----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:36:03]------------------------- 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: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.299389920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.204032920000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.931126469999999 Atomic positions (fractional): *1 Er 0.01155617130036 0.55378451755146 0.35848694357810 167.259 2 Er 0.51155617130036 0.94621548244854 0.64151305642190 167.259 3 Er 0.48844382869964 0.44621548244854 0.85848694357810 167.259 4 Er 0.48844382869964 0.05378451755146 0.35848694357810 167.259 5 Er 0.98844382869964 0.44621548244854 0.64151305642190 167.259 6 Er 0.51155617130036 0.55378451755146 0.14151305642190 167.259 7 Er 0.01155617130036 0.94621548244854 0.85848694357810 167.259 8 Er 0.98844382869964 0.05378451755146 0.14151305642190 167.259 *9 Ge 0.00548153047983 0.59541296326176 0.90261600493872 72.640 10 Ge 0.99451846952017 0.40458703673824 0.09738399506127 72.640 11 Ge 0.50548153047983 0.90458703673824 0.09738399506127 72.640 12 Ge 0.49451846952017 0.40458703673824 0.40261600493873 72.640 13 Ge 0.99451846952017 0.09541296326176 0.59738399506128 72.640 14 Ge 0.00548153047983 0.90458703673824 0.40261600493873 72.640 15 Ge 0.49451846952017 0.09541296326176 0.90261600493872 72.640 16 Ge 0.50548153047983 0.59541296326176 0.59738399506128 72.640 *17 Bi 0.53958651706773 0.23787237907855 0.14523017488081 208.980 18 Bi 0.03958651706773 0.26212762092144 0.85476982511919 208.980 19 Bi 0.53958651706773 0.26212762092144 0.64523017488081 208.980 20 Bi 0.46041348293226 0.73787237907855 0.35476982511919 208.980 21 Bi 0.96041348293227 0.76212762092145 0.64523017488081 208.980 22 Bi 0.46041348293226 0.76212762092145 0.85476982511919 208.980 23 Bi 0.96041348293227 0.73787237907855 0.14523017488081 208.980 24 Bi 0.03958651706773 0.23787237907855 0.35476982511919 208.980 *25 O 0.19558373316606 0.12571721389471 0.47460459014882 15.999 *26 O 0.25001822922040 0.84995571749854 0.73515945285590 15.999 27 O 0.69558373316606 0.12571721389471 0.02539540985118 15.999 28 O 0.74998177077960 0.15004428250146 0.26484054714410 15.999 *29 O 0.19845995819704 0.43888756128203 0.45948905770212 15.999 *30 O 0.93713646078885 0.30092862600956 0.16883111227422 15.999 31 O 0.80154004180296 0.56111243871797 0.54051094229788 15.999 32 O 0.93713646078885 0.19907137399044 0.66883111227422 15.999 33 O 0.19845995819704 0.06111243871797 0.95948905770212 15.999 34 O 0.74998177077960 0.34995571749854 0.76484054714410 15.999 35 O 0.80154004180296 0.93888756128203 0.04051094229788 15.999 36 O 0.06286353921115 0.80092862600956 0.33116888772578 15.999 37 O 0.24998177077960 0.34995571749854 0.73515945285590 15.999 *38 O 0.85103831895637 0.52101605517829 0.80666545746898 15.999 39 O 0.85103831895637 0.97898394482171 0.30666545746898 15.999 40 O 0.43713646078885 0.19907137399044 0.83116888772578 15.999 41 O 0.80441626683394 0.87428278610528 0.52539540985118 15.999 42 O 0.75001822922040 0.65004428250146 0.26484054714410 15.999 43 O 0.69845995819704 0.06111243871797 0.54051094229788 15.999 44 O 0.64896168104363 0.47898394482171 0.30666545746898 15.999 45 O 0.75001822922040 0.84995571749854 0.76484054714410 15.999 46 O 0.69558373316606 0.37428278610528 0.52539540985118 15.999 47 O 0.35103831895637 0.52101605517829 0.69333454253102 15.999 48 O 0.25001822922040 0.65004428250146 0.23515945285590 15.999 49 O 0.06286353921115 0.69907137399044 0.83116888772578 15.999 50 O 0.30154004180296 0.93888756128203 0.45948905770212 15.999 51 O 0.64896168104363 0.02101605517829 0.80666545746898 15.999 52 O 0.14896168104363 0.02101605517829 0.69333454253102 15.999 53 O 0.56286353921115 0.80092862600956 0.16883111227422 15.999 54 O 0.30441626683394 0.87428278610528 0.97460459014882 15.999 55 O 0.69845995819704 0.43888756128203 0.04051094229788 15.999 56 O 0.30441626683394 0.62571721389472 0.47460459014882 15.999 57 O 0.30154004180296 0.56111243871797 0.95948905770212 15.999 58 O 0.19558373316606 0.37428278610528 0.97460459014882 15.999 59 O 0.56286353921115 0.69907137399044 0.66883111227422 15.999 60 O 0.80441626683394 0.62571721389472 0.02539540985118 15.999 61 O 0.35103831895637 0.97898394482171 0.19333454253102 15.999 62 O 0.14896168104363 0.47898394482171 0.19333454253102 15.999 63 O 0.43713646078885 0.30092862600956 0.33116888772578 15.999 64 O 0.24998177077960 0.15004428250146 0.23515945285590 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.299389920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.204032920000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.931126469999999 Atomic positions (fractional): *1 Er 0.01155617130036 0.55378451755146 0.35848694357810 167.259 > 1 2 Er 0.51155617130036 0.94621548244854 0.64151305642190 167.259 > 2 3 Er 0.48844382869964 0.44621548244854 0.85848694357810 167.259 > 3 4 Er 0.48844382869964 0.05378451755146 0.35848694357810 167.259 > 4 5 Er 0.98844382869964 0.44621548244854 0.64151305642190 167.259 > 5 6 Er 0.51155617130036 0.55378451755146 0.14151305642190 167.259 > 6 7 Er 0.01155617130036 0.94621548244854 0.85848694357810 167.259 > 7 8 Er 0.98844382869964 0.05378451755146 0.14151305642190 167.259 > 8 *9 Ge 0.00548153047983 0.59541296326176 0.90261600493872 72.640 > 9 10 Ge 0.99451846952017 0.40458703673824 0.09738399506127 72.640 > 10 11 Ge 0.50548153047983 0.90458703673824 0.09738399506127 72.640 > 11 12 Ge 0.49451846952017 0.40458703673824 0.40261600493873 72.640 > 12 13 Ge 0.99451846952017 0.09541296326176 0.59738399506128 72.640 > 13 14 Ge 0.00548153047983 0.90458703673824 0.40261600493873 72.640 > 14 15 Ge 0.49451846952017 0.09541296326176 0.90261600493872 72.640 > 15 16 Ge 0.50548153047983 0.59541296326176 0.59738399506128 72.640 > 16 *17 Bi 0.53958651706773 0.23787237907855 0.14523017488081 208.980 > 17 18 Bi 0.03958651706773 0.26212762092144 0.85476982511919 208.980 > 18 19 Bi 0.53958651706773 0.26212762092144 0.64523017488081 208.980 > 19 20 Bi 0.46041348293226 0.73787237907855 0.35476982511919 208.980 > 20 21 Bi 0.96041348293227 0.76212762092145 0.64523017488081 208.980 > 21 22 Bi 0.46041348293226 0.76212762092145 0.85476982511919 208.980 > 22 23 Bi 0.96041348293227 0.73787237907855 0.14523017488081 208.980 > 23 24 Bi 0.03958651706773 0.23787237907855 0.35476982511919 208.980 > 24 *25 O 0.19558373316606 0.12571721389471 0.47460459014882 15.999 > 25 *26 O 0.25001822922040 0.84995571749854 0.73515945285590 15.999 > 26 27 O 0.69558373316606 0.12571721389471 0.02539540985118 15.999 > 27 28 O 0.74998177077960 0.15004428250146 0.26484054714410 15.999 > 28 *29 O 0.19845995819704 0.43888756128203 0.45948905770212 15.999 > 29 *30 O 0.93713646078885 0.30092862600956 0.16883111227422 15.999 > 30 31 O 0.80154004180296 0.56111243871797 0.54051094229788 15.999 > 31 32 O 0.93713646078885 0.19907137399044 0.66883111227422 15.999 > 32 33 O 0.19845995819704 0.06111243871797 0.95948905770212 15.999 > 33 34 O 0.74998177077960 0.34995571749854 0.76484054714410 15.999 > 34 35 O 0.80154004180296 0.93888756128203 0.04051094229788 15.999 > 35 36 O 0.06286353921115 0.80092862600956 0.33116888772578 15.999 > 36 37 O 0.24998177077960 0.34995571749854 0.73515945285590 15.999 > 37 *38 O 0.85103831895637 0.52101605517829 0.80666545746898 15.999 > 38 39 O 0.85103831895637 0.97898394482171 0.30666545746898 15.999 > 39 40 O 0.43713646078885 0.19907137399044 0.83116888772578 15.999 > 40 41 O 0.80441626683394 0.87428278610528 0.52539540985118 15.999 > 41 42 O 0.75001822922040 0.65004428250146 0.26484054714410 15.999 > 42 43 O 0.69845995819704 0.06111243871797 0.54051094229788 15.999 > 43 44 O 0.64896168104363 0.47898394482171 0.30666545746898 15.999 > 44 45 O 0.75001822922040 0.84995571749854 0.76484054714410 15.999 > 45 46 O 0.69558373316606 0.37428278610528 0.52539540985118 15.999 > 46 47 O 0.35103831895637 0.52101605517829 0.69333454253102 15.999 > 47 48 O 0.25001822922040 0.65004428250146 0.23515945285590 15.999 > 48 49 O 0.06286353921115 0.69907137399044 0.83116888772578 15.999 > 49 50 O 0.30154004180296 0.93888756128203 0.45948905770212 15.999 > 50 51 O 0.64896168104363 0.02101605517829 0.80666545746898 15.999 > 51 52 O 0.14896168104363 0.02101605517829 0.69333454253102 15.999 > 52 53 O 0.56286353921115 0.80092862600956 0.16883111227422 15.999 > 53 54 O 0.30441626683394 0.87428278610528 0.97460459014882 15.999 > 54 55 O 0.69845995819704 0.43888756128203 0.04051094229788 15.999 > 55 56 O 0.30441626683394 0.62571721389472 0.47460459014882 15.999 > 56 57 O 0.30154004180296 0.56111243871797 0.95948905770212 15.999 > 57 58 O 0.19558373316606 0.37428278610528 0.97460459014882 15.999 > 58 59 O 0.56286353921115 0.69907137399044 0.66883111227422 15.999 > 59 60 O 0.80441626683394 0.62571721389472 0.02539540985118 15.999 > 60 61 O 0.35103831895637 0.97898394482171 0.19333454253102 15.999 > 61 62 O 0.14896168104363 0.47898394482171 0.19333454253102 15.999 > 62 63 O 0.43713646078885 0.30092862600956 0.33116888772578 15.999 > 63 64 O 0.24998177077960 0.15004428250146 0.23515945285590 15.999 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.598779840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.204032920000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.931126469999999 Atomic positions (fractional): *1 Er 0.00577808565018 0.55378451755146 0.35848694357810 167.259 > 1 2 Er 0.50577808565018 0.55378451755146 0.35848694357810 167.259 > 1 3 Er 0.25577808565018 0.94621548244854 0.64151305642190 167.259 > 2 4 Er 0.75577808565018 0.94621548244854 0.64151305642190 167.259 > 2 5 Er 0.24422191434982 0.44621548244854 0.85848694357810 167.259 > 3 6 Er 0.74422191434982 0.44621548244854 0.85848694357810 167.259 > 3 7 Er 0.24422191434982 0.05378451755146 0.35848694357810 167.259 > 4 8 Er 0.74422191434982 0.05378451755146 0.35848694357810 167.259 > 4 9 Er 0.49422191434982 0.44621548244854 0.64151305642190 167.259 > 5 10 Er 0.99422191434982 0.44621548244854 0.64151305642190 167.259 > 5 11 Er 0.25577808565018 0.55378451755146 0.14151305642190 167.259 > 6 12 Er 0.75577808565018 0.55378451755146 0.14151305642190 167.259 > 6 13 Er 0.00577808565018 0.94621548244854 0.85848694357810 167.259 > 7 14 Er 0.50577808565018 0.94621548244854 0.85848694357810 167.259 > 7 15 Er 0.49422191434982 0.05378451755146 0.14151305642190 167.259 > 8 16 Er 0.99422191434982 0.05378451755146 0.14151305642190 167.259 > 8 *17 Ge 0.00274076523992 0.59541296326176 0.90261600493872 72.640 > 9 18 Ge 0.50274076523992 0.59541296326176 0.90261600493872 72.640 > 9 19 Ge 0.49725923476008 0.40458703673824 0.09738399506127 72.640 > 10 20 Ge 0.99725923476008 0.40458703673824 0.09738399506127 72.640 > 10 21 Ge 0.25274076523992 0.90458703673824 0.09738399506127 72.640 > 11 22 Ge 0.75274076523992 0.90458703673824 0.09738399506127 72.640 > 11 23 Ge 0.24725923476008 0.40458703673824 0.40261600493873 72.640 > 12 24 Ge 0.74725923476008 0.40458703673824 0.40261600493873 72.640 > 12 25 Ge 0.49725923476008 0.09541296326176 0.59738399506128 72.640 > 13 26 Ge 0.99725923476008 0.09541296326176 0.59738399506128 72.640 > 13 27 Ge 0.00274076523992 0.90458703673824 0.40261600493873 72.640 > 14 28 Ge 0.50274076523992 0.90458703673824 0.40261600493873 72.640 > 14 29 Ge 0.24725923476008 0.09541296326176 0.90261600493872 72.640 > 15 30 Ge 0.74725923476008 0.09541296326176 0.90261600493872 72.640 > 15 31 Ge 0.25274076523992 0.59541296326176 0.59738399506128 72.640 > 16 32 Ge 0.75274076523992 0.59541296326176 0.59738399506128 72.640 > 16 *33 Bi 0.26979325853387 0.23787237907855 0.14523017488081 208.980 > 17 34 Bi 0.76979325853387 0.23787237907855 0.14523017488081 208.980 > 17 35 Bi 0.01979325853387 0.26212762092144 0.85476982511919 208.980 > 18 36 Bi 0.51979325853387 0.26212762092144 0.85476982511919 208.980 > 18 37 Bi 0.26979325853387 0.26212762092144 0.64523017488081 208.980 > 19 38 Bi 0.76979325853387 0.26212762092144 0.64523017488081 208.980 > 19 39 Bi 0.23020674146613 0.73787237907855 0.35476982511919 208.980 > 20 40 Bi 0.73020674146613 0.73787237907855 0.35476982511919 208.980 > 20 41 Bi 0.48020674146613 0.76212762092145 0.64523017488081 208.980 > 21 42 Bi 0.98020674146613 0.76212762092145 0.64523017488081 208.980 > 21 43 Bi 0.23020674146613 0.76212762092145 0.85476982511919 208.980 > 22 44 Bi 0.73020674146613 0.76212762092145 0.85476982511919 208.980 > 22 45 Bi 0.48020674146613 0.73787237907855 0.14523017488081 208.980 > 23 46 Bi 0.98020674146613 0.73787237907855 0.14523017488081 208.980 > 23 47 Bi 0.01979325853387 0.23787237907855 0.35476982511919 208.980 > 24 48 Bi 0.51979325853387 0.23787237907855 0.35476982511919 208.980 > 24 *49 O 0.09779186658303 0.12571721389471 0.47460459014882 15.999 > 25 50 O 0.59779186658303 0.12571721389471 0.47460459014882 15.999 > 25 *51 O 0.12500911461020 0.84995571749854 0.73515945285590 15.999 > 26 52 O 0.62500911461020 0.84995571749854 0.73515945285590 15.999 > 26 53 O 0.34779186658303 0.12571721389471 0.02539540985118 15.999 > 27 54 O 0.84779186658303 0.12571721389471 0.02539540985118 15.999 > 27 55 O 0.37499088538980 0.15004428250146 0.26484054714410 15.999 > 28 56 O 0.87499088538980 0.15004428250146 0.26484054714410 15.999 > 28 *57 O 0.09922997909852 0.43888756128203 0.45948905770212 15.999 > 29 58 O 0.59922997909852 0.43888756128203 0.45948905770212 15.999 > 29 *59 O 0.46856823039443 0.30092862600956 0.16883111227422 15.999 > 30 60 O 0.96856823039443 0.30092862600956 0.16883111227422 15.999 > 30 61 O 0.40077002090148 0.56111243871797 0.54051094229788 15.999 > 31 62 O 0.90077002090148 0.56111243871797 0.54051094229788 15.999 > 31 63 O 0.46856823039443 0.19907137399044 0.66883111227422 15.999 > 32 64 O 0.96856823039443 0.19907137399044 0.66883111227422 15.999 > 32 65 O 0.09922997909852 0.06111243871797 0.95948905770212 15.999 > 33 66 O 0.59922997909852 0.06111243871797 0.95948905770212 15.999 > 33 67 O 0.37499088538980 0.34995571749854 0.76484054714410 15.999 > 34 68 O 0.87499088538980 0.34995571749854 0.76484054714410 15.999 > 34 69 O 0.40077002090148 0.93888756128203 0.04051094229788 15.999 > 35 70 O 0.90077002090148 0.93888756128203 0.04051094229788 15.999 > 35 71 O 0.03143176960557 0.80092862600956 0.33116888772578 15.999 > 36 72 O 0.53143176960557 0.80092862600956 0.33116888772578 15.999 > 36 73 O 0.12499088538980 0.34995571749854 0.73515945285590 15.999 > 37 74 O 0.62499088538980 0.34995571749854 0.73515945285590 15.999 > 37 *75 O 0.42551915947818 0.52101605517829 0.80666545746898 15.999 > 38 76 O 0.92551915947818 0.52101605517829 0.80666545746898 15.999 > 38 77 O 0.42551915947818 0.97898394482171 0.30666545746898 15.999 > 39 78 O 0.92551915947818 0.97898394482171 0.30666545746898 15.999 > 39 79 O 0.21856823039443 0.19907137399044 0.83116888772578 15.999 > 40 80 O 0.71856823039443 0.19907137399044 0.83116888772578 15.999 > 40 81 O 0.40220813341697 0.87428278610528 0.52539540985118 15.999 > 41 82 O 0.90220813341697 0.87428278610528 0.52539540985118 15.999 > 41 83 O 0.37500911461020 0.65004428250146 0.26484054714410 15.999 > 42 84 O 0.87500911461020 0.65004428250146 0.26484054714410 15.999 > 42 85 O 0.34922997909852 0.06111243871797 0.54051094229788 15.999 > 43 86 O 0.84922997909852 0.06111243871797 0.54051094229788 15.999 > 43 87 O 0.32448084052182 0.47898394482171 0.30666545746898 15.999 > 44 88 O 0.82448084052182 0.47898394482171 0.30666545746898 15.999 > 44 89 O 0.37500911461020 0.84995571749854 0.76484054714410 15.999 > 45 90 O 0.87500911461020 0.84995571749854 0.76484054714410 15.999 > 45 91 O 0.34779186658303 0.37428278610528 0.52539540985118 15.999 > 46 92 O 0.84779186658303 0.37428278610528 0.52539540985118 15.999 > 46 93 O 0.17551915947818 0.52101605517829 0.69333454253102 15.999 > 47 94 O 0.67551915947818 0.52101605517829 0.69333454253102 15.999 > 47 95 O 0.12500911461020 0.65004428250146 0.23515945285590 15.999 > 48 96 O 0.62500911461020 0.65004428250146 0.23515945285590 15.999 > 48 97 O 0.03143176960557 0.69907137399044 0.83116888772578 15.999 > 49 98 O 0.53143176960557 0.69907137399044 0.83116888772578 15.999 > 49 99 O 0.15077002090148 0.93888756128203 0.45948905770212 15.999 > 50 100 O 0.65077002090148 0.93888756128203 0.45948905770212 15.999 > 50 101 O 0.32448084052182 0.02101605517829 0.80666545746898 15.999 > 51 102 O 0.82448084052182 0.02101605517829 0.80666545746898 15.999 > 51 103 O 0.07448084052182 0.02101605517829 0.69333454253102 15.999 > 52 104 O 0.57448084052182 0.02101605517829 0.69333454253102 15.999 > 52 105 O 0.28143176960557 0.80092862600956 0.16883111227422 15.999 > 53 106 O 0.78143176960557 0.80092862600956 0.16883111227422 15.999 > 53 107 O 0.15220813341697 0.87428278610528 0.97460459014882 15.999 > 54 108 O 0.65220813341697 0.87428278610528 0.97460459014882 15.999 > 54 109 O 0.34922997909852 0.43888756128203 0.04051094229788 15.999 > 55 110 O 0.84922997909852 0.43888756128203 0.04051094229788 15.999 > 55 111 O 0.15220813341697 0.62571721389472 0.47460459014882 15.999 > 56 112 O 0.65220813341697 0.62571721389472 0.47460459014882 15.999 > 56 113 O 0.15077002090148 0.56111243871797 0.95948905770212 15.999 > 57 114 O 0.65077002090148 0.56111243871797 0.95948905770212 15.999 > 57 115 O 0.09779186658303 0.37428278610528 0.97460459014882 15.999 > 58 116 O 0.59779186658303 0.37428278610528 0.97460459014882 15.999 > 58 117 O 0.28143176960557 0.69907137399044 0.66883111227422 15.999 > 59 118 O 0.78143176960557 0.69907137399044 0.66883111227422 15.999 > 59 119 O 0.40220813341697 0.62571721389472 0.02539540985118 15.999 > 60 120 O 0.90220813341697 0.62571721389472 0.02539540985118 15.999 > 60 121 O 0.17551915947818 0.97898394482171 0.19333454253102 15.999 > 61 122 O 0.67551915947818 0.97898394482171 0.19333454253102 15.999 > 61 123 O 0.07448084052182 0.47898394482171 0.19333454253102 15.999 > 62 124 O 0.57448084052182 0.47898394482171 0.19333454253102 15.999 > 62 125 O 0.21856823039443 0.30092862600956 0.33116888772578 15.999 > 63 126 O 0.71856823039443 0.30092862600956 0.33116888772578 15.999 > 63 127 O 0.12499088538980 0.15004428250146 0.23515945285590 15.999 > 64 128 O 0.62499088538980 0.15004428250146 0.23515945285590 15.999 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6074767 0.0000000 0.0000000 0.0000000 4.5039017 0.0000000 0.0000000 0.0000000 4.5196717 -------------------------- Born effective charges -------------------------- 1 Er 4.0584559 -0.0026509 0.3719912 0.0713534 4.1041423 -0.1138264 -0.0572856 -0.1544503 3.9633194 2 Er 4.0584559 0.0026509 -0.3719912 -0.0713534 4.1041423 -0.1138264 0.0572856 -0.1544503 3.9633194 3 Er 4.0584559 -0.0026509 -0.3719912 0.0713534 4.1041423 0.1138264 0.0572856 0.1544503 3.9633194 4 Er 4.0584559 0.0026509 -0.3719912 -0.0713534 4.1041423 -0.1138264 0.0572856 -0.1544503 3.9633194 5 Er 4.0584559 -0.0026509 0.3719912 0.0713534 4.1041423 -0.1138264 -0.0572856 -0.1544503 3.9633194 6 Er 4.0584559 -0.0026509 -0.3719912 0.0713534 4.1041423 0.1138264 0.0572856 0.1544503 3.9633194 7 Er 4.0584559 0.0026509 0.3719912 -0.0713534 4.1041423 0.1138264 -0.0572856 0.1544503 3.9633194 8 Er 4.0584559 0.0026509 0.3719912 -0.0713534 4.1041423 0.1138264 -0.0572856 0.1544503 3.9633194 9 Ge 3.2066820 0.0223709 -0.2757284 -0.1310360 3.9832458 0.0955183 -0.4234015 -0.1854726 3.6222404 10 Ge 3.2066820 0.0223709 -0.2757284 -0.1310360 3.9832458 0.0955183 -0.4234015 -0.1854726 3.6222404 11 Ge 3.2066820 -0.0223709 0.2757284 0.1310360 3.9832458 0.0955183 0.4234015 -0.1854726 3.6222404 12 Ge 3.2066820 0.0223709 0.2757284 -0.1310360 3.9832458 -0.0955183 0.4234015 0.1854726 3.6222404 13 Ge 3.2066820 -0.0223709 -0.2757284 0.1310360 3.9832458 -0.0955183 -0.4234015 0.1854726 3.6222404 14 Ge 3.2066820 -0.0223709 -0.2757284 0.1310360 3.9832458 -0.0955183 -0.4234015 0.1854726 3.6222404 15 Ge 3.2066820 -0.0223709 0.2757284 0.1310360 3.9832458 0.0955183 0.4234015 -0.1854726 3.6222404 16 Ge 3.2066820 0.0223709 0.2757284 -0.1310360 3.9832458 -0.0955183 0.4234015 0.1854726 3.6222404 17 Bi 4.4347023 -0.0077938 -0.5020007 0.1444701 3.5253057 0.3898094 -0.6038934 0.4345071 3.9396717 18 Bi 4.4347023 0.0077938 0.5020007 -0.1444701 3.5253057 0.3898094 0.6038934 0.4345071 3.9396717 19 Bi 4.4347023 0.0077938 -0.5020007 -0.1444701 3.5253057 -0.3898094 -0.6038934 -0.4345071 3.9396717 20 Bi 4.4347023 0.0077938 -0.5020007 -0.1444701 3.5253057 -0.3898094 -0.6038934 -0.4345071 3.9396717 21 Bi 4.4347023 -0.0077938 0.5020007 0.1444701 3.5253057 -0.3898094 0.6038934 -0.4345071 3.9396717 22 Bi 4.4347023 -0.0077938 -0.5020007 0.1444701 3.5253057 0.3898094 -0.6038934 0.4345071 3.9396717 23 Bi 4.4347023 0.0077938 0.5020007 -0.1444701 3.5253057 0.3898094 0.6038934 0.4345071 3.9396717 24 Bi 4.4347023 -0.0077938 0.5020007 0.1444701 3.5253057 -0.3898094 0.6038934 -0.4345071 3.9396717 25 O -2.0059965 0.3268681 0.5956969 0.3761439 -2.2331758 0.3278885 0.3308932 0.6977275 -2.6736035 26 O -2.7907823 -0.3357629 -0.6913478 -0.2806007 -2.4494554 0.1029443 -0.2101254 0.1670387 -1.9824713 27 O -2.0059965 0.3268681 -0.5956969 0.3761439 -2.2331758 -0.3278885 -0.3308932 -0.6977275 -2.6736035 28 O -2.7907823 -0.3357629 -0.6913478 -0.2806007 -2.4494554 0.1029443 -0.2101254 0.1670387 -1.9824713 29 O -2.3627999 0.5624643 0.3404714 0.6185186 -2.2102918 -0.0144370 0.4488487 0.0490534 -2.2472011 30 O -2.4724629 -0.3898823 -0.4212866 -0.5299283 -2.3762115 0.9984251 -0.0598001 0.9476579 -2.3383484 31 O -2.3627999 0.5624643 0.3404714 0.6185186 -2.2102918 -0.0144370 0.4488487 0.0490534 -2.2472011 32 O -2.4724629 0.3898823 -0.4212866 0.5299283 -2.3762115 -0.9984251 -0.0598001 -0.9476579 -2.3383484 33 O -2.3627999 -0.5624643 0.3404714 -0.6185186 -2.2102918 0.0144370 0.4488487 -0.0490534 -2.2472011 34 O -2.7907823 0.3357629 -0.6913478 0.2806007 -2.4494554 -0.1029443 -0.2101254 -0.1670387 -1.9824713 35 O -2.3627999 -0.5624643 0.3404714 -0.6185186 -2.2102918 0.0144370 0.4488487 -0.0490534 -2.2472011 36 O -2.4724629 0.3898823 -0.4212866 0.5299283 -2.3762115 -0.9984251 -0.0598001 -0.9476579 -2.3383484 37 O -2.7907823 0.3357629 0.6913478 0.2806007 -2.4494554 0.1029443 0.2101254 0.1670387 -1.9824713 38 O -2.0677986 -0.4447685 0.0049930 -0.5099046 -2.3435592 -0.6921055 0.0682033 -0.6855911 -2.2836073 39 O -2.0677986 0.4447685 0.0049930 0.5099046 -2.3435592 0.6921055 0.0682033 0.6855911 -2.2836073 40 O -2.4724629 0.3898823 0.4212866 0.5299283 -2.3762115 0.9984251 0.0598001 0.9476579 -2.3383484 41 O -2.0059965 0.3268681 0.5956969 0.3761439 -2.2331758 0.3278885 0.3308932 0.6977275 -2.6736035 42 O -2.7907823 0.3357629 0.6913478 0.2806007 -2.4494554 0.1029443 0.2101254 0.1670387 -1.9824713 43 O -2.3627999 -0.5624643 -0.3404714 -0.6185186 -2.2102918 -0.0144370 -0.4488487 0.0490534 -2.2472011 44 O -2.0677986 -0.4447685 -0.0049930 -0.5099046 -2.3435592 0.6921055 -0.0682033 0.6855911 -2.2836073 45 O -2.7907823 -0.3357629 0.6913478 -0.2806007 -2.4494554 -0.1029443 0.2101254 -0.1670387 -1.9824713 46 O -2.0059965 -0.3268681 -0.5956969 -0.3761439 -2.2331758 0.3278885 -0.3308932 0.6977275 -2.6736035 47 O -2.0677986 -0.4447685 -0.0049930 -0.5099046 -2.3435592 0.6921055 -0.0682033 0.6855911 -2.2836073 48 O -2.7907823 0.3357629 -0.6913478 0.2806007 -2.4494554 -0.1029443 -0.2101254 -0.1670387 -1.9824713 49 O -2.4724629 -0.3898823 -0.4212866 -0.5299283 -2.3762115 0.9984251 -0.0598001 0.9476579 -2.3383484 50 O -2.3627999 -0.5624643 -0.3404714 -0.6185186 -2.2102918 -0.0144370 -0.4488487 0.0490534 -2.2472011 51 O -2.0677986 0.4447685 -0.0049930 0.5099046 -2.3435592 -0.6921055 -0.0682033 -0.6855911 -2.2836073 52 O -2.0677986 0.4447685 0.0049930 0.5099046 -2.3435592 0.6921055 0.0682033 0.6855911 -2.2836073 53 O -2.4724629 0.3898823 0.4212866 0.5299283 -2.3762115 0.9984251 0.0598001 0.9476579 -2.3383484 54 O -2.0059965 0.3268681 -0.5956969 0.3761439 -2.2331758 -0.3278885 -0.3308932 -0.6977275 -2.6736035 55 O -2.3627999 0.5624643 -0.3404714 0.6185186 -2.2102918 0.0144370 -0.4488487 -0.0490534 -2.2472011 56 O -2.0059965 -0.3268681 -0.5956969 -0.3761439 -2.2331758 0.3278885 -0.3308932 0.6977275 -2.6736035 57 O -2.3627999 0.5624643 -0.3404714 0.6185186 -2.2102918 0.0144370 -0.4488487 -0.0490534 -2.2472011 58 O -2.0059965 -0.3268681 0.5956969 -0.3761439 -2.2331758 -0.3278885 0.3308932 -0.6977275 -2.6736035 59 O -2.4724629 -0.3898823 0.4212866 -0.5299283 -2.3762115 -0.9984251 0.0598001 -0.9476579 -2.3383484 60 O -2.0059965 -0.3268681 0.5956969 -0.3761439 -2.2331758 -0.3278885 0.3308932 -0.6977275 -2.6736035 61 O -2.0677986 0.4447685 -0.0049930 0.5099046 -2.3435592 -0.6921055 -0.0682033 -0.6855911 -2.2836073 62 O -2.0677986 -0.4447685 0.0049930 -0.5099046 -2.3435592 -0.6921055 0.0682033 -0.6855911 -2.2836073 63 O -2.4724629 -0.3898823 0.4212866 -0.5299283 -2.3762115 -0.9984251 0.0598001 -0.9476579 -2.3383484 64 O -2.7907823 -0.3357629 0.6913478 -0.2806007 -2.4494554 -0.1029443 0.2101254 -0.1670387 -1.9824713 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.673 Solver_block: 200 / 960 - Time: 1.359 Solver_block: 300 / 960 - Time: 1.465 Solver_block: 400 / 960 - Time: 1.609 Solver_block: 500 / 960 - Time: 1.616 Solver_block: 600 / 960 - Time: 1.390 Solver_block: 700 / 960 - Time: 1.439 Solver_block: 800 / 960 - Time: 1.623 Solver_block: 900 / 960 - Time: 1.982 Solver_block: 960 / 960 - Time: 0.924 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.864 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4680), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 262), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:37:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:37:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.299389920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.204032920000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.931126469999999 Atomic positions (fractional): 1 Er 0.01155617130036 0.55378451755146 0.35848694357810 167.259 2 Er 0.51155617130036 0.94621548244854 0.64151305642190 167.259 3 Er 0.48844382869964 0.44621548244854 0.85848694357810 167.259 4 Er 0.48844382869964 0.05378451755146 0.35848694357810 167.259 5 Er 0.98844382869964 0.44621548244854 0.64151305642190 167.259 6 Er 0.51155617130036 0.55378451755146 0.14151305642190 167.259 7 Er 0.01155617130036 0.94621548244854 0.85848694357810 167.259 8 Er 0.98844382869964 0.05378451755146 0.14151305642190 167.259 9 Ge 0.00548153047983 0.59541296326176 0.90261600493872 72.640 10 Ge 0.99451846952017 0.40458703673824 0.09738399506127 72.640 11 Ge 0.50548153047983 0.90458703673824 0.09738399506127 72.640 12 Ge 0.49451846952017 0.40458703673824 0.40261600493873 72.640 13 Ge 0.99451846952017 0.09541296326176 0.59738399506128 72.640 14 Ge 0.00548153047983 0.90458703673824 0.40261600493873 72.640 15 Ge 0.49451846952017 0.09541296326176 0.90261600493872 72.640 16 Ge 0.50548153047983 0.59541296326176 0.59738399506128 72.640 17 Bi 0.53958651706773 0.23787237907855 0.14523017488081 208.980 18 Bi 0.03958651706773 0.26212762092144 0.85476982511919 208.980 19 Bi 0.53958651706773 0.26212762092144 0.64523017488081 208.980 20 Bi 0.46041348293226 0.73787237907855 0.35476982511919 208.980 21 Bi 0.96041348293227 0.76212762092145 0.64523017488081 208.980 22 Bi 0.46041348293226 0.76212762092145 0.85476982511919 208.980 23 Bi 0.96041348293227 0.73787237907855 0.14523017488081 208.980 24 Bi 0.03958651706773 0.23787237907855 0.35476982511919 208.980 25 O 0.19558373316606 0.12571721389471 0.47460459014882 15.999 26 O 0.25001822922040 0.84995571749854 0.73515945285590 15.999 27 O 0.69558373316606 0.12571721389471 0.02539540985118 15.999 28 O 0.74998177077960 0.15004428250146 0.26484054714410 15.999 29 O 0.19845995819704 0.43888756128203 0.45948905770212 15.999 30 O 0.93713646078885 0.30092862600956 0.16883111227422 15.999 31 O 0.80154004180296 0.56111243871797 0.54051094229788 15.999 32 O 0.93713646078885 0.19907137399044 0.66883111227422 15.999 33 O 0.19845995819704 0.06111243871797 0.95948905770212 15.999 34 O 0.74998177077960 0.34995571749854 0.76484054714410 15.999 35 O 0.80154004180296 0.93888756128203 0.04051094229788 15.999 36 O 0.06286353921115 0.80092862600956 0.33116888772578 15.999 37 O 0.24998177077960 0.34995571749854 0.73515945285590 15.999 38 O 0.85103831895637 0.52101605517829 0.80666545746898 15.999 39 O 0.85103831895637 0.97898394482171 0.30666545746898 15.999 40 O 0.43713646078885 0.19907137399044 0.83116888772578 15.999 41 O 0.80441626683394 0.87428278610528 0.52539540985118 15.999 42 O 0.75001822922040 0.65004428250146 0.26484054714410 15.999 43 O 0.69845995819704 0.06111243871797 0.54051094229788 15.999 44 O 0.64896168104363 0.47898394482171 0.30666545746898 15.999 45 O 0.75001822922040 0.84995571749854 0.76484054714410 15.999 46 O 0.69558373316606 0.37428278610528 0.52539540985118 15.999 47 O 0.35103831895637 0.52101605517829 0.69333454253102 15.999 48 O 0.25001822922040 0.65004428250146 0.23515945285590 15.999 49 O 0.06286353921115 0.69907137399044 0.83116888772578 15.999 50 O 0.30154004180296 0.93888756128203 0.45948905770212 15.999 51 O 0.64896168104363 0.02101605517829 0.80666545746898 15.999 52 O 0.14896168104363 0.02101605517829 0.69333454253102 15.999 53 O 0.56286353921115 0.80092862600956 0.16883111227422 15.999 54 O 0.30441626683394 0.87428278610528 0.97460459014882 15.999 55 O 0.69845995819704 0.43888756128203 0.04051094229788 15.999 56 O 0.30441626683394 0.62571721389472 0.47460459014882 15.999 57 O 0.30154004180296 0.56111243871797 0.95948905770212 15.999 58 O 0.19558373316606 0.37428278610528 0.97460459014882 15.999 59 O 0.56286353921115 0.69907137399044 0.66883111227422 15.999 60 O 0.80441626683394 0.62571721389472 0.02539540985118 15.999 61 O 0.35103831895637 0.97898394482171 0.19333454253102 15.999 62 O 0.14896168104363 0.47898394482171 0.19333454253102 15.999 63 O 0.43713646078885 0.30092862600956 0.33116888772578 15.999 64 O 0.24998177077960 0.15004428250146 0.23515945285590 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.598779840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.204032920000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.931126469999999 Atomic positions (fractional): 1 Er 0.00577808565018 0.55378451755146 0.35848694357810 167.259 > 1 2 Er 0.50577808565018 0.55378451755146 0.35848694357810 167.259 > 1 3 Er 0.25577808565018 0.94621548244854 0.64151305642190 167.259 > 3 4 Er 0.75577808565018 0.94621548244854 0.64151305642190 167.259 > 3 5 Er 0.24422191434982 0.44621548244854 0.85848694357810 167.259 > 5 6 Er 0.74422191434982 0.44621548244854 0.85848694357810 167.259 > 5 7 Er 0.24422191434982 0.05378451755146 0.35848694357810 167.259 > 7 8 Er 0.74422191434982 0.05378451755146 0.35848694357810 167.259 > 7 9 Er 0.49422191434982 0.44621548244854 0.64151305642190 167.259 > 9 10 Er 0.99422191434982 0.44621548244854 0.64151305642190 167.259 > 9 11 Er 0.25577808565018 0.55378451755146 0.14151305642190 167.259 > 11 12 Er 0.75577808565018 0.55378451755146 0.14151305642190 167.259 > 11 13 Er 0.00577808565018 0.94621548244854 0.85848694357810 167.259 > 13 14 Er 0.50577808565018 0.94621548244854 0.85848694357810 167.259 > 13 15 Er 0.49422191434982 0.05378451755146 0.14151305642190 167.259 > 15 16 Er 0.99422191434982 0.05378451755146 0.14151305642190 167.259 > 15 17 Ge 0.00274076523992 0.59541296326176 0.90261600493872 72.640 > 17 18 Ge 0.50274076523992 0.59541296326176 0.90261600493872 72.640 > 17 19 Ge 0.49725923476008 0.40458703673824 0.09738399506127 72.640 > 19 20 Ge 0.99725923476008 0.40458703673824 0.09738399506127 72.640 > 19 21 Ge 0.25274076523992 0.90458703673824 0.09738399506127 72.640 > 21 22 Ge 0.75274076523992 0.90458703673824 0.09738399506127 72.640 > 21 23 Ge 0.24725923476008 0.40458703673824 0.40261600493873 72.640 > 23 24 Ge 0.74725923476008 0.40458703673824 0.40261600493873 72.640 > 23 25 Ge 0.49725923476008 0.09541296326176 0.59738399506128 72.640 > 25 26 Ge 0.99725923476008 0.09541296326176 0.59738399506128 72.640 > 25 27 Ge 0.00274076523992 0.90458703673824 0.40261600493873 72.640 > 27 28 Ge 0.50274076523992 0.90458703673824 0.40261600493873 72.640 > 27 29 Ge 0.24725923476008 0.09541296326176 0.90261600493872 72.640 > 29 30 Ge 0.74725923476008 0.09541296326176 0.90261600493872 72.640 > 29 31 Ge 0.25274076523992 0.59541296326176 0.59738399506128 72.640 > 31 32 Ge 0.75274076523992 0.59541296326176 0.59738399506128 72.640 > 31 33 Bi 0.26979325853387 0.23787237907855 0.14523017488081 208.980 > 33 34 Bi 0.76979325853387 0.23787237907855 0.14523017488081 208.980 > 33 35 Bi 0.01979325853387 0.26212762092144 0.85476982511919 208.980 > 35 36 Bi 0.51979325853387 0.26212762092144 0.85476982511919 208.980 > 35 37 Bi 0.26979325853387 0.26212762092144 0.64523017488081 208.980 > 37 38 Bi 0.76979325853387 0.26212762092144 0.64523017488081 208.980 > 37 39 Bi 0.23020674146613 0.73787237907855 0.35476982511919 208.980 > 39 40 Bi 0.73020674146613 0.73787237907855 0.35476982511919 208.980 > 39 41 Bi 0.48020674146613 0.76212762092145 0.64523017488081 208.980 > 41 42 Bi 0.98020674146613 0.76212762092145 0.64523017488081 208.980 > 41 43 Bi 0.23020674146613 0.76212762092145 0.85476982511919 208.980 > 43 44 Bi 0.73020674146613 0.76212762092145 0.85476982511919 208.980 > 43 45 Bi 0.48020674146613 0.73787237907855 0.14523017488081 208.980 > 45 46 Bi 0.98020674146613 0.73787237907855 0.14523017488081 208.980 > 45 47 Bi 0.01979325853387 0.23787237907855 0.35476982511919 208.980 > 47 48 Bi 0.51979325853387 0.23787237907855 0.35476982511919 208.980 > 47 49 O 0.09779186658303 0.12571721389471 0.47460459014882 15.999 > 49 50 O 0.59779186658303 0.12571721389471 0.47460459014882 15.999 > 49 51 O 0.12500911461020 0.84995571749854 0.73515945285590 15.999 > 51 52 O 0.62500911461020 0.84995571749854 0.73515945285590 15.999 > 51 53 O 0.34779186658303 0.12571721389471 0.02539540985118 15.999 > 53 54 O 0.84779186658303 0.12571721389471 0.02539540985118 15.999 > 53 55 O 0.37499088538980 0.15004428250146 0.26484054714410 15.999 > 55 56 O 0.87499088538980 0.15004428250146 0.26484054714410 15.999 > 55 57 O 0.09922997909852 0.43888756128203 