375 ( 2.314 0.000 1.934) 3.016 5.408 ( 1.215 0.000 4.211) 4.382 5.791 ( -0.288 0.000 5.110) 5.118 5.994 ( 1.530 0.000 0.549) 1.625 6.364 ( 2.571 0.000 -1.683) 3.073 6.365 ( 0.196 0.000 0.719) 0.745 6.577 ( -1.666 0.000 2.626) 3.109 6.741 ( 1.926 0.000 1.310) 2.330 7.133 ( -0.623 0.000 3.208) 3.268 7.331 ( -0.576 0.000 -1.781) 1.872 7.431 ( 0.307 0.000 0.922) 0.972 7.646 ( 0.553 0.000 -4.567) 4.600 7.841 ( 0.045 0.000 -7.375) 7.375 7.934 ( 0.721 0.000 -1.627) 1.779 8.023 ( 2.900 0.000 -12.934) 13.255 8.030 ( 2.792 0.000 -7.160) 7.685 8.176 ( 0.752 0.000 -4.676) 4.736 8.208 ( -0.500 0.000 -1.469) 1.552 8.328 ( 1.788 0.000 -12.065) 12.197 8.396 ( 0.032 0.000 -1.286) 1.287 8.820 ( -0.905 0.000 -1.035) 1.375 8.937 ( 2.865 0.000 -8.418) 8.892 9.030 ( 1.484 0.000 -5.464) 5.662 9.174 ( -0.515 0.000 -6.936) 6.955 9.602 ( -3.005 0.000 3.785) 4.833 9.641 ( -3.982 0.000 3.275) 5.156 9.960 ( -1.713 0.000 3.984) 4.337 10.138 ( -0.878 0.000 6.380) 6.440 10.229 ( 3.131 0.000 -0.529) 3.176 10.256 ( 2.207 0.000 -1.537) 2.690 10.344 ( 1.724 0.000 -0.020) 1.724 10.399 ( -2.151 0.000 2.972) 3.669 10.886 ( -2.790 0.000 9.356) 9.763 11.636 ( -1.873 0.000 -0.510) 1.941 11.725 ( 0.677 0.000 -3.100) 3.173 11.876 ( -1.032 0.000 -10.499) 10.549 11.912 ( 4.937 0.000 2.772) 5.662 12.001 ( 1.324 0.000 -11.476) 11.552 12.003 ( 3.302 0.000 -12.630) 13.055 12.201 ( 2.857 0.000 -10.787) 11.159 12.245 ( -3.907 0.000 -5.435) 6.694 12.744 ( 0.313 0.000 -0.747) 0.810 12.934 ( -0.297 0.000 0.244) 0.384 12.969 ( 0.686 0.000 0.957) 1.177 13.141 ( -0.350 0.000 4.450) 4.463 13.487 ( 2.099 0.000 -5.623) 6.002 13.576 ( 2.535 0.000 1.996) 3.227 13.890 ( -2.093 0.000 8.770) 9.016 13.942 ( 0.524 0.000 -7.312) 7.330 13.990 ( -2.663 0.000 5.288) 5.921 14.276 ( -0.191 0.000 2.483) 2.490 14.294 ( -0.935 0.000 0.757) 1.203 14.512 ( 1.441 0.000 7.859) 7.990 14.623 ( -5.132 0.000 0.820) 5.197 14.712 ( -0.519 0.000 4.481) 4.511 14.807 ( 3.050 0.000 4.426) 5.375 20.450 ( -1.095 0.000 -1.613) 1.949 20.563 ( -0.290 0.000 -2.712) 2.728 20.775 ( 5.119 0.000 0.954) 5.207 20.958 ( 1.394 0.000 -3.760) 4.010 20.995 ( -3.580 0.000 0.235) 3.588 21.083 ( 2.923 0.000 -1.068) 3.112 21.134 ( 4.711 0.000 -4.262) 6.353 21.147 ( -2.124 0.000 -1.900) 2.849 21.217 ( 0.777 0.000 -4.252) 4.323 21.320 ( -3.211 0.000 -7.716) 8.357 21.661 ( 3.126 0.000 2.413) 3.949 21.702 ( -1.291 0.000 2.316) 2.651 21.868 ( 1.448 0.000 2.298) 2.716 22.032 ( -1.609 0.000 -1.025) 1.908 22.293 ( 0.553 0.000 -4.389) 4.424 22.448 ( 1.351 0.000 -4.605) 4.799 22.937 ( 0.025 0.000 1.805) 1.805 22.940 ( 2.893 0.000 6.114) 6.764 23.003 ( -2.753 0.000 2.579) 3.772 23.037 ( -2.015 0.000 2.413) 3.144 23.194 ( -0.825 0.000 2.320) 2.462 23.214 ( -1.878 0.000 6.131) 6.412 23.270 ( -1.477 0.000 9.749) 9.861 23.477 ( -4.950 0.000 4.453) 6.658 23.903 ( -0.376 0.000 2.327) 2.357 23.947 ( 2.761 0.000 0.678) 2.843 24.022 ( -1.987 0.000 0.836) 2.156 24.145 ( 5.656 0.000 4.380) 7.154 24.296 ( -6.212 0.000 -2.671) 6.762 24.408 ( -3.687 0.000 4.950) 6.172 24.433 ( -1.006 0.000 -2.568) 2.759 24.827 ( 1.143 0.000 -5.783) 5.894 ======================= Grid point 52 (27/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -10.773 0.000 3.820) 11.430 0.805 ( -9.456 0.000 -3.746) 10.171 0.814 ( 5.590 0.000 5.310) 7.710 0.905 ( -0.577 0.000 9.821) 9.838 0.986 ( -0.796 0.000 5.324) 5.383 1.082 ( -0.066 0.000 -0.769) 0.772 1.110 ( -1.156 0.000 1.660) 2.023 1.166 ( 1.976 0.000 1.410) 2.427 1.215 ( 3.627 0.000 2.703) 4.523 1.254 ( 2.652 0.000 1.656) 3.127 1.312 ( 0.410 0.000 4.500) 4.519 1.314 ( -3.216 0.000 -2.127) 3.856 1.318 ( 1.659 0.000 0.189) 1.669 1.377 ( 0.970 0.000 -3.009) 3.161 1.467 ( -3.165 0.000 0.250) 3.175 1.501 ( -1.038 0.000 5.104) 5.208 1.518 ( -4.511 0.000 8.799) 9.888 1.589 ( -4.212 0.000 0.293) 4.223 1.617 ( 1.602 0.000 -0.845) 1.811 1.651 ( -0.687 0.000 1.905) 2.025 1.682 ( 4.503 0.000 2.141) 4.986 1.721 ( 0.156 0.000 3.684) 3.688 1.804 ( -2.090 0.000 2.696) 3.412 1.806 ( -3.110 0.000 0.040) 3.110 1.902 ( 4.246 0.000 -0.274) 4.255 1.960 ( 0.523 0.000 -0.503) 0.725 1.999 ( -3.943 0.000 3.895) 5.542 2.122 ( -2.010 0.000 4.850) 5.250 2.134 ( -4.790 0.000 11.933) 12.859 2.155 ( -3.355 0.000 7.460) 8.180 2.265 ( -1.336 0.000 4.550) 4.742 2.330 ( 1.070 0.000 8.702) 8.768 2.361 ( -1.313 0.000 2.621) 2.932 2.412 ( 2.805 0.000 4.802) 5.561 2.460 ( 1.206 0.000 8.576) 8.660 2.541 ( -0.205 0.000 8.964) 8.966 2.634 ( -0.691 0.000 11.401) 11.422 2.742 ( -4.641 0.000 10.305) 11.302 2.768 ( -0.339 0.000 11.320) 11.325 2.837 ( 3.718 0.000 2.693) 4.591 2.910 ( 0.913 0.000 -0.966) 1.329 3.075 ( 0.880 0.000 -1.291) 1.562 3.091 ( -4.433 0.000 -0.688) 4.486 3.156 ( 4.899 0.000 0.306) 4.909 3.309 ( 0.009 0.000 -2.708) 2.708 3.340 ( -3.879 0.000 -1.070) 4.024 3.430 ( -1.569 0.000 -0.925) 1.821 3.540 ( 3.586 0.000 -6.156) 7.124 3.595 ( -1.356 0.000 -9.192) 9.292 3.687 ( -4.578 0.000 -1.915) 4.962 3.698 ( -0.424 0.000 -2.290) 2.329 3.726 ( 0.674 0.000 -2.392) 2.485 3.872 ( 12.405 0.000 -12.341) 17.498 4.047 ( -0.545 0.000 -3.369) 3.413 4.057 ( 0.487 0.000 -9.086) 9.099 4.147 ( 2.988 0.000 0.047) 2.988 4.158 ( -0.467 0.000 -1.414) 1.489 4.237 ( -0.964 0.000 -0.716) 1.201 4.305 ( 3.582 0.000 -4.525) 5.771 4.372 ( 5.812 0.000 -3.732) 6.907 4.514 ( 0.592 0.000 -0.834) 1.023 4.658 ( 1.949 0.000 -6.272) 6.567 4.755 ( -5.004 0.000 2.678) 5.676 4.857 ( -2.749 0.000 -2.927) 4.016 5.018 ( -1.532 0.000 3.421) 3.748 5.087 ( -4.778 0.000 5.931) 7.616 5.142 ( 0.640 0.000 8.332) 8.357 5.268 ( -0.240 0.000 3.168) 3.177 5.444 ( 0.627 0.000 4.346) 4.391 5.466 ( 5.017 0.000 1.273) 5.176 5.783 ( -2.481 0.000 5.767) 6.278 6.020 ( 0.701 0.000 0.750) 1.027 6.365 ( -0.620 0.000 0.733) 0.960 6.403 ( 1.444 0.000 -1.723) 2.248 6.564 ( -0.383 0.000 3.233) 3.256 6.802 ( 2.949 0.000 0.523) 2.995 7.137 ( -0.259 0.000 4.002) 4.010 7.328 ( 0.762 0.000 -1.176) 1.402 7.442 ( 0.283 0.000 1.499) 1.526 7.636 ( 0.146 0.000 -5.467) 5.469 7.815 ( 0.431 0.000 -8.817) 8.828 7.933 ( -0.021 0.000 -3.027) 3.027 8.036 ( 2.619 0.000 -12.739) 13.006 8.042 ( 1.386 0.000 -9.483) 9.584 8.163 ( -0.609 0.000 -1.887) 1.983 8.193 ( -0.307 0.000 -1.328) 1.363 8.330 ( 2.204 0.000 -12.326) 12.521 8.394 ( 0.263 0.000 -1.255) 1.282 8.784 ( -1.640 0.000 -1.319) 2.104 8.974 ( 3.115 0.000 -8.676) 9.219 8.997 ( -2.184 0.000 -6.534) 6.889 9.162 ( 1.643 0.000 -6.013) 6.234 9.561 ( -1.803 0.000 2.807) 3.336 9.604 ( -0.632 0.000 3.770) 3.822 9.938 ( -1.410 0.000 3.907) 4.153 10.143 ( -0.667 0.000 5.157) 5.200 10.283 ( 1.016 0.000 -2.590) 2.782 10.285 ( 1.592 0.000 0.866) 1.812 10.374 ( 0.569 0.000 1.179) 1.309 10.383 ( -0.388 0.000 4.255) 4.273 10.863 ( -2.567 0.000 10.102) 10.423 11.621 ( 0.744 0.000 -2.435) 2.546 11.717 ( -0.354 0.000 -2.484) 2.509 11.846 ( 1.788 0.000 -10.750) 10.897 11.953 ( -1.190 0.000 -3.444) 3.644 12.013 ( 2.039 0.000 -6.212) 6.538 12.033 ( 3.921 0.000 -13.312) 13.877 12.207 ( 1.108 0.000 -10.104) 10.164 12.220 ( 3.775 0.000 -0.900) 3.881 12.748 ( 0.599 0.000 -2.024) 2.111 12.913 ( -4.859 0.000 -5.647) 7.449 12.915 ( -1.456 0.000 0.375) 1.504 13.154 ( -0.372 0.000 7.134) 7.144 13.523 ( 3.005 0.000 -6.222) 6.910 13.635 ( 1.995 0.000 0.264) 2.013 13.893 ( -2.596 0.000 0.588) 2.661 13.954 ( 5.219 0.000 10.451) 11.681 14.006 ( 2.240 0.000 -1.273) 2.576 14.268 ( -1.884 0.000 1.248) 2.260 14.284 ( -0.823 0.000 3.165) 3.271 14.520 ( -2.313 0.000 3.585) 4.266 14.533 ( -3.837 0.000 1.378) 4.077 14.730 ( 0.271 0.000 5.857) 5.863 14.862 ( 0.851 0.000 4.784) 4.859 20.456 ( 2.028 0.000 -0.759) 2.165 20.576 ( 2.156 0.000 -1.824) 2.824 20.863 ( -0.273 0.000 -0.368) 0.459 20.947 ( 1.672 0.000 2.965) 3.403 20.985 ( 1.960 0.000 -2.051) 2.837 21.074 ( -2.807 0.000 -5.135) 5.852 21.131 ( 0.993 0.000 0.284) 1.033 21.135 ( -2.302 0.000 -12.597) 12.806 21.235 ( -1.661 0.000 -1.543) 2.267 21.260 ( 4.149 0.000 -4.702) 6.271 21.698 ( 0.511 0.000 0.477) 0.699 21.752 ( 4.327 0.000 2.150) 4.832 21.891 ( -1.254 0.000 6.293) 6.417 22.032 ( 2.632 0.000 -2.285) 3.486 22.258 ( -2.593 0.000 -2.338) 3.491 22.414 ( -3.048 0.000 -4.595) 5.514 22.885 ( -4.008 0.000 -0.442) 4.032 22.998 ( 0.119 0.000 3.976) 3.978 22.998 ( -1.290 0.000 6.002) 6.139 23.043 ( 3.793 0.000 2.263) 4.417 23.179 ( -3.363 0.000 8.081) 8.753 23.179 ( -1.345 0.000 1.208) 1.808 23.264 ( -2.209 0.000 8.425) 8.710 23.405 ( -3.427 0.000 7.104) 7.887 23.903 ( -0.505 0.000 2.440) 2.491 23.991 ( 0.521 0.000 -1.407) 1.500 24.000 ( -0.699 0.000 0.659) 0.961 24.204 ( -0.702 0.000 -0.672) 0.972 24.241 ( 0.949 0.000 4.055) 4.165 24.377 ( 0.249 0.000 4.802) 4.809 24.434 ( 1.395 0.000 -2.042) 2.472 24.816 ( 0.066 0.000 -6.669) 6.669 ======================= Grid point 53 (28/63) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -14.582 0.000 -4.036) 15.131 0.547 ( -10.135 0.000 7.341) 12.514 0.924 ( 3.537 0.000 2.684) 4.440 0.940 ( 1.308 0.000 5.743) 5.890 0.969 ( -2.595 0.000 2.661) 3.717 1.083 ( 0.209 0.000 1.087) 1.107 1.116 ( 0.498 0.000 0.903) 1.031 1.227 ( 2.822 0.000 -1.726) 3.308 1.227 ( 0.275 0.000 1.290) 1.319 1.258 ( -1.113 0.000 1.272) 1.690 1.326 ( 3.723 0.000 3.549) 5.144 1.336 ( -0.854 0.000 -1.214) 1.484 1.352 ( 0.812 0.000 0.022) 0.812 1.405 ( -2.104 0.000 6.316) 6.657 1.422 ( -3.623 0.000 4.644) 5.890 1.466 ( 4.295 0.000 2.783) 5.118 1.531 ( 1.479 0.000 2.907) 3.262 1.541 ( -0.935 0.000 2.187) 2.379 1.631 ( -3.320 0.000 5.473) 6.402 1.671 ( 4.066 0.000 0.774) 4.139 1.716 ( -0.266 0.000 -3.171) 3.182 1.742 ( 0.706 0.000 1.074) 1.285 1.791 ( 0.437 0.000 0.831) 0.939 1.805 ( 1.914 0.000 1.512) 2.439 1.913 ( -5.870 0.000 5.783) 8.240 1.926 ( 0.716 0.000 -0.098) 0.723 2.027 ( 3.371 0.000 -2.629) 4.274 2.041 ( -6.089 0.000 6.962) 9.249 2.059 ( -5.775 0.000 14.214) 15.342 2.134 ( -1.638 0.000 9.165) 9.310 2.214 ( -4.467 0.000 -4.377) 6.254 2.341 ( -2.343 0.000 6.405) 6.820 2.378 ( -1.065 0.000 13.698) 13.739 2.433 ( -0.363 0.000 7.147) 7.156 2.543 ( -2.331 0.000 9.102) 9.395 2.566 ( 2.247 0.000 5.066) 5.542 2.641 ( -2.687 0.000 14.685) 14.929 2.706 ( -0.288 0.000 9.594) 9.598 2.785 ( -0.850 0.000 6.192) 6.250 2.883 ( -3.359 0.000 5.429) 6.384 2.921 ( -0.742 0.000 1.722) 1.875 2.988 ( -1.370 0.000 -0.372) 1.420 3.081 ( 1.017 0.000 -2.911) 3.084 3.281 ( 1.988 0.000 3.235) 3.797 3.314 ( 3.336 0.000 -4.956) 5.974 3.318 ( -0.150 0.000 2.283) 2.288 3.387 ( -0.654 0.000 -4.189) 4.239 3.500 ( -4.334 0.000 -7.339) 8.523 3.532 ( -2.446 0.000 -5.902) 6.389 3.619 ( -3.341 0.000 -5.867) 6.752 3.629 ( 1.348 0.000 -6.521) 6.659 3.778 ( 3.369 0.000 -4.046) 5.265 3.969 ( -0.470 0.000 -6.088) 6.106 4.009 ( -1.895 0.000 -2.591) 3.210 4.014 ( -0.858 0.000 -6.290) 6.348 4.169 ( -0.516 0.000 1.023) 1.145 4.196 ( 4.937 0.000 -6.335) 8.031 4.270 ( 3.854 0.000 -1.662) 4.197 4.319 ( -0.154 0.000 -3.874) 3.877 4.464 ( 2.937 0.000 -4.017) 4.976 4.551 ( 2.978 0.000 -3.394) 4.515 4.644 ( -1.493 0.000 -4.331) 4.581 4.684 ( -2.132 0.000 4.699) 5.160 4.857 ( 3.233 0.000 -3.276) 4.603 4.994 ( -1.415 0.000 3.756) 4.014 5.048 ( -0.634 0.000 5.823) 5.858 5.187 ( 0.463 0.000 6.840) 6.856 5.275 ( 0.053 0.000 2.290) 2.290 5.460 ( -0.342 0.000 3.901) 3.916 5.548 ( 2.123 0.000 -0.424) 2.165 5.738 ( -3.718 0.000 8.161) 8.969 6.023 ( -0.684 0.000 0.509) 0.852 6.351 ( -0.660 0.000 0.555) 0.862 6.403 ( -0.902 0.000 -1.342) 1.618 6.581 ( 0.650 0.000 3.324) 3.387 6.825 ( -1.239 0.000 0.755) 1.451 7.146 ( -0.246 0.000 3.899) 3.907 7.347 ( 1.392 0.000 -1.137) 1.798 7.447 ( -0.422 0.000 1.648) 1.701 7.623 ( 0.576 0.000 -4.748) 4.782 7.809 ( 1.851 0.000 -8.113) 8.321 7.921 ( 0.515 0.000 -5.192) 5.217 8.025 ( -0.495 0.000 -7.187) 7.204 8.038 ( 1.996 0.000 -13.287) 13.436 8.147 ( 0.153 0.000 -4.254) 4.257 8.189 ( 0.535 0.000 -2.421) 2.479 8.331 ( 2.175 0.000 -11.853) 12.051 8.404 ( 0.770 0.000 0.522) 0.931 8.754 ( -1.032 0.000 -0.369) 1.096 8.942 ( -0.316 0.000 -7.305) 7.312 8.995 ( 1.829 0.000 -8.277) 8.476 9.183 ( 2.080 0.000 -5.712) 6.079 9.558 ( 0.691 0.000 2.412) 2.509 9.637 ( 2.298 0.000 3.972) 4.588 9.936 ( -0.099 0.000 3.266) 3.268 10.147 ( -0.389 0.000 3.627) 3.648 10.278 ( -0.782 0.000 -2.178) 2.314 10.281 ( -2.586 0.000 3.615) 4.445 10.367 ( -1.502 0.000 0.975) 1.791 10.408 ( 1.145 0.000 2.421) 2.678 10.861 ( -0.930 0.000 10.087) 10.130 11.642 ( 2.166 0.000 -3.232) 3.891 11.704 ( 0.354 0.000 -4.192) 4.207 11.866 ( 3.207 0.000 -9.099) 9.647 11.901 ( -2.739 0.000 -1.290) 3.027 12.006 ( 1.023 0.000 -10.471) 10.521 12.067 ( 3.716 0.000 -12.447) 12.990 12.177 ( -0.482 0.000 -10.694) 10.704 12.363 ( 8.475 0.000 3.463) 9.155 12.751 ( 0.496 0.000 -3.205) 3.243 12.770 ( -6.504 0.000 -6.968) 9.532 12.893 ( -0.664 0.000 0.453) 0.804 13.171 ( -0.145 0.000 5.434) 5.436 13.542 ( 0.536 0.000 -4.980) 5.009 13.649 ( -0.469 0.000 -0.292) 0.552 13.870 ( 0.708 0.000 -2.496) 2.594 14.056 ( 2.344 0.000 2.248) 3.247 14.119 ( 4.589 0.000 7.477) 8.773 14.218 ( -0.708 0.000 2.222) 2.332 14.284 ( -0.322 0.000 5.347) 5.357 14.460 ( -3.872 0.000 -0.287) 3.883 14.485 ( -1.979 0.000 3.349) 3.890 14.747 ( -0.926 0.000 6.735) 6.799 14.872 ( -1.386 0.000 4.138) 4.364 20.514 ( 3.433 0.000 0.186) 3.438 20.623 ( 2.601 0.000 -0.836) 2.732 20.780 ( -5.301 0.000 -0.413) 5.317 20.987 ( -2.144 0.000 -4.465) 4.953 21.010 ( 0.802 0.000 -4.109) 4.186 21.033 ( -2.598 0.000 -8.832) 9.207 21.062 ( 4.529 0.000 1.866) 4.898 21.141 ( -0.031 0.000 0.036) 0.047 21.200 ( -0.618 0.000 -3.348) 3.404 21.344 ( 4.583 0.000 -4.613) 6.502 21.726 ( 2.041 0.000 0.363) 2.073 21.811 ( 0.495 0.000 -1.668) 1.739 21.858 ( -3.768 0.000 6.270) 7.315 22.101 ( 3.823 0.000 -2.323) 4.473 22.199 ( -2.001 0.000 -0.096) 2.003 22.326 ( -3.525 0.000 -2.240) 4.176 22.818 ( -2.060 0.000 0.951) 2.269 22.982 ( -1.486 0.000 1.889) 2.403 23.022 ( 1.359 0.000 2.442) 2.794 23.114 ( 1.087 0.000 -3.194) 3.374 23.158 ( -1.412 0.000 9.292) 9.399 23.162 ( -0.635 0.000 9.020) 9.043 23.239 ( -2.903 0.000 7.615) 8.150 23.407 ( 1.025 0.000 8.759) 8.819 23.898 ( -0.659 0.000 1.954) 2.062 23.954 ( -2.836 0.000 0.147) 2.839 23.991 ( -0.542 0.000 1.072) 1.201 24.215 ( -3.281 0.000 2.765) 4.291 24.256 ( 5.028 0.000 -4.285) 6.606 24.436 ( 2.192 0.000 5.857) 6.254 24.481 ( 3.958 0.000 0.513) 3.991 24.788 ( -0.458 0.000 -8.032) 8.045 ======================= Grid point 54 (29/63) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( -5.831 0.000 8.109) 9.987 0.437 ( -3.346 0.000 13.456) 13.866 0.934 ( 0.030 0.000 0.870) 0.871 0.964 ( 0.288 0.000 2.086) 2.106 0.982 ( 0.185 0.000 2.387) 2.394 1.098 ( 0.169 0.000 3.210) 3.215 1.129 ( 0.504 0.000 2.018) 2.081 1.179 ( -5.142 0.000 7.500) 9.093 1.250 ( 0.236 0.000 -0.626) 0.669 1.281 ( 0.655 0.000 0.253) 0.702 1.312 ( -0.689 0.000 -2.490) 2.584 1.331 ( 0.931 0.000 0.534) 1.074 1.412 ( -0.461 0.000 5.054) 5.075 1.418 ( -0.109 0.000 6.457) 6.457 1.443 ( 3.350 0.000 5.714) 6.623 1.517 ( -0.029 0.000 0.535) 0.536 1.562 ( 0.619 0.000 5.671) 5.705 1.572 ( 2.354 0.000 1.768) 2.944 1.604 ( 0.902 0.000 1.139) 1.453 1.713 ( -2.921 0.000 -0.936) 3.067 1.721 ( 1.855 0.000 -2.672) 3.253 1.768 ( 3.669 0.000 2.981) 4.728 1.817 ( -0.904 0.000 2.537) 2.693 1.827 ( -5.006 0.000 9.346) 10.602 1.853 ( 5.881 0.000 -3.814) 7.010 1.939 ( -0.243 0.000 -0.498) 0.554 1.998 ( 0.723 0.000 4.209) 4.271 2.006 ( -4.299 0.000 13.981) 14.627 2.066 ( -7.738 0.000 -2.458) 8.119 2.071 ( 3.747 0.000 -1.287) 3.962 2.152 ( 0.144 0.000 4.970) 4.973 2.320 ( -1.869 0.000 8.238) 8.447 2.358 ( -5.520 0.000 11.847) 13.070 2.445 ( -0.819 0.000 6.426) 6.478 2.502 ( -5.011 0.000 8.989) 10.292 2.561 ( -2.231 0.000 5.737) 6.155 2.633 ( -4.182 0.000 20.515) 20.937 2.742 ( -4.252 0.000 -1.691) 4.576 2.791 ( 2.779 0.000 8.396) 8.844 2.832 ( -1.477 0.000 8.352) 8.482 2.897 ( -0.582 0.000 -2.555) 2.620 2.997 ( 0.472 0.000 0.929) 1.042 3.093 ( -0.104 0.000 -2.014) 2.017 3.260 ( -1.545 0.000 -2.609) 3.033 3.282 ( -6.071 0.000 -0.893) 6.137 3.288 ( -1.375 0.000 1.635) 2.137 3.384 ( -0.433 0.000 -5.160) 5.178 3.479 ( 1.578 0.000 -5.744) 5.956 3.505 ( 4.735 0.000 -3.069) 5.643 3.543 ( -2.550 0.000 -3.738) 4.525 3.701 ( 7.943 0.000 -7.602) 10.995 3.803 ( -0.100 0.000 -1.259) 1.263 3.877 ( -4.482 0.000 -3.685) 5.803 3.987 ( 1.221 0.000 -4.239) 4.412 3.988 ( -1.450 0.000 -3.868) 4.131 4.156 ( -1.189 0.000 1.180) 1.675 4.233 ( -0.104 0.000 -7.343) 7.344 4.302 ( 0.292 0.000 -3.180) 3.194 4.327 ( 1.732 0.000 -1.572) 2.339 4.442 ( -3.666 0.000 -3.705) 5.212 4.556 ( -0.318 0.000 -4.078) 4.090 4.595 ( -1.041 0.000 -5.093) 5.199 4.721 ( 2.833 0.000 4.258) 5.114 4.930 ( 4.394 0.000 -2.615) 5.113 5.007 ( 1.453 0.000 4.693) 4.913 5.101 ( 3.736 0.000 4.661) 5.973 5.188 ( -2.695 0.000 6.420) 6.963 5.282 ( -0.254 0.000 2.251) 2.265 5.455 ( -1.552 0.000 2.598) 3.026 5.512 ( -5.237 0.000 0.192) 5.241 5.730 ( 0.167 0.000 7.830) 7.832 5.998 ( -1.762 0.000 0.056) 1.763 6.350 ( 0.370 0.000 0.281) 0.465 6.366 ( -2.092 0.000 -0.949) 2.297 6.601 ( 0.131 0.000 2.878) 2.881 6.776 ( -3.269 0.000 1.645) 3.659 7.149 ( -0.643 0.000 2.808) 2.881 7.366 ( 0.715 0.000 -1.562) 1.718 7.435 ( -1.002 0.000 0.942) 1.376 7.631 ( 1.354 0.000 -3.229) 3.502 7.828 ( 2.347 0.000 -6.269) 6.693 7.928 ( 1.869 0.000 -4.666) 5.026 7.973 ( -2.010 0.000 -4.693) 5.105 8.028 ( 1.612 0.000 -13.646) 13.741 8.146 ( 1.641 0.000 -7.052) 7.240 8.199 ( 1.382 0.000 -3.370) 3.642 8.340 ( 2.563 0.000 -11.884) 12.158 8.415 ( -0.326 0.000 1.647) 1.679 8.749 ( 0.781 0.000 1.047) 1.306 8.945 ( 2.874 0.000 -7.161) 7.717 8.987 ( -0.118 0.000 -7.419) 7.420 9.201 ( 1.592 0.000 -5.942) 6.151 9.599 ( 2.063 0.000 2.943) 3.594 9.702 ( 2.154 0.000 3.702) 4.283 9.950 ( 0.329 0.000 2.704) 2.724 10.150 ( -0.283 0.000 1.779) 1.802 10.223 ( -4.093 0.000 5.327) 6.718 10.242 ( -1.833 0.000 -0.880) 2.033 10.337 ( -1.274 0.000 -0.246) 1.298 10.432 ( 0.647 0.000 0.639) 0.909 10.886 ( -0.218 0.000 9.118) 9.121 11.680 ( 2.198 0.000 -1.625) 2.733 11.705 ( 1.249 0.000 -5.209) 5.357 11.842 ( -2.821 0.000 -0.580) 2.880 11.903 ( 3.327 0.000 -8.744) 9.356 12.000 ( 2.124 0.000 -11.704) 11.895 12.070 ( -0.872 0.000 -9.118) 9.160 12.144 ( 2.578 0.000 -13.632) 13.873 12.486 ( -0.544 0.000 -3.979) 4.016 12.692 ( 3.914 0.000 2.121) 4.452 12.747 ( 0.059 0.000 -2.296) 2.296 12.898 ( 1.034 0.000 -0.065) 1.036 13.177 ( -0.907 0.000 2.749) 2.895 13.517 ( -1.203 0.000 -3.510) 3.711 13.615 ( -2.737 0.000 -0.377) 2.763 13.892 ( 2.738 0.000 -6.959) 7.479 14.067 ( -6.142 0.000 3.700) 7.170 14.091 ( -0.796 0.000 5.615) 5.671 14.312 ( 1.222 0.000 2.165) 2.486 14.323 ( 2.279 0.000 8.100) 8.415 14.380 ( -3.245 0.000 -2.756) 4.257 14.510 ( 4.908 0.000 7.163) 8.683 14.739 ( -1.897 0.000 6.473) 6.745 14.834 ( -3.526 0.000 2.694) 4.438 20.562 ( 0.133 0.000 -0.614) 0.628 20.647 ( -0.266 0.000 -2.246) 2.261 20.687 ( -2.901 0.000 0.515) 2.946 20.957 ( 1.539 0.000 -5.484) 5.696 20.970 ( 0.701 0.000 -7.107) 7.142 21.022 ( 0.380 0.000 -3.085) 3.109 21.106 ( -1.547 0.000 2.730) 3.138 21.159 ( 2.154 0.000 -0.271) 2.171 21.189 ( 0.484 0.000 -2.058) 2.114 21.390 ( 1.717 0.000 -6.404) 6.630 21.747 ( -4.862 0.000 -4.493) 6.620 21.768 ( 0.242 0.000 4.068) 4.075 21.804 ( -1.800 0.000 1.981) 2.677 22.130 ( -0.339 0.000 -2.861) 2.881 22.217 ( 3.760 0.000 -1.953) 4.237 22.291 ( 0.885 0.000 1.631) 1.855 22.826 ( 1.984 0.000 3.123) 3.700 22.942 ( -2.872 0.000 0.008) 2.872 23.062 ( 1.592 0.000 0.437) 1.650 23.090 ( -1.599 0.000 1.715) 2.345 23.188 ( 1.045 0.000 9.786) 9.842 23.191 ( -0.183 0.000 6.516) 6.518 23.207 ( -2.468 0.000 7.610) 8.000 23.485 ( 2.971 0.000 7.383) 7.959 23.897 ( -0.020 0.000 1.533) 1.533 23.910 ( -1.582 0.000 1.785) 2.385 23.989 ( 0.154 0.000 1.836) 1.842 24.151 ( -3.950 0.000 2.418) 4.632 24.330 ( 3.933 0.000 -6.924) 7.963 24.474 ( -0.476 0.000 6.145) 6.164 24.588 ( 4.672 0.000 0.260) 4.679 24.747 ( 0.023 0.000 -8.379) 8.379 ======================= Grid point 55 (30/63) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 3.238 7.165 8.832) 11.825 0.612 ( 5.683 5.112 9.365) 12.089 0.872 ( 0.446 -5.851 4.933) 7.666 0.978 ( -1.184 -5.610 2.598) 6.295 1.021 ( -1.995 1.915 5.651) 6.291 1.066 ( 0.651 -1.453 4.264) 4.551 1.092 ( -1.868 -1.166 2.799) 3.562 1.159 ( -2.300 1.342 1.998) 3.329 1.175 ( -0.723 -3.028 1.569) 3.486 1.221 ( -0.458 -3.769 1.085) 3.949 1.295 ( -0.699 1.480 0.522) 1.718 1.343 ( -4.409 -1.302 4.107) 6.165 1.385 ( 0.817 1.823 0.974) 2.223 1.425 ( -0.794 -0.516 1.687) 1.935 1.447 ( -0.385 -1.677 0.942) 1.962 1.519 ( -1.594 -3.023 2.191) 4.060 1.545 ( 2.115 0.059 -1.374) 2.523 1.625 ( 1.070 0.945 5.275) 5.465 1.637 ( -3.914 -5.984 -0.076) 7.151 1.651 ( -1.381 0.330 -0.713) 1.589 1.696 ( 2.860 -1.257 -0.351) 3.144 1.765 ( 1.877 -4.752 5.204) 7.292 1.812 ( 0.156 0.041 0.979) 0.992 1.848 ( -3.174 6.291 7.177) 10.058 1.861 ( -1.739 -3.272 2.431) 4.432 1.898 ( -0.023 1.725 5.676) 5.932 1.984 ( 4.281 -1.074 0.900) 4.504 2.055 ( 0.581 3.225 6.422) 7.209 2.104 ( 3.744 3.290 7.483) 8.991 2.196 ( 2.703 1.344 6.659) 7.311 2.255 ( -0.906 4.167 3.015) 5.222 2.302 ( -6.723 2.772 11.131) 13.296 2.326 ( -0.352 1.460 2.703) 3.092 2.408 ( -2.831 -1.477 10.363) 10.843 2.505 ( 0.080 1.102 -0.521) 1.221 2.614 ( -3.985 4.915 9.202) 11.168 2.634 ( -2.531 2.754 7.594) 8.466 2.696 ( -2.254 0.822 5.182) 5.711 2.757 ( -0.287 0.205 5.216) 5.227 2.817 ( -0.569 -1.518 5.512) 5.746 2.924 ( 1.340 -7.826 -1.286) 8.043 2.997 ( 1.731 2.001 -1.489) 3.036 3.106 ( -0.139 0.717 1.828) 1.968 3.146 ( -0.169 -2.337 -3.867) 4.522 3.182 ( 3.833 -0.885 -0.837) 4.022 3.344 ( 4.303 -3.500 1.009) 5.637 3.381 ( 2.535 0.498 -4.976) 5.606 3.480 ( -2.007 3.712 -1.498) 4.478 3.497 ( 1.654 1.564 -5.635) 6.078 3.640 ( 0.373 0.274 -3.227) 3.260 3.712 ( -1.281 -0.168 -4.417) 4.602 3.801 ( -1.536 0.832 -0.680) 1.875 3.868 ( -2.399 -3.068 -0.081) 3.896 3.964 ( 5.095 3.180 -3.688) 7.048 4.020 ( -0.706 -5.601 -2.425) 6.144 4.137 ( 1.484 5.885 -3.077) 6.805 4.154 ( -1.046 -1.293 -7.644) 7.823 4.238 ( -1.526 -2.512 -2.434) 3.816 4.304 ( -2.898 -1.825 -4.035) 5.293 4.371 ( -1.613 0.587 -0.792) 1.891 4.535 ( 1.040 1.567 -3.733) 4.181 4.637 ( 1.447 3.181 -4.213) 5.474 4.773 ( 1.761 -1.168 1.157) 2.409 4.857 ( 1.664 -8.576 -1.858) 8.931 5.069 ( -2.177 -2.710 4.037) 5.327 5.072 ( -2.243 -3.045 7.240) 8.168 5.187 ( -0.795 -0.061 5.294) 5.354 5.236 ( -0.621 -1.943 4.769) 5.187 5.446 ( 1.902 6.298 2.036) 6.887 5.535 ( -2.987 4.761 1.837) 5.913 5.795 ( -0.453 2.845 5.245) 5.985 5.952 ( -0.568 -2.532 1.076) 2.809 6.368 ( 0.464 3.432 1.706) 3.861 6.467 ( -0.666 7.484 -1.330) 7.631 6.555 ( -0.767 -3.037 3.011) 4.345 6.731 ( -1.080 -1.173 0.147) 1.601 7.127 ( -0.505 0.157 3.086) 3.131 7.319 ( -1.622 -4.590 0.044) 4.868 7.462 ( 0.007 4.123 -1.780) 4.491 7.620 ( 0.442 -2.003 -3.446) 4.011 7.887 ( 1.200 2.435 -4.029) 4.858 7.935 ( 0.018 0.647 -2.326) 2.414 7.968 ( 3.151 -0.902 -8.263) 8.889 8.012 ( 2.947 -0.708 -15.497) 15.790 8.174 ( 1.823 1.240 -6.180) 6.561 8.216 ( 0.960 -0.018 -3.682) 3.806 8.340 ( 1.009 0.105 -9.376) 9.431 8.387 ( -0.414 -1.471 -0.580) 1.635 8.806 ( 2.212 0.704 0.052) 2.322 8.886 ( -0.446 -3.545 -5.232) 6.335 9.045 ( 1.604 5.016 -4.222) 6.750 9.264 ( 0.388 1.939 -4.457) 4.876 9.563 ( -0.325 -3.062 2.835) 4.185 9.692 ( -1.922 -2.559 1.321) 3.462 10.018 ( 0.449 3.709 2.158) 4.314 10.113 ( 2.303 -1.692 2.444) 3.760 10.200 ( -0.356 0.959 1.785) 2.057 10.236 ( -0.638 0.768 -0.236) 1.026 10.292 ( 0.138 -1.915 0.414) 1.964 10.395 ( -1.463 -2.999 0.942) 3.467 10.970 ( -1.280 6.974 9.404) 11.778 11.523 ( 1.116 -14.319 3.741) 14.842 11.717 ( 0.317 0.023 -2.004) 2.029 11.742 ( -1.225 -1.952 -0.808) 2.442 11.958 ( 1.558 2.180 -13.362) 13.628 12.028 ( -1.421 0.750 -12.177) 12.282 12.114 ( 2.561 4.308 -13.027) 13.958 12.168 ( 2.440 0.001 -12.882) 13.111 12.478 ( -1.887 9.278 -2.215) 9.723 12.728 ( 2.034 0.089 1.446) 2.497 12.887 ( 2.168 0.220 -0.033) 2.179 12.956 ( 0.276 1.507 -2.280) 2.747 13.148 ( -1.151 0.414 3.392) 3.606 13.393 ( 0.724 -6.478 -0.504) 6.538 13.521 ( -0.238 -3.148 -4.258) 5.301 13.688 ( 0.145 -12.346 -4.801) 13.247 14.022 ( -1.560 1.956 7.136) 7.562 14.063 ( -4.018 0.204 6.084) 7.294 14.303 ( 0.492 2.481 4.230) 4.929 14.405 ( -1.999 0.664 5.626) 6.007 14.485 ( 2.733 7.041 1.238) 7.654 14.670 ( -1.177 -2.868 3.407) 4.607 14.682 ( 1.179 2.347 4.545) 5.249 14.789 ( -2.360 0.295 2.535) 3.476 20.525 ( -2.405 1.323 -1.831) 3.299 20.581 ( -0.861 -1.476 -1.712) 2.419 20.738 ( -0.130 3.299 -1.805) 3.763 20.890 ( -0.903 -3.936 -3.936) 5.639 21.011 ( 2.603 -0.534 -2.223) 3.465 21.032 ( 2.073 -0.696 -3.003) 3.715 21.153 ( 1.271 4.478 -1.731) 4.966 21.183 ( -0.514 1.719 -3.466) 3.903 21.241 ( 1.361 2.477 -1.212) 3.076 21.384 ( -1.517 -0.989 -7.299) 7.521 21.640 ( -0.228 0.841 -0.572) 1.043 21.743 ( -2.914 0.995 4.900) 5.787 21.815 ( 2.091 -1.839 0.916) 2.932 21.934 ( -3.693 -9.106 -0.444) 9.836 22.352 ( 3.255 3.228 -5.422) 7.101 22.376 ( 5.509 -0.263 -0.335) 5.525 22.896 ( 0.463 1.926 4.693) 5.094 22.967 ( 0.333 3.813 -0.064) 3.829 23.022 ( -0.511 -2.666 3.936) 4.782 23.063 ( -2.914 -0.775 0.215) 3.023 23.206 ( -1.465 1.222 5.863) 6.166 23.228 ( 0.079 1.020 6.591) 6.670 23.257 ( 0.984 1.180 8.614) 8.750 23.440 ( -0.613 -6.456 7.130) 9.638 23.910 ( 0.897 1.145 2.047) 2.511 23.947 ( -1.786 1.765 1.507) 2.928 24.020 ( 3.296 -0.760 0.827) 3.482 24.061 ( -2.873 -1.510 2.079) 3.855 24.425 ( 1.935 5.177 -6.422) 8.473 24.467 ( -3.288 1.415 3.718) 5.161 24.560 ( -5.686 0.895 -2.496) 6.274 24.739 ( 3.798 -4.835 -4.651) 7.710 ======================= Grid point 56 (31/63) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 5.464 -0.601 9.054) 10.592 0.775 ( 5.150 -1.643 6.395) 8.374 0.871 ( -1.714 -4.797 4.880) 7.054 0.932 ( -3.899 -5.240 5.781) 8.722 1.005 ( -2.709 1.589 2.617) 4.088 1.074 ( 0.084 -0.397 1.915) 1.958 1.084 ( 0.246 0.941 5.695) 5.777 1.131 ( -1.926 -1.387 2.862) 3.718 1.182 ( -1.719 -1.726 0.738) 2.546 1.199 ( 1.544 -0.043 2.095) 2.603 1.301 ( 1.146 -1.836 1.025) 2.395 1.330 ( 1.085 1.052 1.085) 1.861 1.344 ( -4.578 0.215 2.118) 5.049 1.405 ( -0.994 1.429 -2.497) 3.044 1.424 ( -3.597 -3.631 -0.756) 5.167 1.484 ( -0.107 -3.546 1.347) 3.794 1.556 ( -1.362 1.351 2.501) 3.152 1.611 ( 0.072 0.076 2.793) 2.795 1.623 ( 0.412 0.225 1.586) 1.654 1.680 ( 1.800 0.304 2.158) 2.826 1.724 ( -0.226 -0.918 0.305) 0.993 1.738 ( -3.930 -3.614 3.343) 6.299 1.799 ( -3.178 5.114 3.369) 6.900 1.818 ( -1.420 -1.892 1.527) 2.816 1.886 ( 2.360 -1.876 3.461) 4.590 1.920 ( 0.150 2.125 4.923) 5.364 2.048 ( 1.196 -0.529 1.278) 1.829 2.070 ( -0.307 2.043 5.970) 6.318 2.174 ( -2.425 2.912 9.267) 10.012 2.220 ( -2.603 -1.027 10.212) 10.589 2.257 ( 1.078 2.063 6.189) 6.612 2.273 ( -1.952 0.233 3.757) 4.240 2.312 ( 1.549 1.776 4.077) 4.709 2.408 ( 0.032 1.287 11.027) 11.102 2.479 ( -3.848 -2.510 -0.399) 4.612 2.590 ( 0.587 6.710 2.335) 7.129 2.624 ( -1.958 2.091 13.217) 13.524 2.698 ( 0.246 -2.082 6.583) 6.909 2.783 ( 0.657 2.793 2.909) 4.086 2.811 ( -1.296 -2.836 6.526) 7.233 2.928 ( -0.914 -1.642 0.980) 2.119 3.019 ( 0.012 -2.582 -0.794) 2.702 3.108 ( 1.318 4.322 0.712) 4.574 3.146 ( 1.168 -0.562 -0.838) 1.544 3.356 ( 8.548 -4.856 -5.305) 11.170 3.381 ( 0.006 1.758 -5.193) 5.483 3.410 ( -1.070 1.848 -3.027) 3.704 3.475 ( 4.874 -4.024 1.261) 6.445 3.544 ( -0.967 -0.515 -1.783) 2.093 3.623 ( 5.233 0.629 -5.650) 7.727 3.718 ( 1.924 3.301 -5.693) 6.857 3.757 ( 0.005 0.773 -2.675) 2.784 3.847 ( -0.141 1.600 1.087) 1.939 3.996 ( -0.666 -5.174 -3.032) 6.033 4.042 ( 3.838 -1.287 -5.147) 6.548 4.118 ( 1.085 0.535 -8.030) 8.120 4.172 ( -0.530 2.614 -1.203) 2.926 4.200 ( -1.584 -3.336 -1.727) 4.076 4.251 ( 2.298 -0.803 -5.997) 6.472 4.358 ( 0.454 2.302 -0.275) 2.363 4.550 ( 1.201 2.483 -2.680) 3.846 4.660 ( 2.383 3.053 -5.346) 6.602 4.770 ( -2.363 -4.231 0.896) 4.928 4.873 ( 0.365 -5.228 -2.715) 5.903 5.019 ( -2.489 -1.812 6.641) 7.320 5.095 ( 0.575 -2.948 6.280) 6.961 5.174 ( -1.870 -0.499 6.031) 6.334 5.225 ( -2.244 -0.712 3.800) 4.470 5.448 ( -4.236 5.062 2.849) 7.189 5.500 ( 1.229 5.807 2.052) 6.280 5.802 ( -0.692 1.467 4.932) 5.192 5.959 ( 0.768 -3.369 1.159) 3.645 6.370 ( -0.920 1.887 1.953) 2.867 6.468 ( 0.896 4.437 -0.572) 4.563 6.541 ( -1.173 -0.530 1.945) 2.332 6.737 ( 1.611 -1.346 0.010) 2.100 7.140 ( 0.567 1.192 3.383) 3.631 7.297 ( -0.346 -3.684 0.024) 3.700 7.455 ( -0.021 3.207 -1.209) 3.427 7.615 ( 0.396 -2.558 -4.214) 4.946 7.879 ( -0.046 2.711 -6.575) 7.112 7.933 ( 0.222 -0.109 -1.977) 1.992 7.997 ( 2.595 -1.384 -8.963) 9.434 8.029 ( 3.213 -0.845 -13.789) 14.184 8.191 ( 1.346 1.204 -4.869) 5.193 8.218 ( 0.234 0.544 -1.785) 1.880 8.327 ( 1.326 0.303 -9.613) 9.708 8.385 ( 0.567 -1.090 -2.687) 2.955 8.839 ( 0.021 1.132 -0.589) 1.276 8.877 ( 2.397 -2.862 -5.765) 6.868 9.057 ( 0.808 2.919 -4.237) 5.208 9.241 ( -0.930 1.492 -4.506) 4.837 9.558 ( -0.577 -1.112 1.615) 2.045 9.653 ( -2.496 0.223 1.748) 3.056 9.970 ( -4.536 1.764 3.263) 5.859 10.144 ( -0.659 -1.606 3.512) 3.918 10.216 ( 1.367 0.684 0.290) 1.556 10.266 ( 2.657 -0.245 -2.174) 3.442 10.309 ( 1.007 -2.111 1.144) 2.603 10.369 ( -0.901 -2.695 2.217) 3.604 10.975 ( -1.595 8.605 10.427) 13.613 11.541 ( -0.836 -11.241 3.417) 11.779 11.707 ( 0.386 -1.483 -0.792) 1.725 11.731 ( -0.410 -3.206 -0.904) 3.356 11.949 ( 1.505 0.414 -12.785) 12.880 11.992 ( 2.735 1.125 -9.756) 10.194 12.107 ( 1.530 2.850 -15.023) 15.367 12.163 ( 1.549 -0.802 -12.703) 12.822 12.435 ( -1.293 13.575 -3.024) 13.967 12.756 ( 0.729 1.231 0.033) 1.431 12.934 ( -1.279 -2.011 -2.879) 3.737 12.947 ( 2.374 -2.584 4.280) 5.535 13.138 ( -1.417 1.763 3.251) 3.960 13.412 ( 1.542 -5.097 -2.697) 5.970 13.520 ( 1.391 -4.609 -3.452) 5.924 13.673 ( 0.149 -10.925 -3.602) 11.504 14.001 ( -3.812 1.895 6.780) 8.006 14.056 ( 2.206 1.821 6.067) 6.707 14.298 ( -1.672 3.313 1.984) 4.208 14.373 ( -1.347 3.068 3.761) 5.037 14.552 ( -2.394 3.195 2.145) 4.532 14.612 ( 1.206 2.147 5.588) 6.107 14.753 ( -1.622 0.667 1.473) 2.290 14.782 ( 3.300 -1.733 5.000) 6.236 20.479 ( -1.102 2.270 -1.996) 3.217 20.554 ( -0.398 -0.853 -2.380) 2.560 20.785 ( 4.490 0.953 0.301) 4.600 20.892 ( 1.778 -4.063 -1.943) 4.842 21.008 ( -1.649 0.569 -1.442) 2.263 21.061 ( 1.131 -2.058 -1.579) 2.830 21.139 ( -1.321 2.223 -5.231) 5.836 21.205 ( 3.239 2.214 -5.696) 6.916 21.263 ( 1.391 3.244 -3.075) 4.681 21.318 ( -2.446 0.147 -4.316) 4.963 21.640 ( -0.272 -0.543 1.621) 1.732 21.747 ( 1.599 3.114 2.666) 4.401 21.850 ( 1.517 -3.642 -1.616) 4.264 21.885 ( -1.632 -7.635 5.195) 9.377 22.367 ( -0.386 3.531 -4.229) 5.523 22.440 ( 1.435 -0.698 -5.101) 5.345 22.931 ( 1.527 0.900 5.976) 6.234 22.972 ( -1.276 1.283 -0.217) 1.823 23.006 ( -1.714 -0.627 0.585) 1.916 23.020 ( -1.130 -0.959 4.582) 4.816 23.190 ( -2.050 0.920 6.108) 6.508 23.240 ( -1.008 0.766 5.264) 5.414 23.279 ( -1.642 1.170 8.007) 8.257 23.419 ( -3.549 -4.489 6.346) 8.545 23.920 ( -0.941 1.205 1.917) 2.452 23.950 ( 1.433 0.095 1.481) 2.063 24.023 ( -0.074 0.594 0.316) 0.676 24.119 ( 4.783 -2.357 3.094) 6.165 24.349 ( -5.866 3.484 -0.950) 6.888 24.438 ( -4.775 0.410 0.825) 4.863 24.470 ( 1.150 5.573 -1.750) 5.953 24.770 ( 1.198 -5.141 -5.246) 7.442 ======================= Grid point 57 (32/63) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -5.034 -1.995 2.727) 6.063 0.786 ( 2.976 -1.686 4.969) 6.032 0.862 ( -5.275 -1.116 3.343) 6.344 0.929 ( 1.250 -3.350 6.761) 7.648 0.961 ( -1.786 5.719 6.129) 8.571 1.064 ( -0.593 -1.021 1.068) 1.592 1.094 ( -1.329 -1.413 0.053) 1.940 1.141 ( 2.859 -2.752 1.853) 4.380 1.170 ( 0.217 -2.343 3.802) 4.471 1.249 ( -0.462 -1.554 1.334) 2.100 1.278 ( 0.114 0.269 1.484) 1.512 1.297 ( -2.335 -1.231 -0.929) 2.798 1.355 ( 1.742 1.528 -2.883) 3.699 1.371 ( 0.006 -4.435 2.995) 5.351 1.413 ( 2.408 -0.021 -0.236) 2.420 1.481 ( -1.397 0.478 0.859) 1.708 1.541 ( -1.824 1.603 4.249) 4.894 1.592 ( -1.914 1.364 -1.920) 3.035 1.649 ( 0.406 0.571 4.970) 5.020 1.678 ( -1.653 -0.510 4.352) 4.683 1.715 ( -0.521 -1.446 2.531) 2.962 1.735 ( 1.758 -2.204 -2.706) 3.908 1.757 ( -3.078 3.907 1.140) 5.103 1.781 ( 0.158 0.165 2.298) 2.309 1.916 ( -1.460 -3.064 1.220) 3.607 1.926 ( -0.790 1.493 4.692) 4.987 2.033 ( -2.003 1.989 2.012) 3.466 2.098 ( -1.453 -1.982 11.182) 11.449 2.136 ( -4.115 0.346 11.796) 12.498 2.169 ( -5.164 0.835 9.718) 11.037 2.224 ( -0.686 0.000 0.131) 0.698 2.333 ( 1.480 -0.997 4.414) 4.761 2.380 ( -2.318 -1.499 12.519) 12.820 2.398 ( 0.217 -0.871 2.241) 2.414 2.471 ( 2.485 1.737 8.562) 9.083 2.599 ( -0.749 6.063 7.341) 9.550 2.656 ( 0.134 2.140 8.428) 8.697 2.737 ( 0.735 -2.342 9.010) 9.338 2.769 ( -1.698 2.202 4.388) 5.195 2.836 ( 0.208 -7.067 2.471) 7.490 2.908 ( -1.253 2.372 3.743) 4.605 2.975 ( -3.244 -6.245 -2.650) 7.520 3.124 ( -0.479 4.193 1.302) 4.416 3.212 ( 3.850 3.131 2.566) 5.587 3.310 ( -2.507 0.425 -5.235) 5.820 3.362 ( -0.914 0.944 -4.239) 4.438 3.481 ( -0.542 3.630 -0.556) 3.712 3.511 ( 3.234 -0.114 -3.148) 4.515 3.557 ( 2.510 -5.593 -3.732) 7.177 3.645 ( -0.870 1.942 -5.431) 5.834 3.733 ( 0.334 1.029 -5.355) 5.463 3.801 ( 2.122 3.286 -2.692) 4.748 3.906 ( 5.245 1.388 -8.884) 10.410 3.981 ( 2.040 -2.891 -2.876) 4.560 4.086 ( 2.474 0.429 -7.046) 7.480 4.119 ( -2.060 -1.834 -2.058) 3.441 4.139 ( 0.453 -3.309 -2.636) 4.255 4.170 ( 2.377 -2.081 -4.215) 5.268 4.333 ( 3.654 1.859 -2.973) 5.064 4.386 ( 3.160 0.977 -1.531) 3.644 4.565 ( 1.219 3.784 -1.059) 4.114 4.683 ( 1.279 2.081 -5.546) 6.060 4.717 ( -2.934 -3.121 1.853) 4.667 4.826 ( -3.456 -2.481 -1.838) 4.634 5.013 ( -0.175 0.234 4.156) 4.167 5.118 ( -2.911 0.756 5.973) 6.688 5.148 ( -0.773 1.415 6.880) 7.066 5.226 ( 1.559 -3.733 2.953) 5.009 5.402 ( -0.797 -0.175 4.113) 4.193 5.511 ( -0.911 0.660 0.711) 1.331 5.802 ( -1.111 2.297 5.742) 6.284 5.979 ( 0.574 -3.650 1.371) 3.941 6.349 ( -1.646 0.539 2.129) 2.744 6.489 ( 1.026 -0.878 1.603) 2.096 6.529 ( -0.423 3.587 0.127) 3.614 6.781 ( 2.256 -2.777 -0.782) 3.662 7.162 ( 0.206 2.530 3.628) 4.428 7.309 ( 1.336 -2.714 0.813) 3.132 7.455 ( 0.258 2.635 -0.710) 2.742 7.609 ( 0.562 -2.412 -4.733) 5.342 7.855 ( 0.252 3.051 -7.219) 7.841 7.926 ( -0.100 -0.533 -2.686) 2.740 8.009 ( 1.915 -1.452 -10.833) 11.097 8.036 ( 2.155 -0.992 -13.711) 13.914 8.190 ( 0.204 1.740 -4.059) 4.421 8.216 ( -0.059 1.513 -0.562) 1.615 8.330 ( 2.053 0.325 -10.367) 10.573 8.389 ( 0.681 -0.702 -2.218) 2.424 8.821 ( -1.136 2.935 -0.414) 3.174 8.919 ( 3.157 -2.540 -6.187) 7.395 9.038 ( -1.203 2.889 -5.309) 6.162 9.217 ( 0.570 1.155 -4.628) 4.804 9.555 ( -0.378 1.581 0.149) 1.633 9.620 ( -0.713 1.258 2.610) 2.983 9.908 ( -2.459 -1.367 4.477) 5.287 10.120 ( -2.619 -5.052 3.707) 6.791 10.238 ( 0.580 -0.082 -0.267) 0.644 10.295 ( 1.020 -2.224 -1.321) 2.781 10.322 ( 0.102 -1.085 1.393) 1.769 10.385 ( 1.121 -1.270 1.128) 2.035 10.976 ( -2.061 10.161 11.328) 15.357 11.521 ( -1.746 -9.679 2.250) 10.089 11.699 ( -0.559 -1.041 -2.293) 2.580 11.747 ( 1.975 -5.011 -0.249) 5.391 11.941 ( 2.246 1.703 -12.454) 12.769 12.055 ( 4.698 0.919 -6.541) 8.106 12.084 ( 2.182 0.146 -16.041) 16.189 12.151 ( 1.739 -0.606 -12.840) 12.972 12.411 ( -0.237 13.107 -1.328) 13.176 12.763 ( 0.059 0.915 -1.418) 1.689 12.898 ( -1.124 -1.111 -1.924) 2.490 12.977 ( -0.896 2.857 0.250) 3.004 13.121 ( -0.965 -1.156 5.488) 5.690 13.429 ( 0.950 -7.946 -3.372) 8.684 13.544 ( 1.892 -4.880 -2.927) 5.997 13.677 ( 1.316 -11.355 -4.265) 12.201 13.971 ( -1.379 3.214 8.620) 9.303 14.132 ( 3.063 0.395 4.781) 5.692 14.259 ( -2.889 1.475 1.012) 3.398 14.368 ( -1.201 0.246 4.892) 5.043 14.483 ( -2.628 5.718 0.609) 6.322 14.653 ( -0.889 6.888 3.623) 7.833 14.751 ( 0.818 -0.214 3.462) 3.563 14.841 ( 0.789 -1.723 5.269) 5.599 20.479 ( 1.670 1.951 -1.174) 2.824 20.562 ( 1.789 -1.261 -1.810) 2.840 20.862 ( 0.192 0.229 -0.186) 0.352 20.927 ( 2.349 -1.931 1.927) 3.600 20.987 ( 1.524 0.495 -2.296) 2.800 21.041 ( -1.496 -1.847 -4.839) 5.391 21.122 ( 0.800 0.645 -2.000) 2.249 21.182 ( -2.286 0.840 -9.376) 9.687 21.275 ( 0.108 3.694 -4.336) 5.697 21.311 ( 3.276 4.380 -1.995) 5.822 21.643 ( 0.268 -2.880 0.823) 3.007 21.787 ( 1.538 -0.839 -1.537) 2.331 21.885 ( -0.930 -2.191 7.652) 8.014 21.898 ( 3.612 -5.165 1.613) 6.506 22.311 ( -3.460 2.722 -3.366) 5.541 22.404 ( -3.005 -1.165 -4.904) 5.868 22.907 ( -3.303 1.911 -0.330) 3.830 22.988 ( 0.276 0.059 4.505) 4.514 23.007 ( -0.311 -1.357 3.685) 3.940 23.018 ( 1.560 -0.925 1.659) 2.458 23.173 ( -1.783 1.447 8.209) 8.524 23.227 ( -1.711 1.577 3.823) 4.475 23.259 ( -2.677 0.049 7.817) 8.263 23.367 ( -3.254 -3.137 7.081) 8.400 23.910 ( -0.692 0.700 1.510) 1.803 23.964 ( -0.169 -1.583 0.410) 1.644 24.046 ( 0.841 3.314 0.381) 3.440 24.203 ( 1.307 -3.139 3.600) 4.952 24.267 ( -0.900 4.721 -0.111) 4.807 24.384 ( -0.385 0.021 2.812) 2.838 24.491 ( 1.591 5.120 -2.299) 5.833 24.763 ( 0.186 -4.821 -6.133) 7.803 ======================= Grid point 58 (33/63) ======================= q-point: (-0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -7.871 5.673 5.419) 11.113 0.722 ( -8.340 7.232 -0.099) 11.039 0.881 ( -0.144 -2.323 3.262) 4.007 0.930 ( 0.785 -2.452 2.003) 3.262 0.964 ( 0.642 -0.084 6.212) 6.246 1.081 ( 0.560 -2.343 -1.961) 3.106 1.102 ( 1.512 1.712 3.945) 4.559 1.146 ( -0.986 -3.148 0.281) 3.310 1.223 ( 1.440 -3.762 1.001) 4.151 1.251 ( 1.339 -1.349 4.399) 4.792 1.283 ( 0.404 1.134 -0.933) 1.523 1.322 ( 0.688 -2.743 3.886) 4.807 1.355 ( 3.278 -0.536 1.329) 3.578 1.413 ( -0.675 0.231 0.779) 1.056 1.450 ( -1.415 0.618 3.109) 3.471 1.475 ( 3.066 1.907 0.236) 3.618 1.490 ( -1.212 0.589 0.680) 1.510 1.584 ( 1.076 -0.029 -1.154) 1.578 1.627 ( -4.574 0.415 5.367) 7.064 1.679 ( -0.081 -1.415 3.934) 4.181 1.710 ( 0.627 -1.177 0.949) 1.637 1.735 ( 0.485 -0.593 1.319) 1.525 1.748 ( 0.380 -0.092 -1.972) 2.010 1.825 ( 2.248 -0.564 1.410) 2.713 1.872 ( -2.346 -1.573 1.940) 3.427 1.902 ( -2.325 -1.381 3.714) 4.594 1.991 ( -3.238 -1.380 1.975) 4.036 2.060 ( -5.111 0.980 14.705) 15.599 2.089 ( -3.934 1.634 9.640) 10.539 2.132 ( -2.748 -0.009 9.972) 10.343 2.235 ( 0.432 2.201 -0.896) 2.415 2.296 ( -1.516 -1.550 2.314) 3.171 2.392 ( -1.665 0.178 17.029) 17.112 2.438 ( -1.069 -1.128 8.065) 8.213 2.541 ( 0.858 0.642 5.425) 5.530 2.635 ( 1.818 4.492 7.464) 8.899 2.659 ( -2.648 1.716 11.212) 11.648 2.745 ( -2.360 3.207 5.658) 6.919 2.786 ( 0.927 -2.693 6.392) 6.998 2.817 ( -1.531 -3.527 -1.038) 3.983 2.910 ( -0.865 -8.549 -1.659) 8.751 2.922 ( -0.170 2.172 5.839) 6.232 3.102 ( -1.340 2.394 -0.294) 2.759 3.243 ( -2.198 -2.270 1.680) 3.579 3.281 ( 1.369 -0.840 -5.190) 5.433 3.318 ( -2.765 -2.685 -4.268) 5.751 3.452 ( -3.002 7.204 1.517) 7.950 3.528 ( 1.134 1.884 -3.972) 4.540 3.549 ( -1.339 0.587 -5.311) 5.509 3.664 ( 4.284 3.814 -8.328) 10.112 3.681 ( -2.542 4.553 -5.339) 7.463 3.830 ( 1.837 2.409 -2.547) 3.958 3.892 ( -1.578 -5.692 -3.768) 7.006 3.999 ( -1.932 1.574 -4.372) 5.033 4.079 ( -0.390 -4.006 -7.288) 8.326 4.123 ( 2.428 2.306 -2.805) 4.368 4.163 ( 3.112 -4.159 -2.862) 5.930 4.244 ( 4.834 0.807 -3.954) 6.297 4.337 ( -1.044 0.884 -2.678) 3.007 4.448 ( 2.082 -1.678 -2.794) 3.867 4.595 ( 1.325 3.158 -2.164) 4.051 4.654 ( -2.774 -0.200 -2.391) 3.667 4.677 ( -0.457 0.268 1.611) 1.696 4.790 ( 0.852 -4.570 -1.814) 4.990 5.032 ( -0.241 3.395 3.940) 5.206 5.077 ( -0.255 2.513 5.096) 5.688 5.172 ( -0.475 -0.984 6.510) 6.601 5.258 ( 0.156 -2.652 3.506) 4.398 5.429 ( -0.048 -1.684 3.459) 3.847 5.493 ( 0.827 -4.520 -0.195) 4.599 5.796 ( -1.508 4.451 6.586) 8.090 5.985 ( -0.476 -3.264 1.370) 3.572 6.332 ( -0.526 1.149 2.273) 2.601 6.514 ( 0.261 4.904 -0.913) 4.995 6.523 ( 0.187 -2.224 2.960) 3.707 6.800 ( -0.243 -3.430 -1.072) 3.602 7.162 ( -1.428 2.420 3.638) 4.597 7.342 ( 1.087 -3.047 1.316) 3.492 7.458 ( 0.365 3.285 -0.982) 3.448 7.608 ( 0.986 -1.631 -4.278) 4.684 7.848 ( 1.400 3.023 -6.093) 6.944 7.917 ( 0.499 -0.344 -3.988) 4.034 7.999 ( 0.853 -1.316 -11.379) 11.486 8.028 ( 1.837 -1.038 -13.775) 13.936 8.177 ( 0.160 2.003 -5.129) 5.508 8.211 ( 0.025 1.447 -1.874) 2.368 8.335 ( 1.886 0.492 -9.950) 10.139 8.398 ( 0.552 -0.813 -0.278) 1.022 8.795 ( -1.341 3.289 0.243) 3.560 8.943 ( 0.478 -3.578 -5.816) 6.845 9.002 ( 0.959 5.586 -6.402) 8.550 9.232 ( 2.091 1.380 -4.604) 5.242 9.543 ( -0.521 0.861 1.035) 1.444 9.654 ( 2.722 0.731 2.007) 3.460 9.906 ( 0.597 -1.836 4.242) 4.661 10.079 ( -2.333 -7.647 3.632) 8.781 10.235 ( -0.794 0.210 0.148) 0.835 10.299 ( -0.302 -2.505 -1.167) 2.780 10.323 ( -0.785 -0.125 2.158) 2.300 10.404 ( 0.581 -1.197 -0.066) 1.332 10.969 ( -2.265 9.483 10.991) 14.692 11.497 ( -1.191 -11.476 1.888) 11.691 11.691 ( 0.668 -0.436 -3.192) 3.290 11.779 ( 0.962 -4.584 -0.307) 4.694 11.957 ( 3.442 4.019 -12.346) 13.432 12.056 ( 1.776 2.982 -13.306) 13.751 12.131 ( 3.785 1.103 -12.295) 12.912 12.150 ( 1.962 -2.711 -10.895) 11.397 12.430 ( 2.275 8.462 2.499) 9.112 12.738 ( -1.964 -0.713 -2.664) 3.386 12.889 ( 0.661 6.248 -2.093) 6.622 12.928 ( -2.126 4.668 -2.694) 5.794 13.141 ( 0.381 -2.641 6.416) 6.949 13.421 ( -0.687 -10.814 -2.507) 11.122 13.564 ( 0.772 -3.998 -3.180) 5.167 13.687 ( 1.287 -12.069 -5.434) 13.298 14.011 ( 1.930 1.975 9.823) 10.204 14.176 ( -2.992 -2.399 1.777) 4.227 14.209 ( 0.343 2.502 4.185) 4.888 14.350 ( -1.615 -5.604 4.415) 7.315 14.483 ( 1.926 11.238 2.550) 11.684 14.615 ( -3.158 6.960 0.376) 7.653 14.775 ( -0.562 1.454 5.310) 5.534 14.850 ( -1.389 -1.960 4.730) 5.305 20.525 ( 2.710 1.022 -0.276) 2.909 20.596 ( 1.462 -1.980 -1.079) 2.687 20.815 ( -2.518 2.676 -0.669) 3.735 20.937 ( -0.719 -2.841 -3.986) 4.948 21.013 ( 0.534 0.272 -2.445) 2.517 21.040 ( -1.239 -0.659 -3.872) 4.119 21.102 ( 1.738 2.702 -1.916) 3.740 21.153 ( 0.885 0.755 -1.206) 1.676 21.259 ( 0.087 5.241 -5.808) 7.824 21.375 ( 3.726 2.681 -4.575) 6.480 21.658 ( 0.955 -4.283 -0.118) 4.390 21.787 ( -0.717 -4.042 -2.210) 4.662 21.881 ( -2.305 1.451 5.029) 5.719 21.987 ( 3.612 -6.308 3.100) 7.902 22.230 ( -2.874 1.917 -2.060) 4.023 22.326 ( -2.348 -0.848 -2.680) 3.663 22.855 ( -1.512 3.063 1.070) 3.579 22.995 ( 0.376 -0.645 -0.776) 1.077 23.005 ( -0.699 -0.272 4.391) 4.455 23.070 ( 1.688 -1.799 2.057) 3.212 23.180 ( -0.807 1.535 8.800) 8.969 23.206 ( -1.322 2.594 5.401) 6.135 23.231 ( -2.673 -0.621 7.376) 7.870 23.356 ( -0.231 -3.927 8.437) 9.309 23.901 ( -0.625 0.580 0.954) 1.279 23.959 ( -0.226 -1.463 0.466) 1.552 24.031 ( -2.164 4.336 1.239) 5.002 24.187 ( -2.995 -2.451 2.796) 4.774 24.309 ( 4.124 4.558 -2.128) 6.505 24.443 ( 4.044 -0.043 3.842) 5.578 24.521 ( 2.099 3.655 -0.772) 4.285 24.740 ( -0.248 -4.320 -7.383) 8.557 ======================= Grid point 59 (34/63) ======================= q-point: (-0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -2.769 12.030 6.447) 13.926 0.576 ( -5.338 10.198 5.489) 12.753 0.851 ( -0.806 -4.822 2.980) 5.725 0.968 ( 0.944 -1.709 2.306) 3.022 1.017 ( 2.406 -0.702 2.303) 3.404 1.061 ( -2.326 -0.822 0.964) 2.648 1.124 ( -1.239 -1.633 3.369) 3.943 1.154 ( 0.688 -3.511 2.987) 4.661 1.210 ( -1.376 -1.318 2.222) 2.927 1.247 ( -2.614 -2.605 1.164) 3.870 1.311 ( 0.064 2.004 0.052) 2.006 1.347 ( 1.321 0.238 1.703) 2.168 1.405 ( 1.293 0.722 0.137) 1.487 1.409 ( -3.088 0.312 7.746) 8.345 1.440 ( 1.537 -1.014 4.309) 4.686 1.507 ( 1.842 -1.529 -2.758) 3.652 1.536 ( 0.312 -2.521 1.972) 3.216 1.575 ( -0.204 1.076 5.231) 5.345 1.618 ( 3.409 -0.505 -2.940) 4.530 1.688 ( -1.046 -1.868 2.115) 3.010 1.720 ( -1.906 -5.051 2.940) 6.148 1.726 ( -0.281 -0.917 0.919) 1.328 1.777 ( 2.374 -1.319 0.015) 2.716 1.847 ( 0.431 1.329 2.958) 3.271 1.875 ( 0.231 1.040 3.872) 4.016 1.897 ( 1.898 1.274 1.894) 2.969 1.927 ( -3.167 -3.747 2.117) 5.344 2.034 ( -2.231 2.256 10.853) 11.307 2.055 ( -2.563 2.508 12.566) 13.067 2.128 ( 1.266 0.245 6.433) 6.560 2.245 ( 0.905 4.960 -0.091) 5.042 2.307 ( 0.682 2.180 2.751) 3.576 2.389 ( -5.278 1.566 14.392) 15.409 2.420 ( -2.005 -2.407 8.609) 9.161 2.534 ( -2.721 2.411 4.461) 5.755 2.640 ( -3.539 1.056 14.464) 14.928 2.662 ( -1.528 5.556 6.442) 8.644 2.743 ( -1.506 -1.928 8.395) 8.744 2.757 ( -2.405 1.720 -2.508) 3.877 2.809 ( -0.521 -4.312 5.018) 6.636 2.913 ( 0.230 -7.880 -0.997) 7.946 2.957 ( 2.369 3.810 2.134) 4.968 3.087 ( 0.218 0.102 -0.884) 0.916 3.188 ( -2.375 -2.758 -3.061) 4.755 3.223 ( -4.712 -2.686 0.362) 5.436 3.297 ( 0.875 -4.671 -0.923) 4.841 3.386 ( -2.045 4.182 -3.515) 5.833 3.484 ( -1.048 4.333 -4.529) 6.356 3.542 ( -0.336 0.816 -5.397) 5.468 3.633 ( 0.169 4.505 -4.243) 6.191 3.730 ( 3.090 2.223 -5.322) 6.543 3.828 ( -2.086 -3.193 -0.217) 3.820 3.871 ( 1.881 1.560 -3.235) 4.055 3.945 ( -1.240 2.495 -4.673) 5.440 4.044 ( -0.918 -4.387 -4.337) 6.237 4.136 ( 0.075 3.466 -2.145) 4.077 4.193 ( 0.423 -4.714 -5.006) 6.889 4.274 ( -1.172 0.518 -2.836) 3.112 4.329 ( 1.722 -0.583 -3.885) 4.289 4.429 ( -2.670 -2.460 -2.970) 4.690 4.555 ( -2.189 1.247 -2.595) 3.616 4.631 ( 0.613 2.216 -3.877) 4.507 4.717 ( 2.813 0.157 2.281) 3.625 4.821 ( 2.201 -6.543 -1.086) 6.988 5.040 ( 0.533 0.449 4.473) 4.527 5.124 ( 0.385 0.377 4.390) 4.423 5.166 ( -1.123 -0.328 5.404) 5.529 5.251 ( -2.139 -3.652 5.017) 6.564 5.417 ( 0.069 1.277 0.780) 1.498 5.541 ( 1.656 -0.594 1.883) 2.577 5.791 ( -1.100 4.860 6.341) 8.064 5.970 ( -1.332 -2.619 1.154) 3.157 6.345 ( 0.918 2.814 2.095) 3.627 6.494 ( -1.163 7.726 -1.745) 8.006 6.548 ( 0.333 -4.087 3.724) 5.539 6.769 ( -2.172 -2.169 -0.509) 3.111 7.139 ( -1.695 0.960 3.195) 3.742 7.347 ( -0.968 -4.445 0.852) 4.628 7.463 ( 0.465 4.400 -1.696) 4.738 7.617 ( 1.013 -1.404 -3.485) 3.891 7.866 ( 1.953 2.609 -4.179) 5.299 7.925 ( 1.755 -0.400 -4.069) 4.449 7.969 ( -0.087 0.058 -9.622) 9.623 8.017 ( 1.824 -0.953 -14.364) 14.511 8.168 ( 0.989 1.741 -6.568) 6.867 8.209 ( 0.806 0.572 -3.758) 3.886 8.341 ( 1.978 0.218 -9.631) 9.834 8.400 ( -0.526 -1.414 0.695) 1.661 8.780 ( 0.023 2.374 0.646) 2.460 8.915 ( -0.665 -3.860 -5.343) 6.625 9.023 ( 2.249 6.011 -5.511) 8.459 9.257 ( 1.721 2.025 -4.527) 5.249 9.550 ( 0.466 -1.810 2.405) 3.046 9.705 ( 0.889 -1.808 1.187) 2.338 9.955 ( 2.988 0.667 3.453) 4.614 10.071 ( 0.644 -5.337 2.834) 6.077 10.214 ( -1.258 0.642 0.692) 1.573 10.276 ( -1.783 -0.316 -1.011) 2.074 10.303 ( -1.646 -0.572 2.302) 2.887 10.409 ( -0.120 -1.969 -0.000) 1.972 10.965 ( -1.584 7.507 9.930) 12.549 11.494 ( 0.307 -13.635 2.576) 13.879 11.702 ( 1.399 0.070 -3.022) 3.331 11.776 ( -1.061 -3.253 -0.934) 3.547 11.972 ( 1.998 3.999 -13.535) 14.254 12.065 ( 3.125 2.339 -13.686) 14.231 12.123 ( -0.278 0.853 -10.702) 10.740 12.156 ( 2.834 2.120 -12.420) 12.914 12.492 ( 1.571 3.671 1.864) 4.406 12.696 ( -0.440 0.856 -0.190) 0.981 12.874 ( 0.160 6.747 -5.157) 8.494 12.933 ( 1.961 3.938 -0.496) 4.427 13.159 ( -0.708 -1.759 4.471) 4.856 13.396 ( -0.830 -10.243 -1.008) 10.326 13.549 ( -0.854 -3.067 -3.747) 4.917 13.692 ( 1.143 -12.630 -5.848) 13.966 14.054 ( -2.421 0.656 7.468) 7.878 14.111 ( -2.762 -0.003 4.088) 4.934 14.251 ( 1.874 0.103 6.659) 6.918 14.362 ( 1.426 -2.814 4.862) 5.796 14.536 ( -4.383 7.606 -1.342) 8.881 14.561 ( 4.530 6.229 4.112) 8.731 14.752 ( -3.581 0.799 5.044) 6.237 14.826 ( -2.249 -1.091 3.526) 4.322 20.561 ( 0.296 0.026 -0.636) 0.702 20.593 ( -0.813 -2.037 -0.981) 2.403 20.777 ( -1.740 4.807 -1.649) 5.372 20.933 ( 0.749 -2.670 -4.721) 5.475 20.963 ( -0.657 0.534 -5.146) 5.215 21.013 ( 0.703 -1.060 -2.931) 3.195 21.148 ( 0.175 2.770 1.139) 3.000 21.175 ( 2.157 1.205 -1.272) 2.779 21.239 ( -0.132 4.552 -4.826) 6.635 21.410 ( 1.363 1.034 -6.531) 6.751 21.661 ( -0.801 -3.581 -1.573) 3.992 21.776 ( 0.974 -2.357 -0.354) 2.575 21.815 ( -5.106 1.410 4.253) 6.793 22.008 ( -2.508 -8.184 -0.429) 8.570 22.244 ( 5.066 1.994 0.608) 5.479 22.317 ( 1.816 0.631 -1.810) 2.640 22.862 ( 1.203 2.969 3.002) 4.390 22.984 ( -1.187 3.094 -1.343) 3.575 23.014 ( 0.130 -3.072 3.086) 4.356 23.094 ( 0.044 -0.664 0.578) 0.881 23.195 ( 0.132 0.866 8.074) 8.121 23.211 ( -1.251 0.347 7.265) 7.380 23.217 ( -0.562 1.992 7.988) 8.252 23.402 ( 1.290 -5.916 8.692) 10.593 23.897 ( -0.016 0.794 1.148) 1.396 23.968 ( 0.930 -1.572 1.224) 2.198 23.988 ( -2.213 4.352 1.253) 5.041 24.126 ( -3.803 -2.135 2.213) 4.891 24.380 ( 3.861 4.663 -4.558) 7.578 24.501 ( -0.508 1.986 3.519) 4.073 24.592 ( 4.202 -0.010 0.270) 4.211 24.704 ( -0.158 -3.787 -8.172) 9.008 ======================= Grid point 60 (35/63) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -0.311 -3.887 4.369) 5.856 0.692 ( -0.311 3.887 4.369) 5.856 0.782 ( -1.243 -5.582 4.870) 7.511 0.782 ( -1.243 5.582 4.870) 7.511 1.052 ( -0.937 -1.680 5.353) 5.688 1.052 ( -0.937 1.680 5.353) 5.688 1.073 ( 0.242 -1.855 0.775) 2.025 1.073 ( 0.242 1.855 0.775) 2.025 1.192 ( -1.429 -2.466 2.134) 3.560 1.192 ( -1.429 2.466 2.134) 3.560 1.344 ( -1.276 -1.518 1.865) 2.722 1.344 ( -1.276 1.518 1.865) 2.722 1.396 ( -0.659 -2.685 0.437) 2.799 1.396 ( -0.659 2.685 0.437) 2.799 1.471 ( 0.191 -1.852 0.287) 1.884 1.471 ( 0.191 1.852 0.287) 1.884 1.562 ( 0.001 -5.034 1.046) 5.141 1.562 ( 0.001 5.034 1.046) 5.141 1.627 ( 0.313 -2.296 3.262) 4.001 1.627 ( 0.313 2.296 3.262) 4.001 1.713 ( -1.187 -2.619 3.603) 4.610 1.713 ( -1.187 2.619 3.603) 4.610 1.782 ( -0.066 -1.210 2.354) 2.647 1.782 ( -0.066 1.210 2.354) 2.647 1.938 ( 0.812 -0.967 2.396) 2.708 1.938 ( 0.812 0.967 2.396) 2.708 2.048 ( 1.499 -5.820 8.662) 10.543 2.048 ( 1.499 5.820 8.662) 10.543 2.162 ( 1.335 -2.436 11.262) 11.599 2.162 ( 1.335 2.436 11.262) 11.599 2.319 ( -3.077 -1.303 5.037) 6.044 2.319 ( -3.077 1.303 5.037) 6.044 2.431 ( 0.348 -2.838 3.199) 4.291 2.431 ( 0.348 2.838 3.199) 4.291 2.519 ( -4.281 -11.691 3.450) 12.919 2.519 ( -4.281 11.691 3.450) 12.919 2.719 ( -1.425 -1.365 9.424) 9.628 2.719 ( -1.425 1.365 9.424) 9.628 2.763 ( -0.661 -4.830 3.321) 5.899 2.763 ( -0.661 4.830 3.321) 5.899 2.914 ( 1.844 -8.255 -1.021) 8.520 2.914 ( 1.844 8.255 -1.021) 8.520 3.132 ( 1.470 -2.593 0.456) 3.015 3.132 ( 1.470 2.593 0.456) 3.015 3.225 ( 2.491 -5.786 -3.000) 6.978 3.225 ( 2.491 5.786 -3.000) 6.978 3.467 ( 0.475 -4.634 -3.753) 5.982 3.467 ( 0.475 4.634 -3.753) 5.982 3.577 ( 0.101 -4.308 -2.823) 5.152 3.577 ( 0.101 4.308 -2.823) 5.152 3.770 ( -1.672 -4.365 -3.551) 5.870 3.770 ( -1.672 4.365 -3.551) 5.870 3.878 ( -0.403 -5.201 0.107) 5.217 3.878 ( -0.403 5.201 0.107) 5.217 4.059 ( 1.641 -5.183 -5.760) 7.920 4.059 ( 1.641 5.183 -5.760) 7.920 4.242 ( -1.808 -1.240 -5.382) 5.812 4.242 ( -1.808 1.240 -5.382) 5.812 4.308 ( 0.223 -5.260 -2.555) 5.852 4.308 ( 0.223 5.260 -2.555) 5.852 4.631 ( 1.198 -5.608 -1.630) 5.962 4.631 ( 1.198 5.608 -1.630) 5.962 4.750 ( 0.682 -1.450 -2.208) 2.728 4.750 ( 0.682 1.450 -2.208) 2.728 5.027 ( -2.023 -0.701 6.325) 6.678 5.027 ( -2.023 0.701 6.325) 6.678 5.203 ( -0.894 -1.397 5.279) 5.534 5.203 ( -0.894 1.397 5.279) 5.534 5.559 ( 1.453 -2.760 2.380) 3.923 5.559 ( 1.453 2.760 2.380) 3.923 5.874 ( -1.485 -4.150 3.158) 5.422 5.874 ( -1.485 4.150 3.158) 5.422 6.456 ( -1.139 -4.344 3.334) 5.593 6.456 ( -1.139 4.344 3.334) 5.593 6.647 ( 0.157 -6.615 -1.650) 6.819 6.647 ( 0.157 6.615 -1.650) 6.819 7.195 ( -1.094 -5.842 2.408) 6.413 7.195 ( -1.094 5.842 2.408) 6.413 7.558 ( -0.031 -4.010 -3.459) 5.296 7.558 ( -0.031 4.010 -3.459) 5.296 7.925 ( 0.665 -1.327 -0.806) 1.689 7.925 ( 0.665 1.327 -0.806) 1.689 7.984 ( 2.858 -1.764 -15.542) 15.901 7.984 ( 2.858 1.764 -15.542) 15.901 8.204 ( 1.294 -1.144 -5.474) 5.740 8.204 ( 1.294 1.144 -5.474) 5.740 8.354 ( 0.360 -1.300 -4.039) 4.258 8.354 ( 0.360 1.300 -4.039) 4.258 8.829 ( 0.757 -1.811 -2.093) 2.869 8.829 ( 0.757 1.811 -2.093) 2.869 9.188 ( -0.471 -7.264 -1.306) 7.396 9.188 ( -0.471 7.264 -1.306) 7.396 9.600 ( 0.174 -5.034 0.093) 5.038 9.600 ( 0.174 5.034 0.093) 5.038 10.082 ( 2.539 -1.917 1.377) 3.467 10.082 ( 2.539 1.917 1.377) 3.467 10.222 ( 0.206 -1.255 -0.600) 1.406 10.222 ( 0.206 1.255 -0.600) 1.406 10.318 ( -2.054 -3.665 1.693) 4.529 10.318 ( -2.054 3.665 1.693) 4.529 11.201 ( -0.016 -14.252 8.392) 16.539 11.201 ( -0.016 14.252 8.392) 16.539 11.720 ( -0.446 -0.412 -0.971) 1.146 11.720 ( -0.446 0.412 -0.971) 1.146 12.009 ( 0.048 -2.084 -14.497) 14.646 12.009 ( 0.048 2.084 -14.497) 14.646 12.161 ( 1.945 -0.984 -12.921) 13.103 12.161 ( 1.945 0.984 -12.921) 13.103 12.680 ( 1.903 -7.221 3.589) 8.285 12.680 ( 1.903 7.221 3.589) 8.285 12.911 ( -1.943 -3.706 -6.107) 7.403 12.911 ( -1.943 3.706 -6.107) 7.403 13.238 ( 1.241 -7.903 2.816) 8.481 13.238 ( 1.241 7.903 2.816) 8.481 13.513 ( 0.570 -4.160 -6.203) 7.491 13.513 ( 0.570 4.160 -6.203) 7.491 14.055 ( -2.443 -1.034 6.876) 7.370 14.055 ( -2.443 1.034 6.876) 7.370 14.368 ( 1.726 -3.092 6.990) 7.835 14.368 ( 1.726 3.092 6.990) 7.835 14.606 ( -0.419 -3.739 1.499) 4.051 14.606 ( -0.419 3.739 1.499) 4.051 14.753 ( -1.756 -3.447 3.301) 5.085 14.753 ( -1.756 3.447 3.301) 5.085 20.552 ( -0.944 -1.274 -1.357) 2.087 20.552 ( -0.944 1.274 -1.357) 2.087 20.813 ( -1.630 -3.551 -3.473) 5.228 20.813 ( -1.630 3.551 -3.473) 5.228 21.012 ( 2.400 -0.688 -2.326) 3.412 21.012 ( 2.400 0.688 -2.326) 3.412 21.209 ( 1.141 -0.534 -3.992) 4.186 21.209 ( 1.141 0.534 -3.992) 4.186 21.315 ( -0.906 -4.442 -4.300) 6.248 21.315 ( -0.906 4.442 -4.300) 6.248 21.726 ( 0.678 -5.963 -0.664) 6.038 21.726 ( 0.678 5.963 -0.664) 6.038 21.790 ( -2.626 -3.215 4.094) 5.830 21.790 ( -2.626 3.215 4.094) 5.830 22.378 ( 4.310 -0.136 -2.755) 5.117 22.378 ( 4.310 0.136 -2.755) 5.117 22.956 ( 0.068 -3.302 4.713) 5.755 22.956 ( 0.068 3.302 4.713) 5.755 23.032 ( -1.652 -2.226 -1.053) 2.966 23.032 ( -1.652 2.226 -1.053) 2.966 23.233 ( -0.574 -0.667 6.386) 6.446 23.233 ( -0.574 0.667 6.386) 6.446 23.316 ( 0.122 -4.611 8.752) 9.893 23.316 ( 0.122 4.611 8.752) 9.893 23.944 ( 0.380 -1.624 2.456) 2.968 23.944 ( 0.380 1.624 2.456) 2.968 24.027 ( -0.835 -1.435 0.496) 1.733 24.027 ( -0.835 1.435 0.496) 1.733 24.499 ( -2.462 -0.763 -1.713) 3.095 24.499 ( -2.462 0.763 -1.713) 3.095 24.614 ( 1.176 -5.737 -3.358) 6.750 24.614 ( 1.176 5.737 -3.358) 6.750 ======================= Grid point 62 (36/63) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -0.369 -5.739 3.755) 6.869 0.690 ( -0.369 5.739 3.755) 6.869 0.821 ( 1.355 -2.555 8.572) 9.046 0.821 ( 1.355 2.555 8.572) 9.046 1.056 ( -0.236 -1.880 2.466) 3.110 1.056 ( -0.236 1.880 2.466) 3.110 1.092 ( 1.197 -2.311 2.629) 3.700 1.092 ( 1.197 