0.45948905770212 15.999 > 57 58 O 0.59922997909852 0.43888756128203 0.45948905770212 15.999 > 57 59 O 0.46856823039443 0.30092862600956 0.16883111227422 15.999 > 59 60 O 0.96856823039443 0.30092862600956 0.16883111227422 15.999 > 59 61 O 0.40077002090148 0.56111243871797 0.54051094229788 15.999 > 61 62 O 0.90077002090148 0.56111243871797 0.54051094229788 15.999 > 61 63 O 0.46856823039443 0.19907137399044 0.66883111227422 15.999 > 63 64 O 0.96856823039443 0.19907137399044 0.66883111227422 15.999 > 63 65 O 0.09922997909852 0.06111243871797 0.95948905770212 15.999 > 65 66 O 0.59922997909852 0.06111243871797 0.95948905770212 15.999 > 65 67 O 0.37499088538980 0.34995571749854 0.76484054714410 15.999 > 67 68 O 0.87499088538980 0.34995571749854 0.76484054714410 15.999 > 67 69 O 0.40077002090148 0.93888756128203 0.04051094229788 15.999 > 69 70 O 0.90077002090148 0.93888756128203 0.04051094229788 15.999 > 69 71 O 0.03143176960557 0.80092862600956 0.33116888772578 15.999 > 71 72 O 0.53143176960557 0.80092862600956 0.33116888772578 15.999 > 71 73 O 0.12499088538980 0.34995571749854 0.73515945285590 15.999 > 73 74 O 0.62499088538980 0.34995571749854 0.73515945285590 15.999 > 73 75 O 0.42551915947818 0.52101605517829 0.80666545746898 15.999 > 75 76 O 0.92551915947818 0.52101605517829 0.80666545746898 15.999 > 75 77 O 0.42551915947818 0.97898394482171 0.30666545746898 15.999 > 77 78 O 0.92551915947818 0.97898394482171 0.30666545746898 15.999 > 77 79 O 0.21856823039443 0.19907137399044 0.83116888772578 15.999 > 79 80 O 0.71856823039443 0.19907137399044 0.83116888772578 15.999 > 79 81 O 0.40220813341697 0.87428278610528 0.52539540985118 15.999 > 81 82 O 0.90220813341697 0.87428278610528 0.52539540985118 15.999 > 81 83 O 0.37500911461020 0.65004428250146 0.26484054714410 15.999 > 83 84 O 0.87500911461020 0.65004428250146 0.26484054714410 15.999 > 83 85 O 0.34922997909852 0.06111243871797 0.54051094229788 15.999 > 85 86 O 0.84922997909852 0.06111243871797 0.54051094229788 15.999 > 85 87 O 0.32448084052182 0.47898394482171 0.30666545746898 15.999 > 87 88 O 0.82448084052182 0.47898394482171 0.30666545746898 15.999 > 87 89 O 0.37500911461020 0.84995571749854 0.76484054714410 15.999 > 89 90 O 0.87500911461020 0.84995571749854 0.76484054714410 15.999 > 89 91 O 0.34779186658303 0.37428278610528 0.52539540985118 15.999 > 91 92 O 0.84779186658303 0.37428278610528 0.52539540985118 15.999 > 91 93 O 0.17551915947818 0.52101605517829 0.69333454253102 15.999 > 93 94 O 0.67551915947818 0.52101605517829 0.69333454253102 15.999 > 93 95 O 0.12500911461020 0.65004428250146 0.23515945285590 15.999 > 95 96 O 0.62500911461020 0.65004428250146 0.23515945285590 15.999 > 95 97 O 0.03143176960557 0.69907137399044 0.83116888772578 15.999 > 97 98 O 0.53143176960557 0.69907137399044 0.83116888772578 15.999 > 97 99 O 0.15077002090148 0.93888756128203 0.45948905770212 15.999 > 99 100 O 0.65077002090148 0.93888756128203 0.45948905770212 15.999 > 99 101 O 0.32448084052182 0.02101605517829 0.80666545746898 15.999 > 101 102 O 0.82448084052182 0.02101605517829 0.80666545746898 15.999 > 101 103 O 0.07448084052182 0.02101605517829 0.69333454253102 15.999 > 103 104 O 0.57448084052182 0.02101605517829 0.69333454253102 15.999 > 103 105 O 0.28143176960557 0.80092862600956 0.16883111227422 15.999 > 105 106 O 0.78143176960557 0.80092862600956 0.16883111227422 15.999 > 105 107 O 0.15220813341697 0.87428278610528 0.97460459014882 15.999 > 107 108 O 0.65220813341697 0.87428278610528 0.97460459014882 15.999 > 107 109 O 0.34922997909852 0.43888756128203 0.04051094229788 15.999 > 109 110 O 0.84922997909852 0.43888756128203 0.04051094229788 15.999 > 109 111 O 0.15220813341697 0.62571721389472 0.47460459014882 15.999 > 111 112 O 0.65220813341697 0.62571721389472 0.47460459014882 15.999 > 111 113 O 0.15077002090148 0.56111243871797 0.95948905770212 15.999 > 113 114 O 0.65077002090148 0.56111243871797 0.95948905770212 15.999 > 113 115 O 0.09779186658303 0.37428278610528 0.97460459014882 15.999 > 115 116 O 0.59779186658303 0.37428278610528 0.97460459014882 15.999 > 115 117 O 0.28143176960557 0.69907137399044 0.66883111227422 15.999 > 117 118 O 0.78143176960557 0.69907137399044 0.66883111227422 15.999 > 117 119 O 0.40220813341697 0.62571721389472 0.02539540985118 15.999 > 119 120 O 0.90220813341697 0.62571721389472 0.02539540985118 15.999 > 119 121 O 0.17551915947818 0.97898394482171 0.19333454253102 15.999 > 121 122 O 0.67551915947818 0.97898394482171 0.19333454253102 15.999 > 121 123 O 0.07448084052182 0.47898394482171 0.19333454253102 15.999 > 123 124 O 0.57448084052182 0.47898394482171 0.19333454253102 15.999 > 123 125 O 0.21856823039443 0.30092862600956 0.33116888772578 15.999 > 125 126 O 0.71856823039443 0.30092862600956 0.33116888772578 15.999 > 125 127 O 0.12499088538980 0.15004428250146 0.23515945285590 15.999 > 127 128 O 0.62499088538980 0.15004428250146 0.23515945285590 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6074767 0.0000000 0.0000000 0.0000000 4.5039017 0.0000000 0.0000000 0.0000000 4.5196717 -------------------------- Born effective charges -------------------------- 1 Er 4.0584559 -0.0026509 0.3719912 0.0713534 4.1041423 -0.1138264 -0.0572856 -0.1544503 3.9633194 2 Er 4.0584559 0.0026509 -0.3719912 -0.0713534 4.1041423 -0.1138264 0.0572856 -0.1544503 3.9633194 3 Er 4.0584559 -0.0026509 -0.3719912 0.0713534 4.1041423 0.1138264 0.0572856 0.1544503 3.9633194 4 Er 4.0584559 0.0026509 -0.3719912 -0.0713534 4.1041423 -0.1138264 0.0572856 -0.1544503 3.9633194 5 Er 4.0584559 -0.0026509 0.3719912 0.0713534 4.1041423 -0.1138264 -0.0572856 -0.1544503 3.9633194 6 Er 4.0584559 -0.0026509 -0.3719912 0.0713534 4.1041423 0.1138264 0.0572856 0.1544503 3.9633194 7 Er 4.0584559 0.0026509 0.3719912 -0.0713534 4.1041423 0.1138264 -0.0572856 0.1544503 3.9633194 8 Er 4.0584559 0.0026509 0.3719912 -0.0713534 4.1041423 0.1138264 -0.0572856 0.1544503 3.9633194 9 Ge 3.2066820 0.0223709 -0.2757284 -0.1310360 3.9832458 0.0955183 -0.4234015 -0.1854726 3.6222404 10 Ge 3.2066820 0.0223709 -0.2757284 -0.1310360 3.9832458 0.0955183 -0.4234015 -0.1854726 3.6222404 11 Ge 3.2066820 -0.0223709 0.2757284 0.1310360 3.9832458 0.0955183 0.4234015 -0.1854726 3.6222404 12 Ge 3.2066820 0.0223709 0.2757284 -0.1310360 3.9832458 -0.0955183 0.4234015 0.1854726 3.6222404 13 Ge 3.2066820 -0.0223709 -0.2757284 0.1310360 3.9832458 -0.0955183 -0.4234015 0.1854726 3.6222404 14 Ge 3.2066820 -0.0223709 -0.2757284 0.1310360 3.9832458 -0.0955183 -0.4234015 0.1854726 3.6222404 15 Ge 3.2066820 -0.0223709 0.2757284 0.1310360 3.9832458 0.0955183 0.4234015 -0.1854726 3.6222404 16 Ge 3.2066820 0.0223709 0.2757284 -0.1310360 3.9832458 -0.0955183 0.4234015 0.1854726 3.6222404 17 Bi 4.4347023 -0.0077938 -0.5020007 0.1444701 3.5253057 0.3898094 -0.6038934 0.4345071 3.9396717 18 Bi 4.4347023 0.0077938 0.5020007 -0.1444701 3.5253057 0.3898094 0.6038934 0.4345071 3.9396717 19 Bi 4.4347023 0.0077938 -0.5020007 -0.1444701 3.5253057 -0.3898094 -0.6038934 -0.4345071 3.9396717 20 Bi 4.4347023 0.0077938 -0.5020007 -0.1444701 3.5253057 -0.3898094 -0.6038934 -0.4345071 3.9396717 21 Bi 4.4347023 -0.0077938 0.5020007 0.1444701 3.5253057 -0.3898094 0.6038934 -0.4345071 3.9396717 22 Bi 4.4347023 -0.0077938 -0.5020007 0.1444701 3.5253057 0.3898094 -0.6038934 0.4345071 3.9396717 23 Bi 4.4347023 0.0077938 0.5020007 -0.1444701 3.5253057 0.3898094 0.6038934 0.4345071 3.9396717 24 Bi 4.4347023 -0.0077938 0.5020007 0.1444701 3.5253057 -0.3898094 0.6038934 -0.4345071 3.9396717 25 O -2.0059965 0.3268681 0.5956969 0.3761439 -2.2331758 0.3278885 0.3308932 0.6977275 -2.6736035 26 O -2.7907823 -0.3357629 -0.6913478 -0.2806007 -2.4494554 0.1029443 -0.2101254 0.1670387 -1.9824713 27 O -2.0059965 0.3268681 -0.5956969 0.3761439 -2.2331758 -0.3278885 -0.3308932 -0.6977275 -2.6736035 28 O -2.7907823 -0.3357629 -0.6913478 -0.2806007 -2.4494554 0.1029443 -0.2101254 0.1670387 -1.9824713 29 O -2.3627999 0.5624643 0.3404714 0.6185186 -2.2102918 -0.0144370 0.4488487 0.0490534 -2.2472011 30 O -2.4724629 -0.3898823 -0.4212866 -0.5299283 -2.3762115 0.9984251 -0.0598001 0.9476579 -2.3383484 31 O -2.3627999 0.5624643 0.3404714 0.6185186 -2.2102918 -0.0144370 0.4488487 0.0490534 -2.2472011 32 O -2.4724629 0.3898823 -0.4212866 0.5299283 -2.3762115 -0.9984251 -0.0598001 -0.9476579 -2.3383484 33 O -2.3627999 -0.5624643 0.3404714 -0.6185186 -2.2102918 0.0144370 0.4488487 -0.0490534 -2.2472011 34 O -2.7907823 0.3357629 -0.6913478 0.2806007 -2.4494554 -0.1029443 -0.2101254 -0.1670387 -1.9824713 35 O -2.3627999 -0.5624643 0.3404714 -0.6185186 -2.2102918 0.0144370 0.4488487 -0.0490534 -2.2472011 36 O -2.4724629 0.3898823 -0.4212866 0.5299283 -2.3762115 -0.9984251 -0.0598001 -0.9476579 -2.3383484 37 O -2.7907823 0.3357629 0.6913478 0.2806007 -2.4494554 0.1029443 0.2101254 0.1670387 -1.9824713 38 O -2.0677986 -0.4447685 0.0049930 -0.5099046 -2.3435592 -0.6921055 0.0682033 -0.6855911 -2.2836073 39 O -2.0677986 0.4447685 0.0049930 0.5099046 -2.3435592 0.6921055 0.0682033 0.6855911 -2.2836073 40 O -2.4724629 0.3898823 0.4212866 0.5299283 -2.3762115 0.9984251 0.0598001 0.9476579 -2.3383484 41 O -2.0059965 0.3268681 0.5956969 0.3761439 -2.2331758 0.3278885 0.3308932 0.6977275 -2.6736035 42 O -2.7907823 0.3357629 0.6913478 0.2806007 -2.4494554 0.1029443 0.2101254 0.1670387 -1.9824713 43 O -2.3627999 -0.5624643 -0.3404714 -0.6185186 -2.2102918 -0.0144370 -0.4488487 0.0490534 -2.2472011 44 O -2.0677986 -0.4447685 -0.0049930 -0.5099046 -2.3435592 0.6921055 -0.0682033 0.6855911 -2.2836073 45 O -2.7907823 -0.3357629 0.6913478 -0.2806007 -2.4494554 -0.1029443 0.2101254 -0.1670387 -1.9824713 46 O -2.0059965 -0.3268681 -0.5956969 -0.3761439 -2.2331758 0.3278885 -0.3308932 0.6977275 -2.6736035 47 O -2.0677986 -0.4447685 -0.0049930 -0.5099046 -2.3435592 0.6921055 -0.0682033 0.6855911 -2.2836073 48 O -2.7907823 0.3357629 -0.6913478 0.2806007 -2.4494554 -0.1029443 -0.2101254 -0.1670387 -1.9824713 49 O -2.4724629 -0.3898823 -0.4212866 -0.5299283 -2.3762115 0.9984251 -0.0598001 0.9476579 -2.3383484 50 O -2.3627999 -0.5624643 -0.3404714 -0.6185186 -2.2102918 -0.0144370 -0.4488487 0.0490534 -2.2472011 51 O -2.0677986 0.4447685 -0.0049930 0.5099046 -2.3435592 -0.6921055 -0.0682033 -0.6855911 -2.2836073 52 O -2.0677986 0.4447685 0.0049930 0.5099046 -2.3435592 0.6921055 0.0682033 0.6855911 -2.2836073 53 O -2.4724629 0.3898823 0.4212866 0.5299283 -2.3762115 0.9984251 0.0598001 0.9476579 -2.3383484 54 O -2.0059965 0.3268681 -0.5956969 0.3761439 -2.2331758 -0.3278885 -0.3308932 -0.6977275 -2.6736035 55 O -2.3627999 0.5624643 -0.3404714 0.6185186 -2.2102918 0.0144370 -0.4488487 -0.0490534 -2.2472011 56 O -2.0059965 -0.3268681 -0.5956969 -0.3761439 -2.2331758 0.3278885 -0.3308932 0.6977275 -2.6736035 57 O -2.3627999 0.5624643 -0.3404714 0.6185186 -2.2102918 0.0144370 -0.4488487 -0.0490534 -2.2472011 58 O -2.0059965 -0.3268681 0.5956969 -0.3761439 -2.2331758 -0.3278885 0.3308932 -0.6977275 -2.6736035 59 O -2.4724629 -0.3898823 0.4212866 -0.5299283 -2.3762115 -0.9984251 0.0598001 -0.9476579 -2.3383484 60 O -2.0059965 -0.3268681 0.5956969 -0.3761439 -2.2331758 -0.3278885 0.3308932 -0.6977275 -2.6736035 61 O -2.0677986 0.4447685 -0.0049930 0.5099046 -2.3435592 -0.6921055 -0.0682033 -0.6855911 -2.2836073 62 O -2.0677986 -0.4447685 0.0049930 -0.5099046 -2.3435592 -0.6921055 0.0682033 -0.6855911 -2.2836073 63 O -2.4724629 -0.3898823 0.4212866 -0.5299283 -2.3762115 -0.9984251 0.0598001 -0.9476579 -2.3383484 64 O -2.7907823 -0.3357629 0.6913478 -0.2806007 -2.4494554 -0.1029443 0.2101254 -0.1670387 -1.9824713 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:38:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:38:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.299389920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.204032920000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.931126469999999 Atomic positions (fractional): 1 Er 0.01155617130036 0.55378451755146 0.35848694357810 167.259 2 Er 0.51155617130036 0.94621548244854 0.64151305642190 167.259 3 Er 0.48844382869964 0.44621548244854 0.85848694357810 167.259 4 Er 0.48844382869964 0.05378451755146 0.35848694357810 167.259 5 Er 0.98844382869964 0.44621548244854 0.64151305642190 167.259 6 Er 0.51155617130036 0.55378451755146 0.14151305642190 167.259 7 Er 0.01155617130036 0.94621548244854 0.85848694357810 167.259 8 Er 0.98844382869964 0.05378451755146 0.14151305642190 167.259 9 Ge 0.00548153047983 0.59541296326176 0.90261600493872 72.640 10 Ge 0.99451846952017 0.40458703673824 0.09738399506127 72.640 11 Ge 0.50548153047983 0.90458703673824 0.09738399506127 72.640 12 Ge 0.49451846952017 0.40458703673824 0.40261600493873 72.640 13 Ge 0.99451846952017 0.09541296326176 0.59738399506128 72.640 14 Ge 0.00548153047983 0.90458703673824 0.40261600493873 72.640 15 Ge 0.49451846952017 0.09541296326176 0.90261600493872 72.640 16 Ge 0.50548153047983 0.59541296326176 0.59738399506128 72.640 17 Bi 0.53958651706773 0.23787237907855 0.14523017488081 208.980 18 Bi 0.03958651706773 0.26212762092144 0.85476982511919 208.980 19 Bi 0.53958651706773 0.26212762092144 0.64523017488081 208.980 20 Bi 0.46041348293226 0.73787237907855 0.35476982511919 208.980 21 Bi 0.96041348293227 0.76212762092145 0.64523017488081 208.980 22 Bi 0.46041348293226 0.76212762092145 0.85476982511919 208.980 23 Bi 0.96041348293227 0.73787237907855 0.14523017488081 208.980 24 Bi 0.03958651706773 0.23787237907855 0.35476982511919 208.980 25 O 0.19558373316606 0.12571721389471 0.47460459014882 15.999 26 O 0.25001822922040 0.84995571749854 0.73515945285590 15.999 27 O 0.69558373316606 0.12571721389471 0.02539540985118 15.999 28 O 0.74998177077960 0.15004428250146 0.26484054714410 15.999 29 O 0.19845995819704 0.43888756128203 0.45948905770212 15.999 30 O 0.93713646078885 0.30092862600956 0.16883111227422 15.999 31 O 0.80154004180296 0.56111243871797 0.54051094229788 15.999 32 O 0.93713646078885 0.19907137399044 0.66883111227422 15.999 33 O 0.19845995819704 0.06111243871797 0.95948905770212 15.999 34 O 0.74998177077960 0.34995571749854 0.76484054714410 15.999 35 O 0.80154004180296 0.93888756128203 0.04051094229788 15.999 36 O 0.06286353921115 0.80092862600956 0.33116888772578 15.999 37 O 0.24998177077960 0.34995571749854 0.73515945285590 15.999 38 O 0.85103831895637 0.52101605517829 0.80666545746898 15.999 39 O 0.85103831895637 0.97898394482171 0.30666545746898 15.999 40 O 0.43713646078885 0.19907137399044 0.83116888772578 15.999 41 O 0.80441626683394 0.87428278610528 0.52539540985118 15.999 42 O 0.75001822922040 0.65004428250146 0.26484054714410 15.999 43 O 0.69845995819704 0.06111243871797 0.54051094229788 15.999 44 O 0.64896168104363 0.47898394482171 0.30666545746898 15.999 45 O 0.75001822922040 0.84995571749854 0.76484054714410 15.999 46 O 0.69558373316606 0.37428278610528 0.52539540985118 15.999 47 O 0.35103831895637 0.52101605517829 0.69333454253102 15.999 48 O 0.25001822922040 0.65004428250146 0.23515945285590 15.999 49 O 0.06286353921115 0.69907137399044 0.83116888772578 15.999 50 O 0.30154004180296 0.93888756128203 0.45948905770212 15.999 51 O 0.64896168104363 0.02101605517829 0.80666545746898 15.999 52 O 0.14896168104363 0.02101605517829 0.69333454253102 15.999 53 O 0.56286353921115 0.80092862600956 0.16883111227422 15.999 54 O 0.30441626683394 0.87428278610528 0.97460459014882 15.999 55 O 0.69845995819704 0.43888756128203 0.04051094229788 15.999 56 O 0.30441626683394 0.62571721389472 0.47460459014882 15.999 57 O 0.30154004180296 0.56111243871797 0.95948905770212 15.999 58 O 0.19558373316606 0.37428278610528 0.97460459014882 15.999 59 O 0.56286353921115 0.69907137399044 0.66883111227422 15.999 60 O 0.80441626683394 0.62571721389472 0.02539540985118 15.999 61 O 0.35103831895637 0.97898394482171 0.19333454253102 15.999 62 O 0.14896168104363 0.47898394482171 0.19333454253102 15.999 63 O 0.43713646078885 0.30092862600956 0.33116888772578 15.999 64 O 0.24998177077960 0.15004428250146 0.23515945285590 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.598779840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.204032920000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.931126469999999 Atomic positions (fractional): 1 Er 0.00577808565018 0.55378451755146 0.35848694357810 167.259 > 1 2 Er 0.50577808565018 0.55378451755146 0.35848694357810 167.259 > 1 3 Er 0.25577808565018 0.94621548244854 0.64151305642190 167.259 > 3 4 Er 0.75577808565018 0.94621548244854 0.64151305642190 167.259 > 3 5 Er 0.24422191434982 0.44621548244854 0.85848694357810 167.259 > 5 6 Er 0.74422191434982 0.44621548244854 0.85848694357810 167.259 > 5 7 Er 0.24422191434982 0.05378451755146 0.35848694357810 167.259 > 7 8 Er 0.74422191434982 0.05378451755146 0.35848694357810 167.259 > 7 9 Er 0.49422191434982 0.44621548244854 0.64151305642190 167.259 > 9 10 Er 0.99422191434982 0.44621548244854 0.64151305642190 167.259 > 9 11 Er 0.25577808565018 0.55378451755146 0.14151305642190 167.259 > 11 12 Er 0.75577808565018 0.55378451755146 0.14151305642190 167.259 > 11 13 Er 0.00577808565018 0.94621548244854 0.85848694357810 167.259 > 13 14 Er 0.50577808565018 0.94621548244854 0.85848694357810 167.259 > 13 15 Er 0.49422191434982 0.05378451755146 0.14151305642190 167.259 > 15 16 Er 0.99422191434982 0.05378451755146 0.14151305642190 167.259 > 15 17 Ge 0.00274076523992 0.59541296326176 0.90261600493872 72.640 > 17 18 Ge 0.50274076523992 0.59541296326176 0.90261600493872 72.640 > 17 19 Ge 0.49725923476008 0.40458703673824 0.09738399506127 72.640 > 19 20 Ge 0.99725923476008 0.40458703673824 0.09738399506127 72.640 > 19 21 Ge 0.25274076523992 0.90458703673824 0.09738399506127 72.640 > 21 22 Ge 0.75274076523992 0.90458703673824 0.09738399506127 72.640 > 21 23 Ge 0.24725923476008 0.40458703673824 0.40261600493873 72.640 > 23 24 Ge 0.74725923476008 0.40458703673824 0.40261600493873 72.640 > 23 25 Ge 0.49725923476008 0.09541296326176 0.59738399506128 72.640 > 25 26 Ge 0.99725923476008 0.09541296326176 0.59738399506128 72.640 > 25 27 Ge 0.00274076523992 0.90458703673824 0.40261600493873 72.640 > 27 28 Ge 0.50274076523992 0.90458703673824 0.40261600493873 72.640 > 27 29 Ge 0.24725923476008 0.09541296326176 0.90261600493872 72.640 > 29 30 Ge 0.74725923476008 0.09541296326176 0.90261600493872 72.640 > 29 31 Ge 0.25274076523992 0.59541296326176 0.59738399506128 72.640 > 31 32 Ge 0.75274076523992 0.59541296326176 0.59738399506128 72.640 > 31 33 Bi 0.26979325853387 0.23787237907855 0.14523017488081 208.980 > 33 34 Bi 0.76979325853387 0.23787237907855 0.14523017488081 208.980 > 33 35 Bi 0.01979325853387 0.26212762092144 0.85476982511919 208.980 > 35 36 Bi 0.51979325853387 0.26212762092144 0.85476982511919 208.980 > 35 37 Bi 0.26979325853387 0.26212762092144 0.64523017488081 208.980 > 37 38 Bi 0.76979325853387 0.26212762092144 0.64523017488081 208.980 > 37 39 Bi 0.23020674146613 0.73787237907855 0.35476982511919 208.980 > 39 40 Bi 0.73020674146613 0.73787237907855 0.35476982511919 208.980 > 39 41 Bi 0.48020674146613 0.76212762092145 0.64523017488081 208.980 > 41 42 Bi 0.98020674146613 0.76212762092145 0.64523017488081 208.980 > 41 43 Bi 0.23020674146613 0.76212762092145 0.85476982511919 208.980 > 43 44 Bi 0.73020674146613 0.76212762092145 0.85476982511919 208.980 > 43 45 Bi 0.48020674146613 0.73787237907855 0.14523017488081 208.980 > 45 46 Bi 0.98020674146613 0.73787237907855 0.14523017488081 208.980 > 45 47 Bi 0.01979325853387 0.23787237907855 0.35476982511919 208.980 > 47 48 Bi 0.51979325853387 0.23787237907855 0.35476982511919 208.980 > 47 49 O 0.09779186658303 0.12571721389471 0.47460459014882 15.999 > 49 50 O 0.59779186658303 0.12571721389471 0.47460459014882 15.999 > 49 51 O 0.12500911461020 0.84995571749854 0.73515945285590 15.999 > 51 52 O 0.62500911461020 0.84995571749854 0.73515945285590 15.999 > 51 53 O 0.34779186658303 0.12571721389471 0.02539540985118 15.999 > 53 54 O 0.84779186658303 0.12571721389471 0.02539540985118 15.999 > 53 55 O 0.37499088538980 0.15004428250146 0.26484054714410 15.999 > 55 56 O 0.87499088538980 0.15004428250146 0.26484054714410 15.999 > 55 57 O 0.09922997909852 0.43888756128203 0.45948905770212 15.999 > 57 58 O 0.59922997909852 0.43888756128203 0.45948905770212 15.999 > 57 59 O 0.46856823039443 0.30092862600956 0.16883111227422 15.999 > 59 60 O 0.96856823039443 0.30092862600956 0.16883111227422 15.999 > 59 61 O 0.40077002090148 0.56111243871797 0.54051094229788 15.999 > 61 62 O 0.90077002090148 0.56111243871797 0.54051094229788 15.999 > 61 63 O 0.46856823039443 0.19907137399044 0.66883111227422 15.999 > 63 64 O 0.96856823039443 0.19907137399044 0.66883111227422 15.999 > 63 65 O 0.09922997909852 0.06111243871797 0.95948905770212 15.999 > 65 66 O 0.59922997909852 0.06111243871797 0.95948905770212 15.999 > 65 67 O 0.37499088538980 0.34995571749854 0.76484054714410 15.999 > 67 68 O 0.87499088538980 0.34995571749854 0.76484054714410 15.999 > 67 69 O 0.40077002090148 0.93888756128203 0.04051094229788 15.999 > 69 70 O 0.90077002090148 0.93888756128203 0.04051094229788 15.999 > 69 71 O 0.03143176960557 0.80092862600956 0.33116888772578 15.999 > 71 72 O 0.53143176960557 0.80092862600956 0.33116888772578 15.999 > 71 73 O 0.12499088538980 0.34995571749854 0.73515945285590 15.999 > 73 74 O 0.62499088538980 0.34995571749854 0.73515945285590 15.999 > 73 75 O 0.42551915947818 0.52101605517829 0.80666545746898 15.999 > 75 76 O 0.92551915947818 0.52101605517829 0.80666545746898 15.999 > 75 77 O 0.42551915947818 0.97898394482171 0.30666545746898 15.999 > 77 78 O 0.92551915947818 0.97898394482171 0.30666545746898 15.999 > 77 79 O 0.21856823039443 0.19907137399044 0.83116888772578 15.999 > 79 80 O 0.71856823039443 0.19907137399044 0.83116888772578 15.999 > 79 81 O 0.40220813341697 0.87428278610528 0.52539540985118 15.999 > 81 82 O 0.90220813341697 0.87428278610528 0.52539540985118 15.999 > 81 83 O 0.37500911461020 0.65004428250146 0.26484054714410 15.999 > 83 84 O 0.87500911461020 0.65004428250146 0.26484054714410 15.999 > 83 85 O 0.34922997909852 0.06111243871797 0.54051094229788 15.999 > 85 86 O 0.84922997909852 0.06111243871797 0.54051094229788 15.999 > 85 87 O 0.32448084052182 0.47898394482171 0.30666545746898 15.999 > 87 88 O 0.82448084052182 0.47898394482171 0.30666545746898 15.999 > 87 89 O 0.37500911461020 0.84995571749854 0.76484054714410 15.999 > 89 90 O 0.87500911461020 0.84995571749854 0.76484054714410 15.999 > 89 91 O 0.34779186658303 0.37428278610528 0.52539540985118 15.999 > 91 92 O 0.84779186658303 0.37428278610528 0.52539540985118 15.999 > 91 93 O 0.17551915947818 0.52101605517829 0.69333454253102 15.999 > 93 94 O 0.67551915947818 0.52101605517829 0.69333454253102 15.999 > 93 95 O 0.12500911461020 0.65004428250146 0.23515945285590 15.999 > 95 96 O 0.62500911461020 0.65004428250146 0.23515945285590 15.999 > 95 97 O 0.03143176960557 0.69907137399044 0.83116888772578 15.999 > 97 98 O 0.53143176960557 0.69907137399044 0.83116888772578 15.999 > 97 99 O 0.15077002090148 0.93888756128203 0.45948905770212 15.999 > 99 100 O 0.65077002090148 0.93888756128203 0.45948905770212 15.999 > 99 101 O 0.32448084052182 0.02101605517829 0.80666545746898 15.999 > 101 102 O 0.82448084052182 0.02101605517829 0.80666545746898 15.999 > 101 103 O 0.07448084052182 0.02101605517829 0.69333454253102 15.999 > 103 104 O 0.57448084052182 0.02101605517829 0.69333454253102 15.999 > 103 105 O 0.28143176960557 0.80092862600956 0.16883111227422 15.999 > 105 106 O 0.78143176960557 0.80092862600956 0.16883111227422 15.999 > 105 107 O 0.15220813341697 0.87428278610528 0.97460459014882 15.999 > 107 108 O 0.65220813341697 0.87428278610528 0.97460459014882 15.999 > 107 109 O 0.34922997909852 0.43888756128203 0.04051094229788 15.999 > 109 110 O 0.84922997909852 0.43888756128203 0.04051094229788 15.999 > 109 111 O 0.15220813341697 0.62571721389472 0.47460459014882 15.999 > 111 112 O 0.65220813341697 0.62571721389472 0.47460459014882 15.999 > 111 113 O 0.15077002090148 0.56111243871797 0.95948905770212 15.999 > 113 114 O 0.65077002090148 0.56111243871797 0.95948905770212 15.999 > 113 115 O 0.09779186658303 0.37428278610528 0.97460459014882 15.999 > 115 116 O 0.59779186658303 0.37428278610528 0.97460459014882 15.999 > 115 117 O 0.28143176960557 0.69907137399044 0.66883111227422 15.999 > 117 118 O 0.78143176960557 0.69907137399044 0.66883111227422 15.999 > 117 119 O 0.40220813341697 0.62571721389472 0.02539540985118 15.999 > 119 120 O 0.90220813341697 0.62571721389472 0.02539540985118 15.999 > 119 121 O 0.17551915947818 0.97898394482171 0.19333454253102 15.999 > 121 122 O 0.67551915947818 0.97898394482171 0.19333454253102 15.999 > 121 123 O 0.07448084052182 0.47898394482171 0.19333454253102 15.999 > 123 124 O 0.57448084052182 0.47898394482171 0.19333454253102 15.999 > 123 125 O 0.21856823039443 0.30092862600956 0.33116888772578 15.999 > 125 126 O 0.71856823039443 0.30092862600956 0.33116888772578 15.999 > 125 127 O 0.12499088538980 0.15004428250146 0.23515945285590 15.999 > 127 128 O 0.62499088538980 0.15004428250146 0.23515945285590 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6074767 0.0000000 0.0000000 0.0000000 4.5039017 0.0000000 0.0000000 0.0000000 4.5196717 -------------------------- Born effective charges -------------------------- 1 Er 4.0584559 -0.0026509 0.3719912 0.0713534 4.1041423 -0.1138264 -0.0572856 -0.1544503 3.9633194 2 Er 4.0584559 0.0026509 -0.3719912 -0.0713534 4.1041423 -0.1138264 0.0572856 -0.1544503 3.9633194 3 Er 4.0584559 -0.0026509 -0.3719912 0.0713534 4.1041423 0.1138264 0.0572856 0.1544503 3.9633194 4 Er 4.0584559 0.0026509 -0.3719912 -0.0713534 4.1041423 -0.1138264 0.0572856 -0.1544503 3.9633194 5 Er 4.0584559 -0.0026509 0.3719912 0.0713534 4.1041423 -0.1138264 -0.0572856 -0.1544503 3.9633194 6 Er 4.0584559 -0.0026509 -0.3719912 0.0713534 4.1041423 0.1138264 0.0572856 0.1544503 3.9633194 7 Er 4.0584559 0.0026509 0.3719912 -0.0713534 4.1041423 0.1138264 -0.0572856 0.1544503 3.9633194 8 Er 4.0584559 0.0026509 0.3719912 -0.0713534 4.1041423 0.1138264 -0.0572856 0.1544503 3.9633194 9 Ge 3.2066820 0.0223709 -0.2757284 -0.1310360 3.9832458 0.0955183 -0.4234015 -0.1854726 3.6222404 10 Ge 3.2066820 0.0223709 -0.2757284 -0.1310360 3.9832458 0.0955183 -0.4234015 -0.1854726 3.6222404 11 Ge 3.2066820 -0.0223709 0.2757284 0.1310360 3.9832458 0.0955183 0.4234015 -0.1854726 3.6222404 12 Ge 3.2066820 0.0223709 0.2757284 -0.1310360 3.9832458 -0.0955183 0.4234015 0.1854726 3.6222404 13 Ge 3.2066820 -0.0223709 -0.2757284 0.1310360 3.9832458 -0.0955183 -0.4234015 0.1854726 3.6222404 14 Ge 3.2066820 -0.0223709 -0.2757284 0.1310360 3.9832458 -0.0955183 -0.4234015 0.1854726 3.6222404 15 Ge 3.2066820 -0.0223709 0.2757284 0.1310360 3.9832458 0.0955183 0.4234015 -0.1854726 3.6222404 16 Ge 3.2066820 0.0223709 0.2757284 -0.1310360 3.9832458 -0.0955183 0.4234015 0.1854726 3.6222404 17 Bi 4.4347023 -0.0077938 -0.5020007 0.1444701 3.5253057 0.3898094 -0.6038934 0.4345071 3.9396717 18 Bi 4.4347023 0.0077938 0.5020007 -0.1444701 3.5253057 0.3898094 0.6038934 0.4345071 3.9396717 19 Bi 4.4347023 0.0077938 -0.5020007 -0.1444701 3.5253057 -0.3898094 -0.6038934 -0.4345071 3.9396717 20 Bi 4.4347023 0.0077938 -0.5020007 -0.1444701 3.5253057 -0.3898094 -0.6038934 -0.4345071 3.9396717 21 Bi 4.4347023 -0.0077938 0.5020007 0.1444701 3.5253057 -0.3898094 0.6038934 -0.4345071 3.9396717 22 Bi 4.4347023 -0.0077938 -0.5020007 0.1444701 3.5253057 0.3898094 -0.6038934 0.4345071 3.9396717 23 Bi 4.4347023 0.0077938 0.5020007 -0.1444701 3.5253057 0.3898094 0.6038934 0.4345071 3.9396717 24 Bi 4.4347023 -0.0077938 0.5020007 0.1444701 3.5253057 -0.3898094 0.6038934 -0.4345071 3.9396717 25 O -2.0059965 0.3268681 0.5956969 0.3761439 -2.2331758 0.3278885 0.3308932 0.6977275 -2.6736035 26 O -2.7907823 -0.3357629 -0.6913478 -0.2806007 -2.4494554 0.1029443 -0.2101254 0.1670387 -1.9824713 27 O -2.0059965 0.3268681 -0.5956969 0.3761439 -2.2331758 -0.3278885 -0.3308932 -0.6977275 -2.6736035 28 O -2.7907823 -0.3357629 -0.6913478 -0.2806007 -2.4494554 0.1029443 -0.2101254 0.1670387 -1.9824713 29 O -2.3627999 0.5624643 0.3404714 0.6185186 -2.2102918 -0.0144370 0.4488487 0.0490534 -2.2472011 30 O -2.4724629 -0.3898823 -0.4212866 -0.5299283 -2.3762115 0.9984251 -0.0598001 0.9476579 -2.3383484 31 O -2.3627999 0.5624643 0.3404714 0.6185186 -2.2102918 -0.0144370 0.4488487 0.0490534 -2.2472011 32 O -2.4724629 0.3898823 -0.4212866 0.5299283 -2.3762115 -0.9984251 -0.0598001 -0.9476579 -2.3383484 33 O -2.3627999 -0.5624643 0.3404714 -0.6185186 -2.2102918 0.0144370 0.4488487 -0.0490534 -2.2472011 34 O -2.7907823 0.3357629 -0.6913478 0.2806007 -2.4494554 -0.1029443 -0.2101254 -0.1670387 -1.9824713 35 O -2.3627999 -0.5624643 0.3404714 -0.6185186 -2.2102918 0.0144370 0.4488487 -0.0490534 -2.2472011 36 O -2.4724629 0.3898823 -0.4212866 0.5299283 -2.3762115 -0.9984251 -0.0598001 -0.9476579 -2.3383484 37 O -2.7907823 0.3357629 0.6913478 0.2806007 -2.4494554 0.1029443 0.2101254 0.1670387 -1.9824713 38 O -2.0677986 -0.4447685 0.0049930 -0.5099046 -2.3435592 -0.6921055 0.0682033 -0.6855911 -2.2836073 39 O -2.0677986 0.4447685 0.0049930 0.5099046 -2.3435592 0.6921055 0.0682033 0.6855911 -2.2836073 40 O -2.4724629 0.3898823 0.4212866 0.5299283 -2.3762115 0.9984251 0.0598001 0.9476579 -2.3383484 41 O -2.0059965 0.3268681 0.5956969 0.3761439 -2.2331758 0.3278885 0.3308932 0.6977275 -2.6736035 42 O -2.7907823 0.3357629 0.6913478 0.2806007 -2.4494554 0.1029443 0.2101254 0.1670387 -1.9824713 43 O -2.3627999 -0.5624643 -0.3404714 -0.6185186 -2.2102918 -0.0144370 -0.4488487 0.0490534 -2.2472011 44 O -2.0677986 -0.4447685 -0.0049930 -0.5099046 -2.3435592 0.6921055 -0.0682033 0.6855911 -2.2836073 45 O -2.7907823 -0.3357629 0.6913478 -0.2806007 -2.4494554 -0.1029443 0.2101254 -0.1670387 -1.9824713 46 O -2.0059965 -0.3268681 -0.5956969 -0.3761439 -2.2331758 0.3278885 -0.3308932 0.6977275 -2.6736035 47 O -2.0677986 -0.4447685 -0.0049930 -0.5099046 -2.3435592 0.6921055 -0.0682033 0.6855911 -2.2836073 48 O -2.7907823 0.3357629 -0.6913478 0.2806007 -2.4494554 -0.1029443 -0.2101254 -0.1670387 -1.9824713 49 O -2.4724629 -0.3898823 -0.4212866 -0.5299283 -2.3762115 0.9984251 -0.0598001 0.9476579 -2.3383484 50 O -2.3627999 -0.5624643 -0.3404714 -0.6185186 -2.2102918 -0.0144370 -0.4488487 0.0490534 -2.2472011 51 O -2.0677986 0.4447685 -0.0049930 0.5099046 -2.3435592 -0.6921055 -0.0682033 -0.6855911 -2.2836073 52 O -2.0677986 0.4447685 0.0049930 0.5099046 -2.3435592 0.6921055 0.0682033 0.6855911 -2.2836073 53 O -2.4724629 0.3898823 0.4212866 0.5299283 -2.3762115 0.9984251 0.0598001 0.9476579 -2.3383484 54 O -2.0059965 0.3268681 -0.5956969 0.3761439 -2.2331758 -0.3278885 -0.3308932 -0.6977275 -2.6736035 55 O -2.3627999 0.5624643 -0.3404714 0.6185186 -2.2102918 0.0144370 -0.4488487 -0.0490534 -2.2472011 56 O -2.0059965 -0.3268681 -0.5956969 -0.3761439 -2.2331758 0.3278885 -0.3308932 0.6977275 -2.6736035 57 O -2.3627999 0.5624643 -0.3404714 0.6185186 -2.2102918 0.0144370 -0.4488487 -0.0490534 -2.2472011 58 O -2.0059965 -0.3268681 0.5956969 -0.3761439 -2.2331758 -0.3278885 0.3308932 -0.6977275 -2.6736035 59 O -2.4724629 -0.3898823 0.4212866 -0.5299283 -2.3762115 -0.9984251 0.0598001 -0.9476579 -2.3383484 60 O -2.0059965 -0.3268681 0.5956969 -0.3761439 -2.2331758 -0.3278885 0.3308932 -0.6977275 -2.6736035 61 O -2.0677986 0.4447685 -0.0049930 0.5099046 -2.3435592 -0.6921055 -0.0682033 -0.6855911 -2.2836073 62 O -2.0677986 -0.4447685 0.0049930 -0.5099046 -2.3435592 -0.6921055 0.0682033 -0.6855911 -2.2836073 63 O -2.4724629 -0.3898823 0.4212866 -0.5299283 -2.3762115 -0.9984251 0.0598001 -0.9476579 -2.3383484 64 O -2.7907823 -0.3357629 0.6913478 -0.2806007 -2.4494554 -0.1029443 0.2101254 -0.1670387 -1.9824713 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) 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 ... [ 9 3 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 0.000) 0.000 1.859 ( 0.000 0.000 0.000) 0.000 1.883 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.960 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.745 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.278 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.370 ( 0.000 0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.160 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 4.977 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.336 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.770 ( 0.000 0.000 0.000) 0.000 5.778 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.149 ( 0.000 0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.361 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 6.555 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 7.915 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.317 ( 0.000 0.000 0.000) 0.000 8.469 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.044 ( 0.000 0.000 0.000) 0.000 9.125 ( 0.000 0.000 0.000) 0.000 9.158 ( 0.000 0.000 0.000) 0.000 9.222 ( 0.000 0.000 0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.658 ( 0.000 0.000 0.000) 0.000 9.793 ( 0.000 0.000 0.000) 0.000 9.898 ( 0.000 0.000 0.000) 0.000 10.383 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 0.000) 0.000 10.640 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 10.776 ( 0.000 0.000 0.000) 0.000 10.876 ( 0.000 0.000 0.000) 0.000 10.905 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 0.000) 0.000 11.070 ( 0.000 0.000 0.000) 0.000 11.086 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 11.244 ( 0.000 0.000 0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 11.817 ( 0.000 0.000 0.000) 0.000 12.174 ( 0.000 0.000 0.000) 0.000 12.176 ( 0.000 0.000 0.000) 0.000 12.439 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 12.547 ( 0.000 0.000 0.000) 0.000 12.613 ( 0.000 0.000 0.000) 0.000 12.635 ( 0.000 0.000 0.000) 0.000 12.713 ( 0.000 0.000 0.000) 0.000 12.768 ( 0.000 0.000 0.000) 0.000 12.881 ( 0.000 0.000 0.000) 0.000 