2.311 2.629) 3.700 1.162 ( -2.626 -1.813 3.622) 4.827 1.162 ( -2.626 1.813 3.622) 4.827 1.323 ( -1.550 -1.198 0.867) 2.142 1.323 ( -1.550 1.198 0.867) 2.142 1.366 ( -2.070 -2.033 -1.172) 3.129 1.366 ( -2.070 2.033 -1.172) 3.129 1.461 ( -0.063 -2.291 -2.161) 3.150 1.461 ( -0.063 2.291 -2.161) 3.150 1.584 ( 0.715 -2.593 3.984) 4.806 1.584 ( 0.715 2.593 3.984) 4.806 1.647 ( 0.685 -2.188 3.354) 4.063 1.647 ( 0.685 2.188 3.354) 4.063 1.686 ( -1.421 -1.170 1.278) 2.241 1.686 ( -1.421 1.170 1.278) 2.241 1.798 ( 0.517 -0.721 2.640) 2.785 1.798 ( 0.517 0.721 2.640) 2.785 1.948 ( -1.050 -2.087 3.736) 4.406 1.948 ( -1.050 2.087 3.736) 4.406 2.088 ( -1.071 -4.852 7.628) 9.104 2.088 ( -1.071 4.852 7.628) 9.104 2.179 ( -3.255 -0.972 9.353) 9.951 2.179 ( -3.255 0.972 9.353) 9.951 2.306 ( -0.172 -0.605 9.107) 9.129 2.306 ( -0.172 0.605 9.107) 9.129 2.380 ( -3.787 -4.937 -0.573) 6.249 2.380 ( -3.787 4.937 -0.573) 6.249 2.523 ( 1.639 -9.247 5.588) 10.928 2.523 ( 1.639 9.247 5.588) 10.928 2.707 ( -2.141 -2.924 9.427) 10.100 2.707 ( -2.141 2.924 9.427) 10.100 2.768 ( -0.280 -6.458 2.495) 6.929 2.768 ( -0.280 6.458 2.495) 6.929 2.930 ( -0.491 -4.175 -0.363) 4.219 2.930 ( -0.491 4.175 -0.363) 4.219 3.191 ( 3.210 -1.512 0.223) 3.555 3.191 ( 3.210 1.512 0.223) 3.555 3.315 ( 6.689 -4.281 -2.541) 8.338 3.315 ( 6.689 4.281 -2.541) 8.338 3.441 ( -1.115 -1.228 -4.481) 4.778 3.441 ( -1.115 1.228 -4.481) 4.778 3.591 ( 0.974 -3.443 -1.114) 3.747 3.591 ( 0.974 3.443 -1.114) 3.747 3.766 ( 2.356 -0.997 -4.999) 5.615 3.766 ( 2.356 0.997 -4.999) 5.615 3.890 ( 2.531 -3.327 -0.295) 4.191 3.890 ( 2.531 3.327 -0.295) 4.191 4.067 ( 0.296 -3.156 -5.781) 6.593 4.067 ( 0.296 3.156 -5.781) 6.593 4.175 ( -1.701 -1.691 -6.111) 6.565 4.175 ( -1.701 1.691 -6.111) 6.565 4.329 ( 2.289 -4.701 -1.879) 5.556 4.329 ( 2.289 4.701 -1.879) 5.556 4.644 ( 0.341 -5.529 -0.819) 5.600 4.644 ( 0.341 5.529 -0.819) 5.600 4.762 ( 1.353 -4.826 -3.233) 5.965 4.762 ( 1.353 4.826 -3.233) 5.965 5.022 ( -0.455 -2.595 5.886) 6.449 5.022 ( -0.455 2.595 5.886) 6.449 5.194 ( -1.871 -1.825 6.062) 6.602 5.194 ( -1.871 1.825 6.062) 6.602 5.547 ( -3.265 -2.116 1.778) 4.278 5.547 ( -3.265 2.116 1.778) 4.278 5.867 ( -0.184 -4.491 3.228) 5.534 5.867 ( -0.184 4.491 3.228) 5.534 6.426 ( -2.540 -3.417 3.502) 5.513 6.426 ( -2.540 3.417 3.502) 5.513 6.657 ( 1.261 -6.072 -1.556) 6.394 6.657 ( 1.261 6.072 -1.556) 6.394 7.202 ( 0.894 -4.423 2.308) 5.068 7.202 ( 0.894 4.423 2.308) 5.068 7.543 ( -0.092 -4.161 -3.290) 5.306 7.543 ( -0.092 4.161 -3.290) 5.306 7.922 ( -0.265 -1.157 -2.153) 2.459 7.922 ( -0.265 1.157 -2.153) 2.459 7.997 ( 3.234 -1.581 -14.426) 14.869 7.997 ( 3.234 1.581 -14.426) 14.869 8.215 ( 1.287 -0.838 -4.142) 4.418 8.215 ( 1.287 0.838 -4.142) 4.418 8.352 ( 0.999 -1.771 -5.135) 5.523 8.352 ( 0.999 1.771 -5.135) 5.523 8.849 ( 1.854 -0.290 -2.257) 2.936 8.849 ( 1.854 0.290 -2.257) 2.936 9.164 ( -1.191 -6.384 -1.879) 6.760 9.164 ( -1.191 6.384 -1.879) 6.760 9.610 ( 0.725 -3.957 -0.070) 4.024 9.610 ( 0.725 3.957 -0.070) 4.024 10.058 ( -4.777 -5.563 1.891) 7.573 10.058 ( -4.777 5.563 1.891) 7.573 10.240 ( 1.084 -1.034 -0.786) 1.692 10.240 ( 1.084 1.034 -0.786) 1.692 10.311 ( 1.069 -2.129 1.306) 2.716 10.311 ( 1.069 2.129 1.306) 2.716 11.237 ( 0.077 -14.958 9.312) 17.620 11.237 ( 0.077 14.958 9.312) 17.620 11.701 ( -0.936 -0.657 -0.277) 1.177 11.701 ( -0.936 0.657 -0.277) 1.177 11.976 ( 1.842 -1.556 -13.594) 13.806 11.976 ( 1.842 1.556 -13.594) 13.806 12.148 ( 1.358 -1.099 -13.401) 13.515 12.148 ( 1.358 1.099 -13.401) 13.515 12.710 ( 0.138 -9.731 -1.820) 9.901 12.710 ( 0.138 9.731 -1.820) 9.901 12.881 ( 0.502 -2.218 0.409) 2.311 12.881 ( 0.502 2.218 0.409) 2.311 13.255 ( -0.474 -8.422 2.036) 8.677 13.255 ( -0.474 8.422 2.036) 8.677 13.510 ( 1.312 -4.446 -6.865) 8.283 13.510 ( 1.312 4.446 -6.865) 8.283 14.044 ( -1.085 -1.871 7.402) 7.711 14.044 ( -1.085 1.871 7.402) 7.711 14.370 ( -2.652 -2.476 3.756) 5.222 14.370 ( -2.652 2.476 3.756) 5.222 14.637 ( 1.542 -3.388 3.081) 4.832 14.637 ( 1.542 3.388 3.081) 4.832 14.748 ( 0.529 -2.049 3.434) 4.034 14.748 ( 0.529 2.049 3.434) 4.034 20.525 ( -0.697 -1.845 -2.098) 2.879 20.525 ( -0.697 1.845 -2.098) 2.879 20.820 ( 2.970 -2.508 -0.969) 4.007 20.820 ( 2.970 2.508 -0.969) 4.007 21.025 ( -0.481 -1.191 -1.996) 2.374 21.025 ( -0.481 1.191 -1.996) 2.374 21.196 ( -0.324 -2.413 -7.848) 8.216 21.196 ( -0.324 2.413 -7.848) 8.216 21.318 ( 1.880 -1.250 -1.279) 2.595 21.318 ( 1.880 1.250 -1.279) 2.595 21.689 ( -2.469 -5.851 -0.078) 6.351 21.689 ( -2.469 5.851 -0.078) 6.351 21.817 ( 2.126 -2.956 4.563) 5.838 21.817 ( 2.126 2.956 4.563) 5.838 22.417 ( 0.328 -1.572 -4.617) 4.889 22.417 ( 0.328 1.572 -4.617) 4.889 22.967 ( -0.406 -2.112 4.597) 5.075 22.967 ( -0.406 2.112 4.597) 5.075 22.999 ( -1.318 -1.244 0.150) 1.819 22.999 ( -1.318 1.244 0.150) 1.819 23.227 ( -1.865 -1.741 6.716) 7.184 23.227 ( -1.865 1.741 6.716) 7.184 23.328 ( -1.868 -3.450 7.123) 8.132 23.328 ( -1.868 3.450 7.123) 8.132 23.943 ( -0.858 -0.795 1.773) 2.124 23.943 ( -0.858 0.795 1.773) 2.124 24.060 ( 3.278 -2.712 1.476) 4.503 24.060 ( 3.278 2.712 1.476) 4.503 24.414 ( -4.635 -2.387 -0.255) 5.220 24.414 ( -4.635 2.387 -0.255) 5.220 24.627 ( 1.071 -7.834 -3.922) 8.827 24.627 ( 1.071 7.834 -3.922) 8.827 ======================= Grid point 64 (37/63) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 0.710 -3.805 3.180) 5.009 0.710 ( 0.710 3.805 3.180) 5.009 0.856 ( -1.069 -2.227 8.223) 8.587 0.856 ( -1.069 2.227 8.223) 8.587 1.045 ( -0.734 -1.199 -0.814) 1.625 1.045 ( -0.734 1.199 -0.814) 1.625 1.124 ( 0.013 -1.357 5.017) 5.198 1.124 ( 0.013 1.357 5.017) 5.198 1.149 ( 1.136 -6.803 4.441) 8.203 1.149 ( 1.136 6.803 4.441) 8.203 1.288 ( -1.946 -1.227 0.914) 2.476 1.288 ( -1.946 1.227 0.914) 2.476 1.337 ( 0.437 -2.984 -3.213) 4.406 1.337 ( 0.437 2.984 -3.213) 4.406 1.463 ( 0.921 -2.478 -2.771) 3.830 1.463 ( 0.921 2.478 -2.771) 3.830 1.594 ( -0.944 -2.117 5.966) 6.401 1.594 ( -0.944 2.117 5.966) 6.401 1.654 ( -1.628 -2.632 1.295) 3.355 1.654 ( -1.628 2.632 1.295) 3.355 1.701 ( 2.782 -2.927 0.440) 4.062 1.701 ( 2.782 2.927 0.440) 4.062 1.790 ( -2.664 -2.548 1.406) 3.945 1.790 ( -2.664 2.548 1.406) 3.945 1.917 ( -3.044 -2.951 3.508) 5.502 1.917 ( -3.044 2.951 3.508) 5.502 2.078 ( -2.648 -2.264 9.423) 10.047 2.078 ( -2.648 2.264 9.423) 10.047 2.139 ( -2.668 -0.921 7.619) 8.125 2.139 ( -2.668 0.921 7.619) 8.125 2.291 ( -3.528 -4.307 6.607) 8.640 2.291 ( -3.528 4.307 6.607) 8.640 2.369 ( 0.769 -2.052 7.114) 7.443 2.369 ( 0.769 2.052 7.114) 7.443 2.576 ( 1.661 -8.817 4.855) 10.201 2.576 ( 1.661 8.817 4.855) 10.201 2.705 ( -2.036 -3.087 12.284) 12.828 2.705 ( -2.036 3.087 12.284) 12.828 2.776 ( 1.283 -5.524 -2.567) 6.225 2.776 ( 1.283 5.524 -2.567) 6.225 2.897 ( -2.548 -1.419 1.981) 3.526 2.897 ( -2.548 1.419 1.981) 3.526 3.225 ( -0.811 -3.107 3.810) 4.983 3.225 ( -0.811 3.107 3.810) 4.983 3.348 ( -2.182 -2.290 -5.778) 6.587 3.348 ( -2.182 2.290 -5.778) 6.587 3.477 ( 5.694 -0.582 -6.063) 8.338 3.477 ( 5.694 0.582 -6.063) 8.338 3.629 ( 3.153 -5.333 0.626) 6.227 3.629 ( 3.153 5.333 0.626) 6.227 3.775 ( 0.077 -3.706 -4.054) 5.493 3.775 ( 0.077 3.706 -4.054) 5.493 3.946 ( 0.947 -4.160 -5.774) 7.180 3.946 ( 0.947 4.160 -5.774) 7.180 4.041 ( 0.997 -1.255 -2.975) 3.380 4.041 ( 0.997 1.255 -2.975) 3.380 4.173 ( 3.421 -1.872 -6.895) 7.921 4.173 ( 3.421 1.872 -6.895) 7.921 4.370 ( 1.905 -2.084 -1.539) 3.216 4.370 ( 1.905 2.084 -1.539) 3.216 4.645 ( 0.121 -3.414 0.277) 3.427 4.645 ( 0.121 3.414 0.277) 3.427 4.753 ( -1.753 -4.104 -2.716) 5.224 4.753 ( -1.753 4.104 -2.716) 5.224 5.063 ( 2.865 -4.353 4.264) 6.734 5.063 ( 2.865 4.353 4.264) 6.734 5.175 ( -1.929 -1.128 6.217) 6.606 5.175 ( -1.929 1.128 6.217) 6.606 5.464 ( -4.689 -4.442 1.279) 6.584 5.464 ( -4.689 4.442 1.279) 6.584 5.883 ( 0.386 -4.837 3.570) 6.024 5.883 ( 0.386 4.837 3.570) 6.024 6.398 ( -1.209 -4.026 4.055) 5.841 6.398 ( -1.209 4.026 4.055) 5.841 6.676 ( 0.984 -6.688 -1.999) 7.049 6.676 ( 0.984 6.688 -1.999) 7.049 7.233 ( 1.053 -3.784 2.598) 4.710 7.233 ( 1.053 3.784 2.598) 4.710 7.537 ( 0.659 -4.148 -3.220) 5.292 7.537 ( 0.659 4.148 -3.220) 5.292 7.908 ( -0.196 -1.494 -2.688) 3.082 7.908 ( -0.196 1.494 -2.688) 3.082 8.006 ( 2.525 -1.290 -15.042) 15.306 8.006 ( 2.525 1.290 -15.042) 15.306 8.222 ( 0.602 -0.998 -3.657) 3.838 8.222 ( 0.602 0.998 -3.657) 3.838 8.358 ( 1.220 -1.980 -4.830) 5.361 8.358 ( 1.220 1.980 -4.830) 5.361 8.876 ( 1.079 -1.958 -1.920) 2.947 8.876 ( 1.079 1.958 -1.920) 2.947 9.140 ( 0.104 -6.224 -3.252) 7.023 9.140 ( 0.104 6.224 -3.252) 7.023 9.625 ( 0.724 -2.113 -0.433) 2.275 9.625 ( 0.724 2.113 -0.433) 2.275 9.959 ( -5.019 -7.076 3.487) 9.349 9.959 ( -5.019 7.076 3.487) 9.349 10.251 ( 0.380 -1.032 -0.884) 1.411 10.251 ( 0.380 1.032 -0.884) 1.411 10.343 ( 1.333 -2.209 0.325) 2.601 10.343 ( 1.333 2.209 0.325) 2.601 11.250 ( -2.092 -14.317 9.329) 17.216 11.250 ( -2.092 14.317 9.329) 17.216 11.693 ( 0.419 -0.782 -0.506) 1.022 11.693 ( 0.419 0.782 -0.506) 1.022 11.995 ( 4.312 -3.224 -12.389) 13.508 11.995 ( 4.312 3.224 -12.389) 13.508 12.130 ( 1.429 -1.811 -13.307) 13.506 12.130 ( 1.429 1.811 -13.307) 13.506 12.680 ( -1.431 -10.163 -4.401) 11.167 12.680 ( -1.431 10.163 -4.401) 11.167 12.925 ( 2.333 -4.641 4.647) 6.969 12.925 ( 2.333 4.641 4.647) 6.969 13.233 ( -1.960 -9.589 0.057) 9.788 13.233 ( -1.960 9.589 0.057) 9.788 13.518 ( 1.675 -3.444 -6.489) 7.535 13.518 ( 1.675 3.444 -6.489) 7.535 14.060 ( 0.165 -4.758 7.357) 8.763 14.060 ( 0.165 4.758 7.357) 8.763 14.314 ( -3.658 -2.975 2.576) 5.373 14.314 ( -3.658 2.975 2.576) 5.373 14.661 ( 0.258 -7.279 1.662) 7.471 14.661 ( 0.258 7.279 1.662) 7.471 14.786 ( 1.006 -4.168 4.972) 6.566 14.786 ( 1.006 4.168 4.972) 6.566 20.525 ( 1.341 -2.101 -1.706) 3.020 20.525 ( 1.341 2.101 -1.706) 3.020 20.883 ( 1.680 -1.779 0.602) 2.520 20.883 ( 1.680 1.779 0.602) 2.520 21.006 ( 0.763 -1.299 -2.891) 3.260 21.006 ( 0.763 1.299 -2.891) 3.260 21.159 ( -0.876 -2.103 -5.574) 6.021 21.159 ( -0.876 2.103 -5.574) 6.021 21.357 ( 2.521 -1.886 -3.879) 4.996 21.357 ( 2.521 1.886 -3.879) 4.996 21.654 ( -0.931 -5.527 -0.361) 5.616 21.654 ( -0.931 5.527 -0.361) 5.616 21.876 ( 1.818 -1.097 5.324) 5.732 21.876 ( 1.818 1.097 5.324) 5.732 22.363 ( -3.604 -2.370 -4.300) 6.091 22.363 ( -3.604 2.370 -4.300) 6.091 22.955 ( -1.543 -2.484 -0.411) 2.953 22.955 ( -1.543 2.484 -0.411) 2.953 23.002 ( 0.803 -0.971 4.715) 4.881 23.002 ( 0.803 0.971 4.715) 4.881 23.215 ( -1.574 -1.868 7.589) 7.972 23.215 ( -1.574 1.868 7.589) 7.972 23.297 ( -3.030 -2.944 6.184) 7.490 23.297 ( -3.030 2.944 6.184) 7.490 23.932 ( -0.628 -1.313 0.826) 1.673 23.932 ( -0.628 1.313 0.826) 1.673 24.126 ( 1.553 -3.906 2.299) 4.791 24.126 ( 1.553 3.906 2.299) 4.791 24.355 ( -0.466 -2.920 1.089) 3.151 24.355 ( -0.466 2.920 1.089) 3.151 24.629 ( 0.670 -7.155 -4.534) 8.497 24.629 ( 0.670 7.155 -4.534) 8.497 ======================= Grid point 66 (38/63) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -2.500 -7.338 4.938) 9.191 0.708 ( -2.500 7.338 4.938) 9.191 0.860 ( 0.342 -0.804 3.081) 3.202 0.860 ( 0.342 0.804 3.081) 3.202 1.024 ( -1.870 -3.539 1.674) 4.339 1.024 ( -1.870 3.539 1.674) 4.339 1.124 ( -1.270 -0.480 2.681) 3.005 1.124 ( -1.270 0.480 2.681) 3.005 1.212 ( 1.855 -2.947 1.146) 3.666 1.212 ( 1.855 2.947 1.146) 3.666 1.287 ( 2.642 -2.083 3.811) 5.084 1.287 ( 2.642 2.083 3.811) 5.084 1.361 ( 2.183 -3.010 -0.675) 3.779 1.361 ( 2.183 3.010 -0.675) 3.779 1.468 ( 0.263 -1.800 -3.453) 3.902 1.468 ( 0.263 1.800 -3.453) 3.902 1.590 ( -1.273 -1.591 2.617) 3.316 1.590 ( -1.273 1.591 2.617) 3.316 1.619 ( -2.139 -5.729 3.569) 7.080 1.619 ( -2.139 5.729 3.569) 7.080 1.719 ( -3.288 -2.835 0.215) 4.347 1.719 ( -3.288 2.835 0.215) 4.347 1.764 ( 2.845 -2.440 0.918) 3.859 1.764 ( 2.845 2.440 0.918) 3.859 1.870 ( -1.995 -1.441 2.389) 3.430 1.870 ( -1.995 1.441 2.389) 3.430 2.039 ( -3.954 -3.617 11.835) 12.992 2.039 ( -3.954 3.617 11.835) 12.992 2.114 ( -3.481 -1.021 10.855) 11.445 2.114 ( -3.481 1.021 10.855) 11.445 2.299 ( 2.182 -2.624 4.339) 5.521 2.299 ( 2.182 2.624 4.339) 5.521 2.393 ( -0.909 -1.907 7.640) 7.926 2.393 ( -0.909 1.907 7.640) 7.926 2.610 ( -0.513 -7.001 6.435) 9.523 2.610 ( -0.513 7.001 6.435) 9.523 2.705 ( -1.716 -0.963 10.351) 10.536 2.705 ( -1.716 0.963 10.351) 10.536 2.780 ( -0.409 -2.507 -2.470) 3.543 2.780 ( -0.409 2.507 -2.470) 3.543 2.876 ( 0.208 -5.507 2.300) 5.971 2.876 ( 0.208 5.507 2.300) 5.971 3.190 ( -3.584 -4.142 4.550) 7.121 3.190 ( -3.584 4.142 4.550) 7.121 3.274 ( -2.339 -0.724 -6.920) 7.340 3.274 ( -2.339 0.724 -6.920) 7.340 3.542 ( 1.990 -0.810 -6.185) 6.547 3.542 ( 1.990 0.810 -6.185) 6.547 3.647 ( -2.648 -8.339 0.462) 8.761 3.647 ( -2.648 8.339 0.462) 8.761 3.784 ( 2.980 -4.887 -3.770) 6.854 3.784 ( 2.980 4.887 -3.770) 6.854 3.908 ( -1.033 -7.593 -5.652) 9.522 3.908 ( -1.033 7.593 -5.652) 9.522 4.064 ( 1.199 -4.244 -4.361) 6.202 4.064 ( 1.199 4.244 -4.361) 6.202 4.234 ( 3.673 -4.492 -5.225) 7.809 4.234 ( 3.673 4.492 -5.225) 7.809 4.379 ( -0.566 -3.989 -2.276) 4.627 4.379 ( -0.566 3.989 -2.276) 4.627 4.644 ( -1.215 -1.097 0.706) 1.783 4.644 ( -1.215 1.097 0.706) 1.783 4.708 ( -0.022 -2.851 -2.264) 3.640 4.708 ( -0.022 2.851 -2.264) 3.640 5.111 ( -1.496 -2.141 4.341) 5.066 5.111 ( -1.496 2.141 4.341) 5.066 5.175 ( 0.501 -3.291 5.478) 6.410 5.175 ( 0.501 3.291 5.478) 6.410 5.417 ( 0.676 -1.334 1.327) 1.999 5.417 ( 0.676 1.334 1.327) 1.999 5.897 ( -0.349 -4.761 3.760) 6.077 5.897 ( -0.349 4.761 3.760) 6.077 6.409 ( 0.723 -5.339 4.246) 6.860 6.409 ( 0.723 5.339 4.246) 6.860 6.678 ( -0.108 -7.333 -2.307) 7.688 6.678 ( -0.108 7.333 -2.307) 7.688 7.247 ( -0.840 -4.871 2.901) 5.731 7.247 ( -0.840 4.871 2.901) 5.731 7.548 ( 1.382 -3.995 -3.281) 5.352 7.548 ( 1.382 3.995 -3.281) 5.352 7.900 ( 0.368 -1.486 -2.498) 2.930 7.900 ( 0.368 1.486 -2.498) 2.930 8.000 ( 2.188 -1.280 -15.809) 16.011 8.000 ( 2.188 1.280 -15.809) 16.011 8.215 ( 0.193 -1.218 -4.726) 4.884 8.215 ( 0.193 1.218 -4.726) 4.884 8.364 ( 0.726 -2.066 -3.545) 4.167 8.364 ( 0.726 2.066 -3.545) 4.167 8.868 ( -1.086 -3.449 -1.806) 4.042 8.868 ( -1.086 3.449 -1.806) 4.042 9.155 ( 2.229 -7.376 -3.422) 8.432 9.155 ( 2.229 7.376 -3.422) 8.432 9.626 ( -0.604 -4.268 -0.626) 4.356 9.626 ( -0.604 4.268 -0.626) 4.356 9.919 ( 0.297 -4.677 4.167) 6.271 9.919 ( 0.297 4.677 4.167) 6.271 10.249 ( -0.331 -1.217 -0.939) 1.572 10.249 ( -0.331 1.217 -0.939) 1.572 10.360 ( 0.245 -2.514 0.209) 2.534 10.360 ( 0.245 2.514 0.209) 2.534 11.222 ( -3.269 -13.391 8.439) 16.162 11.222 ( -3.269 13.391 8.439) 16.162 11.708 ( 1.091 -2.117 -1.256) 2.693 11.708 ( 1.091 2.117 -1.256) 2.693 12.047 ( 4.289 -4.063 -13.099) 14.369 12.047 ( 4.289 4.063 -13.099) 14.369 12.123 ( 2.437 -1.355 -11.904) 12.226 12.123 ( 2.437 1.355 -11.904) 12.226 12.643 ( -0.950 -8.820 -1.691) 9.031 12.643 ( -0.950 8.820 -1.691) 9.031 12.980 ( 1.371 -4.338 2.187) 5.048 12.980 ( 1.371 4.338 2.187) 5.048 13.192 ( -1.369 -10.146 -0.754) 10.266 13.192 ( -1.369 10.146 -0.754) 10.266 13.527 ( 1.168 -2.499 -5.651) 6.288 13.527 ( 1.168 2.499 -5.651) 6.288 14.093 ( 0.230 -4.829 7.017) 8.521 14.093 ( 0.230 4.829 7.017) 8.521 14.259 ( -2.234 -2.784 3.698) 5.140 14.259 ( -2.234 2.784 3.698) 5.140 14.663 ( -0.576 -4.387 0.656) 4.473 14.663 ( -0.576 4.387 0.656) 4.473 14.802 ( -1.125 -2.175 5.273) 5.814 14.802 ( -1.125 2.175 5.273) 5.814 20.555 ( 1.597 -1.739 -0.925) 2.536 20.555 ( 1.597 1.739 -0.925) 2.536 20.876 ( -0.570 -2.917 -2.007) 3.586 20.876 ( -0.570 2.917 -2.007) 3.586 21.023 ( -0.430 -0.700 -2.590) 2.717 21.023 ( -0.430 0.700 -2.590) 2.717 21.147 ( 1.692 -1.386 -2.053) 3.000 21.147 ( 1.692 1.386 -2.053) 3.000 21.380 ( 1.209 -4.235 -6.295) 7.682 21.380 ( 1.209 4.235 -6.295) 7.682 21.652 ( 1.120 -5.548 -1.084) 5.763 21.652 ( 1.120 5.548 -1.084) 5.763 21.910 ( -0.683 -1.747 4.838) 5.189 21.910 ( -0.683 1.747 4.838) 5.189 22.283 ( -2.110 -2.760 -2.445) 4.249 22.283 ( -2.110 2.760 -2.445) 4.249 22.929 ( -0.722 -3.651 0.754) 3.797 22.929 ( -0.722 3.651 0.754) 3.797 23.037 ( 1.141 -1.651 2.901) 3.527 23.037 ( 1.141 1.651 2.901) 3.527 23.212 ( -1.625 -1.134 7.290) 7.554 23.212 ( -1.625 1.134 7.290) 7.554 23.271 ( -1.371 -3.653 7.327) 8.301 23.271 ( -1.371 3.653 7.327) 8.301 23.924 ( -0.359 -1.519 0.530) 1.648 23.924 ( -0.359 1.519 0.530) 1.648 24.120 ( -2.333 -3.775 2.190) 4.948 24.120 ( -2.333 3.775 2.190) 4.948 24.407 ( 4.243 -3.589 1.267) 5.700 24.407 ( 4.243 3.589 1.267) 5.700 24.625 ( 0.532 -5.766 -4.839) 7.546 24.625 ( 0.532 5.766 -4.839) 7.546 ======================= Grid point 68 (39/63) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -1.281 -6.639 5.942) 9.002 0.680 ( -1.281 6.639 5.942) 9.002 0.841 ( -3.591 -8.421 -0.228) 9.157 0.841 ( -3.591 8.421 -0.228) 9.157 1.021 ( 1.337 -5.124 4.150) 6.728 1.021 ( 1.337 5.124 4.150) 6.728 1.095 ( -2.156 -0.773 2.130) 3.127 1.095 ( -2.156 0.773 2.130) 3.127 1.216 ( -0.884 -1.954 -0.220) 2.155 1.216 ( -0.884 1.954 -0.220) 2.155 1.366 ( -0.214 -3.065 4.046) 5.080 1.366 ( -0.214 3.065 4.046) 5.080 1.385 ( 1.253 -3.275 1.044) 3.658 1.385 ( 1.253 3.275 1.044) 3.658 1.454 ( 0.380 -2.799 -1.450) 3.175 1.454 ( 0.380 2.799 -1.450) 3.175 1.569 ( -1.332 -3.613 2.277) 4.474 1.569 ( -1.332 3.613 2.277) 4.474 1.614 ( 0.504 -3.224 2.236) 3.956 1.614 ( 0.504 3.224 2.236) 3.956 1.695 ( 0.365 -2.300 3.094) 3.873 1.695 ( 0.365 2.300 3.094) 3.873 1.790 ( -0.900 -3.561 1.883) 4.128 1.790 ( -0.900 3.561 1.883) 4.128 1.890 ( 3.067 -1.421 1.368) 3.646 1.890 ( 3.067 1.421 1.368) 3.646 2.021 ( -1.889 -4.688 10.293) 11.467 2.021 ( -1.889 4.688 10.293) 11.467 2.101 ( -0.654 -1.947 12.516) 12.684 2.101 ( -0.654 1.947 12.516) 12.684 2.346 ( -0.156 -4.370 3.895) 5.857 2.346 ( -0.156 4.370 3.895) 5.857 2.400 ( 0.274 -2.962 4.674) 5.540 2.400 ( 0.274 2.962 4.674) 5.540 2.591 ( -3.544 -7.026 6.435) 10.165 2.591 ( -3.544 7.026 6.435) 10.165 2.706 ( -1.319 -1.996 9.710) 10.000 2.706 ( -1.319 1.996 9.710) 10.000 2.770 ( -0.279 -2.701 0.927) 2.869 2.770 ( -0.279 2.701 0.927) 2.869 2.892 ( 0.593 -7.897 -0.227) 7.923 2.892 ( 0.593 7.897 -0.227) 7.923 3.138 ( -2.419 -4.191 3.516) 5.982 3.138 ( -2.419 4.191 3.516) 5.982 3.224 ( -0.423 -3.122 -5.783) 6.585 3.224 ( -0.423 3.122 -5.783) 6.585 3.495 ( -2.907 -3.098 -3.609) 5.574 3.495 ( -2.907 3.098 -3.609) 5.574 3.605 ( -0.944 -5.410 -3.792) 6.673 3.605 ( -0.944 5.410 -3.792) 6.673 3.812 ( -0.347 -5.395 -2.290) 5.871 3.812 ( -0.347 5.395 -2.290) 5.871 3.883 ( 0.217 -7.891 -3.367) 8.582 3.883 ( 0.217 7.891 -3.367) 8.582 4.059 ( 0.159 -6.662 -4.513) 8.048 4.059 ( 0.159 6.662 -4.513) 8.048 4.262 ( 1.021 -5.461 -4.731) 7.297 4.262 ( 1.021 5.461 -4.731) 7.297 4.341 ( -1.781 -3.918 -3.453) 5.517 4.341 ( -1.781 3.918 -3.453) 5.517 4.622 ( -0.186 -3.618 -0.700) 3.689 4.622 ( -0.186 3.618 -0.700) 3.689 4.733 ( 1.852 -1.411 -1.516) 2.778 4.733 ( 1.852 1.411 -1.516) 2.778 5.064 ( -3.463 -2.871 4.686) 6.496 5.064 ( -3.463 2.871 4.686) 6.496 5.197 ( -0.381 -1.493 5.688) 5.893 5.197 ( -0.381 1.493 5.688) 5.893 5.487 ( 4.347 -3.887 2.020) 6.171 5.487 ( 4.347 3.887 2.020) 6.171 5.893 ( -1.281 -4.409 3.551) 5.804 5.893 ( -1.281 4.409 3.551) 5.804 6.443 ( 0.969 -5.386 3.805) 6.666 6.443 ( 0.969 5.386 3.805) 6.666 6.661 ( -0.670 -7.272 -2.116) 7.603 6.661 ( -0.670 7.272 -2.116) 7.603 7.223 ( -2.194 -6.060 2.714) 6.993 7.223 ( -2.194 6.060 2.714) 6.993 7.561 ( 0.887 -3.929 -3.375) 5.255 7.561 ( 0.887 3.929 -3.375) 5.255 7.908 ( 1.155 -1.256 -2.061) 2.675 7.908 ( 1.155 1.256 -2.061) 2.675 7.989 ( 2.028 -1.531 -15.278) 15.488 7.989 ( 2.028 1.531 -15.278) 15.488 8.204 ( 0.671 -1.235 -5.990) 6.153 8.204 ( 0.671 1.235 -5.990) 6.153 8.362 ( 0.172 -1.797 -3.062) 3.554 8.362 ( 0.172 1.797 -3.062) 3.554 8.837 ( -0.912 -3.134 -1.940) 3.798 8.837 ( -0.912 3.134 -1.940) 3.798 9.186 ( 1.355 -7.622 -2.163) 8.038 9.186 ( 1.355 7.622 -2.163) 8.038 9.606 ( -0.831 -5.898 -0.102) 5.957 9.606 ( -0.831 5.898 -0.102) 5.957 9.989 ( 4.685 -2.588 3.023) 6.147 9.989 ( 4.685 2.588 3.023) 6.147 10.234 ( -0.749 -1.499 -0.901) 1.903 10.234 ( -0.749 1.499 -0.901) 1.903 10.352 ( -1.299 -3.130 0.826) 3.488 10.352 ( -1.299 3.130 0.826) 3.488 11.194 ( -2.029 -13.426 7.972) 15.746 11.194 ( -2.029 13.426 7.972) 15.746 11.721 ( 0.643 -1.785 -1.565) 2.459 11.721 ( 0.643 1.785 -1.565) 2.459 12.051 ( 1.128 -2.901 -14.934) 15.255 12.051 ( 1.128 2.901 -14.934) 15.255 12.150 ( 3.384 -1.781 -11.394) 12.018 12.150 ( 3.384 1.781 -11.394) 12.018 12.640 ( 0.655 -6.913 2.356) 7.333 12.640 ( 0.655 6.913 2.356) 7.333 12.972 ( -1.651 -4.063 -4.609) 6.362 12.972 ( -1.651 4.063 -4.609) 6.362 13.197 ( 1.483 -8.403 2.188) 8.809 13.197 ( 1.483 8.403 2.188) 8.809 13.524 ( 0.460 -2.916 -5.526) 6.265 13.524 ( 0.460 2.916 -5.526) 6.265 14.089 ( -2.676 -1.918 5.922) 6.776 14.089 ( -2.676 1.918 5.922) 6.776 14.284 ( 2.750 -3.000 7.162) 8.238 14.284 ( 2.750 3.000 7.162) 8.238 14.637 ( -2.044 -0.970 0.272) 2.279 14.637 ( -2.044 0.970 0.272) 2.279 14.782 ( -2.294 -2.477 4.567) 5.680 14.782 ( -2.294 2.477 4.567) 5.680 20.567 ( -0.123 -0.596 -0.838) 1.035 20.567 ( -0.123 0.596 -0.838) 1.035 20.866 ( -0.840 -3.604 -2.984) 4.754 20.866 ( -0.840 3.604 -2.984) 4.754 20.984 ( -0.202 -1.360 -3.712) 3.959 20.984 ( -0.202 1.360 -3.712) 3.959 21.186 ( 1.890 -0.505 -0.685) 2.073 21.186 ( 1.890 0.505 -0.685) 2.073 21.359 ( -0.860 -5.630 -7.146) 9.138 21.359 ( -0.860 5.630 -7.146) 9.138 21.687 ( 2.447 -5.129 -0.964) 5.764 21.687 ( 2.447 5.129 -0.964) 5.764 21.866 ( -4.705 -4.160 3.524) 7.202 21.866 ( -4.705 4.160 3.524) 7.202 22.295 ( 3.615 -2.281 -1.006) 4.392 22.295 ( 3.615 2.281 -1.006) 4.392 22.935 ( 0.586 -3.700 2.366) 4.431 22.935 ( 0.586 3.700 2.366) 4.431 23.056 ( -0.174 -2.776 0.322) 2.800 23.056 ( -0.174 2.776 0.322) 2.800 23.211 ( -0.337 -0.410 7.261) 7.280 23.211 ( -0.337 0.410 7.261) 7.280 23.286 ( -0.263 -4.548 8.816) 9.924 23.286 ( -0.263 4.548 8.816) 9.924 23.926 ( 0.390 -1.871 1.128) 2.219 23.926 ( 0.390 1.871 1.128) 2.219 24.069 ( -3.053 -3.180 1.568) 4.679 24.069 ( -3.053 3.180 1.568) 4.679 24.491 ( 3.242 -4.162 -0.270) 5.283 24.491 ( 3.242 4.162 -0.270) 5.283 24.617 ( 0.136 -3.386 -4.373) 5.532 24.617 ( 0.136 3.386 -4.373) 5.532 ======================= Grid point 75 (40/63) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 9.385 0.000 13.465) 16.413 0.771 ( 1.144 0.000 13.088) 13.138 1.004 ( 0.194 0.000 1.789) 1.800 1.028 ( 0.728 0.000 1.468) 1.638 1.059 ( 4.584 0.000 3.427) 5.723 1.112 ( -2.773 0.000 -2.652) 3.837 1.165 ( -3.159 0.000 1.123) 3.353 1.206 ( -1.011 0.000 0.747) 1.257 1.265 ( 0.277 0.000 5.294) 5.301 1.270 ( -4.184 0.000 0.871) 4.274 1.334 ( 2.770 0.000 1.692) 3.246 1.342 ( -0.396 0.000 -0.135) 0.418 1.430 ( 0.028 0.000 -1.842) 1.842 1.459 ( -4.682 0.000 2.780) 5.445 1.490 ( 0.108 0.000 -0.171) 0.202 1.522 ( -1.157 0.000 -3.630) 3.810 1.632 ( 0.551 0.000 1.224) 1.343 1.647 ( -4.258 0.000 0.265) 4.266 1.664 ( 1.535 0.000 0.768) 1.717 1.672 ( -5.448 0.000 -0.652) 5.487 1.702 ( 1.927 0.000 0.926) 2.138 1.762 ( 0.333 0.000 3.054) 3.072 1.821 ( 3.398 0.000 -2.106) 3.997 1.828 ( 1.413 0.000 -2.886) 3.213 1.892 ( -2.136 0.000 0.254) 2.151 1.956 ( 4.860 0.000 -3.615) 6.057 1.995 ( -1.134 0.000 -1.816) 2.141 2.021 ( 3.981 0.000 1.964) 4.439 2.117 ( -0.903 0.000 2.217) 2.394 2.185 ( 3.141 0.000 4.041) 5.118 2.275 ( -0.876 0.000 -4.540) 4.624 2.323 ( 4.145 0.000 1.182) 4.311 2.401 ( -1.416 0.000 1.848) 2.328 2.520 ( -4.870 0.000 -1.021) 4.976 2.655 ( -0.931 0.000 4.974) 5.061 2.745 ( -0.930 0.000 10.124) 10.167 2.754 ( -0.474 0.000 10.946) 10.957 2.825 ( -3.893 0.000 0.904) 3.996 2.898 ( -4.450 0.000 5.376) 6.979 2.912 ( -3.600 0.000 5.753) 6.787 2.976 ( -3.044 0.000 3.429) 4.585 3.088 ( 8.215 0.000 -3.366) 8.878 3.148 ( -1.052 0.000 11.864) 11.911 3.207 ( -2.255 0.000 3.073) 3.812 3.262 ( -0.129 0.000 -2.011) 2.015 3.275 ( -2.862 0.000 8.386) 8.860 3.368 ( 2.539 0.000 4.555) 5.215 3.450 ( -1.311 0.000 0.665) 1.470 3.483 ( 0.281 0.000 -7.827) 7.832 3.606 ( 7.007 0.000 5.198) 8.725 3.614 ( 1.765 0.000 -5.729) 5.995 3.823 ( -0.399 0.000 4.019) 4.039 3.889 ( 2.285 0.000 1.658) 2.823 3.949 ( -1.235 0.000 2.291) 2.603 3.949 ( 0.382 0.000 0.118) 0.400 3.985 ( -1.875 0.000 -9.258) 9.446 4.139 ( -1.677 0.000 0.382) 1.720 4.220 ( 0.204 0.000 -4.113) 4.118 4.276 ( -3.853 0.000 -4.698) 6.076 4.280 ( 0.137 0.000 -3.948) 3.950 4.465 ( -0.152 0.000 -4.473) 4.476 4.482 ( 1.075 0.000 -3.141) 3.320 4.838 ( 0.800 0.000 2.520) 2.644 4.940 ( 1.496 0.000 -2.927) 3.287 5.157 ( 3.296 0.000 3.626) 4.900 5.245 ( 0.479 0.000 0.643) 0.802 5.254 ( -4.992 0.000 4.307) 6.593 5.288 ( 1.003 0.000 0.053) 1.004 5.470 ( -3.586 0.000 5.298) 6.398 5.493 ( -1.439 0.000 4.982) 5.186 5.868 ( -0.261 0.000 4.044) 4.052 5.962 ( 0.655 0.000 -1.475) 1.613 6.340 ( -0.770 0.000 0.626) 0.992 6.360 ( 0.872 0.000 -0.166) 0.888 6.647 ( -0.981 0.000 2.280) 2.482 6.729 ( -0.539 0.000 -1.686) 1.770 7.176 ( -0.005 0.000 1.193) 1.193 7.293 ( -0.956 0.000 -4.453) 4.554 7.403 ( 1.870 0.000 -3.687) 4.134 7.520 ( -1.415 0.000 -10.617) 10.711 7.700 ( 6.535 0.000 -10.079) 12.012 7.717 ( -1.957 0.000 -7.030) 7.297 7.815 ( 2.819 0.000 -4.414) 5.237 7.902 ( 0.639 0.000 -3.847) 3.900 8.140 ( 1.132 0.000 -1.565) 1.932 8.167 ( 1.249 0.000 -1.800) 2.190 8.263 ( 0.173 0.000 3.835) 3.839 8.397 ( -1.912 0.000 -1.600) 2.493 8.831 ( -0.485 0.000 -0.632) 0.796 8.840 ( -0.549 0.000 0.898) 1.052 8.886 ( 4.334 0.000 -4.741) 6.423 9.067 ( 0.031 0.000 -7.085) 7.085 9.705 ( 0.387 0.000 3.315) 3.338 9.750 ( -2.581 0.000 1.073) 2.795 10.038 ( 0.750 0.000 3.899) 3.970 10.140 ( 0.571 0.000 -1.842) 1.928 10.200 ( 0.288 0.000 -1.232) 1.265 10.239 ( -1.495 0.000 0.549) 1.592 10.336 ( -0.178 0.000 1.772) 1.781 10.402 ( 0.672 0.000 -2.146) 2.249 11.143 ( -2.488 0.000 14.983) 15.188 11.626 ( 2.011 0.000 -3.935) 4.419 11.679 ( -2.748 0.000 -2.220) 3.533 11.709 ( 1.199 0.000 -11.900) 11.961 11.786 ( 3.705 0.000 -3.264) 4.938 11.856 ( -2.883 0.000 -5.142) 5.895 11.857 ( 0.891 0.000 -2.433) 2.591 11.972 ( 4.308 0.000 -8.404) 9.444 12.359 ( -4.369 0.000 5.611) 7.112 12.707 ( -0.673 0.000 -5.132) 5.176 12.885 ( 3.942 0.000 -0.864) 4.036 12.956 ( 2.567 0.000 1.408) 2.928 13.184 ( 1.685 0.000 3.910) 4.257 13.403 ( -2.307 0.000 -4.619) 5.163 13.602 ( -1.080 0.000 2.344) 2.581 13.768 ( 2.170 0.000 -6.899) 7.233 14.085 ( -4.109 0.000 5.683) 7.012 14.174 ( -4.149 0.000 4.488) 6.112 14.277 ( 1.063 0.000 -2.037) 2.298 14.306 ( -0.438 0.000 0.195) 0.480 14.578 ( 4.321 0.000 6.626) 7.910 14.712 ( -1.442 0.000 0.256) 1.465 14.798 ( 1.272 0.000 1.938) 2.318 14.798 ( -2.725 0.000 2.646) 3.798 20.490 ( -3.622 0.000 0.065) 3.623 20.545 ( -0.931 0.000 -2.611) 2.772 20.711 ( 2.593 0.000 1.534) 3.013 20.855 ( -0.514 0.000 -5.520) 5.544 20.955 ( 3.260 0.000 -1.551) 3.610 20.993 ( 3.082 0.000 -2.846) 4.195 21.117 ( -1.885 0.000 2.978) 3.524 21.164 ( -1.214 0.000 -0.418) 1.284 21.175 ( 0.153 0.000 -1.414) 1.422 21.259 ( -0.222 0.000 -4.787) 4.792 21.649 ( 0.789 0.000 0.866) 1.171 21.746 ( -1.730 0.000 -3.621) 4.013 21.869 ( -0.718 0.000 5.537) 5.584 22.125 ( 2.755 0.000 -7.442) 7.935 22.132 ( -1.901 0.000 5.453) 5.775 22.356 ( 2.446 0.000 -3.785) 4.507 22.920 ( 0.560 0.000 0.371) 0.672 22.932 ( 2.125 0.000 0.455) 2.173 23.075 ( -0.866 0.000 1.408) 1.653 23.109 ( -1.131 0.000 0.697) 1.328 23.310 ( -1.395 0.000 5.644) 5.814 23.330 ( -0.984 0.000 5.033) 5.128 23.422 ( 0.805 0.000 8.037) 8.077 23.578 ( -1.334 0.000 0.576) 1.453 23.942 ( 0.616 0.000 1.959) 2.054 23.947 ( -0.310 0.000 1.790) 1.816 24.062 ( 0.331 0.000 2.044) 2.071 24.170 ( -0.551 0.000 5.787) 5.813 24.231 ( 2.072 0.000 -6.475) 6.798 24.433 ( -4.041 0.000 -6.828) 7.934 24.562 ( -3.164 0.000 4.711) 5.675 24.709 ( 3.567 0.000 -3.702) 5.141 ======================= Grid point 76 (41/63) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 1.899 0.000 8.173) 8.390 0.896 ( -0.979 0.000 2.891) 3.052 0.980 ( -5.340 0.000 1.912) 5.672 1.026 ( 1.191 0.000 3.803) 3.985 1.048 ( -3.359 0.000 -5.448) 6.401 1.091 ( -1.526 0.000 5.871) 6.066 1.166 ( 2.683 0.000 -0.436) 2.719 1.185 ( 0.182 0.000 1.615) 1.625 1.228 ( 0.440 0.000 1.082) 1.168 1.256 ( -2.068 0.000 8.181) 8.439 1.316 ( -1.392 0.000 -1.625) 2.139 1.359 ( -2.664 0.000 0.930) 2.821 1.385 ( -1.963 0.000 2.120) 2.889 1.393 ( -7.326 0.000 -1.019) 7.396 1.487 ( -0.260 0.000 -2.772) 2.784 1.511 ( 6.368 0.000 -0.409) 6.381 1.585 ( -2.746 0.000 -0.573) 2.805 1.613 ( 1.052 0.000 0.864) 1.362 1.620 ( -2.073 0.000 3.635) 4.184 1.670 ( -2.240 0.000 -0.616) 2.323 1.739 ( 0.461 0.000 1.328) 1.406 1.763 ( 0.053 0.000 -1.907) 1.908 1.823 ( -1.896 0.000 1.639) 2.506 1.872 ( 0.245 0.000 1.302) 1.325 1.886 ( 2.107 0.000 -1.573) 2.630 1.957 ( -0.912 0.000 -0.912) 1.290 1.993 ( -0.197 0.000 0.136) 0.240 2.082 ( 2.901 0.000 -2.671) 3.944 2.137 ( 1.877 0.000 0.545) 1.954 2.271 ( 4.318 0.000 -3.190) 5.368 2.299 ( -2.980 0.000 -3.107) 4.305 2.326 ( 6.586 0.000 2.618) 7.088 2.404 ( -6.313 0.000 -1.748) 6.550 2.507 ( 5.353 0.000 6.244) 8.225 2.641 ( -2.087 0.000 7.865) 8.137 2.760 ( 0.649 0.000 9.975) 9.996 2.817 ( 4.531 0.000 6.433) 7.869 2.827 ( -1.327 0.000 6.148) 6.290 2.881 ( 1.474 0.000 6.611) 6.773 2.900 ( -0.715 0.000 5.384) 5.431 2.939 ( 0.479 0.000 2.563) 2.607 3.146 ( -3.662 0.000 1.118) 3.829 3.151 ( -2.268 0.000 8.040) 8.354 3.250 ( -2.537 0.000 9.978) 10.295 3.256 ( -0.410 0.000 0.758) 0.862 3.330 ( 14.395 0.000 -7.199) 16.095 3.418 ( 2.127 0.000 -0.047) 2.127 3.438 ( -1.113 0.000 -9.516) 9.581 3.438 ( -0.656 0.000 2.363) 2.452 3.583 ( -4.411 0.000 3.885) 5.878 3.741 ( 3.282 0.000 7.325) 8.027 3.794 ( -3.622 0.000 4.339) 5.653 3.822 ( -4.295 0.000 -11.045) 11.851 3.873 ( -2.920 0.000 -0.667) 2.995 3.971 ( 1.420 0.000 -1.642) 2.170 4.088 ( 7.538 0.000 -1.083) 7.615 4.124 ( 0.408 0.000 1.491) 1.546 4.192 ( -2.065 0.000 -4.610) 5.052 4.237 ( 2.287 0.000 -3.310) 4.024 4.255 ( -1.460 0.000 -1.609) 2.173 4.478 ( 3.082 0.000 -6.555) 7.243 4.489 ( 0.393 0.000 -1.696) 1.741 4.837 ( -1.289 0.000 0.585) 1.416 4.893 ( -4.341 0.000 -3.094) 5.331 5.156 ( -5.176 0.000 4.505) 6.862 5.219 ( -2.327 0.000 -0.278) 2.343 5.232 ( 1.876 0.000 3.275) 3.775 5.311 ( 0.307 0.000 1.877) 1.902 5.458 ( 0.794 0.000 6.202) 6.252 5.512 ( 0.893 0.000 5.743) 5.813 5.878 ( -0.106 0.000 3.441) 3.443 5.988 ( 1.967 0.000 -1.400) 2.414 6.347 ( 1.421 0.000 -0.377) 1.470 6.378 ( 0.656 0.000 0.424) 0.782 6.636 ( -0.852 0.000 3.248) 3.358 6.739 ( 2.025 0.000 -1.314) 2.414 7.192 ( 0.775 0.000 2.767) 2.874 7.272 ( 0.465 0.000 -4.240) 4.266 7.435 ( 2.028 0.000 -0.922) 2.228 7.463 ( -0.138 0.000 -12.653) 12.654 7.643 ( -1.935 0.000 -10.544) 10.720 7.784 ( 4.705 0.000 -8.035) 9.311 7.846 ( 1.585 0.000 -4.305) 4.588 7.883 ( -1.238 0.000 -5.700) 5.833 8.154 ( 1.064 0.000 -3.145) 3.320 8.180 ( 0.336 0.000 -1.481) 1.519 8.274 ( -0.847 0.000 5.693) 5.756 8.360 ( -0.787 0.000 -2.494) 2.615 8.780 ( -1.567 0.000 -4.055) 4.347 8.864 ( 0.508 0.000 2.487) 2.539 8.929 ( 0.743 0.000 -4.711) 4.769 9.038 ( 0.085 0.000 -7.008) 7.009 9.683 ( -3.286 0.000 3.997) 5.175 9.685 ( -3.275 0.000 1.275) 3.514 10.050 ( -1.253 0.000 4.960) 5.116 10.178 ( 3.480 0.000 -3.378) 4.850 10.211 ( 1.193 0.000 -2.040) 2.363 10.217 ( -0.931 0.000 0.836) 1.251 10.366 ( 2.214 0.000 1.680) 2.779 10.413 ( 0.906 0.000 -0.596) 1.085 11.145 ( -2.634 0.000 15.841) 16.059 11.611 ( -2.725 0.000 -1.948) 3.349 11.656 ( 2.421 0.000 -5.767) 6.254 11.687 ( -0.155 0.000 -7.249) 7.251 11.797 ( -0.412 0.000 -7.674) 7.685 11.822 ( 1.172 0.000 -5.747) 5.865 11.889 ( 2.735 0.000 -2.768) 3.891 12.019 ( 3.015 0.000 -8.095) 8.638 12.329 ( -1.150 0.000 10.976) 11.036 12.681 ( 0.052 0.000 -6.113) 6.113 12.917 ( -4.007 0.000 -4.799) 6.252 12.932 ( 0.238 0.000 0.303) 0.385 13.263 ( 1.801 0.000 6.884) 7.116 13.365 ( 1.036 0.000 -6.748) 6.827 13.611 ( 1.289 0.000 1.888) 2.286 13.787 ( 1.914 0.000 -6.983) 7.241 14.053 ( -0.346 0.000 7.775) 7.782 14.112 ( -3.199 0.000 5.174) 6.083 14.304 ( 1.559 0.000 0.556) 1.655 14.309 ( -0.115 0.000 0.567) 0.579 14.618 ( -4.981 0.000 -1.384) 5.170 14.633 ( -1.748 0.000 4.196) 4.545 14.784 ( 1.176 0.000 3.137) 3.350 14.875 ( 3.327 0.000 2.252) 4.017 20.445 ( -0.738 0.000 1.267) 1.466 20.534 ( 0.554 0.000 -0.291) 0.626 20.806 ( 5.736 0.000 2.283) 6.174 20.866 ( 3.332 0.000 -5.427) 6.368 20.959 ( -1.986 0.000 -3.288) 3.841 21.004 ( -0.968 0.000 -7.244) 7.309 21.102 ( -1.830 0.000 2.481) 3.082 21.134 ( -0.606 0.000 0.543) 0.814 21.172 ( 0.586 0.000 -0.888) 1.064 21.233 ( -0.988 0.000 -2.592) 2.774 21.693 ( -1.760 0.000 -2.706) 3.228 21.701 ( 3.353 0.000 1.513) 3.679 21.910 ( 2.866 0.000 4.027) 4.943 22.110 ( -2.430 0.000 6.385) 6.832 22.165 ( 3.199 0.000 -7.198) 7.877 22.362 ( -0.344 0.000 -5.299) 5.310 22.934 ( -1.832 0.000 -1.048) 2.111 22.939 ( 1.389 0.000 -2.537) 2.893 23.064 ( -0.698 0.000 2.963) 3.044 23.086 ( -1.249 0.000 1.307) 1.808 23.305 ( -1.022 0.000 6.652) 6.730 23.326 ( -1.291 0.000 4.719) 4.892 23.444 ( -1.384 0.000 7.670) 7.794 23.537 ( -2.536 0.000 1.070) 2.752 23.956 ( 0.814 0.000 0.086) 0.819 23.959 ( 0.205 0.000 3.147) 3.154 24.034 ( -2.248 0.000 0.645) 2.339 24.206 ( -2.346 0.000 -5.522) 6.000 24.255 ( 5.108 0.000 6.654) 8.388 24.375 ( 0.421 0.000 -3.753) 3.777 24.497 ( -4.433 0.000 4.065) 6.014 24.730 ( 0.196 0.000 -4.116) 4.120 ======================= Grid point 77 (42/63) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -10.811 0.000 0.340) 10.817 0.826 ( -6.499 0.000 4.513) 7.912 0.926 ( 0.585 0.000 3.761) 3.806 1.010 ( 2.456 0.000 -5.685) 6.192 1.041 ( -2.006 0.000 3.059) 3.658 1.081 ( 0.042 0.000 2.293) 2.293 1.145 ( -4.380 0.000 3.307) 5.489 1.196 ( -0.752 0.000 2.029) 2.163 1.277 ( -0.757 0.000 3.671) 3.748 1.280 ( 3.040 0.000 0.158) 3.044 1.293 ( 0.513 0.000 -2.887) 2.932 1.300 ( -0.465 0.000 0.766) 0.896 1.339 ( 3.691 0.000 0.010) 3.691 1.365 ( -1.024 0.000 1.521) 1.833 1.498 ( 0.050 0.000 2.685) 2.685 1.529 ( -4.756 0.000 -2.421) 5.337 1.539 ( -0.611 0.000 -4.408) 4.450 1.614 ( 1.226 0.000 4.444) 4.610 1.634 ( 0.980 0.000 -1.174) 1.529 1.666 ( 0.418 0.000 3.585) 3.610 1.729 ( -1.696 0.000 1.304) 2.140 1.767 ( 2.206 0.000 -0.674) 2.307 1.795 ( -1.661 0.000 4.247) 4.560 1.868 ( -2.526 0.000 2.117) 3.296 1.898 ( 1.407 0.000 0.859) 1.648 1.961 ( 1.094 0.000 0.304) 1.135 2.001 ( 0.492 0.000 -3.428) 3.464 2.122 ( 0.916 0.000 -0.893) 1.279 2.176 ( 1.171 0.000 0.434) 1.248 2.237 ( -1.581 0.000 -1.157) 1.959 2.265 ( -6.840 0.000 -1.186) 6.942 2.328 ( 3.001 0.000 -6.648) 7.295 2.478 ( 6.449 0.000 3.691) 7.431 2.569 ( -1.504 0.000 10.576) 10.682 2.641 ( 0.145 0.000 1.752) 1.758 2.773 ( -4.393 0.000 10.854) 11.709 2.870 ( 5.787 0.000 -0.764) 5.837 2.888 ( -1.126 0.000 10.134) 10.197 2.899 ( 0.780 0.000 2.804) 2.910 2.995 ( 4.972 0.000 9.185) 10.444 3.013 ( 2.289 0.000 6.762) 7.139 3.063 ( -3.735 0.000 2.064) 4.267 3.124 ( -3.060 0.000 12.503) 12.872 3.248 ( 0.057 0.000 -2.037) 2.038 3.254 ( 0.647 0.000 5.074) 5.115 3.365 ( -4.850 0.000 -0.461) 4.872 3.428 ( -1.066 0.000 0.206) 1.086 3.436 ( -0.528 0.000 -3.730) 3.767 3.455 ( 1.457 0.000 -1.813) 2.325 3.610 ( -1.708 0.000 -4.482) 4.796 3.699 ( -7.223 0.000 3.496) 8.025 3.711 ( 5.660 0.000 -5.038) 7.577 3.773 ( -1.792 0.000 6.173) 6.428 3.885 ( 3.537 0.000 -7.203) 8.024 3.985 ( 0.709 0.000 -2.377) 2.480 4.104 ( -2.511 0.000 -4.326) 5.002 4.165 ( 2.162 0.000 1.977) 2.930 4.223 ( 3.459 0.000 -3.622) 5.008 4.227 ( -0.529 0.000 0.012) 0.529 4.309 ( 5.744 0.000 -2.440) 6.241 4.485 ( -0.298 0.000 -1.337) 1.369 4.526 ( 3.450 0.000 -6.476) 7.338 4.800 ( -2.326 0.000 1.373) 2.701 4.809 ( -2.233 0.000 -1.791) 2.862 5.078 ( -3.640 0.000 2.816) 4.602 5.159 ( -3.169 0.000 0.764) 3.260 5.277 ( 1.827 0.000 3.991) 4.389 5.312 ( -0.809 0.000 1.624) 1.815 5.520 ( 2.598 0.000 4.623) 5.303 5.542 ( 0.063 0.000 5.280) 5.280 5.882 ( -0.784 0.000 4.066) 4.141 6.013 ( 0.855 0.000 -1.788) 1.982 6.380 ( 1.572 0.000 -0.772) 1.751 6.381 ( -0.606 0.000 0.771) 0.980 6.638 ( -0.273 0.000 4.138) 4.147 6.786 ( 2.681 0.000 -2.194) 3.465 7.214 ( 0.027 0.000 3.660) 3.660 7.281 ( 1.629 0.000 -3.651) 3.998 7.439 ( 2.169 0.000 -12.213) 12.405 7.465 ( 0.293 0.000 0.381) 0.481 7.596 ( 1.752 0.000 -11.072) 11.209 7.805 ( -2.393 0.000 -9.036) 9.347 7.843 ( 2.319 0.000 -6.183) 6.604 7.849 ( 0.391 0.000 -5.617) 5.631 8.161 ( 0.616 0.000 -3.378) 3.433 8.171 ( -0.633 0.000 -1.078) 1.250 8.261 ( -2.167 0.000 5.244) 5.674 8.358 ( 1.505 0.000 -2.461) 2.885 8.758 ( 0.503 0.000 -2.475) 2.525 8.874 ( 0.157 0.000 0.383) 0.414 8.878 ( -3.043 0.000 -5.482) 6.270 9.042 ( 2.086 0.000 -6.285) 6.622 9.631 ( -2.650 0.000 3.624) 4.489 9.654 ( -0.069 0.000 1.328) 1.329 10.033 ( -1.880 0.000 5.565) 5.874 10.198 ( -0.692 0.000 0.197) 0.720 10.226 ( 0.894 0.000 -2.491) 2.646 10.237 ( 2.845 0.000 -4.034) 4.936 10.408 ( 0.781 0.000 1.856) 2.013 10.431 ( 0.598 0.000 1.067) 1.223 11.144 ( -2.920 0.000 17.151) 17.398 11.574 ( -0.099 0.000 -1.941) 1.943 11.643 ( -1.052 0.000 -5.956) 6.048 11.690 ( 2.087 0.000 -5.124) 5.533 11.799 ( 3.265 0.000 -9.785) 10.315 11.813 ( 0.364 0.000 -6.689) 6.699 11.915 ( 0.530 0.000 -2.750) 2.801 12.032 ( 0.895 0.000 -7.960) 8.010 12.392 ( 3.277 0.000 13.042) 13.448 12.673 ( 1.098 0.000 -4.720) 4.846 12.798 ( -5.834 0.000 -5.518) 8.031 12.900 ( -2.465 0.000 -2.675) 3.638 13.277 ( -1.838 0.000 5.445) 5.747 13.398 ( 3.851 0.000 -6.126) 7.236 13.648 ( 1.275 0.000 1.143) 1.712 13.789 ( 0.374 0.000 -6.230) 6.242 14.100 ( 0.369 0.000 5.804) 5.816 14.134 ( 5.153 0.000 8.031) 9.542 14.282 ( -2.713 0.000 -0.102) 2.715 14.333 ( 0.797 0.000 1.688) 1.866 14.543 ( -1.959 0.000 -0.412) 2.002 14.563 ( -5.096 0.000 0.897) 5.175 14.834 ( 1.484 0.000 4.626) 4.858 14.925 ( 0.921 0.000 1.537) 1.792 20.470 ( 2.430 0.000 2.344) 3.376 20.567 ( 2.427 0.000 0.625) 2.506 20.859 ( -3.547 0.000 -0.785) 3.633 20.905 ( -1.201 0.000 -8.242) 8.329 20.949 ( 3.408 0.000 -2.184) 4.048 20.950 ( 2.017 0.000 -3.927) 4.415 21.043 ( -2.499 0.000 2.299) 3.396 21.152 ( 0.923 0.000 1.774) 2.000 21.173 ( -0.954 0.000 -2.956) 3.107 21.225 ( 1.514 0.000 -1.020) 1.826 21.672 ( 0.574 0.000 -1.858) 1.945 21.759 ( 1.713 0.000 -1.536) 2.301 21.996 ( 3.390 0.000 4.922) 5.976 22.078 ( -2.323 0.000 5.455) 5.929 22.189 ( 0.908 0.000 -3.858) 3.964 22.313 ( -2.293 0.000 -5.974) 6.399 22.876 ( -3.069 0.000 -0.294) 3.083 22.946 ( 0.513 0.000 -5.082) 5.108 23.060 ( -0.690 0.000 2.534) 2.627 23.081 ( 0.542 0.000 0.993) 1.132 23.312 ( -1.480 0.000 5.441) 5.639 23.314 ( -0.591 0.000 7.120) 7.144 23.425 ( -2.784 0.000 7.422) 7.927 23.506 ( -0.732 0.000 2.625) 2.725 23.961 ( -1.359 0.000 3.435) 3.694 23.972 ( 0.619 0.000 -0.693) 0.929 24.010 ( -0.136 0.000 0.256) 0.290 24.149 ( -0.922 0.000 -4.187) 4.287 24.335 ( -1.349 0.000 5.398) 5.564 24.404 ( 3.087 0.000 -1.768) 3.557 24.463 ( 1.633 0.000 3.930) 4.256 24.700 ( -1.533 0.000 -5.055) 5.283 ======================= Grid point 78 (43/63) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -8.513 0.000 6.868) 10.938 0.732 ( -4.602 0.000 10.340) 11.318 0.952 ( 1.628 0.000 -0.738) 1.787 0.977 ( -3.360 0.000 0.696) 3.431 1.073 ( -3.383 0.000 0.989) 3.524 1.084 ( 5.201 0.000 -0.920) 5.282 1.118 ( 1.889 0.000 3.247) 3.757 1.178 ( -0.842 0.000 0.183) 0.862 1.283 ( 0.837 0.000 3.283) 3.388 1.284 ( 0.194 0.000 -0.830) 0.852 1.330 ( 1.772 0.000 -0.213) 1.785 1.335 ( -0.586 0.000 0.917) 1.088 1.394 ( -0.212 0.000 -1.967) 1.979 1.414 ( 5.112 0.000 4.182) 6.605 1.452 ( 1.534 0.000 -4.401) 4.661 1.505 ( 0.593 0.000 -0.930) 1.103 1.554 ( 3.400 0.000 0.424) 3.426 1.622 ( -1.573 0.000 1.125) 1.934 1.664 ( -0.402 0.000 1.631) 1.680 1.688 ( 1.277 0.000 2.394) 2.713 1.701 ( 1.471 0.000 0.726) 1.641 1.777 ( -2.146 0.000 6.921) 7.246 1.813 ( -4.038 0.000 -0.120) 4.040 1.820 ( 1.843 0.000 -0.282) 1.864 1.930 ( 1.635 0.000 0.266) 1.656 1.967 ( -2.343 0.000 -0.596) 2.418 1.978 ( 0.120 0.000 -0.562) 0.575 2.083 ( -4.886 0.000 -1.643) 5.155 2.151 ( -3.635 0.000 0.210) 3.641 2.160 ( -1.799 0.000 1.765) 2.521 2.254 ( 1.254 0.000 2.226) 2.555 2.344 ( 1.186 0.000 -7.980) 8.068 2.549 ( -3.914 0.000 9.741) 10.498 2.583 ( 2.783 0.000 2.634) 3.831 2.641 ( -0.286 0.000 -0.403) 0.494 2.722 ( -3.100 0.000 6.851) 7.520 2.832 ( -5.151 0.000 -0.751) 5.205 2.930 ( 0.954 0.000 11.600) 11.640 2.971 ( 1.857 0.000 4.530) 4.896 3.029 ( -0.867 0.000 5.056) 5.129 3.041 ( -1.705 0.000 8.294) 8.467 3.092 ( -0.089 0.000 9.418) 9.418 3.140 ( -1.916 0.000 19.957) 20.049 3.231 ( -3.407 0.000 -3.536) 4.910 3.262 ( 2.661 0.000 -5.428) 6.045 3.347 ( 3.451 0.000 2.776) 4.429 3.383 ( -3.517 0.000 -1.676) 3.896 3.437 ( -0.681 0.000 0.641) 0.935 3.443 ( -2.368 0.000 -0.349) 2.394 3.486 ( -1.665 0.000 -7.126) 7.318 3.556 ( -6.001 0.000 0.354) 6.011 3.758 ( -0.268 0.000 2.619) 2.632 3.861 ( 4.966 0.000 -3.019) 5.811 3.914 ( 0.664 0.000 -4.174) 4.226 3.983 ( -0.562 0.000 0.049) 0.565 4.070 ( 1.765 0.000 -6.630) 6.861 4.184 ( -0.296 0.000 0.378) 0.480 4.243 ( 0.341 0.000 -3.913) 3.928 4.248 ( 1.800 0.000 -0.190) 1.810 4.390 ( 2.228 0.000 -3.941) 4.527 4.473 ( 0.095 0.000 -3.389) 3.390 4.548 ( 0.242 0.000 -4.876) 4.882 4.777 ( -0.443 0.000 3.345) 3.374 4.805 ( 2.366 0.000 -1.658) 2.889 5.044 ( -0.275 0.000 2.666) 2.681 5.129 ( 0.212 0.000 1.980) 1.991 5.298 ( -0.642 0.000 0.335) 0.724 5.323 ( 0.779 0.000 4.486) 4.553 5.548 ( -1.155 0.000 4.643) 4.785 5.562 ( 0.013 0.000 2.705) 2.705 5.873 ( -1.567 0.000 5.370) 5.594 6.007 ( -0.709 0.000 -2.319) 2.425 6.363 ( -1.190 0.000 0.501) 1.291 6.390 ( -0.478 0.000 -0.182) 0.511 6.649 ( -0.053 0.000 3.636) 3.637 6.804 ( -0.334 0.000 -2.987) 3.005 7.209 ( -1.357 0.000 1.898) 2.333 7.304 ( 1.716 0.000 -3.282) 3.703 7.440 ( -1.497 0.000 -4.323) 4.575 7.474 ( 4.688 0.000 -8.556) 9.756 7.645 ( 4.934 0.000 -4.990) 7.017 7.713 ( -2.512 0.000 -11.719) 11.985 7.829 ( -0.125 0.000 -6.851) 6.853 7.874 ( 2.410 0.000 -5.656) 6.148 8.149 ( -0.937 0.000 -1.844) 2.069 8.155 ( -0.413 0.000 -1.149) 1.221 8.240 ( -0.999 0.000 3.362) 3.507 8.398 ( 2.687 0.000 -1.426) 3.042 8.773 ( 0.903 0.000 1.283) 1.568 8.812 ( -0.974 0.000 -5.698) 5.781 8.879 ( 0.621 0.000 -1.981) 2.076 9.063 ( 2.058 0.000 -6.408) 6.730 9.616 ( 0.206 0.000 2.897) 2.904 9.687 ( 2.690 0.000 1.211) 2.950 10.020 ( -1.244 0.000 5.227) 5.373 10.182 ( -0.972 0.000 0.022) 0.972 10.227 ( -0.027 0.000 -2.312) 2.312 10.267 ( 1.477 0.000 -3.883) 4.154 10.401 ( -2.005 0.000 2.053) 2.870 10.431 ( -1.101 0.000 0.864) 1.399 11.144 ( -2.872 0.000 16.980) 17.221 11.598 ( 2.920 0.000 -1.084) 3.115 11.611 ( -0.211 0.000 -4.305) 4.310 11.711 ( 2.287 0.000 -8.537) 8.838 11.796 ( 0.172 0.000 -6.978) 6.980 11.845 ( 4.349 0.000 -9.230) 10.204 11.896 ( -1.425 0.000 -1.263) 1.904 12.002 ( -1.249 0.000 -7.376) 7.481 12.507 ( 1.808 0.000 8.118) 8.316 12.689 ( -1.322 0.000 -0.030) 1.322 12.696 ( 2.199 0.000 -1.482) 2.651 12.840 ( -1.600 0.000 -6.384) 6.582 13.248 ( -2.313 0.000 2.948) 3.747 13.450 ( 2.546 0.000 -4.360) 5.049 13.656 ( -0.882 0.000 1.087) 1.400 13.766 ( -0.291 0.000 -5.627) 5.634 14.158 ( 2.784 0.000 5.693) 6.337 14.192 ( -2.896 0.000 1.193) 3.132 14.295 ( 4.432 0.000 3.980) 5.956 14.343 ( -0.237 0.000 -0.585) 0.631 14.467 ( -4.075 0.000 1.922) 4.505 14.535 ( 1.119 0.000 1.897) 2.203 14.858 ( -0.648 0.000 4.629) 4.674 14.920 ( -1.805 0.000 0.729) 1.947 20.538 ( 2.746 0.000 2.173) 3.502 20.607 ( 0.791 0.000 -1.651) 1.831 20.777 ( -3.821 0.000 -0.291) 3.832 20.846 ( 0.235 0.000 -5.779) 5.783 20.898 ( -3.718 0.000 -2.870) 4.697 20.990 ( 0.649 0.000 -1.701) 1.821 21.103 ( 3.960 0.000 1.429) 4.210 21.143 ( -0.031 0.000 -2.633) 2.633 21.168 ( -0.080 0.000 2.344) 2.345 21.258 ( 2.060 0.000 -3.989) 4.490 21.701 ( 2.626 0.000 -1.238) 2.903 21.742 ( -2.141 0.000 -4.546) 5.025 21.993 ( -4.701 0.000 7.267) 8.655 22.112 ( 2.734 0.000 2.626) 3.791 22.171 ( -1.853 0.000 -2.820) 3.375 22.267 ( 0.492 0.000 -3.651) 3.684 22.837 ( -0.465 0.000 1.135) 1.226 22.933 ( -0.117 0.000 -3.821) 3.822 23.060 ( 0.130 0.000 1.560) 1.565 23.104 ( 1.108 0.000 0.396) 1.176 23.315 ( -0.109 0.000 6.345) 6.345 23.321 ( -0.987 0.000 5.907) 5.989 23.390 ( -3.000 0.000 7.294) 7.887 23.531 ( 1.843 0.000 3.352) 3.825 23.938 ( -1.475 0.000 1.828) 2.349 23.969 ( -0.853 0.000 1.296) 1.551 24.018 ( 0.274 0.000 1.802) 1.823 24.150 ( 2.444 0.000 -5.811) 6.304 24.281 ( -4.063 0.000 3.811) 5.571 24.486 ( 5.508 0.000 -0.647) 5.546 24.539 ( 2.767 0.000 4.657) 5.417 24.639 ( -2.529 0.000 -6.984) 7.428 ======================= Grid point 79 (44/63) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 3.878 0.000 15.912) 16.378 0.720 ( -1.092 0.000 14.829) 14.869 0.960 ( 2.011 0.000 1.939) 2.793 0.989 ( 2.198 0.000 -0.159) 2.204 1.021 ( -1.830 0.000 0.433) 1.881 1.152 ( -0.637 0.000 1.799) 1.908 1.169 ( 1.841 0.000 3.440) 3.902 1.194 ( 3.366 0.000 -2.103) 3.969 1.275 ( -2.623 0.000 1.336) 2.944 1.285 ( 0.629 0.000 0.077) 0.634 1.320 ( -1.409 0.000 1.621) 2.148 1.341 ( 0.311 0.000 1.073) 1.117 1.425 ( 4.114 0.000 -1.802) 4.491 1.473 ( -0.520 0.000 -3.612) 3.649 1.502 ( 0.046 0.000 -1.253) 1.254 1.530 ( 3.586 0.000 4.509) 5.762 1.610 ( -1.290 0.000 1.485) 1.967 1.620 ( 1.457 0.000 1.504) 2.094 1.681 ( 1.350 0.000 1.353) 1.911 1.689 ( -1.945 0.000 0.734) 2.079 1.732 ( 3.587 0.000 -4.977) 6.135 1.759 ( -2.310 0.000 8.479) 8.788 1.779 ( 1.861 0.000 -0.399) 1.904 1.827 ( -0.090 0.000 -3.960) 3.961 1.920 ( -3.225 0.000 -3.229) 4.564 1.935 ( -2.170 0.000 2.230) 3.111 1.978 ( -1.246 0.000 0.378) 1.302 1.986 ( 2.124 0.000 -3.378) 3.990 2.129 ( 0.387 0.000 5.396) 5.410 2.138 ( -1.386 0.000 3.224) 3.509 2.266 ( -0.340 0.000 3.915) 3.930 2.323 ( -0.865 0.000 -7.077) 7.130 2.475 ( -5.033 0.000 2.330) 5.546 2.597 ( -2.248 0.000 1.190) 2.543 2.643 ( 0.687 0.000 0.517) 0.860 2.712 ( 0.395 0.000 5.004) 5.020 2.761 ( -3.312 0.000 8.414) 9.042 2.934 ( -5.687 0.000 9.782) 11.315 2.965 ( -3.065 0.000 12.326) 12.702 2.999 ( -5.848 0.000 5.006) 7.698 3.037 ( -2.031 0.000 -2.589) 3.291 3.039 ( -2.913 0.000 2.971) 4.160 3.140 ( -3.643 0.000 14.497) 14.948 3.215 ( 0.694 0.000 1.162) 1.354 3.267 ( 0.389 0.000 -0.467) 0.607 3.317 ( -0.711 0.000 0.509) 0.874 3.331 ( -5.012 0.000 4.481) 6.723 3.455 ( 4.143 0.000 -3.749) 5.588 3.461 ( 3.892 0.000 4.560) 5.995 3.489 ( -0.919 0.000 -2.946) 3.086 3.555 ( 6.306 0.000 -6.952) 9.386 3.787 ( 2.088 0.000 1.895) 2.820 3.847 ( -1.701 0.000 1.869) 2.528 3.946 ( 1.607 0.000 -0.367) 1.648 3.964 ( -1.563 0.000 1.685) 2.299 4.072 ( -0.896 0.000 -9.016) 9.060 4.170 ( -1.216 0.000 0.125) 1.223 4.230 ( 0.118 0.000 -4.066) 4.067 4.275 ( 1.519 0.000 -3.679) 3.980 4.366 ( -2.744 0.000 -4.621) 5.374 4.472 ( 1.065 0.000 -4.244) 4.376 4.508 ( -2.275 0.000 -3.409) 4.099 4.800 ( 1.392 0.000 3.293) 3.575 4.875 ( 4.741 0.000 -2.441) 5.333 5.084 ( 2.604 0.000 3.900) 4.689 5.180 ( 3.549 0.000 2.947) 4.614 5.291 ( -0.129 0.000 -0.935) 0.944 5.320 ( -2.726 0.000 4.445) 5.214 5.526 ( -2.520 0.000 3.934) 4.672 5.534 ( -3.503 0.000 3.080) 4.664 5.864 ( -1.036 0.000 5.335) 5.434 5.977 ( -1.217 0.000 -2.209) 2.522 6.350 ( 0.052 0.000 -0.254) 0.259 6.366 ( -1.728 0.000 0.598) 1.828 6.654 ( -0.513 0.000 2.542) 2.593 6.765 ( -2.024 0.000 -2.551) 3.256 7.185 ( -1.151 0.000 0.637) 1.316 7.319 ( 0.352 0.000 -3.175) 3.195 7.399 ( -0.239 0.000 -6.027) 6.031 7.546 ( 3.364 0.000 -4.573) 5.677 7.644 ( 1.247 0.000 -15.713) 15.763 7.723 ( 3.331 0.000 -1.842) 3.806 7.801 ( 0.114 0.000 -8.182) 8.182 7.895 ( 1.341 0.000 -4.194) 4.403 8.130 ( -0.132 0.000 -0.442) 0.461 8.152 ( 0.644 0.000 -1.504) 1.636 8.246 ( 0.381 0.000 2.415) 2.444 8.426 ( 0.014 0.000 -0.980) 0.980 8.800 ( 0.941 0.000 3.937) 4.048 8.818 ( 3.402 0.000 -5.490) 6.459 8.875 ( -0.467 0.000 -3.194) 3.228 9.076 ( 1.336 0.000 -6.704) 6.836 9.657 ( 2.580 0.000 2.564) 3.637 9.748 ( 2.233 0.000 1.035) 2.461 10.018 ( -0.398 0.000 4.240) 4.259 10.158 ( -1.305 0.000 -0.540) 1.412 10.211 ( -0.727 0.000 -1.561) 1.722 10.267 ( -0.689 0.000 -1.524) 1.672 10.359 ( -2.392 0.000 1.998) 3.116 10.406 ( -0.741 0.000 -1.165) 1.380 11.144 ( -2.669 0.000 15.571) 15.798 11.607 ( 1.114 0.000 -4.017) 4.169 11.670 ( 3.792 0.000 0.274) 3.802 11.719 ( 1.724 0.000 -10.900) 11.035 11.770 ( -0.393 0.000 -6.798) 6.809 11.864 ( -1.038 0.000 -0.943) 1.403 11.902 ( 3.701 0.000 -8.373) 9.155 11.942 ( -1.746 0.000 -6.504) 6.735 12.451 ( -5.647 0.000 1.556) 5.857 12.729 ( 0.258 0.000 -0.399) 0.476 12.808 ( 8.239 0.000 7.569) 11.188 12.819 ( 2.711 0.000 -6.690) 7.218 13.204 ( -2.675 0.000 0.811) 2.795 13.455 ( -0.922 0.000 -3.070) 3.205 13.628 ( -1.971 0.000 1.680) 2.590 13.754 ( 1.246 0.000 -6.347) 6.468 14.140 ( -2.838 0.000 3.063) 4.175 14.210 ( -0.224 0.000 5.549) 5.554 14.299 ( -2.295 0.000 -4.892) 5.404 14.332 ( -1.218 0.000 0.065) 1.220 14.471 ( 3.026 0.000 6.311) 6.999 14.621 ( 5.780 0.000 4.180) 7.133 14.841 ( -2.365 0.000 3.935) 4.591 14.860 ( -4.128 0.000 -0.050) 4.128 20.556 ( -1.751 0.000 -0.188) 1.761 20.582 ( -1.432 0.000 -4.354) 4.583 20.707 ( -2.787 0.000 1.663) 3.246 20.876 ( 2.026 0.000 -2.294) 3.061 20.883 ( 3.091 0.000 -1.626) 3.493 20.960 ( -0.859 0.000 -3.398) 3.505 21.143 ( -0.634 0.000 0.960) 1.151 21.160 ( 1.602 0.000 -1.206) 2.005 21.172 ( 0.147 0.000 1.435) 1.442 21.271 ( 0.852 0.000 -5.550) 5.615 21.673 ( -2.629 0.000 -2.725) 3.786 21.750 ( 2.208 0.000 -2.285) 3.177 21.913 ( -5.106 0.000 6.610) 8.353 22.124 ( -0.503 0.000 -5.823) 5.845 22.144 ( -0.505 0.000 3.590) 3.625 22.303 ( 3.214 0.000 -1.695) 3.633 22.870 ( 2.917 0.000 1.631) 3.342 22.920 ( -0.313 0.000 -0.985) 1.033 23.074 ( 0.568 0.000 0.788) 0.972 23.118 ( 0.070 0.000 0.526) 0.530 23.318 ( -1.186 0.000 5.405) 5.534 23.336 ( -0.859 0.000 5.328) 5.397 23.376 ( -0.029 0.000 8.616) 8.616 23.576 ( 1.172 0.000 1.770) 2.122 23.927 ( -0.012 0.000 1.432) 1.432 23.955 ( -1.110 0.000 2.511) 2.745 24.033 ( 0.674 0.000 2.860) 2.938 24.192 ( 3.597 0.000 -6.882) 7.765 24.214 ( -3.925 0.000 3.873) 5.514 24.540 ( -3.515 0.000 -6.148) 7.082 24.581 ( -0.203 0.000 4.765) 4.769 24.617 ( 6.080 0.000 -3.784) 7.161 ======================= Grid point 80 (45/63) ======================= q-point: ( 0.00 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 4.424 -0.065 12.425) 13.189 0.801 ( 2.009 1.802 9.572) 9.945 0.978 ( 0.737 -4.082 5.035) 6.524 1.002 ( 0.331 -2.453 0.205) 2.484 1.082 ( 1.433 -2.851 1.409) 3.489 1.111 ( -1.453 0.768 -0.037) 1.644 1.142 ( -0.762 -1.977 -3.443) 4.043 1.184 ( 0.451 -2.403 4.574) 5.186 1.223 ( -1.103 -2.600 2.697) 3.905 1.247 ( -2.964 0.538 1.411) 3.327 1.302 ( 0.743 0.654 1.956) 2.192 1.362 ( -1.030 0.291 -1.652) 1.969 1.392 ( -0.952 -1.508 -2.397) 2.988 1.430 ( -3.552 -2.112 1.941) 4.565 1.459 ( -0.870 -2.600 -0.436) 2.776 1.505 ( -1.177 -4.062 -3.708) 5.625 1.551 ( 1.470 0.007 2.377) 2.795 1.620 ( 0.343 -0.733 -0.060) 0.811 1.663 ( -0.886 -0.552 2.267) 2.496 1.717 ( 0.776 1.482 2.237) 2.793 1.742 ( -1.459 1.743 5.850) 6.276 1.801 ( 3.933 -1.224 -0.023) 4.119 1.820 ( 0.415 -0.829 -0.150) 0.940 1.858 ( -3.300 1.257 -0.640) 3.589 1.909 ( 2.483 4.263 -2.252) 5.424 1.958 ( -0.806 0.789 2.963) 3.171 2.034 ( 3.423 2.770 -1.354) 4.607 2.037 ( 0.226 2.435 -1.536) 2.888 2.175 ( -0.053 2.403 1.983) 3.116 2.219 ( 4.747 5.660 1.776) 7.597 2.299 ( -1.322 1.502 -3.217) 3.789 2.358 ( -1.353 0.805 -1.993) 2.540 2.404 ( 1.476 1.719 4.391) 4.941 2.566 ( -3.176 2.924 -3.346) 5.462 2.643 ( -0.656 -0.487 4.790) 4.859 2.693 ( -3.080 -0.925 9.363) 9.900 2.766 ( -6.041 -2.525 8.518) 10.743 2.864 ( 1.486 1.364 3.331) 3.894 2.874 ( -2.192 0.231 -2.005) 2.979 2.902 ( -2.674 -2.061 6.909) 7.690 2.985 ( 2.917 0.122 8.550) 9.034 3.078 ( 1.583 -2.799 -1.677) 3.626 3.104 ( -1.205 -2.226 7.906) 8.302 3.216 ( 1.531 2.294 4.334) 5.137 3.241 ( -2.254 -2.090 7.327) 7.946 3.293 ( 0.386 -2.294 -1.325) 2.677 3.350 ( -0.703 4.276 1.037) 4.456 3.446 ( 0.084 -1.798 4.201) 4.570 3.499 ( 2.578 1.897 0.408) 3.227 3.590 ( 2.768 0.608 -2.998) 4.125 3.672 ( 0.553 2.735 1.564) 3.198 3.793 ( -2.013 -2.401 0.480) 3.169 3.877 ( 1.292 -1.409 -2.186) 2.904 3.896 ( 0.129 -2.732 -0.963) 2.900 3.993 ( -1.868 1.244 -3.431) 4.100 4.019 ( -0.461 -0.794 -0.180) 0.935 4.093 ( 0.713 0.442 -0.925) 1.249 4.170 ( -0.456 -3.386 -4.209) 5.421 4.216 ( -2.716 -2.328 -5.054) 6.192 4.305 ( 0.931 -1.776 -6.263) 6.576 4.485 ( -0.904 4.787 -0.454) 4.893 4.565 ( 1.214 4.855 -3.471) 6.091 4.787 ( 1.116 -4.023 0.548) 4.210 4.823 ( 0.233 -8.044 -1.443) 8.175 5.142 ( 0.012 -1.516 3.074) 3.427 5.175 ( -0.901 -3.068 2.823) 4.265 5.282 ( 0.101 0.708 3.776) 3.843 5.303 ( -1.321 -0.268 1.981) 2.396 5.521 ( 1.512 5.531 5.419) 7.890 5.580 ( -2.713 4.532 2.677) 5.921 5.880 ( -0.719 1.202 3.093) 3.395 5.954 ( -0.047 -1.145 -1.016) 1.531 6.403 ( 0.309 5.141 1.637) 5.404 6.444 ( -0.355 6.904 -1.023) 6.988 6.614 ( -1.120 -2.887 2.744) 4.138 6.708 ( 0.007 -2.521 -2.234) 3.368 7.176 ( 0.131 0.606 1.596) 1.713 7.284 ( -1.237 -1.759 -3.984) 4.527 7.413 ( 1.442 1.915 -3.486) 4.231 7.512 ( -0.889 -0.850 -8.072) 8.166 7.682 ( 4.782 -1.353 -11.750) 12.758 7.695 ( 0.261 -1.849 -10.188) 10.357 7.833 ( 2.172 1.613 -3.362) 4.316 7.898 ( 0.636 -0.559 -4.252) 4.335 8.140 ( 1.070 0.076 -1.197) 1.608 8.161 ( 0.966 -0.565 -0.809) 1.381 8.278 ( 0.118 1.391 1.629) 2.145 8.373 ( -1.702 -2.105 -1.536) 3.112 8.803 ( -0.727 -1.074 -1.250) 1.802 8.817 ( 1.357 -0.836 -1.156) 1.969 8.999 ( 1.096 8.194 0.099) 8.268 9.160 ( 0.547 5.607 -5.910) 8.165 9.625 ( -0.324 -5.462 3.229) 6.354 9.703 ( -1.243 -4.408 -0.320) 4.591 10.060 ( 0.000 1.477 2.023) 2.505 10.121 ( 2.449 -1.159 -0.942) 2.868 10.195 ( 0.208 -0.256 -0.893) 0.952 10.232 ( -0.872 -0.922 -0.829) 1.516 10.326 ( -1.115 -0.284 2.394) 2.656 10.387 ( 0.480 -1.438 -0.975) 1.802 11.204 ( -1.762 5.716 13.549) 14.810 11.556 ( 1.357 -6.942 -1.050) 7.151 11.673 ( 0.894 1.410 -2.812) 3.271 11.720 ( -0.641 -0.829 -2.532) 2.740 11.781 ( 1.282 0.481 -3.950) 4.180 11.836 ( -1.047 -1.007 -6.814) 6.967 11.910 ( 0.251 2.348 -6.856) 7.252 11.959 ( 2.102 -0.466 -8.445) 8.715 12.463 ( -2.930 8.961 1.685) 9.578 12.715 ( -0.091 0.366 -4.837) 4.852 