12.945 ( 0.000 0.000 0.000) 0.000 13.071 ( 0.000 0.000 0.000) 0.000 13.143 ( 0.000 0.000 0.000) 0.000 13.297 ( 0.000 0.000 0.000) 0.000 13.358 ( 0.000 0.000 0.000) 0.000 13.410 ( 0.000 0.000 0.000) 0.000 13.476 ( 0.000 0.000 0.000) 0.000 13.508 ( 0.000 0.000 0.000) 0.000 13.580 ( 0.000 0.000 0.000) 0.000 13.884 ( 0.000 0.000 0.000) 0.000 13.930 ( 0.000 0.000 0.000) 0.000 14.740 ( 0.000 0.000 0.000) 0.000 14.768 ( 0.000 0.000 0.000) 0.000 15.120 ( 0.000 0.000 0.000) 0.000 15.172 ( 0.000 0.000 0.000) 0.000 15.237 ( 0.000 0.000 0.000) 0.000 15.469 ( 0.000 0.000 0.000) 0.000 15.878 ( 0.000 0.000 0.000) 0.000 16.603 ( 0.000 0.000 0.000) 0.000 17.042 ( 0.000 0.000 0.000) 0.000 17.056 ( 0.000 0.000 0.000) 0.000 17.080 ( 0.000 0.000 0.000) 0.000 17.114 ( 0.000 0.000 0.000) 0.000 19.802 ( 0.000 0.000 0.000) 0.000 19.842 ( 0.000 0.000 0.000) 0.000 19.948 ( 0.000 0.000 0.000) 0.000 19.956 ( 0.000 0.000 0.000) 0.000 19.989 ( 0.000 0.000 0.000) 0.000 20.100 ( 0.000 0.000 0.000) 0.000 20.240 ( 0.000 0.000 0.000) 0.000 20.434 ( 0.000 0.000 0.000) 0.000 20.468 ( 0.000 0.000 0.000) 0.000 20.598 ( 0.000 0.000 0.000) 0.000 20.778 ( 0.000 0.000 0.000) 0.000 20.839 ( 0.000 0.000 0.000) 0.000 20.888 ( 0.000 0.000 0.000) 0.000 21.180 ( 0.000 0.000 0.000) 0.000 21.181 ( 0.000 0.000 0.000) 0.000 21.311 ( 0.000 0.000 0.000) 0.000 21.573 ( 0.000 0.000 0.000) 0.000 21.633 ( 0.000 0.000 0.000) 0.000 22.009 ( 0.000 0.000 0.000) 0.000 22.057 ( 0.000 0.000 0.000) 0.000 22.058 ( 0.000 0.000 0.000) 0.000 22.288 ( 0.000 0.000 0.000) 0.000 22.518 ( 0.000 0.000 0.000) 0.000 22.560 ( 0.000 0.000 0.000) 0.000 22.787 ( 0.000 0.000 0.000) 0.000 22.835 ( 0.000 0.000 0.000) 0.000 22.989 ( 0.000 0.000 0.000) 0.000 22.994 ( 0.000 0.000 0.000) 0.000 23.082 ( 0.000 0.000 0.000) 0.000 23.086 ( 0.000 0.000 0.000) 0.000 23.124 ( 0.000 0.000 0.000) 0.000 23.804 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 25.028 0.000 0.000) 25.028 0.611 ( 28.546 0.000 0.000) 28.546 0.963 ( 42.665 0.000 0.000) 42.665 1.657 ( 2.275 0.000 0.000) 2.275 1.675 ( 0.535 0.000 0.000) 0.535 1.691 ( 1.717 0.000 0.000) 1.717 1.730 ( 12.766 0.000 0.000) 12.766 1.856 ( 0.768 0.000 0.000) 0.768 1.866 ( -0.313 0.000 0.000) 0.313 1.870 ( 3.602 0.000 0.000) 3.602 1.939 ( 3.416 0.000 0.000) 3.416 2.047 ( 7.236 0.000 0.000) 7.236 2.175 ( -4.914 0.000 0.000) 4.914 2.215 ( -1.086 0.000 0.000) 1.086 2.450 ( -3.679 0.000 0.000) 3.679 2.468 ( 6.536 0.000 0.000) 6.536 2.575 ( 3.146 0.000 0.000) 3.146 2.642 ( 5.968 0.000 0.000) 5.968 2.678 ( -0.059 0.000 0.000) 0.059 2.782 ( -1.375 0.000 0.000) 1.375 2.806 ( -2.010 0.000 0.000) 2.010 2.848 ( -2.364 0.000 0.000) 2.364 2.902 ( 11.871 0.000 0.000) 11.871 2.903 ( -1.493 0.000 0.000) 1.493 2.923 ( 3.903 0.000 0.000) 3.903 3.060 ( -0.546 0.000 0.000) 0.546 3.060 ( -3.918 0.000 0.000) 3.918 3.103 ( -4.455 0.000 0.000) 4.455 3.206 ( 2.090 0.000 0.000) 2.090 3.226 ( -4.707 0.000 0.000) 4.707 3.302 ( -1.307 0.000 0.000) 1.307 3.373 ( 0.807 0.000 0.000) 0.807 3.382 ( 12.982 0.000 0.000) 12.982 3.386 ( 11.529 0.000 0.000) 11.529 3.460 ( -3.431 0.000 0.000) 3.431 3.559 ( -1.131 0.000 0.000) 1.131 3.580 ( -1.901 0.000 0.000) 1.901 3.626 ( -1.683 0.000 0.000) 1.683 3.750 ( 1.847 0.000 0.000) 1.847 3.773 ( 4.020 0.000 0.000) 4.020 3.979 ( -0.505 0.000 0.000) 0.505 4.037 ( -8.433 0.000 0.000) 8.433 4.155 ( -8.040 0.000 0.000) 8.040 4.187 ( 4.145 0.000 0.000) 4.145 4.291 ( 2.504 0.000 0.000) 2.504 4.369 ( -4.430 0.000 0.000) 4.430 4.370 ( 2.106 0.000 0.000) 2.106 4.558 ( 6.962 0.000 0.000) 6.962 4.612 ( -9.959 0.000 0.000) 9.959 4.612 ( 3.153 0.000 0.000) 3.153 4.719 ( -6.303 0.000 0.000) 6.303 4.775 ( -5.258 0.000 0.000) 5.258 4.853 ( -3.343 0.000 0.000) 3.343 4.926 ( -6.113 0.000 0.000) 6.113 4.990 ( 0.603 0.000 0.000) 0.603 5.005 ( -2.705 0.000 0.000) 2.705 5.027 ( 6.475 0.000 0.000) 6.475 5.244 ( -1.114 0.000 0.000) 1.114 5.251 ( 3.746 0.000 0.000) 3.746 5.318 ( -2.096 0.000 0.000) 2.096 5.375 ( -2.668 0.000 0.000) 2.668 5.535 ( 2.634 0.000 0.000) 2.634 5.559 ( 6.358 0.000 0.000) 6.358 5.639 ( -1.459 0.000 0.000) 1.459 5.665 ( 0.549 0.000 0.000) 0.549 5.727 ( -4.509 0.000 0.000) 4.509 5.750 ( -2.094 0.000 0.000) 2.094 5.795 ( 2.039 0.000 0.000) 2.039 5.928 ( 3.323 0.000 0.000) 3.323 6.011 ( -0.203 0.000 0.000) 0.203 6.024 ( -0.555 0.000 0.000) 0.555 6.096 ( 0.841 0.000 0.000) 0.841 6.176 ( -4.481 0.000 0.000) 4.481 6.273 ( 1.639 0.000 0.000) 1.639 6.311 ( -2.396 0.000 0.000) 2.396 6.317 ( -6.104 0.000 0.000) 6.104 6.354 ( 0.419 0.000 0.000) 0.419 6.372 ( -0.728 0.000 0.000) 0.728 6.482 ( -6.700 0.000 0.000) 6.700 6.537 ( -2.073 0.000 0.000) 2.073 6.645 ( 2.546 0.000 0.000) 2.546 7.023 ( 0.379 0.000 0.000) 0.379 7.080 ( 4.348 0.000 0.000) 4.348 7.094 ( 4.219 0.000 0.000) 4.219 7.274 ( 5.367 0.000 0.000) 5.367 7.353 ( 6.108 0.000 0.000) 6.108 7.429 ( 1.734 0.000 0.000) 1.734 7.481 ( 1.098 0.000 0.000) 1.098 7.889 ( 0.452 0.000 0.000) 0.452 7.937 ( 2.798 0.000 0.000) 2.798 7.977 ( -0.714 0.000 0.000) 0.714 8.162 ( 3.549 0.000 0.000) 3.549 8.269 ( 3.015 0.000 0.000) 3.015 8.283 ( -1.622 0.000 0.000) 1.622 8.401 ( 3.016 0.000 0.000) 3.016 8.477 ( -1.430 0.000 0.000) 1.430 8.483 ( 1.516 0.000 0.000) 1.516 8.985 ( -4.046 0.000 0.000) 4.046 8.988 ( -2.785 0.000 0.000) 2.785 9.087 ( -18.128 0.000 0.000) 18.128 9.209 ( 5.609 0.000 0.000) 5.609 9.365 ( 14.851 0.000 0.000) 14.851 9.420 ( 16.058 0.000 0.000) 16.058 9.487 ( 0.675 0.000 0.000) 0.675 9.525 ( 1.749 0.000 0.000) 1.749 9.549 ( -9.516 0.000 0.000) 9.516 9.832 ( 2.662 0.000 0.000) 2.662 9.903 ( 8.693 0.000 0.000) 8.693 9.936 ( 2.092 0.000 0.000) 2.092 10.036 ( -13.443 0.000 0.000) 13.443 10.470 ( 3.292 0.000 0.000) 3.292 10.476 ( -9.753 0.000 0.000) 9.753 10.495 ( -7.735 0.000 0.000) 7.735 10.622 ( -1.379 0.000 0.000) 1.379 10.709 ( -5.976 0.000 0.000) 5.976 10.798 ( 1.551 0.000 0.000) 1.551 10.808 ( 17.605 0.000 0.000) 17.605 10.865 ( -3.097 0.000 0.000) 3.097 10.924 ( -10.683 0.000 0.000) 10.683 11.106 ( 3.527 0.000 0.000) 3.527 11.205 ( 4.720 0.000 0.000) 4.720 11.289 ( 24.489 0.000 0.000) 24.489 11.379 ( 9.614 0.000 0.000) 9.614 11.403 ( 3.343 0.000 0.000) 3.343 11.828 ( -0.422 0.000 0.000) 0.422 12.119 ( -4.827 0.000 0.000) 4.827 12.207 ( 2.102 0.000 0.000) 2.102 12.365 ( -8.338 0.000 0.000) 8.338 12.384 ( 0.853 0.000 0.000) 0.853 12.412 ( -8.542 0.000 0.000) 8.542 12.520 ( -1.773 0.000 0.000) 1.773 12.542 ( 9.054 0.000 0.000) 9.054 12.783 ( 4.967 0.000 0.000) 4.967 12.824 ( -3.386 0.000 0.000) 3.386 12.825 ( 8.418 0.000 0.000) 8.418 12.827 ( -4.292 0.000 0.000) 4.292 12.864 ( 10.918 0.000 0.000) 10.918 13.045 ( 7.606 0.000 0.000) 7.606 13.120 ( -1.891 0.000 0.000) 1.891 13.289 ( 2.941 0.000 0.000) 2.941 13.368 ( 1.250 0.000 0.000) 1.250 13.490 ( 1.282 0.000 0.000) 1.282 13.515 ( 16.045 0.000 0.000) 16.045 13.566 ( 4.474 0.000 0.000) 4.474 13.619 ( 4.022 0.000 0.000) 4.022 13.890 ( 0.627 0.000 0.000) 0.627 13.936 ( 0.398 0.000 0.000) 0.398 14.695 ( -3.601 0.000 0.000) 3.601 14.775 ( 0.369 0.000 0.000) 0.369 14.874 ( 0.357 0.000 0.000) 0.357 15.078 ( -3.817 0.000 0.000) 3.817 15.185 ( 1.255 0.000 0.000) 1.255 15.224 ( -1.240 0.000 0.000) 1.240 15.365 ( -9.084 0.000 0.000) 9.084 15.934 ( -3.908 0.000 0.000) 3.908 16.428 ( -15.367 0.000 0.000) 15.367 16.967 ( -8.260 0.000 0.000) 8.260 16.992 ( -4.901 0.000 0.000) 4.901 17.020 ( -5.770 0.000 0.000) 5.770 17.044 ( -6.860 0.000 0.000) 6.860 19.750 ( -3.714 0.000 0.000) 3.714 19.855 ( 1.150 0.000 0.000) 1.150 19.917 ( -6.298 0.000 0.000) 6.298 19.955 ( 0.656 0.000 0.000) 0.656 20.099 ( 0.132 0.000 0.000) 0.132 20.292 ( 5.581 0.000 0.000) 5.581 20.308 ( -6.471 0.000 0.000) 6.471 20.311 ( -3.814 0.000 0.000) 3.814 20.545 ( 3.037 0.000 0.000) 3.037 20.792 ( 14.131 0.000 0.000) 14.131 20.830 ( -1.268 0.000 0.000) 1.268 20.958 ( 14.268 0.000 0.000) 14.268 21.074 ( -9.423 0.000 0.000) 9.423 21.124 ( -4.359 0.000 0.000) 4.359 21.331 ( 0.445 0.000 0.000) 0.445 21.513 ( -4.817 0.000 0.000) 4.817 21.562 ( -5.529 0.000 0.000) 5.529 21.894 ( -7.409 0.000 0.000) 7.409 22.141 ( 6.764 0.000 0.000) 6.764 22.151 ( 7.785 0.000 0.000) 7.785 22.225 ( 4.769 0.000 0.000) 4.769 22.296 ( 1.048 0.000 0.000) 1.048 22.525 ( 0.599 0.000 0.000) 0.599 22.571 ( 0.160 0.000 0.000) 0.160 22.788 ( 0.234 0.000 0.000) 0.234 22.834 ( -0.057 0.000 0.000) 0.057 22.994 ( -0.073 0.000 0.000) 0.073 23.008 ( 1.542 0.000 0.000) 1.542 23.044 ( -3.355 0.000 0.000) 3.355 23.073 ( -0.830 0.000 0.000) 0.830 23.119 ( -0.464 0.000 0.000) 0.464 23.790 ( -13.084 0.000 0.000) 13.084 ======================= Grid point 2 (3/30) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 22.793 0.000 0.000) 22.793 1.182 ( 25.366 0.000 0.000) 25.366 1.560 ( 6.720 0.000 0.000) 6.720 1.696 ( 1.284 0.000 0.000) 1.284 1.699 ( -1.775 0.000 0.000) 1.775 1.840 ( -2.753 0.000 0.000) 2.753 1.859 ( 21.324 0.000 0.000) 21.324 1.879 ( 2.085 0.000 0.000) 2.085 1.922 ( 6.412 0.000 0.000) 6.412 2.024 ( 0.288 0.000 0.000) 0.288 2.040 ( 6.122 0.000 0.000) 6.122 2.067 ( 2.749 0.000 0.000) 2.749 2.235 ( 9.985 0.000 0.000) 9.985 2.253 ( 4.968 0.000 0.000) 4.968 2.419 ( 2.000 0.000 0.000) 2.000 2.578 ( 2.557 0.000 0.000) 2.557 2.678 ( -0.056 0.000 0.000) 0.056 2.715 ( 7.100 0.000 0.000) 7.100 2.734 ( -2.944 0.000 0.000) 2.944 2.753 ( -2.202 0.000 0.000) 2.202 2.754 ( -1.849 0.000 0.000) 1.849 2.793 ( 3.264 0.000 0.000) 3.264 2.892 ( 1.967 0.000 0.000) 1.967 2.907 ( 0.532 0.000 0.000) 0.532 2.978 ( -5.339 0.000 0.000) 5.339 3.037 ( 0.822 0.000 0.000) 0.822 3.099 ( -6.438 0.000 0.000) 6.438 3.141 ( 4.617 0.000 0.000) 4.617 3.202 ( 6.107 0.000 0.000) 6.107 3.314 ( 8.611 0.000 0.000) 8.611 3.382 ( 12.243 0.000 0.000) 12.243 3.391 ( 0.757 0.000 0.000) 0.757 3.457 ( 6.800 0.000 0.000) 6.800 3.492 ( -2.012 0.000 0.000) 2.012 3.503 ( -5.220 0.000 0.000) 5.220 3.545 ( -3.744 0.000 0.000) 3.744 3.591 ( 5.857 0.000 0.000) 5.857 3.687 ( 9.952 0.000 0.000) 9.952 3.814 ( 4.053 0.000 0.000) 4.053 3.858 ( 4.434 0.000 0.000) 4.434 3.875 ( -6.012 0.000 0.000) 6.012 3.961 ( -1.216 0.000 0.000) 1.216 4.037 ( -2.146 0.000 0.000) 2.146 4.211 ( -3.225 0.000 0.000) 3.225 4.254 ( -5.716 0.000 0.000) 5.716 4.340 ( 1.995 0.000 0.000) 1.995 4.360 ( -1.676 0.000 0.000) 1.676 4.431 ( -6.140 0.000 0.000) 6.140 4.571 ( -5.132 0.000 0.000) 5.132 4.635 ( -7.057 0.000 0.000) 7.057 4.726 ( 8.995 0.000 0.000) 8.995 4.729 ( -11.821 0.000 0.000) 11.821 4.741 ( 5.982 0.000 0.000) 5.982 4.757 ( -5.272 0.000 0.000) 5.272 4.942 ( -2.636 0.000 0.000) 2.636 4.991 ( -0.730 0.000 0.000) 0.730 5.134 ( 3.789 0.000 0.000) 3.789 5.248 ( -3.522 0.000 0.000) 3.522 5.266 ( 3.827 0.000 0.000) 3.827 5.343 ( 4.509 0.000 0.000) 4.509 5.346 ( 0.305 0.000 0.000) 0.305 5.524 ( -8.336 0.000 0.000) 8.336 5.566 ( -0.012 0.000 0.000) 0.012 5.601 ( -2.748 0.000 0.000) 2.748 5.677 ( 0.676 0.000 0.000) 0.676 5.708 ( 3.631 0.000 0.000) 3.631 5.839 ( 1.904 0.000 0.000) 1.904 5.850 ( 6.813 0.000 0.000) 6.813 5.915 ( -6.348 0.000 0.000) 6.348 5.979 ( -3.582 0.000 0.000) 3.582 6.004 ( -0.629 0.000 0.000) 0.629 6.058 ( -4.910 0.000 0.000) 4.910 6.106 ( -8.920 0.000 0.000) 8.920 6.154 ( 2.205 0.000 0.000) 2.205 6.219 ( -6.255 0.000 0.000) 6.255 6.271 ( -2.917 0.000 0.000) 2.917 6.300 ( -9.976 0.000 0.000) 9.976 6.374 ( 0.985 0.000 0.000) 0.985 6.387 ( 4.212 0.000 0.000) 4.212 6.497 ( -1.726 0.000 0.000) 1.726 6.769 ( 8.004 0.000 0.000) 8.004 7.081 ( 4.070 0.000 0.000) 4.070 7.165 ( 1.536 0.000 0.000) 1.536 7.186 ( 4.413 0.000 0.000) 4.413 7.317 ( -0.692 0.000 0.000) 0.692 7.476 ( -2.193 0.000 0.000) 2.193 7.490 ( 4.290 0.000 0.000) 4.290 7.504 ( 7.743 0.000 0.000) 7.743 7.909 ( 1.543 0.000 0.000) 1.543 7.965 ( -0.356 0.000 0.000) 0.356 8.032 ( 5.219 0.000 0.000) 5.219 8.240 ( 3.347 0.000 0.000) 3.347 8.262 ( -0.490 0.000 0.000) 0.490 8.352 ( 4.535 0.000 0.000) 4.535 8.443 ( -1.609 0.000 0.000) 1.609 8.447 ( 0.692 0.000 0.000) 0.692 8.548 ( 4.849 0.000 0.000) 4.849 8.715 ( -12.918 0.000 0.000) 12.918 8.876 ( -6.316 0.000 0.000) 6.316 8.899 ( -5.671 0.000 0.000) 5.671 9.298 ( 2.057 0.000 0.000) 2.057 9.309 ( -12.213 0.000 0.000) 12.213 9.499 ( -13.822 0.000 0.000) 13.822 9.573 ( 2.577 0.000 0.000) 2.577 9.600 ( 9.415 0.000 0.000) 9.415 9.605 ( 6.127 0.000 0.000) 6.127 9.951 ( 7.659 0.000 0.000) 7.659 9.992 ( 16.656 0.000 0.000) 16.656 10.112 ( 8.832 0.000 0.000) 8.832 10.124 ( 10.403 0.000 0.000) 10.403 10.242 ( -11.430 0.000 0.000) 11.430 10.322 ( -8.757 0.000 0.000) 8.757 10.557 ( -7.934 0.000 0.000) 7.934 10.658 ( 4.726 0.000 0.000) 4.726 10.660 ( 15.640 0.000 0.000) 15.640 10.686 ( -10.927 0.000 0.000) 10.927 10.707 ( -6.353 0.000 0.000) 6.353 10.801 ( -4.342 0.000 0.000) 4.342 11.036 ( 3.995 0.000 0.000) 3.995 11.278 ( 10.631 0.000 0.000) 10.631 11.433 ( 15.571 0.000 0.000) 15.571 11.461 ( 1.775 0.000 0.000) 1.775 11.589 ( 9.266 0.000 0.000) 9.266 11.724 ( 15.985 0.000 0.000) 15.985 11.728 ( -9.259 0.000 0.000) 9.259 11.996 ( -6.032 0.000 0.000) 6.032 12.129 ( -13.007 0.000 0.000) 13.007 12.214 ( -0.895 0.000 0.000) 0.895 12.332 ( 0.320 0.000 0.000) 0.320 12.394 ( 0.024 0.000 0.000) 0.024 12.461 ( -3.057 0.000 0.000) 3.057 12.733 ( -4.450 0.000 0.000) 4.450 12.746 ( -3.736 0.000 0.000) 3.736 12.761 ( 7.087 0.000 0.000) 7.087 12.959 ( 3.816 0.000 0.000) 3.816 12.965 ( 14.838 0.000 0.000) 14.838 13.070 ( -2.869 0.000 0.000) 2.869 13.228 ( 21.806 0.000 0.000) 21.806 13.239 ( 10.227 0.000 0.000) 10.227 13.398 ( 6.826 0.000 0.000) 6.826 13.441 ( 8.042 0.000 0.000) 8.042 13.525 ( 1.978 0.000 0.000) 1.978 13.660 ( 3.985 0.000 0.000) 3.985 13.788 ( 14.038 0.000 0.000) 14.038 13.912 ( 1.316 0.000 0.000) 1.316 13.934 ( -1.005 0.000 0.000) 1.005 13.979 ( 27.515 0.000 0.000) 27.515 14.613 ( -3.598 0.000 0.000) 3.598 14.790 ( 1.326 0.000 0.000) 1.326 14.884 ( 0.214 0.000 0.000) 0.214 14.977 ( -5.337 0.000 0.000) 5.337 15.146 ( -10.069 0.000 0.000) 10.069 15.186 ( -2.364 0.000 0.000) 2.364 15.234 ( 3.883 0.000 0.000) 3.883 15.815 ( -7.147 0.000 0.000) 7.147 16.032 ( -20.882 0.000 0.000) 20.882 16.712 ( -16.160 0.000 0.000) 16.160 16.817 ( -15.028 0.000 0.000) 15.028 16.827 ( -11.571 0.000 0.000) 11.571 16.842 ( -10.662 0.000 0.000) 10.662 19.685 ( -2.028 0.000 0.000) 2.028 19.785 ( -5.363 0.000 0.000) 5.363 19.881 ( 0.992 0.000 0.000) 0.992 19.978 ( 1.641 0.000 0.000) 1.641 20.112 ( 1.000 0.000 0.000) 1.000 20.135 ( -9.261 0.000 0.000) 9.261 20.291 ( 1.377 0.000 0.000) 1.377 20.437 ( 7.151 0.000 0.000) 7.151 20.624 ( 4.523 0.000 0.000) 4.523 20.774 ( -4.091 0.000 0.000) 4.091 20.835 ( -11.976 0.000 0.000) 11.976 21.021 ( -5.034 0.000 0.000) 5.034 21.082 ( 11.544 0.000 0.000) 11.544 21.268 ( 12.044 0.000 0.000) 12.044 21.298 ( -3.551 0.000 0.000) 3.551 21.415 ( -3.003 0.000 0.000) 3.003 21.463 ( -1.055 0.000 0.000) 1.055 21.741 ( -7.085 0.000 0.000) 7.085 22.293 ( 7.004 0.000 0.000) 7.004 22.295 ( 1.652 0.000 0.000) 1.652 22.315 ( -0.719 0.000 0.000) 0.719 22.336 ( 8.936 0.000 0.000) 8.936 22.538 ( 0.498 0.000 0.000) 0.498 22.546 ( -1.678 0.000 0.000) 1.678 22.805 ( 1.595 0.000 0.000) 1.595 22.842 ( 1.107 0.000 0.000) 1.107 22.980 ( -2.246 0.000 0.000) 2.246 22.989 ( -0.436 0.000 0.000) 0.436 23.038 ( 0.893 0.000 0.000) 0.893 23.049 ( -1.454 0.000 0.000) 1.454 23.106 ( -0.759 0.000 0.000) 0.759 23.463 ( -16.264 0.000 0.000) 16.264 ======================= Grid point 3 (4/30) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 18.326 0.000 0.000) 18.326 1.586 ( -0.438 0.000 0.000) 0.438 1.627 ( -4.168 0.000 0.000) 4.168 1.631 ( 14.221 0.000 0.000) 14.221 1.711 ( 0.078 0.000 0.000) 0.078 1.768 ( -2.740 0.000 0.000) 2.740 1.840 ( -3.658 0.000 0.000) 3.658 1.967 ( 0.778 0.000 0.000) 0.778 2.053 ( 6.467 0.000 0.000) 6.467 2.167 ( 4.992 0.000 0.000) 4.992 2.190 ( 3.923 0.000 0.000) 3.923 2.211 ( 8.718 0.000 0.000) 8.718 2.400 ( 7.717 0.000 0.000) 7.717 2.430 ( 7.418 0.000 0.000) 7.418 2.502 ( 1.405 0.000 0.000) 1.405 2.583 ( -0.924 0.000 0.000) 0.924 2.640 ( -1.645 0.000 0.000) 1.645 2.644 ( -1.224 0.000 0.000) 1.224 2.683 ( 4.706 0.000 0.000) 4.706 2.780 ( 3.320 0.000 0.000) 3.320 2.825 ( -3.778 0.000 0.000) 3.778 2.858 ( -2.211 0.000 0.000) 2.211 2.932 ( -0.050 0.000 0.000) 0.050 2.942 ( 5.490 0.000 0.000) 5.490 3.002 ( -3.082 0.000 0.000) 3.082 3.029 ( -2.768 0.000 0.000) 2.768 3.036 ( 8.771 0.000 0.000) 8.771 3.174 ( 4.049 0.000 0.000) 4.049 3.253 ( -0.505 0.000 0.000) 0.505 3.350 ( 0.040 0.000 0.000) 0.040 3.367 ( -8.600 0.000 0.000) 8.600 3.385 ( -4.835 0.000 0.000) 4.835 3.501 ( 0.090 0.000 0.000) 0.090 3.582 ( 3.257 0.000 0.000) 3.257 3.591 ( -4.101 0.000 0.000) 4.101 3.664 ( 9.675 0.000 0.000) 9.675 3.671 ( 15.100 0.000 0.000) 15.100 3.801 ( -1.556 0.000 0.000) 1.556 3.835 ( -4.116 0.000 0.000) 4.116 3.906 ( 11.146 0.000 0.000) 11.146 3.999 ( 6.434 0.000 0.000) 6.434 4.019 ( 8.386 0.000 0.000) 8.386 4.055 ( 3.422 0.000 0.000) 3.422 4.113 ( -2.784 0.000 0.000) 2.784 4.161 ( -1.854 0.000 0.000) 1.854 4.337 ( -3.849 0.000 0.000) 3.849 4.364 ( 2.547 0.000 0.000) 2.547 4.378 ( 1.496 0.000 0.000) 1.496 4.488 ( -2.852 0.000 0.000) 2.852 4.500 ( -6.943 0.000 0.000) 6.943 4.529 ( -2.124 0.000 0.000) 2.124 4.650 ( -4.768 0.000 0.000) 4.768 4.822 ( 1.154 0.000 0.000) 1.154 4.887 ( 3.284 0.000 0.000) 3.284 4.940 ( 5.249 0.000 0.000) 5.249 4.954 ( -3.043 0.000 0.000) 3.043 5.157 ( -0.084 0.000 0.000) 0.084 5.220 ( -2.093 0.000 0.000) 2.093 5.360 ( -0.936 0.000 0.000) 0.936 5.381 ( -2.805 0.000 0.000) 2.805 5.392 ( 6.588 0.000 0.000) 6.588 5.423 ( 2.846 0.000 0.000) 2.846 5.502 ( -5.100 0.000 0.000) 5.100 5.536 ( -2.554 0.000 0.000) 2.554 5.665 ( -3.625 0.000 0.000) 3.625 5.762 ( -5.407 0.000 0.000) 5.407 5.799 ( 3.477 0.000 0.000) 3.477 5.871 ( 1.268 0.000 0.000) 1.268 5.888 ( -5.541 0.000 0.000) 5.541 5.893 ( -4.907 0.000 0.000) 4.907 5.927 ( 0.567 0.000 0.000) 0.567 5.967 ( -3.864 0.000 0.000) 3.864 5.972 ( -2.894 0.000 0.000) 2.894 6.056 ( -8.541 0.000 0.000) 8.541 6.104 ( -6.460 0.000 0.000) 6.460 6.208 ( -2.931 0.000 0.000) 2.931 6.293 ( 6.483 0.000 0.000) 6.483 6.384 ( -0.102 0.000 0.000) 0.102 6.464 ( -1.263 0.000 0.000) 1.263 6.472 ( 2.573 0.000 0.000) 2.573 6.938 ( 7.614 0.000 0.000) 7.614 7.159 ( -1.264 0.000 0.000) 1.264 7.160 ( 2.967 0.000 0.000) 2.967 7.234 ( -0.002 0.000 0.000) 0.002 7.280 ( -2.206 0.000 0.000) 2.206 7.395 ( -4.695 0.000 0.000) 4.695 7.600 ( 5.659 0.000 0.000) 5.659 7.656 ( 6.193 0.000 0.000) 6.193 7.951 ( 2.233 0.000 0.000) 2.233 7.961 ( -0.027 0.000 0.000) 0.027 8.122 ( 3.041 0.000 0.000) 3.041 8.237 ( -2.253 0.000 0.000) 2.253 8.300 ( 2.832 0.000 0.000) 2.832 8.416 ( -0.675 0.000 0.000) 0.675 8.430 ( -0.712 0.000 0.000) 0.712 8.443 ( 3.655 0.000 0.000) 3.655 8.608 ( 0.499 0.000 0.000) 0.499 8.660 ( 4.629 0.000 0.000) 4.629 8.739 ( -5.948 0.000 0.000) 5.948 8.761 ( -7.008 0.000 0.000) 7.008 9.079 ( -9.075 0.000 0.000) 9.075 9.163 ( -15.275 0.000 0.000) 15.275 9.332 ( 1.950 0.000 0.000) 1.950 9.603 ( -1.018 0.000 0.000) 1.018 9.685 ( 3.305 0.000 0.000) 3.305 9.816 ( 10.308 0.000 0.000) 10.308 10.055 ( -4.593 0.000 0.000) 4.593 10.124 ( 8.416 0.000 0.000) 8.416 10.132 ( -9.257 0.000 0.000) 9.257 10.244 ( 6.176 0.000 0.000) 6.176 10.259 ( 1.648 0.000 0.000) 1.648 10.376 ( 14.965 0.000 0.000) 14.965 10.381 ( -8.795 0.000 0.000) 8.795 10.507 ( -5.894 0.000 0.000) 5.894 10.571 ( -6.345 0.000 0.000) 6.345 10.728 ( -2.012 0.000 0.000) 2.012 10.813 ( 8.953 0.000 0.000) 8.953 11.049 ( 17.838 0.000 0.000) 17.838 11.072 ( 1.740 0.000 0.000) 1.740 11.369 ( -4.357 0.000 0.000) 4.357 11.448 ( -14.232 0.000 0.000) 14.232 11.562 ( 8.809 0.000 0.000) 8.809 11.712 ( 9.497 0.000 0.000) 9.497 11.781 ( 6.857 0.000 0.000) 6.857 11.867 ( -2.261 0.000 0.000) 2.261 11.872 ( -10.430 0.000 0.000) 10.430 12.010 ( 8.909 0.000 0.000) 8.909 12.212 ( 0.570 0.000 0.000) 0.570 12.339 ( -0.572 0.000 0.000) 0.572 12.379 ( -1.729 0.000 0.000) 1.729 12.408 ( -1.473 0.000 0.000) 1.473 12.633 ( -5.282 0.000 0.000) 5.282 12.692 ( -0.681 0.000 0.000) 0.681 12.854 ( 3.267 0.000 0.000) 3.267 12.968 ( -2.953 0.000 0.000) 2.953 13.006 ( -2.971 0.000 0.000) 2.971 13.256 ( 10.704 0.000 0.000) 10.704 13.433 ( 7.474 0.000 0.000) 7.474 13.494 ( 6.890 0.000 0.000) 6.890 13.563 ( 8.761 0.000 0.000) 8.761 13.570 ( 2.071 0.000 0.000) 2.071 13.713 ( 0.608 0.000 0.000) 0.608 13.871 ( -5.308 0.000 0.000) 5.308 13.927 ( -0.523 0.000 0.000) 0.523 13.985 ( 38.471 0.000 0.000) 38.471 14.284 ( 32.576 0.000 0.000) 32.576 14.573 ( 0.400 0.000 0.000) 0.400 14.610 ( 30.443 0.000 0.000) 30.443 14.845 ( 4.274 0.000 0.000) 4.274 14.858 ( -2.776 0.000 0.000) 2.776 14.890 ( -1.495 0.000 0.000) 1.495 14.997 ( -3.900 0.000 0.000) 3.900 15.129 ( -2.836 0.000 0.000) 2.836 15.356 ( 6.389 0.000 0.000) 6.389 15.597 ( -19.912 0.000 0.000) 19.912 15.679 ( -3.016 0.000 0.000) 3.016 16.285 ( -24.733 0.000 0.000) 24.733 16.408 ( -24.067 0.000 0.000) 24.067 16.504 ( -18.994 0.000 0.000) 18.994 16.571 ( -15.322 0.000 0.000) 15.322 19.672 ( 0.724 0.000 0.000) 0.724 19.709 ( -1.648 0.000 0.000) 1.648 19.868 ( -3.160 0.000 0.000) 3.160 19.956 ( -6.913 0.000 0.000) 6.913 20.025 ( 2.778 0.000 0.000) 2.778 20.133 ( 0.751 0.000 0.000) 0.751 20.347 ( 3.584 0.000 0.000) 3.584 20.557 ( 3.681 0.000 0.000) 3.681 20.626 ( -6.875 0.000 0.000) 6.875 20.667 ( -5.803 0.000 0.000) 5.803 20.731 ( 5.566 0.000 0.000) 5.566 20.931 ( -3.145 0.000 0.000) 3.145 21.153 ( -3.700 0.000 0.000) 3.700 21.197 ( -5.666 0.000 0.000) 5.666 21.320 ( -0.762 0.000 0.000) 0.762 21.507 ( 10.904 0.000 0.000) 10.904 21.597 ( -6.682 0.000 0.000) 6.682 21.661 ( 13.909 0.000 0.000) 13.909 22.211 ( -8.596 0.000 0.000) 8.596 22.285 ( -2.915 0.000 0.000) 2.915 22.415 ( 4.451 0.000 0.000) 4.451 22.493 ( 5.583 0.000 0.000) 5.583 22.540 ( -0.466 0.000 0.000) 0.466 22.550 ( 1.623 0.000 0.000) 1.623 22.856 ( 2.962 0.000 0.000) 2.962 22.888 ( 3.310 0.000 0.000) 3.310 22.953 ( -0.434 0.000 0.000) 0.434 22.980 ( -0.113 0.000 0.000) 0.113 23.015 ( -1.670 0.000 0.000) 1.670 23.022 ( -3.122 0.000 0.000) 3.122 23.084 ( -1.456 0.000 0.000) 1.456 23.181 ( -8.970 0.000 0.000) 8.970 ======================= Grid point 4 (5/30) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -0.312 0.000 0.000) 0.312 1.587 ( 1.043 0.000 0.000) 1.043 1.627 ( -5.269 0.000 0.000) 5.269 1.631 ( -2.300 0.000 0.000) 2.300 1.766 ( 2.549 0.000 0.000) 2.549 1.842 ( -3.070 0.000 0.000) 3.070 1.866 ( 13.730 0.000 0.000) 13.730 2.085 ( -5.413 0.000 0.000) 5.413 2.094 ( 9.575 0.000 0.000) 9.575 2.214 ( -1.226 0.000 0.000) 1.226 2.274 ( 5.204 0.000 0.000) 5.204 2.350 ( 7.517 0.000 0.000) 7.517 2.412 ( -7.133 0.000 0.000) 7.133 2.511 ( 2.351 0.000 0.000) 2.351 2.519 ( -6.539 0.000 0.000) 6.539 2.523 ( 1.715 0.000 0.000) 1.715 2.704 ( 6.581 0.000 0.000) 6.581 2.719 ( 6.933 0.000 0.000) 6.933 2.773 ( 0.657 0.000 0.000) 0.657 2.817 ( -0.977 0.000 0.000) 0.977 2.823 ( -1.322 0.000 0.000) 1.322 2.906 ( -7.014 0.000 0.000) 7.014 2.915 ( -0.776 0.000 0.000) 0.776 2.920 ( 14.058 0.000 0.000) 14.058 2.933 ( -3.992 0.000 0.000) 3.992 3.052 ( 2.961 0.000 0.000) 2.961 3.079 ( -0.553 0.000 0.000) 0.553 3.178 ( -8.033 0.000 0.000) 8.033 3.253 ( 0.536 0.000 0.000) 0.536 3.294 ( 1.421 0.000 0.000) 1.421 3.311 ( -2.028 0.000 0.000) 2.028 3.325 ( -2.718 0.000 0.000) 2.718 3.527 ( -1.034 0.000 0.000) 1.034 3.535 ( -2.359 0.000 0.000) 2.359 3.557 ( 5.393 0.000 0.000) 5.393 3.700 ( -6.803 0.000 0.000) 6.803 3.752 ( -0.262 0.000 0.000) 0.262 3.771 ( -1.639 0.000 0.000) 1.639 3.926 ( 6.334 0.000 0.000) 6.334 3.992 ( -2.331 0.000 0.000) 2.331 4.118 ( 6.908 0.000 0.000) 6.908 4.131 ( 3.646 0.000 0.000) 3.646 4.161 ( 2.902 0.000 0.000) 2.902 4.168 ( 1.369 0.000 0.000) 1.369 4.208 ( 5.046 0.000 0.000) 5.046 4.269 ( -2.404 0.000 0.000) 2.404 4.378 ( 1.740 0.000 0.000) 1.740 4.438 ( -2.113 0.000 0.000) 2.113 4.476 ( 7.657 0.000 0.000) 7.657 4.529 ( 0.735 0.000 0.000) 0.735 4.545 ( 4.959 0.000 0.000) 4.959 4.562 ( -3.188 0.000 0.000) 3.188 4.798 ( -2.548 0.000 0.000) 2.548 4.836 ( -7.573 0.000 0.000) 7.573 4.956 ( 5.011 0.000 0.000) 5.011 5.082 ( 6.940 0.000 0.000) 6.940 5.092 ( -7.296 0.000 0.000) 7.296 5.186 ( -0.476 0.000 0.000) 0.476 5.314 ( 1.634 0.000 0.000) 1.634 5.385 ( 1.738 0.000 0.000) 1.738 5.430 ( -5.306 0.000 0.000) 5.306 5.446 ( -1.302 0.000 0.000) 1.302 5.483 ( 1.079 0.000 0.000) 1.079 5.496 ( -0.007 0.000 0.000) 0.007 5.594 ( 1.176 0.000 0.000) 1.176 5.698 ( -0.964 0.000 0.000) 0.964 5.731 ( -9.374 0.000 0.000) 9.374 5.740 ( -5.808 0.000 0.000) 5.808 5.855 ( 0.214 0.000 0.000) 0.214 5.870 ( -1.014 0.000 0.000) 1.014 5.915 ( -0.974 0.000 0.000) 0.974 5.919 ( -1.278 0.000 0.000) 1.278 5.974 ( 2.414 0.000 0.000) 2.414 5.986 ( 1.260 0.000 0.000) 1.260 6.078 ( 2.298 0.000 0.000) 2.298 6.144 ( -3.287 0.000 0.000) 3.287 6.371 ( 1.215 0.000 0.000) 1.215 6.378 ( -0.178 0.000 0.000) 0.178 6.455 ( 0.665 0.000 0.000) 0.665 6.482 ( -1.155 0.000 0.000) 1.155 7.080 ( 5.778 0.000 0.000) 5.778 7.149 ( 0.921 0.000 0.000) 0.921 7.172 ( -2.555 0.000 0.000) 2.555 7.196 ( -2.905 0.000 0.000) 2.905 7.259 ( 1.066 0.000 0.000) 1.066 7.308 ( -3.330 0.000 0.000) 3.330 7.704 ( 3.763 0.000 0.000) 3.763 7.738 ( 1.079 0.000 0.000) 1.079 7.971 ( 1.067 0.000 0.000) 1.067 7.985 ( 0.477 0.000 0.000) 0.477 8.163 ( 1.271 0.000 0.000) 1.271 8.191 ( -1.701 0.000 0.000) 1.701 8.366 ( 3.186 0.000 0.000) 3.186 8.417 ( -1.389 0.000 0.000) 1.389 8.431 ( 2.157 0.000 0.000) 2.157 8.475 ( -0.936 0.000 0.000) 0.936 8.644 ( -2.995 0.000 0.000) 2.995 8.650 ( -2.654 0.000 0.000) 2.654 8.656 ( 3.230 0.000 0.000) 3.230 8.705 ( -0.534 0.000 0.000) 0.534 8.930 ( -5.325 0.000 0.000) 5.325 8.937 ( -4.373 0.000 0.000) 4.373 9.397 ( 4.420 0.000 0.000) 4.420 9.514 ( -6.176 0.000 0.000) 6.176 9.782 ( 6.198 0.000 0.000) 6.198 9.941 ( -8.653 0.000 0.000) 8.653 10.018 ( 8.911 0.000 0.000) 8.911 10.078 ( 5.307 0.000 0.000) 5.307 10.201 ( -8.292 0.000 0.000) 8.292 10.210 ( -5.361 0.000 0.000) 5.361 10.292 ( 7.187 0.000 0.000) 7.187 10.351 ( 4.547 0.000 0.000) 4.547 10.411 ( -4.319 0.000 0.000) 4.319 10.450 ( -5.123 0.000 0.000) 5.123 10.620 ( 7.817 0.000 0.000) 7.817 10.705 ( -1.229 0.000 0.000) 1.229 10.984 ( 7.424 0.000 0.000) 7.424 11.099 ( 2.920 0.000 0.000) 2.920 11.171 ( -11.257 0.000 0.000) 11.257 11.218 ( -7.923 0.000 0.000) 7.923 11.395 ( 13.590 0.000 0.000) 13.590 11.621 ( -7.307 0.000 0.000) 7.307 11.778 ( 3.540 0.000 0.000) 3.540 11.821 ( 1.085 0.000 0.000) 1.085 11.858 ( 1.233 0.000 0.000) 1.233 11.869 ( 1.347 0.000 0.000) 1.347 12.176 ( 6.470 0.000 0.000) 6.470 12.238 ( 1.560 0.000 0.000) 1.560 12.300 ( -2.687 0.000 0.000) 2.687 12.321 ( -3.317 0.000 0.000) 3.317 12.418 ( 2.710 0.000 0.000) 2.710 12.514 ( -5.753 0.000 0.000) 5.753 12.735 ( 4.567 0.000 0.000) 4.567 12.860 ( -6.499 0.000 0.000) 6.499 12.912 ( 2.212 0.000 0.000) 2.212 12.953 ( -2.033 0.000 0.000) 2.033 13.458 ( 9.563 0.000 0.000) 9.563 13.549 ( 3.789 0.000 0.000) 3.789 13.593 ( -0.352 0.000 0.000) 0.352 13.626 ( 5.874 0.000 0.000) 5.874 13.651 ( -7.432 0.000 0.000) 7.432 13.741 ( -5.565 0.000 0.000) 5.565 13.742 ( 7.706 0.000 0.000) 7.706 13.873 ( -4.603 0.000 0.000) 4.603 14.634 ( 4.985 0.000 0.000) 4.985 14.754 ( -5.742 0.000 0.000) 5.742 14.796 ( 31.356 0.000 0.000) 31.356 14.950 ( 4.402 0.000 0.000) 4.402 14.971 ( 7.350 0.000 0.000) 7.350 14.973 ( 3.744 0.000 0.000) 3.744 15.025 ( 29.855 0.000 0.000) 29.855 15.072 ( 3.994 0.000 0.000) 3.994 15.128 ( 13.532 0.000 0.000) 13.532 15.221 ( -14.937 0.000 0.000) 14.937 15.518 ( 18.635 0.000 0.000) 18.635 15.676 ( -32.994 0.000 0.000) 32.994 15.810 ( -32.654 0.000 0.000) 32.654 15.835 ( 15.742 0.000 0.000) 15.742 16.036 ( -25.215 0.000 0.000) 25.215 16.210 ( -18.506 0.000 0.000) 18.506 19.696 ( 1.830 0.000 0.000) 1.830 19.736 ( 3.801 0.000 0.000) 3.801 19.767 ( -4.817 0.000 0.000) 4.817 19.837 ( -5.355 0.000 0.000) 5.355 20.086 ( 2.793 0.000 0.000) 2.793 20.130 ( -1.182 0.000 0.000) 1.182 20.434 ( 4.712 0.000 0.000) 4.712 20.544 ( -5.679 0.000 0.000) 5.679 20.561 ( 0.026 0.000 0.000) 0.026 20.582 ( -0.832 0.000 0.000) 0.832 20.846 ( 4.739 0.000 0.000) 4.739 20.896 ( -0.670 0.000 0.000) 0.670 21.063 ( -3.097 0.000 0.000) 3.097 21.081 ( -4.569 0.000 0.000) 4.569 21.351 ( 3.802 0.000 0.000) 3.802 21.461 ( -6.161 0.000 0.000) 6.161 21.756 ( 11.987 0.000 0.000) 11.987 21.938 ( 12.211 0.000 0.000) 12.211 21.999 ( -11.082 0.000 0.000) 11.082 22.162 ( -8.709 0.000 0.000) 8.709 22.483 ( 2.260 0.000 0.000) 2.260 22.519 ( -1.358 0.000 0.000) 1.358 22.568 ( 1.802 0.000 0.000) 1.802 22.579 ( 0.667 0.000 0.000) 0.667 22.904 ( 1.305 0.000 0.000) 1.305 22.939 ( -2.965 0.000 0.000) 2.965 22.957 ( 0.716 0.000 0.000) 0.716 22.967 ( 3.162 0.000 0.000) 3.162 22.984 ( -0.656 0.000 0.000) 0.656 23.005 ( 2.722 0.000 0.000) 2.722 23.041 ( -2.716 0.000 0.000) 2.716 23.073 ( -3.438 0.000 0.000) 3.438 ======================= Grid point 9 (6/30) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 26.267 0.000) 26.267 0.646 ( 0.000 28.710 0.000) 28.710 0.947 ( 0.000 34.261 0.000) 34.261 1.174 ( 0.000 -15.856 0.000) 15.856 1.240 ( 0.000 -24.990 0.000) 24.990 1.728 ( 0.000 -22.302 0.000) 22.302 1.760 ( 0.000 4.568 0.000) 4.568 1.821 ( 0.000 6.530 0.000) 6.530 1.850 ( 0.000 -3.003 0.000) 3.003 1.863 ( 0.000 0.803 0.000) 0.803 1.983 ( 0.000 7.925 0.000) 7.925 2.135 ( 0.000 11.031 0.000) 11.031 2.272 ( 0.000 -18.651 0.000) 18.651 2.297 ( 0.000 5.165 0.000) 5.165 2.306 ( 0.000 -5.569 0.000) 5.569 2.306 ( 0.000 5.445 0.000) 5.445 2.434 ( 0.000 -6.229 0.000) 6.229 2.449 ( 0.000 -5.344 0.000) 5.344 2.715 ( 0.000 3.028 0.000) 3.028 2.771 ( 0.000 1.741 0.000) 1.741 2.776 ( 0.000 -2.108 0.000) 2.108 2.795 ( 0.000 -1.061 0.000) 1.061 2.860 ( 0.000 2.271 0.000) 2.271 2.887 ( 0.000 0.985 0.000) 0.985 2.926 ( 0.000 -3.323 0.000) 3.323 2.969 ( 0.000 -6.056 0.000) 6.056 3.167 ( 0.000 2.227 0.000) 2.227 3.173 ( 0.000 0.323 0.000) 0.323 3.181 ( 0.000 -0.435 0.000) 0.435 3.185 ( 0.000 1.136 0.000) 1.136 3.207 ( 0.000 -0.895 0.000) 0.895 3.230 ( 0.000 -2.896 0.000) 2.896 3.351 ( 0.000 1.342 0.000) 1.342 3.395 ( 0.000 -2.122 0.000) 2.122 3.598 ( 0.000 1.637 0.000) 1.637 3.616 ( 0.000 0.629 0.000) 0.629 3.629 ( 0.000 11.718 0.000) 11.718 3.656 ( 0.000 1.066 0.000) 1.066 3.696 ( 0.000 -2.255 0.000) 2.255 3.878 ( 0.000 -9.292 0.000) 9.292 3.978 ( 0.000 17.232 0.000) 17.232 4.202 ( 0.000 3.796 0.000) 3.796 4.243 ( 0.000 -6.448 0.000) 6.448 4.282 ( 0.000 -2.657 0.000) 2.657 4.328 ( 0.000 1.592 0.000) 1.592 4.348 ( 0.000 7.569 0.000) 7.569 4.358 ( 0.000 -1.225 0.000) 1.225 4.512 ( 0.000 4.302 0.000) 4.302 4.575 ( 0.000 -12.865 0.000) 12.865 4.671 ( 0.000 -8.665 0.000) 8.665 4.695 ( 0.000 8.332 0.000) 8.332 4.819 ( 0.000 3.419 0.000) 3.419 4.866 ( 0.000 -5.075 0.000) 5.075 4.879 ( 0.000 5.545 0.000) 5.545 4.892 ( 0.000 -2.782 0.000) 2.782 5.048 ( 0.000 0.833 0.000) 0.833 5.050 ( 0.000 -6.330 0.000) 6.330 5.080 ( 0.000 -3.449 0.000) 3.449 5.315 ( 0.000 4.801 0.000) 4.801 5.416 ( 0.000 5.429 0.000) 5.429 5.427 ( 0.000 -3.914 0.000) 3.914 5.480 ( 0.000 -1.247 0.000) 1.247 5.488 ( 0.000 4.117 0.000) 4.117 5.579 ( 0.000 -2.774 0.000) 2.774 5.689 ( 0.000 2.424 0.000) 2.424 5.733 ( 0.000 4.378 0.000) 4.378 5.750 ( 0.000 -2.079 0.000) 2.079 5.760 ( 0.000 0.007 0.000) 0.007 5.960 ( 0.000 0.397 0.000) 0.397 6.013 ( 0.000 -0.204 0.000) 0.204 6.014 ( 0.000 -0.345 0.000) 0.345 6.058 ( 0.000 -6.540 0.000) 6.540 6.251 ( 0.000 2.038 0.000) 2.038 6.318 ( 0.000 -3.064 0.000) 3.064 6.328 ( 0.000 0.479 0.000) 0.479 6.348 ( 0.000 -1.026 0.000) 1.026 6.378 ( 0.000 4.313 0.000) 4.313 6.411 ( 0.000 1.418 0.000) 1.418 6.551 ( 0.000 -0.249 0.000) 0.249 6.554 ( 0.000 -0.544 0.000) 0.544 6.685 ( 0.000 4.590 0.000) 4.590 6.856 ( 0.000 -10.338 0.000) 10.338 7.064 ( 0.000 2.168 0.000) 2.168 7.121 ( 0.000 -2.521 0.000) 2.521 7.177 ( 0.000 8.177 0.000) 8.177 7.276 ( 0.000 5.561 0.000) 5.561 7.347 ( 0.000 -5.885 0.000) 5.885 7.362 ( 0.000 -2.280 0.000) 2.280 7.904 ( 0.000 3.357 0.000) 3.357 8.020 ( 0.000 7.775 0.000) 7.775 8.026 ( 0.000 -6.706 0.000) 6.706 8.231 ( 0.000 -10.970 0.000) 10.970 8.270 ( 0.000 2.577 0.000) 2.577 8.309 ( 0.000 -0.520 0.000) 0.520 8.362 ( 0.000 3.553 0.000) 3.553 8.466 ( 0.000 -5.546 0.000) 5.546 8.721 ( 0.000 10.219 0.000) 10.219 8.921 ( 0.000 -7.602 0.000) 7.602 9.159 ( 0.000 1.588 0.000) 1.588 9.160 ( 0.000 0.330 0.000) 0.330 9.202 ( 0.000 0.074 0.000) 0.074 9.242 ( 0.000 -2.070 0.000) 2.070 9.512 ( 0.000 4.583 0.000) 4.583 9.572 ( 0.000 4.525 0.000) 4.525 9.608 ( 0.000 3.291 0.000) 3.291 9.647 ( 0.000 -1.711 0.000) 1.711 9.706 ( 0.000 -1.075 0.000) 1.075 9.842 ( 0.000 -5.572 0.000) 5.572 10.064 ( 0.000 7.078 0.000) 7.078 10.259 ( 0.000 -10.091 0.000) 10.091 10.498 ( 0.000 2.362 0.000) 2.362 10.553 ( 0.000 -2.230 0.000) 2.230 10.605 ( 0.000 0.881 0.000) 0.881 10.626 ( 0.000 -0.987 0.000) 0.987 10.702 ( 0.000 2.143 0.000) 2.143 10.755 ( 0.000 -2.121 0.000) 2.121 10.860 ( 0.000 9.126 0.000) 9.126 10.888 ( 0.000 0.800 0.000) 0.800 10.908 ( 0.000 0.951 0.000) 0.951 10.959 ( 0.000 2.976 0.000) 2.976 11.030 ( 0.000 -2.944 0.000) 2.944 11.096 ( 0.000 -9.332 0.000) 9.332 11.102 ( 0.000 1.187 0.000) 1.187 11.154 ( 0.000 -3.859 0.000) 3.859 11.528 ( 0.000 10.419 0.000) 10.419 11.736 ( 0.000 -7.285 0.000) 7.285 12.206 ( 0.000 2.945 0.000) 2.945 12.248 ( 0.000 5.798 0.000) 5.798 12.317 ( 0.000 -7.257 0.000) 7.257 12.388 ( 0.000 -6.419 0.000) 6.419 12.626 ( 0.000 4.004 0.000) 4.004 12.651 ( 0.000 1.169 0.000) 1.169 12.663 ( 0.000 0.831 0.000) 0.831 12.666 ( 0.000 0.702 0.000) 0.702 12.701 ( 0.000 -0.853 0.000) 0.853 12.725 ( 0.000 -3.379 0.000) 3.379 12.962 ( 0.000 6.320 0.000) 6.320 12.989 ( 0.000 3.031 0.000) 3.031 13.048 ( 0.000 -2.028 0.000) 2.028 13.092 ( 0.000 -4.571 0.000) 4.571 13.320 ( 0.000 1.948 0.000) 1.948 13.372 ( 0.000 -2.550 0.000) 2.550 13.491 ( 0.000 1.135 0.000) 1.135 13.509 ( 0.000 -0.252 0.000) 0.252 13.687 ( 0.000 8.367 0.000) 8.367 13.889 ( 0.000 0.587 0.000) 0.587 13.891 ( 0.000 -8.923 0.000) 8.923 13.912 ( 0.000 -1.328 0.000) 1.328 14.725 ( 0.000 -0.251 0.000) 0.251 14.745 ( 0.000 -1.615 0.000) 1.615 15.226 ( 0.000 7.852 0.000) 7.852 15.340 ( 0.000 13.555 0.000) 13.555 15.394 ( 0.000 -6.356 0.000) 6.356 15.676 ( 0.000 -15.047 0.000) 15.047 16.732 ( 0.000 8.807 0.000) 8.807 16.901 ( 0.000 -5.694 0.000) 5.694 17.046 ( 0.000 0.269 