12.870 ( 4.235 -0.988 -0.011) 4.349 12.960 ( 1.092 -1.078 1.734) 2.315 13.192 ( 0.064 1.613 2.344) 2.846 13.375 ( -1.716 -3.008 -2.844) 4.481 13.460 ( 0.393 -8.554 -0.596) 8.584 13.581 ( 0.882 -12.295 -5.451) 13.478 14.144 ( -0.939 2.317 5.210) 5.779 14.176 ( -2.648 0.027 4.479) 5.203 14.358 ( -0.192 5.744 1.674) 5.986 14.418 ( -2.237 7.245 -1.526) 7.735 14.583 ( 5.891 0.677 5.841) 8.323 14.706 ( -5.941 -1.557 -0.079) 6.143 14.762 ( 4.834 -0.090 3.737) 6.111 14.824 ( -3.034 0.020 0.798) 3.137 20.504 ( -2.639 1.151 -0.303) 2.895 20.542 ( -0.974 -0.288 -2.021) 2.261 20.724 ( 1.425 1.225 0.460) 1.935 20.816 ( -0.619 -2.773 -3.638) 4.616 20.956 ( 2.723 -0.028 -2.343) 3.592 20.979 ( 2.659 -1.074 -2.733) 3.961 21.123 ( -2.104 0.498 -0.939) 2.357 21.141 ( -0.551 -0.603 -1.552) 1.754 21.229 ( 0.710 3.195 0.243) 3.281 21.289 ( -0.574 1.406 -2.945) 3.314 21.643 ( 1.728 0.558 0.902) 2.027 21.743 ( -1.105 -0.640 -3.942) 4.144 21.865 ( -1.360 -0.382 5.512) 5.690 21.980 ( -1.006 -6.238 2.192) 6.688 22.258 ( 1.718 4.565 -2.829) 5.639 22.344 ( 2.349 -0.862 -3.236) 4.091 22.940 ( 0.855 1.817 0.310) 2.032 22.955 ( 1.180 1.703 -0.674) 2.179 23.063 ( -0.585 -1.025 1.462) 1.878 23.086 ( -1.240 -1.958 1.032) 2.537 23.328 ( -1.319 1.532 5.725) 6.072 23.350 ( -0.902 1.532 5.048) 5.352 23.417 ( 0.582 -0.218 7.148) 7.175 23.531 ( -0.764 -3.793 2.115) 4.410 23.955 ( 1.627 1.491 2.325) 3.206 23.980 ( -1.990 2.485 1.443) 3.496 24.043 ( 1.020 -1.634 1.959) 2.747 24.111 ( -0.912 -3.366 2.071) 4.056 24.313 ( 1.837 5.172 -4.020) 6.803 24.434 ( -3.390 -0.037 -6.004) 6.895 24.573 ( -2.755 0.853 3.168) 4.284 24.672 ( 2.844 -3.116 -2.451) 4.879 ======================= Grid point 81 (46/63) ======================= q-point: ( 0.20 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.163 -3.280 7.105) 7.827 0.867 ( -1.571 -3.578 3.869) 5.499 0.981 ( 1.202 -2.670 2.038) 3.568 1.009 ( 1.549 -0.654 2.729) 3.206 1.051 ( -4.098 3.401 0.740) 5.377 1.095 ( -2.642 -2.233 2.684) 4.378 1.152 ( -0.787 -2.230 1.122) 2.617 1.180 ( 1.809 0.360 -1.391) 2.310 1.205 ( 0.365 -0.990 2.616) 2.821 1.248 ( -0.742 -0.099 3.835) 3.908 1.301 ( -0.990 -1.041 0.861) 1.675 1.325 ( -2.292 -0.668 -0.714) 2.492 1.364 ( -4.533 -2.420 -0.446) 5.158 1.382 ( 0.106 -0.496 -0.028) 0.508 1.415 ( -1.027 -4.495 0.450) 4.632 1.485 ( 1.170 -2.219 -0.141) 2.513 1.583 ( -0.421 1.277 1.923) 2.347 1.620 ( 0.522 1.837 -0.058) 1.911 1.659 ( -0.054 0.071 1.190) 1.193 1.696 ( -2.573 0.168 -0.573) 2.641 1.756 ( -1.827 1.109 -0.067) 2.138 1.786 ( -0.572 0.068 0.849) 1.026 1.822 ( -0.265 0.913 2.064) 2.273 1.876 ( -3.014 0.302 5.954) 6.681 1.884 ( 2.210 0.797 -1.801) 2.960 1.971 ( 0.717 1.934 -0.810) 2.216 2.038 ( 0.208 3.104 -1.282) 3.365 2.115 ( 4.457 1.929 -2.209) 5.335 2.180 ( 0.518 2.909 -0.079) 2.955 2.268 ( -1.752 -0.236 -2.187) 2.813 2.296 ( -0.371 1.458 -1.363) 2.030 2.352 ( 5.285 2.624 1.624) 6.120 2.413 ( -3.721 0.232 2.543) 4.513 2.533 ( 1.366 2.143 -0.221) 2.551 2.631 ( -1.889 -0.990 11.253) 11.453 2.713 ( -1.194 -5.783 5.470) 8.049 2.746 ( 3.631 -0.016 3.556) 5.082 2.846 ( -1.569 -0.228 2.311) 2.803 2.859 ( 0.271 -0.165 5.222) 5.232 2.930 ( 1.502 0.130 4.701) 4.937 3.057 ( -1.510 0.347 9.707) 9.830 3.102 ( -0.093 -1.643 4.197) 4.508 3.123 ( 1.511 2.506 4.331) 5.227 3.233 ( 0.240 -0.645 4.807) 4.856 3.286 ( -0.648 0.298 -4.030) 4.092 3.314 ( 3.738 0.594 1.368) 4.025 3.352 ( 3.230 -0.922 -0.650) 3.421 3.465 ( 1.733 0.119 3.799) 4.177 3.532 ( 1.061 3.240 -3.306) 4.749 3.601 ( -1.139 2.675 2.977) 4.161 3.707 ( -2.833 -2.277 1.573) 3.961 3.749 ( 0.517 -1.370 3.441) 3.740 3.844 ( -0.395 0.211 -8.903) 8.914 3.886 ( -2.607 -0.339 2.200) 3.428 3.960 ( 1.715 0.732 -4.540) 4.908 4.040 ( 1.596 -4.752 1.624) 5.269 4.130 ( -2.614 -3.708 -4.761) 6.576 4.148 ( -0.003 -5.134 -1.874) 5.465 4.171 ( 4.764 4.431 -1.732) 6.733 4.314 ( 1.617 0.465 -4.825) 5.110 4.491 ( 1.714 4.722 -1.732) 5.313 4.580 ( 1.345 5.056 -3.161) 6.113 4.773 ( -1.618 -4.792 -0.362) 5.071 4.831 ( 0.075 -5.519 -1.510) 5.722 5.125 ( -2.746 -2.015 3.522) 4.899 5.180 ( 1.000 -3.822 2.463) 4.655 5.267 ( -3.310 2.778 1.165) 4.475 5.287 ( -0.555 -0.272 4.246) 4.291 5.525 ( -3.142 3.213 4.289) 6.212 5.561 ( 0.326 4.234 4.272) 6.024 5.883 ( -0.063 0.668 3.143) 3.214 5.964 ( 1.233 -2.092 -0.843) 2.571 6.407 ( -0.546 3.811 1.734) 4.222 6.448 ( 1.159 6.489 -1.148) 6.691 6.595 ( -1.502 -3.137 3.008) 4.598 6.718 ( 1.543 -2.523 -1.828) 3.477 7.200 ( 1.401 0.986 2.686) 3.186 7.267 ( 0.895 -0.953 -3.544) 3.777 7.426 ( 0.864 0.590 -3.222) 3.387 7.472 ( 0.009 -0.196 -8.169) 8.172 7.644 ( 0.171 0.680 -12.550) 12.570 7.759 ( 4.774 -2.459 -8.851) 10.352 7.850 ( 0.591 0.247 -4.130) 4.180 7.876 ( -1.272 -0.524 -5.794) 5.955 8.157 ( 1.153 0.236 -2.421) 2.692 8.174 ( 0.427 -0.427 -0.923) 1.103 8.288 ( -0.126 1.127 3.465) 3.646 8.344 ( -0.207 -1.198 -2.061) 2.393 8.783 ( 0.190 0.738 -3.113) 3.205 8.846 ( 0.949 -0.959 0.118) 1.355 9.002 ( -0.748 5.873 -0.541) 5.945 9.135 ( -0.706 5.964 -6.058) 8.530 9.609 ( -1.654 -4.295 2.894) 5.437 9.676 ( -1.698 -2.111 0.700) 2.798 10.032 ( -2.697 -0.306 2.776) 3.882 10.158 ( 0.963 -2.100 -1.340) 2.671 10.207 ( 1.074 -0.470 -1.956) 2.280 10.221 ( 0.372 0.091 -1.150) 1.212 10.330 ( 0.673 -1.782 1.546) 2.453 10.396 ( 0.496 -2.217 0.428) 2.312 11.225 ( -1.085 7.267 14.214) 16.001 11.564 ( -0.251 -4.438 -1.495) 4.690 11.674 ( 0.724 1.267 -3.107) 3.432 11.692 ( -1.230 0.517 -2.512) 2.844 11.774 ( -0.939 -0.972 -5.278) 5.448 11.825 ( 2.748 -1.519 -7.385) 8.025 11.909 ( 1.730 1.419 -5.160) 5.625 11.970 ( 1.511 -2.398 -6.947) 7.503 12.437 ( -0.607 8.572 4.342) 9.628 12.701 ( 0.656 0.677 -5.751) 5.828 12.898 ( -1.676 -0.416 -1.146) 2.072 12.975 ( 0.512 1.931 -1.130) 2.295 13.219 ( 0.575 -2.514 5.708) 6.263 13.339 ( 0.028 -2.348 -5.076) 5.592 13.479 ( 1.523 -7.946 -0.411) 8.101 13.579 ( 0.791 -12.932 -4.942) 13.867 14.127 ( -2.397 1.651 5.388) 6.124 14.172 ( 0.933 3.114 5.197) 6.130 14.329 ( -2.308 3.909 0.896) 4.627 14.424 ( 1.654 6.289 1.964) 6.793 14.568 ( -5.940 -0.483 -0.613) 5.991 14.712 ( 1.844 4.467 3.764) 6.126 14.772 ( -0.280 -1.856 0.776) 2.031 14.860 ( 3.428 -1.331 2.826) 4.638 20.465 ( -0.790 1.654 0.689) 1.958 20.527 ( 0.142 -0.687 -0.291) 0.759 20.802 ( 5.246 -0.081 1.173) 5.376 20.849 ( 4.756 -1.581 -2.335) 5.529 20.954 ( -1.949 -0.276 -3.676) 4.170 20.980 ( -1.732 -1.490 -6.314) 6.715 21.094 ( 0.114 -0.037 0.856) 0.865 21.124 ( -0.859 -0.515 -1.475) 1.783 21.234 ( -0.257 3.897 -0.537) 3.942 21.271 ( -0.240 2.713 -1.568) 3.142 21.658 ( -1.186 -1.497 -0.289) 1.932 21.718 ( 0.826 -0.526 -2.740) 2.910 21.891 ( 2.212 -0.825 4.743) 5.298 22.000 ( 1.039 -4.974 4.806) 6.994 22.266 ( 0.225 4.326 -4.355) 6.143 22.353 ( -0.233 -0.781 -4.741) 4.811 22.944 ( -0.405 0.549 -2.162) 2.267 22.947 ( -1.297 0.833 -1.372) 2.064 23.050 ( -0.496 -0.749 2.624) 2.774 23.079 ( -0.542 -0.877 1.651) 1.946 23.323 ( -1.103 1.491 6.363) 6.628 23.345 ( -1.256 1.502 4.865) 5.244 23.431 ( -1.528 -0.793 6.644) 6.863 23.506 ( -2.239 -2.681 2.123) 4.087 23.951 ( -1.077 0.535 0.703) 1.393 23.992 ( -0.774 0.382 2.860) 2.987 24.029 ( 0.876 1.503 0.260) 1.759 24.183 ( 4.603 -2.836 1.948) 5.747 24.295 ( -2.303 3.644 -1.917) 4.718 24.388 ( 0.468 0.511 -3.358) 3.429 24.516 ( -3.317 2.140 3.159) 5.056 24.689 ( 0.042 -3.633 -3.006) 4.716 ======================= Grid point 82 (47/63) ======================= q-point: ( 0.40 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -5.122 -0.971 1.888) 5.545 0.877 ( 2.155 -0.342 3.436) 4.070 0.935 ( -5.615 1.852 1.828) 6.189 0.983 ( -1.723 1.395 -1.783) 2.845 1.042 ( -2.385 -1.528 2.293) 3.644 1.098 ( 1.458 -1.343 2.615) 3.281 1.113 ( -3.460 0.305 2.915) 4.534 1.176 ( 0.701 -0.873 3.930) 4.086 1.234 ( 1.994 -1.409 0.850) 2.586 1.275 ( 2.073 -1.254 -1.916) 3.089 1.281 ( -1.606 -0.965 0.023) 1.873 1.303 ( -1.078 0.205 2.948) 3.146 1.330 ( 3.015 -1.699 1.546) 3.790 1.374 ( 0.016 0.135 -0.242) 0.278 1.434 ( 1.332 -4.083 -0.657) 4.344 1.499 ( -0.161 -5.507 3.123) 6.333 1.558 ( -1.741 1.415 -1.288) 2.587 1.576 ( -5.029 4.888 -0.826) 7.062 1.645 ( 0.629 -0.934 -4.147) 4.298 1.685 ( 0.556 -1.142 -1.338) 1.845 1.730 ( 1.045 -1.819 0.110) 2.101 1.795 ( -2.690 4.258 4.932) 7.050 1.814 ( 0.123 0.550 3.127) 3.178 1.841 ( -1.052 -0.612 6.864) 6.972 1.918 ( -0.106 -1.311 -0.273) 1.343 1.952 ( -1.893 0.993 -0.368) 2.169 2.048 ( 0.846 3.217 -1.358) 3.593 2.157 ( -0.130 0.836 -3.090) 3.204 2.200 ( 0.477 2.556 1.362) 2.936 2.226 ( 0.182 2.521 0.280) 2.543 2.308 ( -0.185 0.597 -3.257) 3.317 2.328 ( -3.372 1.324 1.854) 4.069 2.441 ( 2.421 -1.937 3.253) 4.494 2.581 ( 2.856 -0.849 1.122) 3.184 2.664 ( 1.184 0.726 10.004) 10.100 2.705 ( -1.405 -6.213 3.469) 7.253 2.782 ( -0.320 -2.810 -0.961) 2.987 2.839 ( 0.745 -0.965 2.848) 3.098 2.948 ( 0.568 -0.988 4.817) 4.950 2.956 ( 2.260 0.268 12.213) 12.424 3.034 ( -2.502 -1.448 6.793) 7.383 3.088 ( -3.605 -3.131 14.010) 14.801 3.151 ( -1.636 7.547 1.786) 7.926 3.257 ( 1.202 0.975 -3.908) 4.203 3.273 ( 1.816 0.631 -0.821) 2.091 3.313 ( -2.919 -0.733 3.430) 4.564 3.420 ( 2.033 -0.346 0.765) 2.199 3.498 ( -0.867 1.149 0.911) 1.703 3.547 ( -1.480 3.258 0.867) 3.682 3.595 ( -1.800 2.448 -0.826) 3.149 3.666 ( 3.015 1.455 -1.006) 3.496 3.771 ( 1.000 1.034 0.514) 1.527 3.791 ( -3.002 1.424 -2.407) 4.103 3.888 ( 3.372 -1.110 -5.730) 6.741 3.979 ( 0.635 0.184 -2.671) 2.751 4.061 ( -1.771 -1.940 -3.109) 4.070 4.102 ( 3.538 -3.582 -0.415) 5.052 4.133 ( 0.079 -6.401 -0.812) 6.453 4.278 ( 3.651 2.218 -2.138) 4.777 4.339 ( 2.881 1.016 -3.646) 4.756 4.527 ( 2.167 4.442 -1.734) 5.238 4.591 ( 0.619 4.821 -3.501) 5.990 4.748 ( -0.715 -3.754 0.863) 3.918 4.794 ( -2.861 -2.510 -1.271) 4.013 5.082 ( -1.627 0.750 2.869) 3.382 5.186 ( -4.137 2.767 0.700) 5.026 5.241 ( 3.668 -3.985 1.907) 5.742 5.291 ( -0.760 -1.022 3.709) 3.922 5.500 ( -0.729 -0.506 5.333) 5.406 5.555 ( -2.243 -0.271 3.796) 4.417 5.895 ( -0.063 1.137 3.499) 3.679 5.985 ( 0.931 -2.255 -0.981) 2.630 6.394 ( -1.331 2.525 2.347) 3.696 6.471 ( 1.298 6.129 -1.921) 6.553 6.585 ( -0.461 -3.973 3.899) 5.586 6.745 ( 1.622 -3.931 -2.846) 5.117 7.234 ( 0.454 1.913 3.597) 4.099 7.293 ( 2.615 0.459 -2.954) 3.972 7.426 ( 1.008 -0.456 -6.429) 6.523 7.455 ( 0.404 -1.269 -6.028) 6.174 7.634 ( 3.034 3.428 -10.750) 11.684 7.799 ( -2.407 -1.560 -7.830) 8.339 7.810 ( 2.265 -1.415 -7.069) 7.556 7.843 ( 0.055 -0.806 -6.165) 6.218 8.166 ( 0.255 0.324 -2.245) 2.283 8.170 ( -0.220 0.024 -1.014) 1.038 8.288 ( -0.995 2.115 3.396) 4.122 8.355 ( 1.800 -0.384 -1.753) 2.542 8.797 ( 2.159 2.539 -3.108) 4.557 8.846 ( -0.820 -0.139 -0.918) 1.239 8.964 ( -2.525 5.494 -0.787) 6.098 9.113 ( 0.894 4.805 -5.916) 7.674 9.593 ( -1.085 -2.179 2.930) 3.809 9.650 ( -0.387 -0.610 0.509) 0.884 9.998 ( -1.739 -2.268 4.523) 5.351 10.145 ( -1.474 -5.554 -1.106) 5.852 10.214 ( 0.487 -0.179 -1.425) 1.516 10.244 ( 1.827 0.022 -2.959) 3.477 10.351 ( 0.757 -2.951 1.417) 3.360 10.402 ( -0.249 -2.914 0.381) 2.949 11.242 ( -2.359 8.160 14.966) 17.208 11.545 ( -1.038 -3.025 0.135) 3.201 11.647 ( -1.703 0.412 -2.979) 3.456 11.695 ( 2.430 -0.316 -4.824) 5.410 11.766 ( 1.701 -0.159 -5.305) 5.573 11.838 ( 1.544 0.625 -9.022) 9.174 11.933 ( 1.535 0.637 -5.231) 5.488 11.980 ( 1.834 -3.524 -5.787) 7.019 12.467 ( 1.636 6.429 7.097) 9.715 12.707 ( 1.311 0.481 -2.675) 3.018 12.837 ( -2.612 4.630 -5.853) 7.907 12.940 ( -3.103 3.387 -2.537) 5.248 13.239 ( -0.616 -3.102 5.874) 6.672 13.349 ( 2.301 -4.636 -4.445) 6.822 13.507 ( 1.184 -8.449 -0.774) 8.567 13.581 ( 0.935 -13.147 -4.620) 13.967 14.119 ( 0.066 2.094 6.016) 6.370 14.225 ( 2.130 0.240 4.239) 4.750 14.279 ( -2.768 3.330 1.068) 4.459 14.451 ( -3.346 -4.469 1.543) 5.792 14.485 ( 1.388 10.499 1.389) 10.681 14.674 ( -3.216 5.251 -0.910) 6.225 14.834 ( 2.461 -0.243 4.173) 4.851 14.912 ( 0.860 -1.257 1.989) 2.505 20.484 ( 2.065 1.186 1.707) 2.930 20.551 ( 1.961 -1.378 0.502) 2.448 20.856 ( -3.056 0.056 -1.514) 3.411 20.897 ( -3.432 -1.189 -6.517) 7.460 20.927 ( 4.465 0.323 -2.514) 5.134 20.967 ( 5.227 -0.044 -0.158) 5.229 21.082 ( -2.360 1.917 -0.969) 3.191 21.121 ( 1.693 -1.380 0.742) 2.307 21.213 ( -1.226 3.703 -1.739) 4.271 21.272 ( 0.753 3.145 -2.078) 3.844 21.634 ( -0.271 -2.753 -1.105) 2.978 21.725 ( 0.318 -3.970 -3.542) 5.330 21.973 ( 3.726 -0.999 4.733) 6.106 22.028 ( -0.504 -2.450 6.619) 7.076 22.238 ( -1.487 2.693 -3.583) 4.723 22.309 ( -2.106 -0.536 -5.020) 5.470 22.892 ( -2.402 1.338 -0.724) 2.843 22.941 ( 0.379 -0.512 -4.055) 4.105 23.060 ( 0.117 -0.086 1.874) 1.880 23.070 ( -0.284 -0.776 1.512) 1.724 23.325 ( -1.075 1.193 6.030) 6.240 23.339 ( -0.911 1.832 5.988) 6.328 23.409 ( -2.700 -1.192 6.679) 7.302 23.475 ( -1.228 -2.601 3.231) 4.326 23.935 ( -0.888 -0.421 0.807) 1.271 23.968 ( -0.967 -1.393 -0.070) 1.697 24.071 ( 1.289 5.004 2.132) 5.590 24.219 ( 0.064 5.100 -3.599) 6.242 24.290 ( -0.120 -3.445 4.704) 5.831 24.394 ( 1.656 -1.222 -1.546) 2.575 24.500 ( 1.163 3.000 2.292) 3.950 24.662 ( -1.430 -3.301 -3.943) 5.337 ======================= Grid point 83 (48/63) ======================= q-point: (-0.40 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -5.599 6.784 4.230) 9.760 0.824 ( -4.923 6.833 8.350) 11.860 0.922 ( -1.940 -1.493 0.209) 2.457 0.977 ( 1.840 -2.525 2.777) 4.180 0.994 ( 0.513 -3.723 -2.784) 4.677 1.079 ( -1.757 1.597 2.403) 3.378 1.134 ( 2.979 -0.295 2.164) 3.694 1.196 ( -1.507 -0.044 2.853) 3.227 1.263 ( 0.163 -2.447 -1.211) 2.736 1.276 ( -0.230 -1.255 2.843) 3.116 1.318 ( 2.530 -0.790 0.503) 2.698 1.322 ( 2.062 -2.033 0.548) 2.947 1.379 ( 1.335 -0.322 1.275) 1.874 1.401 ( 1.466 0.452 -3.407) 3.736 1.465 ( 3.235 -2.483 1.356) 4.298 1.490 ( -1.107 3.083 -0.453) 3.307 1.515 ( 0.666 -2.026 -0.249) 2.147 1.570 ( 2.548 -3.814 1.327) 4.775 1.642 ( 1.012 -1.247 -4.036) 4.344 1.690 ( 0.373 0.268 -0.123) 0.476 1.723 ( -3.060 -3.848 -0.131) 4.918 1.784 ( 0.483 2.156 4.470) 4.986 1.812 ( -2.299 1.411 7.171) 7.661 1.832 ( -1.232 0.322 -0.095) 1.277 1.903 ( -1.913 -1.358 2.563) 3.475 1.922 ( 0.450 -0.414 0.779) 0.990 2.044 ( -1.303 3.179 0.844) 3.538 2.116 ( -2.543 1.475 -2.641) 3.952 2.190 ( -1.364 4.206 1.645) 4.718 2.220 ( -2.748 4.171 0.237) 5.001 2.281 ( 1.224 2.817 2.582) 4.013 2.328 ( 0.740 -1.731 -1.774) 2.587 2.467 ( -0.637 -1.785 2.198) 2.902 2.629 ( 1.404 -0.583 -1.150) 1.906 2.683 ( -1.890 -4.902 5.921) 7.916 2.734 ( 2.174 2.279 4.437) 5.441 2.761 ( -0.900 -0.541 -0.204) 1.070 2.865 ( 0.474 -5.413 2.522) 5.990 2.944 ( -2.082 -0.756 11.566) 11.776 3.003 ( -2.593 -2.992 2.206) 4.533 3.033 ( -1.047 -1.714 12.541) 12.701 3.074 ( -1.960 -1.656 13.954) 14.188 3.109 ( -2.523 1.809 4.131) 5.167 3.204 ( -4.098 -0.672 -0.372) 4.169 3.292 ( 0.401 0.621 3.384) 3.464 3.325 ( 1.322 0.246 -0.128) 1.351 3.404 ( -3.388 0.635 -2.954) 4.539 3.460 ( -2.280 -1.375 -2.971) 3.989 3.539 ( -4.624 5.804 3.853) 8.361 3.563 ( 4.014 8.594 -0.526) 9.500 3.617 ( -4.583 5.558 -0.923) 7.263 3.775 ( 1.816 1.168 -1.561) 2.665 3.833 ( 2.985 -3.718 -2.180) 5.243 3.933 ( -0.325 -4.941 -5.979) 7.763 3.948 ( 0.415 2.428 -1.304) 2.788 4.066 ( 2.342 0.698 -2.442) 3.455 4.136 ( 0.682 -5.555 -1.267) 5.738 4.176 ( 3.544 -1.243 -2.537) 4.532 4.271 ( -2.116 0.786 -3.375) 4.060 4.382 ( 1.169 -1.344 -4.247) 4.605 4.548 ( 0.193 5.179 -1.675) 5.446 4.576 ( -0.876 2.944 -3.492) 4.651 4.741 ( -0.929 -2.763 1.961) 3.513 4.765 ( 1.469 -3.707 -0.078) 3.989 5.087 ( 0.185 3.771 2.152) 4.346 5.149 ( 1.245 2.148 1.901) 3.127 5.270 ( -2.090 -2.740 1.459) 3.742 5.308 ( 1.617 -1.788 2.229) 3.283 5.512 ( -2.994 -2.236 4.897) 6.160 5.536 ( 2.274 -2.455 4.575) 5.668 5.899 ( -0.788 1.998 3.645) 4.231 5.989 ( -0.256 -1.605 -1.263) 2.059 6.380 ( -0.639 3.309 2.581) 4.244 6.478 ( 0.025 6.080 -2.020) 6.407 6.600 ( 0.392 -4.043 3.978) 5.685 6.752 ( 0.073 -4.811 -3.797) 6.130 7.227 ( -2.057 2.217 2.305) 3.803 7.334 ( 1.890 1.232 -2.507) 3.373 7.410 ( -0.628 -1.404 -5.077) 5.305 7.472 ( 3.895 -0.816 -8.451) 9.342 7.684 ( 4.094 2.831 -6.243) 7.984 7.713 ( -2.099 0.068 -11.101) 11.298 7.802 ( -0.228 -1.575 -6.698) 6.884 7.855 ( 2.658 -1.812 -6.021) 6.827 8.150 ( -0.998 0.286 -0.405) 1.114 8.161 ( -0.481 0.154 -1.670) 1.744 8.277 ( -0.814 3.073 1.822) 3.664 8.391 ( 1.843 -0.968 -1.008) 2.313 8.800 ( -1.313 1.963 -1.326) 2.708 8.849 ( 1.597 -0.550 -3.356) 3.757 8.926 ( -0.255 8.167 0.337) 8.178 9.128 ( 2.309 4.153 -5.821) 7.515 9.583 ( -0.433 -1.819 2.671) 3.260 9.676 ( 2.423 -1.465 0.082) 2.833 9.993 ( -0.314 -1.956 4.690) 5.091 10.111 ( -1.416 -6.770 -0.194) 6.919 10.214 ( -0.077 -0.335 -1.395) 1.436 10.260 ( 0.742 -0.804 -2.876) 3.077 10.363 ( -0.243 -2.429 1.729) 2.992 10.392 ( -0.517 -2.360 -0.460) 2.459 11.230 ( -3.660 7.003 14.570) 16.575 11.530 ( -0.718 -5.314 1.388) 5.539 11.625 ( 0.727 1.327 -3.144) 3.489 11.732 ( 2.535 -2.008 -5.022) 5.973 11.779 ( 1.119 2.086 -5.983) 6.434 11.843 ( 1.978 0.878 -7.733) 8.030 11.932 ( 0.748 0.899 -6.360) 6.467 11.988 ( 0.743 -1.349 -7.040) 7.206 12.537 ( 1.996 4.083 7.457) 8.733 12.705 ( -1.694 0.820 -1.536) 2.429 12.797 ( 1.458 7.016 -2.863) 7.716 12.870 ( -1.623 2.863 -5.488) 6.399 13.236 ( -1.229 -0.913 3.444) 3.769 13.380 ( 1.562 -7.454 -1.714) 7.807 13.512 ( -0.444 -8.089 -1.859) 8.312 13.581 ( 0.661 -12.415 -4.710) 13.294 14.166 ( 1.773 1.128 5.837) 6.204 14.202 ( -2.648 0.118 0.955) 2.818 14.310 ( 2.429 1.135 5.279) 5.921 14.387 ( -1.612 -1.033 -0.641) 2.020 14.551 ( 3.260 7.491 4.310) 9.237 14.601 ( -3.684 5.769 -1.663) 7.044 14.866 ( -0.772 0.411 3.679) 3.782 14.908 ( -1.556 -1.190 1.229) 2.312 20.539 ( 2.165 0.204 1.499) 2.641 20.582 ( 0.381 -1.738 -1.017) 2.049 20.796 ( -1.662 1.207 -1.361) 2.464 20.834 ( 0.050 -0.737 -4.454) 4.515 20.936 ( -4.034 2.633 -3.094) 5.725 20.995 ( -0.134 0.044 -1.139) 1.148 21.110 ( 3.487 0.682 0.764) 3.634 21.147 ( 0.681 -0.283 -1.744) 1.893 21.196 ( 0.187 3.322 0.396) 3.350 21.286 ( 1.756 2.194 -4.190) 5.045 21.637 ( 0.245 -4.276 -1.011) 4.401 21.710 ( 0.396 -3.722 -4.196) 5.623 21.995 ( -3.826 0.189 5.862) 7.003 22.059 ( 1.204 -3.451 3.697) 5.199 22.196 ( -1.092 2.096 -1.763) 2.949 22.270 ( 0.326 -0.333 -2.972) 3.008 22.864 ( -0.018 2.216 0.305) 2.237 22.937 ( 0.576 -0.089 -3.477) 3.526 23.055 ( -0.353 -0.138 1.517) 1.564 23.091 ( 1.179 -0.992 0.562) 1.640 23.326 ( -0.670 1.001 6.211) 6.327 23.345 ( -0.614 2.040 5.629) 6.018 23.378 ( -2.461 -0.987 7.062) 7.543 23.487 ( 0.919 -3.564 4.034) 5.461 23.921 ( -0.688 -0.227 1.096) 1.313 23.963 ( 0.549 -1.664 -0.054) 1.753 24.072 ( -1.874 4.885 2.771) 5.921 24.225 ( 0.775 4.781 -3.827) 6.173 24.258 ( -2.336 -0.964 2.847) 3.807 24.471 ( 5.628 -2.063 -1.428) 6.162 24.549 ( 1.978 0.973 2.806) 3.569 24.612 ( -1.931 -2.057 -5.124) 5.849 ======================= Grid point 84 (49/63) ======================= q-point: (-0.20 0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 0.629 6.077 9.109) 10.968 0.777 ( -2.966 4.488 11.860) 13.023 0.920 ( 1.468 -3.101 3.607) 4.978 0.988 ( 1.427 -0.987 -1.688) 2.421 1.060 ( 1.011 -5.470 1.928) 5.887 1.076 ( 2.408 3.831 3.273) 5.585 1.165 ( -1.048 -2.976 0.281) 3.167 1.205 ( 1.225 -2.970 1.993) 3.781 1.225 ( -1.742 0.291 -2.222) 2.838 1.263 ( -1.559 -3.132 2.611) 4.366 1.337 ( -1.865 1.109 0.535) 2.234 1.362 ( 0.578 1.232 0.932) 1.650 1.398 ( 1.785 -0.418 -0.472) 1.893 1.428 ( 2.049 -2.353 -3.492) 4.683 1.491 ( 0.886 -0.556 -2.173) 2.412 1.519 ( 0.862 -1.591 4.127) 4.506 1.553 ( -2.044 -4.607 -0.924) 5.124 1.588 ( 1.056 -4.324 -0.145) 4.454 1.652 ( -0.728 1.745 3.709) 4.163 1.694 ( 3.589 -0.946 -1.708) 4.085 1.732 ( 3.138 -0.970 -0.571) 3.333 1.766 ( -3.082 -0.278 6.172) 6.904 1.817 ( -0.742 1.897 4.221) 4.686 1.839 ( 3.164 3.763 -3.087) 5.805 1.884 ( 0.165 0.194 1.382) 1.405 1.948 ( 0.766 -1.788 2.493) 3.162 2.014 ( -1.547 4.297 2.386) 5.153 2.057 ( -1.360 2.837 -5.095) 5.988 2.166 ( -1.220 3.975 3.646) 5.530 2.190 ( -0.722 4.588 0.991) 4.749 2.316 ( 0.957 2.308 3.523) 4.319 2.332 ( 0.703 0.937 -3.669) 3.852 2.435 ( -3.028 -1.149 2.190) 3.910 2.627 ( -0.877 1.732 -4.215) 4.641 2.656 ( -2.413 -1.479 5.069) 5.806 2.734 ( -1.951 -1.492 3.653) 4.402 2.792 ( 1.207 6.182 5.781) 8.550 2.861 ( -2.237 -8.005 4.180) 9.303 2.925 ( -3.248 -1.035 8.017) 8.712 2.951 ( -3.162 -2.894 1.107) 4.427 2.994 ( -6.372 -1.320 13.572) 15.051 3.066 ( -0.710 -1.267 -0.644) 1.588 3.104 ( -0.767 -3.489 11.085) 11.647 3.182 ( 0.905 -0.576 1.601) 1.927 3.262 ( -3.724 -0.077 5.699) 6.808 3.335 ( -2.469 -0.512 6.605) 7.070 3.358 ( -0.728 1.642 -2.590) 3.152 3.400 ( 0.975 0.876 -2.777) 3.070 3.487 ( -1.557 2.822 2.340) 3.983 3.558 ( 0.830 3.917 -3.897) 5.588 3.654 ( 3.055 6.062 -1.747) 7.010 3.805 ( 0.719 0.705 -1.491) 1.799 3.857 ( 0.359 -1.483 1.482) 2.128 3.888 ( -0.168 -3.125 -1.257) 3.373 3.975 ( 1.462 0.342 -1.774) 2.325 4.082 ( -0.641 -0.660 -3.455) 3.576 4.120 ( -2.036 -2.951 -1.794) 4.009 4.196 ( -0.919 -0.393 -4.670) 4.776 4.239 ( 1.670 -2.343 -4.926) 5.705 4.347 ( -2.433 -3.054 -5.539) 6.777 4.521 ( -2.114 3.889 -0.485) 4.453 4.558 ( 0.545 4.589 -3.503) 5.799 4.754 ( 1.335 -3.594 0.973) 3.956 4.807 ( 1.954 -5.293 0.038) 5.642 5.107 ( 1.523 0.879 2.652) 3.182 5.195 ( -0.528 -1.508 2.354) 2.845 5.249 ( 1.175 0.574 1.926) 2.328 5.319 ( -0.829 -0.988 2.188) 2.540 5.489 ( -0.792 0.971 6.146) 6.272 5.589 ( 1.001 0.687 3.024) 3.259 5.890 ( -1.203 2.142 3.449) 4.235 5.970 ( -0.947 -0.940 -1.319) 1.876 6.388 ( 0.452 4.763 2.099) 5.225 6.463 ( -0.838 6.573 -1.518) 6.798 6.617 ( -0.148 -3.349 3.197) 4.633 6.729 ( -0.871 -3.804 -3.368) 5.155 7.189 ( -1.855 1.333 1.246) 2.603 7.329 ( -1.491 -1.358 -2.977) 3.596 7.398 ( 1.415 1.712 -5.663) 6.083 7.525 ( 2.719 -1.797 -5.223) 6.157 7.649 ( 1.120 0.616 -14.708) 14.763 7.726 ( 0.948 -1.636 -6.694) 6.956 7.797 ( 2.266 1.400 -5.128) 5.778 7.886 ( 2.006 -1.084 -4.609) 5.143 8.132 ( -0.321 0.280 -0.261) 0.500 8.151 ( 0.158 -0.196 -0.968) 1.000 8.273 ( -0.068 2.473 0.872) 2.623 8.403 ( -0.500 -2.130 -0.971) 2.394 8.786 ( 0.680 0.776 -1.073) 1.489 8.838 ( -1.123 -1.950 -1.809) 2.887 8.961 ( 2.484 9.671 0.070) 9.985 9.153 ( 1.937 4.800 -5.795) 7.771 9.601 ( 1.115 -3.629 2.578) 4.589 9.715 ( 0.757 -4.007 -0.286) 4.087 10.019 ( 1.751 0.148 3.162) 3.618 10.098 ( 0.161 -4.196 0.361) 4.215 10.203 ( -0.492 -0.267 -0.982) 1.130 10.253 ( -0.568 -1.357 -1.778) 2.308 10.350 ( -1.619 -0.552 2.070) 2.685 10.384 ( 0.108 -1.452 -1.238) 1.911 11.207 ( -3.119 5.622 13.754) 15.183 11.532 ( 0.704 -7.331 0.664) 7.394 11.647 ( 2.059 1.322 -2.130) 3.243 11.740 ( -0.268 -2.675 -3.441) 4.367 11.781 ( 1.142 2.991 -6.335) 7.098 11.855 ( 1.369 0.472 -7.036) 7.183 11.928 ( 1.137 0.234 -7.656) 7.743 11.963 ( -0.268 1.554 -7.619) 7.780 12.531 ( -3.774 7.518 1.531) 8.550 12.709 ( 1.925 -0.180 1.425) 2.402 12.807 ( 1.381 0.764 -5.192) 5.427 12.896 ( 3.989 2.959 1.365) 5.151 13.211 ( -1.918 1.030 1.152) 2.463 13.395 ( 0.156 -7.179 0.221) 7.184 13.480 ( -1.568 -7.499 -2.723) 8.131 13.580 ( 0.924 -11.814 -5.142) 12.917 14.155 ( -1.765 1.172 3.350) 3.964 14.206 ( -1.192 -0.751 4.354) 4.576 14.340 ( 0.664 2.891 1.464) 3.308 14.439 ( 5.105 2.808 3.846) 6.981 14.507 ( -4.381 5.342 -1.293) 7.028 14.650 ( 4.676 2.531 4.540) 6.991 14.817 ( -4.769 -0.764 1.379) 5.023 14.874 ( -2.317 -0.133 1.618) 2.829 20.550 ( -1.471 -0.345 -0.965) 1.792 20.565 ( -0.467 -1.002 -2.022) 2.304 20.752 ( -3.166 3.290 -0.278) 4.575 20.855 ( -0.193 -1.429 -2.375) 2.779 20.891 ( 3.154 0.609 -1.844) 3.703 20.956 ( -1.145 -0.921 -3.179) 3.502 21.147 ( 0.259 0.051 -1.639) 1.660 21.153 ( 0.182 0.609 -0.962) 1.153 21.209 ( 0.836 2.725 0.863) 2.978 21.302 ( 0.813 1.582 -4.132) 4.499 21.625 ( -0.182 -2.176 -1.146) 2.466 21.736 ( 2.465 -2.187 -2.584) 4.187 21.917 ( -5.096 0.418 5.232) 7.316 22.029 ( -3.685 -4.964 1.374) 6.333 22.219 ( 2.768 3.255 -1.338) 4.477 22.297 ( 2.626 -0.528 -1.397) 3.021 22.895 ( 2.560 2.061 0.854) 3.396 22.941 ( 0.689 1.412 -1.675) 2.297 23.059 ( 0.123 -0.886 1.351) 1.620 23.105 ( -0.246 -1.353 0.334) 1.415 23.332 ( -0.939 1.120 5.731) 5.914 23.352 ( -1.014 1.465 5.346) 5.635 23.375 ( 0.336 0.106 7.855) 7.862 23.520 ( 0.848 -4.361 3.109) 5.423 23.924 ( 0.683 0.541 1.497) 1.732 23.988 ( 1.689 -0.903 1.102) 2.210 24.031 ( -2.679 2.867 2.652) 4.736 24.172 ( -4.005 -2.107 1.628) 4.810 24.278 ( 2.666 5.556 -3.981) 7.336 24.521 ( -2.425 -2.698 -6.138) 7.130 24.590 ( 1.967 0.327 1.052) 2.255 24.596 ( 3.010 -0.750 -0.229) 3.111 ======================= Grid point 85 (50/63) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -1.316 -6.335 6.487) 9.162 0.799 ( -1.316 6.335 6.487) 9.162 0.900 ( 1.315 -1.233 6.447) 6.695 0.900 ( 1.315 1.233 6.447) 6.695 1.057 ( 1.865 -2.278 -2.353) 3.769 1.057 ( 1.865 2.278 -2.353) 3.769 1.151 ( -1.771 -1.242 3.228) 3.886 1.151 ( -1.771 1.242 3.228) 3.886 1.224 ( 0.092 -2.361 2.360) 3.340 1.224 ( 0.092 2.361 2.360) 3.340 1.367 ( -2.299 -2.248 0.313) 3.231 1.367 ( -2.299 2.248 0.313) 3.231 1.389 ( -0.153 -1.511 -1.995) 2.508 1.389 ( -0.153 1.511 -1.995) 2.508 1.421 ( -0.622 -2.250 -2.990) 3.794 1.421 ( -0.622 2.250 -2.990) 3.794 1.595 ( 1.392 -2.547 2.751) 3.999 1.595 ( 1.392 2.547 2.751) 3.999 1.695 ( -1.091 -3.851 2.840) 4.908 1.695 ( -1.091 3.851 2.840) 4.908 1.767 ( 0.334 -2.377 1.912) 3.068 1.767 ( 0.334 2.377 1.912) 3.068 1.830 ( -0.640 -3.270 3.391) 4.754 1.830 ( -0.640 3.270 3.391) 4.754 1.967 ( 1.590 -1.141 0.627) 2.055 1.967 ( 1.590 1.141 0.627) 2.055 2.078 ( 1.749 -0.645 -4.021) 4.432 2.078 ( 1.749 0.645 -4.021) 4.432 2.248 ( -0.552 -3.845 1.618) 4.208 2.248 ( -0.552 3.845 1.618) 4.208 2.362 ( 0.392 -1.529 -0.030) 1.579 2.362 ( 0.392 1.529 -0.030) 1.579 2.505 ( 0.280 -10.153 3.207) 10.651 2.505 ( 0.280 10.153 3.207) 10.651 2.648 ( -2.687 -2.967 -1.118) 4.156 2.648 ( -2.687 2.967 -1.118) 4.156 2.811 ( -2.189 -6.307 7.781) 10.252 2.811 ( -2.189 6.307 7.781) 10.252 2.868 ( -1.988 -0.404 3.976) 4.464 2.868 ( -1.988 0.404 3.976) 4.464 3.025 ( -0.057 -3.996 8.002) 8.944 3.025 ( -0.057 3.996 8.002) 8.944 3.137 ( 4.234 -6.140 -1.306) 7.572 3.137 ( 4.234 6.140 -1.306) 7.572 3.256 ( -1.869 -1.069 5.389) 5.803 3.256 ( -1.869 1.069 5.389) 5.803 3.420 ( 0.690 -1.206 1.718) 2.210 3.420 ( 0.690 1.206 1.718) 2.210 3.576 ( 0.653 -3.053 2.762) 4.168 3.576 ( 0.653 3.053 2.762) 4.168 3.728 ( -1.954 -2.874 -1.133) 3.655 3.728 ( -1.954 2.874 -1.133) 3.655 3.856 ( 1.562 -1.279 -3.291) 3.861 3.856 ( 1.562 1.279 -3.291) 3.861 3.984 ( -1.248 -1.478 -0.016) 1.935 3.984 ( -1.248 1.478 -0.016) 1.935 4.132 ( -1.620 -0.797 -4.938) 5.258 4.132 ( -1.620 0.797 -4.938) 5.258 4.231 ( 1.505 -3.914 -5.315) 6.770 4.231 ( 1.505 3.914 -5.315) 6.770 4.617 ( 0.525 -4.848 0.291) 4.885 4.617 ( 0.525 4.848 0.291) 4.885 4.705 ( 0.074 -2.090 -2.304) 3.112 4.705 ( 0.074 2.090 -2.304) 3.112 5.129 ( -0.814 -0.840 3.513) 3.703 5.129 ( -0.814 0.840 3.513) 3.703 5.292 ( -0.618 -0.474 3.515) 3.600 5.292 ( -0.618 0.474 3.515) 3.600 5.616 ( 0.685 -1.828 3.400) 3.921 5.616 ( 0.685 1.828 3.400) 3.921 5.916 ( -0.987 -2.033 0.913) 2.437 5.916 ( -0.987 2.033 0.913) 2.437 6.516 ( -1.284 -4.477 2.455) 5.265 6.516 ( -1.284 4.477 2.455) 5.265 6.611 ( 0.781 -6.039 -1.816) 6.355 6.611 ( 0.781 6.039 -1.816) 6.355 7.221 ( -0.583 -3.355 -0.448) 3.435 7.221 ( -0.583 3.355 -0.448) 3.435 7.475 ( 0.187 -2.855 -4.459) 5.298 7.475 ( 0.187 2.855 -4.459) 5.298 7.665 ( 2.781 -0.395 -13.309) 13.603 7.665 ( 2.781 0.395 -13.309) 13.603 7.873 ( 1.087 -1.777 -3.863) 4.389 7.873 ( 1.087 1.777 -3.863) 4.389 8.147 ( 0.869 -0.603 -0.525) 1.181 8.147 ( 0.869 0.603 -0.525) 1.181 8.321 ( -0.713 -2.507 -0.820) 2.733 8.321 ( -0.713 2.507 -0.820) 2.733 8.802 ( 0.319 -0.658 -0.728) 1.032 8.802 ( 0.319 0.658 -0.728) 1.032 9.169 ( -0.288 -5.809 -0.566) 5.844 9.169 ( -0.288 5.809 -0.566) 5.844 9.595 ( 0.156 -3.791 -0.436) 3.819 9.595 ( 0.156 3.791 -0.436) 3.819 10.094 ( 1.778 -1.612 -0.250) 2.413 10.094 ( 1.778 1.612 -0.250) 2.413 10.204 ( -0.218 -1.216 -0.635) 1.389 10.204 ( -0.218 1.216 -0.635) 1.389 10.346 ( -0.900 -1.990 1.003) 2.403 10.346 ( -0.900 1.990 1.003) 2.403 11.373 ( 0.340 -9.371 8.356) 12.560 11.373 ( 0.340 9.371 8.356) 12.560 11.699 ( 0.767 -0.930 -1.835) 2.195 11.699 ( 0.767 0.930 -1.835) 2.195 11.805 ( -1.139 -1.531 -5.578) 5.895 11.805 ( -1.139 1.531 -5.578) 5.895 11.947 ( 0.932 -1.077 -8.712) 8.828 11.947 ( 0.932 1.077 -8.712) 8.828 12.665 ( -1.548 -7.164 -5.139) 8.951 12.665 ( -1.548 7.164 -5.139) 8.951 12.882 ( 2.427 -3.533 3.873) 5.777 12.882 ( 2.427 3.533 3.873) 5.777 13.277 ( -0.020 -5.426 0.300) 5.434 13.277 ( -0.020 5.426 0.300) 5.434 13.394 ( 0.257 -2.736 -4.957) 5.667 13.394 ( 0.257 2.736 -4.957) 5.667 14.170 ( -1.179 -0.604 4.530) 4.719 14.170 ( -1.179 0.604 4.530) 4.719 14.464 ( -0.263 -2.901 2.700) 3.972 14.464 ( -0.263 2.901 2.700) 3.972 14.640 ( 1.412 -4.053 1.946) 4.713 14.640 ( 1.412 4.053 1.946) 4.713 14.796 ( -1.649 -2.238 1.226) 3.038 14.796 ( -1.649 2.238 1.226) 3.038 20.529 ( -1.271 -0.998 -0.962) 1.881 20.529 ( -1.271 0.998 -0.962) 1.881 20.761 ( -0.445 -2.218 -1.719) 2.841 20.761 ( -0.445 2.218 -1.719) 2.841 20.960 ( 2.512 -0.559 -2.632) 3.681 20.960 ( 2.512 0.559 -2.632) 3.681 21.134 ( -1.449 -0.406 -2.606) 3.009 21.134 ( -1.449 0.406 -2.606) 3.009 21.284 ( 0.651 -1.738 -0.344) 1.888 21.284 ( 0.651 1.738 -0.344) 1.888 21.695 ( 0.652 -3.599 -1.566) 3.979 21.695 ( 0.652 3.599 -1.566) 3.979 21.883 ( -1.569 -2.712 4.345) 5.357 21.883 ( -1.569 2.712 4.345) 5.357 22.321 ( 2.125 -1.642 -2.886) 3.942 22.321 ( 2.125 1.642 -2.886) 3.942 22.977 ( 0.868 -0.589 -1.203) 1.597 22.977 ( 0.868 0.589 -1.203) 1.597 23.049 ( -0.990 -0.596 1.904) 2.228 23.049 ( -0.990 0.596 1.904) 2.228 23.360 ( -1.058 -1.020 5.827) 6.009 23.360 ( -1.058 1.020 5.827) 6.009 23.447 ( 0.045 -3.386 4.427) 5.574 23.447 ( 0.045 3.386 4.427) 5.574 23.997 ( 1.490 -2.168 2.778) 3.826 23.997 ( 1.490 2.168 2.778) 3.826 24.043 ( -1.815 -2.988 0.965) 3.627 24.043 ( -1.815 2.988 0.965) 3.627 24.408 ( -0.401 -3.024 -5.500) 6.289 24.408 ( -0.401 3.024 -5.500) 6.289 24.604 ( -0.194 -2.504 0.724) 2.613 24.604 ( -0.194 2.504 0.724) 2.613 ======================= Grid point 87 (51/63) ======================= q-point: ( 0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -1.792 -3.153 5.135) 6.287 0.778 ( -1.792 3.153 5.135) 6.287 0.957 ( 2.045 -1.351 3.110) 3.960 0.957 ( 2.045 1.351 3.110) 3.960 1.086 ( -0.972 -1.718 2.799) 3.425 1.086 ( -0.972 1.718 2.799) 3.425 1.157 ( 1.496 -3.151 3.012) 4.608 1.157 ( 1.496 3.151 3.012) 4.608 1.210 ( -0.426 -2.745 0.058) 2.779 1.210 ( -0.426 2.745 0.058) 2.779 1.317 ( -2.968 -0.929 -0.694) 3.187 1.317 ( -2.968 0.929 -0.694) 3.187 1.334 ( -2.486 -0.965 -1.247) 2.944 1.334 ( -2.486 0.965 -1.247) 2.944 1.428 ( 0.364 -2.709 -0.093) 2.735 1.428 ( 0.364 2.709 -0.093) 2.735 1.630 ( 1.349 -1.569 1.103) 2.345 1.630 ( 1.349 1.569 1.103) 2.345 1.669 ( -2.324 -3.805 -0.358) 4.473 1.669 ( -2.324 3.805 -0.358) 4.473 1.765 ( -0.867 -2.376 4.113) 4.828 1.765 ( -0.867 2.376 4.113) 4.828 1.842 ( 0.425 -0.278 3.310) 3.348 1.842 ( 0.425 0.278 3.310) 3.348 1.967 ( -1.514 -2.992 -0.308) 3.367 1.967 ( -1.514 2.992 -0.308) 3.367 2.111 ( 2.349 -2.951 -4.508) 5.878 2.111 ( 2.349 2.951 -4.508) 5.878 2.241 ( -0.500 -3.365 1.638) 3.776 2.241 ( -0.500 3.365 1.638) 3.776 2.360 ( -0.756 -2.481 0.288) 2.610 2.360 ( -0.756 2.481 0.288) 2.610 2.505 ( -1.683 -9.272 5.133) 10.730 2.505 ( -1.683 9.272 5.133) 10.730 2.601 ( -0.448 -3.922 -0.697) 4.009 2.601 ( -0.448 3.922 -0.697) 4.009 2.813 ( -0.884 -3.685 4.364) 5.780 2.813 ( -0.884 3.685 4.364) 5.780 2.884 ( 2.425 -3.443 5.992) 7.324 2.884 ( 2.425 3.443 5.992) 7.324 3.040 ( -1.543 -1.604 7.579) 7.899 3.040 ( -1.543 1.604 7.579) 7.899 3.225 ( 3.012 -1.689 1.403) 3.728 3.225 ( 3.012 1.689 1.403) 3.728 3.289 ( 4.673 -2.269 -0.982) 5.287 3.289 ( 4.673 2.269 -0.982) 5.287 3.408 ( -2.502 -4.655 4.285) 6.804 3.408 ( -2.502 4.655 4.285) 6.804 3.607 ( 0.444 -2.694 2.046) 3.412 3.607 ( 0.444 2.694 2.046) 3.412 3.716 ( 1.422 -2.012 0.707) 2.564 3.716 ( 1.422 2.012 0.707) 2.564 3.861 ( 0.057 -1.206 -4.921) 5.067 3.861 ( 0.057 1.206 -4.921) 5.067 3.974 ( 1.025 -1.653 -0.178) 1.953 3.974 ( 1.025 1.653 -0.178) 1.953 4.079 ( -2.041 -0.359 -3.350) 3.939 4.079 ( -2.041 0.359 -3.350) 3.939 4.268 ( 3.466 -3.933 -4.456) 6.880 4.268 ( 3.466 3.933 -4.456) 6.880 4.634 ( 0.937 -6.114 0.053) 6.185 4.634 ( 0.937 6.114 0.053) 6.185 4.704 ( 0.795 -4.475 -2.525) 5.199 4.704 ( 0.795 4.475 -2.525) 5.199 5.116 ( -1.239 -1.615 3.172) 3.769 5.116 ( -1.239 1.615 3.172) 3.769 5.292 ( -1.030 -0.177 3.613) 3.762 5.292 ( -1.030 0.177 3.613) 3.762 5.592 ( -3.721 -1.795 2.807) 4.995 5.592 ( -3.721 1.795 2.807) 4.995 5.914 ( 0.389 -2.227 1.359) 2.638 5.914 ( 0.389 2.227 1.359) 2.638 6.490 ( -1.844 -3.634 2.883) 4.992 6.490 ( -1.844 3.634 2.883) 4.992 6.623 ( 0.891 -5.975 -1.962) 6.352 6.623 ( 0.891 5.975 -1.962) 6.352 7.233 ( 1.763 -1.857 0.291) 2.577 7.233 ( 1.763 1.857 0.291) 2.577 7.454 ( -0.397 -1.363 -5.598) 5.775 7.454 ( -0.397 1.363 -5.598) 5.775 7.689 ( 3.634 -3.396 -11.739) 12.749 7.689 ( 3.634 3.396 -11.739) 12.749 7.862 ( -0.734 -0.773 -4.799) 4.916 7.862 ( -0.734 0.773 -4.799) 4.916 8.164 ( 0.902 -0.433 -1.090) 1.479 8.164 ( 0.902 0.433 -1.090) 1.479 8.316 ( 0.481 -1.424 -0.106) 1.507 8.316 ( 0.481 1.424 -0.106) 1.507 8.815 ( 1.279 -1.893 -1.278) 2.618 8.815 ( 1.279 1.893 -1.278) 2.618 9.143 ( -1.942 -5.551 -0.280) 5.888 9.143 ( -1.942 5.551 -0.280) 5.888 9.601 ( 0.581 -3.702 -0.659) 3.805 9.601 ( 0.581 3.702 -0.659) 3.805 10.080 ( -2.998 -4.367 0.133) 5.299 10.080 ( -2.998 4.367 0.133) 5.299 10.209 ( 1.059 -0.781 -1.423) 1.938 10.209 ( 1.059 0.781 -1.423) 1.938 10.338 ( -0.164 -2.354 1.054) 2.584 10.338 ( -0.164 2.354 1.054) 2.584 11.415 ( 0.571 -9.234 7.906) 12.169 11.415 ( 0.571 9.234 7.906) 12.169 11.697 ( -0.964 -0.514 -0.741) 1.321 11.697 ( -0.964 0.514 -0.741) 1.321 11.776 ( 1.136 -1.470 -6.375) 6.640 11.776 ( 1.136 1.470 -6.375) 6.640 11.939 ( 1.026 -1.218 -7.610) 7.775 11.939 ( 1.026 1.218 -7.610) 7.775 12.628 ( -0.450 -7.781 -3.713) 8.633 12.628 ( -0.450 7.781 -3.713) 8.633 12.942 ( 1.972 -4.190 2.820) 5.422 12.942 ( 1.972 4.190 2.820) 5.422 13.257 ( -1.484 -5.544 -1.492) 5.930 13.257 ( -1.484 5.544 -1.492) 5.930 13.397 ( 1.339 -1.778 -3.766) 4.374 13.397 ( 1.339 1.778 -3.766) 4.374 14.166 ( -0.710 -1.842 4.737) 5.132 14.166 ( -0.710 1.842 4.737) 5.132 14.426 ( -3.409 -3.775 2.004) 5.467 14.426 ( -3.409 3.775 2.004) 5.467 14.671 ( 0.504 -6.669 0.446) 6.703 14.671 ( 0.504 6.669 0.446) 6.703 14.811 ( 2.264 -3.563 2.759) 5.044 14.811 ( 2.264 3.563 2.759) 5.044 20.503 ( -0.581 -1.598 -0.101) 1.704 20.503 ( -0.581 1.598 -0.101) 1.704 20.813 ( 5.278 -1.282 0.127) 5.432 20.813 ( 5.278 1.282 0.127) 5.432 20.956 ( -1.757 -0.615 -4.735) 5.088 20.956 ( -1.757 0.615 -4.735) 5.088 21.108 ( -0.253 -0.985 -1.222) 1.589 21.108 ( -0.253 0.985 -1.222) 1.589 21.296 ( 0.520 -1.227 -1.008) 1.671 21.296 ( 0.520 1.227 -1.008) 1.671 21.667 ( -2.106 -2.689 -1.592) 3.768 21.667 ( -2.106 2.689 -1.592) 3.768 21.917 ( 2.544 -2.974 4.949) 6.309 21.917 ( 2.544 2.974 4.949) 6.309 22.328 ( -0.301 -1.768 -4.249) 4.612 22.328 ( -0.301 1.768 -4.249) 4.612 22.955 ( -1.675 -0.305 -1.822) 2.493 22.955 ( -1.675 0.305 -1.822) 2.493 23.053 ( 0.151 -1.103 2.233) 2.495 23.053 ( 0.151 1.103 2.233) 2.495 23.355 ( -1.253 -1.055 5.924) 6.146 23.355 ( -1.253 1.055 5.924) 6.146 23.444 ( -1.775 -2.429 3.971) 4.982 23.444 ( -1.775 2.429 3.971) 4.982 23.972 ( -2.121 -1.255 0.874) 2.615 23.972 ( -2.121 1.255 0.874) 2.615 24.103 ( 4.393 -4.221 2.746) 6.682 24.103 ( 4.393 4.221 2.746) 6.682 24.368 ( -1.806 -2.534 -3.574) 4.739 24.368 ( -1.806 2.534 -3.574) 4.739 24.594 ( -0.821 -4.747 0.040) 4.818 24.594 ( -0.821 4.747 0.040) 4.818 ======================= Grid point 89 (52/63) ======================= q-point: ( 0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 0.673 -5.599 4.199) 7.031 0.783 ( 0.672 5.599 4.199) 7.031 0.974 ( -2.654 -3.200 -0.538) 4.192 0.974 ( -2.654 3.200 -0.538) 4.192 1.055 ( 0.023 -0.655 6.263) 6.297 1.055 ( 0.023 0.655 6.263) 6.297 1.175 ( -1.721 -4.013 -0.069) 4.367 1.175 ( -1.721 4.013 -0.069) 4.367 1.225 ( 0.704 -3.816 -0.203) 3.886 1.225 ( 0.704 3.816 -0.203) 3.886 1.278 ( 0.096 -0.990 1.170) 1.535 1.278 ( 0.096 0.990 1.170) 1.535 1.337 ( 3.047 -3.419 3.066) 5.511 1.337 ( 3.047 3.419 3.066) 5.511 1.412 ( -1.486 -3.020 -1.277) 3.600 1.412 ( -1.486 3.020 -1.277) 3.600 1.605 ( -2.192 -2.383 -1.757) 3.684 1.605 ( -2.192 2.384 -1.757) 3.684 1.657 ( 0.234 -1.594 -3.711) 4.045 1.657 ( 0.234 1.594 -3.711) 4.045 1.755 ( -1.244 -4.335 3.394) 5.645 1.755 ( -1.244 4.335 3.394) 5.645 1.849 ( -1.744 -0.797 6.160) 6.451 1.849 ( -1.744 0.797 6.160) 6.451 1.928 ( -1.658 -2.635 -0.281) 3.126 1.928 ( -1.658 2.635 -0.281) 3.126 2.124 ( 0.245 -3.408 -2.229) 4.079 2.124 ( 0.245 3.408 -2.229) 4.079 2.249 ( 0.754 -2.114 2.524) 3.378 2.249 ( 0.754 2.114 2.524) 3.378 2.346 ( -0.934 -2.979 1.527) 3.475 2.346 ( -0.934 2.979 1.527) 3.475 2.490 ( -1.054 -8.980 3.734) 9.782 2.490 ( -1.054 8.980 3.734) 9.782 2.617 ( 2.022 -3.676 -3.356) 5.373 2.617 ( 2.022 3.676 -3.356) 5.373 2.821 ( 0.230 -2.391 5.831) 6.307 2.821 ( 0.230 2.391 5.831) 6.307 2.941 ( -0.281 -1.211 5.967) 6.095 2.941 ( -0.281 1.211 5.967) 6.095 3.030 ( -1.992 -1.886 12.269) 12.572 3.030 ( -1.992 1.886 12.269) 12.572 3.250 ( -0.701 -1.356 -5.339) 5.553 3.250 ( -0.701 1.356 -5.339) 5.553 3.324 ( -1.579 -1.924 4.819) 5.424 3.324 ( -1.579 1.924 4.819) 5.424 3.414 ( 1.430 -2.763 1.705) 3.548 3.414 ( 1.430 2.763 1.705) 3.548 3.641 ( 3.825 -1.874 1.296) 4.453 3.641 ( 3.825 1.874 1.296) 4.453 3.739 ( -0.826 -4.466 0.590) 4.580 3.739 ( -0.826 4.466 0.590) 4.580 3.824 ( -1.474 -2.950 -5.926) 6.782 3.824 ( -1.474 2.950 -5.926) 6.782 4.008 ( 0.381 -3.702 -0.585) 3.767 4.008 ( 0.381 3.702 -0.585) 3.767 4.064 ( 3.482 -1.061 -3.082) 4.769 4.064 ( 3.482 1.061 -3.082) 4.769 4.319 ( 2.368 -1.972 -3.617) 4.752 4.319 ( 2.368 1.972 -3.617) 4.752 4.650 ( 0.662 -5.471 0.263) 5.517 4.650 ( 0.662 5.471 0.263) 5.517 4.703 ( -0.848 -5.309 -2.221) 5.817 4.703 ( -0.848 5.309 -2.221) 5.817 5.134 ( 2.746 -4.389 2.691) 5.835 5.134 ( 2.746 4.389 2.691) 5.835 5.259 ( -3.293 -2.614 2.092) 4.696 5.259 ( -3.293 2.614 2.092) 4.696 5.519 ( -3.894 -2.200 4.183) 6.124 5.519 ( -3.894 2.200 4.183) 6.124 5.933 ( 0.804 -2.390 1.283) 2.829 5.933 ( 0.804 2.390 1.283) 2.829 6.474 ( -0.623 -4.595 3.689) 5.925 6.474 ( -0.623 4.595 3.689) 5.925 6.629 ( 0.442 -6.593 -2.878) 7.207 6.629 ( 0.442 6.593 -2.878) 7.207 7.280 ( 2.041 -1.791 1.700) 3.204 7.280 ( 2.041 1.791 1.700) 3.204 7.429 ( 0.416 -0.777 -7.876) 7.925 7.429 ( 0.416 0.777 -7.876) 7.925 7.721 ( 2.895 -4.335 -9.537) 10.869 7.721 ( 2.895 4.335 -9.537) 10.869 7.820 ( -1.152 -1.134 -6.269) 6.474 7.820 ( -1.152 1.134 -6.269) 6.474 8.170 ( 0.032 -0.078 -1.164) 1.167 8.170 ( 0.032 0.078 -1.164) 1.167 8.333 ( 0.951 -1.756 0.367) 2.030 8.333 ( 0.951 1.756 0.367) 2.030 8.836 ( 1.085 -1.143 -1.978) 2.529 8.836 ( 1.085 1.143 -1.978) 2.529 9.107 ( -1.053 -5.947 -0.304) 6.047 9.107 ( -1.053 5.947 -0.304) 6.047 9.611 ( 0.523 -3.063 -0.841) 3.219 9.611 ( 0.523 3.063 -0.841) 3.219 10.010 ( -3.355 -4.703 1.669) 6.013 10.010 ( -3.355 4.703 1.669) 6.013 10.224 ( 0.733 -1.265 -1.408) 2.030 10.224 ( 0.733 1.265 -1.408) 2.030 10.344 ( 0.477 -1.970 -0.180) 2.035 10.344 ( 0.477 1.970 -0.180) 2.035 11.428 ( -2.175 -7.938 8.052) 11.514 11.428 ( -2.175 7.938 8.052) 11.514 11.669 ( -0.548 -1.516 -2.036) 2.597 11.669 ( -0.548 1.516 -2.036) 2.597 11.807 ( 3.393 -2.955 -6.735) 8.099 11.807 ( 3.393 2.955 -6.735) 8.099 11.938 ( 1.293 -0.579 -6.199) 6.358 11.938 ( 1.293 0.579 -6.199) 6.358 12.626 ( 0.847 -7.179 -0.114) 7.230 12.626 ( 0.847 7.179 -0.114) 7.230 12.963 ( -0.224 -4.096 -2.656) 4.887 12.963 ( -0.224 4.096 -2.656) 4.887 13.226 ( -1.174 -4.818 1.226) 5.108 13.226 ( -1.174 4.818 1.226) 5.108 13.414 ( 1.559 -0.706 -4.124) 4.465 13.414 ( 1.559 0.706 -4.124) 4.465 14.177 ( 0.252 -3.055 4.318) 5.296 14.177 ( 0.252 3.055 4.318) 5.296 14.363 ( -3.167 -3.856 2.150) 5.433 14.363 ( -3.167 3.856 2.150) 5.433 14.675 ( -0.013 -5.917 0.037) 5.917 14.675 ( -0.013 5.917 0.037) 5.917 14.865 ( 1.466 -3.077 2.898) 4.474 14.865 ( 1.466 3.077 2.898) 4.474 20.516 ( 1.628 -1.717 0.746) 2.481 20.516 ( 1.628 1.717 0.746) 2.481 20.870 ( -2.823 -1.126 -3.234) 4.438 20.870 ( -2.823 1.126 -3.234) 4.438 20.948 ( 5.244 -1.339 -1.073) 5.517 20.948 ( 5.244 1.339 -1.073) 5.517 21.104 ( 0.091 -0.626 -0.570) 0.851 21.104 ( 0.091 0.626 -0.570) 0.851 21.295 ( 0.054 -2.254 -2.365) 3.268 21.295 ( 0.054 2.254 -2.365) 3.268 21.624 ( -1.334 -3.226 -2.152) 4.101 21.624 ( -1.334 3.226 -2.152) 4.101 21.985 ( 1.961 -1.657 5.390) 5.970 21.985 ( 1.961 1.657 5.390) 5.970 22.285 ( -2.264 -1.722 -3.719) 4.682 22.285 ( -2.264 1.722 -3.719) 4.682 22.922 ( -0.815 -1.262 -2.076) 2.563 22.922 ( -0.815 1.262 -2.076) 2.563 23.059 ( -0.019 -0.174 1.521) 1.531 23.059 ( -0.019 0.174 1.521) 1.531 23.354 ( -1.023 -1.114 6.285) 6.465 23.354 ( -1.023 1.114 6.285) 6.465 23.415 ( -2.091 -2.437 4.403) 5.450 23.415 ( -2.091 2.437 4.403) 5.450 23.942 ( -1.061 -0.884 0.067) 1.382 23.942 ( -1.061 0.884 0.067) 1.382 24.185 ( 1.646 -5.293 3.647) 6.635 24.185 ( 1.646 5.293 3.647) 6.635 24.337 ( 0.646 -4.277 -2.734) 5.117 24.337 ( 0.646 4.277 -2.734) 5.117 24.578 ( -0.531 -4.179 -0.828) 4.293 24.578 ( -0.531 4.179 -0.828) 4.293 ======================= Grid point 91 (53/63) ======================= q-point: (-0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.881 -8.287 3.859) 9.183 0.805 ( -0.881 8.287 3.859) 9.183 0.916 ( -2.112 -0.628 3.556) 4.183 0.916 ( -2.112 0.628 3.556) 4.183 1.068 ( -2.061 -8.313 0.194) 8.567 1.068 ( -2.061 8.313 0.194) 8.567 1.139 ( 0.166 -1.345 1.327) 1.897 1.139 ( 0.166 1.345 1.327) 1.897 1.224 ( -0.838 -1.973 1.318) 2.516 1.224 ( -0.838 1.973 1.318) 2.516 1.328 ( 3.299 -0.810 0.310) 3.411 1.328 ( 3.299 0.810 0.310) 3.411 1.382 ( 1.182 -2.220 -1.200) 2.787 1.382 ( 1.182 2.220 -1.200) 2.787 1.446 ( 3.968 -1.681 3.594) 5.611 1.446 ( 3.968 1.681 3.594) 5.611 1.561 ( -2.420 -1.332 -1.008) 2.940 1.561 ( -2.420 1.332 -1.008) 2.940 1.621 ( 0.063 -3.347 -6.076) 6.937 1.621 ( 0.063 3.347 -6.076) 6.937 1.757 ( -0.482 -3.721 3.961) 5.456 1.757 ( -0.482 3.721 3.961) 5.456 1.834 ( -0.616 -0.238 5.563) 5.602 1.834 ( -0.616 0.238 5.563) 5.602 1.903 ( -1.381 -0.892 2.283) 2.813 1.903 ( -1.381 0.892 2.283) 2.813 2.110 ( -1.055 -2.298 -1.750) 3.075 2.110 ( -1.055 2.298 -1.750) 3.075 2.266 ( -0.616 -2.395 2.860) 3.781 2.266 ( -0.616 2.395 2.860) 3.781 2.342 ( 0.341 -0.894 1.941) 2.165 2.342 ( 0.341 0.894 1.941) 2.165 2.485 ( -0.560 -7.458 2.402) 7.856 2.485 ( -0.560 7.458 2.402) 7.856 2.648 ( 2.355 -2.995 -4.625) 5.992 2.648 ( 2.355 2.995 -4.625) 5.992 2.855 ( 0.608 -1.729 6.781) 7.025 2.855 ( 0.608 1.729 6.781) 7.025 2.917 ( -2.850 -1.996 5.312) 6.350 2.917 ( -2.850 1.996 5.312) 6.350 3.033 ( -3.249 -0.937 15.987) 16.341 3.033 ( -3.249 0.937 15.987) 16.341 3.174 ( -3.845 -2.453 -3.485) 5.740 3.174 ( -3.845 2.453 -3.485) 5.740 3.320 ( -1.186 -1.043 4.820) 5.072 3.320 ( -1.186 1.043 4.820) 5.072 3.425 ( -0.215 -1.636 -1.408) 2.169 3.425 ( -0.215 1.636 -1.408) 2.169 3.658 ( -5.355 -4.822 -0.631) 7.234 3.658 ( -5.355 4.822 -0.631) 7.234 3.744 ( 4.356 -4.791 0.818) 6.527 3.744 ( 4.356 4.791 0.818) 6.527 3.801 ( 0.544 -4.046 -4.471) 6.054 3.801 ( 0.544 4.046 -4.471) 6.054 4.004 ( 0.219 -3.910 -1.759) 4.293 4.004 ( 0.219 3.910 -1.759) 4.293 4.138 ( 3.536 -3.233 -3.931) 6.197 4.138 ( 3.536 3.233 -3.931) 6.197 4.317 ( -1.435 -3.753 -3.951) 5.635 4.317 ( -1.435 3.753 -3.951) 5.635 4.650 ( -2.067 -2.677 0.144) 3.385 4.650 ( -2.067 2.677 0.144) 3.385 4.678 ( 1.109 -1.909 -0.788) 2.344 4.678 ( 1.109 1.909 -0.788) 2.344 5.175 ( -3.041 -3.713 1.585) 5.054 5.175 ( -3.041 3.713 1.585) 5.054 5.241 ( 3.816 -3.801 1.652) 5.634 5.241 ( 3.816 3.801 1.652) 5.634 5.492 ( -0.107 -0.837 5.709) 5.771 5.492 ( -0.107 0.837 5.709) 5.771 5.945 ( -0.040 -2.277 0.930) 2.460 5.945 ( -0.040 2.277 0.930) 2.460 6.489 ( 0.626 -5.892 3.867) 7.075 6.489 ( 0.626 5.892 3.867) 7.075 6.622 ( -0.033 -6.825 -3.403) 7.626 6.622 ( -0.033 6.825 -3.403) 7.626 7.296 ( -1.358 -3.613 1.464) 4.128 7.296 ( -1.358 3.613 1.464) 4.128 7.434 ( 2.941 -2.423 -8.248) 9.086 7.434 ( 2.941 2.423 -8.248) 9.086 7.716 ( -0.298 -0.050 -9.683) 9.687 7.716 ( -0.298 0.050 -9.683) 9.687 7.808 ( 2.365 -2.125 -5.827) 6.637 7.808 ( 2.365 2.125 -5.827) 6.637 8.158 ( -0.822 -0.350 -0.725) 1.150 8.158 ( -0.822 0.350 -0.725) 1.150 8.347 ( 0.245 -3.070 0.010) 3.080 8.347 ( 0.245 3.070 0.010) 3.080 8.832 ( -0.798 -0.967 -1.774) 2.172 8.832 ( -0.798 0.967 -1.774) 2.172 9.115 ( 1.905 -6.730 -0.731) 7.033 9.115 ( 1.905 6.730 -0.731) 7.033 9.610 ( -0.314 -4.183 -0.819) 4.274 9.610 ( -0.314 4.183 -0.819) 4.274 9.986 ( 0.441 -2.749 2.582) 3.797 9.986 ( 0.441 2.749 2.582) 3.797 10.226 ( -0.114 -1.607 -1.169) 1.990 10.226 ( -0.114 1.607 -1.169) 1.990 10.352 ( 0.522 -1.197 -0.703) 1.483 10.352 ( 0.522 1.197 -0.703) 1.483 11.392 ( -3.620 -7.481 8.352) 11.783 11.392 ( -3.620 7.481 8.352) 11.783 11.669 ( 1.082 -2.781 -2.417) 3.840 11.669 ( 1.082 2.781 -2.417) 3.840 11.839 ( 1.949 -1.852 -7.510) 7.977 11.839 ( 1.949 1.852 -7.510) 7.977 11.949 ( 1.810 -1.596 -6.376) 6.817 11.949 ( 1.810 1.596 -6.376) 6.817 12.659 ( 1.769 -5.442 3.076) 6.497 12.659 ( 1.769 5.442 3.076) 6.497 12.915 ( -2.517 -1.893 -7.081) 7.749 12.915 ( -2.517 1.893 -7.081) 7.749 13.229 ( 0.491 -2.895 3.907) 4.887 13.229 ( 0.491 2.895 3.907) 4.887 13.424 ( 0.869 -0.602 -4.983) 5.094 13.424 ( 0.869 0.602 -4.983) 5.094 14.194 ( -0.391 -1.027 3.268) 3.448 14.194 ( -0.391 1.027 3.268) 3.448 14.340 ( 0.488 -2.108 3.832) 4.401 14.340 ( 0.488 2.108 3.832) 4.401 14.668 ( -0.820 -1.450 0.050) 1.666 14.668 ( -0.820 1.450 0.050) 1.666 14.877 ( -1.139 -1.140 2.352) 2.851 14.877 ( -1.139 1.140 2.352) 2.851 20.551 ( 1.035 -1.011 0.169) 1.456 20.551 ( 1.035 1.011 0.169) 1.456 20.818 ( -0.290 -0.840 -3.035) 3.162 20.818 ( -0.290 0.840 -3.035) 3.162 20.981 ( -2.393 -1.402 -1.518) 3.162 20.981 ( -2.393 1.402 -1.518) 3.162 21.131 ( 2.544 -1.074 -0.600) 2.826 21.131 ( 2.544 1.074 -0.600) 2.826 21.287 ( 0.051 -3.439 -2.864) 4.476 21.287 ( 0.051 3.439 -2.864) 4.476 21.613 ( 1.231 -3.308 -2.146) 4.130 21.613 ( 1.231 3.308 -2.146) 4.130 22.008 ( -1.935 -1.268 4.643) 5.187 22.008 ( -1.935 1.268 4.643) 5.187 22.244 ( -0.072 -2.031 -1.752) 2.683 22.244 ( -0.072 2.031 -1.752) 2.683 22.913 ( 0.690 -2.047 -1.510) 2.636 22.913 ( 0.690 2.047 -1.510) 2.636 23.067 ( 0.299 -1.136 0.775) 1.407 23.067 ( 0.299 1.136 0.775) 1.407 23.351 ( -1.265 -1.289 6.496) 6.742 23.351 ( -1.265 1.289 6.496) 6.742 23.407 ( -0.330 -3.515 4.971) 6.097 23.407 ( -0.330 3.515 4.971) 6.097 23.931 ( 0.044 -1.114 0.270) 1.147 23.931 ( 0.044 1.114 0.270) 1.147 24.176 ( -3.025 -4.451 3.391) 6.361 24.176 ( -3.025 4.451 3.391) 6.361 24.377 ( 3.389 -6.405 -3.921) 8.239 24.377 ( 3.389 6.405 -3.921) 8.239 24.575 ( 0.589 -1.362 -0.532) 1.577 24.575 ( 0.589 1.362 -0.532) 1.577 ======================= Grid point 93 (54/63) ======================= q-point: (-0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -0.798 -9.585 4.012) 10.421 0.790 ( -0.798 9.585 4.012) 10.421 0.894 ( -2.288 -5.830 6.969) 9.370 0.894 ( -2.288 5.830 6.969) 9.370 1.040 ( 0.597 -6.090 -2.919) 6.780 1.040 ( 0.597 6.090 -2.919) 6.780 1.167 ( 0.397 -1.669 4.567) 4.878 1.167 ( 0.397 1.669 4.567) 4.878 1.209 ( -0.672 -0.422 1.283) 1.509 1.209 ( -0.672 0.422 1.283) 1.509 1.363 ( 1.635 -3.041 -3.434) 4.870 1.363 ( 1.635 3.041 -3.434) 4.870 1.418 ( 0.202 -3.210 -1.459) 3.532 1.418 ( 0.202 3.210 -1.459) 3.532 1.452 ( -2.722 -3.591 1.236) 4.672 1.452 ( -2.722 3.591 1.236) 4.672 1.550 ( 1.997 -2.287 1.159) 3.250 1.550 ( 1.997 2.287 1.159) 3.250 1.675 ( 4.196 -0.960 -0.105) 4.306 1.675 ( 4.196 0.960 -0.105) 4.306 1.745 ( -1.176 -1.635 4.091) 4.560 1.745 ( -1.176 1.635 4.091) 4.560 1.846 ( -1.603 -3.168 4.634) 5.838 1.846 ( -1.603 3.168 4.634) 5.838 1.914 ( 2.730 -1.930 0.917) 3.467 1.914 ( 2.730 1.930 0.917) 3.467 2.079 ( -0.767 -0.939 -2.551) 2.824 2.079 ( -0.767 0.939 -2.551) 2.824 2.254 ( -1.166 -2.572 3.462) 4.467 2.254 ( -1.166 2.572 3.462) 4.467 2.356 ( 0.366 -2.742 -0.026) 2.767 2.356 ( 0.366 2.742 -0.026) 2.767 2.487 ( 0.094 -9.859 2.748) 10.236 2.487 ( 0.094 9.859 2.748) 10.236 2.672 ( 1.066 -2.756 -3.774) 4.793 2.672 ( 1.066 2.756 -3.774) 4.793 2.853 ( -3.097 -5.102 6.270) 8.656 2.853 ( -3.097 5.102 6.270) 8.656 2.896 ( -1.923 -3.002 6.635) 7.532 2.896 ( -1.923 3.002 6.635) 7.532 3.013 ( -2.737 -3.371 13.123) 13.823 3.013 ( -2.737 3.371 13.123) 13.823 3.109 ( -0.918 -4.297 -3.230) 5.454 3.109 ( -0.918 4.297 -3.230) 5.454 3.298 ( -3.672 -2.003 8.749) 9.697 3.298 ( -3.672 2.003 8.749) 9.697 3.403 ( 0.218 -0.944 -4.153) 4.265 3.403 ( 0.218 0.944 -4.153) 4.265 3.583 ( -2.083 -3.680 1.890) 4.632 3.583 ( -2.083 3.680 1.890) 4.632 3.769 ( -1.117 -3.316 -2.134) 4.099 3.769 ( -1.117 3.316 -2.134) 4.099 3.828 ( 2.446 -3.476 -2.264) 4.816 3.828 ( 2.446 3.476 -2.264) 4.816 4.002 ( -0.250 -3.922 -0.918) 4.036 4.002 ( -0.250 3.922 -0.918) 4.036 4.161 ( 0.468 -4.545 -4.761) 6.599 4.161 ( 0.468 4.545 -4.761) 6.599 4.256 ( -2.101 -4.099 -5.126) 6.891 4.256 ( -2.101 4.099 -5.126) 6.891 4.618 ( -0.886 -3.207 0.496) 3.364 4.618 ( -0.886 3.207 0.496) 3.364 4.703 ( 1.072 -2.798 -1.575) 3.385 4.703 ( 1.072 2.798 -1.575) 3.385 5.133 ( -1.175 -2.217 2.048) 3.239 5.133 ( -1.175 2.217 2.048) 3.239 5.292 ( 0.049 -1.573 3.509) 3.846 5.292 ( 0.049 1.573 3.509) 3.846 5.552 ( 3.537 -3.577 4.548) 6.781 5.552 ( 3.537 3.577 4.548) 6.781 5.937 ( -1.039 -2.033 0.687) 2.384 5.937 ( -1.039 2.033 0.687) 2.384 6.514 ( 0.405 -5.881 3.224) 6.719 6.514 ( 0.405 5.881 3.224) 6.719 6.610 ( 0.102 -6.656 -2.880) 7.253 6.610 ( 0.102 6.656 -2.880) 7.253 7.254 ( -2.323 -4.264 -0.392) 4.871 7.254 ( -2.323 4.264 -0.392) 4.871 7.468 ( 2.253 -3.569 -5.718) 7.107 7.468 ( 2.253 3.569 -5.718) 7.107 7.676 ( 0.412 -2.010 -11.886) 12.062 7.676 ( 0.412 2.010 -11.886) 12.062 7.847 ( 2.727 -2.429 -4.409) 5.725 7.847 ( 2.727 2.429 -4.409) 5.725 8.142 ( -0.328 -0.553 -0.367) 0.740 8.142 ( -0.328 0.553 -0.367) 0.740 8.340 ( -0.764 -3.496 -0.640) 3.635 8.340 ( -0.764 3.496 -0.640) 3.635 8.809 ( -0.746 -1.070 -0.986) 1.635 8.809 ( -0.746 1.070 -0.986) 1.635 9.155 ( 1.848 -6.227 -0.911) 6.559 9.155 ( 1.848 6.227 -0.911) 6.559 9.599 ( -0.399 -4.611 -0.498) 4.655 9.599 ( -0.399 4.611 -0.498) 4.655 10.035 ( 3.157 -1.636 1.698) 3.940 10.035 ( 3.157 1.636 1.698) 3.940 10.215 ( -0.540 -1.562 -0.849) 1.858 10.215 ( -0.540 1.562 -0.849) 1.858 10.356 ( -0.104 -1.077 -0.174) 1.096 10.356 ( -0.104 1.077 -0.174) 1.096 11.360 ( -2.059 -8.253 8.495) 12.021 11.360 ( -2.059 8.253 8.495) 12.021 11.686 ( 1.151 -2.221 -1.974) 3.187 11.686 ( 1.151 2.221 -1.974) 3.187 11.836 ( 0.272 -2.047 -6.882) 7.185 11.836 ( 0.272 2.047 -6.882) 7.185 11.956 ( 1.182 -1.659 -8.104) 8.356 11.956 ( 1.182 1.659 -8.104) 8.356 12.696 ( 0.346 -3.914 0.445) 3.955 12.696 ( 0.346 3.914 0.445) 3.955 12.853 ( -0.673 -5.079 -3.058) 5.967 12.853 ( -0.673 5.079 -3.058) 5.967 13.259 ( 1.042 -3.812 2.853) 4.874 13.259 ( 1.042 3.812 2.853) 4.874 13.414 ( -0.091 -1.660 -5.503) 5.748 13.414 ( -0.091 1.660 -5.503) 5.748 14.183 ( -1.414 -1.331 3.521) 4.021 14.183 ( -1.414 1.331 3.521) 4.021 14.405 ( 3.733 -3.113 4.496) 6.621 14.405 ( 3.733 3.113 4.496) 6.621 14.643 ( -1.539 -4.265 0.511) 4.563 14.643 ( -1.539 4.265 0.511) 4.563 14.842 ( -2.753 -2.533 1.595) 4.067 14.842 ( -2.753 2.533 1.595) 4.067 20.550 ( -0.579 -0.379 -1.199) 1.384 20.550 ( -0.579 0.379 -1.199) 1.384 20.815 ( -1.789 -2.392 -1.470) 3.329 20.815 ( -1.789 2.392 -1.470) 3.329 20.920 ( 0.143 -1.999 -2.810) 3.452 20.920 ( 0.143 1.999 -2.810) 3.452 21.158 ( 0.356 -0.346 -2.382) 2.433 21.158 ( 0.356 0.346 -2.382) 2.433 21.280 ( 0.031 -3.354 -1.164) 3.550 21.280 ( 0.031 3.354 -1.164) 3.550 21.655 ( 3.088 -4.385 -1.528) 5.577 21.655 ( 3.088 4.385 -1.528) 5.577 21.945 ( -4.911 -2.553 3.744) 6.682 21.945 ( -4.911 2.553 3.744) 6.682 22.274 ( 2.837 -1.851 -1.162) 3.581 22.274 ( 2.837 1.851 -1.162) 3.581 22.941 ( 2.252 -1.674 -0.835) 2.927 22.941 ( 2.252 1.674 -0.835) 2.927 23.067 ( -0.724 -1.700 0.795) 2.011 23.067 ( -0.724 1.700 0.795) 2.011 23.355 ( -0.638 -0.887 6.540) 6.631 23.355 ( -0.638 0.887 6.540) 6.631 23.425 ( 0.344 -4.072 4.772) 6.283 23.425 ( 0.344 4.072 4.772) 6.283 23.950 ( 1.592 -1.760 1.250) 2.682 23.950 ( 1.592 1.760 1.250) 2.682 24.110 ( -4.199 -3.576 2.392) 6.012 24.110 ( -4.199 3.576 2.392) 6.012 24.414 ( 1.744 -6.539 -5.709) 8.854 24.414 ( 1.744 6.539 -5.709) 8.854 24.594 ( 0.971 -0.288 0.505) 1.132 24.594 ( 0.971 0.288 0.505) 1.132 ======================= Grid point 100 (55/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -1.736 0.000 -2.229) 2.825 0.943 ( 1.736 0.000 2.229) 2.825 1.016 ( -5.142 0.000 -0.042) 5.142 1.016 ( 5.142 0.000 0.042) 5.142 1.066 ( -0.366 0.000 -1.406) 1.452 1.066 ( 0.366 0.000 1.406) 1.452 1.189 ( -0.020 0.000 -2.721) 2.721 1.189 ( 0.020 0.000 2.721) 2.721 1.284 ( -2.937 0.000 0.957) 3.089 1.284 ( 2.937 0.000 -0.957) 3.089 1.377 ( -0.360 0.000 -0.955) 1.020 1.377 ( 0.360 0.000 0.955) 1.020 1.447 ( 0.930 0.000 -2.094) 2.292 1.447 ( -0.930 0.000 2.094) 2.292 1.477 ( -2.390 0.000 0.421) 2.427 1.477 ( 2.390 0.000 -0.421) 2.427 1.620 ( -0.249 0.000 -0.434) 0.500 1.620 ( 0.249 0.000 0.434) 0.500 1.683 ( -1.310 0.000 -0.471) 1.392 1.683 ( 1.310 0.000 0.471) 1.392 1.751 ( 1.784 0.000 -3.134) 3.607 1.751 ( -1.784 0.000 3.134) 3.607 1.835 ( -2.986 0.000 -2.843) 4.123 1.835 ( 2.986 0.000 2.843) 4.123 1.851 ( 4.499 0.000 -4.672) 6.485 1.851 ( -4.499 0.000 4.672) 6.485 2.037 ( 1.774 0.000 -1.550) 2.356 2.037 ( -1.774 0.000 1.550) 2.356 2.162 ( 0.604 0.000 -3.830) 3.877 2.162 ( -0.604 0.000 3.830) 3.877 2.278 ( -2.171 0.000 -3.711) 4.300 2.278 ( 2.171 0.000 3.711) 4.300 2.470 ( -4.967 0.000 -3.768) 6.234 2.470 ( 4.967 0.000 3.768) 6.234 2.727 ( -0.845 0.000 -5.463) 5.528 2.727 ( 0.845 0.000 5.463) 5.528 2.844 ( -2.782 