0.000) 0.269 17.052 ( 0.000 -0.275 0.000) 0.275 17.088 ( 0.000 0.694 0.000) 0.694 17.105 ( 0.000 -0.698 0.000) 0.698 19.818 ( 0.000 1.541 0.000) 1.541 19.869 ( 0.000 2.284 0.000) 2.284 19.873 ( 0.000 -3.425 0.000) 3.425 19.926 ( 0.000 -2.454 0.000) 2.454 20.081 ( 0.000 4.992 0.000) 4.992 20.184 ( 0.000 -4.167 0.000) 4.167 20.460 ( 0.000 1.187 0.000) 1.187 20.470 ( 0.000 0.038 0.000) 0.038 20.624 ( 0.000 2.051 0.000) 2.051 20.639 ( 0.000 3.680 0.000) 3.680 20.701 ( 0.000 -5.228 0.000) 5.228 20.732 ( 0.000 -3.883 0.000) 3.883 21.076 ( 0.000 8.070 0.000) 8.070 21.169 ( 0.000 -1.421 0.000) 1.421 21.360 ( 0.000 5.629 0.000) 5.629 21.581 ( 0.000 -12.775 0.000) 12.775 21.590 ( 0.000 1.344 0.000) 1.344 21.620 ( 0.000 -1.146 0.000) 1.146 22.057 ( 0.000 0.021 0.000) 0.021 22.057 ( 0.000 -0.033 0.000) 0.033 22.142 ( 0.000 6.816 0.000) 6.816 22.253 ( 0.000 -3.270 0.000) 3.270 22.527 ( 0.000 0.775 0.000) 0.775 22.549 ( 0.000 -1.083 0.000) 1.083 22.796 ( 0.000 0.831 0.000) 0.831 22.820 ( 0.000 -1.149 0.000) 1.149 23.020 ( 0.000 1.996 0.000) 1.996 23.028 ( 0.000 3.041 0.000) 3.041 23.063 ( 0.000 -1.614 0.000) 1.614 23.095 ( 0.000 -2.496 0.000) 2.496 23.807 ( 0.000 0.230 0.000) 0.230 23.813 ( 0.000 -0.231 0.000) 0.231 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 14.835 21.137 0.000) 25.823 0.831 ( 17.888 17.584 0.000) 25.083 1.216 ( 14.722 -4.400 0.000) 15.365 1.312 ( 6.419 -21.618 0.000) 22.551 1.396 ( 23.273 9.644 0.000) 25.192 1.768 ( 0.280 3.389 0.000) 3.400 1.836 ( 9.637 -13.341 0.000) 16.458 1.838 ( -0.912 -2.569 0.000) 2.726 1.875 ( 4.230 4.412 0.000) 6.112 1.894 ( 2.777 2.498 0.000) 3.735 2.006 ( 3.139 3.344 0.000) 4.587 2.135 ( -0.113 9.792 0.000) 9.792 2.181 ( -4.134 -5.344 0.000) 6.756 2.243 ( -1.570 0.756 0.000) 1.743 2.417 ( 4.919 -2.715 0.000) 5.619 2.429 ( 0.233 -2.094 0.000) 2.107 2.439 ( 9.119 -4.174 0.000) 10.029 2.518 ( 7.215 -6.870 0.000) 9.962 2.712 ( -0.125 2.740 0.000) 2.743 2.766 ( -0.982 -1.499 0.000) 1.792 2.809 ( -2.678 0.463 0.000) 2.717 2.848 ( -2.601 -3.325 0.000) 4.222 2.857 ( -1.724 0.495 0.000) 1.793 2.871 ( 3.633 -1.730 0.000) 4.024 2.897 ( 10.060 1.313 0.000) 10.145 2.985 ( 2.676 -5.558 0.000) 6.169 3.105 ( -2.488 3.371 0.000) 4.190 3.110 ( -3.106 2.365 0.000) 3.904 3.167 ( -2.513 -2.449 0.000) 3.509 3.185 ( -3.120 -3.395 0.000) 4.611 3.344 ( -0.228 2.590 0.000) 2.600 3.387 ( 12.758 0.528 0.000) 12.769 3.393 ( 12.362 0.224 0.000) 12.364 3.397 ( -0.350 -1.778 0.000) 1.812 3.574 ( -1.466 1.269 0.000) 1.938 3.585 ( -2.444 0.235 0.000) 2.456 3.594 ( -2.579 11.880 0.000) 12.157 3.636 ( -2.177 1.160 0.000) 2.467 3.703 ( 0.149 -4.554 0.000) 4.557 3.853 ( -2.155 -10.006 0.000) 10.236 3.976 ( -0.408 13.417 0.000) 13.423 4.097 ( -6.405 3.265 0.000) 7.189 4.141 ( -7.109 -1.098 0.000) 7.193 4.174 ( -1.714 -3.865 0.000) 4.228 4.378 ( 2.514 7.316 0.000) 7.736 4.403 ( 2.281 3.432 0.000) 4.120 4.436 ( -4.857 5.839 0.000) 7.595 4.502 ( 6.130 -4.301 0.000) 7.489 4.563 ( -0.988 -7.642 0.000) 7.706 4.610 ( -4.761 -8.015 0.000) 9.322 4.711 ( 2.354 7.505 0.000) 7.865 4.711 ( -6.992 2.630 0.000) 7.471 4.829 ( -5.132 -5.915 0.000) 7.830 4.850 ( -0.850 -2.865 0.000) 2.989 5.012 ( -3.041 0.435 0.000) 3.072 5.021 ( 4.062 0.072 0.000) 4.063 5.052 ( 0.676 -0.714 0.000) 0.983 5.054 ( -1.574 -5.433 0.000) 5.657 5.355 ( 1.282 4.564 0.000) 4.741 5.435 ( 2.100 5.930 0.000) 6.291 5.448 ( -2.696 4.500 0.000) 5.246 5.467 ( 0.642 -2.819 0.000) 2.891 5.514 ( 2.304 -1.969 0.000) 3.031 5.626 ( 1.196 -7.736 0.000) 7.827 5.705 ( 1.447 3.408 0.000) 3.702 5.745 ( -0.358 5.374 0.000) 5.386 5.775 ( 2.032 -2.123 0.000) 2.939 5.795 ( 2.364 2.143 0.000) 3.190 5.934 ( 0.921 0.237 0.000) 0.951 6.010 ( -0.115 -0.018 0.000) 0.117 6.016 ( -0.325 -0.560 0.000) 0.648 6.034 ( -0.994 -7.751 0.000) 7.815 6.147 ( -4.934 5.393 0.000) 7.309 6.285 ( -3.074 -5.065 0.000) 5.925 6.323 ( -1.553 0.938 0.000) 1.814 6.344 ( -0.223 -0.827 0.000) 0.857 6.356 ( -1.744 3.002 0.000) 3.472 6.381 ( -4.738 0.921 0.000) 4.827 6.485 ( -5.607 0.482 0.000) 5.627 6.511 ( -3.206 -1.788 0.000) 3.671 6.754 ( 5.770 9.126 0.000) 10.797 6.991 ( 7.777 -10.600 0.000) 13.147 7.079 ( -0.180 3.466 0.000) 3.471 7.107 ( 3.205 0.601 0.000) 3.261 7.284 ( 5.289 1.817 0.000) 5.593 7.307 ( 4.697 2.484 0.000) 5.313 7.370 ( 2.355 -4.659 0.000) 5.221 7.388 ( 2.601 -3.370 0.000) 4.256 7.917 ( 1.121 3.682 0.000) 3.849 8.017 ( 1.319 1.830 0.000) 2.256 8.077 ( 3.209 -1.673 0.000) 3.619 8.207 ( -6.086 5.009 0.000) 7.882 8.245 ( 1.699 -10.317 0.000) 10.456 8.258 ( -1.936 -0.783 0.000) 2.088 8.404 ( 1.257 6.394 0.000) 6.516 8.456 ( 0.018 3.334 0.000) 3.334 8.711 ( -0.969 10.059 0.000) 10.106 8.854 ( -11.356 -0.141 0.000) 11.357 8.904 ( -1.759 -7.008 0.000) 7.226 8.992 ( -19.002 -7.715 0.000) 20.508 9.326 ( 10.435 2.888 0.000) 10.827 9.375 ( 12.749 -2.139 0.000) 12.927 9.492 ( 4.390 8.710 0.000) 9.753 9.559 ( -1.193 2.038 0.000) 2.362 9.572 ( -6.431 0.984 0.000) 6.506 9.579 ( 1.267 3.192 0.000) 3.435 9.795 ( 5.006 -0.867 0.000) 5.081 9.883 ( 5.367 -5.400 0.000) 7.614 9.937 ( -0.253 2.919 0.000) 2.930 9.998 ( -13.337 -2.542 0.000) 13.577 10.476 ( -8.838 0.042 0.000) 8.838 10.483 ( -8.599 -0.526 0.000) 8.615 10.511 ( 8.190 5.382 0.000) 9.800 10.674 ( 12.324 -6.437 0.000) 13.904 10.755 ( -3.015 3.002 0.000) 4.255 10.781 ( 2.767 8.211 0.000) 8.665 10.802 ( 1.560 -0.486 0.000) 1.634 10.845 ( -7.675 -0.273 0.000) 7.680 10.886 ( -10.316 -2.743 0.000) 10.674 11.018 ( 2.423 -11.110 0.000) 11.371 11.145 ( 4.838 3.319 0.000) 5.867 11.244 ( 6.641 -5.577 0.000) 8.673 11.505 ( 30.934 14.539 0.000) 34.181 11.585 ( 4.362 9.295 0.000) 10.267 11.763 ( 1.257 -5.988 0.000) 6.119 11.960 ( 33.127 -27.628 0.000) 43.136 12.203 ( -3.705 6.343 0.000) 7.346 12.216 ( 0.112 1.198 0.000) 1.204 12.274 ( -4.378 -4.142 0.000) 6.027 12.378 ( -0.015 -9.140 0.000) 9.140 12.516 ( -7.768 5.758 0.000) 9.669 12.648 ( 3.000 5.958 0.000) 6.670 12.653 ( -3.121 -6.946 0.000) 7.615 12.730 ( 1.811 -1.591 0.000) 2.410 12.765 ( 5.863 -1.266 0.000) 5.998 12.798 ( 10.855 -5.439 0.000) 12.142 13.003 ( 3.214 6.747 0.000) 7.473 13.040 ( 5.585 2.326 0.000) 6.050 13.101 ( 0.192 -2.219 0.000) 2.228 13.105 ( 5.856 -3.665 0.000) 6.908 13.412 ( 6.276 2.432 0.000) 6.731 13.489 ( 8.287 -4.639 0.000) 9.497 13.503 ( 1.334 1.353 0.000) 1.900 13.544 ( 2.860 -1.840 0.000) 3.401 13.755 ( 9.296 12.688 0.000) 15.729 13.897 ( 0.770 0.715 0.000) 1.051 13.920 ( 0.624 -1.192 0.000) 1.345 14.096 ( 17.366 -20.143 0.000) 26.595 14.698 ( -2.307 0.889 0.000) 2.473 14.740 ( -0.524 -2.495 0.000) 2.549 15.166 ( -5.213 6.594 0.000) 8.406 15.306 ( -7.751 -5.132 0.000) 9.296 15.310 ( -2.916 13.587 0.000) 13.896 15.635 ( -3.990 -13.288 0.000) 13.874 16.354 ( -31.506 20.953 0.000) 37.837 16.502 ( -19.474 2.493 0.000) 19.633 16.974 ( -7.568 0.566 0.000) 7.589 16.987 ( -5.799 -0.478 0.000) 5.818 17.024 ( -6.058 0.451 0.000) 6.075 17.037 ( -6.434 -0.594 0.000) 6.462 19.775 ( -3.426 2.244 0.000) 4.095 19.843 ( -3.359 -3.742 0.000) 5.028 19.880 ( 1.146 2.509 0.000) 2.758 19.969 ( 1.784 -5.740 0.000) 6.011 20.040 ( -2.019 4.873 0.000) 5.274 20.158 ( -0.945 -5.987 0.000) 6.061 20.439 ( 2.319 5.262 0.000) 5.750 20.484 ( -7.805 9.516 0.000) 12.308 20.522 ( 3.061 -2.259 0.000) 3.805 20.703 ( -3.775 -10.778 0.000) 11.421 20.827 ( 13.862 3.111 0.000) 14.207 20.911 ( 13.898 -3.762 0.000) 14.398 21.036 ( -4.102 5.724 0.000) 7.042 21.164 ( -3.678 -3.629 0.000) 5.167 21.391 ( 1.276 6.971 0.000) 7.087 21.529 ( -4.778 1.199 0.000) 4.926 21.553 ( -5.173 -0.809 0.000) 5.236 21.627 ( 1.381 -14.425 0.000) 14.491 22.143 ( 7.011 0.188 0.000) 7.014 22.148 ( 7.522 -0.222 0.000) 7.525 22.205 ( 4.805 3.061 0.000) 5.698 22.275 ( 2.069 -2.477 0.000) 3.228 22.534 ( 0.544 0.886 0.000) 1.039 22.558 ( 0.573 -1.058 0.000) 1.203 22.797 ( 0.209 0.806 0.000) 0.833 22.819 ( 0.086 -1.061 0.000) 1.064 23.017 ( -0.334 1.788 0.000) 1.819 23.038 ( 0.775 2.496 0.000) 2.613 23.056 ( -0.692 -1.473 0.000) 1.627 23.094 ( -0.155 -2.130 0.000) 2.136 23.453 ( -18.359 16.982 0.000) 25.009 23.701 ( -13.526 -7.376 0.000) 15.407 ======================= Grid point 11 (8/30) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 17.680 11.659 0.000) 21.178 1.234 ( 19.436 5.816 0.000) 20.288 1.430 ( 7.952 -10.302 0.000) 13.013 1.477 ( 8.253 -13.718 0.000) 16.009 1.752 ( -1.812 2.493 0.000) 3.082 1.815 ( -1.785 -2.663 0.000) 3.206 1.911 ( 2.131 2.631 0.000) 3.385 1.935 ( 14.250 6.865 0.000) 15.817 1.958 ( 6.731 1.962 0.000) 7.011 2.036 ( 2.520 -1.342 0.000) 2.855 2.099 ( 5.987 2.340 0.000) 6.428 2.135 ( 0.931 5.984 0.000) 6.056 2.193 ( 8.898 -4.311 0.000) 9.887 2.231 ( 0.789 -2.409 0.000) 2.535 2.462 ( 4.493 3.389 0.000) 5.628 2.540 ( 3.890 -3.135 0.000) 4.996 2.678 ( 11.709 -1.248 0.000) 11.776 2.708 ( 6.633 -2.294 0.000) 7.019 2.712 ( 0.018 2.285 0.000) 2.285 2.752 ( -6.539 1.168 0.000) 6.642 2.759 ( 1.515 -1.692 0.000) 2.271 2.783 ( 1.171 2.205 0.000) 2.497 2.816 ( -1.368 -4.383 0.000) 4.591 2.861 ( 2.046 -3.687 0.000) 4.217 3.027 ( -0.345 2.307 0.000) 2.332 3.063 ( -1.692 1.727 0.000) 2.418 3.085 ( 5.513 -3.510 0.000) 6.536 3.092 ( -5.139 -0.745 0.000) 5.193 3.193 ( 6.794 1.600 0.000) 6.980 3.275 ( 9.768 -4.771 0.000) 10.871 3.369 ( 4.986 2.392 0.000) 5.530 3.406 ( 5.599 -0.941 0.000) 5.678 3.498 ( -1.756 0.701 0.000) 1.891 3.510 ( -3.957 0.158 0.000) 3.960 3.555 ( -4.274 1.560 0.000) 4.550 3.563 ( 0.833 8.968 0.000) 9.007 3.603 ( 1.809 -0.166 0.000) 1.817 3.666 ( 8.190 -1.141 0.000) 8.269 3.709 ( 3.154 -5.073 0.000) 5.974 3.791 ( -3.686 -10.268 0.000) 10.910 3.990 ( 2.106 9.694 0.000) 9.920 4.012 ( -0.513 3.797 0.000) 3.832 4.037 ( -1.859 0.119 0.000) 1.862 4.166 ( 0.177 -5.324 0.000) 5.327 4.295 ( -5.974 4.360 0.000) 7.396 4.387 ( -3.251 -0.170 0.000) 3.256 4.421 ( 0.493 6.786 0.000) 6.804 4.507 ( -2.977 -1.738 0.000) 3.447 4.518 ( -5.209 6.041 0.000) 7.977 4.568 ( -4.401 -5.048 0.000) 6.698 4.593 ( -0.085 -6.916 0.000) 6.916 4.661 ( -9.367 -5.660 0.000) 10.945 4.829 ( 8.062 6.428 0.000) 10.311 4.862 ( 1.762 3.332 0.000) 3.769 4.944 ( -2.844 0.427 0.000) 2.876 5.020 ( -2.173 2.307 0.000) 3.169 5.061 ( 3.495 -9.616 0.000) 10.232 5.093 ( 1.035 -3.401 0.000) 3.555 5.353 ( -0.191 1.438 0.000) 1.450 5.385 ( -2.898 9.286 0.000) 9.728 5.433 ( -3.156 -5.304 0.000) 6.172 5.496 ( 3.193 4.936 0.000) 5.878 5.553 ( 1.081 -1.242 0.000) 1.646 5.605 ( -4.317 -3.363 0.000) 5.473 5.624 ( -6.676 1.023 0.000) 6.754 5.747 ( 2.561 3.502 0.000) 4.339 5.815 ( -4.178 -8.452 0.000) 9.428 5.818 ( 1.784 -2.158 0.000) 2.800 5.964 ( -0.254 4.085 0.000) 4.093 5.993 ( -1.716 1.023 0.000) 1.998 5.999 ( -2.561 2.325 0.000) 3.459 6.007 ( -0.243 -0.047 0.000) 0.247 6.163 ( 2.579 2.077 0.000) 3.311 6.217 ( -3.520 0.598 0.000) 3.570 6.234 ( -6.853 1.254 0.000) 6.967 6.271 ( -8.226 -1.981 0.000) 8.461 6.272 ( -1.040 1.706 0.000) 1.998 6.349 ( 2.658 -3.187 0.000) 4.151 6.398 ( -1.044 2.003 0.000) 2.258 6.458 ( -1.730 -3.007 0.000) 3.469 6.885 ( 6.415 9.578 0.000) 11.528 7.113 ( 2.794 2.632 0.000) 3.838 7.114 ( 4.073 -8.538 0.000) 9.460 7.161 ( 1.629 -1.027 0.000) 1.926 7.348 ( 1.000 3.024 0.000) 3.185 7.422 ( 4.010 0.416 0.000) 4.032 7.437 ( 3.474 -4.180 0.000) 5.435 7.481 ( 6.022 -2.603 0.000) 6.560 7.947 ( 1.795 4.092 0.000) 4.468 8.071 ( 3.133 -2.938 0.000) 4.295 8.081 ( -5.173 7.304 0.000) 8.950 8.151 ( 3.813 1.229 0.000) 4.006 8.214 ( -2.324 -4.333 0.000) 4.917 8.311 ( 4.206 -9.012 0.000) 9.945 8.415 ( 1.397 5.556 0.000) 5.729 8.494 ( 1.784 1.999 0.000) 2.680 8.651 ( -10.747 -3.106 0.000) 11.187 8.677 ( -2.356 8.318 0.000) 8.645 8.740 ( -3.408 -8.514 0.000) 9.170 8.838 ( -4.675 -5.518 0.000) 7.232 9.368 ( -4.843 4.195 0.000) 6.408 9.415 ( -7.269 7.169 0.000) 10.210 9.451 ( -8.151 -3.326 0.000) 8.804 9.538 ( -0.551 -3.475 0.000) 3.518 9.636 ( 5.704 2.535 0.000) 6.242 9.651 ( 6.433 1.683 0.000) 6.649 9.944 ( 9.396 0.203 0.000) 9.399 9.976 ( 10.974 -1.804 0.000) 11.121 10.084 ( 12.376 -0.176 0.000) 12.377 10.111 ( 12.800 -1.728 0.000) 12.916 10.263 ( -10.745 1.710 0.000) 10.880 10.302 ( -8.994 -1.534 0.000) 9.124 10.607 ( -9.318 3.427 0.000) 9.928 10.662 ( -9.565 -1.641 0.000) 9.705 10.696 ( -6.240 -0.026 0.000) 6.240 10.735 ( 8.794 7.225 0.000) 11.381 10.751 ( -5.333 -3.790 0.000) 6.542 10.794 ( 8.719 7.161 0.000) 11.283 10.976 ( 7.194 -2.628 0.000) 7.659 11.168 ( 13.521 -15.162 0.000) 20.315 11.315 ( 9.439 3.017 0.000) 9.909 11.395 ( 6.404 -4.031 0.000) 7.567 11.663 ( 2.278 4.174 0.000) 4.755 11.721 ( -5.941 -1.044 0.000) 6.032 11.976 ( 11.337 12.587 0.000) 16.939 12.113 ( -1.739 11.790 0.000) 11.917 12.131 ( -8.237 1.156 0.000) 8.318 12.185 ( -2.306 -2.853 0.000) 3.668 12.212 ( -0.234 -10.356 0.000) 10.358 12.408 ( -2.071 6.575 0.000) 6.894 12.418 ( 0.793 -10.463 0.000) 10.493 12.588 ( -2.727 -9.139 0.000) 9.537 12.743 ( 0.891 0.871 0.000) 1.246 12.760 ( 4.821 -0.314 0.000) 4.831 12.999 ( 16.681 3.503 0.000) 17.045 13.049 ( 0.130 4.101 0.000) 4.103 13.084 ( -1.699 0.507 0.000) 1.773 13.129 ( 17.252 -7.737 0.000) 18.908 13.243 ( 13.424 0.902 0.000) 13.454 13.287 ( 11.041 -3.239 0.000) 11.506 13.545 ( 2.570 2.126 0.000) 3.335 13.553 ( 10.115 5.579 0.000) 11.551 13.615 ( 3.615 -3.503 0.000) 5.033 13.686 ( 13.527 -6.541 0.000) 15.025 13.916 ( 0.808 0.386 0.000) 0.896 13.927 ( -0.409 -0.521 0.000) 0.662 14.128 ( 24.370 12.529 0.000) 27.402 14.499 ( 19.469 -21.158 0.000) 28.753 14.643 ( -2.431 2.855 0.000) 3.750 14.728 ( -0.378 -4.322 0.000) 4.339 15.039 ( -6.049 4.276 0.000) 7.407 15.119 ( -8.542 -2.569 0.000) 8.920 15.217 ( -5.817 12.906 0.000) 14.157 15.510 ( -7.695 -9.332 0.000) 12.096 15.863 ( -16.210 14.578 0.000) 21.801 16.062 ( -20.371 -1.914 0.000) 20.461 16.731 ( -15.696 1.660 0.000) 15.784 16.778 ( -14.677 -2.418 0.000) 14.875 16.837 ( -11.688 0.733 0.000) 11.711 16.849 ( -11.407 -0.103 0.000) 11.407 19.705 ( -2.629 1.749 0.000) 3.157 19.753 ( -4.112 -2.302 0.000) 4.713 19.904 ( 0.689 2.201 0.000) 2.307 19.983 ( -0.664 -5.012 0.000) 5.056 20.037 ( 1.463 4.860 0.000) 5.075 20.172 ( 2.036 -7.000 0.000) 7.290 20.320 ( -7.160 10.217 0.000) 12.476 20.535 ( 5.838 5.012 0.000) 7.694 20.569 ( -7.894 -12.115 0.000) 14.460 20.608 ( 5.008 -1.706 0.000) 5.291 20.927 ( -5.899 5.715 0.000) 8.214 21.037 ( -6.912 -2.603 0.000) 7.386 21.110 ( 10.665 2.720 0.000) 11.007 21.198 ( 10.130 -4.755 0.000) 11.191 21.375 ( -2.862 7.689 0.000) 8.204 21.446 ( -0.946 1.602 0.000) 1.861 21.464 ( -0.701 -0.138 0.000) 0.715 21.592 ( -4.062 -10.631 0.000) 11.381 22.283 ( 1.769 0.922 0.000) 1.995 22.304 ( 7.489 0.874 0.000) 7.540 22.316 ( 0.749 -1.239 0.000) 1.448 22.325 ( 8.452 -0.913 0.000) 8.501 22.545 ( 0.407 0.793 0.000) 0.892 22.558 ( -0.532 -0.078 0.000) 0.537 22.814 ( 1.574 0.724 0.000) 1.733 22.832 ( 1.359 -0.796 0.000) 1.575 23.005 ( -0.803 1.312 0.000) 1.538 23.035 ( -1.285 -1.167 0.000) 1.736 23.047 ( -0.565 1.737 0.000) 1.826 23.078 ( -1.965 -0.478 0.000) 2.022 23.168 ( -8.141 10.387 0.000) 13.197 23.381 ( -14.903 -7.293 0.000) 16.592 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 12.980 3.328 0.000) 13.400 1.568 ( 4.691 -0.603 0.000) 4.730 1.591 ( 12.231 -2.509 0.000) 12.485 1.596 ( 1.382 -3.066 0.000) 3.363 1.723 ( 0.898 1.615 0.000) 1.848 1.762 ( -1.658 -1.153 0.000) 2.020 1.872 ( -3.562 2.429 0.000) 4.312 1.926 ( -0.808 -2.385 0.000) 2.518 2.114 ( 5.305 3.396 0.000) 6.299 2.171 ( 4.590 -1.715 0.000) 4.899 2.205 ( 5.088 3.548 0.000) 6.203 2.278 ( 7.401 4.896 0.000) 8.874 2.312 ( 6.433 -5.679 0.000) 8.581 2.382 ( 7.150 -3.959 0.000) 8.173 2.521 ( -0.958 0.787 0.000) 1.239 2.544 ( -2.559 -1.675 0.000) 3.059 2.640 ( -1.338 0.109 0.000) 1.343 2.645 ( -1.748 -0.127 0.000) 1.752 2.767 ( 6.294 4.695 0.000) 7.852 2.824 ( 0.111 1.354 0.000) 1.358 2.826 ( 1.761 1.322 0.000) 2.202 2.859 ( -0.263 0.588 0.000) 0.644 2.893 ( 2.238 -2.279 0.000) 3.194 2.899 ( 4.352 -3.427 0.000) 5.539 3.002 ( -3.365 0.415 0.000) 3.390 3.021 ( -2.621 -0.858 0.000) 2.758 3.118 ( 5.276 5.990 0.000) 7.982 3.202 ( 5.164 1.698 0.000) 5.437 3.257 ( 0.814 -1.445 0.000) 1.658 3.300 ( 0.730 -3.742 0.000) 3.813 3.409 ( -4.039 2.592 0.000) 4.799 3.418 ( -7.324 3.845 0.000) 8.272 3.466 ( -1.686 -2.548 0.000) 3.055 3.531 ( -5.594 -5.030 0.000) 7.523 3.531 ( 1.976 0.611 0.000) 2.068 3.633 ( 6.318 -5.003 0.000) 8.059 3.703 ( 11.167 1.274 0.000) 11.239 3.734 ( 3.979 -3.550 0.000) 5.333 3.786 ( 3.983 0.685 0.000) 4.041 3.843 ( 8.837 -3.871 0.000) 9.648 4.045 ( 1.827 2.464 0.000) 3.067 4.076 ( 5.613 5.725 0.000) 8.017 4.090 ( 4.974 -0.331 0.000) 4.985 4.188 ( 1.905 -2.071 0.000) 2.814 4.222 ( -0.071 7.087 0.000) 7.087 4.364 ( 1.320 -3.162 0.000) 3.426 4.366 ( -4.383 5.062 0.000) 6.696 4.403 ( -2.973 1.086 0.000) 3.166 4.459 ( -1.443 0.814 0.000) 1.657 4.479 ( -6.591 0.649 0.000) 6.622 4.542 ( -0.092 -1.265 0.000) 1.269 4.552 ( -2.816 -6.270 0.000) 6.874 4.873 ( 0.168 2.575 0.000) 2.581 4.912 ( 0.172 -0.374 0.000) 0.412 4.961 ( -3.365 1.500 0.000) 3.684 4.999 ( 6.432 6.729 0.000) 9.308 5.077 ( -1.651 -7.707 0.000) 7.882 5.184 ( 6.024 -9.666 0.000) 11.389 5.309 ( -5.513 5.227 0.000) 7.597 5.339 ( -1.916 4.246 0.000) 4.658 5.390 ( 0.520 -0.749 0.000) 0.912 5.471 ( -7.250 -2.941 0.000) 7.824 5.539 ( -0.340 2.070 0.000) 2.098 5.549 ( -0.084 -3.119 0.000) 3.120 5.555 ( -0.203 0.999 0.000) 1.019 5.691 ( -5.170 -9.720 0.000) 11.009 5.803 ( 1.597 1.278 0.000) 2.045 5.842 ( 0.079 -1.883 0.000) 1.885 5.904 ( -3.585 4.171 0.000) 5.500 5.944 ( -3.781 3.507 0.000) 5.157 5.954 ( -1.791 0.345 0.000) 1.823 5.989 ( -2.032 0.007 0.000) 2.032 6.065 ( -7.963 1.119 0.000) 8.042 6.091 ( -3.321 6.846 0.000) 7.609 6.094 ( -5.040 -0.942 0.000) 5.128 6.192 ( -1.578 -1.883 0.000) 2.457 6.358 ( 4.903 4.011 0.000) 6.335 6.389 ( -0.218 0.877 0.000) 0.904 6.430 ( -0.858 -2.470 0.000) 2.615 6.438 ( 3.420 -2.928 0.000) 4.502 7.013 ( 5.584 6.441 0.000) 8.525 7.167 ( 1.186 -6.013 0.000) 6.129 7.170 ( 1.873 0.810 0.000) 2.041 7.178 ( 0.325 0.520 0.000) 0.614 7.346 ( -0.492 6.157 0.000) 6.176 7.456 ( -0.485 5.337 0.000) 5.359 7.509 ( 3.430 -7.226 0.000) 7.999 7.593 ( 3.725 -5.709 0.000) 6.817 7.992 ( 2.214 4.250 0.000) 4.792 8.009 ( -1.508 5.766 0.000) 5.960 8.130 ( 2.479 -5.815 0.000) 6.321 8.180 ( -0.493 -6.970 0.000) 6.987 8.227 ( 3.072 3.590 0.000) 4.724 8.388 ( 2.479 -7.896 0.000) 8.276 8.429 ( -1.446 2.531 0.000) 2.915 8.503 ( -1.179 -0.172 0.000) 1.192 8.542 ( -0.639 0.541 0.000) 0.837 8.618 ( -3.000 3.799 0.000) 4.841 8.662 ( -3.784 -6.034 0.000) 7.123 8.719 ( -5.895 -3.732 0.000) 6.977 9.221 ( -7.525 4.171 0.000) 8.604 9.297 ( -4.086 13.199 0.000) 13.817 9.308 ( -1.810 -2.968 0.000) 3.476 9.528 ( -1.289 -7.044 0.000) 7.160 9.742 ( 4.918 5.327 0.000) 7.250 9.834 ( 9.332 -0.928 0.000) 9.378 10.069 ( -6.470 1.354 0.000) 6.610 10.106 ( 5.645 -1.124 0.000) 5.756 10.109 ( -8.923 -1.864 0.000) 9.115 10.130 ( 4.066 -3.784 0.000) 5.555 10.334 ( 7.544 2.659 0.000) 7.999 10.376 ( 12.204 -0.844 0.000) 12.233 10.416 ( -8.536 3.128 0.000) 9.091 10.486 ( -7.220 -2.168 0.000) 7.539 10.584 ( -4.423 1.562 0.000) 4.691 10.657 ( -2.851 -4.818 0.000) 5.598 10.884 ( 7.890 5.515 0.000) 9.626 11.006 ( 6.032 -4.659 0.000) 7.621 11.171 ( 13.566 9.642 0.000) 16.644 11.390 ( -4.776 1.863 0.000) 5.126 11.434 ( -7.688 -1.603 0.000) 7.853 11.447 ( 11.073 -14.530 0.000) 18.269 11.604 ( 2.569 3.565 0.000) 4.394 11.695 ( 0.091 -4.516 0.000) 4.517 12.009 ( -1.917 8.264 0.000) 8.484 12.013 ( 0.302 7.097 0.000) 7.103 12.165 ( 0.286 -4.959 0.000) 4.967 12.175 ( 2.834 10.055 0.000) 10.447 12.204 ( 0.597 -8.364 0.000) 8.385 12.378 ( -1.776 4.428 0.000) 4.770 12.381 ( -3.413 -5.974 0.000) 6.880 12.524 ( -3.878 -7.739 0.000) 8.657 12.766 ( 1.862 4.820 0.000) 5.168 12.845 ( 3.102 -1.764 0.000) 3.569 12.998 ( -4.017 2.502 0.000) 4.733 13.033 ( -3.570 0.273 0.000) 3.581 13.296 ( 10.405 3.607 0.000) 11.012 13.394 ( 9.375 -4.220 0.000) 10.282 13.476 ( 8.130 0.688 0.000) 8.159 13.525 ( 9.265 -2.889 0.000) 9.705 13.601 ( 2.211 2.899 0.000) 3.646 13.677 ( 1.802 -3.181 0.000) 3.656 13.879 ( -4.578 0.963 0.000) 4.678 13.910 ( -2.009 -1.412 0.000) 2.455 14.051 ( 35.992 5.258 0.000) 36.374 14.187 ( 33.342 -6.607 0.000) 33.991 14.622 ( 1.036 4.209 0.000) 4.335 14.685 ( 26.413 6.671 0.000) 27.242 14.739 ( 2.019 -5.991 0.000) 6.322 14.872 ( 14.227 -7.881 0.000) 16.263 14.956 ( -0.891 2.852 0.000) 2.988 14.995 ( -2.885 -0.648 0.000) 2.956 15.081 ( -6.041 8.429 0.000) 10.370 15.322 ( -10.193 -9.498 0.000) 13.932 15.623 ( -7.149 6.354 0.000) 9.565 15.715 ( -10.280 -0.687 0.000) 10.303 16.312 ( -24.393 2.314 0.000) 24.502 16.372 ( -24.010 -2.743 0.000) 24.166 16.524 ( -18.173 1.536 0.000) 18.237 16.557 ( -16.415 -1.214 0.000) 16.460 19.678 ( 0.139 0.585 0.000) 0.601 19.696 ( -1.024 -0.925 0.000) 1.380 19.883 ( -3.287 1.386 0.000) 3.567 19.925 ( -4.597 -2.155 0.000) 5.077 20.086 ( 2.870 5.151 0.000) 5.896 20.221 ( -2.223 7.234 0.000) 7.568 20.230 ( 3.207 -7.378 0.000) 8.045 20.422 ( -5.224 -10.487 0.000) 11.717 20.651 ( 4.481 5.089 0.000) 6.780 20.721 ( 5.444 -1.347 0.000) 5.608 20.806 ( -5.163 5.956 0.000) 7.882 20.911 ( -4.629 -2.976 0.000) 5.503 21.168 ( -3.044 1.851 0.000) 3.562 21.245 ( -1.243 -4.739 0.000) 4.899 21.285 ( -5.350 7.767 0.000) 9.431 21.483 ( -5.918 -8.788 0.000) 10.595 21.568 ( 11.192 3.848 0.000) 11.835 21.637 ( 12.938 -2.184 0.000) 13.121 22.241 ( -6.356 2.089 0.000) 6.691 22.278 ( -4.187 -0.976 0.000) 4.299 22.434 ( 4.750 1.601 0.000) 5.013 22.473 ( 5.306 -1.633 0.000) 5.551 22.549 ( -0.382 0.618 0.000) 0.726 22.555 ( 0.691 0.163 0.000) 0.710 22.866 ( 3.246 0.813 0.000) 3.347 22.883 ( 3.440 -0.532 0.000) 3.481 22.985 ( -3.089 2.290 0.000) 3.846 22.987 ( -0.708 0.663 0.000) 0.970 23.005 ( -1.437 -0.812 0.000) 1.650 23.020 ( -4.008 -0.588 0.000) 4.051 23.094 ( -1.791 1.318 0.000) 2.224 23.146 ( -6.346 -2.766 0.000) 6.923 ======================= Grid point 13 (10/30) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 0.337 1.545 0.000) 1.581 1.616 ( 0.453 2.083 0.000) 2.131 1.624 ( -0.237 -1.267 0.000) 1.289 1.640 ( -3.670 0.376 0.000) 3.689 1.791 ( 3.539 2.824 0.000) 4.528 1.851 ( -1.594 1.699 0.000) 2.330 1.855 ( 8.383 -1.836 0.000) 8.582 1.944 ( 1.008 -6.286 0.000) 6.366 2.211 ( 3.726 4.291 0.000) 5.683 2.265 ( 5.593 -0.951 0.000) 5.673 2.269 ( -0.502 4.793 0.000) 4.819 2.382 ( -3.495 -3.815 0.000) 5.174 2.389 ( 4.811 3.167 0.000) 5.760 2.473 ( 1.959 -3.890 0.000) 4.355 2.475 ( 0.033 -1.059 0.000) 1.060 2.493 ( -2.987 -1.767 0.000) 3.470 2.709 ( 6.918 0.291 0.000) 6.925 2.715 ( 7.071 -0.210 0.000) 7.074 2.777 ( -0.363 1.410 0.000) 1.456 2.826 ( -0.803 -1.471 0.000) 1.676 2.827 ( -1.853 1.514 0.000) 2.392 2.879 ( -3.814 -0.113 0.000) 3.816 2.884 ( -1.778 -2.864 0.000) 3.371 2.905 ( -6.383 -1.385 0.000) 6.531 2.993 ( 7.510 3.940 0.000) 8.481 3.053 ( 6.314 -1.243 0.000) 6.435 3.113 ( -2.310 3.814 0.000) 4.459 3.190 ( -6.072 -0.917 0.000) 6.141 3.290 ( -3.369 3.614 0.000) 4.941 3.296 ( -2.496 -0.272 0.000) 2.511 3.314 ( 2.877 -2.077 0.000) 3.549 3.362 ( -1.623 2.438 0.000) 2.929 3.423 ( -0.927 -3.975 0.000) 4.082 3.476 ( -4.272 1.666 0.000) 4.585 3.500 ( 3.424 -5.220 0.000) 6.243 3.593 ( -4.374 -7.058 0.000) 8.303 3.872 ( 3.650 7.203 0.000) 8.075 3.881 ( 4.356 7.156 0.000) 8.378 3.963 ( 8.690 -0.098 0.000) 8.690 4.021 ( 3.833 -3.508 0.000) 5.196 4.079 ( 3.867 1.432 0.000) 4.124 4.140 ( 0.346 0.810 0.000) 0.881 4.146 ( 0.959 -2.746 0.000) 2.908 4.175 ( -2.667 -0.945 0.000) 2.830 4.281 ( 2.832 6.451 0.000) 7.046 4.315 ( -1.726 6.027 0.000) 6.269 4.383 ( 1.122 0.321 0.000) 1.167 4.403 ( 1.062 -3.318 0.000) 3.484 4.450 ( 2.363 -2.183 0.000) 3.217 4.456 ( 1.834 -0.659 0.000) 1.949 4.493 ( -2.582 -4.020 0.000) 4.778 4.527 ( -2.713 -5.879 0.000) 6.474 4.881 ( 0.290 5.113 0.000) 5.121 4.893 ( -1.838 6.287 0.000) 6.550 4.959 ( 4.398 -1.407 0.000) 4.617 5.058 ( -2.623 -6.516 0.000) 7.025 5.106 ( 4.875 3.810 0.000) 6.187 5.204 ( -2.790 3.697 0.000) 4.632 5.261 ( 1.220 -9.305 0.000) 9.384 5.275 ( -4.084 -1.777 0.000) 4.454 5.381 ( 2.185 0.060 0.000) 2.186 5.417 ( 2.215 -3.953 0.000) 4.531 5.477 ( -5.269 2.161 0.000) 5.695 5.519 ( -4.324 -0.933 0.000) 4.424 5.600 ( 4.204 0.241 0.000) 4.210 5.651 ( 1.338 -3.338 0.000) 3.596 5.725 ( -7.517 0.113 0.000) 7.518 5.743 ( -7.423 -0.959 0.000) 7.485 5.860 ( -0.425 2.870 0.000) 2.901 5.876 ( -1.706 2.537 0.000) 3.058 5.932 ( 0.012 -2.369 0.000) 2.369 5.945 ( -0.836 -2.659 0.000) 2.787 6.025 ( 2.136 5.424 0.000) 5.829 6.059 ( -0.802 6.751 0.000) 6.798 6.093 ( 2.591 -0.245 0.000) 2.602 6.149 ( -2.410 -0.960 0.000) 2.594 6.393 ( 0.737 1.345 0.000) 1.534 6.408 ( 0.065 2.632 0.000) 2.633 6.431 ( 1.042 -1.860 0.000) 2.132 6.460 ( -0.949 -1.866 0.000) 2.093 7.115 ( 4.056 2.960 0.000) 5.021 7.173 ( -0.525 1.122 0.000) 1.239 7.175 ( -0.082 -1.831 0.000) 1.833 7.180 ( -1.242 0.422 0.000) 1.312 7.360 ( 2.058 8.667 0.000) 8.908 7.417 ( -2.818 8.437 0.000) 8.895 7.579 ( 3.052 -9.667 0.000) 10.137 7.623 ( -0.717 -9.066 0.000) 9.094 8.011 ( 1.116 5.189 0.000) 5.308 8.024 ( 0.456 4.366 0.000) 4.390 8.175 ( 1.576 -5.770 0.000) 5.982 8.186 ( 0.404 -6.371 0.000) 6.383 8.282 ( 2.697 1.909 0.000) 3.304 8.359 ( -4.342 0.727 0.000) 4.402 8.415 ( 0.755 -7.001 0.000) 7.041 8.450 ( -2.801 -4.956 0.000) 5.693 8.555 ( 0.440 0.949 0.000) 1.046 8.566 ( -1.501 1.594 0.000) 2.189 8.610 ( -0.664 -3.115 0.000) 3.185 8.630 ( -2.350 -2.630 0.000) 3.527 9.153 ( 1.032 11.556 0.000) 11.602 9.218 ( -3.890 14.655 0.000) 15.162 9.341 ( 4.256 -5.441 0.000) 6.908 9.454 ( -5.477 -6.300 0.000) 8.348 9.838 ( 4.396 5.998 0.000) 7.437 9.945 ( -6.264 1.601 0.000) 6.465 10.009 ( 5.818 -6.248 0.000) 8.537 10.025 ( 1.188 -4.560 0.000) 4.712 10.146 ( 0.887 1.683 0.000) 1.903 10.237 ( 5.563 -4.122 0.000) 6.924 10.249 ( -7.427 4.485 0.000) 8.676 10.354 ( -5.698 -4.120 0.000) 7.031 10.445 ( 3.801 5.578 0.000) 6.750 10.510 ( -2.854 4.190 0.000) 5.070 10.562 ( 5.545 -4.639 0.000) 7.230 10.623 ( -1.195 -5.747 0.000) 5.870 11.038 ( 6.725 3.585 0.000) 7.621 11.094 ( 4.150 -1.118 0.000) 4.298 11.205 ( -9.897 2.126 0.000) 10.123 11.228 ( -8.719 0.240 0.000) 8.722 11.451 ( 11.580 5.409 0.000) 12.781 11.622 ( 5.847 -9.464 0.000) 11.125 11.631 ( -5.067 1.110 0.000) 5.187 11.684 ( 0.116 -3.968 0.000) 3.970 12.031 ( 2.538 9.407 0.000) 9.743 12.054 ( 1.535 9.626 0.000) 9.747 12.194 ( 2.358 -4.462 0.000) 5.047 12.207 ( 1.308 1.372 0.000) 1.895 12.271 ( 4.930 -5.158 0.000) 7.135 12.305 ( -2.256 -5.426 0.000) 5.877 12.317 ( -3.759 2.075 0.000) 4.294 12.415 ( -6.415 -6.542 0.000) 9.162 12.819 ( 3.281 5.074 0.000) 6.043 12.898 ( 2.243 -1.810 0.000) 2.882 12.905 ( -4.627 3.035 0.000) 5.533 12.953 ( -3.302 -0.866 0.000) 3.414 13.486 ( 8.223 2.855 0.000) 8.705 13.568 ( 7.557 -3.154 0.000) 8.189 13.607 ( 4.868 3.117 0.000) 5.780 13.608 ( -2.376 2.276 0.000) 3.291 13.673 ( -2.308 -1.862 0.000) 2.966 13.697 ( 7.154 -3.738 0.000) 8.072 13.740 ( -7.924 2.891 0.000) 8.435 13.828 ( -5.386 -3.729 0.000) 6.551 14.696 ( 5.725 5.243 0.000) 7.762 14.799 ( 6.524 2.954 0.000) 7.162 14.822 ( 24.543 1.400 0.000) 24.583 14.835 ( 7.013 -6.706 0.000) 9.703 14.988 ( 1.823 1.350 0.000) 2.269 14.996 ( 11.990 -0.128 0.000) 11.991 15.008 ( 4.784 0.067 0.000) 4.784 15.076 ( 5.069 -4.771 0.000) 6.961 15.112 ( 8.866 0.715 0.000) 8.895 15.142 ( 5.987 -2.231 0.000) 6.389 15.636 ( 14.281 7.594 0.000) 16.174 15.710 ( -32.592 2.795 0.000) 32.711 15.776 ( -32.487 -2.739 0.000) 32.602 15.780 ( 14.773 -4.878 0.000) 15.557 16.084 ( -23.177 3.789 0.000) 23.485 16.170 ( -19.877 -3.374 0.000) 20.162 19.703 ( 2.342 0.649 0.000) 2.430 19.723 ( 3.332 -0.975 0.000) 3.472 19.782 ( -5.004 1.350 0.000) 5.183 19.817 ( -5.289 -1.558 0.000) 5.514 20.147 ( 2.737 5.228 0.000) 5.901 20.191 ( -1.422 5.361 0.000) 5.546 20.297 ( 2.995 -7.907 0.000) 8.455 20.351 ( -2.347 -8.743 0.000) 9.053 20.706 ( 0.993 6.602 0.000) 6.676 20.728 ( -2.060 6.850 0.000) 7.153 20.816 ( 2.972 -3.129 0.000) 4.316 20.850 ( -1.403 -4.086 0.000) 4.321 21.115 ( -0.383 4.945 0.000) 4.960 21.171 ( -4.937 7.455 0.000) 8.942 21.258 ( 2.958 -6.933 0.000) 7.537 21.356 ( -5.850 -8.123 0.000) 10.011 21.819 ( 11.886 4.380 0.000) 12.668 21.905 ( 12.082 -2.977 0.000) 12.444 22.055 ( -10.502 4.006 0.000) 11.240 22.133 ( -9.378 -2.624 0.000) 9.738 22.505 ( 2.185 1.778 0.000) 2.818 22.536 ( -0.938 1.319 0.000) 1.618 22.547 ( 1.963 -1.743 0.000) 2.625 22.565 ( 0.035 -1.135 0.000) 1.136 22.921 ( 1.214 1.378 0.000) 1.836 22.944 ( -1.992 0.439 0.000) 2.040 22.953 ( 1.536 -1.298 0.000) 2.010 22.954 ( -0.301 -0.326 0.000) 0.444 22.988 ( 1.424 0.525 0.000) 1.518 23.000 ( 2.313 -0.464 0.000) 2.360 23.047 ( -2.770 0.617 0.000) 2.838 23.064 ( -3.141 -0.730 0.000) 3.224 ======================= Grid point 27 (11/30) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 0.000 25.726) 25.726 0.543 ( 0.000 0.000 28.529) 28.529 0.747 ( 0.000 0.000 39.073) 39.073 1.504 ( 0.000 0.000 -13.813) 13.813 1.529 ( 0.000 0.000 -11.423) 11.423 1.615 ( 0.000 0.000 5.472) 5.472 1.647 ( 0.000 0.000 1.092) 1.092 1.685 ( 0.000 0.000 -13.699) 13.699 1.770 ( 0.000 0.000 -8.506) 8.506 1.912 ( 0.000 0.000 2.597) 2.597 1.922 ( 0.000 0.000 1.906) 1.906 2.050 ( 0.000 0.000 4.084) 4.084 2.208 ( 0.000 0.000 -2.017) 2.017 2.209 ( 0.000 0.000 -0.894) 0.894 2.366 ( 0.000 0.000 -3.805) 3.805 2.449 ( 0.000 0.000 -6.166) 6.166 2.535 ( 0.000 0.000 -6.293) 6.293 2.556 ( 0.000 0.000 5.166) 5.166 2.643 ( 0.000 0.000 -14.129) 14.129 2.721 ( 0.000 0.000 -1.317) 1.317 2.793 ( 0.000 0.000 1.454) 1.454 2.855 ( 0.000 0.000 16.989) 16.989 2.887 ( 0.000 0.000 6.547) 6.547 3.008 ( 0.000 0.000 -7.778) 7.778 3.017 ( 0.000 0.000 7.930) 7.930 3.095 ( 0.000 0.000 -2.132) 2.132 3.165 ( 0.000 0.000 -0.710) 0.710 3.178 ( 0.000 0.000 -0.491) 0.491 3.178 ( 0.000 0.000 12.213) 12.213 3.246 ( 0.000 0.000 6.423) 6.423 3.247 ( 0.000 0.000 3.334) 3.334 3.340 ( 0.000 0.000 4.264) 4.264 3.406 ( 0.000 0.000 6.411) 6.411 3.425 ( 0.000 0.000 5.196) 5.196 3.505 ( 0.000 0.000 0.827) 0.827 3.513 ( 0.000 0.000 -7.605) 7.605 3.559 ( 0.000 0.000 -1.931) 1.931 3.598 ( 0.000 0.000 -4.050) 4.050 3.676 ( 0.000 0.000 -4.079) 4.079 3.688 ( 0.000 0.000 -1.425) 1.425 3.962 ( 0.000 0.000 -1.815) 1.815 4.043 ( 0.000 0.000 -9.209) 9.209 4.094 ( 0.000 0.000 -13.238) 13.238 4.203 ( 0.000 0.000 3.185) 3.185 4.210 ( 0.000 0.000 -8.255) 8.255 4.408 ( 0.000 0.000 5.944) 5.944 4.420 ( 0.000 0.000 4.373) 4.373 4.453 ( 0.000 0.000 -2.187) 2.187 4.614 ( 0.000 0.000 2.592) 2.592 4.737 ( 0.000 0.000 -3.729) 3.729 4.749 ( 0.000 0.000 -2.639) 2.639 4.845 ( 0.000 0.000 -5.190) 5.190 4.899 ( 0.000 0.000 4.857) 4.857 4.907 ( 0.000 0.000 7.083) 7.083 4.935 ( 0.000 0.000 4.689) 4.689 5.017 ( 0.000 0.000 3.602) 3.602 5.081 ( 0.000 0.000 4.072) 4.072 5.163 ( 0.000 0.000 -4.134) 4.134 5.219 ( 0.000 0.000 -4.209) 4.209 5.371 ( 0.000 0.000 -4.279) 4.279 5.446 ( 0.000 0.000 9.786) 9.786 5.528 ( 0.000 0.000 4.638) 4.638 5.562 ( 0.000 0.000 0.013) 0.013 5.640 ( 0.000 0.000 3.919) 3.919 5.695 ( 0.000 0.000 3.238) 3.238 5.711 ( 0.000 0.000 4.422) 4.422 5.757 ( 0.000 0.000 -0.458) 0.458 5.772 ( 0.000 0.000 -0.096) 0.096 5.875 ( 0.000 0.000 7.559) 7.559 5.962 ( 0.000 0.000 -5.428) 5.428 6.065 ( 0.000 0.000 -2.352) 2.352 6.098 ( 0.000 0.000 -5.727) 5.727 6.236 ( 0.000 0.000 -3.962) 3.962 6.345 ( 0.000 0.000 -0.830) 0.830 6.358 ( 0.000 0.000 -0.044) 0.044 6.381 ( 0.000 0.000 1.927) 1.927 6.382 ( 0.000 0.000 4.023) 4.023 6.408 ( 0.000 0.000 -4.016) 4.016 6.526 ( 0.000 0.000 -2.678) 2.678 6.687 ( 0.000 0.000 -6.860) 6.860 6.718 ( 0.000 0.000 0.473) 0.473 7.036 ( 0.000 0.000 2.417) 2.417 7.111 ( 0.000 0.000 2.432) 2.432 7.147 ( 0.000 0.000 -11.280) 11.280 7.165 ( 0.000 0.000 9.405) 9.405 7.183 ( 0.000 0.000 4.289) 4.289 7.302 ( 0.000 0.000 1.552) 1.552 7.418 ( 0.000 0.000 -0.146) 0.146 7.848 ( 0.000 0.000 -3.282) 3.282 7.935 ( 0.000 0.000 1.489) 1.489 8.091 ( 0.000 0.000 8.657) 8.657 8.150 ( 0.000 0.000 0.388) 0.388 8.246 ( 0.000 0.000 0.775) 0.775 8.344 ( 0.000 0.000 2.994) 2.994 8.345 ( 0.000 0.000 1.718) 1.718 8.435 ( 0.000 0.000 -5.168) 5.168 8.891 ( 0.000 0.000 0.389) 0.389 8.904 ( 0.000 0.000 -9.149) 9.149 8.962 ( 0.000 0.000 -22.911) 22.911 9.044 ( 0.000 0.000 -0.653) 0.653 9.155 ( 0.000 0.000 2.283) 2.283 9.210 ( 0.000 0.000 -1.046) 1.046 9.216 ( 0.000 0.000 3.937) 3.937 9.350 ( 0.000 0.000 -1.642) 1.642 9.548 ( 0.000 0.000 4.289) 4.289 9.651 ( 0.000 0.000 -0.625) 0.625 9.782 ( 0.000 0.000 10.713) 10.713 9.822 ( 0.000 0.000 3.789) 3.789 9.894 ( 0.000 0.000 -0.682) 0.682 10.333 ( 0.000 0.000 -11.357) 11.357 10.392 ( 0.000 0.000 -2.711) 2.711 10.401 ( 0.000 0.000 -4.693) 4.693 10.436 ( 0.000 0.000 2.761) 2.761 10.559 ( 0.000 0.000 -3.727) 3.727 10.807 ( 0.000 0.000 -8.043) 8.043 10.829 ( 0.000 0.000 12.261) 12.261 10.842 ( 0.000 0.000 -3.638) 3.638 10.906 ( 0.000 0.000 -0.587) 0.587 10.923 ( 0.000 0.000 -0.283) 0.283 11.074 ( 0.000 0.000 15.426) 15.426 11.097 ( 0.000 0.000 8.490) 8.490 11.138 ( 0.000 0.000 6.711) 6.711 11.310 ( 0.000 0.000 11.847) 11.847 11.424 ( 0.000 0.000 7.821) 7.821 11.949 ( 0.000 0.000 12.583) 12.583 11.971 ( 0.000 0.000 -11.283) 11.283 12.207 ( 0.000 0.000 -3.725) 3.725 12.304 ( 0.000 0.000 -14.424) 14.424 12.342 ( 0.000 0.000 -18.301) 18.301 12.443 ( 0.000 0.000 0.426) 0.426 12.520 ( 0.000 0.000 -3.696) 3.696 12.534 ( 0.000 0.000 -6.810) 6.810 12.580 ( 0.000 0.000 0.066) 0.066 12.690 ( 0.000 0.000 -1.286) 1.286 12.774 ( 0.000 0.000 0.500) 0.500 12.888 ( 0.000 0.000 -4.790) 4.790 12.922 ( 0.000 0.000 2.484) 2.484 13.048 ( 0.000 0.000 -2.278) 2.278 13.149 ( 0.000 0.000 0.727) 0.727 13.236 ( 0.000 0.000 -1.157) 1.157 13.378 ( 0.000 0.000 2.018) 2.018 13.419 ( 0.000 0.000 1.147) 1.147 13.437 ( 0.000 0.000 6.836) 6.836 13.490 ( 0.000 0.000 3.678) 3.678 13.502 ( 0.000 0.000 -0.695) 0.695 13.633 ( 0.000 0.000 5.375) 5.375 13.895 ( 0.000 0.000 0.090) 0.090 13.898 ( 0.000 0.000 -3.494) 3.494 14.786 ( 0.000 0.000 4.598) 4.598 15.088 ( 0.000 0.000 -3.438) 3.438 15.185 ( 0.000 0.000 1.252) 1.252 15.237 ( 0.000 0.000 -0.088) 0.088 15.476 ( 0.000 0.000 0.813) 0.813 15.542 ( 0.000 0.000 -0.791) 0.791 15.952 ( 0.000 0.000 7.456) 7.456 16.505 ( 0.000 0.000 -9.144) 9.144 17.069 ( 0.000 0.000 1.415) 1.415 17.072 ( 0.000 0.000 3.093) 3.093 17.158 ( 0.000 0.000 3.260) 3.260 17.177 ( 0.000 0.000 -1.268) 1.268 19.876 ( 0.000 0.000 3.654) 3.654 19.884 ( 0.000 0.000 -3.317) 3.317 19.932 ( 0.000 0.000 -1.797) 1.797 20.087 ( 0.000 0.000 6.192) 6.192 20.090 ( 0.000 0.000 -1.192) 1.192 20.233 ( 0.000 0.000 0.941) 0.941 20.404 ( 0.000 0.000 -6.042) 6.042 20.407 ( 0.000 0.000 -3.041) 3.041 20.565 ( 0.000 0.000 -2.524) 2.524 20.655 ( 0.000 0.000 -4.503) 4.503 20.786 ( 0.000 0.000 0.618) 0.618 20.830 ( 0.000 0.000 -0.898) 0.898 20.898 ( 0.000 0.000 1.567) 1.567 21.238 ( 0.000 0.000 5.668) 5.668 21.255 ( 0.000 0.000 6.709) 6.709 21.258 ( 0.000 0.000 -7.271) 7.271 21.533 ( 0.000 0.000 1.062) 1.062 21.952 ( 0.000 0.000 -5.418) 5.418 21.982 ( 0.000 0.000 -7.397) 7.397 21.997 ( 0.000 0.000 -5.830) 5.830 22.446 ( 0.000 0.000 11.970) 11.970 22.494 ( 0.000 0.000 3.250) 3.250 22.552 ( 0.000 0.000 3.021) 3.021 22.580 ( 0.000 0.000 1.507) 1.507 22.859 ( 0.000 0.000 2.675) 2.675 22.988 ( 0.000 0.000 -0.666) 0.666 22.989 ( 0.000 0.000 0.002) 0.002 23.036 ( 0.000 0.000 -2.240) 2.240 23.140 ( 0.000 0.000 3.071) 3.071 23.156 ( 0.000 0.000 3.997) 3.997 23.241 ( 0.000 0.000 -0.262) 0.262 23.718 ( 0.000 0.000 -8.821) 8.821 ======================= Grid point 28 (12/30) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 17.579 0.000 14.214) 22.606 0.804 ( 20.375 0.000 17.693) 26.985 1.202 ( 29.999 0.000 20.748) 36.475 1.544 ( 2.208 0.000 -9.084) 9.348 1.548 ( 3.396 0.000 -11.588) 12.075 1.676 ( 0.948 0.000 -13.045) 13.080 1.695 ( 4.703 0.000 2.189) 5.187 1.786 ( 11.632 0.000 2.658) 11.932 1.803 ( 2.661 0.000 -6.311) 6.850 1.935 ( 3.299 0.000 1.146) 3.492 1.978 ( 4.504 0.000 4.716) 6.521 2.088 ( 3.994 0.000 1.911) 4.427 2.150 ( -5.137 0.000 -1.872) 5.467 2.204 ( 1.118 0.000 0.897) 1.433 2.422 ( -1.508 0.000 -3.094) 3.442 2.430 ( 5.869 0.000 -3.226) 6.697 2.580 ( 2.088 0.000 0.774) 2.227 2.589 ( 3.890 0.000 -4.248) 5.760 2.644 ( 0.382 0.000 -11.578) 11.584 2.700 ( -2.260 0.000 -1.858) 2.925 2.849 ( 2.502 0.000 1.129) 2.745 2.904 ( 2.396 0.000 12.698) 12.922 2.954 ( 8.025 0.000 7.078) 10.701 3.015 ( 5.117 0.000 3.652) 6.287 3.033 ( -5.166 0.000 8.342) 9.813 3.043 ( -1.037 0.000 0.679) 1.239 3.080 ( -2.634 0.000 -1.482) 3.023 3.087 ( -5.959 0.000 3.776) 7.055 3.274 ( 5.529 0.000 2.841) 6.216 3.283 ( -3.134 0.000 3.696) 4.846 3.305 ( 2.233 0.000 0.239) 2.246 3.314 ( -0.545 0.000 1.656) 1.743 3.431 ( 8.685 0.000 5.003) 10.023 3.443 ( 3.016 0.000 -0.508) 3.059 3.474 ( -1.120 0.000 2.183) 2.454 3.539 ( 1.458 0.000 -1.971) 2.452 3.543 ( -1.536 0.000 -1.458) 2.118 3.588 ( -1.094 0.000 -3.368) 3.541 3.740 ( 4.497 0.000 -3.100) 5.462 3.744 ( 2.905 0.000 -1.149) 3.124 3.954 ( -0.792 0.000 -2.141) 2.283 4.026 ( -6.692 0.000 -3.634) 7.615 4.043 ( -1.663 0.000 -10.645) 10.774 4.152 ( -3.580 0.000 -5.096) 6.228 4.227 ( 3.931 0.000 -3.784) 5.456 4.351 ( -4.750 0.000 -1.956) 5.137 4.389 ( -1.741 0.000 1.561) 2.338 4.496 ( 1.045 0.000 -1.691) 1.988 4.601 ( -6.977 0.000 -4.133) 8.109 4.664 ( 0.265 0.000 3.050) 3.062 4.693 ( -1.789 0.000 -2.399) 2.992 4.803 ( -5.920 0.000 3.390) 6.822 4.875 ( -3.528 0.000 0.533) 3.568 4.892 ( -2.745 0.000 2.812) 3.930 4.998 ( 3.035 0.000 1.960) 3.613 5.011 ( -0.570 0.000 2.088) 2.164 5.087 ( 1.088 0.000 3.511) 3.676 5.193 ( -0.587 0.000 -3.832) 3.877 5.197 ( 3.101 0.000 -3.783) 4.891 5.368 ( -0.266 0.000 -1.576) 1.598 5.444 ( -0.152 0.000 10.521) 10.522 5.544 ( -0.838 0.000 -0.020) 0.839 5.598 ( 5.324 0.000 3.624) 6.441 5.678 ( -0.111 0.000 3.660) 3.662 5.705 ( 0.556 0.000 3.266) 3.313 5.710 ( -3.919 0.000 -0.136) 3.922 5.743 ( -0.563 0.000 0.040) 0.564 5.822 ( 8.727 0.000 -2.706) 9.137 5.862 ( -0.448 0.000 6.697) 6.712 5.954 ( -2.518 0.000 -5.193) 5.772 6.063 ( -1.889 0.000 -3.506) 3.982 6.086 ( 1.820 0.000 -0.912) 2.036 6.233 ( -4.371 0.000 1.996) 4.805 6.266 ( -2.773 0.000 -5.659) 6.302 6.292 ( -6.272 0.000 -1.874) 6.546 6.344 ( -2.267 0.000 3.202) 3.924 6.395 ( 0.087 0.000 3.237) 3.238 6.417 ( -6.641 0.000 3.804) 7.653 6.480 ( -1.263 0.000 -0.179) 1.275 6.494 ( -2.874 0.000 -4.008) 4.932 6.698 ( -0.225 0.000 4.428) 4.433 7.075 ( 0.074 0.000 5.212) 5.212 7.086 ( 4.634 0.000 1.299) 4.812 7.174 ( 1.713 0.000 -0.255) 1.731 7.222 ( 5.049 0.000 -2.307) 5.551 7.291 ( 4.926 0.000 2.189) 5.391 7.386 ( 3.256 0.000 -5.971) 6.801 7.451 ( 3.131 0.000 -0.427) 3.160 7.840 ( -0.711 0.000 -3.356) 3.431 7.957 ( 2.196 0.000 2.073) 3.020 8.092 ( 0.370 0.000 8.503) 8.511 8.121 ( -0.395 0.000 -3.085) 3.110 8.259 ( 1.312 0.000 -0.958) 1.625 8.322 ( 1.540 0.000 2.294) 2.763 8.450 ( 1.614 0.000 -2.061) 2.617 8.450 ( 4.611 0.000 3.906) 6.043 8.643 ( -6.489 0.000 11.322) 13.050 8.848 ( -9.432 0.000 -17.140) 19.564 8.886 ( -2.093 0.000 -8.018) 8.287 8.988 ( -4.196 0.000 -1.598) 4.490 9.226 ( 5.365 0.000 1.784) 5.654 9.354 ( 9.020 0.000 -1.960) 9.230 9.429 ( 15.978 0.000 1.643) 16.062 9.506 ( 1.997 0.000 1.366) 2.420 9.592 ( -2.879 0.000 3.777) 4.749 9.656 ( 2.455 0.000 6.003) 6.486 9.799 ( 3.090 0.000 0.412) 3.117 9.911 ( 7.359 0.000 1.712) 7.555 9.921 ( 1.521 0.000 -1.738) 2.309 10.068 ( -13.581 0.000 2.961) 13.900 10.268 ( -3.326 0.000 -12.093) 12.543 10.417 ( -4.754 0.000 -8.335) 9.595 10.478 ( 5.124 0.000 0.399) 5.139 10.669 ( -4.586 0.000 2.033) 5.016 10.769 ( 7.736 0.000 3.801) 8.620 10.827 ( -5.429 0.000 -1.901) 5.752 10.847 ( -4.150 0.000 1.815) 4.529 10.910 ( 6.412 0.000 4.124) 7.623 10.954 ( -9.640 0.000 2.099) 9.866 11.197 ( 7.708 0.000 10.073) 12.683 11.207 ( 13.027 0.000 3.212) 13.417 11.339 ( 2.579 0.000 12.393) 12.658 11.350 ( 18.217 0.000 -5.575) 19.051 11.450 ( 2.411 0.000 5.437) 5.947 11.915 ( -1.979 0.000 2.891) 3.504 12.021 ( 2.385 0.000 -2.504) 3.458 12.158 ( -4.336 0.000 -6.760) 8.031 12.244 ( -5.775 0.000 -12.086) 13.395 12.272 ( -2.217 0.000 -12.110) 12.311 12.491 ( -1.831 0.000 -3.729) 4.154 12.520 ( -3.141 0.000 9.181) 9.704 12.553 ( 9.665 0.000 1.163) 9.735 12.711 ( 10.698 0.000 -8.861) 13.891 12.750 ( 1.888 0.000 -0.759) 2.035 12.840 ( 3.456 0.000 -0.608) 3.509 12.842 ( -6.264 0.000 0.752) 6.309 12.895 ( 4.943 0.000 2.326) 5.463 13.015 ( 9.650 0.000 -3.381) 10.225 13.101 ( -2.748 0.000 -1.327) 3.052 13.279 ( 6.294 0.000 -4.507) 7.741 13.400 ( 2.263 0.000 2.918) 3.693 13.487 ( 1.026 0.000 0.291) 1.066 13.521 ( 8.984 0.000 3.578) 9.670 13.550 ( 2.333 0.000 -0.336) 2.357 13.689 ( 6.027 0.000 6.056) 8.544 13.860 ( 2.970 0.000 -6.625) 7.260 13.906 ( 0.656 0.000 -3.154) 3.222 14.102 ( 25.186 0.000 -21.459) 33.088 14.765 ( -1.604 0.000 4.687) 4.953 15.049 ( -3.486 0.000 -3.072) 4.646 15.125 ( -6.458 0.000 3.397) 7.297 15.220 ( -1.709 0.000 -0.466) 1.772 15.341 ( -8.873 0.000 8.177) 12.066 15.373 ( -8.829 0.000 0.860) 8.871 15.936 ( -3.603 0.000 2.887) 4.617 16.351 ( -13.697 0.000 -7.323) 15.532 16.988 ( -7.800 0.000 1.867) 8.020 17.018 ( -5.273 0.000 2.613) 5.885 17.065 ( -8.180 0.000 1.738) 8.363 17.074 ( -7.799 0.000 2.500) 8.190 19.792 ( -4.560 0.000 2.652) 5.275 19.853 ( -2.780 0.000 0.888) 2.918 19.938 ( 0.456 0.000 -1.927) 1.980 20.014 ( -3.962 0.000 7.495) 8.477 20.091 ( 0.311 0.000 -1.316) 1.352 20.262 ( -4.255 0.000 -4.550) 6.230 20.269 ( 2.217 0.000 -0.773) 2.348 20.424 ( -6.342 0.000 8.056) 10.252 20.473 ( 1.746 0.000 -6.675) 6.899 20.740 ( 8.592 0.000 -3.567) 9.303 20.878 ( 6.118 0.000 2.754) 6.709 20.950 ( 8.831 0.000 0.668) 8.856 21.135 ( -6.106 0.000 0.017) 6.106 21.172 ( -2.968 0.000 5.925) 6.626 21.311 ( 11.727 0.000 -14.096) 18.336 21.329 ( 2.587 0.000 -1.009) 2.776 21.503 ( -2.487 0.000 2.475) 3.508 21.873 ( -6.169 0.000 -2.629) 6.706 21.983 ( 2.118 0.000 -8.521) 8.780 22.052 ( 4.877 0.000 -7.532) 8.973 22.413 ( -3.536 0.000 7.125) 7.954 22.436 ( -0.298 0.000 9.705) 9.710 22.546 ( -0.490 0.000 1.889) 1.952 22.578 ( -0.838 0.000 0.355) 0.910 22.860 ( 0.146 0.000 2.855) 2.858 22.949 ( -6.081 0.000 7.626) 9.754 22.995 ( 0.186 0.000 0.597) 0.625 23.025 ( -0.956 0.000 3.344) 3.478 23.033 ( -0.698 0.000 -0.706) 0.993 23.096 ( -3.216 0.000 1.857) 3.714 23.147 ( -0.919 0.000 3.309) 3.434 23.674 ( -9.265 0.000 -10.582) 14.065 ======================= Grid point 29 (13/30) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 20.209 0.000 4.618) 20.730 1.263 ( 21.599 0.000 8.002) 23.034 1.563 ( 4.425 0.000 -1.124) 4.566 1.588 ( 0.466 0.000 -9.345) 9.356 1.666 ( 4.854 0.000 -0.763) 4.914 1.730 ( 3.313 0.000 -8.482) 9.106 1.880 ( 5.775 0.000 -4.053) 7.055 1.910 ( -0.607 0.000 -0.760) 0.973 1.915 ( 15.232 0.000 3.736) 15.683 2.020 ( -3.921 0.000 -1.370) 4.154 2.093 ( 7.171 0.000 6.076) 9.399 2.109 ( 7.271 0.000 4.887) 8.761 2.231 ( 9.257 0.000 0.387) 9.265 2.291 ( 6.533 0.000 3.447) 7.387 2.415 ( 1.440 0.000 -0.261) 1.464 2.544 ( 3.513 0.000 -3.845) 5.209 2.631 ( -3.260 0.000 -3.372) 4.690 2.662 ( 1.692 0.000 -4.668) 4.965 2.673 ( 3.639 0.000 -1.731) 4.030 2.680 ( 6.925 0.000 -3.959) 7.976 2.855 ( -8.584 0.000 4.571) 9.725 2.855 ( -1.715 0.000 4.138) 4.479 2.939 ( -4.820 0.000 -0.648) 4.864 2.983 ( 0.986 0.000 5.001) 5.097 3.007 ( 2.466 0.000 5.864) 6.361 3.030 ( 1.306 0.000 2.384) 2.718 3.137 ( -0.612 0.000 6.557) 6.585 3.212 ( -1.302 0.000 4.983) 5.150 3.251 ( 9.050 0.000 3.751) 9.797 3.362 ( 6.383 0.000 2.528) 6.865 3.374 ( 11.132 0.000 -0.395) 11.139 3.398 ( 3.076 0.000 3.728) 4.833 3.462 ( 5.228 0.000 1.113) 5.345 3.498 ( -2.939 0.000 -0.551) 2.991 3.504 ( -1.420 0.000 0.523) 1.513 3.534 ( -3.419 0.000 -1.369) 3.683 3.616 ( 4.635 0.000 1.846) 4.989 3.664 ( 9.865 0.000 -1.646) 10.001 3.774 ( -1.073 0.000 -2.936) 3.126 3.826 ( 4.998 0.000 -3.655) 6.192 3.895 ( -3.618 0.000 -0.104) 3.620 3.946 ( 0.931 0.000 -1.224) 1.538 3.977 ( -2.269 0.000 -6.718) 7.091 4.086 ( -3.336 0.000 -9.112) 9.704 4.256 ( -3.936 0.000 -2.164) 4.492 4.310 ( 1.543 0.000 -1.516) 2.164 4.366 ( 1.079 0.000 -1.393) 1.762 4.417 ( -4.206 0.000 -1.175) 4.367 4.557 ( -3.641 0.000 -1.830) 4.075 4.582 ( -0.711 0.000 -6.040) 6.082 4.703 ( -7.548 0.000 0.386) 7.558 4.707 ( 0.654 0.000 2.037) 2.140 4.800 ( 2.057 0.000 4.451) 4.903 4.803 ( -5.097 0.000 3.080) 5.956 4.971 ( -3.350 0.000 3.052) 4.532 4.989 ( -1.623 0.000 0.059) 1.624 5.133 ( 1.673 0.000 -1.201) 2.060 5.231 ( 4.423 0.000 -2.504) 5.083 5.264 ( 2.300 0.000 1.338) 2.661 5.363 ( 0.152 0.000 -0.404) 0.431 5.434 ( -0.945 0.000 8.647) 8.698 5.534 ( -0.472 0.000 -1.440) 1.515 5.572 ( -6.309 0.000 4.992) 8.046 5.646 ( -3.294 0.000 3.278) 4.647 5.662 ( 0.786 0.000 -0.697) 1.050 5.740 ( 3.015 0.000 2.455) 3.888 5.836 ( -7.310 0.000 -5.435) 9.109 5.843 ( 5.870 0.000 0.099) 5.870 5.871 ( 1.124 0.000 3.073) 3.272 5.961 ( 2.863 0.000 -3.891) 4.831 6.019 ( -4.048 0.000 0.584) 4.090 6.094 ( -11.431 0.000 -1.456) 11.524 6.099 ( -4.291 0.000 4.454) 6.185 6.141 ( 3.222 0.000 -0.177) 3.227 6.209 ( -4.597 0.000 -8.331) 9.515 6.276 ( -3.669 0.000 5.058) 6.249 6.285 ( -7.891 0.000 -0.198) 7.893 6.390 ( -0.485 0.000 1.336) 1.421 6.395 ( 0.002 0.000 -0.740) 0.740 6.510 ( -1.055 0.000 0.590) 1.209 6.771 ( 6.566 0.000 1.116) 6.660 7.120 ( 3.255 0.000 4.247) 5.351 7.181 ( 3.073 0.000 -1.667) 3.496 7.204 ( 0.722 0.000 1.960) 2.089 7.328 ( -0.962 0.000 1.282) 1.603 7.336 ( 5.461 0.000 -6.307) 8.343 7.418 ( -0.103 0.000 -4.541) 4.542 7.545 ( 5.461 0.000 -1.860) 5.769 7.832 ( 0.544 0.000 -3.149) 3.196 8.026 ( 3.856 0.000 0.392) 3.876 8.115 ( 1.623 0.000 9.471) 9.609 8.154 ( 3.212 0.000 -5.427) 6.306 8.290 ( 1.383 0.000 -3.694) 3.944 8.334 ( -1.660 0.000 1.434) 2.194 8.507 ( 3.696 0.000 4.012) 5.455 8.526 ( 1.160 0.000 8.053) 8.136 8.597 ( 1.074 0.000 1.305) 1.690 8.659 ( -4.765 0.000 -0.933) 4.855 8.793 ( -6.941 0.000 -5.903) 9.112 8.893 ( -4.575 0.000 -2.245) 5.096 9.293 ( 1.370 0.000 -0.011) 1.370 9.324 ( -8.342 0.000 1.089) 8.413 9.540 ( -11.366 0.000 3.627) 11.931 9.625 ( 8.185 0.000 2.566) 8.577 9.633 ( 2.299 0.000 3.232) 3.966 9.636 ( -1.027 0.000 4.691) 4.803 9.942 ( 8.426 0.000 -0.221) 8.429 9.977 ( 14.264 0.000 -1.831) 14.381 10.076 ( 6.791 0.000 -4.558) 8.179 10.094 ( 7.762 0.000 -1.514) 7.908 10.205 ( -4.227 0.000 -3.712) 5.625 10.303 ( -5.262 0.000 -2.648) 5.891 10.540 ( -4.815 0.000 3.262) 5.816 10.652 ( 4.783 0.000 -0.619) 4.823 10.684 ( -9.853 0.000 1.048) 9.909 10.721 ( 1.752 0.000 1.114) 2.077 10.765 ( -2.320 0.000 -1.617) 2.828 10.815 ( -2.356 0.000 7.850) 8.195 11.057 ( 4.459 0.000 2.118) 4.936 11.388 ( 6.546 0.000 10.729) 12.569 11.462 ( 6.751 0.000 -10.204) 12.235 11.491 ( 4.918 0.000 4.632) 6.756 11.513 ( 10.928 0.000 6.947) 12.949 11.609 ( 7.051 0.000 -3.026) 7.673 11.874 ( -0.850 0.000 0.592) 1.036 11.960 ( -4.518 0.000 -1.446) 4.744 12.068 ( -10.228 0.000 -6.480) 12.108 12.169 ( 3.738 0.000 -3.899) 5.401 12.257 ( 0.254 0.000 -6.341) 6.346 12.441 ( -2.448 0.000 -2.386) 3.419 12.461 ( -2.579 0.000 5.841) 6.385 12.691 ( -3.946 0.000 -3.139) 5.042 12.729 ( -4.498 0.000 -1.493) 4.739 12.777 ( 4.562 0.000 0.838) 4.639 12.903 ( 5.949 0.000 -3.919) 7.124 12.923 ( 7.686 0.000 -3.705) 8.533 13.100 ( 6.304 0.000 2.585) 6.813 13.256 ( 12.198 0.000 0.358) 12.203 13.266 ( 23.738 0.000 3.718) 24.027 13.456 ( 7.029 0.000 4.919) 8.579 13.475 ( 5.988 0.000 3.765) 7.073 13.523 ( 3.215 0.000 -0.286) 3.227 13.610 ( 4.602 0.000 -3.330) 5.681 13.812 ( 14.454 0.000 -8.553) 16.795 13.879 ( 12.774 0.000 7.352) 14.739 13.913 ( -0.228 0.000 -1.864) 1.878 13.922 ( 10.072 0.000 -6.016) 11.732 14.486 ( 11.835 0.000 -13.704) 18.107 14.752 ( 1.510 0.000 2.621) 3.025 14.958 ( -4.716 0.000 -2.051) 5.143 14.972 ( -6.001 0.000 4.981) 7.799 15.130 ( -8.025 0.000 -1.385) 8.144 15.203 ( -4.544 0.000 1.394) 4.753 15.255 ( -0.836 0.000 0.977) 1.286 15.803 ( -8.491 0.000 -0.119) 8.491 15.989 ( -19.459 0.000 -4.116) 19.889 16.740 ( -15.946 0.000 2.606) 16.157 16.834 ( -15.180 0.000 1.722) 15.277 16.841 ( -12.600 0.000 1.009) 12.640 16.853 ( -11.487 0.000 0.844) 11.518 19.728 ( -1.598 0.000 4.029) 4.334 19.779 ( -3.417 0.000 1.245) 3.637 19.951 ( 1.077 0.000 -2.736) 2.940 19.977 ( -0.207 0.000 8.139) 8.141 20.113 ( 1.692 0.000 -0.746) 1.849 20.181 ( -8.696 0.000 3.886) 9.525 20.232 ( 0.781 0.000 -5.269) 5.326 20.447 ( 5.562 0.000 1.784) 5.841 20.520 ( 2.557 0.000 -8.776) 9.141 20.773 ( -2.229 0.000 -2.367) 3.252 20.871 ( -11.435 0.000 3.310) 11.904 20.997 ( -6.392 0.000 -1.940) 6.680 21.095 ( 9.230 0.000 1.799) 9.404 21.298 ( 7.910 0.000 2.591) 8.324 21.338 ( -1.772 0.000 2.669) 3.204 21.402 ( 2.941 0.000 -5.853) 6.550 21.463 ( 0.151 0.000 6.149) 6.151 21.759 ( -4.165 0.000 2.209) 4.714 22.096 ( 6.800 0.000 -12.252) 14.013 22.176 ( 5.630 0.000 -9.065) 10.671 22.396 ( 0.981 0.000 3.676) 3.805 22.439 ( -0.062 0.000 4.989) 4.990 22.535 ( -0.533 0.000 -0.072) 0.538 22.539 ( -1.748 0.000 -0.902) 1.967 22.871 ( 1.138 0.000 2.940) 3.152 22.882 ( -0.924 0.000 5.689) 5.764 22.991 ( -2.453 0.000 1.132) 2.701 22.996 ( -0.132 0.000 0.971) 0.980 23.041 ( 0.713 0.000 0.236) 0.751 23.052 ( -1.243 0.000 0.325) 1.285 23.121 ( -1.489 0.000 1.648) 2.221 23.404 ( -14.154 0.000 -5.816) 15.303 ======================= Grid point 30 (14/30) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 16.516 0.000 -0.097) 16.516 1.577 ( 1.960 0.000 -1.075) 2.236 1.609 ( 0.771 0.000 2.539) 2.653 1.644 ( 7.153 0.000 -3.202) 7.837 1.709 ( 0.804 0.000 -0.412) 0.903 1.776 ( 2.789 0.000 2.067) 3.471 1.841 ( -2.073 0.000 -0.874) 2.250 1.988 ( -0.341 0.000 1.579) 1.615 2.023 ( 6.949 0.000 -3.427) 7.748 2.140 ( 6.152 0.000 -5.528) 8.271 2.186 ( 1.978 0.000 3.279) 3.829 2.236 ( 4.761 0.000 4.322) 6.431 2.398 ( 5.432 0.000 -3.292) 6.352 2.425 ( 5.320 0.000 0.992) 5.411 2.457 ( 0.294 0.000 -2.958) 2.972 2.578 ( -0.543 0.000 -1.017) 1.153 2.635 ( 5.051 0.000 -2.058) 5.454 2.642 ( 0.023 0.000 -0.613) 0.614 2.703 ( -4.290 0.000 2.737) 5.089 2.758 ( 4.614 0.000 -0.071) 4.614 2.780 ( -2.363 0.000 -2.083) 3.150 2.853 ( 3.243 0.000 -3.094) 4.483 2.929 ( 3.015 0.000 0.276) 3.028 2.970 ( -1.390 0.000 -2.125) 2.539 3.007 ( -2.358 0.000 4.735) 5.289 3.061 ( 0.339 0.000 7.972) 7.979 3.142 ( -0.836 0.000 5.441) 5.505 3.251 ( 5.463 0.000 7.976) 9.667 3.306 ( -1.548 0.000 2.970) 3.349 3.355 ( -6.943 0.000 -0.020) 6.943 3.377 ( -6.240 0.000 0.790) 6.290 3.426 ( -1.765 0.000 3.095) 3.563 3.491 ( 0.830 0.000 -0.122) 0.839 3.538 ( -0.436 0.000 -1.599) 1.657 3.595 ( 6.365 0.000 0.419) 6.379 3.674 ( 8.378 0.000 1.051) 8.444 3.706 ( 9.420 0.000 2.294) 9.696 3.757 ( 3.797 0.000 -3.229) 4.984 3.805 ( -4.748 0.000 -3.008) 5.621 3.883 ( 10.543 0.000 -2.598) 10.858 3.943 ( 0.582 0.000 -8.394) 8.414 3.984 ( 6.040 0.000 -2.237) 6.441 4.051 ( 7.253 0.000 2.229) 7.588 4.074 ( 0.940 0.000 -3.924) 4.035 4.217 ( 2.779 0.000 6.187) 6.783 4.349 ( 3.935 0.000 0.227) 3.942 4.367 ( -0.985 0.000 0.389) 1.059 4.393 ( 0.773 0.000 -2.712) 2.820 4.485 ( -5.735 0.000 4.125) 7.065 4.540 ( -0.540 0.000 1.684) 1.768 4.560 ( -1.533 0.000 3.789) 4.087 4.682 ( -5.268 0.000 2.754) 5.944 4.840 ( 0.189 0.000 1.678) 1.689 4.854 ( 9.138 0.000 -6.478) 11.202 4.917 ( -0.965 0.000 1.669) 1.928 4.941 ( -3.222 0.000 -1.051) 3.389 5.131 ( -0.806 0.000 -2.316) 2.452 5.281 ( -2.674 0.000 5.205) 5.852 5.352 ( -0.570 0.000 -4.715) 4.749 5.375 ( 5.910 0.000 0.221) 5.914 5.377 ( -1.698 0.000 1.663) 2.377 5.506 ( -1.159 0.000 6.744) 6.843 5.509 ( -2.078 0.000 -0.297) 2.099 5.533 ( -5.245 0.000 0.645) 5.285 5.655 ( -2.637 0.000 -0.894) 2.785 5.720 ( -3.185 0.000 -1.726) 3.623 5.805 ( 1.817 0.000 -0.109) 1.820 5.877 ( -6.909 0.000 -0.361) 6.919 5.877 ( -2.573 0.000 -0.136) 2.577 5.892 ( -2.584 0.000 1.648) 3.065 5.935 ( 3.277 0.000 1.170) 3.479 5.958 ( -2.346 0.000 -1.428) 2.747 6.035 ( -3.878 0.000 3.013) 4.911 6.074 ( -8.275 0.000 0.968) 8.332 6.094 ( -7.881 0.000 -0.997) 7.944 6.152 ( -1.562 0.000 -4.349) 4.621 6.314 ( 4.648 0.000 2.275) 5.175 6.377 ( -0.397 0.000 -0.405) 0.567 6.430 ( 1.732 0.000 -4.808) 5.110 6.474 ( -1.859 0.000 0.730) 1.997 6.916 ( 6.641 0.000 -1.198) 6.749 7.170 ( 0.549 0.000 0.464) 0.719 7.180 ( -1.756 0.000 1.659) 2.416 7.214 ( -0.572 0.000 -3.127) 3.179 7.295 ( -1.022 0.000 2.419) 2.626 7.391 ( -2.130 0.000 -0.294) 2.150 7.449 ( 5.322 0.000 -8.799) 10.283 7.644 ( 2.867 0.000 -5.865) 6.529 7.889 ( 5.213 0.000 0.871) 5.286 8.097 ( 2.694 0.000 -1.453) 3.061 8.144 ( 0.804 0.000 10.321) 10.352 8.209 ( -0.423 0.000 -3.548) 3.573 8.300 ( 1.920 0.000 0.418) 1.965 8.315 ( 1.136 0.000 -4.493) 4.634 8.507 ( -1.403 0.000 6.225) 6.381 8.566 ( -1.898 0.000 6.250) 6.532 8.598 ( 0.921 0.000 0.010) 0.921 8.644 ( -3.117 0.000 -5.511) 6.331 8.705 ( 3.130 0.000 3.878) 4.984 8.795 ( -4.582 0.000 0.726) 4.639 9.150 ( -7.400 0.000 6.081) 9.578 9.228 ( -14.317 0.000 6.988) 15.932 9.325 ( 2.229 0.000 -0.797) 2.367 9.604 ( -2.085 0.000 -0.528) 2.150 9.686 ( 2.932 0.000 0.216) 2.940 9.807 ( 7.604 0.000 -0.588) 7.627 10.075 ( -2.758 0.000 -5.783) 6.407 10.091 ( 1.496 0.000 1.446) 2.081 10.095 ( -6.449 0.000 -3.506) 7.341 10.188 ( 5.227 0.000 0.016) 5.227 10.223 ( 5.512 0.000 -2.140) 5.913 10.375 ( 12.192 0.000 -0.696) 12.212 10.459 ( -4.998 0.000 2.862) 5.759 10.525 ( -5.090 0.000 2.950) 5.883 10.554 ( -6.029 0.000 -2.093) 6.382 10.688 ( -1.785 0.000 -3.008) 3.498 10.860 ( 5.955 0.000 4.524) 7.478 11.046 ( 15.396 0.000 -0.588) 15.407 11.091 ( -0.045 0.000 1.694) 1.694 11.377 ( -10.740 0.000 -6.761) 12.691 11.417 ( -3.320 0.000 4.981) 5.986 11.608 ( 8.166 0.000 5.014) 9.582 11.750 ( 5.476 0.000 -3.382) 6.436 11.757 ( 8.428 0.000 4.757) 9.678 11.847 ( -0.462 0.000 -1.956) 2.010 11.867 ( -8.036 0.000 -0.490) 8.051 11.996 ( 5.616 0.000 -2.100) 5.995 12.238 ( 2.424 0.000 -0.129) 2.427 12.266 ( 0.253 0.000 -4.502) 4.509 12.398 ( -1.313 0.000 -1.182) 1.767 12.400 ( -3.485 0.000 1.972) 4.004 12.600 ( -4.737 0.000 -3.418) 5.841 12.670 ( -0.356 0.000 -1.665) 1.702 12.818 ( 1.614 0.000 -3.763) 4.095 12.949 ( -1.625 0.000 -1.397) 2.143 12.978 ( -0.580 0.000 -2.044) 2.124 13.309 ( 8.764 0.000 4.507) 9.855 13.456 ( 5.932 0.000 1.139) 6.041 13.532 ( 5.696 0.000 4.147) 7.046 13.584 ( 7.846 0.000 1.996) 8.096 13.605 ( 2.745 0.000 4.152) 4.978 13.710 ( 2.865 0.000 -0.464) 2.902 13.857 ( -3.893 0.000 -1.585) 4.203 13.892 ( 0.362 0.000 -3.618) 3.636 14.003 ( 37.402 0.000 2.184) 37.465 14.337 ( 30.567 0.000 5.545) 31.066 14.408 ( 21.401 0.000 -10.913) 24.023 14.680 ( 12.080 0.000 0.583) 12.094 14.832 ( 3.950 0.000 -0.187) 3.955 14.887 ( -0.570 0.000 -0.353) 0.670 14.905 ( 0.382 0.000 3.853) 3.871 15.000 ( -2.923 0.000 0.346) 2.944 15.126 ( -3.473 0.000 -0.256) 3.483 15.312 ( 6.410 0.000 -4.854) 8.040 15.577 ( -19.056 0.000 -1.710) 19.132 15.622 ( -6.373 0.000 -4.638) 7.882 16.318 ( -24.360 0.000 3.283) 24.581 16.429 ( -23.637 0.000 2.202) 23.739 16.498 ( -19.927 0.000 -0.986) 19.952 16.562 ( -16.555 0.000 -1.032) 16.587 19.716 ( 0.126 0.000 3.714) 3.716 19.743 ( 0.557 0.000 4.966) 4.997 19.954 ( -3.777 0.000 8.417) 9.225 19.990 ( 2.575 0.000 -3.533) 4.372 20.004 ( -6.541 0.000 4.756) 8.087 20.141 ( 0.413 0.000 0.284) 0.501 20.276 ( 3.197 0.000 -7.217) 7.894 20.547 ( 2.851 0.000 -0.393) 2.878 20.550 ( -1.068 0.000 -9.582) 9.641 20.664 ( -6.455 0.000 3.489) 7.338 20.727 ( -0.478 0.000 -2.845) 2.885 20.891 ( -3.270 0.000 -3.586) 4.853 21.151 ( -2.486 0.000 1.173) 2.748 21.264 ( -5.030 0.000 4.883) 7.010 21.305 ( -1.118 0.000 -1.738) 2.067 21.509 ( -0.493 0.000 -5.389) 5.412 21.582 ( 10.107 0.000 7.693) 12.702 21.772 ( 7.592 0.000 7.896) 10.954 22.190 ( -5.289 0.000 -2.774) 5.972 22.193 ( 1.468 0.000 -8.785) 8.907 22.432 ( 2.148 0.000 1.122) 2.423 22.462 ( 3.581 0.000 -2.288) 4.249 22.520 ( -0.944 0.000 -1.471) 1.748 22.543 ( 1.293 0.000 -0.904) 1.578 22.887 ( 1.090 0.000 2.418) 2.653 22.909 ( 2.349 0.000 1.783) 2.949 22.960 ( -0.400 0.000 0.875) 0.962 22.991 ( -0.262 0.000 1.120) 1.151 23.022 ( -1.649 0.000 0.643) 1.770 23.028 ( -2.511 0.000 0.545) 2.569 23.084 ( -2.002 0.000 0.055) 2.003 23.156 ( -7.968 0.000 -2.451) 8.336 ======================= Grid point 31 (15/30) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 1.683 0.000 2.765) 3.237 1.607 ( 1.352 0.000 2.001) 2.415 1.651 ( -1.908 0.000 1.899) 2.692 1.671 ( -4.779 0.000 3.230) 5.768 1.754 ( 3.706 0.000 -0.864) 3.805 1.840 ( 12.508 0.000 -2.421) 12.740 1.859 ( -4.278 0.000 1.754) 4.624 2.050 ( -5.964 0.000 -3.433) 6.881 2.080 ( 8.470 0.000 -1.035) 8.533 2.196 ( -1.717 0.000 -0.756) 1.876 2.276 ( 8.728 0.000 -6.790) 11.058 2.320 ( 3.516 0.000 3.692) 5.098 2.404 ( -4.346 0.000 -0.700) 4.402 2.439 ( -3.494 0.000 -6.688) 7.545 2.498 ( 1.344 0.000 -2.437) 2.783 2.511 ( -2.397 0.000 -1.931) 3.078 2.703 ( 3.665 0.000 0.071) 3.666 2.735 ( 6.588 0.000 0.739) 6.629 2.746 ( 2.223 0.000 -4.455) 4.979 2.772 ( 2.164 0.000 1.372) 2.562 2.855 ( -1.920 0.000 2.201) 2.920 2.884 ( 5.958 0.000 0.655) 5.994 2.899 ( -4.652 0.000 0.062) 4.652 2.929 ( -1.824 0.000 0.481) 1.887 3.057 ( 0.919 0.000 6.480) 6.545 3.059 ( 2.956 0.000 0.145) 2.960 3.094 ( -2.473 0.000 1.578) 2.933 3.186 ( -8.384 0.000 -1.666) 8.548 3.243 ( 1.212 0.000 0.793) 1.448 3.285 ( -0.303 0.000 -0.207) 0.366 3.327 ( -3.344 0.000 1.484) 3.658 3.330 ( -4.244 0.000 1.097) 4.384 3.556 ( 1.401 0.000 2.952) 3.268 3.562 ( 4.688 0.000 0.633) 4.730 3.593 ( -2.267 0.000 3.047) 3.798 3.683 ( -6.302 0.000 -2.276) 6.701 3.770 ( 5.061 0.000 4.002) 6.452 3.852 ( -0.481 0.000 6.473) 6.490 3.900 ( 5.225 0.000 -2.671) 5.869 3.982 ( -0.923 0.000 -0.820) 1.235 4.043 ( 2.981 0.000 -3.494) 4.593 4.096 ( 1.776 0.000 -1.917) 2.613 4.098 ( 7.783 0.000 -2.266) 8.106 4.160 ( 2.021 0.000 -0.200) 2.030 4.340 ( 5.199 0.000 8.440) 9.913 4.374 ( 0.907 0.000 4.226) 4.322 4.380 ( 1.286 0.000 -0.517) 1.386 4.422 ( -0.386 0.000 -0.477) 0.613 4.510 ( 6.702 0.000 3.686) 7.649 4.541 ( -0.190 0.000 1.658) 1.669 4.580 ( 2.390 0.000 3.367) 4.129 4.582 ( -3.900 0.000 2.922) 4.873 4.803 ( -2.920 0.000 0.165) 2.925 4.833 ( -6.437 0.000 -0.114) 6.438 4.954 ( 4.514 0.000 -0.667) 4.563 5.020 ( 4.186 0.000 -5.358) 6.800 5.131 ( -1.564 0.000 0.235) 1.581 5.173 ( -2.474 0.000 1.108) 2.711 5.299 ( 1.373 0.000 -1.903) 2.347 5.406 ( 1.673 0.000 1.729) 2.406 5.416 ( -6.731 0.000 -2.287) 7.109 5.444 ( -2.991 0.000 1.042) 3.167 5.493 ( 2.515 0.000 -0.022) 2.515 5.506 ( 0.517 0.000 1.055) 1.175 5.617 ( 1.599 0.000 2.585) 3.040 5.695 ( 0.985 0.000 0.802) 1.270 5.741 ( -7.716 0.000 1.495) 7.859 5.754 ( -4.521 0.000 2.137) 5.001 5.862 ( 0.468 0.000 0.864) 0.982 5.884 ( -1.237 0.000 1.152) 1.690 5.907 ( -0.979 0.000 -1.282) 1.613 5.938 ( -3.365 0.000 1.530) 3.697 5.957 ( 0.852 0.000 -1.352) 1.598 5.987 ( -0.010 0.000 -0.518) 0.518 6.044 ( 1.403 0.000 -3.829) 4.078 6.102 ( -3.198 0.000 -3.897) 5.041 6.364 ( 1.312 0.000 -0.633) 1.457 6.385 ( 0.023 0.000 0.762) 0.762 6.446 ( -0.122 0.000 -2.883) 2.886 6.448 ( -0.458 0.000 -1.703) 1.764 7.040 ( 5.187 0.000 -2.772) 5.882 7.132 ( -3.503 0.000 -3.023) 4.627 7.154 ( -0.057 0.000 0.220) 0.227 7.181 ( -2.078 0.000 -2.087) 2.945 7.304 ( 1.453 0.000 4.072) 4.324 7.343 ( -2.188 0.000 2.926) 3.654 7.559 ( 5.051 0.000 -9.800) 11.025 7.644 ( -2.554 0.000 -9.208) 9.556 8.027 ( 6.750 0.000 6.040) 9.058 8.130 ( -2.637 0.000 9.387) 9.750 8.140 ( 1.512 0.000 -1.599) 2.201 8.171 ( -1.758 0.000 -1.483) 2.300 8.351 ( 2.731 0.000 -4.600) 5.350 8.390 ( 4.748 0.000 1.600) 5.010 8.441 ( -5.811 0.000 -4.130) 7.129 8.470 ( -2.621 0.000 4.164) 4.920 8.643 ( 3.307 0.000 -0.607) 3.362 8.662 ( 1.423 0.000 2.962) 3.286 8.712 ( -2.269 0.000 0.574) 2.340 8.715 ( -3.316 0.000 3.270) 4.657 9.015 ( -3.792 0.000 9.473) 10.203 9.034 ( -4.231 0.000 8.721) 9.693 9.399 ( 4.907 0.000 -0.318) 4.917 9.519 ( -5.837 0.000 -0.452) 5.855 9.778 ( 5.971 0.000 -0.302) 5.979 9.926 ( 4.569 0.000 -5.157) 6.890 9.929 ( -8.096 0.000 -1.201) 8.185 10.015 ( -3.332 0.000 -10.064) 10.601 10.161 ( 6.176 0.000 3.441) 7.069 10.303 ( -1.348 0.000 3.714) 3.951 10.329 ( 4.839 0.000 -2.347) 5.379 10.344 ( 0.141 0.000 2.883) 2.887 10.434 ( -5.290 0.000 -1.797) 5.587 10.437 ( -4.047 0.000 3.774) 5.534 10.588 ( 6.926 0.000 -3.332) 7.685 10.666 ( -1.286 0.000 -3.672) 3.891 10.991 ( 6.113 0.000 0.936) 6.184 11.097 ( 1.694 0.000 -0.310) 1.722 11.149 ( -9.568 0.000 -2.091) 9.794 11.171 ( -3.731 0.000 -3.908) 5.403 11.466 ( 9.530 0.000 6.460) 11.513 11.655 ( -6.633 0.000 3.616) 7.555 11.809 ( 3.821 0.000 3.341) 5.075 11.824 ( 2.999 0.000 -3.412) 4.543 11.854 ( 0.850 0.000 3.516) 3.617 11.866 ( -0.087 0.000 -0.976) 0.980 12.119 ( 5.846 0.000 -4.704) 7.504 12.226 ( -3.691 0.000 -5.795) 6.870 12.289 ( 1.789 0.000 2.589) 3.147 12.331 ( -2.486 0.000 0.824) 2.619 12.406 ( 2.416 0.000 -1.320) 2.753 12.492 ( -5.219 0.000 -2.279) 5.695 12.724 ( 5.165 0.000 -0.653) 5.206 12.855 ( -6.368 0.000 -0.196) 6.371 12.870 ( 3.180 0.000 -3.924) 5.051 12.938 ( -2.904 0.000 -1.764) 3.398 13.482 ( 8.632 0.000 2.319) 8.938 13.555 ( 4.067 0.000 0.451) 4.092 13.617 ( -1.458 0.000 2.357) 2.772 13.631 ( 0.637 0.000 1.259) 1.411 13.689 ( -2.676 0.000 2.910) 3.954 13.749 ( 6.849 0.000 0.606) 6.876 13.749 ( -4.059 0.000 0.911) 4.160 13.859 ( -3.545 0.000 -1.499) 3.849 14.637 ( 6.581 0.000 0.415) 6.594 14.756 ( 25.113 0.000 -3.465) 25.351 14.762 ( -4.784 0.000 0.898) 4.867 14.896 ( 6.812 0.000 -3.672) 7.739 14.973 ( 7.386 0.000 0.374) 7.395 15.006 ( 8.870 0.000 3.382) 9.493 15.084 ( 3.225 0.000 0.999) 3.376 15.100 ( 8.184 0.000 -0.710) 8.215 15.132 ( 25.492 0.000 5.804) 26.144 15.229 ( -8.778 0.000 1.969) 8.996 15.472 ( 18.173 0.000 -4.690) 18.768 15.723 ( -31.739 0.000 4.624) 32.074 15.748 ( 16.762 0.000 -8.726) 18.898 15.846 ( -31.550 0.000 3.874) 31.787 16.012 ( -25.587 0.000 -2.822) 25.742 16.170 ( -20.263 0.000 -4.246) 20.703 19.741 ( 2.571 0.000 4.673) 5.333 19.794 ( 3.429 0.000 6.400) 7.261 19.832 ( -5.006 0.000 6.189) 7.960 19.900 ( -5.134 0.000 6.739) 8.472 20.054 ( 3.378 0.000 -3.310) 4.729 20.119 ( -2.413 0.000 -1.555) 2.871 20.360 ( 4.771 0.000 -7.703) 9.061 20.469 ( -5.322 0.000 -7.676) 9.340 20.568 ( 1.024 0.000 0.924) 1.379 20.603 ( -1.648 0.000 2.169) 2.724 20.774 ( 3.859 0.000 -5.790) 6.958 20.845 ( -2.277 0.000 -4.929) 5.430 21.100 ( -0.501 0.000 4.014) 4.045 21.153 ( -4.794 0.000 5.357) 7.189 21.327 ( 3.320 0.000 -2.619) 4.229 21.425 ( -5.357 0.000 -3.538) 6.420 21.809 ( 10.784 0.000 5.395) 12.059 21.977 ( 9.763 0.000 3.613) 10.410 22.023 ( -9.499 0.000 2.300) 9.773 22.145 ( -5.724 0.000 -2.132) 6.108 22.472 ( 1.554 0.000 -0.898) 1.795 22.498 ( -1.063 0.000 -1.783) 2.076 22.537 ( 2.609 0.000 -2.990) 3.968 22.562 ( 0.115 0.000 -1.787) 1.791 22.912 ( 1.093 0.000 0.811) 1.361 22.947 ( -2.795 0.000 0.804) 2.909 22.953 ( 1.446 0.000 -0.293) 1.476 22.976 ( 0.874 0.000 0.646) 1.087 22.991 ( -0.184 0.000 0.698) 0.722 23.012 ( 1.738 0.000 0.614) 1.843 23.037 ( -2.511 0.000 -0.385) 2.540 23.063 ( -2.802 0.000 -1.018) 2.981 ======================= Grid point 36 (16/30) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 18.050 10.919) 21.096 0.745 ( 0.000 18.663 14.717) 23.768 1.174 ( 0.000 -20.509 -3.242) 20.764 1.218 ( 0.000 -5.023 14.473) 15.320 1.289 ( 0.000 14.486 15.380) 21.128 1.581 ( 0.000 1.896 -13.483) 13.616 1.725 ( 0.000 0.776 -6.639) 6.684 1.756 ( 0.000 4.250 -11.348) 12.118 1.831 ( 0.000 -0.682 -5.428) 5.470 1.906 ( 0.000 -12.331 11.575) 16.913 1.989 ( 0.000 7.517 2.046) 7.791 2.109 ( 0.000 8.352 -1.884) 8.561 2.190 ( 0.000 -4.868 -3.696) 6.112 2.245 ( 0.000 -1.572 -3.976) 4.276 2.335 ( 0.000 3.124 1.992) 3.705 2.407 ( 0.000 -7.760 2.367) 8.113 2.417 ( 0.000 -2.955 -4.553) 5.428 2.486 ( 0.000 -7.078 4.439) 8.354 2.655 ( 0.000 0.840 -9.763) 9.799 2.675 ( 0.000 -2.611 -2.736) 3.782 2.735 ( 0.000 -0.229 1.964) 1.978 2.762 ( 0.000 -2.196 -0.337) 2.222 2.919 ( 0.000 3.953 7.869) 8.806 3.024 ( 0.000 0.975 5.636) 5.720 3.031 ( 0.000 1.182 -6.359) 6.468 3.037 ( 0.000 -5.023 7.231) 8.804 3.124 ( 0.000 -1.651 0.725) 1.803 3.132 ( 0.000 -2.380 11.813) 12.051 3.197 ( 0.000 1.806 1.301) 2.226 3.245 ( 0.000 -1.301 2.111) 2.480 3.285 ( 0.000 0.917 4.875) 4.960 3.293 ( 0.000 -1.378 5.577) 5.744 3.396 ( 0.000 -0.246 4.472) 4.479 3.412 ( 0.000 -1.542 1.920) 2.462 3.526 ( 0.000 1.906 -4.844) 5.205 3.546 ( 0.000 0.614 -6.724) 6.752 3.612 ( 0.000 1.970 -2.286) 3.017 3.657 ( 0.000 -1.866 -3.114) 3.630 3.685 ( 0.000 8.041 1.134) 8.120 3.869 ( 0.000 -7.283 -1.796) 7.501 3.906 ( 0.000 13.906 -6.578) 15.384 4.081 ( 0.000 0.149 -12.335) 12.336 4.096 ( 0.000 0.111 -13.389) 13.389 4.136 ( 0.000 -4.546 -8.533) 9.669 4.307 ( 0.000 4.766 1.646) 5.042 4.390 ( 0.000 -2.410 4.254) 4.889 4.503 ( 0.000 7.321 8.031) 10.867 4.507 ( 0.000 4.615 -1.362) 4.812 4.650 ( 0.000 -7.135 -2.523) 7.568 4.670 ( 0.000 3.069 1.739) 3.527 4.691 ( 0.000 -7.382 6.331) 9.725 4.770 ( 0.000 -0.965 -2.731) 2.896 4.842 ( 0.000 2.021 -0.711) 2.142 4.860 ( 0.000 1.340 -3.442) 3.694 4.933 ( 0.000 -4.909 2.141) 5.356 4.987 ( 0.000 -7.404 -1.255) 7.510 5.090 ( 0.000 1.294 1.681) 2.121 5.142 ( 0.000 -1.853 4.241) 4.628 5.306 ( 0.000 2.052 -1.640) 2.627 5.318 ( 0.000 2.254 -4.911) 5.403 5.488 ( 0.000 3.460 5.947) 6.880 5.544 ( 0.000 0.573 6.633) 6.657 5.594 ( 0.000 0.944 5.641) 5.719 5.630 ( 0.000 -2.767 4.940) 5.662 5.712 ( 0.000 1.689 1.598) 2.325 5.729 ( 0.000 2.656 1.235) 2.929 5.756 ( 0.000 1.630 1.597) 2.283 5.792 ( 0.000 -1.343 3.449) 3.701 5.940 ( 0.000 1.056 -0.905) 1.391 5.959 ( 0.000 -1.269 -5.700) 5.839 6.001 ( 0.000 0.514 -1.607) 1.687 6.059 ( 0.000 -2.746 -1.441) 3.101 6.311 ( 0.000 2.740 -1.987) 3.384 6.336 ( 0.000 -1.198 1.868) 2.219 6.349 ( 0.000 -0.600 0.843) 1.035 6.367 ( 0.000 0.150 -3.862) 3.865 6.380 ( 0.000 0.340 4.239) 4.252 6.398 ( 0.000 -1.076 1.649) 1.969 6.519 ( 0.000 -0.194 -3.168) 3.174 6.541 ( 0.000 -3.174 -1.090) 3.356 6.746 ( 0.000 3.762 4.997) 6.255 6.898 ( 0.000 -9.077 4.254) 10.024 7.085 ( 0.000 -0.280 0.715) 0.768 7.105 ( 0.000 -2.012 -4.531) 4.957 7.195 ( 0.000 3.861 3.856) 5.456 7.249 ( 0.000 -0.973 0.464) 1.078 7.342 ( 0.000 7.611 5.589) 9.442 7.474 ( 0.000 -3.165 2.741) 4.187 7.873 ( 0.000 3.190 -2.796) 4.242 7.989 ( 0.000 -6.339 -2.287) 6.739 8.031 ( 0.000 7.731 1.050) 7.802 8.233 ( 0.000 -8.441 1.881) 8.648 8.280 ( 0.000 2.582 0.595) 2.650 8.317 ( 0.000 -0.400 -0.925) 1.008 8.382 ( 0.000 2.825 0.491) 2.867 8.423 ( 0.000 1.911 -6.110) 6.402 8.665 ( 0.000 -1.275 0.456) 1.354 8.776 ( 0.000 -7.299 -11.811) 13.884 9.046 ( 0.000 3.730 -15.240) 15.690 9.108 ( 0.000 -1.697 -9.938) 10.082 9.214 ( 0.000 1.778 4.108) 4.476 9.228 ( 0.000 0.560 3.944) 3.984 9.379 ( 0.000 2.029 -3.078) 3.686 9.390 ( 0.000 2.591 -7.902) 8.316 9.721 ( 0.000 -1.858 5.407) 5.717 9.733 ( 0.000 -0.655 2.998) 3.069 9.757 ( 0.000 11.535 4.671) 12.445 9.938 ( 0.000 -1.612 7.946) 8.107 9.951 ( 0.000 17.514 -5.020) 18.219 10.229 ( 0.000 -8.274 -5.587) 9.983 10.374 ( 0.000 -1.289 -8.580) 8.676 10.383 ( 0.000 -2.258 -11.109) 11.336 10.451 ( 0.000 2.799 -1.673) 3.261 10.522 ( 0.000 -2.996 -3.448) 4.568 10.736 ( 0.000 -1.852 -4.024) 4.429 10.772 ( 0.000 -4.534 -2.820) 5.340 10.865 ( 0.000 0.440 4.291) 4.314 10.873 ( 0.000 -0.866 1.312) 1.572 10.984 ( 0.000 3.978 -0.875) 4.074 11.061 ( 0.000 -2.492 -0.026) 2.492 11.157 ( 0.000 5.660 21.122) 21.868 11.222 ( 0.000 7.071 11.473) 13.477 11.281 ( 0.000 -4.349 16.314) 16.884 11.382 ( 0.000 -4.752 8.375) 9.629 11.913 ( 0.000 -2.494 17.227) 17.407 11.969 ( 0.000 -9.165 20.959) 22.875 12.052 ( 0.000 -2.872 0.360) 2.894 12.154 ( 0.000 -7.263 -13.357) 15.204 12.271 ( 0.000 1.725 -7.371) 7.571 12.341 ( 0.000 -3.255 -14.828) 15.181 12.521 ( 0.000 1.607 1.156) 1.980 12.546 ( 0.000 -0.257 -2.784) 2.795 12.679 ( 0.000 -0.541 -1.825) 1.904 12.684 ( 0.000 -3.138 1.671) 3.555 12.709 ( 0.000 6.100 -2.004) 6.421 12.768 ( 0.000 -0.433 2.471) 2.509 12.914 ( 0.000 0.246 -3.230) 3.239 12.920 ( 0.000 1.163 -6.720) 6.820 13.037 ( 0.000 -0.534 -1.625) 1.711 13.086 ( 0.000 -5.024 -1.258) 5.179 13.430 ( 0.000 0.760 4.473) 4.537 13.436 ( 0.000 0.628 10.403) 10.422 13.496 ( 0.000 1.464 0.594) 1.580 13.519 ( 0.000 0.275 1.243) 1.273 13.652 ( 0.000 2.658 -1.196) 2.915 13.731 ( 0.000 -1.531 -10.833) 10.941 13.892 ( 0.000 -0.129 -1.031) 1.039 13.893 ( 0.000 -0.080 -3.456) 3.457 14.798 ( 0.000 1.946 6.945) 7.213 14.891 ( 0.000 -7.199 11.182) 13.300 15.179 ( 0.000 6.644 -4.601) 8.081 15.277 ( 0.000 1.525 -4.274) 4.538 15.490 ( 0.000 6.292 7.700) 9.944 15.765 ( 0.000 -13.938 8.933) 16.555 16.369 ( 0.000 21.726 -32.430) 39.035 16.544 ( 0.000 0.475 -16.012) 16.019 17.071 ( 0.000 0.140 1.702) 1.707 17.073 ( 0.000 -0.003 2.526) 2.526 17.165 ( 0.000 0.628 3.329) 3.387 17.178 ( 0.000 -0.232 0.909) 0.938 19.831 ( 0.000 -2.219 -1.024) 2.444 19.831 ( 0.000 -2.580 3.355) 4.232 19.965 ( 0.000 0.822 0.540) 0.983 19.983 ( 0.000 -2.329 4.867) 5.396 20.118 ( 0.000 2.912 