0.000 -0.789) 2.892 2.844 ( 2.782 0.000 0.789) 2.892 2.988 ( -3.600 0.000 -2.650) 4.471 2.988 ( 3.600 0.000 2.650) 4.471 3.057 ( 4.266 0.000 -2.782) 5.093 3.057 ( -4.266 0.000 2.782) 5.093 3.269 ( 1.046 0.000 -2.170) 2.409 3.269 ( -1.046 0.000 2.170) 2.409 3.307 ( -1.010 0.000 -8.194) 8.256 3.307 ( 1.010 0.000 8.194) 8.256 3.407 ( 0.974 0.000 -1.997) 2.222 3.407 ( -0.974 0.000 1.997) 2.222 3.477 ( 1.315 0.000 -5.053) 5.222 3.477 ( -1.315 0.000 5.053) 5.222 3.765 ( -5.821 0.000 -10.381) 11.902 3.765 ( 5.821 0.000 10.381) 11.902 3.953 ( 4.364 0.000 -3.271) 5.454 3.953 ( -4.364 0.000 3.271) 5.454 3.982 ( -2.141 0.000 -0.949) 2.342 3.982 ( 2.141 0.000 0.949) 2.342 4.157 ( 0.650 0.000 -1.935) 2.041 4.157 ( -0.650 0.000 1.935) 2.041 4.196 ( -2.298 0.000 0.756) 2.419 4.196 ( 2.298 0.000 -0.756) 2.419 4.436 ( 1.880 0.000 -1.055) 2.156 4.436 ( -1.880 0.000 1.055) 2.156 4.886 ( 0.607 0.000 -2.606) 2.675 4.886 ( -0.607 0.000 2.606) 2.675 5.215 ( -1.994 0.000 -2.532) 3.223 5.215 ( 1.994 0.000 2.532) 3.223 5.294 ( -3.205 0.000 0.392) 3.228 5.294 ( 3.205 0.000 -0.392) 3.228 5.546 ( 1.298 0.000 -0.748) 1.498 5.546 ( -1.298 0.000 0.748) 1.498 5.923 ( 0.790 0.000 -2.256) 2.391 5.923 ( -0.790 0.000 2.256) 2.391 6.352 ( 1.184 0.000 -0.590) 1.323 6.352 ( -1.184 0.000 0.590) 1.323 6.688 ( 0.409 0.000 -2.134) 2.173 6.688 ( -0.409 0.000 2.134) 2.173 7.207 ( -0.932 0.000 -3.085) 3.223 7.207 ( 0.932 0.000 3.085) 3.223 7.363 ( -2.911 0.000 -2.458) 3.810 7.363 ( 2.911 0.000 2.458) 3.810 7.633 ( -4.991 0.000 -1.310) 5.160 7.633 ( 4.991 0.000 1.310) 5.160 7.821 ( -0.859 0.000 -3.460) 3.565 7.821 ( 0.859 0.000 3.460) 3.565 8.141 ( 0.604 0.000 -1.014) 1.180 8.141 ( -0.604 0.000 1.014) 1.180 8.344 ( -1.577 0.000 -3.706) 4.027 8.344 ( 1.577 0.000 3.706) 4.027 8.819 ( 3.890 0.000 -1.783) 4.279 8.819 ( -3.890 0.000 1.783) 4.279 8.936 ( -0.401 0.000 -6.210) 6.223 8.936 ( 0.401 0.000 6.210) 6.223 9.749 ( -1.747 0.000 -1.156) 2.095 9.749 ( 1.747 0.000 1.156) 2.095 10.101 ( -0.827 0.000 -2.393) 2.532 10.101 ( 0.827 0.000 2.393) 2.532 10.208 ( 0.151 0.000 -2.169) 2.174 10.208 ( -0.151 0.000 2.169) 2.174 10.371 ( 0.425 0.000 -1.521) 1.580 10.371 ( -0.425 0.000 1.521) 1.580 11.434 ( 1.922 0.000 -14.393) 14.520 11.434 ( -1.922 0.000 14.393) 14.520 11.622 ( -1.879 0.000 -1.618) 2.480 11.622 ( 1.879 0.000 1.618) 2.480 11.789 ( -3.031 0.000 -2.230) 3.763 11.789 ( 3.031 0.000 2.230) 3.763 11.858 ( 2.501 0.000 -2.937) 3.858 11.858 ( -2.501 0.000 2.937) 3.858 12.533 ( 0.983 0.000 -10.769) 10.814 12.533 ( -0.983 0.000 10.769) 10.814 12.923 ( -3.165 0.000 -3.264) 4.547 12.923 ( 3.165 0.000 3.264) 4.547 13.296 ( -4.125 0.000 -6.378) 7.596 13.296 ( 4.125 0.000 6.378) 7.596 13.662 ( 1.439 0.000 -4.081) 4.327 13.662 ( -1.439 0.000 4.081) 4.327 14.175 ( 0.683 0.000 -3.472) 3.538 14.175 ( -0.683 0.000 3.472) 3.538 14.287 ( 0.001 0.000 -2.018) 2.018 14.287 ( -0.001 0.000 2.018) 2.018 14.677 ( -4.142 0.000 -3.595) 5.485 14.677 ( 4.142 0.000 3.595) 5.485 14.822 ( -3.179 0.000 -0.182) 3.184 14.822 ( 3.179 0.000 0.182) 3.184 20.505 ( 1.809 0.000 -1.450) 2.319 20.505 ( -1.809 0.000 1.450) 2.319 20.762 ( -2.044 0.000 -3.805) 4.319 20.762 ( 2.044 0.000 3.805) 4.319 20.951 ( -0.237 0.000 -1.142) 1.166 20.951 ( 0.237 0.000 1.142) 1.166 21.157 ( 0.441 0.000 -0.615) 0.756 21.157 ( -0.441 0.000 0.615) 0.756 21.185 ( 1.169 0.000 -3.115) 3.327 21.185 ( -1.169 0.000 3.115) 3.327 21.682 ( -1.862 0.000 -2.580) 3.182 21.682 ( 1.862 0.000 2.580) 3.182 21.989 ( 1.956 0.000 -6.618) 6.901 21.989 ( -1.956 0.000 6.618) 6.901 22.253 ( 1.532 0.000 -6.347) 6.530 22.253 ( -1.532 0.000 6.347) 6.530 22.928 ( 0.610 0.000 -0.482) 0.778 22.928 ( -0.610 0.000 0.482) 0.778 23.102 ( -0.358 0.000 -1.138) 1.193 23.102 ( 0.358 0.000 1.138) 1.193 23.376 ( -0.088 0.000 -0.610) 0.617 23.376 ( 0.088 0.000 0.610) 0.617 23.543 ( -0.859 0.000 -4.170) 4.258 23.543 ( 0.859 0.000 4.170) 4.258 23.965 ( -1.197 0.000 -0.161) 1.208 23.965 ( 1.197 0.000 0.161) 1.208 24.124 ( 1.781 0.000 -4.426) 4.770 24.124 ( -1.781 0.000 4.426) 4.770 24.295 ( -1.851 0.000 -7.011) 7.251 24.295 ( 1.851 0.000 7.011) 7.251 24.641 ( 3.188 0.000 -3.562) 4.781 24.641 ( -3.188 0.000 3.562) 4.781 ======================= Grid point 102 (56/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -4.184 0.000 -13.415) 14.052 0.927 ( -3.668 0.000 -1.347) 3.907 0.972 ( -0.709 0.000 4.611) 4.665 1.002 ( -3.851 0.000 -1.038) 3.988 1.015 ( -1.031 0.000 -7.052) 7.127 1.119 ( 2.805 0.000 2.345) 3.656 1.198 ( -1.340 0.000 1.798) 2.242 1.227 ( 2.126 0.000 1.879) 2.838 1.238 ( -0.051 0.000 -0.023) 0.056 1.289 ( -1.017 0.000 -0.482) 1.125 1.354 ( -3.379 0.000 -2.206) 4.035 1.362 ( -3.172 0.000 -0.881) 3.292 1.403 ( -1.206 0.000 0.469) 1.293 1.408 ( -2.620 0.000 6.541) 7.046 1.455 ( -1.083 0.000 -0.828) 1.364 1.550 ( 3.359 0.000 3.045) 4.533 1.595 ( -2.255 0.000 2.108) 3.087 1.627 ( 0.980 0.000 -0.557) 1.128 1.685 ( -4.180 0.000 -2.543) 4.893 1.708 ( -1.723 0.000 5.414) 5.682 1.720 ( 0.364 0.000 5.376) 5.389 1.741 ( 1.741 0.000 -2.532) 3.073 1.774 ( 1.061 0.000 -4.517) 4.640 1.869 ( 1.619 0.000 0.797) 1.805 1.880 ( 4.487 0.000 -1.348) 4.685 1.962 ( 4.210 0.000 -5.068) 6.588 1.987 ( -2.375 0.000 1.309) 2.712 2.012 ( -1.116 0.000 -2.644) 2.870 2.186 ( 0.456 0.000 5.527) 5.545 2.195 ( 2.257 0.000 -3.283) 3.984 2.225 ( -1.673 0.000 -4.393) 4.701 2.329 ( 0.294 0.000 -2.733) 2.749 2.421 ( 2.713 0.000 4.198) 4.998 2.586 ( 4.634 0.000 2.222) 5.139 2.713 ( -2.243 0.000 2.352) 3.250 2.716 ( 1.732 0.000 -5.458) 5.727 2.876 ( -2.817 0.000 -4.167) 5.029 2.922 ( 7.610 0.000 4.903) 9.053 2.978 ( 6.230 0.000 3.808) 7.301 3.019 ( -1.299 0.000 3.741) 3.960 3.049 ( 0.832 0.000 4.392) 4.470 3.189 ( 6.029 0.000 -9.753) 11.466 3.230 ( -1.924 0.000 2.041) 2.805 3.265 ( -1.286 0.000 1.514) 1.986 3.296 ( 3.437 0.000 0.891) 3.551 3.322 ( -2.374 0.000 6.846) 7.246 3.346 ( -4.356 0.000 -0.539) 4.390 3.412 ( 1.241 0.000 -1.572) 2.003 3.476 ( -0.571 0.000 0.352) 0.671 3.521 ( 4.951 0.000 -9.606) 10.807 3.623 ( -4.657 0.000 -8.625) 9.802 3.873 ( -0.483 0.000 4.472) 4.498 3.876 ( -5.268 0.000 -2.407) 5.792 3.906 ( 0.568 0.000 6.655) 6.679 3.971 ( -2.600 0.000 -1.908) 3.225 4.032 ( 2.624 0.000 -5.444) 6.043 4.160 ( 0.227 0.000 1.431) 1.449 4.168 ( 0.847 0.000 2.030) 2.199 4.205 ( 2.548 0.000 1.499) 2.956 4.253 ( 2.005 0.000 4.835) 5.234 4.419 ( 0.165 0.000 0.580) 0.603 4.473 ( 1.537 0.000 0.284) 1.563 4.845 ( -3.030 0.000 -1.902) 3.577 4.846 ( -3.048 0.000 0.653) 3.117 5.167 ( -1.865 0.000 -4.318) 4.704 5.205 ( -4.560 0.000 0.500) 4.588 5.268 ( 1.357 0.000 1.230) 1.831 5.341 ( 1.231 0.000 1.011) 1.593 5.555 ( 1.562 0.000 2.086) 2.606 5.584 ( 1.940 0.000 0.353) 1.972 5.927 ( 0.360 0.000 2.369) 2.396 5.940 ( 1.628 0.000 -3.182) 3.574 6.345 ( 0.509 0.000 0.153) 0.532 6.377 ( 1.246 0.000 -0.428) 1.317 6.700 ( 0.565 0.000 3.471) 3.517 6.701 ( 1.507 0.000 -2.334) 2.779 7.197 ( 0.807 0.000 -2.078) 2.229 7.250 ( 1.834 0.000 3.820) 4.237 7.310 ( -1.612 0.000 -1.107) 1.955 7.440 ( 3.758 0.000 3.955) 5.456 7.523 ( -5.236 0.000 -2.042) 5.620 7.715 ( 2.279 0.000 0.679) 2.378 7.772 ( -2.184 0.000 -5.164) 5.607 7.830 ( -0.746 0.000 1.874) 2.017 8.135 ( -0.055 0.000 0.288) 0.293 8.148 ( 0.514 0.000 -1.731) 1.806 8.306 ( -0.741 0.000 -2.973) 3.064 8.374 ( -0.408 0.000 4.179) 4.199 8.749 ( -2.863 0.000 1.230) 3.116 8.857 ( -0.649 0.000 -2.377) 2.464 8.910 ( 1.005 0.000 -5.891) 5.976 8.952 ( -0.847 0.000 5.847) 5.908 9.690 ( -2.908 0.000 -0.772) 3.008 9.741 ( -2.772 0.000 1.780) 3.294 10.103 ( 1.885 0.000 -4.193) 4.597 10.131 ( 0.662 0.000 2.724) 2.804 10.205 ( 0.126 0.000 -0.987) 0.995 10.209 ( -0.497 0.000 2.308) 2.361 10.393 ( 2.052 0.000 0.904) 2.242 10.394 ( 2.155 0.000 -1.418) 2.580 11.435 ( 2.931 0.000 -13.877) 14.183 11.453 ( -1.305 0.000 15.013) 15.070 11.582 ( -1.800 0.000 -0.094) 1.802 11.661 ( 0.713 0.000 1.426) 1.594 11.711 ( -3.019 0.000 -1.712) 3.471 11.791 ( -2.574 0.000 2.402) 3.521 11.871 ( 2.255 0.000 1.209) 2.559 11.897 ( 2.268 0.000 -4.181) 4.756 12.541 ( 2.843 0.000 -6.997) 7.553 12.572 ( 0.854 0.000 12.764) 12.792 12.821 ( -5.045 0.000 -4.457) 6.732 12.920 ( -4.055 0.000 -2.873) 4.970 13.247 ( 1.892 0.000 -4.490) 4.873 13.380 ( 1.145 0.000 4.961) 5.092 13.659 ( 0.111 0.000 3.457) 3.459 13.682 ( 1.732 0.000 -3.954) 4.317 14.169 ( -0.513 0.000 0.500) 0.716 14.189 ( 1.237 0.000 6.381) 6.500 14.290 ( 0.138 0.000 -2.590) 2.594 14.320 ( 2.120 0.000 1.008) 2.347 14.568 ( -4.212 0.000 -3.752) 5.640 14.668 ( -4.879 0.000 -0.528) 4.907 14.836 ( 3.513 0.000 2.193) 4.141 14.889 ( 2.912 0.000 -0.892) 3.045 20.497 ( 0.328 0.000 3.875) 3.889 20.544 ( 1.887 0.000 0.959) 2.117 20.765 ( 3.257 0.000 -4.465) 5.527 20.853 ( 4.780 0.000 1.755) 5.092 20.900 ( -3.168 0.000 -3.264) 4.548 20.914 ( -3.053 0.000 -0.078) 3.054 21.137 ( -2.270 0.000 1.227) 2.581 21.158 ( -0.313 0.000 -0.714) 0.779 21.180 ( -0.254 0.000 3.850) 3.859 21.198 ( 0.816 0.000 -1.322) 1.554 21.653 ( -0.197 0.000 -0.719) 0.746 21.721 ( 0.904 0.000 0.863) 1.250 22.010 ( 1.910 0.000 5.775) 6.082 22.036 ( 4.640 0.000 -6.244) 7.780 22.230 ( -2.675 0.000 5.477) 6.095 22.245 ( -0.359 0.000 -6.254) 6.264 22.899 ( -1.697 0.000 -1.586) 2.323 22.916 ( -1.387 0.000 -0.555) 1.494 23.089 ( -0.616 0.000 -0.565) 0.836 23.108 ( -0.360 0.000 1.480) 1.523 23.374 ( -0.086 0.000 -0.123) 0.150 23.384 ( 0.327 0.000 0.810) 0.874 23.506 ( -0.941 0.000 -4.384) 4.484 23.555 ( -1.025 0.000 3.648) 3.789 23.948 ( -0.080 0.000 -0.782) 0.786 23.991 ( 1.330 0.000 -0.640) 1.476 24.077 ( -3.505 0.000 4.542) 5.737 24.105 ( -1.225 0.000 -4.617) 4.777 24.294 ( 2.866 0.000 -4.324) 5.187 24.395 ( 4.640 0.000 7.700) 8.990 24.563 ( -5.345 0.000 2.800) 6.034 24.660 ( -0.091 0.000 -3.550) 3.551 ======================= Grid point 103 (57/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.852 0.000 -11.181) 11.213 0.813 ( -6.585 0.000 3.423) 7.421 0.978 ( 0.934 0.000 2.216) 2.405 0.992 ( 0.881 0.000 -6.989) 7.044 1.000 ( 1.497 0.000 3.961) 4.234 1.081 ( -5.375 0.000 -0.259) 5.381 1.205 ( 1.974 0.000 0.047) 1.975 1.219 ( 0.470 0.000 -4.067) 4.094 1.244 ( -1.885 0.000 0.783) 2.042 1.262 ( -2.933 0.000 2.909) 4.131 1.343 ( 3.692 0.000 2.500) 4.459 1.347 ( 1.375 0.000 0.679) 1.533 1.389 ( -1.374 0.000 0.005) 1.374 1.394 ( -1.214 0.000 6.439) 6.553 1.423 ( -0.179 0.000 -4.685) 4.688 1.492 ( -6.589 0.000 -2.393) 7.010 1.565 ( -1.243 0.000 3.478) 3.693 1.574 ( -1.307 0.000 -2.581) 2.893 1.708 ( 0.608 0.000 3.758) 3.807 1.735 ( -0.540 0.000 0.980) 1.119 1.749 ( 3.127 0.000 -2.292) 3.877 1.758 ( 0.238 0.000 0.296) 0.380 1.800 ( 3.994 0.000 -0.335) 4.008 1.879 ( -1.666 0.000 -0.866) 1.878 1.943 ( -0.672 0.000 -1.479) 1.624 1.944 ( -0.316 0.000 0.518) 0.606 2.005 ( 3.729 0.000 5.538) 6.676 2.046 ( 2.154 0.000 -6.708) 7.046 2.195 ( 0.507 0.000 -2.612) 2.661 2.208 ( 0.366 0.000 -3.642) 3.661 2.211 ( 0.516 0.000 4.048) 4.081 2.266 ( -4.321 0.000 0.167) 4.324 2.554 ( 5.923 0.000 4.344) 7.346 2.629 ( -0.704 0.000 -1.718) 1.857 2.710 ( 0.652 0.000 4.712) 4.757 2.730 ( 1.292 0.000 -7.908) 8.013 2.842 ( 1.524 0.000 -0.959) 1.801 2.936 ( -6.775 0.000 2.127) 7.101 3.078 ( 5.150 0.000 1.557) 5.380 3.094 ( 1.642 0.000 8.272) 8.434 3.115 ( 4.557 0.000 -0.299) 4.567 3.178 ( -1.542 0.000 -7.719) 7.871 3.240 ( -0.826 0.000 0.836) 1.175 3.243 ( -0.112 0.000 7.889) 7.890 3.261 ( -0.447 0.000 -5.115) 5.135 3.284 ( -2.712 0.000 4.946) 5.641 3.421 ( 3.260 0.000 -4.447) 5.514 3.428 ( -0.194 0.000 -0.056) 0.202 3.468 ( 0.638 0.000 0.474) 0.795 3.506 ( -2.636 0.000 -6.430) 6.949 3.641 ( 9.120 0.000 -5.969) 10.900 3.807 ( -7.610 0.000 5.860) 9.605 3.819 ( 0.855 0.000 -0.800) 1.171 3.882 ( -4.576 0.000 1.358) 4.774 3.965 ( 2.082 0.000 1.876) 2.803 4.015 ( -1.698 0.000 -3.711) 4.081 4.182 ( 1.088 0.000 -0.363) 1.147 4.189 ( 0.287 0.000 1.063) 1.101 4.270 ( 3.081 0.000 -1.884) 3.611 4.289 ( -0.295 0.000 5.991) 5.998 4.449 ( 2.451 0.000 -1.051) 2.667 4.484 ( -0.993 0.000 1.489) 1.790 4.796 ( -1.199 0.000 0.284) 1.233 4.799 ( -1.279 0.000 -0.761) 1.488 5.118 ( -1.030 0.000 -4.187) 4.312 5.125 ( -2.993 0.000 1.851) 3.519 5.303 ( 2.060 0.000 -0.159) 2.066 5.341 ( -1.566 0.000 1.233) 1.994 5.596 ( 1.430 0.000 1.047) 1.772 5.609 ( 0.301 0.000 0.292) 0.419 5.946 ( 0.339 0.000 3.267) 3.285 5.954 ( 0.777 0.000 -3.723) 3.803 6.370 ( 1.623 0.000 -0.358) 1.662 6.389 ( -0.175 0.000 0.083) 0.193 6.722 ( 1.420 0.000 -3.942) 4.190 6.723 ( -0.022 0.000 4.677) 4.677 7.219 ( 1.763 0.000 -1.223) 2.146 7.252 ( -1.769 0.000 0.717) 1.909 7.336 ( 3.153 0.000 3.008) 4.358 7.419 ( -4.230 0.000 -2.683) 5.009 7.541 ( 4.858 0.000 4.851) 6.866 7.659 ( -4.936 0.000 -4.757) 6.855 7.777 ( 1.920 0.000 -0.922) 2.130 7.810 ( -1.641 0.000 1.014) 1.929 8.141 ( 0.393 0.000 0.289) 0.488 8.148 ( -0.031 0.000 -1.119) 1.119 8.306 ( 1.794 0.000 -2.927) 3.433 8.349 ( -3.042 0.000 3.567) 4.688 8.738 ( 1.377 0.000 1.476) 2.018 8.797 ( -3.293 0.000 -2.493) 4.130 8.928 ( 1.891 0.000 -5.185) 5.519 8.945 ( -1.636 0.000 5.503) 5.741 9.656 ( 0.083 0.000 -1.076) 1.079 9.684 ( -2.864 0.000 1.566) 3.264 10.126 ( 1.838 0.000 -5.452) 5.754 10.138 ( -1.043 0.000 4.706) 4.820 10.206 ( 0.142 0.000 -0.197) 0.242 10.207 ( -0.196 0.000 0.927) 0.947 10.432 ( 1.539 0.000 -0.930) 1.798 10.434 ( 1.150 0.000 0.663) 1.328 11.456 ( 3.675 0.000 -13.990) 14.465 11.472 ( -2.452 0.000 15.642) 15.833 11.562 ( 0.268 0.000 0.891) 0.930 11.608 ( -3.320 0.000 -2.395) 4.094 11.718 ( 1.620 0.000 0.755) 1.787 11.751 ( -1.847 0.000 0.585) 1.938 11.908 ( 0.778 0.000 2.144) 2.281 11.916 ( 0.918 0.000 -3.550) 3.667 12.597 ( 4.277 0.000 -2.966) 5.204 12.644 ( 0.865 0.000 11.379) 11.412 12.718 ( -2.647 0.000 -1.864) 3.237 12.793 ( -5.484 0.000 -7.810) 9.543 13.305 ( 4.195 0.000 -3.478) 5.449 13.369 ( -3.215 0.000 4.265) 5.341 13.684 ( 0.825 0.000 2.825) 2.943 13.696 ( 0.736 0.000 -3.296) 3.377 14.181 ( 1.595 0.000 2.382) 2.867 14.235 ( -1.641 0.000 -0.910) 1.876 14.284 ( 2.652 0.000 3.431) 4.337 14.342 ( -0.680 0.000 -0.864) 1.100 14.516 ( 0.193 0.000 -2.317) 2.325 14.561 ( -4.471 0.000 -0.871) 4.556 14.903 ( 1.889 0.000 2.360) 3.023 14.921 ( 0.725 0.000 -1.807) 1.947 20.541 ( 2.173 0.000 4.439) 4.942 20.575 ( 0.454 0.000 -0.707) 0.841 20.785 ( -0.379 0.000 -2.807) 2.833 20.818 ( -3.584 0.000 -1.950) 4.080 20.896 ( 4.515 0.000 -1.937) 4.913 20.953 ( 0.766 0.000 1.843) 1.996 21.094 ( -1.043 0.000 2.605) 2.806 21.130 ( -2.141 0.000 -1.646) 2.700 21.195 ( 0.384 0.000 2.646) 2.674 21.204 ( 0.175 0.000 -1.280) 1.292 21.671 ( 1.594 0.000 2.097) 2.634 21.713 ( -1.337 0.000 -2.260) 2.625 22.093 ( 4.199 0.000 4.881) 6.439 22.115 ( 4.621 0.000 -4.554) 6.488 22.185 ( -3.634 0.000 4.977) 6.162 22.191 ( -2.984 0.000 -5.820) 6.540 22.871 ( -0.018 0.000 -2.633) 2.633 22.883 ( -1.694 0.000 1.301) 2.136 23.082 ( 0.348 0.000 -0.691) 0.774 23.096 ( -1.115 0.000 1.157) 1.606 23.374 ( 0.125 0.000 0.468) 0.484 23.383 ( -0.521 0.000 -0.232) 0.571 23.498 ( 1.598 0.000 -3.334) 3.697 23.531 ( -2.327 0.000 3.114) 3.888 23.961 ( 1.506 0.000 -0.638) 1.635 23.994 ( -1.241 0.000 -0.860) 1.510 24.048 ( -0.427 0.000 4.519) 4.539 24.070 ( -0.892 0.000 -3.586) 3.696 24.353 ( 4.230 0.000 -3.388) 5.420 24.437 ( -4.922 0.000 4.526) 6.687 24.533 ( 3.750 0.000 3.886) 5.401 24.618 ( -2.768 0.000 -3.792) 4.695 ======================= Grid point 106 (58/63) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -3.065 -2.523 -6.750) 7.831 0.925 ( 3.065 -2.523 6.750) 7.831 0.969 ( -4.074 -1.626 -3.519) 5.624 0.969 ( 4.074 -1.626 3.519) 5.624 1.072 ( -3.542 -0.431 -1.440) 3.848 1.072 ( 3.542 -0.431 1.440) 3.848 1.186 ( 0.033 -2.299 -4.067) 4.672 1.186 ( -0.033 -2.299 4.067) 4.672 1.261 ( -3.954 0.305 0.201) 3.971 1.261 ( 3.954 0.305 -0.201) 3.971 1.329 ( -0.856 -1.493 -2.321) 2.889 1.329 ( 0.856 -1.493 2.321) 2.889 1.416 ( 1.354 -3.442 -4.319) 5.687 1.416 ( -1.354 -3.442 4.319) 5.687 1.451 ( -0.155 -2.325 -0.681) 2.427 1.451 ( 0.155 -2.325 0.681) 2.427 1.605 ( -0.614 0.679 -2.253) 2.432 1.605 ( 0.614 0.679 2.253) 2.432 1.724 ( 0.246 1.068 -2.585) 2.808 1.724 ( -0.246 1.068 2.585) 2.808 1.804 ( -2.429 -0.939 -1.552) 3.032 1.804 ( 2.429 -0.939 1.552) 3.032 1.835 ( 3.908 4.855 -3.741) 7.269 1.835 ( -3.908 4.855 3.741) 7.269 1.901 ( 3.411 3.459 -5.846) 7.601 1.901 ( -3.411 3.459 5.846) 7.601 2.034 ( 0.927 -0.713 -2.611) 2.861 2.034 ( -0.927 -0.713 2.611) 2.861 2.216 ( 0.476 3.167 -3.696) 4.890 2.216 ( -0.476 3.167 3.696) 4.890 2.293 ( -3.036 3.324 -4.253) 6.193 2.293 ( 3.036 3.324 4.253) 6.193 2.489 ( -2.017 1.569 -4.190) 4.908 2.489 ( 2.017 1.569 4.190) 4.908 2.724 ( -1.715 -1.697 -5.202) 5.735 2.724 ( 1.715 -1.697 5.202) 5.735 2.833 ( -3.533 -4.052 -1.688) 5.635 2.833 ( 3.533 -4.052 1.688) 5.635 2.918 ( -0.688 1.834 -2.978) 3.564 2.918 ( 0.688 1.834 2.978) 3.564 3.128 ( -2.149 2.450 -3.003) 4.431 3.128 ( 2.149 2.450 3.003) 4.431 3.198 ( 1.811 -5.995 -2.928) 6.913 3.198 ( -1.811 -5.995 2.928) 6.913 3.284 ( 0.309 -1.349 -4.830) 5.025 3.284 ( -0.309 -1.349 4.830) 5.025 3.452 ( -0.088 4.343 -4.371) 6.163 3.452 ( 0.088 4.343 4.371) 6.163 3.541 ( -0.463 3.909 -1.934) 4.386 3.541 ( 0.463 3.909 1.934) 4.386 3.742 ( -3.892 -1.975 -6.212) 7.592 3.742 ( 3.892 -1.975 6.212) 7.592 3.872 ( -3.666 -4.016 -1.557) 5.656 3.872 ( 3.666 -4.016 1.557) 5.656 4.040 ( 2.023 1.238 -3.654) 4.356 4.040 ( -2.023 1.238 3.654) 4.356 4.104 ( 0.173 -2.621 -2.380) 3.545 4.104 ( -0.173 -2.621 2.380) 3.545 4.167 ( 1.236 -2.410 -5.284) 5.938 4.167 ( -1.236 -2.410 5.284) 5.938 4.507 ( 1.420 5.711 -2.313) 6.323 4.507 ( -1.420 5.711 2.313) 6.323 4.801 ( -1.288 -6.401 -0.820) 6.581 4.801 ( 1.288 -6.401 0.820) 6.581 5.185 ( -0.350 -1.862 -1.239) 2.263 5.185 ( 0.350 -1.862 1.239) 2.263 5.320 ( -1.198 0.902 -0.317) 1.532 5.320 ( 1.198 0.902 0.317) 1.532 5.604 ( -1.583 4.297 -1.568) 4.840 5.604 ( 1.583 4.297 1.568) 4.840 5.921 ( 0.428 -0.177 -1.830) 1.888 5.921 ( -0.428 -0.177 1.830) 1.888 6.427 ( -0.254 6.037 -0.857) 6.103 6.427 ( 0.254 6.037 0.857) 6.103 6.661 ( 0.840 -2.682 -2.355) 3.667 6.661 ( -0.840 -2.682 2.355) 3.667 7.203 ( -0.980 -0.365 -2.617) 2.818 7.203 ( 0.980 -0.365 2.617) 2.818 7.382 ( -2.368 1.963 -2.379) 3.888 7.382 ( 2.368 1.963 2.379) 3.888 7.596 ( -4.583 -3.149 -0.807) 5.619 7.596 ( 4.583 -3.149 0.807) 5.619 7.824 ( -0.686 0.254 -2.355) 2.466 7.824 ( 0.686 0.254 2.355) 2.466 8.144 ( 0.307 0.309 -0.948) 1.043 8.144 ( -0.307 0.309 0.948) 1.043 8.328 ( -1.315 -1.239 -2.828) 3.356 8.328 ( 1.315 -1.239 2.828) 3.356 8.797 ( 2.195 -0.544 -0.798) 2.398 8.797 ( -2.195 -0.544 0.798) 2.398 9.052 ( 0.096 7.935 -4.775) 9.261 9.052 ( -0.096 7.935 4.775) 9.261 9.679 ( -0.884 -5.722 -2.053) 6.143 9.679 ( 0.884 -5.722 2.053) 6.143 10.094 ( 0.497 -0.493 -1.471) 1.629 10.094 ( -0.497 -0.493 1.471) 1.629 10.203 ( -0.118 -0.325 -1.523) 1.562 10.203 ( 0.118 -0.325 1.523) 1.562 10.365 ( 0.924 -0.580 -1.518) 1.870 10.365 ( -0.924 -0.580 1.518) 1.870 11.448 ( 1.156 1.325 -10.386) 10.534 11.448 ( -1.156 1.325 10.386) 10.534 11.649 ( -0.852 1.626 -1.950) 2.678 11.649 ( 0.852 1.626 1.950) 2.678 11.776 ( -2.115 -0.749 -1.335) 2.611 11.776 ( 2.115 -0.749 1.335) 2.611 11.856 ( 0.861 -0.196 -1.325) 1.592 11.856 ( -0.861 -0.196 1.325) 1.592 12.564 ( 0.901 2.427 -8.114) 8.517 12.564 ( -0.901 2.427 8.114) 8.517 12.931 ( -3.528 0.679 -3.963) 5.349 12.931 ( 3.528 0.679 3.963) 5.349 13.278 ( -2.649 -1.432 -5.892) 6.617 13.278 ( 2.649 -1.432 5.892) 6.617 13.495 ( 0.199 -10.983 -3.322) 11.476 13.495 ( -0.199 -10.983 3.322) 11.476 14.210 ( -1.189 0.861 -1.123) 1.848 14.210 ( 1.189 0.861 1.123) 1.848 14.385 ( -2.042 7.548 -1.394) 7.943 14.385 ( 2.042 7.548 1.394) 7.943 14.672 ( -6.424 -0.433 -3.253) 7.214 14.672 ( 6.424 -0.433 3.253) 7.214 14.816 ( -4.000 -0.561 -1.632) 4.357 14.816 ( 4.000 -0.561 1.632) 4.357 20.512 ( 0.636 0.499 -0.957) 1.253 20.512 ( -0.636 0.499 0.957) 1.253 20.755 ( -1.545 -0.629 -2.535) 3.035 20.755 ( 1.545 -0.629 2.535) 3.035 20.940 ( -0.309 -0.740 -0.806) 1.137 20.940 ( 0.309 -0.740 0.806) 1.137 21.120 ( 0.359 -1.127 -0.527) 1.295 21.120 ( -0.359 -1.127 0.527) 1.295 21.248 ( -0.433 3.039 -1.555) 3.441 21.248 ( 0.433 3.039 1.555) 3.441 21.677 ( -2.058 -0.131 -2.619) 3.334 21.677 ( 2.058 -0.131 2.619) 3.334 21.962 ( 0.688 -2.161 -3.722) 4.358 21.962 ( -0.688 -2.161 3.722) 4.358 22.271 ( 0.641 1.287 -3.447) 3.735 22.271 ( -0.641 1.287 3.447) 3.735 22.943 ( -0.084 1.241 -0.335) 1.288 22.943 ( 0.084 1.241 0.335) 1.288 23.087 ( -0.540 -1.238 -0.755) 1.548 23.087 ( 0.540 -1.238 0.755) 1.548 23.395 ( 0.018 1.621 -0.696) 1.765 23.395 ( -0.018 1.621 0.696) 1.765 23.520 ( -0.433 -1.928 -3.168) 3.734 23.520 ( 0.433 -1.928 3.168) 3.734 23.988 ( -2.278 1.996 -0.675) 3.103 23.988 ( 2.278 1.996 0.675) 3.103 24.097 ( -1.179 -2.111 -2.690) 3.617 24.097 ( 1.179 -2.111 2.690) 3.617 24.321 ( -2.015 1.850 -4.467) 5.238 24.321 ( 2.015 1.850 4.467) 5.238 24.628 ( 2.502 -1.041 -2.432) 3.642 24.628 ( -2.502 -1.041 2.432) 3.642 ======================= Grid point 108 (59/63) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -4.677 -2.051 -8.990) 10.340 0.907 ( -2.109 -0.996 3.097) 3.877 0.972 ( -0.511 -0.281 -1.613) 1.716 0.985 ( -1.298 0.587 -5.650) 5.826 1.083 ( 2.535 -3.602 2.324) 4.980 1.126 ( 1.904 2.944 -0.975) 3.639 1.165 ( -2.519 -0.871 -1.379) 3.001 1.174 ( -0.779 -2.017 2.311) 3.165 1.229 ( 0.154 -0.418 0.441) 0.627 1.277 ( 0.681 -1.371 -0.110) 1.534 1.313 ( -2.938 -2.157 0.123) 3.646 1.353 ( 0.584 -1.658 4.018) 4.386 1.387 ( -1.254 -0.140 2.026) 2.387 1.404 ( -1.604 -3.705 0.443) 4.061 1.422 ( -0.581 -2.346 1.440) 2.813 1.519 ( 3.421 -2.759 2.952) 5.295 1.574 ( -1.910 0.644 -2.567) 3.263 1.610 ( -0.402 -0.854 -1.361) 1.656 1.664 ( -3.443 -0.902 -0.690) 3.625 1.707 ( -5.092 1.657 1.320) 5.515 1.731 ( -3.096 1.924 -0.426) 3.670 1.801 ( 2.578 1.928 -1.359) 3.494 1.847 ( 0.721 0.345 -0.409) 0.898 1.901 ( 4.192 1.694 -1.062) 4.645 1.902 ( 0.279 6.268 2.487) 6.749 1.976 ( 3.234 0.929 -3.892) 5.145 1.984 ( -0.890 -0.291 -0.163) 0.951 2.038 ( -0.318 0.552 -1.634) 1.754 2.216 ( -0.616 1.679 -0.141) 1.794 2.228 ( 1.220 2.543 -1.102) 3.028 2.242 ( -0.726 4.728 -0.033) 4.784 2.358 ( 1.320 1.709 -0.934) 2.352 2.456 ( 0.746 3.020 1.380) 3.403 2.549 ( 1.817 -1.571 2.243) 3.286 2.719 ( 2.114 -2.102 -3.077) 4.284 2.757 ( -2.659 -6.255 -0.213) 6.800 2.791 ( 0.663 0.998 6.116) 6.233 2.877 ( -0.719 -5.105 1.673) 5.420 2.909 ( 3.147 0.730 0.961) 3.371 2.994 ( 5.463 0.989 -0.999) 5.641 3.132 ( 1.636 3.017 -1.117) 3.609 3.161 ( -1.635 -5.389 -0.428) 5.647 3.186 ( 0.397 -3.255 0.742) 3.362 3.266 ( 5.031 0.315 -7.989) 9.447 3.277 ( 1.595 -0.167 3.049) 3.445 3.303 ( 0.130 -0.184 6.065) 6.070 3.383 ( -1.820 1.747 1.191) 2.790 3.469 ( -0.880 3.783 -5.205) 6.494 3.527 ( -0.015 3.980 -1.905) 4.413 3.584 ( 4.369 4.275 -4.224) 7.431 3.656 ( -2.868 3.536 -2.572) 5.229 3.788 ( -2.689 -2.139 1.721) 3.843 3.834 ( 1.451 -4.997 2.741) 5.881 3.910 ( -1.399 -5.250 0.188) 5.436 3.986 ( -2.863 3.998 0.898) 4.999 4.059 ( 1.029 -0.731 -2.110) 2.458 4.099 ( -0.518 -3.053 2.072) 3.726 4.116 ( 0.730 -2.387 1.261) 2.797 4.174 ( 3.006 -1.898 1.172) 3.744 4.239 ( 3.440 -1.775 2.313) 4.510 4.500 ( 0.087 6.469 2.182) 6.828 4.534 ( 1.672 4.815 -1.627) 5.351 4.763 ( -1.388 -4.916 -0.492) 5.132 4.814 ( -0.790 -5.017 -0.445) 5.098 5.146 ( -2.220 -1.089 -0.990) 2.663 5.208 ( 1.657 -3.701 0.593) 4.099 5.267 ( -4.190 3.871 -0.600) 5.736 5.334 ( 0.309 -0.203 0.718) 0.808 5.573 ( -0.739 1.650 -0.740) 1.953 5.624 ( -0.206 2.045 0.726) 2.180 5.929 ( 0.448 0.040 2.142) 2.189 5.933 ( 1.213 -0.455 -1.721) 2.154 6.422 ( 0.272 6.320 -1.281) 6.455 6.437 ( 0.204 4.806 1.055) 4.925 6.653 ( -0.338 -3.676 2.605) 4.518 6.676 ( 0.850 -2.986 -1.721) 3.550 7.199 ( 1.283 0.423 -1.636) 2.122 7.251 ( 2.592 -0.548 3.334) 4.258 7.329 ( -2.108 2.160 -0.752) 3.111 7.449 ( 1.819 -0.286 2.734) 3.297 7.508 ( -2.419 0.231 -1.342) 2.776 7.680 ( 3.570 -3.840 -0.357) 5.255 7.776 ( -3.197 0.989 -3.133) 4.584 7.823 ( -1.322 -0.684 1.210) 1.918 8.143 ( 0.188 0.623 0.096) 0.658 8.150 ( 0.579 0.187 -1.376) 1.504 8.305 ( -0.014 0.161 -1.950) 1.956 8.360 ( 0.346 -1.373 3.338) 3.626 8.760 ( -1.183 1.539 0.603) 2.032 8.833 ( 1.117 -1.509 -0.823) 2.050 9.022 ( -1.063 8.709 -5.230) 10.214 9.048 ( -1.784 6.609 4.616) 8.256 9.636 ( -1.591 -4.018 -0.594) 4.362 9.695 ( -0.973 -4.710 1.481) 5.032 10.061 ( -0.878 -1.984 -0.258) 2.185 10.115 ( 0.379 -1.935 -2.198) 2.953 10.199 ( 0.216 -0.247 -0.644) 0.723 10.208 ( -0.214 -0.144 1.997) 2.014 10.359 ( 0.204 -1.412 1.066) 1.781 10.388 ( 1.245 -1.806 -1.077) 2.444 11.451 ( 2.641 1.426 -10.332) 10.759 11.471 ( 0.015 1.308 9.150) 9.243 11.617 ( -1.740 2.684 -0.424) 3.227 11.678 ( 0.927 0.582 1.386) 1.767 11.714 ( -3.118 0.948 -0.387) 3.282 11.782 ( -1.534 -0.912 1.789) 2.527 11.860 ( 1.720 -0.468 -0.178) 1.792 11.890 ( 1.479 -0.756 -0.670) 1.791 12.562 ( 1.078 2.335 1.394) 2.925 12.621 ( 3.430 2.886 4.416) 6.292 12.819 ( -5.095 1.443 -5.632) 7.731 12.958 ( -2.210 1.753 -2.045) 3.484 13.240 ( 1.283 -0.240 -3.077) 3.342 13.341 ( 0.711 -3.390 5.386) 6.404 13.482 ( 0.415 -11.543 -1.136) 11.606 13.516 ( 0.837 -11.038 0.295) 11.074 14.185 ( -0.791 1.274 0.500) 1.581 14.242 ( 1.468 -0.337 1.259) 1.963 14.337 ( -2.065 5.938 0.432) 6.302 14.459 ( 3.584 9.253 1.576) 10.047 14.531 ( -5.902 -2.176 -2.971) 6.957 14.720 ( -4.072 2.884 -2.310) 5.499 14.807 ( 5.116 -1.695 1.986) 5.744 14.889 ( 2.787 -0.579 0.243) 2.857 20.502 ( 0.199 0.546 2.883) 2.941 20.538 ( 1.148 -0.611 1.122) 1.717 20.780 ( 4.314 1.325 -2.704) 5.261 20.840 ( 4.142 -0.958 0.259) 4.259 20.893 ( -3.008 -0.409 -1.964) 3.615 20.910 ( -1.592 -0.697 0.233) 1.753 21.120 ( -0.026 -1.173 1.115) 1.618 21.126 ( -0.491 -0.585 1.487) 1.672 21.227 ( -0.911 3.022 -0.599) 3.213 21.257 ( -0.309 3.152 0.549) 3.215 21.629 ( -1.230 -1.265 -1.491) 2.310 21.703 ( -0.600 -1.944 0.693) 2.149 21.968 ( 2.581 -1.274 1.681) 3.333 22.037 ( 4.678 -2.102 -0.415) 5.145 22.232 ( -2.551 1.584 -0.847) 3.120 22.272 ( -0.733 0.935 -1.431) 1.860 22.911 ( -1.838 1.029 -1.090) 2.371 22.929 ( -1.774 0.842 -0.331) 1.992 23.074 ( -0.301 -0.801 -0.078) 0.859 23.100 ( -0.069 -0.949 0.776) 1.228 23.392 ( -0.133 1.611 0.113) 1.620 23.400 ( 0.144 1.405 0.417) 1.472 23.491 ( -0.914 -1.270 -3.598) 3.923 23.523 ( -1.083 -2.663 2.571) 3.857 23.948 ( -1.167 0.495 -0.827) 1.514 24.011 ( -2.408 -1.515 -0.929) 2.993 24.056 ( 2.310 2.993 1.269) 3.988 24.167 ( 1.888 2.094 -0.649) 2.893 24.283 ( 0.467 0.059 -2.448) 2.493 24.391 ( 2.367 -1.173 5.394) 6.007 24.567 ( -3.828 0.728 1.949) 4.357 24.641 ( -0.312 -1.617 -2.360) 2.878 ======================= Grid point 109 (60/63) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 2.843 1.554 -4.651) 5.668 0.839 ( -6.327 2.228 0.674) 6.741 0.952 ( 2.699 -1.617 1.231) 3.379 1.008 ( 0.855 0.783 -2.502) 2.758 1.057 ( -2.031 4.015 -2.893) 5.349 1.074 ( -3.005 -1.417 -0.205) 3.328 1.182 ( 2.236 -0.423 -1.225) 2.585 1.215 ( -0.516 -0.964 3.816) 3.970 1.232 ( 0.899 -2.070 -0.400) 2.292 1.265 ( -0.498 -2.108 -0.091) 2.168 1.301 ( 0.814 -1.513 3.278) 3.701 1.348 ( -1.600 -2.220 0.307) 2.754 1.373 ( 0.248 0.149 -0.437) 0.524 1.390 ( 0.035 1.420 3.267) 3.562 1.428 ( 0.017 -0.977 0.671) 1.185 1.491 ( -5.037 0.940 -3.352) 6.124 1.543 ( 0.035 -2.731 -0.286) 2.746 1.566 ( -2.956 -1.076 0.316) 3.162 1.622 ( 0.409 -3.190 2.658) 4.172 1.653 ( -2.027 -3.110 -2.303) 4.369 1.744 ( 4.034 0.211 0.853) 4.128 1.819 ( -2.616 0.284 -1.753) 3.162 1.849 ( 2.475 1.778 0.223) 3.056 1.895 ( -1.114 1.952 -1.642) 2.783 1.966 ( 0.554 1.466 1.435) 2.125 1.975 ( -0.023 1.850 -2.393) 3.025 2.020 ( 2.616 1.140 5.388) 6.097 2.055 ( 1.384 0.352 -5.560) 5.740 2.212 ( 0.948 3.174 -0.951) 3.446 2.233 ( -1.144 3.578 1.952) 4.234 2.256 ( 2.308 3.198 -1.245) 4.136 2.320 ( -3.589 3.519 -0.708) 5.076 2.517 ( 3.095 -1.948 2.031) 4.183 2.562 ( -0.842 -3.458 -0.478) 3.591 2.727 ( 0.317 -6.839 1.339) 6.976 2.749 ( 0.082 -8.053 -1.826) 8.258 2.816 ( 0.306 4.079 4.659) 6.200 2.837 ( -1.291 2.180 -2.362) 3.464 3.019 ( 4.902 -3.133 2.351) 6.274 3.082 ( 2.537 -1.045 -2.786) 3.910 3.110 ( -1.730 -4.685 -0.490) 5.018 3.129 ( -1.328 -1.020 0.836) 1.871 3.233 ( 2.210 1.472 2.631) 3.738 3.273 ( 0.712 1.390 -2.922) 3.313 3.279 ( -2.020 0.587 1.950) 2.868 3.303 ( -1.383 1.450 1.091) 2.282 3.434 ( 0.685 0.617 -2.043) 2.242 3.443 ( 0.982 1.570 -3.079) 3.593 3.568 ( 5.069 6.431 -1.687) 8.360 3.615 ( -0.934 7.246 0.507) 7.324 3.667 ( 5.394 3.026 -3.579) 7.145 3.751 ( -1.617 -1.252 1.538) 2.559 3.827 ( -3.361 -3.758 4.203) 6.564 3.835 ( -4.085 -3.925 -1.748) 5.929 3.976 ( 1.790 2.478 -0.566) 3.108 4.028 ( -3.022 0.561 0.426) 3.103 4.119 ( 1.215 -4.603 0.418) 4.779 4.131 ( -0.165 -3.896 1.929) 4.350 4.259 ( 4.272 -0.570 -2.210) 4.844 4.291 ( 0.252 -0.759 3.396) 3.489 4.523 ( 1.491 6.031 1.237) 6.335 4.548 ( -0.110 5.051 -0.938) 5.138 4.751 ( 0.381 -3.570 -0.315) 3.604 4.777 ( -2.039 -2.955 -0.460) 3.619 5.116 ( 0.158 0.852 0.060) 0.868 5.167 ( -4.391 3.744 -1.271) 5.909 5.266 ( 3.419 -3.667 0.872) 5.089 5.325 ( -1.847 -1.399 0.284) 2.335 5.572 ( 0.786 -1.043 0.545) 1.415 5.603 ( -1.653 -1.296 -0.596) 2.184 5.945 ( 0.279 -0.114 1.989) 2.012 5.948 ( 0.681 -0.427 -1.763) 1.937 6.428 ( 0.894 5.122 -2.174) 5.636 6.438 ( -0.613 4.170 1.921) 4.632 6.664 ( 0.259 -4.589 3.480) 5.766 6.678 ( 0.118 -4.098 -2.880) 5.010 7.236 ( 2.562 1.589 -0.824) 3.126 7.283 ( -2.173 2.563 0.740) 3.441 7.324 ( 3.216 -1.296 2.198) 4.105 7.400 ( -3.690 -1.849 -1.559) 4.412 7.568 ( 4.821 2.436 3.124) 6.240 7.679 ( -4.804 0.868 -3.867) 6.228 7.741 ( 2.463 -2.376 -0.302) 3.436 7.787 ( -2.329 -1.812 0.569) 3.005 8.151 ( 0.417 0.728 0.159) 0.854 8.155 ( 0.217 0.481 -0.854) 1.004 8.318 ( 1.918 1.062 -2.047) 3.000 8.353 ( -1.956 0.054 2.841) 3.450 8.769 ( 1.924 2.427 0.566) 3.149 8.821 ( -2.205 0.670 -0.637) 2.390 8.998 ( 0.984 7.022 -5.376) 8.899 9.019 ( -2.429 5.826 4.910) 7.997 9.625 ( 0.870 -2.378 -0.991) 2.719 9.659 ( -2.538 -2.426 1.471) 3.807 10.066 ( 1.120 -4.493 0.573) 4.666 10.096 ( -1.247 -3.899 -1.872) 4.501 10.205 ( 0.508 0.117 -0.741) 0.906 10.209 ( -0.282 0.173 1.476) 1.512 10.376 ( 1.005 -3.132 0.921) 3.416 10.395 ( -0.295 -3.542 -0.960) 3.682 11.480 ( 3.318 1.598 -9.387) 10.083 11.499 ( -0.941 1.408 8.770) 8.932 11.589 ( -0.011 2.450 -0.895) 2.609 11.630 ( -3.734 1.782 1.053) 4.270 11.724 ( 1.878 0.603 0.189) 1.981 11.757 ( -1.521 0.427 0.840) 1.789 11.892 ( 1.310 -1.118 -0.670) 1.848 11.904 ( -0.035 -1.061 0.280) 1.098 12.613 ( 2.944 2.258 4.554) 5.874 12.703 ( -3.744 0.480 -5.194) 6.421 12.727 ( 4.615 5.314 4.881) 8.565 12.856 ( -5.624 3.681 -5.641) 8.775 13.285 ( 3.177 -1.407 -2.187) 4.106 13.334 ( -2.473 -2.939 3.646) 5.296 13.505 ( 1.653 -12.186 -0.552) 12.310 13.525 ( -0.278 -11.677 0.279) 11.684 14.194 ( 1.433 1.094 1.822) 2.564 14.244 ( -2.066 -0.521 -1.939) 2.881 14.333 ( 1.954 3.099 3.526) 5.085 14.409 ( -4.143 1.021 -3.793) 5.709 14.549 ( 3.576 5.837 3.311) 7.604 14.632 ( -3.685 4.807 -3.314) 6.905 14.893 ( 2.659 -0.677 1.631) 3.192 14.920 ( 0.313 -0.494 -0.836) 1.021 20.537 ( 1.771 -0.143 3.261) 3.714 20.561 ( 0.465 -1.037 -0.148) 1.146 20.791 ( -1.194 0.452 -2.239) 2.577 20.814 ( -3.138 -0.393 -2.072) 3.781 20.914 ( 5.562 1.751 0.075) 5.831 20.972 ( 1.786 0.707 0.937) 2.137 21.100 ( -0.784 0.544 2.093) 2.300 21.124 ( -0.835 -0.671 -0.516) 1.190 21.215 ( -0.039 2.610 1.085) 2.827 21.237 ( -1.441 2.385 -0.898) 2.928 21.629 ( 1.248 -3.345 0.543) 3.611 21.670 ( -2.129 -3.755 -1.185) 4.476 22.048 ( 4.176 -1.169 1.830) 4.707 22.109 ( 0.556 -3.234 0.084) 3.282 22.185 ( 0.081 2.892 -1.514) 3.266 22.233 ( -2.709 1.052 -0.954) 3.059 22.882 ( -0.228 0.878 -1.842) 2.054 22.892 ( -1.596 0.629 1.003) 1.987 23.074 ( 0.447 -0.466 -0.386) 0.752 23.089 ( -1.058 -0.696 0.727) 1.460 23.391 ( 0.052 1.557 0.478) 1.630 23.398 ( -0.400 1.349 -0.312) 1.442 23.478 ( 0.954 -1.655 -2.780) 3.373 23.500 ( -1.776 -2.497 2.387) 3.884 23.939 ( 0.487 -0.768 -0.488) 1.032 23.962 ( -1.854 -1.792 -0.208) 2.587 24.116 ( 2.714 5.559 0.487) 6.205 24.160 ( -1.605 5.965 -0.213) 6.181 24.327 ( 4.150 -2.488 -3.036) 5.713 24.402 ( -3.677 -3.412 4.514) 6.749 24.544 ( 1.813 1.105 2.255) 3.098 24.604 ( -2.436 -1.175 -2.516) 3.694 ======================= Grid point 112 (61/63) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.000 -0.000 -0.000) 0.000 0.909 ( -0.000 0.000 -0.000) 0.000 0.937 ( 0.000 0.000 0.000) 0.000 0.937 ( 0.000 -0.000 0.000) 0.000 1.037 ( -0.000 0.000 0.000) 0.000 1.037 ( -0.000 0.000 0.000) 0.000 1.162 ( -0.000 0.000 0.000) 0.000 1.162 ( 0.000 0.000 0.000) 0.000 1.286 ( -0.000 0.000 -0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.318 ( 0.000 0.000 0.000) 0.000 1.318 ( -0.000 0.000 0.000) 0.000 1.364 ( -0.000 0.000 0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.412 ( -0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.626 ( 0.000 0.000 0.000) 0.000 1.730 ( 0.000 -0.000 0.000) 0.000 1.730 ( -0.000 0.000 0.000) 0.000 1.782 ( -0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 -0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 1.950 ( -0.000 0.000 0.000) 0.000 1.950 ( -0.000 0.000 0.000) 0.000 2.009 ( -0.000 -0.000 -0.000) 0.000 2.009 ( -0.000 0.000 0.000) 0.000 2.259 ( 0.000 -0.000 0.000) 0.000 2.259 ( -0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 -0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.595 ( -0.000 -0.000 -0.000) 0.000 2.595 ( 0.000 0.000 -0.000) 0.000 2.824 ( -0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 2.963 ( -0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.105 ( -0.000 0.000 0.000) 0.000 3.154 ( -0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.257 ( -0.000 0.000 0.000) 0.000 3.257 ( -0.000 0.000 0.000) 0.000 3.542 ( -0.000 0.000 0.000) 0.000 3.542 ( -0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.722 ( -0.000 -0.000 0.000) 0.000 3.722 ( -0.000 0.000 0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 3.818 ( -0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.018 ( -0.000 0.000 0.000) 0.000 4.107 ( 0.000 -0.000 0.000) 0.000 4.107 ( -0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.627 ( -0.000 0.000 0.000) 0.000 4.627 ( -0.000 0.000 0.000) 0.000 4.676 ( -0.000 -0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 5.161 ( -0.000 0.000 0.000) 0.000 5.161 ( -0.000 0.000 0.000) 0.000 5.326 ( -0.000 0.000 0.000) 0.000 5.326 ( -0.000 0.000 0.000) 0.000 5.661 ( -0.000 0.000 0.000) 0.000 5.661 ( -0.000 0.000 0.000) 0.000 5.918 ( 0.000 -0.000 0.000) 0.000 5.918 ( 0.000 0.000 0.000) 0.000 6.541 ( -0.000 -0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 6.590 ( -0.000 0.000 0.000) 0.000 7.197 ( -0.000 0.000 0.000) 0.000 7.197 ( -0.000 0.000 0.000) 0.000 7.424 ( -0.000 0.000 0.000) 0.000 7.424 ( -0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.828 ( -0.000 0.000 0.000) 0.000 7.828 ( -0.000 0.000 0.000) 0.000 8.149 ( -0.000 0.000 0.000) 0.000 8.149 ( -0.000 0.000 0.000) 0.000 8.311 ( -0.000 0.000 0.000) 0.000 8.311 ( -0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 9.164 ( -0.000 0.000 0.000) 0.000 9.164 ( -0.000 0.000 0.000) 0.000 9.590 ( 0.000 0.000 0.000) 0.000 9.590 ( 0.000 0.000 0.000) 0.000 10.087 ( -0.000 0.000 0.000) 0.000 10.087 ( -0.000 0.000 0.000) 0.000 10.200 ( -0.000 -0.000 0.000) 0.000 10.200 ( -0.000 0.000 0.000) 0.000 10.355 ( -0.000 0.000 0.000) 0.000 10.355 ( -0.000 0.000 0.000) 0.000 11.471 ( -0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.663 ( -0.000 0.000 0.000) 0.000 11.663 ( 0.000 0.000 0.000) 0.000 11.772 ( -0.000 0.000 0.000) 0.000 11.772 ( -0.000 0.000 0.000) 0.000 11.852 ( -0.000 0.000 0.000) 0.000 11.852 ( 0.000 0.000 0.000) 0.000 12.600 ( 0.000 0.000 0.000) 0.000 12.600 ( 0.000 0.000 0.000) 0.000 12.943 ( -0.000 0.000 0.000) 0.000 12.943 ( -0.000 0.000 0.000) 0.000 13.256 ( -0.000 0.000 0.000) 0.000 13.256 ( -0.000 0.000 0.000) 0.000 13.355 ( -0.000 0.000 0.000) 0.000 13.355 ( -0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.216 ( -0.000 0.000 0.000) 0.000 14.485 ( -0.000 0.000 0.000) 0.000 14.485 ( -0.000 0.000 0.000) 0.000 14.663 ( -0.000 0.000 0.000) 0.000 14.663 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 14.806 ( -0.000 0.000 0.000) 0.000 20.519 ( -0.000 0.000 0.000) 0.000 20.519 ( 0.000 0.000 0.000) 0.000 20.745 ( 0.000 0.000 0.000) 0.000 20.745 ( 0.000 0.000 0.000) 0.000 20.931 ( -0.000 0.000 0.000) 0.000 20.931 ( -0.000 0.000 0.000) 0.000 21.111 ( 0.000 0.000 -0.000) 0.000 21.111 ( 0.000 0.000 0.000) 0.000 21.282 ( -0.000 0.000 0.000) 0.000 21.282 ( 0.000 0.000 0.000) 0.000 21.679 ( -0.000 0.000 0.000) 0.000 21.679 ( -0.000 0.000 0.000) 0.000 21.930 ( 0.000 0.000 0.000) 0.000 21.930 ( 0.000 0.000 0.000) 0.000 22.287 ( -0.000 0.000 0.000) 0.000 22.287 ( -0.000 0.000 0.000) 0.000 22.962 ( 0.000 0.000 0.000) 0.000 22.962 ( -0.000 0.000 0.000) 0.000 23.068 ( 0.000 0.000 0.000) 0.000 23.068 ( 0.000 0.000 0.000) 0.000 23.424 ( -0.000 0.000 0.000) 0.000 23.424 ( 0.000 0.000 0.000) 0.000 23.487 ( 0.000 0.000 0.000) 0.000 23.487 ( 0.000 0.000 0.000) 0.000 24.030 ( -0.000 0.000 0.000) 0.000 24.030 ( 0.000 0.000 0.000) 0.000 24.055 ( 0.000 0.000 0.000) 0.000 24.055 ( -0.000 0.000 0.000) 0.000 24.345 ( 0.000 0.000 0.000) 0.000 24.345 ( -0.000 0.000 0.000) 0.000 24.613 ( -0.000 0.000 0.000) 0.000 24.613 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 116 (62/63) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -2.214 -6.085 -0.407) 6.488 0.845 ( -2.214 6.085 -0.407) 6.488 0.962 ( -0.548 -3.555 1.726) 3.990 0.962 ( -0.548 3.555 1.726) 3.990 1.060 ( 3.250 -4.110 -7.547) 9.187 1.060 ( 3.250 4.110 -7.547) 9.187 1.203 ( 1.540 -2.776 3.036) 4.392 1.203 ( 1.539 2.776 3.036) 4.392 1.250 ( -2.076 -3.338 -1.146) 4.094 1.250 ( -2.076 3.338 -1.146) 4.094 1.280 ( -2.479 -1.956 2.420) 3.978 1.280 ( -2.479 1.956 2.420) 3.978 1.358 ( 0.010 -0.692 2.327) 2.428 1.358 ( 0.010 0.692 2.327) 2.428 1.454 ( 1.646 -3.499 1.708) 4.227 1.454 ( 1.646 3.499 1.708) 4.227 1.603 ( -1.323 -0.798 -3.167) 3.524 1.603 ( -1.323 0.798 -3.167) 3.524 1.673 ( -5.300 -2.043 0.220) 5.684 1.673 ( -5.300 2.043 0.220) 5.684 1.793 ( 0.452 -2.056 -0.597) 2.188 1.793 ( 0.452 2.056 -0.597) 2.188 1.907 ( 0.136 -3.245 0.498) 3.285 1.907 ( 0.136 3.245 0.498) 3.285 1.967 ( 0.816 -0.323 -2.386) 2.542 1.967 ( 0.816 0.323 -2.386) 2.542 2.010 ( 1.485 -2.307 -0.217) 2.752 2.010 ( 1.485 2.307 -0.217) 2.752 2.263 ( 0.265 -0.475 0.909) 1.059 2.263 ( 0.265 0.475 0.909) 1.059 2.364 ( -0.003 -3.019 -0.160) 3.023 2.364 ( -0.003 3.019 -0.160) 3.023 2.545 ( -0.227 -6.564 -3.038) 7.237 2.545 ( -0.227 6.564 -3.038) 7.237 2.592 ( -1.686 -6.077 3.851) 7.390 2.592 ( -1.686 6.077 3.851) 7.390 2.851 ( 1.899 -0.627 1.343) 2.409 2.851 ( 1.899 0.627 1.343) 2.409 2.973 ( 1.483 -4.731 1.607) 5.212 2.973 ( 1.483 4.731 1.607) 5.212 3.094 ( -0.660 -1.656 -1.323) 2.220 3.094 ( -0.660 1.656 -1.323) 2.220 3.223 ( 4.908 -3.008 -5.636) 8.056 3.223 ( 4.908 3.008 -5.636) 8.056 3.285 ( 2.957 -0.836 4.218) 5.219 3.285 ( 2.957 0.836 4.218) 5.219 3.459 ( -3.687 -3.487 -3.013) 5.901 3.459 ( -3.687 3.487 -3.013) 5.901 3.622 ( 2.186 -2.071 -0.522) 3.056 3.622 ( 2.186 2.071 -0.522) 3.056 3.743 ( 1.726 -2.724 0.100) 3.226 3.743 ( 1.726 2.724 0.100) 3.226 3.804 ( -1.599 -3.122 0.759) 3.589 3.804 ( -1.599 3.122 0.759) 3.589 4.010 ( -0.725 -0.701 -0.093) 1.013 4.010 ( -0.725 0.701 -0.093) 1.013 4.089 ( -1.254 -1.611 4.401) 4.851 4.089 ( -1.254 1.611 4.401) 4.851 4.186 ( 4.566 -2.545 -1.344) 5.397 4.186 ( 4.566 2.545 -1.344) 5.397 4.633 ( 0.809 -3.294 -0.664) 3.456 4.633 ( 0.809 3.294 -0.664) 3.456 4.680 ( 0.072 -4.695 0.367) 4.710 4.680 ( 0.072 4.695 0.367) 4.710 5.147 ( -0.671 -1.518 0.387) 1.704 5.147 ( -0.671 1.518 0.387) 1.704 5.325 ( -0.889 -1.221 -0.067) 1.511 5.325 ( -0.889 1.221 -0.067) 1.511 5.622 ( -3.020 -2.130 -1.112) 3.859 5.622 ( -3.020 2.130 -1.112) 3.859 5.928 ( 0.694 -0.028 0.766) 1.033 5.928 ( 0.694 0.028 0.766) 1.033 6.537 ( -0.525 -1.792 1.818) 2.606 6.537 ( -0.525 1.792 1.818) 2.606 6.585 ( -0.229 -2.945 -1.512) 3.319 6.585 ( -0.229 2.945 -1.512) 3.319 7.222 ( 2.293 -1.640 0.526) 2.868 7.222 ( 2.293 1.640 0.526) 2.868 7.397 ( -2.323 -3.594 0.757) 4.346 7.397 ( -2.323 3.594 0.757) 4.346 7.576 ( 3.014 -5.056 -0.704) 5.928 7.576 ( 3.014 5.056 -0.704) 5.928 7.802 ( -2.344 -1.192 -0.449) 2.668 7.802 ( -2.344 1.192 -0.449) 2.668 8.152 ( 0.465 -0.096 -0.674) 0.824 8.152 ( 0.465 0.096 -0.674) 0.824 8.324 ( 0.952 -1.627 0.836) 2.061 8.324 ( 0.952 1.627 0.836) 2.061 8.800 ( 0.533 -1.828 -0.166) 1.911 8.800 ( 0.533 1.828 -0.166) 1.911 9.145 ( -1.785 -0.139 0.297) 1.815 9.145 ( -1.785 0.139 0.297) 1.815 9.593 ( 0.336 -2.064 -0.021) 2.091 9.593 ( 0.336 2.064 -0.021) 2.091 10.064 ( -1.977 -2.063 -1.423) 3.192 10.064 ( -1.977 2.063 -1.423) 3.192 10.202 ( 0.268 -0.416 0.433) 0.658 10.202 ( 0.268 0.416 0.433) 0.658 10.350 ( -0.490 -0.877 0.395) 1.080 10.350 ( -0.490 0.877 0.395) 1.080 11.480 ( 1.373 -0.840 -2.329) 2.831 11.480 ( 1.373 0.840 -2.329) 2.831 11.666 ( -0.207 -1.622 -0.683) 1.772 11.666 ( -0.207 1.622 -0.683) 1.772 11.751 ( -1.441 -1.965 2.640) 3.592 11.751 ( -1.441 1.965 2.640) 3.592 11.868 ( 0.966 -1.081 0.362) 1.494 11.868 ( 0.966 1.081 0.362) 1.494 12.625 ( 1.742 -2.559 3.530) 4.695 12.625 ( 1.742 2.559 3.530) 4.695 12.915 ( -1.682 -5.860 -5.139) 7.973 12.915 ( -1.682 5.860 -5.139) 7.973 13.264 ( 0.326 -2.962 2.302) 3.765 13.264 ( 0.326 2.962 2.302) 3.765 13.357 ( 0.210 -1.800 -0.532) 1.889 13.357 ( 0.210 1.800 -0.532) 1.889 14.216 ( 0.027 -1.568 0.308) 1.598 14.216 ( 0.027 1.568 0.308) 1.598 14.447 ( -3.355 -4.210 -0.100) 5.385 14.447 ( -3.355 4.210 -0.100) 5.385 14.661 ( 0.433 -7.163 -1.157) 7.269 14.661 ( 0.433 7.163 -1.157) 7.269 14.847 ( 2.900 -3.323 0.901) 4.501 14.847 ( 2.900 3.323 0.901) 4.501 20.520 ( 0.258 -0.976 1.594) 1.887 20.520 ( 0.258 0.976 1.594) 1.887 20.814 ( 5.272 -1.605 -0.486) 5.532 20.814 ( 5.272 1.605 -0.486) 5.532 20.892 ( -2.480 -0.550 -0.787) 2.659 20.892 ( -2.480 0.550 -0.787) 2.659 21.116 ( -0.025 -0.430 1.552) 1.610 21.116 ( -0.025 0.430 1.552) 1.610 21.280 ( -0.227 -1.330 -0.602) 1.477 21.280 ( -0.227 1.330 -0.602) 1.477 21.644 ( -2.732 -2.728 -0.491) 3.892 21.644 ( -2.732 2.728 -0.491) 3.892 21.980 ( 3.929 -2.210 0.778) 4.575 21.980 ( 3.929 2.210 0.778) 4.575 22.269 ( -1.488 -1.229 -1.343) 2.351 22.269 ( -1.488 1.229 -1.343) 2.351 22.933 ( -2.197 -0.670 -0.329) 2.320 22.933 ( -2.197 0.670 -0.329) 2.320 23.075 ( 0.235 -0.961 0.199) 1.009 23.075 ( 0.235 0.961 0.199) 1.009 23.425 ( 0.045 -0.284 0.312) 0.424 23.425 ( 0.045 0.284 0.312) 0.424 23.472 ( -1.155 -0.850 -0.723) 1.606 23.472 ( -1.155 0.850 -0.723) 1.606 23.971 ( -2.456 -1.607 -0.794) 3.041 23.971 ( -2.456 1.607 -0.794) 3.041 24.140 ( 5.055 -3.656 0.122) 6.239 24.140 ( 5.055 3.656 0.122) 6.239 24.334 ( -1.332 -3.640 1.365) 4.109 24.334 ( -1.332 3.640 1.365) 4.109 24.599 ( -1.262 -2.091 0.094) 2.444 24.599 ( -1.262 2.091 0.094) 2.444 ======================= Grid point 118 (63/63) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 1.026 -5.589 0.416) 5.698 0.841 ( 1.026 5.589 0.416) 5.698 0.950 ( -0.765 -4.639 0.395) 4.718 0.950 ( -0.765 4.639 0.395) 4.718 1.090 ( 1.701 -2.542 -4.798) 5.690 1.090 ( 1.701 2.542 -4.798) 5.690 1.194 ( -0.998 -1.255 2.193) 2.717 1.194 ( -0.998 1.255 2.193) 2.717 1.214 ( -1.923 -3.292 0.178) 3.816 1.214 ( -1.923 3.292 0.178) 3.816 1.289 ( 1.882 -1.949 0.767) 2.816 1.290 ( 1.882 1.949 0.767) 2.816 1.379 ( 0.077 -1.089 0.784) 1.343 1.379 ( 0.077 1.089 0.784) 1.343 1.472 ( 0.338 -3.895 5.302) 6.587 1.472 ( 0.338 3.895 5.302) 6.587 1.543 ( -3.978 -1.985 -3.325) 5.551 1.543 ( -3.978 1.985 -3.325) 5.551 1.590 ( -0.958 -1.732 -2.715) 3.359 1.590 ( -0.958 1.732 -2.715) 3.359 1.787 ( -0.637 -2.663 0.312) 2.756 1.787 ( -0.637 2.663 0.312) 2.756 1.895 ( -0.347 -1.826 -1.278) 2.256 1.895 ( -0.347 1.826 -1.278) 2.256 1.986 ( 0.780 -0.507 0.609) 1.111 1.986 ( 0.780 0.507 0.609) 1.111 2.047 ( 1.625 -1.012 -0.907) 2.119 2.047 ( 1.625 1.012 -0.907) 2.119 2.274 ( 0.500 -0.624 0.589) 0.994 2.274 ( 0.500 0.624 0.589) 0.994 2.358 ( -0.602 -2.535 0.145) 2.609 2.358 ( -0.602 2.535 0.145) 2.609 2.542 ( 0.635 -4.517 -2.716) 5.309 2.542 ( 0.635 4.517 -2.716) 5.309 2.564 ( -1.626 -5.013 3.114) 6.122 2.564 ( -1.626 5.013 3.114) 6.122 2.887 ( 0.974 -0.619 1.314) 1.748 2.887 ( 0.974 0.619 1.314) 1.748 3.012 ( 1.281 -3.155 -1.076) 3.571 3.012 ( 1.281 3.155 -1.076) 3.571 3.092 ( 0.875 -1.811 0.269) 2.029 3.092 ( 0.875 1.811 0.269) 2.029 3.262 ( 0.758 -0.884 2.201) 2.490 3.262 ( 0.758 0.884 2.201) 2.490 3.312 ( -1.569 -0.814 -5.069) 5.368 3.312 ( -1.569 0.814 -5.069) 5.368 3.459 ( 3.006 -0.838 1.454) 3.443 3.459 ( 3.006 0.838 1.454) 3.443 3.662 ( 3.017 -3.141 -1.294) 4.544 3.662 ( 3.017 3.141 -1.294) 4.544 3.750 ( -2.952 -2.832 0.159) 4.095 3.750 ( -2.952 2.832 0.159) 4.095 3.772 ( -0.158 -0.903 0.457) 1.024 3.772 ( -0.158 0.903 0.457) 1.024 4.003 ( 0.256 -1.114 -0.789) 1.390 4.003 ( 0.256 1.114 -0.789) 1.390 4.081 ( -0.856 -1.031 3.085) 3.363 4.081 ( -0.856 1.031 3.085) 3.363 4.262 ( 2.446 -1.184 -0.300) 2.734 4.262 ( 2.446 1.184 -0.300) 2.734 4.652 ( 1.074 -5.460 -0.068) 5.565 4.652 ( 1.074 5.460 -0.068) 5.565 4.675 ( -0.543 -6.268 -0.497) 6.311 4.675 ( -0.543 6.268 -0.497) 6.311 5.171 ( 3.226 -4.219 1.324) 5.473 5.171 ( 3.226 4.219 1.324) 5.473 5.266 ( -4.753 -4.436 -0.877) 6.560 5.266 ( -4.753 4.436 -0.877) 6.560 5.571 ( -1.270 -0.994 -0.658) 1.742 5.571 ( -1.270 0.994 -0.658) 1.742 5.942 ( 0.376 -0.012 0.424) 0.567 5.942 ( 0.376 0.012 0.424) 0.567 6.537 ( -0.129 -1.649 1.664) 2.346 6.537 ( -0.129 1.649 1.664) 2.346 6.573 ( -0.264 -2.372 -1.478) 2.807 6.573 ( -0.264 2.372 -1.478) 2.807 7.281 ( 3.210 -2.417 0.383) 4.036 7.281 ( 3.210 2.417 0.383) 4.036 7.346 ( -2.917 -3.018 0.332) 4.210 7.346 ( -2.917 3.018 0.332) 4.210 7.635 ( 2.564 -3.608 -0.312) 4.437 7.635 ( 2.564 3.608 -0.312) 4.437 7.746 ( -2.535 -1.843 -0.317) 3.150 7.746 ( -2.535 1.843 -0.317) 3.150 8.161 ( 0.393 -0.087 -0.368) 0.545 8.161 ( 0.393 0.087 -0.368) 0.545 8.343 ( 0.481 -1.020 0.469) 1.222 8.343 ( 0.481 1.020 0.469) 1.222 8.813 ( 0.559 -1.329 -0.117) 1.447 8.813 ( 0.559 1.329 -0.117) 1.447 9.110 ( -1.315 -0.222 0.206) 1.349 9.110 ( -1.315 0.222 0.206) 1.349 9.601 ( 0.327 -1.393 -0.007) 1.430 9.601 ( 0.327 1.393 -0.007) 1.430 10.019 ( -1.466 -1.503 -0.759) 2.232 10.019 ( -1.466 1.503 -0.759) 2.232 10.211 ( 0.335 -0.193 0.178) 0.426 10.211 ( 0.335 0.193 0.178) 0.426 10.342 ( -0.307 -0.493 0.201) 0.614 10.342 ( -0.307 0.493 0.201) 0.614 11.505 ( 1.435 -0.687 -1.653) 2.294 11.505 ( 1.435 0.687 -1.653) 2.294 11.639 ( -1.593 -1.464 -0.033) 2.164 11.639 ( -1.593 1.464 -0.033) 2.164 11.752 ( 0.273 -1.403 1.402) 2.002 11.752 ( 0.273 1.403 1.402) 2.002 11.882 ( 0.291 -0.565 0.274) 0.692 11.882 ( 0.291 0.565 0.274) 0.692 12.678 ( 1.662 -2.782 3.645) 4.877 12.678 ( 1.662 2.782 3.645) 4.877 12.859 ( -1.604 -4.598 -4.519) 6.643 12.859 ( -1.604 4.598 -4.519) 6.643 13.278 ( 0.287 -1.409 1.308) 1.944 13.278 ( 0.287 1.409 1.308) 1.944 13.358 ( -0.001 -1.164 -0.323) 1.208 13.358 ( -0.001 1.164 -0.323) 1.208 14.222 ( 0.324 -1.373 0.358) 1.455 14.222 ( 0.324 1.373 0.358) 1.455 14.383 ( -2.105 -2.041 -0.457) 2.967 14.383 ( -2.105 2.041 -0.457) 2.967 14.670 ( 0.450 -2.737 -0.269) 2.787 14.670 ( 0.450 2.737 -0.269) 2.787 14.896 ( 1.345 -1.291 0.332) 1.893 14.896 ( 1.345 1.291 0.332) 1.893 20.542 ( 0.970 -0.632 1.331) 1.764 20.542 ( 0.970 0.632 1.331) 1.764 20.803 ( -2.180 -0.588 -1.963) 2.992 20.803 ( -2.180 0.588 -1.963) 2.992 20.957 ( 4.580 -1.879 1.053) 5.061 20.957 ( 4.580 1.879 1.053) 5.061 21.112 ( -0.766 -0.517 1.014) 1.371 21.112 ( -0.766 0.517 1.014) 1.371 21.268 ( -0.625 -0.964 -0.466) 1.240 21.268 ( -0.625 0.964 -0.466) 1.240 21.594 ( -1.573 -1.635 -0.453) 2.314 21.594 ( -1.573 1.635 -0.453) 2.314 22.055 ( 2.512 -1.589 0.827) 3.086 22.055 ( 2.512 1.589 0.827) 3.086 22.231 ( -1.420 -1.209 -1.210) 2.223 22.231 ( -1.420 1.209 -1.210) 2.223 22.897 ( -0.956 -0.313 -0.200) 1.026 22.897 ( -0.956 0.313 -0.200) 1.026 23.074 ( -0.235 -0.503 0.115) 0.567 23.074 ( -0.235 0.503 0.115) 0.567 23.428 ( 0.181 -0.618 0.028) 0.645 23.428 ( 0.181 0.618 0.028) 0.645 23.448 ( -0.811 -1.035 -0.238) 1.336 23.448 ( -0.811 1.035 -0.238) 1.336 23.937 ( -0.781 -0.563 -0.378) 1.034 23.937 ( -0.781 0.563 -0.378) 1.034 24.234 ( 4.151 -4.340 -1.078) 6.102 24.234 ( 4.151 4.340 -1.078) 6.102 24.302 ( -2.485 -5.072 1.924) 5.967 24.302 ( -2.485 5.072 1.924) 5.967 24.574 ( -0.908 -1.528 -0.027) 1.777 24.574 ( -0.908 1.528 -0.027) 1.777 =================== 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 3/24960 10.0 10.016 8.149 10.920 0.000 2.219 0.000 3/24960 20.0 3.097 2.599 4.551 0.000 0.170 0.000 3/24960 30.0 1.788 1.548 2.965 0.000 -0.023 0.000 3/24960 40.0 1.262 1.121 2.222 0.000 -0.061 0.000 3/24960 50.0 0.980 0.889 1.786 0.000 -0.067 0.000 3/24960 60.0 0.804 0.743 1.498 0.000 -0.066 0.000 3/24960 70.0 0.683 0.642 1.296 0.000 -0.063 0.000 3/24960 80.0 0.595 0.568 1.146 0.000 -0.060 0.000 3/24960 90.0 0.527 0.512 1.031 0.000 -0.057 0.000 3/24960 100.0 0.474 0.467 0.939 0.000 -0.054 0.000 3/24960 110.0 0.431 0.430 0.864 0.000 -0.051 0.000 3/24960 120.0 0.395 0.400 0.802 0.000 -0.049 0.000 3/24960 130.0 0.365 0.374 0.749 0.000 -0.046 0.000 3/24960 140.0 0.339 0.352 0.703 0.000 -0.044 0.000 3/24960 150.0 0.317 0.332 0.663 0.000 -0.042 0.000 3/24960 160.0 0.298 0.315 0.628 0.000 -0.041 0.000 3/24960 170.0 0.282 0.300 0.597 0.000 -0.039 0.000 3/24960 180.0 0.267 0.287 0.569 0.000 -0.037 0.000 3/24960 190.0 0.253 0.274 0.544 0.000 -0.036 0.000 3/24960 200.0 0.242 0.263 0.522 0.000 -0.035 0.000 3/24960 210.0 0.231 0.253 0.501 0.000 -0.033 0.000 3/24960 220.0 0.221 0.244 0.482 0.000 -0.032 0.000 3/24960 230.0 0.212 0.235 0.464 0.000 -0.031 0.000 3/24960 240.0 0.204 0.227 0.448 0.000 -0.030 0.000 3/24960 250.0 0.197 0.220 0.433 0.000 -0.029 0.000 3/24960 260.0 0.190 0.213 0.419 0.000 -0.028 0.000 3/24960 270.0 0.183 0.207 0.406 0.000 -0.027 0.000 3/24960 280.0 0.177 0.201 0.394 0.000 -0.027 0.000 3/24960 290.0 0.172 0.195 0.383 0.000 -0.026 0.000 3/24960 300.0 0.167 0.190 0.372 0.000 -0.025 0.000 3/24960 310.0 0.162 0.184 0.362 0.000 -0.025 0.000 3/24960 320.0 0.157 0.180 0.352 0.000 -0.024 0.000 3/24960 330.0 0.153 0.175 0.343 0.000 -0.023 0.000 3/24960 340.0 0.149 0.171 0.334 0.000 -0.023 0.000 3/24960 350.0 0.145 0.167 0.326 0.000 -0.022 0.000 3/24960 360.0 0.141 0.163 0.318 0.000 -0.022 0.000 3/24960 370.0 0.138 0.159 0.311 0.000 -0.021 0.000 3/24960 380.0 0.135 0.155 0.304 0.000 -0.021 0.000 3/24960 390.0 0.131 0.152 0.297 0.000 -0.020 0.000 3/24960 400.0 0.128 0.149 0.291 0.000 -0.020 0.000 3/24960 410.0 0.126 0.146 0.284 0.000 -0.019 0.000 3/24960 420.0 0.123 0.143 0.278 0.000 -0.019 0.000 3/24960 430.0 0.120 0.140 0.273 0.000 -0.018 0.000 3/24960 440.0 0.118 0.137 0.267 0.000 -0.018 0.000 3/24960 450.0 0.115 0.134 0.262 0.000 -0.018 0.000 3/24960 460.0 0.113 0.132 0.257 0.000 -0.017 0.000 3/24960 470.0 0.111 0.129 0.252 0.000 -0.017 0.000 3/24960 480.0 0.109 0.127 0.247 0.000 -0.017 0.000 3/24960 490.0 0.107 0.124 0.243 0.000 -0.016 0.000 3/24960 500.0 0.105 0.122 0.238 0.000 -0.016 0.000 3/24960 510.0 0.103 0.120 0.234 0.000 -0.016 0.000 3/24960 520.0 0.101 0.118 0.230 0.000 -0.016 0.000 3/24960 530.0 0.099 0.116 0.226 0.000 -0.015 0.000 3/24960 540.0 0.097 0.114 0.222 0.000 -0.015 0.000 3/24960 550.0 0.096 0.112 0.218 0.000 -0.015 0.000 3/24960 560.0 0.094 0.110 0.215 0.000 -0.015 0.000 3/24960 570.0 0.092 0.109 0.211 0.000 -0.014 0.000 3/24960 580.0 0.091 0.107 0.208 0.000 -0.014 0.000 3/24960 590.0 0.090 0.105 0.205 0.000 -0.014 0.000 3/24960 600.0 0.088 0.104 0.202 0.000 -0.014 0.000 3/24960 610.0 0.087 0.102 0.199 0.000 -0.013 0.000 3/24960 620.0 0.085 0.101 0.196 0.000 -0.013 0.000 3/24960 630.0 0.084 0.099 0.193 0.000 -0.013 0.000 3/24960 640.0 0.083 0.098 0.190 0.000 -0.013 0.000 3/24960 650.0 0.082 0.096 0.187 0.000 -0.013 0.000 3/24960 660.0 0.081 0.095 0.185 0.000 -0.012 0.000 3/24960 670.0 0.079 0.094 0.182 0.000 -0.012 0.000 3/24960 680.0 0.078 0.092 0.179 0.000 -0.012 0.000 3/24960 690.0 0.077 0.091 0.177 0.000 -0.012 0.000 3/24960 700.0 0.076 0.090 0.175 0.000 -0.012 0.000 3/24960 710.0 0.075 0.089 0.172 0.000 -0.012 0.000 3/24960 720.0 0.074 0.087 0.170 0.000 -0.011 0.000 3/24960 730.0 0.073 0.086 0.168 0.000 -0.011 0.000 3/24960 740.0 0.072 0.085 0.166 0.000 -0.011 0.000 3/24960 750.0 0.071 0.084 0.164 0.000 -0.011 0.000 3/24960 760.0 0.070 0.083 0.162 0.000 -0.011 0.000 3/24960 770.0 0.070 0.082 0.160 0.000 -0.011 0.000 3/24960 780.0 0.069 0.081 0.158 0.000 -0.011 0.000 3/24960 790.0 0.068 0.080 0.156 0.000 -0.011 0.000 3/24960 800.0 0.067 0.079 0.154 0.000 -0.010 0.000 3/24960 810.0 0.066 0.078 0.152 0.000 -0.010 0.000 3/24960 820.0 0.065 0.077 0.150 0.000 -0.010 0.000 3/24960 830.0 0.065 0.076 0.149 0.000 -0.010 0.000 3/24960 840.0 0.064 0.076 0.147 0.000 -0.010 0.000 3/24960 850.0 0.063 0.075 0.145 0.000 -0.010 0.000 3/24960 860.0 0.062 0.074 0.144 0.000 -0.010 0.000 3/24960 870.0 0.062 0.073 0.142 0.000 -0.010 0.000 3/24960 880.0 0.061 0.072 0.140 0.000 -0.009 0.000 3/24960 890.0 0.060 0.072 0.139 0.000 -0.009 0.000 3/24960 900.0 0.060 0.071 0.137 0.000 -0.009 0.000 3/24960 910.0 0.059 0.070 0.136 0.000 -0.009 0.000 3/24960 920.0 0.059 0.069 0.135 0.000 -0.009 0.000 3/24960 930.0 0.058 0.069 0.133 0.000 -0.009 0.000 3/24960 940.0 0.057 0.068 0.132 0.000 -0.009 0.000 3/24960 950.0 0.057 0.067 0.130 0.000 -0.009 0.000 3/24960 960.0 0.056 0.067 0.129 0.000 -0.009 0.000 3/24960 970.0 0.056 0.066 0.128 0.000 -0.009 0.000 3/24960 980.0 0.055 0.065 0.127 0.000 -0.009 0.000 3/24960 990.0 0.055 0.065 0.125 0.000 -0.008 0.000 3/24960 1000.0 0.054 0.064 0.124 0.000 -0.008 0.000 3/24960 Thermal conductivity related properties were written into "kappa-m548.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:34:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|