3.989) 4.939 20.197 ( 0.000 -3.622 1.435) 3.895 20.401 ( 0.000 0.333 -4.953) 4.964 20.404 ( 0.000 -0.011 -5.965) 5.965 20.620 ( 0.000 4.506 -0.988) 4.613 20.681 ( 0.000 1.663 2.257) 2.803 20.722 ( 0.000 -4.402 1.550) 4.667 20.741 ( 0.000 -3.717 1.205) 3.907 21.078 ( 0.000 9.321 0.026) 9.321 21.187 ( 0.000 -1.441 1.074) 1.797 21.262 ( 0.000 0.884 -8.939) 8.983 21.316 ( 0.000 -1.375 -5.946) 6.103 21.575 ( 0.000 4.022 1.722) 4.375 21.746 ( 0.000 -12.114 0.530) 12.126 21.986 ( 0.000 0.293 -7.053) 7.059 21.994 ( 0.000 -0.396 -6.206) 6.219 22.401 ( 0.000 -0.444 14.998) 15.004 22.428 ( 0.000 -1.508 12.811) 12.899 22.557 ( 0.000 0.430 2.640) 2.675 22.570 ( 0.000 -0.704 1.845) 1.975 22.854 ( 0.000 -0.179 3.817) 3.821 22.868 ( 0.000 -2.214 6.851) 7.200 23.013 ( 0.000 1.877 -0.795) 2.038 23.032 ( 0.000 1.857 -0.129) 1.861 23.076 ( 0.000 -0.211 2.373) 2.382 23.125 ( 0.000 -2.681 3.727) 4.591 23.616 ( 0.000 8.347 -15.271) 17.403 23.703 ( 0.000 -1.560 -10.251) 10.369 ======================= Grid point 37 (17/30) ======================= q-point: ( 0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 15.212 15.059 6.860) 22.477 0.964 ( 15.365 14.503 12.357) 24.477 1.231 ( 7.493 -16.014 -1.569) 17.749 1.342 ( 8.276 -15.259 6.390) 18.497 1.534 ( 19.009 11.887 9.352) 24.292 1.621 ( 3.619 2.348 -11.622) 12.396 1.714 ( 0.924 3.840 -6.412) 7.531 1.816 ( 3.798 3.730 -7.588) 9.269 1.882 ( 4.074 -0.989 -4.022) 5.809 1.970 ( 6.083 -9.346 8.213) 13.849 2.005 ( 2.174 4.874 1.717) 5.606 2.116 ( -0.001 4.054 -1.048) 4.187 2.164 ( 0.424 0.110 -0.926) 1.024 2.269 ( -2.648 4.582 2.091) 5.691 2.356 ( 6.542 -5.477 -3.229) 9.123 2.404 ( 0.855 -1.830 -2.874) 3.513 2.486 ( 5.450 -3.173 1.248) 6.429 2.539 ( 4.405 -5.843 0.880) 7.370 2.665 ( 0.312 1.685 -8.477) 8.648 2.697 ( -1.487 -0.425 -3.535) 3.858 2.784 ( 6.001 -2.849 4.032) 7.771 2.815 ( 4.861 -3.682 2.324) 6.526 2.971 ( 2.243 1.351 5.633) 6.212 2.977 ( 3.416 0.683 5.885) 6.839 2.995 ( -4.002 -1.307 6.741) 7.948 3.040 ( 0.860 -2.977 5.669) 6.461 3.100 ( -1.171 3.173 2.039) 3.949 3.140 ( -3.967 1.711 3.523) 5.575 3.197 ( -2.449 -2.785 3.144) 4.861 3.231 ( -4.214 -3.644 2.494) 6.104 3.317 ( 6.042 1.839 -0.760) 6.362 3.350 ( 6.715 -0.726 -0.086) 6.754 3.443 ( 6.560 0.889 4.228) 7.855 3.453 ( 3.625 0.176 2.313) 4.304 3.514 ( -1.130 2.094 -3.858) 4.533 3.541 ( -0.623 -0.301 -3.333) 3.404 3.599 ( -1.049 2.738 -1.423) 3.259 3.651 ( -0.830 4.584 -0.066) 4.659 3.684 ( -0.027 -1.227 -0.563) 1.351 3.850 ( -1.875 -8.088 -0.608) 8.325 3.914 ( 0.482 10.661 -6.185) 12.334 4.027 ( -3.770 -0.770 -9.423) 10.178 4.041 ( -3.183 0.655 -9.068) 9.633 4.122 ( -3.263 -4.007 -6.247) 8.107 4.303 ( 2.096 5.545 -1.853) 6.211 4.388 ( -2.401 0.196 -1.519) 2.848 4.428 ( -4.472 3.846 -0.466) 5.917 4.539 ( 1.601 5.239 1.943) 5.813 4.578 ( -5.777 -6.783 -3.916) 9.733 4.655 ( -4.084 1.118 1.559) 4.512 4.685 ( -2.075 -0.940 3.048) 3.806 4.720 ( 0.418 -1.055 1.215) 1.663 4.800 ( -1.200 -1.784 1.233) 2.478 4.862 ( -3.472 -6.368 -1.538) 7.414 4.963 ( 2.608 0.029 -1.363) 2.943 5.026 ( 1.784 -4.992 -0.101) 5.302 5.084 ( -0.220 2.136 3.185) 3.841 5.133 ( -0.772 0.095 5.072) 5.131 5.310 ( 0.819 3.617 -3.437) 5.056 5.358 ( 2.187 -0.569 -4.715) 5.228 5.497 ( 0.393 5.035 5.653) 7.581 5.538 ( -2.196 1.446 4.925) 5.582 5.580 ( -0.452 -1.696 4.541) 4.868 5.648 ( 0.083 -6.671 2.351) 7.073 5.730 ( 1.594 3.159 2.811) 4.519 5.754 ( -0.645 2.193 -0.360) 2.314 5.776 ( 3.807 3.409 2.240) 5.580 5.837 ( 2.764 -1.495 4.025) 5.106 5.885 ( -0.515 3.614 -2.439) 4.391 5.963 ( -1.464 0.783 -3.654) 4.013 6.004 ( -4.086 -3.307 -2.137) 5.674 6.031 ( 3.012 -4.203 -1.824) 5.483 6.224 ( -5.804 0.922 4.129) 7.182 6.264 ( -3.169 -1.361 -3.546) 4.946 6.335 ( -2.104 1.423 -0.636) 2.619 6.340 ( -2.278 0.610 1.032) 2.574 6.399 ( -0.339 1.293 3.987) 4.205 6.428 ( -3.510 -0.331 3.172) 4.743 6.466 ( -3.889 -0.879 -1.086) 4.133 6.479 ( -2.317 -1.509 -4.021) 4.880 6.781 ( 3.488 7.676 3.289) 9.050 6.993 ( 6.152 -9.723 1.053) 11.554 7.107 ( 1.404 1.672 1.268) 2.525 7.133 ( 2.577 -1.098 -0.681) 2.883 7.237 ( 4.281 1.957 -1.805) 5.041 7.293 ( 3.390 -2.693 0.855) 4.413 7.366 ( 2.246 5.914 4.369) 7.688 7.481 ( 1.005 -2.773 2.029) 3.580 7.878 ( 0.223 3.365 -3.445) 4.821 7.966 ( -0.608 -2.017 -2.726) 3.445 8.077 ( 3.096 2.880 0.002) 4.228 8.214 ( -3.195 -0.463 -2.359) 3.998 8.231 ( -1.791 -1.371 2.076) 3.066 8.298 ( 0.687 -3.403 2.452) 4.250 8.407 ( 2.606 4.165 -1.137) 5.043 8.477 ( 2.995 0.740 0.595) 3.142 8.670 ( 0.252 -1.318 0.333) 1.383 8.728 ( -4.647 -5.017 -9.641) 11.820 8.927 ( -9.182 1.496 1.075) 9.365 8.958 ( -8.045 1.154 -7.421) 11.005 9.308 ( 7.592 1.878 0.504) 7.837 9.366 ( 10.750 -3.490 1.632) 11.420 9.446 ( 6.588 5.462 -1.817) 8.749 9.507 ( 4.594 -0.544 -1.880) 4.993 9.664 ( -3.162 2.176 5.138) 6.414 9.688 ( -2.274 3.783 5.181) 6.806 9.805 ( 3.048 1.942 1.819) 4.046 9.919 ( 4.182 -1.368 3.134) 5.402 9.938 ( 0.053 0.906 0.922) 1.294 10.000 ( -12.201 -3.788 0.133) 12.776 10.307 ( -2.563 3.407 -12.922) 13.607 10.384 ( -4.489 -2.858 -10.474) 11.748 10.523 ( 7.423 4.759 1.916) 9.023 10.677 ( 10.513 -7.452 2.938) 13.217 10.733 ( -0.917 4.815 1.873) 5.247 10.830 ( -2.489 -1.428 1.194) 3.108 10.845 ( -2.398 -1.383 2.223) 3.551 10.888 ( -5.781 0.282 0.929) 5.861 10.943 ( -5.066 1.394 1.731) 5.532 11.062 ( 3.705 -7.678 -0.864) 8.569 11.254 ( 6.378 1.119 11.387) 13.099 11.296 ( 7.120 -0.096 11.185) 13.259 11.452 ( 12.537 5.688 1.919) 13.900 11.531 ( 11.614 2.519 -1.961) 12.045 11.952 ( 4.131 3.846 14.804) 15.844 12.035 ( 1.521 1.858 -9.196) 9.505 12.099 ( -1.207 -4.494 -6.300) 7.832 12.208 ( 4.424 -9.068 2.053) 10.296 12.276 ( 1.667 -2.046 -4.829) 5.504 12.331 ( -0.368 -4.375 -4.200) 6.076 12.473 ( -3.691 -0.607 -0.924) 3.853 12.535 ( -0.328 -4.243 -1.217) 4.426 12.690 ( 2.350 1.962 -0.200) 3.067 12.747 ( 2.603 -0.872 -0.277) 2.759 12.775 ( 6.667 -0.090 1.143) 6.765 12.828 ( 8.620 -4.333 3.062) 10.122 12.962 ( 4.907 5.622 -3.360) 8.184 13.002 ( 7.326 2.085 -4.731) 8.967 13.073 ( 4.000 -2.794 -3.189) 5.829 13.089 ( 2.087 -4.517 -1.553) 5.213 13.493 ( 2.895 0.679 6.205) 6.881 13.502 ( 4.229 -0.556 0.677) 4.318 13.510 ( 2.494 3.430 1.684) 4.562 13.592 ( 6.845 -2.537 4.497) 8.574 13.676 ( 4.461 5.807 -3.809) 8.255 13.823 ( 4.951 -4.538 -9.983) 12.032 13.907 ( 1.454 0.489 -2.400) 2.848 13.967 ( 10.035 -6.434 -6.265) 13.467 14.780 ( -1.569 2.257 7.100) 7.614 14.876 ( -1.304 -6.886 10.394) 12.536 15.130 ( -4.342 5.837 -3.697) 8.160 15.230 ( -4.617 -0.387 -3.992) 6.116 15.417 ( -6.185 9.262 7.181) 13.252 15.707 ( -5.436 -12.193 7.294) 15.213 16.107 ( -18.796 23.044 -19.287) 35.444 16.361 ( -15.680 -2.429 -12.588) 20.254 16.996 ( -7.287 0.623 1.918) 7.561 17.011 ( -6.083 -0.578 2.230) 6.504 17.072 ( -8.229 0.444 2.211) 8.533 17.076 ( -7.879 0.094 2.759) 8.349 19.787 ( -2.704 0.219 1.945) 3.338 19.819 ( -2.162 -2.415 0.444) 3.272 19.948 ( -0.289 1.299 1.812) 2.248 19.996 ( 0.215 -2.800 1.313) 3.100 20.073 ( -2.424 2.355 4.279) 5.453 20.158 ( -1.917 -4.836 0.532) 5.229 20.379 ( 1.164 4.700 -4.978) 6.945 20.444 ( 1.876 -1.207 -6.116) 6.510 20.552 ( -5.752 7.643 4.586) 10.608 20.738 ( 0.270 -5.274 1.645) 5.531 20.821 ( 9.536 -1.447 0.476) 9.657 20.903 ( 10.721 -5.630 -0.632) 12.126 21.048 ( -2.685 6.598 1.003) 7.194 21.202 ( -2.267 -5.042 3.340) 6.459 21.333 ( 4.202 1.894 -6.005) 7.570 21.349 ( 5.117 0.552 -11.166) 12.295 21.548 ( -2.208 4.286 3.750) 6.108 21.706 ( -2.937 -10.045 2.453) 10.749 22.009 ( 3.048 1.795 -8.479) 9.188 22.042 ( 4.451 -1.040 -7.912) 9.137 22.393 ( -0.208 0.564 10.360) 10.378 22.422 ( -0.211 -1.319 9.845) 9.935 22.553 ( -0.307 0.687 1.683) 1.844 22.571 ( -0.224 -0.738 1.008) 1.269 22.855 ( 0.172 -0.111 4.167) 4.172 22.866 ( 0.044 -1.392 6.245) 6.399 23.013 ( -0.115 1.726 -0.513) 1.804 23.039 ( 0.482 0.971 -0.232) 1.109 23.069 ( -0.608 0.341 1.819) 1.948 23.118 ( -0.662 -2.386 2.937) 3.841 23.387 ( -14.138 14.162 -6.268) 20.970 23.603 ( -10.836 -6.285 -9.387) 15.654 ======================= Grid point 38 (18/30) ======================= q-point: ( 0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 16.178 9.358 2.506) 18.857 1.292 ( 15.632 3.224 5.467) 16.871 1.445 ( 11.155 -7.851 1.733) 13.750 1.500 ( 6.802 -9.536 2.308) 11.938 1.660 ( 0.772 2.077 -7.157) 7.493 1.718 ( 2.052 -1.938 -7.902) 8.391 1.869 ( 3.112 1.383 -5.163) 6.185 1.923 ( -0.089 -1.510 -3.755) 4.048 1.999 ( 13.811 7.804 2.984) 16.141 2.057 ( 0.846 3.855 0.223) 3.953 2.115 ( 5.387 -0.432 3.093) 6.226 2.153 ( 4.579 -1.086 0.962) 4.804 2.211 ( 5.386 0.407 3.740) 6.570 2.267 ( 3.299 -2.275 3.159) 5.103 2.449 ( 4.170 2.760 -1.149) 5.132 2.511 ( 4.198 -2.610 -2.965) 5.764 2.629 ( 2.431 0.006 -3.143) 3.974 2.648 ( 8.210 -1.467 -2.183) 8.621 2.675 ( 1.750 0.930 -3.900) 4.375 2.688 ( 3.838 0.353 -2.446) 4.565 2.836 ( -3.232 -0.545 4.028) 5.193 2.851 ( -6.193 -0.810 4.208) 7.532 2.904 ( 0.190 -1.048 4.636) 4.757 2.933 ( -0.219 -2.622 5.019) 5.667 3.064 ( 0.389 2.823 2.487) 3.782 3.074 ( 1.594 3.575 4.547) 5.999 3.126 ( -2.220 -1.468 4.848) 5.531 3.156 ( 4.449 -4.152 6.276) 8.742 3.234 ( 9.572 -0.143 4.247) 10.473 3.276 ( 10.897 -3.719 0.704) 11.536 3.402 ( 3.463 1.523 3.302) 5.022 3.420 ( 3.388 0.136 1.893) 3.884 3.480 ( -0.172 1.116 -1.649) 1.998 3.501 ( -3.163 -0.094 -0.763) 3.255 3.553 ( 2.904 4.719 -0.458) 5.560 3.559 ( -3.384 1.972 0.057) 3.917 3.639 ( -1.793 -2.643 0.656) 3.260 3.640 ( 6.334 -0.835 -0.511) 6.409 3.704 ( 4.767 -1.510 -0.161) 5.003 3.795 ( -2.228 -6.770 0.343) 7.136 3.917 ( 0.128 7.209 -6.538) 9.733 3.991 ( 2.346 1.846 -4.363) 5.287 3.997 ( -0.384 0.448 -5.546) 5.578 4.055 ( -2.311 -3.420 -9.361) 10.230 4.278 ( -4.208 2.118 -1.449) 4.929 4.339 ( -1.711 0.127 -2.937) 3.401 4.388 ( 0.045 2.722 -3.283) 4.265 4.467 ( -3.774 -0.486 -3.692) 5.302 4.535 ( -3.118 3.171 0.884) 4.534 4.566 ( -0.806 1.203 -0.428) 1.510 4.643 ( -6.235 -4.360 0.250) 7.612 4.671 ( -1.171 -6.131 5.002) 7.999 4.817 ( 3.498 5.314 -0.213) 6.365 4.851 ( 1.131 0.654 -0.758) 1.511 4.965 ( -1.587 -0.023 2.275) 2.774 5.034 ( -0.049 -3.419 -0.511) 3.457 5.081 ( -0.747 0.683 3.089) 3.251 5.131 ( 0.666 -1.986 3.708) 4.259 5.337 ( 1.576 1.814 -1.605) 2.890 5.379 ( -0.524 -1.418 -3.876) 4.160 5.456 ( -3.386 4.242 5.711) 7.879 5.528 ( 0.608 0.825 2.371) 2.583 5.549 ( -1.528 -2.415 1.207) 3.103 5.614 ( -4.062 -6.871 0.234) 7.986 5.663 ( -5.239 5.893 3.987) 8.835 5.769 ( 1.709 3.063 2.033) 4.054 5.809 ( -4.362 -5.793 -0.307) 7.258 5.840 ( 0.975 -1.958 2.066) 3.009 5.916 ( -0.819 2.200 -4.531) 5.103 5.926 ( -1.424 0.887 -1.841) 2.491 6.019 ( 4.083 1.901 -0.273) 4.513 6.053 ( -1.993 -1.008 1.490) 2.685 6.167 ( -1.588 1.797 0.117) 2.401 6.198 ( -2.949 -0.554 -4.615) 5.505 6.241 ( -3.340 5.628 -1.331) 6.678 6.278 ( -7.001 0.361 2.094) 7.316 6.286 ( -5.482 -0.121 3.998) 6.786 6.346 ( -1.017 -2.941 -0.543) 3.158 6.412 ( -0.673 1.055 0.583) 1.380 6.468 ( -0.807 -3.317 0.878) 3.525 6.879 ( 5.457 8.976 0.626) 10.524 7.097 ( 3.548 -8.286 -0.148) 9.015 7.151 ( 2.624 1.204 2.334) 3.712 7.182 ( 1.622 -0.912 -0.002) 1.861 7.341 ( 4.800 0.937 -4.406) 6.583 7.356 ( 1.276 0.324 0.073) 1.318 7.411 ( 2.045 3.318 -0.654) 3.952 7.518 ( 2.290 -3.806 -0.413) 4.461 7.880 ( 0.472 4.473 -4.176) 6.138 7.983 ( 1.891 -3.068 -2.458) 4.362 8.128 ( 1.199 -0.913 -2.018) 2.519 8.176 ( -1.422 -4.156 -2.580) 5.095 8.213 ( 1.999 4.487 5.790) 7.593 8.344 ( 2.577 -4.322 2.358) 5.557 8.468 ( 3.153 1.968 3.337) 4.995 8.537 ( 2.534 -1.366 2.070) 3.546 8.618 ( -4.426 1.252 0.187) 4.603 8.666 ( -0.592 0.221 -0.145) 0.648 8.765 ( -7.359 -0.717 1.074) 7.472 8.826 ( -4.387 -3.900 -1.951) 6.186 9.342 ( -3.272 4.363 -0.249) 5.459 9.418 ( -5.221 1.956 1.657) 5.816 9.480 ( -6.954 -0.107 1.621) 7.142 9.574 ( -0.787 -4.112 2.318) 4.786 9.666 ( 5.598 1.924 2.177) 6.307 9.676 ( 1.726 1.274 2.721) 3.464 9.939 ( 6.691 0.156 -1.700) 6.906 9.961 ( 10.967 -1.503 -1.374) 11.154 10.076 ( 9.088 0.674 -0.855) 9.153 10.092 ( 10.543 -0.485 -0.962) 10.598 10.231 ( -4.775 2.051 -3.519) 6.276 10.280 ( -4.479 -1.917 -2.717) 5.578 10.577 ( -5.443 3.254 1.155) 6.445 10.653 ( -8.600 -2.543 -0.752) 8.999 10.688 ( -7.181 0.586 -0.506) 7.223 10.726 ( -4.814 -2.276 -0.808) 5.386 10.800 ( 10.808 7.345 3.395) 13.502 10.871 ( 0.410 3.721 6.396) 7.411 11.014 ( 6.245 -2.056 2.168) 6.923 11.173 ( 9.308 -13.833 -0.203) 16.674 11.406 ( 7.910 1.623 9.086) 12.155 11.457 ( 6.577 -2.735 6.783) 9.836 11.626 ( 4.099 4.012 -1.999) 6.074 11.666 ( -0.521 0.751 -3.236) 3.363 11.992 ( -4.427 2.740 -4.622) 6.963 12.035 ( 2.125 6.586 -6.386) 9.417 12.114 ( 1.636 4.207 1.019) 4.627 12.145 ( -3.921 2.831 -3.248) 5.826 12.277 ( -1.804 -1.413 -3.082) 3.840 12.329 ( -0.524 -4.277 1.154) 4.461 12.422 ( -1.390 -3.872 -3.098) 5.150 12.523 ( -1.743 -10.701 -3.384) 11.358 12.761 ( -0.079 2.303 1.730) 2.881 12.789 ( 3.828 0.094 2.610) 4.634 12.967 ( 7.963 4.927 -2.650) 9.731 13.028 ( -0.072 3.831 -2.519) 4.585 13.089 ( 10.660 0.370 2.115) 10.874 13.191 ( 18.002 -6.408 4.340) 19.595 13.268 ( 14.246 0.141 1.063) 14.287 13.296 ( 13.570 -4.278 1.190) 14.278 13.530 ( 2.288 1.261 0.857) 2.749 13.571 ( 4.235 -2.217 -2.052) 5.202 13.622 ( 8.457 6.033 4.574) 11.350 13.770 ( 11.582 -7.210 6.510) 15.116 13.856 ( 5.112 1.919 -6.484) 8.477 13.884 ( 1.674 -1.116 -4.625) 5.044 14.023 ( 16.296 8.923 -8.206) 20.310 14.295 ( 17.982 -14.180 -13.925) 26.801 14.750 ( -0.538 2.447 7.410) 7.822 14.851 ( -0.346 -6.297 8.319) 10.439 15.022 ( -5.171 4.118 -1.864) 6.868 15.097 ( -6.925 -1.853 -1.986) 7.439 15.270 ( -7.429 12.052 5.020) 15.021 15.548 ( -9.225 -6.812 3.625) 12.026 15.760 ( -13.454 12.162 -9.190) 20.332 15.983 ( -18.462 -4.161 -7.580) 20.386 16.757 ( -15.541 1.534 2.502) 15.815 16.800 ( -14.607 -2.102 2.025) 14.895 16.852 ( -12.877 0.713 0.946) 12.931 16.862 ( -12.397 0.004 0.995) 12.437 19.736 ( -1.760 0.751 3.265) 3.784 19.760 ( -2.648 -1.307 1.816) 3.466 19.954 ( 0.605 1.162 1.484) 1.980 20.002 ( 0.347 -1.888 1.094) 2.210 20.054 ( 0.004 2.036 3.498) 4.047 20.152 ( 1.064 -5.255 -0.820) 5.424 20.331 ( -6.214 9.048 0.091) 10.977 20.492 ( 0.475 -3.475 -7.081) 7.902 20.522 ( 3.823 4.666 -0.093) 6.032 20.659 ( -3.887 -8.798 4.475) 10.608 20.868 ( -4.445 3.510 -5.678) 8.020 20.971 ( -5.387 -4.239 -5.213) 8.611 21.143 ( 8.249 4.168 2.948) 9.701 21.248 ( 6.456 -4.398 3.833) 8.701 21.367 ( -1.942 2.618 -1.798) 3.723 21.406 ( 1.792 -0.437 -4.243) 4.626 21.517 ( 0.954 4.632 7.483) 8.852 21.655 ( -1.336 -7.280 5.663) 9.319 22.119 ( 6.162 1.969 -10.992) 12.754 22.162 ( 5.824 -1.480 -9.706) 11.416 22.404 ( 1.200 0.926 4.411) 4.664 22.429 ( 0.696 -1.028 4.821) 4.978 22.544 ( -0.543 0.647 -0.141) 0.857 22.551 ( -1.484 0.282 -0.856) 1.736 22.868 ( 1.142 0.136 4.333) 4.483 22.876 ( 0.954 -0.373 4.659) 4.770 23.004 ( -0.726 1.177 -0.107) 1.387 23.034 ( -1.543 -1.199 -0.138) 1.959 23.054 ( -0.812 1.952 0.792) 2.257 23.090 ( -2.459 -0.407 1.275) 2.800 23.155 ( -6.589 7.967 -1.274) 10.417 23.333 ( -12.916 -6.319 -4.775) 15.151 ======================= Grid point 39 (19/30) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 11.115 1.523 -1.009) 11.264 1.542 ( 5.305 -2.584 -1.027) 5.989 1.617 ( 6.461 1.688 3.423) 7.504 1.654 ( 5.696 0.216 0.292) 5.708 1.709 ( 3.996 -0.198 -0.585) 4.044 1.743 ( 2.716 -2.519 0.070) 3.705 1.862 ( -2.497 2.238 -1.726) 3.771 1.927 ( 0.256 -3.412 -0.595) 3.473 2.079 ( 2.773 3.766 -1.706) 4.978 2.153 ( 3.428 -1.264 -1.704) 4.031 2.209 ( 3.520 2.072 -2.402) 4.739 2.249 ( 4.546 0.344 2.044) 4.996 2.358 ( 5.488 -1.501 -0.754) 5.740 2.376 ( 5.535 -2.363 2.189) 6.403 2.494 ( 0.026 1.916 -2.226) 2.937 2.539 ( -0.512 -2.179 -0.764) 2.366 2.649 ( -1.053 0.800 0.265) 1.348 2.669 ( 0.141 -0.414 1.731) 1.786 2.734 ( 0.992 3.783 -3.117) 5.001 2.788 ( 0.437 1.588 -0.803) 1.832 2.818 ( 2.978 -0.039 -0.987) 3.137 2.838 ( 4.782 1.878 -2.009) 5.517 2.885 ( 1.330 -2.824 0.179) 3.127 2.925 ( 0.720 -3.173 0.298) 3.267 3.040 ( -2.868 1.590 4.205) 5.333 3.059 ( -1.830 -0.205 5.898) 6.179 3.189 ( 1.153 3.657 4.884) 6.209 3.266 ( 3.577 -1.412 3.896) 5.474 3.301 ( -2.523 1.267 4.670) 5.457 3.349 ( -4.845 -1.405 2.700) 5.722 3.411 ( -0.633 0.634 0.778) 1.186 3.424 ( -4.523 2.228 -0.311) 5.051 3.457 ( -1.436 -0.176 1.361) 1.986 3.519 ( -1.670 -1.627 0.624) 2.414 3.556 ( 3.864 -1.841 1.833) 4.656 3.628 ( 2.003 -6.238 -0.250) 6.557 3.712 ( 11.779 0.791 0.705) 11.826 3.739 ( 6.177 -2.022 0.358) 6.509 3.784 ( 5.279 2.547 -0.504) 5.884 3.842 ( 7.746 -2.380 -0.195) 8.106 3.986 ( 4.804 1.179 -4.577) 6.739 4.029 ( 1.284 4.952 -6.506) 8.276 4.033 ( 1.691 -1.465 -6.938) 7.290 4.107 ( 6.318 -0.113 -1.780) 6.565 4.261 ( 3.477 1.876 1.589) 4.258 4.337 ( 1.686 -3.551 -1.524) 4.216 4.361 ( -1.355 3.123 -0.567) 3.451 4.400 ( -1.717 0.751 -0.168) 1.882 4.506 ( -3.065 1.403 3.275) 4.700 4.537 ( -0.693 -0.470 5.246) 5.312 4.554 ( -0.720 0.842 2.457) 2.695 4.633 ( -2.544 -3.904 5.543) 7.241 4.859 ( -0.264 1.593 -1.233) 2.032 4.894 ( 0.890 -0.353 -2.962) 3.113 4.967 ( 4.272 6.705 -0.894) 8.000 4.995 ( -3.557 3.175 0.366) 4.782 5.067 ( -1.378 -4.230 -0.377) 4.465 5.179 ( 4.288 -9.048 1.314) 10.098 5.305 ( -4.458 1.353 -1.206) 4.812 5.376 ( -0.426 -0.309 0.828) 0.981 5.393 ( -1.693 1.614 1.888) 3.007 5.471 ( -6.880 -3.020 0.182) 7.516 5.531 ( -1.460 -1.918 -0.128) 2.414 5.543 ( 0.030 0.091 1.149) 1.153 5.620 ( 0.358 2.154 4.684) 5.168 5.690 ( -4.042 -3.705 1.567) 5.703 5.797 ( 0.038 1.149 -1.264) 1.709 5.841 ( -0.450 -2.071 -1.199) 2.435 5.885 ( -1.602 0.852 0.002) 1.815 5.899 ( -2.781 -0.148 -0.341) 2.806 5.997 ( -2.581 2.590 -1.863) 4.103 6.028 ( -3.080 0.859 1.050) 3.366 6.059 ( -6.174 2.690 0.864) 6.789 6.083 ( -6.965 -0.397 0.256) 6.981 6.110 ( -5.357 3.722 0.681) 6.558 6.166 ( -1.781 0.166 -2.338) 2.944 6.352 ( 4.774 2.112 0.553) 5.250 6.371 ( 0.909 0.155 -1.555) 1.807 6.418 ( 1.614 -0.900 -2.351) 2.990 6.444 ( -1.089 -2.425 0.882) 2.800 6.993 ( 5.113 6.664 -0.784) 8.436 7.146 ( 1.316 -4.777 -0.266) 4.963 7.186 ( -0.032 0.516 0.381) 0.642 7.202 ( 0.571 -0.408 0.836) 1.092 7.353 ( -0.448 4.901 0.571) 4.954 7.416 ( 1.303 2.191 -3.266) 4.143 7.444 ( 1.874 -0.103 -5.813) 6.109 7.560 ( 1.202 -6.667 -4.207) 7.975 7.919 ( 3.292 3.587 -1.357) 5.055 8.030 ( 2.432 -3.655 -1.293) 4.577 8.142 ( -1.267 -4.560 -0.126) 4.734 8.153 ( 1.130 -2.701 -1.144) 3.143 8.288 ( 3.843 4.815 4.829) 7.828 8.379 ( 0.766 -0.966 -0.260) 1.260 8.500 ( -1.869 1.421 5.838) 6.292 8.554 ( -0.754 -1.941 0.897) 2.267 8.594 ( -1.196 -1.939 6.775) 7.148 8.610 ( -2.902 -1.867 -2.889) 4.501 8.653 ( -1.415 1.794 3.096) 3.848 8.743 ( -3.463 -4.155 1.589) 5.638 9.242 ( -7.463 2.129 3.225) 8.404 9.295 ( -1.356 0.448 0.344) 1.469 9.330 ( -5.387 8.015 1.313) 9.746 9.528 ( -2.882 -6.775 -0.650) 7.391 9.756 ( 4.634 5.330 1.263) 7.175 9.834 ( 8.467 0.082 0.254) 8.472 10.027 ( 0.580 -1.421 -5.514) 5.724 10.076 ( -2.665 -2.952 -3.117) 5.053 10.117 ( -3.955 2.240 2.187) 5.044 10.149 ( 1.769 -1.360 1.395) 2.631 10.274 ( 4.856 3.053 -3.256) 6.596 10.346 ( 7.028 -2.805 -2.408) 7.941 10.476 ( -4.070 0.600 3.604) 5.469 10.501 ( -3.924 -0.338 0.788) 4.016 10.578 ( -3.432 1.279 -0.757) 3.740 10.633 ( -2.692 -3.553 -1.764) 4.794 10.923 ( 5.455 4.729 3.747) 8.134 11.026 ( 5.370 -3.822 2.068) 6.909 11.147 ( 8.453 6.976 -2.253) 11.189 11.312 ( -1.256 -5.885 -6.748) 9.041 11.457 ( -2.420 3.067 5.806) 6.999 11.571 ( 3.097 -8.027 7.220) 11.232 11.635 ( 4.879 2.375 3.587) 6.504 11.701 ( 2.150 -3.304 0.725) 4.008 11.924 ( -0.774 6.333 -5.200) 8.231 12.037 ( -2.185 6.899 -1.043) 7.312 12.085 ( 2.947 0.531 -5.038) 5.861 12.178 ( 0.736 0.587 -2.760) 2.916 12.251 ( 0.248 -3.413 3.060) 4.591 12.311 ( -1.899 -1.753 -2.854) 3.851 12.391 ( -1.584 -1.404 -1.668) 2.695 12.481 ( -2.423 -7.509 -3.711) 8.719 12.764 ( 0.915 5.699 0.345) 5.783 12.838 ( 1.386 -0.107 -0.413) 1.450 12.983 ( -2.877 1.183 -2.021) 3.709 12.995 ( -2.624 1.115 -2.882) 4.054 13.341 ( 9.339 3.118 3.905) 10.592 13.437 ( 7.724 -4.288 4.274) 9.813 13.495 ( 7.103 1.152 0.987) 7.263 13.557 ( 7.141 -2.881 2.968) 8.253 13.621 ( 4.461 1.885 2.528) 5.463 13.677 ( 3.902 -2.661 0.183) 4.726 13.860 ( -3.378 0.545 -2.205) 4.071 13.881 ( -1.182 -1.034 -2.945) 3.338 14.075 ( 34.730 5.782 2.708) 35.312 14.226 ( 31.490 -7.398 4.146) 32.612 14.476 ( 18.655 5.841 -10.215) 22.056 14.628 ( 12.414 -6.322 -7.179) 15.672 14.815 ( 9.165 2.264 5.534) 10.942 14.915 ( 7.272 -4.010 3.081) 8.858 14.956 ( 0.050 2.513 -0.070) 2.515 14.994 ( -2.065 -0.523 -0.088) 2.132 15.114 ( -6.693 8.157 3.462) 11.105 15.340 ( -10.574 -7.998 1.940) 13.400 15.543 ( -6.349 5.762 -7.835) 11.614 15.650 ( -11.386 -1.772 -6.217) 13.093 16.343 ( -24.023 2.148 3.145) 24.323 16.398 ( -23.610 -2.416 2.589) 23.874 16.517 ( -19.187 1.488 -0.997) 19.271 16.549 ( -17.584 -1.153 -1.016) 17.651 19.720 ( 0.235 0.384 3.985) 4.010 19.733 ( 0.454 -0.680 4.567) 4.639 19.946 ( -2.612 0.392 4.952) 5.613 19.974 ( -3.852 -1.869 4.494) 6.207 20.061 ( 1.483 5.099 -1.250) 5.456 20.189 ( 2.303 -5.835 -3.868) 7.370 20.229 ( -2.668 6.845 0.502) 7.363 20.414 ( -5.037 -8.920 -1.831) 10.406 20.623 ( 4.253 4.451 -2.573) 6.672 20.675 ( 3.523 -0.220 -2.842) 4.532 20.773 ( -3.488 3.093 -4.132) 6.229 20.851 ( -4.354 -3.436 -5.054) 7.504 21.203 ( -1.937 2.557 2.610) 4.136 21.260 ( -2.382 -3.036 1.620) 4.185 21.289 ( -4.741 4.540 0.320) 6.572 21.431 ( -2.575 -6.337 -3.734) 7.793 21.643 ( 9.968 4.326 7.605) 13.264 21.731 ( 9.185 -3.284 8.128) 12.697 22.194 ( -1.008 1.038 -6.145) 6.313 22.211 ( -1.704 0.079 -6.040) 6.276 22.443 ( 2.432 0.863 0.799) 2.701 22.460 ( 2.874 -0.410 -0.801) 3.012 22.527 ( -0.805 0.572 -1.857) 2.103 22.539 ( 0.269 -0.392 -1.493) 1.567 22.899 ( 1.675 0.862 2.762) 3.343 22.911 ( 2.379 -0.082 2.470) 3.430 22.978 ( -1.989 1.038 -0.199) 2.252 22.987 ( -1.336 -0.176 0.089) 1.351 23.020 ( -1.916 0.173 1.070) 2.201 23.031 ( -3.252 -0.173 1.044) 3.420 23.088 ( -2.032 0.808 -0.598) 2.267 23.128 ( -5.651 -2.222 -1.843) 6.346 ======================= Grid point 40 (20/30) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 2.835 1.006 2.102) 3.670 1.624 ( 2.716 -0.417 1.194) 2.996 1.665 ( -1.042 1.920 3.518) 4.141 1.686 ( -4.428 0.733 3.910) 5.952 1.788 ( 3.291 2.702 -0.471) 4.284 1.836 ( 7.940 -0.967 -2.123) 8.275 1.853 ( -1.873 0.530 0.243) 1.962 1.932 ( -0.072 -5.983 -1.403) 6.145 2.167 ( 4.603 4.032 -3.751) 7.178 2.212 ( 1.090 0.719 -2.229) 2.583 2.270 ( 3.145 -0.321 -6.516) 7.243 2.307 ( 0.210 -2.558 -1.077) 2.783 2.401 ( 0.176 1.785 -0.928) 2.019 2.451 ( 0.126 -0.869 -1.315) 1.581 2.470 ( -1.677 -0.546 -1.024) 2.039 2.494 ( -2.245 -1.362 -0.747) 2.730 2.704 ( 5.075 0.208 -0.457) 5.100 2.715 ( 6.219 -0.757 0.141) 6.266 2.769 ( 1.189 1.186 -2.401) 2.930 2.787 ( 0.494 0.502 -0.968) 1.197 2.862 ( -1.281 0.537 0.568) 1.501 2.878 ( -1.898 -0.363 3.138) 3.685 2.906 ( 0.125 0.365 2.088) 2.123 2.925 ( -3.441 -0.995 2.430) 4.329 3.036 ( 3.327 0.684 2.287) 4.095 3.059 ( 3.598 -0.423 1.680) 3.993 3.144 ( -3.632 2.149 -0.236) 4.227 3.172 ( -6.454 -1.095 -1.568) 6.731 3.268 ( -0.168 1.651 0.173) 1.669 3.296 ( 1.100 0.123 0.372) 1.168 3.329 ( -4.214 1.717 1.345) 4.745 3.361 ( -3.070 0.584 -0.262) 3.136 3.482 ( 2.431 -1.866 5.614) 6.396 3.522 ( 1.358 -3.373 2.225) 4.263 3.538 ( -2.973 -2.131 4.352) 5.685 3.589 ( -3.824 -5.147 0.183) 6.414 3.883 ( 4.814 6.434 0.867) 8.082 3.907 ( 3.693 5.213 2.100) 6.725 3.977 ( 8.956 0.143 1.074) 9.022 4.009 ( 5.229 -2.698 -2.303) 6.319 4.016 ( 1.700 2.753 -3.890) 5.060 4.078 ( 1.417 -2.263 -4.613) 5.330 4.094 ( 2.620 1.077 -2.102) 3.528 4.151 ( -2.179 -1.668 -1.593) 3.172 4.363 ( 2.906 1.317 3.839) 4.992 4.377 ( 3.658 1.670 2.746) 4.870 4.385 ( 1.251 1.037 2.006) 2.582 4.411 ( 1.328 -1.373 1.031) 2.170 4.467 ( 1.373 -0.795 2.958) 3.356 4.519 ( -0.327 0.089 5.917) 5.927 4.552 ( -2.930 -2.284 4.767) 6.043 4.563 ( -3.018 -4.452 4.335) 6.908 4.852 ( -0.000 4.251 -2.224) 4.798 4.883 ( -3.059 4.292 -2.032) 5.649 4.938 ( 2.680 -1.570 -2.824) 4.198 5.027 ( -2.972 -4.250 -5.155) 7.313 5.106 ( 6.372 3.361 1.805) 7.427 5.230 ( -3.080 4.032 2.786) 5.788 5.254 ( 2.561 -6.953 2.049) 7.687 5.332 ( -3.014 -3.110 2.935) 5.232 5.366 ( 0.801 -0.546 -1.363) 1.673 5.402 ( 1.275 -2.771 -1.034) 3.220 5.470 ( -3.944 0.683 -0.961) 4.117 5.513 ( -3.682 -1.857 0.001) 4.124 5.652 ( 2.729 1.831 4.024) 5.195 5.683 ( 2.602 -0.902 4.526) 5.298 5.755 ( -5.516 1.279 1.577) 5.878 5.785 ( -6.606 0.054 4.302) 7.883 5.830 ( 0.430 0.328 -2.633) 2.688 5.851 ( -0.452 0.016 -0.832) 0.947 5.920 ( -2.432 -1.696 -1.868) 3.504 5.925 ( -2.698 -2.316 -2.024) 4.091 6.018 ( 1.171 4.103 -0.943) 4.369 6.052 ( -1.553 5.292 -0.998) 5.605 6.064 ( 1.632 0.423 -3.707) 4.073 6.117 ( -2.766 -0.093 -3.285) 4.295 6.389 ( 1.352 1.787 -0.269) 2.257 6.408 ( 0.415 1.705 0.068) 1.756 6.432 ( 0.159 -1.362 -0.085) 1.374 6.441 ( -0.036 -0.728 -1.884) 2.020 7.089 ( 3.955 4.207 -1.558) 5.981 7.153 ( -1.653 1.682 -1.097) 2.601 7.173 ( 0.246 -0.704 0.135) 0.758 7.193 ( -1.169 -0.195 0.197) 1.201 7.361 ( 1.260 5.723 -0.021) 5.860 7.397 ( -1.842 5.394 -1.928) 6.017 7.504 ( 3.007 -5.286 -6.943) 9.230 7.556 ( -1.580 -7.396 -6.550) 10.005 8.004 ( 4.233 1.322 1.747) 4.766 8.067 ( -0.575 0.409 2.197) 2.307 8.125 ( 1.076 -5.661 -2.903) 6.452 8.164 ( -0.855 -3.903 -0.708) 4.058 8.353 ( 2.484 1.998 3.365) 4.636 8.399 ( 1.644 -1.551 -0.752) 2.382 8.423 ( -4.280 -0.147 4.516) 6.224 8.458 ( -4.417 -1.897 -0.920) 4.894 8.574 ( 1.036 1.109 2.774) 3.162 8.613 ( -2.338 0.893 4.805) 5.418 8.654 ( 1.997 -4.245 5.734) 7.409 8.690 ( -1.752 -3.515 4.897) 6.277 9.162 ( 0.358 9.145 1.652) 9.300 9.225 ( -4.512 11.690 0.584) 12.544 9.333 ( 4.089 -5.826 -1.100) 7.202 9.441 ( -5.322 -7.144 -1.923) 9.114 9.850 ( 4.244 6.620 1.307) 7.971 9.945 ( -5.179 3.148 -0.104) 6.062 9.974 ( 4.229 0.432 -1.829) 4.628 10.035 ( -1.397 -3.880 -1.825) 4.510 10.124 ( 4.540 2.064 -0.386) 5.002 10.213 ( 2.679 -5.476 -0.871) 6.158 10.261 ( -4.308 -1.271 -0.609) 4.533 10.321 ( -5.023 -4.735 -3.090) 7.563 10.463 ( 2.691 4.997 1.807) 5.956 10.520 ( -2.400 3.500 1.036) 4.368 10.558 ( 4.233 -2.844 -0.574) 5.131 10.607 ( -0.876 -4.309 -1.596) 4.678 11.038 ( 5.231 3.202 0.162) 6.135 11.090 ( 2.734 -1.110 -0.361) 2.973 11.172 ( -7.587 1.325 -3.108) 8.305 11.181 ( -5.205 0.461 -4.004) 6.583 11.521 ( 8.383 5.046 6.476) 11.734 11.665 ( -0.045 -2.284 4.437) 4.991 11.678 ( 0.491 -4.249 4.643) 6.313 11.725 ( 0.561 -3.525 4.199) 5.511 11.971 ( 4.179 7.346 -5.430) 10.046 12.026 ( -0.270 7.123 -3.240) 7.830 12.131 ( 1.008 -1.050 -5.530) 5.718 12.173 ( -1.860 -4.121 -5.983) 7.499 12.283 ( 1.956 -0.633 1.512) 2.552 12.292 ( 2.656 -2.536 2.037) 4.199 12.355 ( -1.789 -1.224 0.964) 2.373 12.405 ( -4.747 -5.335 -0.891) 7.197 12.807 ( 3.156 4.950 -0.953) 5.948 12.865 ( 0.898 0.455 -2.259) 2.473 12.902 ( -3.740 1.058 -1.148) 4.053 12.928 ( -3.117 -0.924 -2.409) 4.046 13.512 ( 7.531 2.727 2.496) 8.390 13.579 ( 5.420 -0.272 1.047) 5.527 13.599 ( 3.025 -0.046 0.630) 3.090 13.643 ( -0.371 1.172 1.806) 2.185 13.691 ( 1.167 -2.370 1.863) 3.233 13.716 ( 2.418 -1.026 1.741) 3.151 13.746 ( -5.474 1.677 0.668) 5.764 13.820 ( -4.344 -3.274 -0.948) 5.521 14.696 ( 7.200 4.938 0.059) 8.731 14.780 ( 20.834 1.347 -3.010) 21.093 14.792 ( 5.709 1.561 -0.607) 5.950 14.831 ( 9.985 -5.402 -1.257) 11.422 14.965 ( 2.950 2.032 -0.006) 3.582 15.020 ( 2.358 -1.067 1.215) 2.859 15.039 ( 0.644 -1.348 1.224) 1.931 15.071 ( 2.443 -3.903 -1.297) 4.784 15.155 ( 16.069 1.332 5.342) 16.986 15.180 ( 12.729 -1.382 4.811) 13.678 15.574 ( 14.770 6.557 -6.073) 17.264 15.699 ( 15.239 -4.269 -7.808) 17.647 15.756 ( -31.033 2.693 4.432) 31.463 15.818 ( -30.452 -2.421 3.973) 30.805 16.054 ( -24.350 3.394 -3.273) 24.803 16.133 ( -21.531 -3.113 -3.958) 22.112 19.752 ( 2.919 0.938 5.038) 5.898 19.778 ( 3.620 -1.251 5.885) 7.022 19.843 ( -5.408 1.120 5.941) 8.111 19.876 ( -5.189 -1.687 6.076) 8.166 20.115 ( 3.191 5.036 -3.200) 6.766 20.179 ( -2.641 5.181 -1.632) 6.040 20.253 ( 3.482 -6.921 -4.696) 9.060 20.328 ( -3.577 -7.876 -2.968) 9.146 20.678 ( 1.455 6.261 -2.400) 6.862 20.705 ( -0.862 5.142 -1.791) 5.512 20.773 ( 2.348 -0.847 -4.317) 4.986 20.803 ( -0.859 -3.791 -4.013) 5.587 21.151 ( -1.139 3.463 3.122) 4.800 21.188 ( -4.157 4.805 1.659) 6.567 21.252 ( 2.097 -5.394 -0.688) 5.828 21.336 ( -5.195 -6.916 -2.036) 8.886 21.866 ( 10.445 4.081 4.801) 12.199 21.946 ( 10.003 -2.744 4.061) 11.140 22.068 ( -8.603 3.199 1.121) 9.247 22.127 ( -6.802 -1.799 -0.973) 7.103 22.490 ( 1.707 1.399 -1.350) 2.587 22.513 ( -0.605 1.248 -2.114) 2.528 22.522 ( 2.184 -1.268 -2.492) 3.548 22.545 ( -0.094 -1.381 -1.956) 2.396 22.928 ( 0.910 1.308 0.727) 1.752 22.950 ( -1.465 0.155 0.598) 1.590 22.956 ( 0.506 0.011 0.206) 0.546 22.961 ( 0.080 -1.059 0.675) 1.258 22.995 ( 0.720 0.389 0.685) 1.067 23.006 ( 1.419 -0.517 0.525) 1.599 23.041 ( -2.514 0.465 -0.665) 2.642 23.055 ( -2.662 -0.648 -0.932) 2.894 ======================= Grid point 54 (21/30) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 0.000 23.561) 23.561 1.024 ( 0.000 0.000 23.415) 23.415 1.281 ( 0.000 0.000 -10.978) 10.978 1.296 ( 0.000 0.000 6.577) 6.577 1.345 ( 0.000 0.000 -6.716) 6.716 1.387 ( 0.000 0.000 -15.270) 15.270 1.607 ( 0.000 0.000 7.839) 7.839 1.711 ( 0.000 0.000 3.126) 3.126 1.719 ( 0.000 0.000 2.283) 2.283 1.909 ( 0.000 0.000 -7.659) 7.659 1.959 ( 0.000 0.000 2.436) 2.436 2.020 ( 0.000 0.000 -4.069) 4.069 2.180 ( 0.000 0.000 0.348) 0.348 2.271 ( 0.000 0.000 -6.542) 6.542 2.294 ( 0.000 0.000 7.008) 7.008 2.320 ( 0.000 0.000 -3.622) 3.622 2.395 ( 0.000 0.000 -10.767) 10.767 2.415 ( 0.000 0.000 -6.401) 6.401 2.645 ( 0.000 0.000 4.119) 4.119 2.698 ( 0.000 0.000 -1.713) 1.713 2.815 ( 0.000 0.000 1.846) 1.846 2.879 ( 0.000 0.000 -5.483) 5.483 3.066 ( 0.000 0.000 10.917) 10.917 3.071 ( 0.000 0.000 -0.342) 0.342 3.076 ( 0.000 0.000 -0.355) 0.355 3.105 ( 0.000 0.000 4.784) 4.784 3.152 ( 0.000 0.000 -1.929) 1.929 3.233 ( 0.000 0.000 -5.882) 5.882 3.294 ( 0.000 0.000 16.177) 16.177 3.335 ( 0.000 0.000 4.444) 4.444 3.385 ( 0.000 0.000 9.329) 9.329 3.395 ( 0.000 0.000 -3.783) 3.783 3.476 ( 0.000 0.000 8.536) 8.536 3.485 ( 0.000 0.000 -6.453) 6.453 3.496 ( 0.000 0.000 3.227) 3.227 3.530 ( 0.000 0.000 -3.513) 3.513 3.559 ( 0.000 0.000 11.577) 11.577 3.593 ( 0.000 0.000 -5.073) 5.073 3.598 ( 0.000 0.000 8.098) 8.098 3.622 ( 0.000 0.000 -6.975) 6.975 3.807 ( 0.000 0.000 -16.235) 16.235 3.814 ( 0.000 0.000 -14.440) 14.440 3.956 ( 0.000 0.000 2.138) 2.138 4.053 ( 0.000 0.000 -7.924) 7.924 4.285 ( 0.000 0.000 5.484) 5.484 4.388 ( 0.000 0.000 -5.083) 5.083 4.500 ( 0.000 0.000 3.412) 3.412 4.503 ( 0.000 0.000 3.546) 3.546 4.675 ( 0.000 0.000 3.783) 3.783 4.678 ( 0.000 0.000 -2.023) 2.023 4.692 ( 0.000 0.000 -3.027) 3.027 4.749 ( 0.000 0.000 -4.512) 4.512 4.987 ( 0.000 0.000 4.733) 4.733 5.035 ( 0.000 0.000 4.815) 4.815 5.041 ( 0.000 0.000 5.533) 5.533 5.073 ( 0.000 0.000 1.512) 1.512 5.082 ( 0.000 0.000 -3.596) 3.596 5.140 ( 0.000 0.000 -4.521) 4.521 5.158 ( 0.000 0.000 4.842) 4.842 5.269 ( 0.000 0.000 -6.486) 6.486 5.573 ( 0.000 0.000 1.130) 1.130 5.579 ( 0.000 0.000 2.316) 2.316 5.621 ( 0.000 0.000 4.938) 4.938 5.679 ( 0.000 0.000 -0.471) 0.471 5.783 ( 0.000 0.000 4.255) 4.255 5.788 ( 0.000 0.000 3.686) 3.686 5.791 ( 0.000 0.000 3.434) 3.434 5.798 ( 0.000 0.000 5.190) 5.190 5.854 ( 0.000 0.000 -5.287) 5.287 5.952 ( 0.000 0.000 -9.331) 9.331 6.027 ( 0.000 0.000 0.880) 0.880 6.077 ( 0.000 0.000 13.181) 13.181 6.115 ( 0.000 0.000 -7.769) 7.769 6.328 ( 0.000 0.000 -0.230) 0.230 6.328 ( 0.000 0.000 -9.354) 9.354 6.345 ( 0.000 0.000 -1.574) 1.574 6.417 ( 0.000 0.000 1.685) 1.685 6.459 ( 0.000 0.000 3.190) 3.190 6.470 ( 0.000 0.000 -7.754) 7.754 6.490 ( 0.000 0.000 -0.942) 0.942 6.808 ( 0.000 0.000 5.799) 5.799 6.946 ( 0.000 0.000 -9.598) 9.598 7.094 ( 0.000 0.000 3.011) 3.011 7.126 ( 0.000 0.000 -0.394) 0.394 7.299 ( 0.000 0.000 6.038) 6.038 7.322 ( 0.000 0.000 5.077) 5.077 7.346 ( 0.000 0.000 2.982) 2.982 7.397 ( 0.000 0.000 -2.172) 2.172 7.818 ( 0.000 0.000 2.110) 2.110 7.919 ( 0.000 0.000 -4.888) 4.888 8.169 ( 0.000 0.000 1.750) 1.750 8.196 ( 0.000 0.000 0.801) 0.801 8.259 ( 0.000 0.000 0.883) 0.883 8.309 ( 0.000 0.000 -5.005) 5.005 8.374 ( 0.000 0.000 0.016) 0.016 8.385 ( 0.000 0.000 0.642) 0.642 8.695 ( 0.000 0.000 -3.615) 3.615 8.746 ( 0.000 0.000 -6.927) 6.927 8.928 ( 0.000 0.000 3.581) 3.581 9.002 ( 0.000 0.000 -3.769) 3.769 9.183 ( 0.000 0.000 0.746) 0.746 9.193 ( 0.000 0.000 -0.663) 0.663 9.278 ( 0.000 0.000 2.813) 2.813 9.321 ( 0.000 0.000 -1.862) 1.862 9.616 ( 0.000 0.000 2.376) 2.376 9.640 ( 0.000 0.000 -0.671) 0.671 9.863 ( 0.000 0.000 0.323) 0.323 9.873 ( 0.000 0.000 -1.240) 1.240 9.960 ( 0.000 0.000 11.405) 11.405 10.204 ( 0.000 0.000 -13.984) 13.984 10.259 ( 0.000 0.000 1.837) 1.837 10.322 ( 0.000 0.000 -4.025) 4.025 10.519 ( 0.000 0.000 6.213) 6.213 10.620 ( 0.000 0.000 6.907) 6.907 10.653 ( 0.000 0.000 -8.189) 8.189 10.748 ( 0.000 0.000 -6.430) 6.430 10.906 ( 0.000 0.000 0.416) 0.416 10.916 ( 0.000 0.000 -0.512) 0.512 11.003 ( 0.000 0.000 5.813) 5.813 11.072 ( 0.000 0.000 -2.265) 2.265 11.386 ( 0.000 0.000 19.413) 19.413 11.489 ( 0.000 0.000 18.140) 18.140 11.517 ( 0.000 0.000 11.546) 11.546 11.667 ( 0.000 0.000 17.117) 17.117 11.745 ( 0.000 0.000 -12.934) 12.934 11.928 ( 0.000 0.000 -20.715) 20.715 11.985 ( 0.000 0.000 -18.659) 18.659 11.992 ( 0.000 0.000 -17.087) 17.087 12.211 ( 0.000 0.000 13.122) 13.122 12.411 ( 0.000 0.000 -8.324) 8.324 12.455 ( 0.000 0.000 0.831) 0.831 12.472 ( 0.000 0.000 -1.157) 1.157 12.609 ( 0.000 0.000 2.528) 2.528 12.659 ( 0.000 0.000 -2.449) 2.449 12.785 ( 0.000 0.000 0.814) 0.814 12.814 ( 0.000 0.000 -2.744) 2.744 12.957 ( 0.000 0.000 1.833) 1.833 12.999 ( 0.000 0.000 -2.739) 2.739 13.173 ( 0.000 0.000 1.861) 1.861 13.210 ( 0.000 0.000 -1.875) 1.875 13.421 ( 0.000 0.000 2.313) 2.313 13.450 ( 0.000 0.000 1.912) 1.912 13.454 ( 0.000 0.000 -1.144) 1.144 13.482 ( 0.000 0.000 -1.503) 1.503 13.652 ( 0.000 0.000 9.554) 9.554 13.752 ( 0.000 0.000 6.855) 6.855 13.803 ( 0.000 0.000 -6.811) 6.811 13.858 ( 0.000 0.000 -4.235) 4.235 14.889 ( 0.000 0.000 6.264) 6.264 15.002 ( 0.000 0.000 -5.711) 5.711 15.211 ( 0.000 0.000 1.386) 1.386 15.230 ( 0.000 0.000 -0.682) 0.682 15.497 ( 0.000 0.000 1.339) 1.339 15.522 ( 0.000 0.000 -1.317) 1.317 16.122 ( 0.000 0.000 10.399) 10.399 16.317 ( 0.000 0.000 -10.742) 10.742 17.104 ( 0.000 0.000 2.221) 2.221 17.141 ( 0.000 0.000 3.811) 3.811 17.145 ( 0.000 0.000 -2.131) 2.131 17.187 ( 0.000 0.000 -0.610) 0.610 19.855 ( 0.000 0.000 0.260) 0.260 19.887 ( 0.000 0.000 -2.677) 2.677 19.963 ( 0.000 0.000 5.327) 5.327 20.049 ( 0.000 0.000 -3.543) 3.543 20.193 ( 0.000 0.000 5.274) 5.274 20.263 ( 0.000 0.000 2.534) 2.534 20.290 ( 0.000 0.000 -5.743) 5.743 20.330 ( 0.000 0.000 -4.604) 4.604 20.542 ( 0.000 0.000 0.332) 0.332 20.577 ( 0.000 0.000 -3.393) 3.393 20.795 ( 0.000 0.000 0.491) 0.491 20.810 ( 0.000 0.000 -1.120) 1.120 20.962 ( 0.000 0.000 5.506) 5.506 21.095 ( 0.000 0.000 -8.778) 8.778 21.348 ( 0.000 0.000 4.946) 4.946 21.365 ( 0.000 0.000 3.647) 3.647 21.638 ( 0.000 0.000 8.729) 8.729 21.816 ( 0.000 0.000 -10.067) 10.067 21.860 ( 0.000 0.000 -2.975) 2.975 21.885 ( 0.000 0.000 -5.170) 5.170 22.556 ( 0.000 0.000 3.021) 3.021 22.591 ( 0.000 0.000 -0.625) 0.625 22.593 ( 0.000 0.000 3.496) 3.496 22.601 ( 0.000 0.000 1.770) 1.770 22.923 ( 0.000 0.000 3.418) 3.418 22.968 ( 0.000 0.000 -1.634) 1.634 22.992 ( 0.000 0.000 0.340) 0.340 23.005 ( 0.000 0.000 -1.177) 1.177 23.192 ( 0.000 0.000 2.511) 2.511 23.228 ( 0.000 0.000 -1.300) 1.300 23.290 ( 0.000 0.000 10.635) 10.635 23.513 ( 0.000 0.000 -12.639) 12.639 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 6.861 0.000 19.078) 20.274 1.139 ( 10.232 0.000 14.867) 18.047 1.373 ( 2.095 0.000 -7.501) 7.788 1.374 ( 4.290 0.000 -4.953) 6.553 1.397 ( 7.486 0.000 -12.062) 14.196 1.472 ( 11.172 0.000 -5.493) 12.449 1.707 ( 6.267 0.000 6.383) 8.946 1.809 ( 5.776 0.000 -2.037) 6.125 1.809 ( 8.435 0.000 7.869) 11.536 1.926 ( 4.067 0.000 -2.683) 4.872 2.060 ( 5.969 0.000 2.503) 6.473 2.074 ( 5.952 0.000 -1.113) 6.055 2.175 ( 0.289 0.000 6.331) 6.337 2.264 ( 1.446 0.000 3.030) 3.357 2.337 ( 2.597 0.000 -5.516) 6.097 2.340 ( 3.293 0.000 -8.066) 8.712 2.466 ( 6.440 0.000 -3.933) 7.546 2.501 ( 6.580 0.000 -4.782) 8.135 2.613 ( -1.440 0.000 2.498) 2.883 2.659 ( -2.755 0.000 -2.429) 3.673 2.881 ( 4.650 0.000 2.486) 5.273 2.943 ( 4.323 0.000 -3.844) 5.785 3.033 ( -3.736 0.000 0.382) 3.755 3.042 ( -2.620 0.000 -0.690) 2.709 3.125 ( 3.979 0.000 5.454) 6.751 3.173 ( 3.596 0.000 2.136) 4.183 3.177 ( -0.514 0.000 7.218) 7.236 3.195 ( -5.821 0.000 7.584) 9.560 3.262 ( 2.362 0.000 2.033) 3.117 3.290 ( 1.376 0.000 -1.996) 2.425 3.359 ( 4.416 0.000 -0.442) 4.439 3.380 ( -4.373 0.000 2.959) 5.280 3.461 ( -0.876 0.000 4.199) 4.290 3.488 ( -1.591 0.000 -1.720) 2.343 3.501 ( 2.446 0.000 4.749) 5.342 3.526 ( -0.264 0.000 -1.406) 1.430 3.555 ( 1.578 0.000 1.006) 1.871 3.590 ( 2.083 0.000 8.616) 8.864 3.693 ( 4.767 0.000 -5.244) 7.087 3.702 ( 3.755 0.000 0.453) 3.782 3.819 ( 0.122 0.000 -12.139) 12.139 3.841 ( 1.075 0.000 -12.155) 12.202 3.946 ( -0.743 0.000 0.851) 1.130 4.022 ( -2.663 0.000 -7.084) 7.568 4.237 ( -2.717 0.000 3.779) 4.654 4.311 ( -6.368 0.000 -3.161) 7.109 4.426 ( -4.805 0.000 2.438) 5.388 4.479 ( -2.236 0.000 -2.871) 3.639 4.537 ( -7.338 0.000 0.674) 7.369 4.594 ( -5.502 0.000 -4.533) 7.129 4.766 ( 4.543 0.000 4.628) 6.485 4.826 ( 1.256 0.000 -1.542) 1.989 4.935 ( -5.520 0.000 3.882) 6.749 4.949 ( -5.949 0.000 2.852) 6.597 5.047 ( -1.328 0.000 1.223) 1.805 5.062 ( 1.029 0.000 1.339) 1.689 5.103 ( 0.556 0.000 -0.078) 0.562 5.134 ( 1.026 0.000 -2.372) 2.584 5.185 ( 2.831 0.000 3.886) 4.808 5.292 ( 0.868 0.000 -6.163) 6.224 5.556 ( -1.075 0.000 1.159) 1.581 5.569 ( -0.627 0.000 0.977) 1.161 5.679 ( 3.818 0.000 5.015) 6.303 5.727 ( 1.909 0.000 0.580) 1.995 5.751 ( -2.106 0.000 2.368) 3.169 5.768 ( -0.216 0.000 3.786) 3.792 5.788 ( 1.635 0.000 -1.940) 2.537 5.805 ( -0.211 0.000 9.300) 9.303 5.854 ( -2.910 0.000 -5.441) 6.171 5.974 ( 3.393 0.000 -6.319) 7.172 6.017 ( -1.976 0.000 6.364) 6.663 6.094 ( 2.499 0.000 5.712) 6.235 6.095 ( -1.741 0.000 -7.479) 7.679 6.263 ( -5.886 0.000 -3.267) 6.731 6.268 ( -6.061 0.000 -0.213) 6.065 6.331 ( -3.070 0.000 -10.386) 10.830 6.407 ( -2.001 0.000 2.988) 3.596 6.434 ( -3.305 0.000 -0.271) 3.316 6.445 ( -0.297 0.000 1.966) 1.988 6.474 ( 0.878 0.000 -1.351) 1.611 6.808 ( 0.517 0.000 7.691) 7.708 6.975 ( 2.513 0.000 -10.308) 10.610 7.146 ( 4.118 0.000 2.346) 4.740 7.161 ( 2.579 0.000 2.183) 3.379 7.327 ( 1.595 0.000 1.611) 2.267 7.341 ( 1.342 0.000 4.452) 4.650 7.362 ( 1.350 0.000 3.004) 3.294 7.411 ( 1.339 0.000 -3.412) 3.665 7.822 ( 0.221 0.000 3.322) 3.329 7.952 ( 2.854 0.000 -6.434) 7.038 8.079 ( -4.510 0.000 1.467) 4.743 8.143 ( -1.857 0.000 -3.252) 3.745 8.291 ( 1.864 0.000 3.788) 4.221 8.329 ( 1.741 0.000 -1.252) 2.145 8.432 ( 4.524 0.000 0.661) 4.572 8.468 ( 4.916 0.000 -2.185) 5.379 8.674 ( -1.085 0.000 0.144) 1.094 8.744 ( -0.182 0.000 -6.375) 6.377 8.817 ( -5.997 0.000 7.291) 9.441 8.929 ( -5.217 0.000 -4.842) 7.118 9.265 ( 5.627 0.000 2.261) 6.064 9.309 ( 7.059 0.000 -2.545) 7.504 9.468 ( 11.819 0.000 2.304) 12.041 9.506 ( 7.487 0.000 -1.452) 7.627 9.658 ( 5.130 0.000 2.900) 5.893 9.686 ( 9.098 0.000 -0.231) 9.101 9.849 ( -2.460 0.000 1.648) 2.961 9.879 ( -0.496 0.000 -2.317) 2.370 9.999 ( 2.200 0.000 8.874) 9.142 10.116 ( -12.190 0.000 1.480) 12.279 10.140 ( -5.733 0.000 -2.206) 6.143 10.211 ( -0.164 0.000 -12.448) 12.449 10.525 ( 8.354 0.000 4.801) 9.635 10.635 ( 7.250 0.000 -5.775) 9.269 10.803 ( -4.723 0.000 -0.316) 4.733 10.809 ( -5.812 0.000 -1.501) 6.003 10.899 ( -2.773 0.000 7.223) 7.737 10.960 ( -9.448 0.000 -0.744) 9.477 10.978 ( 7.912 0.000 4.820) 9.265 11.134 ( 14.700 0.000 -10.202) 17.893 11.448 ( 6.884 0.000 15.346) 16.819 11.500 ( 3.150 0.000 14.182) 14.527 11.560 ( 3.174 0.000 10.992) 11.441 11.648 ( -1.235 0.000 16.263) 16.309 11.768 ( 1.086 0.000 -10.754) 10.809 11.915 ( -0.914 0.000 -15.572) 15.599 11.965 ( -1.221 0.000 -14.954) 15.004 11.971 ( -1.547 0.000 -15.870) 15.945 12.228 ( 1.182 0.000 9.745) 9.816 12.391 ( -1.379 0.000 -7.176) 7.307 12.571 ( 11.011 0.000 0.871) 11.045 12.597 ( 11.420 0.000 -2.662) 11.726 12.676 ( 0.508 0.000 7.132) 7.150 12.758 ( 1.750 0.000 0.317) 1.778 12.804 ( 1.880 0.000 -2.631) 3.234 12.824 ( -3.919 0.000 -2.512) 4.655 12.922 ( 3.522 0.000 1.088) 3.686 12.953 ( 6.981 0.000 -2.582) 7.443 13.103 ( -1.384 0.000 1.884) 2.338 13.170 ( 3.646 0.000 -5.378) 6.497 13.450 ( 3.049 0.000 2.064) 3.682 13.476 ( 2.151 0.000 -1.051) 2.394 13.569 ( 3.158 0.000 2.562) 4.066 13.614 ( 5.489 0.000 1.218) 5.622 13.729 ( 5.380 0.000 -0.303) 5.388 13.802 ( 4.084 0.000 1.578) 4.379 13.834 ( 4.507 0.000 -0.415) 4.526 13.933 ( 9.895 0.000 -5.553) 11.346 14.867 ( -1.929 0.000 5.958) 6.262 14.971 ( -2.703 0.000 -5.200) 5.860 15.173 ( -3.937 0.000 2.178) 4.500 15.204 ( -2.710 0.000 -1.274) 2.994 15.392 ( -8.538 0.000 1.041) 8.601 15.402 ( -8.810 0.000 0.406) 8.820 16.044 ( -7.289 0.000 7.834) 10.701 16.198 ( -10.721 0.000 -8.717) 13.817 17.027 ( -7.329 0.000 2.235) 7.663 17.063 ( -7.430 0.000 -1.342) 7.550 17.073 ( -6.551 0.000 2.767) 7.112 17.102 ( -7.867 0.000 0.019) 7.867 19.829 ( -1.726 0.000 2.336) 2.905 19.886 ( -0.071 0.000 -3.455) 3.456 19.920 ( -3.639 0.000 5.621) 6.696 20.029 ( -1.748 0.000 -5.479) 5.751 20.135 ( -2.128 0.000 5.220) 5.637 20.194 ( -2.700 0.000 -2.315) 3.557 20.266 ( 0.288 0.000 1.177) 1.211 20.342 ( 0.140 0.000 -6.718) 6.720 20.559 ( -1.923 0.000 6.661) 6.933 20.665 ( 4.477 0.000 -4.828) 6.584 20.932 ( 10.762 0.000 3.928) 11.457 20.989 ( 7.171 0.000 2.906) 7.737 21.054 ( 11.071 0.000 -8.031) 13.677 21.082 ( -1.959 0.000 -4.943) 5.317 21.327 ( -2.608 0.000 3.956) 4.739 21.337 ( 0.009 0.000 1.691) 1.691 21.625 ( -0.890 0.000 9.409) 9.451 21.810 ( -0.021 0.000 -10.195) 10.195 21.840 ( -1.011 0.000 0.406) 1.089 21.913 ( 2.769 0.000 -6.832) 7.372 22.509 ( -3.455 0.000 4.044) 5.319 22.554 ( -2.337 0.000 1.762) 2.927 22.571 ( -2.623 0.000 -0.333) 2.644 22.576 ( -2.026 0.000 0.935) 2.231 22.923 ( 0.112 0.000 3.325) 3.327 22.966 ( -0.360 0.000 -1.368) 1.415 23.012 ( 1.514 0.000 0.704) 1.670 23.023 ( 1.154 0.000 -0.487) 1.252 23.113 ( -6.675 0.000 2.817) 7.245 23.125 ( -4.894 0.000 0.906) 4.977 23.258 ( -3.189 0.000 9.062) 9.606 23.459 ( -6.192 0.000 -12.075) 13.570 ======================= Grid point 56 (23/30) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 12.832 0.000 8.961) 15.651 1.378 ( 9.065 0.000 -5.747) 10.733 1.447 ( 8.619 0.000 2.354) 8.935 1.509 ( 8.014 0.000 -3.268) 8.654 1.618 ( 10.872 0.000 -0.968) 10.915 1.680 ( 6.441 0.000 -1.530) 6.620 1.787 ( 3.550 0.000 -2.096) 4.123 1.846 ( -2.253 0.000 -5.059) 5.538 1.971 ( 5.947 0.000 1.936) 6.254 1.997 ( 1.652 0.000 -1.140) 2.007 2.185 ( 6.563 0.000 4.317) 7.855 2.237 ( 6.801 0.000 -0.811) 6.849 2.257 ( 5.962 0.000 9.511) 11.225 2.358 ( 5.322 0.000 2.970) 6.095 2.405 ( 2.543 0.000 -1.203) 2.814 2.431 ( 5.130 0.000 -7.994) 9.499 2.600 ( -1.082 0.000 -0.251) 1.110 2.603 ( 4.161 0.000 -0.993) 4.277 2.634 ( 4.565 0.000 -1.327) 4.754 2.639 ( 4.646 0.000 -1.757) 4.967 2.895 ( -4.422 0.000 0.445) 4.444 2.899 ( -6.124 0.000 0.442) 6.140 2.956 ( -3.876 0.000 2.778) 4.768 2.993 ( -5.632 0.000 -0.860) 5.697 3.121 ( 4.569 0.000 4.625) 6.501 3.129 ( 4.770 0.000 3.677) 6.023 3.289 ( -3.249 0.000 4.485) 5.538 3.324 ( 5.710 0.000 3.683) 6.795 3.335 ( 3.719 0.000 11.888) 12.456 3.355 ( 2.905 0.000 -1.656) 3.344 3.376 ( 10.570 0.000 1.008) 10.618 3.454 ( 3.689 0.000 -0.225) 3.696 3.478 ( -0.569 0.000 -2.750) 2.808 3.491 ( 6.306 0.000 -0.199) 6.310 3.517 ( 0.573 0.000 0.195) 0.605 3.567 ( 0.206 0.000 7.379) 7.382 3.611 ( 4.772 0.000 -5.181) 7.044 3.646 ( 4.056 0.000 -0.872) 4.148 3.714 ( -1.429 0.000 -5.383) 5.570 3.723 ( -3.354 0.000 -2.601) 4.245 3.846 ( 3.903 0.000 -3.569) 5.289 3.865 ( -1.759 0.000 -2.752) 3.267 3.912 ( 3.705 0.000 -1.466) 3.985 3.952 ( -2.422 0.000 -5.343) 5.866 4.221 ( -0.371 0.000 0.181) 0.413 4.264 ( 3.839 0.000 -3.617) 5.274 4.355 ( -1.114 0.000 1.487) 1.858 4.398 ( -3.036 0.000 -2.045) 3.661 4.491 ( 2.094 0.000 -1.642) 2.661 4.511 ( -0.079 0.000 -2.551) 2.552 4.749 ( -8.043 0.000 3.715) 8.859 4.788 ( -5.680 0.000 3.842) 6.857 4.817 ( -4.170 0.000 -0.522) 4.203 4.856 ( 0.311 0.000 -0.102) 0.327 5.017 ( -1.795 0.000 3.535) 3.965 5.056 ( -3.310 0.000 5.484) 6.406 5.093 ( 0.429 0.000 -2.614) 2.649 5.172 ( 1.242 0.000 -4.838) 4.995 5.283 ( 5.239 0.000 0.730) 5.289 5.312 ( 2.181 0.000 -3.180) 3.856 5.538 ( -0.856 0.000 1.099) 1.393 5.541 ( -2.993 0.000 1.708) 3.446 5.674 ( -2.657 0.000 2.132) 3.407 5.696 ( -4.856 0.000 1.304) 5.028 5.719 ( -1.575 0.000 8.068) 8.220 5.762 ( -2.593 0.000 -2.365) 3.510 5.782 ( 0.078 0.000 4.371) 4.372 5.851 ( 4.727 0.000 1.021) 4.836 5.888 ( 3.806 0.000 -3.306) 5.042 5.965 ( -2.556 0.000 6.073) 6.589 5.968 ( -4.816 0.000 -9.157) 10.346 6.051 ( -3.251 0.000 -4.821) 5.815 6.080 ( -8.216 0.000 1.149) 8.296 6.129 ( -4.427 0.000 -2.363) 5.019 6.169 ( 0.996 0.000 3.506) 3.644 6.269 ( -3.433 0.000 -4.647) 5.778 6.334 ( -4.033 0.000 -1.054) 4.168 6.343 ( -3.146 0.000 0.756) 3.235 6.432 ( -1.153 0.000 4.002) 4.165 6.500 ( -0.061 0.000 -2.369) 2.370 6.850 ( 3.609 0.000 7.823) 8.615 7.032 ( 2.678 0.000 -11.107) 11.425 7.208 ( 1.145 0.000 3.763) 3.934 7.223 ( 1.983 0.000 0.947) 2.197 7.353 ( -0.026 0.000 2.509) 2.510 7.362 ( 1.538 0.000 -0.684) 1.683 7.367 ( -0.533 0.000 2.824) 2.873 7.455 ( 2.700 0.000 -6.589) 7.120 7.842 ( 2.585 0.000 5.085) 5.704 8.000 ( 1.753 0.000 -10.029) 10.181 8.074 ( 3.465 0.000 3.719) 5.083 8.157 ( 2.423 0.000 -4.192) 4.842 8.317 ( 0.460 0.000 4.576) 4.599 8.343 ( -0.817 0.000 0.540) 0.980 8.538 ( 4.762 0.000 -0.422) 4.781 8.551 ( 2.378 0.000 -2.042) 3.134 8.680 ( 1.036 0.000 6.277) 6.362 8.726 ( -2.095 0.000 -1.006) 2.324 8.727 ( -1.785 0.000 4.296) 4.652 8.822 ( -4.180 0.000 -5.189) 6.663 9.307 ( -0.619 0.000 1.459) 1.585 9.331 ( -3.409 0.000 -0.636) 3.468 9.599 ( -1.556 0.000 2.756) 3.165 9.640 ( 4.399 0.000 -1.205) 4.561 9.710 ( -6.847 0.000 3.658) 7.763 9.715 ( -5.530 0.000 2.933) 6.260 9.937 ( 12.249 0.000 -1.360) 12.324 9.954 ( 12.775 0.000 -0.960) 12.811 10.007 ( 0.630 0.000 0.627) 0.889 10.063 ( 5.038 0.000 -2.377) 5.571 10.166 ( 2.389 0.000 0.130) 2.392 10.219 ( 0.592 0.000 -5.323) 5.356 10.619 ( -6.681 0.000 3.439) 7.514 10.647 ( -7.125 0.000 -0.166) 7.126 10.710 ( -8.613 0.000 1.781) 8.796 10.736 ( -0.933 0.000 -0.386) 1.010 10.778 ( 6.414 0.000 3.430) 7.273 10.856 ( 4.217 0.000 -3.048) 5.203 11.132 ( 3.406 0.000 6.429) 7.276 11.283 ( 1.814 0.000 -9.406) 9.580 11.573 ( 0.006 0.000 7.291) 7.291 11.624 ( 4.726 0.000 3.639) 5.965 11.646 ( 1.808 0.000 12.955) 13.080 11.684 ( 10.352 0.000 9.867) 14.302 11.774 ( 0.331 0.000 -6.347) 6.356 11.873 ( -0.953 0.000 -9.830) 9.876 11.922 ( -2.598 0.000 -7.032) 7.497 12.005 ( 3.774 0.000 -12.560) 13.115 12.264 ( 2.339 0.000 5.692) 6.154 12.370 ( -0.370 0.000 -5.202) 5.215 12.575 ( -6.569 0.000 5.501) 8.568 12.641 ( -7.068 0.000 -2.448) 7.480 12.721 ( -4.054 0.000 1.477) 4.314 12.772 ( -1.452 0.000 -2.163) 2.605 12.853 ( 8.411 0.000 -1.477) 8.540 12.856 ( 8.730 0.000 -2.404) 9.055 13.162 ( 13.594 0.000 4.124) 14.206 13.232 ( 14.919 0.000 -2.943) 15.207 13.351 ( 25.657 0.000 5.631) 26.268 13.466 ( 21.928 0.000 -5.651) 22.644 13.525 ( 2.717 0.000 1.259) 2.995 13.548 ( 6.557 0.000 -0.272) 6.563 13.589 ( 0.721 0.000 5.212) 5.261 13.703 ( 4.753 0.000 -4.049) 6.244 13.808 ( 4.910 0.000 -2.966) 5.736 13.848 ( 1.230 0.000 -4.082) 4.263 14.046 ( 14.401 0.000 9.805) 17.422 14.242 ( 17.233 0.000 -11.882) 20.933 14.827 ( -1.286 0.000 4.543) 4.721 14.904 ( -3.198 0.000 -3.732) 4.914 15.050 ( -6.423 0.000 3.499) 7.314 15.099 ( -6.794 0.000 -2.039) 7.094 15.228 ( -5.809 0.000 1.348) 5.963 15.251 ( -5.075 0.000 -1.049) 5.182 15.832 ( -12.308 0.000 3.104) 12.693 15.905 ( -16.288 0.000 -4.583) 16.921 16.792 ( -15.152 0.000 2.890) 15.425 16.836 ( -14.281 0.000 -1.615) 14.372 16.865 ( -14.725 0.000 1.184) 14.772 16.870 ( -12.871 0.000 0.638) 12.887 19.801 ( -0.890 0.000 4.200) 4.293 19.864 ( -0.806 0.000 7.458) 7.501 19.884 ( 0.129 0.000 -4.433) 4.435 20.020 ( 1.411 0.000 -8.640) 8.754 20.128 ( 0.770 0.000 7.093) 7.134 20.183 ( 0.237 0.000 -0.407) 0.471 20.238 ( -4.123 0.000 2.832) 5.002 20.352 ( 0.628 0.000 -8.923) 8.945 20.528 ( 0.330 0.000 6.982) 6.990 20.672 ( -1.968 0.000 -7.764) 8.010 20.931 ( -9.501 0.000 2.779) 9.899 20.968 ( -7.686 0.000 -1.458) 7.823 21.153 ( 6.719 0.000 4.591) 8.138 21.261 ( 3.116 0.000 -6.748) 7.433 21.358 ( 6.203 0.000 1.414) 6.362 21.366 ( 1.463 0.000 0.575) 1.572 21.633 ( 2.865 0.000 11.337) 11.694 21.815 ( 1.447 0.000 -0.821) 1.664 21.891 ( 5.709 0.000 -5.083) 7.644 22.003 ( 5.505 0.000 -9.367) 10.865 22.454 ( -1.424 0.000 2.942) 3.268 22.496 ( -3.980 0.000 -0.205) 3.985 22.519 ( -0.706 0.000 0.172) 0.727 22.533 ( -1.805 0.000 -0.357) 1.840 22.926 ( 0.130 0.000 2.313) 2.316 22.942 ( -1.620 0.000 0.765) 1.791 23.019 ( -2.044 0.000 1.709) 2.664 23.029 ( -1.006 0.000 2.086) 2.316 23.041 ( 0.169 0.000 -0.436) 0.467 23.054 ( -1.040 0.000 -0.439) 1.129 23.172 ( -4.426 0.000 4.274) 6.153 23.279 ( -9.546 0.000 -7.023) 11.851 ======================= Grid point 57 (24/30) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 12.783 0.000 1.786) 12.907 1.544 ( 8.644 0.000 -4.036) 9.540 1.616 ( 3.397 0.000 2.401) 4.160 1.660 ( 4.900 0.000 0.434) 4.920 1.697 ( -0.830 0.000 1.188) 1.449 1.765 ( -0.534 0.000 -3.907) 3.943 1.855 ( 8.566 0.000 3.471) 9.243 1.937 ( 8.183 0.000 -5.164) 9.676 2.018 ( -0.430 0.000 1.800) 1.851 2.060 ( 1.799 0.000 -3.076) 3.563 2.256 ( -0.263 0.000 3.674) 3.684 2.326 ( 1.645 0.000 -4.100) 4.418 2.350 ( 2.473 0.000 6.747) 7.186 2.417 ( 1.453 0.000 -1.609) 2.168 2.437 ( 0.332 0.000 1.508) 1.544 2.522 ( 0.729 0.000 -5.314) 5.363 2.606 ( 3.177 0.000 -0.534) 3.221 2.617 ( 1.457 0.000 -1.521) 2.106 2.745 ( 3.024 0.000 1.617) 3.429 2.766 ( 5.573 0.000 -0.469) 5.593 2.777 ( -1.752 0.000 1.487) 2.297 2.803 ( -2.598 0.000 -1.752) 3.134 2.938 ( 2.154 0.000 0.392) 2.189 2.944 ( 0.481 0.000 -0.521) 0.708 3.132 ( -4.430 0.000 7.981) 9.128 3.190 ( 0.141 0.000 4.447) 4.449 3.222 ( -2.307 0.000 2.933) 3.732 3.290 ( -6.839 0.000 -5.745) 8.932 3.338 ( -5.376 0.000 0.324) 5.386 3.354 ( -6.242 0.000 1.090) 6.337 3.385 ( -3.610 0.000 0.821) 3.703 3.437 ( -2.763 0.000 -2.582) 3.782 3.563 ( -1.065 0.000 4.143) 4.278 3.565 ( 6.213 0.000 7.490) 9.731 3.651 ( 3.339 0.000 4.764) 5.817 3.675 ( 3.601 0.000 -1.638) 3.956 3.716 ( 3.885 0.000 -2.010) 4.374 3.719 ( 7.865 0.000 -1.820) 8.073 3.766 ( 8.845 0.000 0.103) 8.846 3.793 ( 7.790 0.000 -6.003) 9.835 3.830 ( 7.889 0.000 -0.889) 7.939 3.909 ( 7.266 0.000 -5.828) 9.315 4.064 ( 5.819 0.000 1.417) 5.989 4.078 ( 7.587 0.000 0.470) 7.602 4.271 ( 5.022 0.000 0.242) 5.027 4.304 ( 1.116 0.000 -3.650) 3.817 4.389 ( 1.503 0.000 1.844) 2.379 4.390 ( 3.564 0.000 1.282) 3.787 4.564 ( -2.816 0.000 3.451) 4.454 4.572 ( 2.916 0.000 1.681) 3.366 4.623 ( 2.711 0.000 2.792) 3.892 4.700 ( -0.931 0.000 -4.958) 5.044 4.763 ( 0.386 0.000 2.644) 2.672 4.838 ( -1.981 0.000 -3.111) 3.688 4.958 ( -4.221 0.000 3.583) 5.537 4.982 ( -3.174 0.000 3.627) 4.820 5.088 ( -0.204 0.000 -1.285) 1.301 5.188 ( 1.494 0.000 -10.270) 10.378 5.361 ( 0.283 0.000 2.939) 2.953 5.387 ( 3.464 0.000 0.023) 3.464 5.432 ( -4.911 0.000 3.456) 6.005 5.484 ( -5.160 0.000 -2.083) 5.565 5.571 ( -4.429 0.000 2.617) 5.145 5.606 ( -5.373 0.000 -0.068) 5.374 5.684 ( -0.861 0.000 8.095) 8.140 5.733 ( -0.764 0.000 2.404) 2.523 5.782 ( 0.234 0.000 -2.312) 2.324 5.846 ( -4.669 0.000 -6.040) 7.634 5.890 ( -2.075 0.000 1.616) 2.630 5.912 ( -1.553 0.000 -1.643) 2.261 5.927 ( -0.293 0.000 0.834) 0.884 5.971 ( -2.686 0.000 -4.854) 5.548 5.987 ( 0.541 0.000 5.264) 5.291 6.086 ( -2.214 0.000 -4.310) 4.845 6.098 ( -7.830 0.000 2.274) 8.154 6.126 ( -8.059 0.000 0.973) 8.118 6.319 ( 0.402 0.000 -1.564) 1.615 6.328 ( 1.735 0.000 -4.074) 4.428 6.417 ( -0.075 0.000 4.066) 4.067 6.472 ( -2.115 0.000 -1.481) 2.582 6.939 ( 4.353 0.000 4.563) 6.306 7.078 ( 1.592 0.000 -9.530) 9.662 7.183 ( -3.185 0.000 1.303) 3.441 7.202 ( -3.048 0.000 -0.104) 3.050 7.363 ( 0.627 0.000 3.399) 3.457 7.377 ( 2.265 0.000 -0.401) 2.300 7.393 ( 0.933 0.000 1.671) 1.914 7.498 ( 0.882 0.000 -8.095) 8.143 7.949 ( 7.244 0.000 5.182) 8.906 8.059 ( 3.467 0.000 -5.200) 6.250 8.151 ( 2.944 0.000 0.605) 3.005 8.207 ( 1.802 0.000 -3.505) 3.941 8.314 ( -0.434 0.000 2.854) 2.887 8.318 ( -0.167 0.000 1.289) 1.299 8.554 ( -4.510 0.000 -1.102) 4.643 8.562 ( -1.127 0.000 -0.342) 1.178 8.658 ( -1.109 0.000 5.503) 5.614 8.688 ( -0.010 0.000 3.881) 3.881 8.756 ( 1.008 0.000 0.855) 1.322 8.774 ( -0.981 0.000 -2.563) 2.745 9.252 ( -3.165 0.000 4.403) 5.422 9.304 ( 0.994 0.000 -1.595) 1.880 9.398 ( -10.827 0.000 10.330) 14.964 9.553 ( -5.617 0.000 -5.667) 7.979 9.704 ( 2.371 0.000 2.243) 3.263 9.772 ( 4.274 0.000 -4.059) 5.894 9.986 ( -4.212 0.000 -0.596) 4.254 10.025 ( -3.716 0.000 -3.588) 5.165 10.131 ( 2.338 0.000 2.112) 3.151 10.176 ( 4.123 0.000 -2.730) 4.945 10.240 ( 9.053 0.000 4.433) 10.080 10.328 ( 10.060 0.000 -4.453) 11.001 10.481 ( -6.436 0.000 0.831) 6.489 10.507 ( -5.962 0.000 -2.220) 6.361 10.595 ( -3.358 0.000 3.610) 4.931 10.645 ( -3.072 0.000 -2.052) 3.694 10.949 ( 4.435 0.000 4.605) 6.394 11.017 ( 8.894 0.000 -2.668) 9.286 11.140 ( -1.684 0.000 4.045) 4.382 11.243 ( -5.374 0.000 -7.004) 8.828 11.532 ( -1.343 0.000 7.045) 7.171 11.658 ( 1.289 0.000 -6.373) 6.502 11.733 ( 5.286 0.000 7.638) 9.289 11.815 ( 2.752 0.000 -1.608) 3.187 11.843 ( 2.184 0.000 1.676) 2.752 11.899 ( 2.331 0.000 7.382) 7.741 11.917 ( 4.030 0.000 -6.139) 7.343 12.077 ( 2.437 0.000 -10.739) 11.012 12.314 ( 1.837 0.000 3.405) 3.868 12.366 ( -0.327 0.000 -2.286) 2.310 12.448 ( -5.155 0.000 3.348) 6.147 12.522 ( -4.421 0.000 -4.574) 6.361 12.669 ( -0.012 0.000 2.118) 2.118 12.736 ( 0.003 0.000 -4.587) 4.587 12.934 ( -0.262 0.000 -0.059) 0.269 12.946 ( 0.393 0.000 -1.310) 1.368 13.391 ( 6.849 0.000 4.111) 7.988 13.448 ( 5.506 0.000 -1.962) 5.845 13.622 ( 3.288 0.000 3.876) 5.083 13.624 ( 6.499 0.000 2.002) 6.800 13.698 ( 1.844 0.000 4.505) 4.868 13.702 ( 6.200 0.000 0.586) 6.227 13.808 ( 2.519 0.000 -4.580) 5.227 13.812 ( -0.736 0.000 -3.194) 3.277 14.074 ( 34.556 0.000 5.744) 35.030 14.215 ( 29.561 0.000 -9.520) 31.056 14.471 ( 25.469 0.000 8.483) 26.845 14.618 ( 16.950 0.000 -6.636) 18.203 14.848 ( 4.144 0.000 1.552) 4.425 14.874 ( 1.802 0.000 -1.124) 2.124 14.973 ( 0.099 0.000 3.054) 3.056 15.004 ( -0.611 0.000 -0.318) 0.689 15.130 ( -3.580 0.000 1.430) 3.855 15.200 ( 2.238 0.000 -6.041) 6.442 15.552 ( -16.576 0.000 -0.728) 16.592 15.560 ( -12.521 0.000 -1.802) 12.650 16.390 ( -23.275 0.000 4.205) 23.652 16.460 ( -21.686 0.000 -3.160) 21.915 16.480 ( -22.104 0.000 3.074) 22.316 16.531 ( -19.389 0.000 -2.334) 19.529 19.801 ( 1.102 0.000 5.568) 5.676 19.885 ( 2.486 0.000 9.809) 10.119 19.906 ( 2.069 0.000 -5.454) 5.834 20.076 ( 3.484 0.000 -9.659) 10.268 20.096 ( -6.638 0.000 4.880) 8.239 20.144 ( -1.741 0.000 11.271) 11.405 20.160 ( -2.768 0.000 -2.745) 3.898 20.355 ( -0.952 0.000 -11.367) 11.407 20.562 ( 1.801 0.000 2.442) 3.034 20.639 ( -0.534 0.000 -5.490) 5.516 20.740 ( -6.516 0.000 4.488) 7.912 20.820 ( -5.086 0.000 -4.137) 6.556 21.193 ( -1.231 0.000 3.141) 3.373 21.256 ( -1.269 0.000 -3.425) 3.652 21.348 ( -3.351 0.000 4.250) 5.412 21.423 ( -1.256 0.000 -4.134) 4.320 21.761 ( 8.264 0.000 11.138) 13.869 21.906 ( 6.546 0.000 3.258) 7.312 22.019 ( 5.274 0.000 -6.294) 8.212 22.098 ( 2.028 0.000 -6.914) 7.205 22.440 ( -0.366 0.000 -0.101) 0.380 22.443 ( 0.126 0.000 0.004) 0.126 22.505 ( -0.936 0.000 0.073) 0.939 22.520 ( 0.454 0.000 -1.337) 1.412 22.921 ( -0.267 0.000 1.151) 1.182 22.930 ( 0.288 0.000 0.211) 0.357 22.991 ( -0.341 0.000 2.212) 2.238 23.011 ( -0.965 0.000 0.563) 1.117 23.031 ( -1.526 0.000 0.163) 1.535 23.034 ( -1.264 0.000 -0.179) 1.276 23.088 ( -3.462 0.000 0.399) 3.485 23.108 ( -5.800 0.000 -2.156) 6.187 ======================= Grid point 58 (25/30) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.365 0.000 1.515) 2.809 1.647 ( 2.089 0.000 1.785) 2.747 1.689 ( -1.407 0.000 2.008) 2.451 1.705 ( -0.230 0.000 0.709) 0.745 1.753 ( 5.720 0.000 0.991) 5.805 1.793 ( 9.842 0.000 -2.586) 10.176 1.908 ( -5.861 0.000 3.485) 6.818 1.978 ( -6.316 0.000 -4.085) 7.522 2.078 ( 7.726 0.000 1.412) 7.854 2.147 ( 8.871 0.000 -6.142) 10.790 2.211 ( -3.998 0.000 2.884) 4.930 2.306 ( -4.320 0.000 -7.014) 8.238 2.386 ( 0.663 0.000 3.213) 3.280 2.404 ( -1.915 0.000 1.369) 2.354 2.438 ( 0.259 0.000 -3.273) 3.284 2.459 ( -2.914 0.000 -3.500) 4.554 2.708 ( 4.210 0.000 0.229) 4.216 2.724 ( 1.034 0.000 2.358) 2.575 2.728 ( 6.032 0.000 -1.252) 6.161 2.779 ( 0.848 0.000 -2.403) 2.548 2.874 ( 3.175 0.000 1.860) 3.680 2.896 ( 5.759 0.000 -0.001) 5.759 2.947 ( -3.271 0.000 3.107) 4.512 2.955 ( -0.138 0.000 1.670) 1.676 3.057 ( -0.361 0.000 0.379) 0.523 3.103 ( -5.978 0.000 -3.008) 6.692 3.119 ( -5.743 0.000 0.761) 5.793 3.128 ( -5.874 0.000 -1.054) 5.967 3.295 ( 0.902 0.000 4.638) 4.725 3.309 ( 1.503 0.000 2.409) 2.840 3.339 ( -1.513 0.000 -0.361) 1.555 3.361 ( -3.209 0.000 -0.456) 3.241 3.562 ( 1.487 0.000 -0.761) 1.671 3.568 ( 0.395 0.000 -0.165) 0.428 3.624 ( -3.394 0.000 0.152) 3.397 3.635 ( -4.890 0.000 -2.181) 5.354 3.858 ( 8.683 0.000 3.787) 9.473 3.878 ( 7.281 0.000 0.591) 7.305 3.973 ( 0.830 0.000 5.424) 5.487 3.983 ( 3.811 0.000 0.867) 3.909 4.034 ( 2.397 0.000 0.711) 2.500 4.040 ( 9.702 0.000 -3.240) 10.229 4.095 ( 0.498 0.000 1.489) 1.570 4.141 ( -0.699 0.000 -2.181) 2.290 4.360 ( 4.578 0.000 -0.248) 4.585 4.383 ( 4.578 0.000 -1.746) 4.899 4.440 ( -0.829 0.000 1.337) 1.573 4.442 ( 1.217 0.000 1.930) 2.282 4.582 ( 5.226 0.000 3.508) 6.294 4.591 ( 1.102 0.000 3.030) 3.224 4.659 ( -0.570 0.000 4.009) 4.049 4.660 ( -2.753 0.000 3.663) 4.582 4.798 ( -1.204 0.000 -0.043) 1.205 4.846 ( -5.527 0.000 2.186) 5.943 4.860 ( 4.838 0.000 -7.354) 8.802 4.932 ( -1.863 0.000 -5.486) 5.794 5.135 ( 4.175 0.000 3.361) 5.359 5.232 ( 2.833 0.000 -5.495) 6.182 5.241 ( -6.302 0.000 4.637) 7.824 5.334 ( -5.735 0.000 -5.540) 7.973 5.442 ( 1.775 0.000 2.363) 2.955 5.479 ( 2.621 0.000 -1.370) 2.958 5.489 ( -3.892 0.000 2.593) 4.677 5.516 ( -1.380 0.000 -0.360) 1.426 5.692 ( 2.766 0.000 5.557) 6.207 5.743 ( 2.646 0.000 2.700) 3.781 5.789 ( -1.849 0.000 2.723) 3.291 5.811 ( -0.198 0.000 2.334) 2.342 5.851 ( -2.009 0.000 -3.474) 4.013 5.874 ( -1.509 0.000 -0.647) 1.642 5.905 ( -2.782 0.000 0.951) 2.939 5.933 ( -1.233 0.000 0.012) 1.233 5.943 ( -6.274 0.000 -2.260) 6.668 5.969 ( 0.235 0.000 -2.743) 2.753 5.980 ( -2.304 0.000 0.789) 2.436 6.025 ( -3.672 0.000 -3.884) 5.345 6.353 ( 2.728 0.000 -0.202) 2.735 6.376 ( 2.473 0.000 -2.999) 3.887 6.405 ( -1.594 0.000 1.170) 1.977 6.425 ( -2.258 0.000 -1.201) 2.558 7.025 ( 3.837 0.000 1.823) 4.248 7.104 ( 1.155 0.000 -5.676) 5.792 7.105 ( -3.866 0.000 0.578) 3.909 7.140 ( -2.438 0.000 -2.127) 3.236 7.381 ( 0.886 0.000 3.548) 3.657 7.397 ( -0.482 0.000 3.175) 3.211 7.433 ( 2.856 0.000 -3.723) 4.693 7.486 ( -1.883 0.000 -6.852) 7.106 8.108 ( 6.883 0.000 1.971) 7.160 8.122 ( 2.453 0.000 -0.431) 2.491 8.163 ( -1.314 0.000 1.231) 1.800 8.207 ( -2.375 0.000 -1.985) 3.096 8.332 ( 3.035 0.000 2.718) 4.074 8.388 ( 5.966 0.000 -2.167) 6.348 8.432 ( -5.860 0.000 4.344) 7.294 8.505 ( -4.368 0.000 -1.472) 4.609 8.663 ( 1.691 0.000 2.617) 3.115 8.695 ( 0.972 0.000 0.047) 0.973 8.724 ( -3.364 0.000 0.794) 3.457 8.740 ( -2.680 0.000 -0.465) 2.720 9.211 ( -0.628 0.000 9.753) 9.773 9.238 ( -3.944 0.000 13.330) 13.901 9.355 ( 3.714 0.000 -5.173) 6.368 9.448 ( -4.809 0.000 -8.150) 9.463 9.782 ( 4.934 0.000 1.161) 5.068 9.841 ( 2.392 0.000 -5.458) 5.959 9.891 ( -3.236 0.000 -1.150) 3.435 9.903 ( -6.403 0.000 -1.415) 6.557 10.214 ( 5.577 0.000 2.908) 6.289 10.273 ( 5.202 0.000 -3.429) 6.231 10.347 ( -6.565 0.000 1.504) 6.735 10.388 ( -5.582 0.000 -2.836) 6.261 10.412 ( 6.642 0.000 5.114) 8.382 10.508 ( 6.262 0.000 -5.077) 8.062 10.521 ( -3.997 0.000 4.400) 5.944 10.594 ( -2.516 0.000 -3.881) 4.625 11.025 ( 3.014 0.000 2.748) 4.079 11.082 ( -0.014 0.000 -2.321) 2.321 11.106 ( -1.794 0.000 -1.742) 2.500 11.112 ( -5.757 0.000 -1.521) 5.954 11.600 ( 6.959 0.000 7.696) 10.376 11.733 ( 5.219 0.000 -6.448) 8.296 11.741 ( -5.044 0.000 5.232) 7.268 11.825 ( -2.431 0.000 -3.533) 4.289 11.896 ( 4.295 0.000 5.941) 7.331 11.947 ( 0.071 0.000 6.600) 6.600 12.014 ( 4.754 0.000 -6.553) 8.096 12.087 ( -1.690 0.000 -8.307) 8.477 12.335 ( 0.808 0.000 2.041) 2.195 12.368 ( -2.529 0.000 3.390) 4.230 12.373 ( 1.660 0.000 -2.109) 2.684 12.436 ( -3.912 0.000 -3.627) 5.335 12.733 ( 5.545 0.000 1.924) 5.870 12.791 ( 4.675 0.000 -4.163) 6.260 12.862 ( -5.771 0.000 1.147) 5.884 12.896 ( -4.495 0.000 -2.372) 5.082 13.527 ( 6.992 0.000 2.230) 7.339 13.555 ( 5.345 0.000 -0.712) 5.392 13.658 ( -3.732 0.000 1.538) 4.037 13.661 ( -3.306 0.000 1.257) 3.537 13.735 ( 0.768 0.000 1.895) 2.045 13.755 ( 4.424 0.000 -0.197) 4.428 13.775 ( -1.196 0.000 2.017) 2.345 13.820 ( -1.449 0.000 -2.598) 2.975 14.653 ( 11.126 0.000 1.458) 11.221 14.694 ( 17.512 0.000 -2.985) 17.764 14.789 ( -1.800 0.000 2.125) 2.785 14.836 ( 3.054 0.000 -2.915) 4.222 14.990 ( 5.721 0.000 1.553) 5.929 15.028 ( 1.200 0.000 -1.982) 2.317 15.087 ( 11.972 0.000 1.150) 12.027 15.097 ( 3.961 0.000 0.238) 3.968 15.245 ( 10.015 0.000 5.797) 11.572 15.342 ( 16.926 0.000 10.060) 19.690 15.363 ( 15.535 0.000 -6.734) 16.932 15.550 ( 19.348 0.000 -11.904) 22.717 15.825 ( -29.760 0.000 6.123) 30.383 15.934 ( -27.547 0.000 -5.475) 28.085 15.944 ( -28.482 0.000 6.434) 29.200 16.067 ( -24.291 0.000 -6.601) 25.172 19.851 ( 3.689 0.000 6.779) 7.718 19.952 ( -3.616 0.000 8.496) 9.234 19.965 ( 2.221 0.000 9.482) 9.739 19.970 ( 3.965 0.000 -5.797) 7.023 20.064 ( -4.666 0.000 -4.560) 6.524 20.071 ( -5.131 0.000 11.337) 12.444 20.176 ( 4.903 0.000 -11.703) 12.688 20.287 ( -5.118 0.000 -11.553) 12.636 20.600 ( 2.510 0.000 2.745) 3.720 20.660 ( -2.715 0.000 4.019) 4.850 20.671 ( 3.432 0.000 -4.964) 6.035 20.747 ( -3.139 0.000 -5.332) 6.187 21.180 ( 1.265 0.000 4.536) 4.709 21.252 ( -4.902 0.000 5.352) 7.258 21.262 ( 2.394 0.000 -4.229) 4.859 21.346 ( -4.844 0.000 -4.853) 6.857 21.933 ( 7.516 0.000 7.473) 10.599 22.033 ( 4.625 0.000 0.235) 4.631 22.063 ( -4.620 0.000 1.483) 4.852 22.081 ( 0.318 0.000 -3.499) 3.513 22.457 ( 1.217 0.000 -0.421) 1.288 22.479 ( 2.856 0.000 -2.745) 3.961 22.485 ( -1.167 0.000 0.909) 1.479 22.520 ( -0.850 0.000 -2.466) 2.609 22.929 ( 1.029 0.000 1.018) 1.447 22.945 ( 1.281 0.000 -0.622) 1.424 22.966 ( -2.526 0.000 1.103) 2.756 22.981 ( -1.708 0.000 -0.333) 1.740 23.007 ( 0.382 0.000 0.979) 1.051 23.019 ( 0.358 0.000 -0.093) 0.370 23.032 ( -1.864 0.000 0.030) 1.865 23.042 ( -1.697 0.000 -1.048) 1.994 ======================= Grid point 63 (26/30) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 0.000 1.855 21.289) 21.369 1.046 ( 0.000 5.520 16.145) 17.062 1.219 ( 0.000 -2.587 9.236) 9.591 1.316 ( 0.000 2.073 -14.287) 14.436 1.347 ( 0.000 -0.080 -14.220) 14.220 1.444 ( 0.000 -14.839 12.780) 19.584 1.486 ( 0.000 7.152 -16.707) 18.174 1.672 ( 0.000 -7.994 -11.260) 13.810 1.824 ( 0.000 17.708 17.359) 24.797 2.024 ( 0.000 8.247 -0.839) 8.290 2.039 ( 0.000 2.196 2.097) 3.037 2.067 ( 0.000 5.236 -2.171) 5.668 2.181 ( 0.000 -3.943 -2.094) 4.465 2.218 ( 0.000 -8.291 6.783) 10.712 2.257 ( 0.000 0.579 -10.756) 10.771 2.349 ( 0.000 -6.782 -6.422) 9.340 2.394 ( 0.000 8.229 4.687) 9.470 2.503 ( 0.000 6.682 -6.883) 9.593 2.570 ( 0.000 -5.956 4.467) 7.445 2.638 ( 0.000 -5.387 -2.777) 6.061 2.786 ( 0.000 -1.382 3.238) 3.520 2.842 ( 0.000 -8.882 7.640) 11.716 2.885 ( 0.000 1.366 -7.266) 7.394 2.970 ( 0.000 -5.943 -6.197) 8.586 3.105 ( 0.000 3.090 9.746) 10.224 3.161 ( 0.000 -0.449 5.231) 5.250 3.213 ( 0.000 2.281 -0.495) 2.334 3.239 ( 0.000 0.060 -3.895) 3.896 3.300 ( 0.000 0.678 11.095) 11.116 3.321 ( 0.000 -1.101 6.370) 6.464 3.370 ( 0.000 -0.203 3.374) 3.380 3.385 ( 0.000 -1.078 0.256) 1.108 3.458 ( 0.000 0.018 1.759) 1.759 3.469 ( 0.000 -0.395 4.250) 4.268 3.484 ( 0.000 -0.019 3.691) 3.691 3.517 ( 0.000 -2.543 7.982) 8.377 3.546 ( 0.000 1.568 -4.351) 4.625 3.586 ( 0.000 -1.509 -3.682) 3.980 3.664 ( 0.000 4.283 -6.906) 8.126 3.761 ( 0.000 -4.118 -12.426) 13.090 3.787 ( 0.000 9.266 -3.384) 9.864 3.855 ( 0.000 4.026 -9.728) 10.528 3.912 ( 0.000 -3.346 -1.475) 3.656 3.981 ( 0.000 -5.623 -7.260) 9.183 4.370 ( 0.000 5.910 4.437) 7.390 4.453 ( 0.000 5.234 -4.194) 6.707 4.480 ( 0.000 -2.885 5.021) 5.791 4.563 ( 0.000 -0.459 -3.496) 3.526 4.638 ( 0.000 2.034 4.132) 4.605 4.705 ( 0.000 2.236 3.414) 4.081 4.717 ( 0.000 2.685 -3.812) 4.663 4.775 ( 0.000 0.049 -3.339) 3.340 4.847 ( 0.000 -6.356 6.398) 9.019 4.868 ( 0.000 -4.681 3.472) 5.828 4.930 ( 0.000 -6.497 -2.338) 6.905 4.949 ( 0.000 -9.102 -3.843) 9.880 5.151 ( 0.000 4.033 4.547) 6.078 5.209 ( 0.000 -1.110 3.373) 3.551 5.235 ( 0.000 3.344 -4.430) 5.550 5.266 ( 0.000 0.494 -2.699) 2.744 5.613 ( 0.000 4.054 6.264) 7.461 5.655 ( 0.000 1.575 5.279) 5.509 5.676 ( 0.000 4.190 1.053) 4.320 5.716 ( 0.000 2.641 -0.371) 2.666 5.737 ( 0.000 -3.065 5.017) 5.879 5.764 ( 0.000 -1.491 2.465) 2.881 5.815 ( 0.000 0.516 -1.727) 1.802 5.837 ( 0.000 0.340 1.334) 1.377 5.846 ( 0.000 2.664 -0.862) 2.800 5.964 ( 0.000 -5.152 3.543) 6.253 5.975 ( 0.000 1.551 -6.994) 7.164 6.006 ( 0.000 -1.813 1.464) 2.331 6.236 ( 0.000 5.503 -1.091) 5.610 6.315 ( 0.000 -1.606 -0.649) 1.733 6.333 ( 0.000 0.347 -6.983) 6.992 6.343 ( 0.000 -0.431 -2.134) 2.177 6.414 ( 0.000 0.775 2.894) 2.996 6.445 ( 0.000 -1.270 2.555) 2.853 6.474 ( 0.000 -0.699 -1.097) 1.301 6.475 ( 0.000 -0.179 -4.041) 4.045 6.856 ( 0.000 4.442 6.543) 7.909 6.980 ( 0.000 3.018 -7.178) 7.786 6.991 ( 0.000 -7.041 5.190) 8.747 7.065 ( 0.000 -4.214 -2.670) 4.989 7.311 ( 0.000 1.212 7.283) 7.383 7.329 ( 0.000 -0.605 5.787) 5.819 7.404 ( 0.000 3.833 -0.999) 3.961 7.435 ( 0.000 1.107 -5.378) 5.491 7.868 ( 0.000 4.883 4.366) 6.551 8.003 ( 0.000 6.939 -6.316) 9.383 8.023 ( 0.000 -8.359 5.883) 10.221 8.171 ( 0.000 -6.305 -9.364) 11.289 8.283 ( 0.000 1.667 0.295) 1.693 8.318 ( 0.000 -2.214 4.024) 4.593 8.323 ( 0.000 1.518 -4.353) 4.610 8.371 ( 0.000 -1.856 -1.432) 2.344 8.682 ( 0.000 0.405 2.683) 2.714 8.752 ( 0.000 -6.745 7.333) 9.963 8.807 ( 0.000 4.142 -10.234) 11.041 8.913 ( 0.000 -5.522 -10.121) 11.529 9.277 ( 0.000 3.282 2.636) 4.210 9.295 ( 0.000 0.893 3.061) 3.189 9.318 ( 0.000 3.814 -2.229) 4.418 9.340 ( 0.000 0.909 -2.001) 2.197 9.795 ( 0.000 8.924 2.980) 9.409 9.824 ( 0.000 15.785 0.880) 15.810 9.825 ( 0.000 0.175 7.128) 7.130 9.949 ( 0.000 2.649 6.427) 6.951 9.979 ( 0.000 5.500 -7.488) 9.290 10.141 ( 0.000 -11.250 3.179) 11.691 10.149 ( 0.000 -4.109 -13.340) 13.958 10.241 ( 0.000 -9.634 -6.157) 11.433 10.503 ( 0.000 1.592 5.604) 5.826 10.579 ( 0.000 -3.661 6.202) 7.202 10.620 ( 0.000 0.233 -6.846) 6.850 10.692 ( 0.000 -4.609 -5.593) 7.247 10.910 ( 0.000 1.511 2.374) 2.814 10.954 ( 0.000 3.480 -2.247) 4.142 10.967 ( 0.000 -2.847 4.959) 5.718 11.036 ( 0.000 -3.145 -2.610) 4.087 11.477 ( 0.000 5.683 15.918) 16.902 11.540 ( 0.000 0.473 11.099) 11.110 11.540 ( 0.000 3.551 18.266) 18.608 11.614 ( 0.000 -3.357 16.175) 16.520 11.797 ( 0.000 3.307 -10.652) 11.154 11.872 ( 0.000 -3.499 -14.781) 15.190 11.990 ( 0.000 0.023 -18.285) 18.285 11.995 ( 0.000 -0.143 -19.929) 19.930 12.259 ( 0.000 5.533 18.337) 19.153 12.418 ( 0.000 -4.189 12.929) 13.591 12.535 ( 0.000 10.148 -9.020) 13.578 12.541 ( 0.000 3.507 -1.454) 3.796 12.592 ( 0.000 -1.196 -0.064) 1.198 12.644 ( 0.000 -1.094 -3.456) 3.625 12.704 ( 0.000 -9.803 0.988) 9.853 12.767 ( 0.000 -6.550 -5.905) 8.818 12.889 ( 0.000 -4.225 7.717) 8.798 12.915 ( 0.000 -2.945 2.957) 4.174 12.985 ( 0.000 -0.920 -3.866) 3.974 13.026 ( 0.000 -7.138 -5.674) 9.118 13.487 ( 0.000 2.812 2.179) 3.558 13.516 ( 0.000 1.635 2.017) 2.597 13.522 ( 0.000 3.139 -1.382) 3.430 13.580 ( 0.000 1.000 -5.132) 5.229 13.636 ( 0.000 1.491 9.885) 9.997 13.712 ( 0.000 -3.286 6.674) 7.439 13.795 ( 0.000 0.457 -7.154) 7.169 13.831 ( 0.000 -2.086 -5.439) 5.825 14.939 ( 0.000 4.433 7.825) 8.993 15.069 ( 0.000 -7.168 7.990) 10.734 15.073 ( 0.000 5.536 -6.694) 8.686 15.190 ( 0.000 -3.800 -5.472) 6.662 15.662 ( 0.000 13.828 11.192) 17.790 15.919 ( 0.000 21.289 -17.892) 27.809 15.974 ( 0.000 -12.185 13.294) 18.033 16.242 ( 0.000 -8.073 -15.953) 17.879 17.112 ( 0.000 0.709 2.615) 2.710 17.130 ( 0.000 -0.823 3.407) 3.505 17.159 ( 0.000 1.074 -2.201) 2.449 17.180 ( 0.000 -0.683 -1.483) 1.633 19.858 ( 0.000 1.330 3.547) 3.788 19.918 ( 0.000 -3.499 5.416) 6.449 19.932 ( 0.000 2.928 -3.642) 4.673 19.999 ( 0.000 -3.146 -2.515) 4.028 20.202 ( 0.000 0.925 4.699) 4.789 20.236 ( 0.000 -1.999 2.838) 3.471 20.293 ( 0.000 0.309 -5.585) 5.593 20.306 ( 0.000 -0.988 -4.838) 4.938 20.623 ( 0.000 6.011 1.466) 6.187 20.667 ( 0.000 5.586 -2.727) 6.216 20.750 ( 0.000 -4.586 1.464) 4.814 20.762 ( 0.000 -3.100 0.420) 3.128 21.077 ( 0.000 8.752 0.382) 8.760 21.122 ( 0.000 3.084 -5.168) 6.018 21.232 ( 0.000 -7.070 4.036) 8.141 21.289 ( 0.000 -7.992 -1.271) 8.092 21.667 ( 0.000 2.677 7.627) 8.083 21.761 ( 0.000 -5.899 2.855) 6.554 21.828 ( 0.000 1.107 -9.389) 9.454 21.861 ( 0.000 -1.724 -7.348) 7.548 22.561 ( 0.000 0.788 4.175) 4.249 22.583 ( 0.000 -0.909 3.776) 3.884 22.594 ( 0.000 0.146 0.168) 0.222 22.598 ( 0.000 -0.242 1.304) 1.327 22.937 ( 0.000 1.241 4.044) 4.231 22.970 ( 0.000 -1.636 3.466) 3.833 22.989 ( 0.000 1.599 -1.906) 2.488 23.014 ( 0.000 -0.030 -1.673) 1.674 23.183 ( 0.000 2.310 8.835) 9.131 23.255 ( 0.000 -3.037 10.545) 10.973 23.369 ( 0.000 6.997 -11.502) 13.463 23.480 ( 0.000 -3.138 -13.111) 13.481 ======================= Grid point 64 (27/30) ======================= q-point: ( 0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 8.498 6.466 15.495) 18.818 1.224 ( 10.757 6.695 11.644) 17.208 1.248 ( 5.128 -6.429 5.168) 9.713 1.385 ( 4.532 -1.471 -8.868) 10.067 1.410 ( 6.456 1.627 -10.911) 12.782 1.527 ( 5.216 -4.933 2.340) 7.550 1.571 ( 8.627 -1.074 -7.960) 11.787 1.734 ( 4.446 -8.170 -10.477) 14.010 1.904 ( 6.424 11.865 11.225) 17.551 2.009 ( 0.703 6.056 -1.313) 6.236 2.091 ( 3.200 0.078 3.230) 4.548 2.111 ( 2.589 1.477 0.191) 2.987 2.183 ( 3.967 -1.671 3.604) 5.614 2.302 ( 4.998 0.512 -6.537) 8.245 2.319 ( 1.566 3.325 1.030) 3.817 2.323 ( 3.671 -6.494 -0.258) 7.464 2.477 ( 6.194 0.830 -0.440) 6.265 2.528 ( 2.912 4.939 -5.247) 7.772 2.568 ( 0.694 -3.528 2.392) 4.318 2.628 ( -0.828 -2.958 -3.674) 4.789 2.857 ( 5.836 -0.657 4.663) 7.499 2.918 ( 5.553 -6.178 5.346) 9.878 2.957 ( 4.602 0.716 -4.228) 6.290 3.001 ( 1.380 -2.688 -2.764) 4.095 3.144 ( 1.867 1.209 6.585) 6.950 3.152 ( -1.422 1.250 3.929) 4.361 3.181 ( -4.050 -0.793 3.506) 5.415 3.216 ( -3.999 -1.796 -0.340) 4.397 3.240 ( -0.080 1.563 6.691) 6.872 3.299 ( -2.522 -2.344 4.577) 5.728 3.349 ( 4.339 0.041 -0.739) 4.402 3.358 ( 4.194 0.065 0.650) 4.245 3.468 ( -1.292 1.787 0.970) 2.409 3.496 ( 0.410 2.486 3.048) 3.955 3.521 ( 2.188 -0.913 2.501) 3.446 3.544 ( 2.469 -0.734 4.004) 4.761 3.574 ( 1.867 0.483 1.725) 2.587 3.604 ( 1.414 -0.940 -1.932) 2.572 3.692 ( 2.167 3.298 -3.396) 5.206 3.775 ( 0.311 -0.660 -10.483) 10.508 3.780 ( -0.114 1.581 -5.865) 6.076 3.856 ( -0.621 3.301 -9.014) 9.620 3.876 ( -2.883 -4.782 0.199) 5.588 3.966 ( -1.590 -4.577 -8.464) 9.753 4.321 ( -3.198 5.850 2.794) 7.229 4.373 ( -6.278 4.696 -1.945) 8.078 4.433 ( -4.707 -2.443 1.783) 5.596 4.487 ( -5.588 -2.316 -3.947) 7.223 4.572 ( -3.066 5.275 1.560) 6.298 4.612 ( -5.047 4.846 -2.802) 7.537 4.749 ( -1.572 -6.545 1.773) 6.960 4.769 ( -1.816 -7.148 1.101) 7.457 4.848 ( 0.669 -0.441 2.015) 2.169 4.867 ( -0.066 0.235 2.778) 2.789 4.950 ( 3.389 -4.060 0.468) 5.310 5.001 ( 1.831 -6.011 -2.961) 6.946 5.158 ( 0.280 4.413 4.396) 6.236 5.206 ( -0.587 1.930 1.813) 2.712 5.253 ( 1.772 1.939 -2.046) 3.330 5.283 ( 1.298 -0.919 -3.362) 3.719 5.582 ( -1.953 3.691 3.623) 5.529 5.622 ( -3.507 3.324 0.893) 4.914 5.666 ( -1.247 -1.965 4.616) 5.170 5.700 ( -2.273 -4.047 1.752) 4.962 5.760 ( 0.692 2.411 3.214) 4.077 5.789 ( 2.679 0.249 1.724) 3.196 5.821 ( 2.341 2.689 1.276) 3.787 5.856 ( 0.885 3.497 -0.565) 3.651 5.868 ( -1.565 1.305 -2.171) 2.978 5.940 ( -1.420 -1.910 0.567) 2.447 5.967 ( 0.573 -3.054 -0.018) 3.107 5.998 ( 1.424 -4.050 -1.134) 4.440 6.197 ( -3.228 4.119 0.230) 5.238 6.257 ( -4.789 -0.986 0.680) 4.937 6.293 ( -4.129 1.496 -4.363) 6.191 6.326 ( -1.962 -1.113 -6.913) 7.271 6.421 ( -1.256 1.024 1.884) 2.485 6.435 ( -2.569 -0.012 0.762) 2.679 6.450 ( -0.870 0.489 1.053) 1.451 6.468 ( 0.401 -0.769 -0.911) 1.258 6.877 ( 2.030 6.064 6.769) 9.312 7.010 ( 2.815 2.189 -6.277) 7.219 7.048 ( 4.228 -6.916 1.915) 8.329 7.100 ( 3.036 -4.084 -2.001) 5.468 7.319 ( 0.967 1.538 6.600) 6.845 7.349 ( 1.121 -0.687 4.352) 4.546 7.414 ( 0.328 2.709 -0.712) 2.820 7.439 ( 0.502 0.785 -5.410) 5.490 7.868 ( 0.062 4.364 4.260) 6.099 7.987 ( -0.278 -1.732 1.657) 2.413 8.017 ( -0.715 -0.033 -4.552) 4.608 8.119 ( -2.325 -4.086 -7.155) 8.562 8.286 ( 0.765 1.151 3.593) 3.849 8.340 ( 2.518 1.380 0.487) 2.912 8.378 ( 4.512 -2.678 0.445) 5.266 8.437 ( 4.041 -3.117 -3.542) 6.212 8.680 ( 0.086 1.360 3.891) 4.122 8.747 ( -0.993 -4.595 5.887) 7.534 8.795 ( -1.525 3.342 -8.289) 9.067 8.865 ( -4.129 -3.080 -6.308) 8.144 9.353 ( 6.292 4.530 3.287) 8.421 9.401 ( 7.241 4.965 -1.350) 8.883 9.438 ( 9.184 -2.255 2.540) 9.792 9.480 ( 8.250 -1.687 -1.619) 8.575 9.734 ( -3.126 4.586 3.420) 6.520 9.757 ( -0.355 5.519 2.097) 5.915 9.851 ( -3.050 1.140 2.344) 4.012 9.923 ( -5.387 -1.071 -3.802) 6.679 9.991 ( 2.796 1.071 4.280) 5.223 10.025 ( -3.981 -5.062 4.201) 7.689 10.122 ( -0.895 -0.882 -6.451) 6.573 10.172 ( -0.010 -3.403 -10.819) 11.341 10.597 ( 9.139 6.625 6.012) 12.789 10.712 ( 8.286 6.554 -4.639) 11.538 10.790 ( 8.174 -8.752 7.429) 14.093 10.842 ( -6.031 2.758 0.579) 6.657 10.860 ( -3.849 3.494 -1.863) 5.522 10.887 ( -1.669 -5.708 0.511) 5.969 10.936 ( -5.798 -3.170 -0.091) 6.608 10.977 ( 7.599 -8.183 -6.338) 12.840 11.512 ( 2.761 3.476 13.554) 14.263 11.564 ( 3.605 3.673 13.026) 14.006 11.585 ( 1.556 -1.021 9.417) 9.599 11.621 ( 2.542 -0.384 11.256) 11.545 11.837 ( 2.940 3.766 -7.927) 9.256 11.889 ( 0.936 -1.633 -10.900) 11.061 11.982 ( -0.063 1.413 -15.528) 15.592 11.998 ( 0.420 0.663 -16.917) 16.936 12.271 ( 0.451 5.855 11.452) 12.870 12.402 ( -3.132 2.360 -1.186) 4.097 12.522 ( -2.275 -10.173 5.450) 11.763 12.566 ( -1.801 -7.107 0.891) 7.386 12.680 ( 7.315 4.596 0.183) 8.641 12.713 ( 9.953 5.040 -2.561) 11.447 12.812 ( 9.261 -0.648 2.386) 9.585 12.876 ( 11.946 -5.517 -2.279) 13.354 12.906 ( 0.531 2.122 -0.547) 2.255 12.919 ( 6.074 0.957 -0.320) 6.158 13.011 ( 2.916 -4.767 -2.321) 6.051 13.040 ( 3.168 -6.474 -3.610) 8.061 13.508 ( 1.827 2.761 0.207) 3.317 13.512 ( 1.690 4.701 -0.059) 4.996 13.576 ( 1.984 -0.591 1.575) 2.601 13.648 ( 4.332 -1.792 -6.162) 7.743 13.684 ( 4.575 -0.387 7.292) 8.617 13.748 ( 4.537 -3.939 7.410) 9.540 13.821 ( 2.289 0.879 -6.457) 6.907 13.873 ( 4.869 -3.625 -5.798) 8.394 14.917 ( -1.912 4.342 7.356) 8.753 15.032 ( -3.024 -0.226 0.865) 3.153 15.048 ( -2.539 -1.270 0.528) 2.887 15.150 ( -3.683 -3.919 -4.938) 7.301 15.572 ( -7.696 14.484 9.806) 19.109 15.780 ( -11.069 19.507 -11.945) 25.411 15.897 ( -7.348 -11.161 9.024) 16.124 16.115 ( -11.179 -8.753 -13.282) 19.442 17.038 ( -7.136 0.871 2.439) 7.592 17.060 ( -6.761 -0.977 2.781) 7.376 17.076 ( -7.581 0.989 -1.374) 7.768 17.096 ( -7.750 -0.643 -0.731) 7.811 19.838 ( -1.560 1.103 3.848) 4.296 19.881 ( -2.691 -2.502 5.147) 6.324 19.916 ( -1.093 2.104 -3.744) 4.431 19.975 ( -1.708 -3.136 -3.976) 5.345 20.174 ( -1.328 1.748 5.866) 6.263 20.194 ( -1.267 -0.203 2.956) 3.222 20.286 ( 0.652 1.330 -4.355) 4.600 20.316 ( 0.735 -1.539 -6.933) 7.139 20.647 ( -2.204 7.334 5.278) 9.300 20.724 ( 3.904 4.937 -2.714) 6.854 20.850 ( 5.021 -7.470 1.763) 9.172 20.882 ( 5.174 -8.175 -1.715) 9.825 21.083 ( 2.140 6.704 3.244) 7.749 21.174 ( 6.201 4.405 -6.826) 10.220 21.250 ( -0.615 -7.143 1.197) 7.269 21.271 ( 2.991 -4.057 -1.398) 5.230 21.666 ( 0.109 3.359 8.544) 9.181 21.761 ( 0.254 -5.075 4.827) 7.008 21.840 ( 1.381 2.146 -9.803) 10.130 21.888 ( 2.594 -2.007 -8.378) 8.997 22.524 ( -2.867 1.193 4.500) 5.468 22.548 ( -2.497 -0.751 3.658) 4.493 22.574 ( -2.019 0.209 -0.798) 2.181 22.577 ( -1.790 -0.008 0.179) 1.799 22.939 ( 0.172 1.347 4.082) 4.302 22.972 ( -0.154 -0.977 3.444) 3.583 22.996 ( 0.477 0.763 -0.980) 1.331 23.024 ( 0.669 -0.647 -1.431) 1.707 23.137 ( -3.345 3.207 5.676) 7.328 23.219 ( -3.199 -3.313 8.344) 9.531 23.259 ( -8.037 8.109 -7.170) 13.482 23.406 ( -6.996 -4.765 -11.243) 14.073 ======================= Grid point 65 (28/30) ======================= q-point: ( 0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 10.472 6.104 6.948) 13.971 1.395 ( 9.695 -1.783 4.469) 10.824 1.440 ( 5.391 1.772 -7.003) 9.013 1.488 ( 8.924 -1.560 -1.696) 9.217 1.613 ( 9.375 -0.657 0.771) 9.429 1.647 ( 6.258 -3.535 5.541) 9.075 1.744 ( 6.615 -0.175 -7.133) 9.730 1.806 ( 2.693 -3.952 -8.033) 9.349 2.028 ( 4.880 5.719 0.996) 7.583 2.049 ( 2.231 5.408 -1.062) 5.945 2.154 ( 3.278 -4.160 1.840) 5.607 2.179 ( 3.552 -4.677 -0.006) 5.873 2.309 ( 5.304 2.156 6.298) 8.512 2.344 ( 3.263 -0.829 4.822) 5.881 2.414 ( 3.898 1.086 -3.294) 5.217 2.434 ( 3.600 -0.399 -5.135) 6.284 2.605 ( 4.485 0.940 0.279) 4.591 2.620 ( 4.264 1.140 -1.290) 4.598 2.633 ( 6.210 -0.058 -0.220) 6.214 2.649 ( 4.549 -0.167 -1.730) 4.870 2.895 ( -5.502 0.452 2.011) 5.876 2.908 ( -4.965 0.491 1.424) 5.189 2.934 ( -4.837 -0.942 0.926) 5.015 2.966 ( -5.247 -2.237 -0.945) 5.781 3.151 ( 3.881 2.717 4.424) 6.482 3.161 ( 4.423 2.768 3.031) 6.034 3.229 ( 2.159 -3.845 3.782) 5.809 3.245 ( 3.713 -4.433 1.539) 5.984 3.344 ( 6.866 0.878 7.017) 9.856 3.359 ( 9.523 -0.114 7.561) 12.160 3.441 ( 2.985 0.015 -0.551) 3.036 3.447 ( 2.247 -1.222 -1.106) 2.786 3.473 ( 3.258 4.237 2.878) 6.070 3.528 ( 0.802 2.607 -0.114) 2.730 3.552 ( 0.139 -0.319 2.791) 2.813 3.561 ( 0.706 2.553 3.984) 4.785 3.620 ( -0.429 -2.820 -0.671) 2.930 3.646 ( 2.684 -4.447 -1.516) 5.411 3.697 ( 0.810 5.239 -2.428) 5.831 3.752 ( -1.936 1.758 -9.661) 10.008 3.811 ( 0.309 -1.923 1.469) 2.440 3.844 ( 5.291 -2.183 -6.214) 8.449 3.873 ( 3.850 -1.730 -5.763) 7.143 3.913 ( -1.810 -2.901 -6.820) 7.629 4.261 ( -2.369 3.503 0.547) 4.264 4.301 ( 0.836 3.726 -3.125) 4.934 4.346 ( -2.435 -2.281 0.853) 3.443 4.394 ( -1.989 -2.727 -3.845) 5.116 4.539 ( 0.126 5.325 0.487) 5.349 4.556 ( 0.427 4.673 -0.822) 4.764 4.668 ( -4.798 -5.425 1.996) 7.512 4.703 ( -2.929 -7.340 -1.353) 8.018 4.858 ( -0.727 3.240 3.710) 4.978 4.879 ( 0.128 2.698 2.474) 3.663 4.982 ( -0.331 -4.788 -0.105) 4.800 5.009 ( -1.339 -3.964 -2.269) 4.759 5.149 ( -1.343 5.629 3.994) 7.032 5.190 ( -0.887 3.882 1.038) 4.115 5.305 ( 2.295 -1.586 -2.019) 3.444 5.309 ( 1.487 -2.017 -1.859) 3.120 5.541 ( -3.113 1.460 1.693) 3.832 5.549 ( -2.620 2.264 1.070) 3.624 5.610 ( -2.780 -3.153 3.039) 5.187 5.626 ( -4.701 -5.084 0.732) 6.963 5.749 ( -1.383 2.403 4.534) 5.315 5.789 ( -3.217 0.484 -0.993) 3.401 5.814 ( -2.356 1.273 1.391) 3.018 5.841 ( -0.759 -2.537 -1.107) 2.870 5.883 ( 1.705 2.412 1.465) 3.297 5.941 ( -0.149 -1.180 2.565) 2.827 5.992 ( 0.816 0.618 -3.043) 3.211 6.043 ( 0.501 -2.622 -4.401) 5.147 6.108 ( -4.761 3.986 1.024) 6.294 6.170 ( -4.407 1.438 0.386) 4.652 6.189 ( -3.057 2.106 -3.187) 4.892 6.269 ( -3.284 -1.957 -6.263) 7.337 6.347 ( -3.906 2.236 3.748) 5.857 6.377 ( -2.126 1.918 2.848) 4.038 6.420 ( -2.028 -0.511 1.399) 2.516 6.469 ( -0.867 -2.786 -1.655) 3.354 6.940 ( 3.811 7.535 6.090) 10.411 7.074 ( 2.876 2.843 -6.613) 7.751 7.137 ( 3.708 -7.239 0.990) 8.193 7.170 ( 2.955 -3.519 -0.920) 4.686 7.343 ( 0.625 1.434 3.119) 3.489 7.362 ( 0.508 0.176 1.441) 1.538 7.404 ( -1.159 2.172 -0.937) 2.634 7.451 ( 0.528 -1.390 -5.524) 5.720 7.884 ( 1.973 3.946 4.886) 6.583 8.004 ( 1.488 -5.242 4.066) 6.799 8.022 ( 1.644 1.703 -8.065) 8.405 8.105 ( 0.604 -4.721 -5.329) 7.145 8.328 ( 2.659 3.746 6.108) 7.643 8.390 ( 1.656 2.247 1.379) 3.114 8.479 ( 4.334 -3.751 -0.795) 5.786 8.517 ( 3.073 -3.544 -2.658) 5.391 8.686 ( 0.442 0.730 4.283) 4.367 8.708 ( -2.316 -0.811 3.761) 4.490 8.745 ( -3.075 1.081 -2.322) 4.002 8.778 ( -3.122 -2.467 -3.195) 5.103 9.382 ( -3.241 6.177 3.608) 7.853 9.434 ( -3.594 7.014 -1.295) 7.987 9.530 ( -4.380 -5.685 3.977) 8.205 9.586 ( -1.198 -5.225 -1.405) 5.542 9.723 ( 1.534 1.673 3.805) 4.431 9.734 ( 0.142 1.390 3.890) 4.133 9.863 ( 4.473 -2.480 -4.717) 6.957 9.895 ( 7.297 -4.074 -6.034) 10.308 10.087 ( 5.915 3.700 2.655) 7.465 10.107 ( 7.328 2.094 1.578) 7.783 10.172 ( 3.336 0.635 -2.001) 3.941 10.206 ( 3.117 -1.572 -4.549) 5.734 10.637 ( -6.828 1.359 3.469) 7.778 10.657 ( -8.302 0.356 0.947) 8.364 10.686 ( -9.482 -0.768 0.414) 9.522 10.714 ( -7.022 -2.128 -1.266) 7.446 10.867 ( 9.895 7.456 3.947) 13.004 10.927 ( 4.822 5.905 -1.201) 7.718 11.050 ( 6.439 -6.351 3.198) 9.592 11.130 ( 5.374 -10.301 -4.341) 12.403 11.583 ( 2.520 1.219 8.130) 8.598 11.614 ( 2.572 -0.890 7.056) 7.563 11.653 ( 3.146 -0.137 4.252) 5.291 11.661 ( 0.329 -0.235 2.519) 2.551 11.877 ( -0.202 4.098 -3.629) 5.478 11.918 ( 3.423 2.603 -3.520) 5.557 11.997 ( 0.759 4.190 -10.888) 11.691 12.019 ( 1.808 1.147 -10.473) 10.690 12.273 ( 0.079 3.187 3.980) 5.100 12.342 ( -1.766 0.087 -3.524) 3.943 12.416 ( -5.053 -8.868 4.276) 11.066 12.481 ( -4.578 -10.215 -2.628) 11.498 12.820 ( -0.793 4.794 4.433) 6.578 12.849 ( 1.208 3.109 3.718) 4.995 12.914 ( 3.777 4.746 -3.021) 6.776 12.956 ( 1.473 3.168 -5.040) 6.132 13.152 ( 16.506 1.565 4.261) 17.119 13.222 ( 18.560 0.345 -2.478) 18.728 13.287 ( 19.833 -6.440 2.862) 21.048 13.320 ( 19.139 -7.433 0.144) 20.532 13.560 ( 4.518 2.019 1.365) 5.134 13.580 ( 3.317 1.784 3.237) 4.966 13.650 ( 8.911 3.920 -2.623) 10.082 13.732 ( 4.443 -0.788 -7.356) 8.629 13.801 ( 6.501 1.559 2.297) 7.069 13.895 ( 7.188 4.685 -5.595) 10.244 13.917 ( 11.605 -7.753 7.597) 15.891 14.077 ( 14.966 -10.767 -9.840) 20.898 14.876 ( -1.466 3.934 5.994) 7.318 14.962 ( -3.094 2.258 -1.252) 4.030 14.982 ( -2.979 -2.929 2.527) 4.883 15.051 ( -4.924 -2.987 -3.090) 6.535 15.385 ( -9.248 13.504 7.459) 17.987 15.535 ( -11.084 15.771 -8.009) 20.874 15.690 ( -11.748 -10.865 5.237) 16.838 15.827 ( -15.127 -8.254 -8.654) 19.283 16.808 ( -14.863 1.303 2.765) 15.174 16.841 ( -14.350 -1.421 2.092) 14.572 16.849 ( -14.064 0.901 -1.272) 14.151 16.869 ( -13.746 -0.576 -0.562) 13.770 19.811 ( -0.742 0.893 4.857) 4.994 19.840 ( -0.695 -1.635 6.342) 6.586 19.904 ( 0.209 1.793 -4.775) 5.105 19.961 ( 0.711 -3.309 -5.904) 6.806 20.170 ( 0.538 1.987 7.759) 8.027 20.196 ( 0.232 -0.011 4.544) 4.550 20.289 ( -1.572 3.642 -4.006) 5.638 20.341 ( 0.941 -1.054 -8.630) 8.745 20.583 ( -1.989 5.515 6.417) 8.692 20.712 ( -3.534 3.026 -4.812) 6.694 20.782 ( -6.684 -8.736 2.605) 11.304 20.875 ( -5.854 -7.605 -5.344) 10.985 21.208 ( 5.713 4.426 4.096) 8.307 21.292 ( 2.636 2.813 -5.039) 6.345 21.310 ( 4.186 -3.967 2.840) 6.429 21.355 ( 3.190 -1.980 -2.161) 4.332 21.692 ( 3.310 4.436 10.960) 12.278 21.787 ( 2.818 -3.423 8.408) 9.505 21.909 ( 5.376 2.610 -11.338) 12.817 21.973 ( 5.385 -2.526 -10.474) 12.045 22.472 ( -1.611 1.346 3.239) 3.860 22.498 ( -2.264 -0.704 2.698) 3.591 22.524 ( -2.104 0.782 -2.043) 3.035 22.534 ( -1.960 -0.095 -1.104) 2.251 22.943 ( 0.180 1.294 3.302) 3.551 22.958 ( -1.018 0.726 2.861) 3.123 23.000 ( -0.199 -0.386 0.008) 0.434 23.023 ( -1.203 -1.571 -1.236) 2.333 23.078 ( -2.166 2.785 1.741) 3.934 23.110 ( -4.726 4.529 -0.952) 6.615 23.146 ( -3.716 -1.727 2.439) 4.769 23.230 ( -8.489 -4.286 -5.793) 11.135 ======================= Grid point 66 (29/30) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 9.803 1.692 2.140) 10.175 1.558 ( 6.326 -1.265 1.157) 6.554 1.578 ( 7.144 0.314 -2.883) 7.710 1.642 ( 5.465 -2.900 -4.365) 7.572 1.726 ( 3.108 3.488 4.654) 6.594 1.805 ( 1.537 1.981 -1.370) 2.858 1.814 ( 5.633 -2.054 2.443) 6.475 1.891 ( 3.379 -3.629 -3.351) 5.985 2.077 ( 1.135 4.673 1.241) 4.967 2.112 ( 2.483 4.335 -2.351) 5.521 2.203 ( 0.553 -4.473 1.206) 4.666 2.239 ( 2.218 -5.554 -2.373) 6.434 2.387 ( 2.079 2.044 3.543) 4.588 2.415 ( 3.210 -0.247 2.099) 3.843 2.452 ( 0.762 1.226 -1.988) 2.457 2.495 ( 1.606 -2.138 -3.970) 4.787 2.650 ( -0.385 2.819 0.349) 2.867 2.669 ( 1.609 4.023 -1.459) 4.572 2.717 ( -1.055 -2.193 1.455) 2.836 2.757 ( 0.498 -3.049 -2.589) 4.031 2.818 ( 2.705 3.472 1.481) 4.644 2.834 ( 2.862 4.195 -0.147) 5.080 2.897 ( 2.189 -3.060 1.357) 4.000 2.920 ( 2.175 -2.724 -0.723) 3.560 3.149 ( -4.480 1.226 6.491) 7.982 3.175 ( -1.954 -0.997 5.552) 5.970 3.235 ( -2.706 0.720 -0.418) 2.831 3.258 ( -4.643 -1.634 -4.099) 6.405 3.365 ( -5.532 1.943 1.019) 5.951 3.374 ( -5.800 1.231 2.002) 6.258 3.406 ( -4.564 0.671 -1.110) 4.745 3.422 ( -2.930 -1.061 -0.955) 3.259 3.547 ( 0.816 -0.207 5.810) 5.871 3.573 ( 0.679 -1.581 3.013) 3.470 3.593 ( 2.160 -0.404 3.193) 3.876 3.644 ( 0.747 -4.175 0.090) 4.242 3.709 ( 11.777 1.960 0.382) 11.945 3.757 ( 10.440 0.592 1.614) 10.581 3.768 ( 10.152 0.954 -0.371) 10.203 3.816 ( 8.860 0.677 -7.052) 11.345 3.871 ( 4.025 3.893 -0.258) 5.606 3.945 ( 4.751 2.420 -5.540) 7.689 3.967 ( 5.795 -5.342 1.771) 8.078 4.042 ( 6.876 -4.486 -4.854) 9.537 4.286 ( 4.270 2.011 1.761) 5.038 4.333 ( 2.174 3.302 -2.643) 4.756 4.354 ( 2.873 -2.904 2.819) 4.963 4.393 ( 1.633 -1.301 -0.949) 2.293 4.579 ( 1.430 0.854 3.711) 4.068 4.592 ( -0.969 0.815 2.827) 3.097 4.615 ( 3.498 0.947 1.602) 3.962 4.678 ( 0.377 -2.452 -2.390) 3.445 4.835 ( -0.750 3.861 0.246) 3.941 4.860 ( -1.649 1.991 0.559) 2.645 4.938 ( -4.040 -2.691 -2.748) 5.578 4.958 ( -2.653 -1.573 -2.284) 3.838 5.116 ( -0.638 4.402 4.221) 6.132 5.186 ( 1.558 2.292 -2.548) 3.764 5.292 ( -2.040 -7.178 2.016) 7.730 5.347 ( 0.020 -6.865 -2.838) 7.429 5.454 ( -4.765 4.263 3.050) 7.084 5.478 ( -3.230 2.980 0.258) 4.402 5.555 ( -3.638 -3.383 1.340) 5.145 5.561 ( -1.708 -1.869 0.367) 2.559 5.717 ( -0.828 2.286 5.530) 6.041 5.742 ( -0.961 0.069 3.331) 3.467 5.775 ( -0.554 0.217 -1.216) 1.354 5.803 ( -1.880 -1.896 -2.518) 3.671 5.901 ( -0.270 -0.194 0.095) 0.345 5.910 ( -2.038 -0.483 1.228) 2.428 5.964 ( -2.461 0.313 -3.807) 4.544 5.972 ( -4.280 1.522 -0.831) 4.617 6.064 ( -3.701 0.005 -1.206) 3.892 6.079 ( -3.204 5.632 -2.144) 6.826 6.091 ( -6.818 -1.305 1.610) 7.125 6.148 ( -7.060 -0.080 -2.170) 7.386 6.347 ( 2.273 2.169 -0.114) 3.144 6.368 ( 0.722 3.496 -1.316) 3.805 6.400 ( 0.907 -1.697 2.709) 3.322 6.444 ( -1.051 -2.655 -1.250) 3.117 7.022 ( 3.734 6.948 4.239) 8.954 7.122 ( 1.708 3.050 -4.673) 5.836 7.186 ( 0.744 -3.724 0.724) 3.866 7.201 ( -0.265 -0.624 -0.341) 0.759 7.346 ( 0.570 0.369 -0.439) 0.809 7.368 ( -0.707 1.990 -2.500) 3.273 7.386 ( 0.168 -1.060 1.282) 1.672 7.456 ( -0.342 -3.684 -5.801) 6.880 7.958 ( 4.845 1.567 4.935) 7.092 8.043 ( 2.139 -4.241 2.480) 5.358 8.072 ( 2.618 -1.160 -5.084) 5.834 8.125 ( 1.146 -4.443 -3.671) 5.876 8.374 ( 1.271 4.369 4.161) 6.166 8.398 ( -0.705 3.461 1.874) 3.999 8.513 ( -2.029 -2.680 -2.660) 4.286 8.526 ( -2.492 -2.889 -2.946) 4.820 8.656 ( -1.066 1.097 6.191) 6.377 8.706 ( 0.592 -0.585 3.006) 3.119 8.720 ( 1.425 -0.905 3.050) 3.486 8.750 ( -0.009 -2.007 -1.301) 2.392 9.306 ( -2.784 1.200 1.984) 3.623 9.331 ( -5.306 5.742 0.154) 7.820 9.362 ( -8.147 -2.342 6.277) 10.548 9.480 ( -5.851 -5.955 -4.900) 9.681 9.785 ( 3.903 5.982 2.197) 7.472 9.832 ( 5.579 4.774 -1.729) 7.544 9.945 ( 2.395 -4.575 -0.884) 5.239 9.997 ( 2.306 -5.033 -4.839) 7.352 10.155 ( -2.159 3.369 1.508) 4.276 10.167 ( 0.093 3.604 0.341) 3.621 10.254 ( 3.918 -1.218 1.010) 4.225 10.296 ( 3.440 -3.695 -2.972) 5.858 10.507 ( -3.833 1.558 1.004) 4.258 10.527 ( -3.695 2.495 0.284) 4.467 10.568 ( -1.587 -1.826 1.089) 2.654 10.605 ( -2.981 -2.827 -1.758) 4.468 11.002 ( 3.405 3.970 4.514) 6.909 11.067 ( 6.087 2.122 -0.168) 6.449 11.107 ( 0.206 -0.942 0.527) 1.099 11.190 ( -1.006 -4.278 -6.227) 7.621 11.579 ( -0.107 3.910 6.842) 7.881 11.679 ( 2.746 0.448 -0.865) 2.914 11.691 ( 4.139 -4.088 3.250) 6.664 11.728 ( 4.134 -2.397 2.322) 5.313 11.882 ( 0.787 4.694 3.229) 5.752 11.976 ( -0.028 0.773 -3.874) 3.950 12.009 ( 1.241 5.084 -3.104) 6.085 12.053 ( 0.846 -1.029 -8.730) 8.831 12.281 ( 0.857 -0.513 1.953) 2.194 12.333 ( 0.408 -0.920 -2.615) 2.802 12.344 ( -1.510 -6.099 2.851) 6.900 12.413 ( -1.820 -6.629 -3.734) 7.823 12.794 ( -0.910 7.244 2.651) 7.768 12.832 ( -1.226 5.507 -0.810) 5.699 12.936 ( -1.166 -1.618 -1.612) 2.564 12.949 ( -2.154 -0.812 -2.317) 3.266 13.418 ( 8.006 3.162 4.163) 9.561 13.478 ( 6.299 3.281 -1.995) 7.377 13.529 ( 6.654 -5.883 4.208) 9.828 13.584 ( 5.194 -4.900 -1.119) 7.227 13.693 ( 5.605 1.051 4.694) 7.386 13.713 ( 4.417 -0.055 4.074) 6.010 13.796 ( 1.045 -0.075 -4.398) 4.521 13.812 ( 0.583 -0.927 -4.367) 4.502 14.154 ( 31.447 6.597 5.978) 32.683 14.292 ( 26.455 6.116 -8.344) 28.407 14.334 ( 27.289 -8.475 6.397) 29.282 14.479 ( 20.800 -9.378 -8.512) 24.353 14.896 ( 4.735 3.229 3.288) 6.607 14.937 ( 1.815 3.280 -1.180) 3.930 14.970 ( 3.026 -2.503 1.742) 4.296 14.990 ( 0.203 -1.209 -0.481) 1.317 15.206 ( -7.098 8.885 6.549) 13.123 15.343 ( -6.471 7.995 -6.445) 12.139 15.431 ( -11.759 -7.421 1.601) 13.996 15.525 ( -12.505 -5.132 -6.700) 15.086 16.412 ( -22.887 1.858 4.058) 23.318 16.456 ( -22.271 -1.749 3.411) 22.599 16.481 ( -21.151 1.500 -2.931) 21.406 16.516 ( -20.045 -1.349 -2.649) 20.264 19.816 ( 1.369 1.321 6.219) 6.503 19.855 ( 1.993 -2.068 8.051) 8.548 19.929 ( 2.046 2.042 -5.378) 6.106 19.993 ( 1.660 -3.740 -5.140) 6.570 20.149 ( -4.162 1.273 7.234) 8.442 20.165 ( -2.412 0.502 5.007) 5.580 20.219 ( -4.023 5.162 -2.081) 6.868 20.322 ( -3.134 -3.278 -7.941) 9.145 20.597 ( 2.361 3.202 0.844) 4.066 20.653 ( -0.545 1.458 -2.989) 3.370 20.693 ( -1.229 -2.987 -0.041) 3.230 20.758 ( -3.423 -4.930 -4.891) 7.743 21.243 ( -1.538 3.532 1.831) 4.266 21.270 ( -3.026 2.556 -0.932) 4.069 21.318 ( -3.192 -2.600 2.750) 4.951 21.370 ( -2.248 -4.344 -2.985) 5.730 21.818 ( 7.751 4.175 10.719) 13.871 21.896 ( 6.877 -2.033 9.026) 11.528 22.029 ( 4.862 1.690 -10.119) 11.353 22.078 ( 3.260 -1.934 -8.686) 9.477 22.456 ( -0.346 1.204 0.741) 1.455 22.463 ( -0.132 1.140 0.596) 1.293 22.497 ( -1.093 -0.471 -0.935) 1.514 22.508 ( -0.185 -0.995 -1.606) 1.898 22.941 ( -0.424 1.570 1.421) 2.160 22.947 ( 0.226 1.291 0.884) 1.581 22.983 ( -1.144 -0.889 0.768) 1.640 22.991 ( -1.062 -1.504 0.115) 1.845 23.038 ( -1.868 0.936 0.931) 2.288 23.048 ( -2.284 0.840 0.387) 2.464 23.075 ( -2.888 -0.755 -0.388) 3.010 23.091 ( -4.242 -1.394 -1.803) 4.815 ======================= Grid point 67 (30/30) ======================= q-point: ( 0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 5.253 0.986 2.791) 6.030 1.663 ( 4.610 0.970 4.115) 6.255 1.728 ( 2.603 2.136 1.053) 3.528 1.736 ( 0.841 2.885 1.280) 3.267 1.773 ( -0.081 1.713 -0.679) 1.844 1.781 ( 5.310 -0.499 -3.023) 6.130 1.861 ( -3.025 -3.313 0.885) 4.573 1.895 ( -2.762 -5.509 -2.426) 6.623 2.127 ( 3.901 3.270 -0.011) 5.090 2.165 ( 3.472 1.575 -4.011) 5.534 2.190 ( -1.505 -1.562 0.439) 2.213 2.242 ( -2.355 -4.220 -4.511) 6.611 2.412 ( 0.452 1.920 1.748) 2.636 2.436 ( -1.470 1.167 -0.062) 1.878 2.446 ( -0.637 0.356 -1.405) 1.583 2.462 ( -2.797 -0.143 -2.230) 3.581 2.705 ( 4.467 -0.028 0.469) 4.492 2.719 ( 2.683 -0.835 1.044) 2.997 2.723 ( 3.151 0.896 -1.770) 3.724 2.757 ( 0.905 -1.743 -2.473) 3.158 2.908 ( 2.961 2.784 3.660) 5.470 2.943 ( 2.649 2.120 1.497) 3.708 2.949 ( 3.109 0.567 3.000) 4.357 2.975 ( 0.301 0.246 1.906) 1.945 3.048 ( -2.581 0.239 0.551) 2.650 3.090 ( -4.956 -1.596 -1.019) 5.306 3.096 ( -5.982 -0.441 -1.816) 6.267 3.122 ( -5.935 -1.251 -3.133) 6.826 3.313 ( -0.034 0.796 3.309) 3.403 3.314 ( 0.467 0.549 1.632) 1.784 3.341 ( -1.999 0.406 -0.700) 2.157 3.356 ( -2.704 -0.590 -0.823) 2.887 3.558 ( 0.658 -0.208 1.867) 1.991 3.572 ( 0.661 0.229 1.898) 2.023 3.591 ( -0.907 -1.586 2.664) 3.230 3.609 ( -2.625 -1.210 0.467) 2.928 3.886 ( 4.288 3.531 0.085) 5.555 3.926 ( 3.448 0.351 -2.913) 4.527 3.936 ( 1.257 -1.718 0.612) 2.215 3.988 ( 2.499 -3.445 -1.927) 4.671 4.015 ( 8.628 2.459 2.632) 9.349 4.049 ( 5.983 0.163 0.204) 5.989 4.071 ( 4.864 -0.437 0.291) 4.892 4.115 ( 0.608 -2.204 -2.504) 3.390 4.382 ( 4.073 2.080 1.233) 4.737 4.402 ( 3.347 1.383 -0.226) 3.628 4.427 ( 1.800 -1.290 1.453) 2.649 4.438 ( 0.981 -1.378 0.686) 1.825 4.569 ( 1.669 1.824 6.743) 7.182 4.621 ( 1.140 0.469 2.712) 2.979 4.633 ( -1.769 -0.799 5.401) 5.739 4.663 ( -2.437 -1.987 3.263) 4.531 4.811 ( -1.932 1.864 -1.772) 3.217 4.832 ( -4.274 -0.172 -1.539) 4.545 4.844 ( 0.936 -0.783 -5.922) 6.046 4.902 ( -3.465 -2.960 -6.944) 8.306 5.176 ( 6.319 4.366 5.030) 9.180 5.262 ( 4.677 4.278 -2.883) 6.963 5.309 ( 3.443 -4.939 2.980) 6.718 5.334 ( -2.829 2.519 2.649) 4.622 5.370 ( -0.261 -1.438 -0.287) 1.489 5.425 ( -1.236 -1.096 -2.385) 2.901 5.441 ( -6.634 -2.942 3.001) 7.853 5.503 ( -4.326 -2.988 -1.925) 5.599 5.733 ( 2.582 2.802 4.476) 5.879 5.764 ( 2.927 0.869 2.329) 3.840 5.792 ( 1.789 0.552 1.359) 2.313 5.801 ( 1.089 -0.772 0.874) 1.596 5.851 ( -3.450 -1.075 0.842) 3.710 5.864 ( -5.034 1.010 0.518) 5.161 5.881 ( -2.222 -2.165 -0.129) 3.106 5.896 ( -5.487 -1.487 -0.126) 5.686 5.977 ( -0.227 1.866 -3.100) 3.626 5.990 ( -2.131 0.842 -1.348) 2.658 6.011 ( -2.472 1.767 -3.560) 4.680 6.036 ( -3.614 -0.146 -4.941) 6.123 6.388 ( 1.912 2.465 0.297) 3.133 6.403 ( 1.637 1.673 -1.340) 2.697 6.416 ( -0.185 0.397 0.411) 0.600 6.427 ( -0.737 -0.488 -0.532) 1.032 7.094 ( 3.205 5.790 2.465) 7.062 7.147 ( -0.163 3.804 -0.500) 3.840 7.167 ( -1.153 3.056 -0.968) 3.406 7.183 ( -1.072 1.711 -0.958) 2.235 7.359 ( 0.170 -0.433 -0.385) 0.604 7.365 ( 0.245 -2.017 -0.105) 2.035 7.394 ( 1.084 -3.294 -3.476) 4.910 7.431 ( -1.846 -4.616 -5.696) 7.560 8.063 ( 4.062 -1.581 3.841) 5.810 8.092 ( 2.375 -2.284 0.826) 3.397 8.103 ( 0.339 -2.063 -0.084) 2.092 8.143 ( -0.471 -3.903 -2.615) 4.722 8.383 ( 0.217 1.938 1.284) 2.335 8.391 ( 1.001 0.188 0.157) 1.031 8.430 ( -3.577 -0.943 -0.601) 3.748 8.456 ( -3.850 -3.139 -1.818) 5.290 8.671 ( 2.131 3.121 6.482) 7.503 8.714 ( -1.039 2.518 4.822) 5.538 8.742 ( 0.945 -0.074 1.183) 1.516 8.756 ( 0.004 -1.187 1.376) 1.817 9.235 ( -2.335 1.532 5.543) 6.207 9.247 ( -3.122 2.902 2.951) 5.184 9.295 ( 1.603 -3.977 -2.972) 5.217 9.366 ( -4.783 -6.123 -6.221) 9.954 9.879 ( 4.681 7.163 1.768) 8.738 9.920 ( 2.367 6.576 -2.566) 7.446 9.963 ( -0.591 3.325 0.640) 3.437 9.987 ( -2.772 3.587 -1.927) 4.926 10.149 ( 3.110 -2.692 2.141) 4.637 10.187 ( 2.626 -4.909 -1.938) 5.895 10.247 ( -4.217 -6.473 -0.305) 7.732 10.265 ( -4.230 -6.653 -2.396) 8.240 10.502 ( 2.207 3.861 2.283) 4.999 10.539 ( 2.511 1.262 -1.525) 3.197 10.545 ( -1.345 0.938 1.494) 2.218 10.574 ( -0.794 -1.805 -1.758) 2.642 11.054 ( 1.937 2.078 1.809) 3.368 11.088 ( -0.412 -0.566 0.329) 0.774 11.107 ( -1.485 0.706 -3.495) 3.862 11.117 ( -4.124 0.025 -2.542) 4.845 11.656 ( 6.420 4.805 7.674) 11.100 11.758 ( 3.553 0.277 0.637) 3.620 11.766 ( -0.932 0.852 5.482) 5.626 11.796 ( 2.518 -2.713 1.505) 3.995 11.899 ( 1.909 2.122 1.610) 3.277 11.955 ( -1.292 1.773 -3.382) 4.032 12.007 ( -0.846 -2.414 -6.480) 6.966 12.039 ( -2.187 -3.019 -7.710) 8.564 12.319 ( 2.541 -0.574 2.066) 3.325 12.339 ( 0.705 -1.818 2.621) 3.267 12.351 ( 0.642 -0.552 -1.085) 1.376 12.382 ( -1.795 -3.263 -1.822) 4.146 12.803 ( 2.037 4.443 0.756) 4.946 12.829 ( 1.228 2.565 -1.739) 3.333 12.876 ( -4.075 -0.024 -1.015) 4.200 12.884 ( -3.230 -1.481 -1.826) 3.995 13.560 ( 6.220 2.768 2.310) 7.189 13.587 ( 4.424 2.823 -0.513) 5.273 13.628 ( 2.330 -2.666 2.062) 4.098 13.655 ( -0.257 -1.989 -0.591) 2.091 13.731 ( 1.111 -0.078 2.047) 2.331 13.745 ( -1.430 1.026 0.810) 1.937 13.762 ( -1.319 -1.149 1.205) 2.124 13.793 ( -2.333 -2.144 -1.847) 3.667 14.703 ( 11.232 4.135 0.795) 11.995 14.730 ( 16.178 2.906 -2.229) 16.587 14.787 ( 7.774 -1.191 0.261) 7.868 14.803 ( 8.899 -3.699 -1.404) 9.739 14.982 ( -0.637 1.406 1.576) 2.206 15.016 ( -1.466 0.162 -1.829) 2.350 15.049 ( -1.363 -3.365 0.671) 3.692 15.058 ( 0.852 -2.839 -0.264) 2.975 15.278 ( 16.085 2.423 7.876) 18.073 15.321 ( 21.343 -1.201 9.686) 23.468 15.435 ( 16.286 4.387 -8.437) 18.859 15.519 ( 19.294 -2.832 -10.972) 22.376 15.856 ( -29.471 2.568 6.185) 30.222 15.915 ( -28.722 -2.322 6.314) 29.500 15.969 ( -26.972 2.821 -5.725) 27.717 16.035 ( -25.179 -2.642 -6.326) 26.096 19.870 ( 3.738 1.648 7.185) 8.265 19.919 ( 3.825 -2.597 8.430) 9.615 19.961 ( -3.261 0.718 4.523) 5.622 19.977 ( -0.533 -0.190 0.093) 0.574 20.079 ( -1.865 1.453 4.196) 4.816 20.125 ( -3.885 3.922 -4.109) 6.882 20.137 ( 1.911 -2.559 -6.584) 7.318 20.228 ( -5.158 -4.485 -7.875) 10.428 20.652 ( 2.700 3.885 0.186) 4.735 20.686 ( 1.576 1.635 -1.551) 2.750 20.694 ( 0.873 1.036 -1.620) 2.112 20.730 ( -0.696 -2.054 -3.505) 4.121 21.201 ( -1.106 2.283 2.018) 3.241 21.227 ( -1.422 -0.966 0.864) 1.924 21.236 ( -1.919 -1.716 0.791) 2.693 21.289 ( -4.357 -4.346 -2.973) 6.834 21.975 ( 6.583 3.027 6.429) 9.687 22.028 ( 4.880 -1.228 3.894) 6.363 22.077 ( -2.144 0.822 -1.306) 2.642 22.084 ( -0.873 0.223 -3.310) 3.431 22.471 ( 0.552 1.026 -0.740) 1.380 22.476 ( 1.659 -0.040 -1.670) 2.354 22.482 ( -0.364 -0.170 -0.448) 0.602 22.504 ( -0.634 -1.318 -2.186) 2.630 22.944 ( 0.674 1.135 0.865) 1.579 22.955 ( 0.613 0.749 -0.274) 1.006 22.965 ( -1.165 -0.307 0.756) 1.422 22.971 ( -0.709 -0.827 0.204) 1.108 23.009 ( -0.311 0.243 0.815) 0.906 23.015 ( -0.241 -0.219 0.297) 0.441 23.028 ( -1.773 -0.168 -0.544) 1.862 23.035 ( -1.740 -0.552 -1.114) 2.139 =================== 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 3/25920 10.0 1209.055 848.246 1388.160 0.000 0.000 0.000 3/25920 20.0 251.544 187.402 220.442 0.000 0.000 0.000 3/25920 30.0 97.171 70.218 79.143 0.000 0.000 0.000 3/25920 40.0 52.335 37.237 41.738 0.000 0.000 0.000 3/25920 50.0 33.707 23.748 26.710 0.000 0.000 0.000 3/25920 60.0 24.137 16.901 19.099 0.000 0.000 0.000 3/25920 70.0 18.508 12.907 14.649 0.000 0.000 0.000 3/25920 80.0 14.877 10.346 11.786 0.000 0.000 0.000 3/25920 90.0 12.376 8.587 9.813 0.000 0.000 0.000 3/25920 100.0 10.567 7.315 8.384 0.000 0.000 0.000 3/25920 110.0 9.208 6.359 7.307 0.000 0.000 0.000 3/25920 120.0 8.155 5.618 6.470 0.000 0.000 0.000 3/25920 130.0 7.319 5.029 5.803 0.000 0.000 0.000 3/25920 140.0 6.641 4.550 5.260 0.000 0.000 0.000 3/25920 150.0 6.081 4.154 4.810 0.000 0.000 0.000 3/25920 160.0 5.612 3.821 4.432 0.000 0.000 0.000 3/25920 170.0 5.213 3.538 4.109 0.000 0.000 0.000 3/25920 180.0 4.869 3.294 3.831 0.000 0.000 0.000 3/25920 190.0 4.570 3.083 3.590 0.000 0.000 0.000 3/25920 200.0 4.308 2.897 3.377 0.000 0.000 0.000 3/25920 210.0 4.076 2.733 3.189 0.000 0.000 0.000 3/25920 220.0 3.869 2.587 3.021 0.000 0.000 0.000 3/25920 230.0 3.683 2.456 2.871 0.000 0.000 0.000 3/25920 240.0 3.515 2.338 2.735 0.000 0.000 0.000 3/25920 250.0 3.362 2.231 2.612 0.000 0.000 0.000 3/25920 260.0 3.223 2.133 2.500 0.000 0.000 0.000 3/25920 270.0 3.095 2.045 2.397 0.000 0.000 0.000 3/25920 280.0 2.978 1.963 2.303 0.000 0.000 0.000 3/25920 290.0 2.869 1.888 2.216 0.000 0.000 0.000 3/25920 300.0 2.769 1.818 2.136 0.000 0.000 0.000 3/25920 310.0 2.675 1.754 2.061 0.000 0.000 0.000 3/25920 320.0 2.588 1.694 1.992 0.000 0.000 0.000 3/25920 330.0 2.507 1.638 1.927 0.000 0.000 0.000 3/25920 340.0 2.430 1.586 1.866 0.000 0.000 0.000 3/25920 350.0 2.359 1.537 1.810 0.000 0.000 0.000 3/25920 360.0 2.291 1.491 1.756 0.000 0.000 0.000 3/25920 370.0 2.228 1.448 1.706 0.000 0.000 0.000 3/25920 380.0 2.167 1.408 1.659 0.000 0.000 0.000 3/25920 390.0 2.111 1.369 1.614 0.000 0.000 0.000 3/25920 400.0 2.057 1.333 1.572 0.000 0.000 0.000 3/25920 410.0 2.006 1.298 1.532 0.000 0.000 0.000 3/25920 420.0 1.957 1.266 1.494 0.000 0.000 0.000 3/25920 430.0 1.911 1.235 1.457 0.000 0.000 0.000 3/25920 440.0 1.867 1.205 1.423 0.000 0.000 0.000 3/25920 450.0 1.824 1.177 1.390 0.000 0.000 0.000 3/25920 460.0 1.784 1.151 1.359 0.000 0.000 0.000 3/25920 470.0 1.746 1.125 1.329 0.000 0.000 0.000 3/25920 480.0 1.709 1.101 1.300 0.000 0.000 0.000 3/25920 490.0 1.674 1.077 1.273 0.000 0.000 0.000 3/25920 500.0 1.640 1.055 1.247 0.000 0.000 0.000 3/25920 510.0 1.607 1.033 1.222 0.000 0.000 0.000 3/25920 520.0 1.576 1.013 1.197 0.000 0.000 0.000 3/25920 530.0 1.546 0.993 1.174 0.000 0.000 0.000 3/25920 540.0 1.517 0.974 1.152 0.000 0.000 0.000 3/25920 550.0 1.490 0.956 1.131 0.000 0.000 0.000 3/25920 560.0 1.463 0.938 1.110 0.000 0.000 0.000 3/25920 570.0 1.437 0.921 1.090 0.000 0.000 0.000 3/25920 580.0 1.412 0.905 1.071 0.000 0.000 0.000 3/25920 590.0 1.388 0.889 1.052 0.000 0.000 0.000 3/25920 600.0 1.365 0.874 1.034 0.000 0.000 0.000 3/25920 610.0 1.342 0.859 1.017 0.000 0.000 0.000 3/25920 620.0 1.320 0.845 1.000 0.000 0.000 0.000 3/25920 630.0 1.299 0.831 0.984 0.000 0.000 0.000 3/25920 640.0 1.279 0.818 0.969 0.000 0.000 0.000 3/25920 650.0 1.259 0.805 0.953 0.000 0.000 0.000 3/25920 660.0 1.240 0.793 0.939 0.000 0.000 0.000 3/25920 670.0 1.222 0.781 0.925 0.000 0.000 0.000 3/25920 680.0 1.204 0.769 0.911 0.000 0.000 0.000 3/25920 690.0 1.186 0.757 0.897 0.000 0.000 0.000 3/25920 700.0 1.169 0.746 0.884 0.000 0.000 0.000 3/25920 710.0 1.153 0.736 0.872 0.000 0.000 0.000 3/25920 720.0 1.136 0.725 0.859 0.000 0.000 0.000 3/25920 730.0 1.121 0.715 0.848 0.000 0.000 0.000 3/25920 740.0 1.106 0.705 0.836 0.000 0.000 0.000 3/25920 750.0 1.091 0.696 0.825 0.000 0.000 0.000 3/25920 760.0 1.076 0.686 0.814 0.000 0.000 0.000 3/25920 770.0 1.062 0.677 0.803 0.000 0.000 0.000 3/25920 780.0 1.049 0.669 0.793 0.000 0.000 0.000 3/25920 790.0 1.036 0.660 0.782 0.000 0.000 0.000 3/25920 800.0 1.023 0.652 0.773 0.000 0.000 0.000 3/25920 810.0 1.010 0.643 0.763 0.000 0.000 0.000 3/25920 820.0 0.998 0.635 0.754 0.000 0.000 0.000 3/25920 830.0 0.986 0.628 0.744 0.000 0.000 0.000 3/25920 840.0 0.974 0.620 0.735 0.000 0.000 0.000 3/25920 850.0 0.962 0.613 0.727 0.000 0.000 0.000 3/25920 860.0 0.951 0.606 0.718 0.000 0.000 0.000 3/25920 870.0 0.940 0.599 0.710 0.000 0.000 0.000 3/25920 880.0 0.929 0.592 0.702 0.000 0.000 0.000 3/25920 890.0 0.919 0.585 0.694 0.000 0.000 0.000 3/25920 900.0 0.909 0.578 0.686 0.000 0.000 0.000 3/25920 910.0 0.899 0.572 0.678 0.000 0.000 0.000 3/25920 920.0 0.889 0.566 0.671 0.000 0.000 0.000 3/25920 930.0 0.879 0.559 0.664 0.000 0.000 0.000 3/25920 940.0 0.870 0.553 0.657 0.000 0.000 0.000 3/25920 950.0 0.861 0.548 0.650 0.000 0.000 0.000 3/25920 960.0 0.852 0.542 0.643 0.000 0.000 0.000 3/25920 970.0 0.843 0.536 0.636 0.000 0.000 0.000 3/25920 980.0 0.835 0.531 0.630 0.000 0.000 0.000 3/25920 990.0 0.826 0.525 0.623 0.000 0.000 0.000 3/25920 1000.0 0.818 0.520 0.617 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m935.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:58:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|