----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:48:03]------------------------- 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: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.711323710175192 0.000000000000000 0.000000000000000 b 0.000000000000000 10.841048470000002 0.000000000000000 c -3.751737200595616 0.000000000000000 10.671016740771131 Atomic positions (fractional): *1 Nd 0.66679022103262 0.62391930085442 0.07204498743161 144.242 *2 Nd 0.47639797151101 0.60127071635554 0.71293348700073 144.242 3 Nd 0.52360202848899 0.10127071635555 0.78706651299927 144.242 *4 Nd 0.83470680170394 0.37771646378279 0.91167954497652 144.242 *5 Nd 0.02644885535288 0.08490337981102 0.81090943002785 144.242 6 Nd 0.47639797151101 0.89872928364446 0.21293348700073 144.242 7 Nd 0.33320977896738 0.12391930085442 0.42795501256839 144.242 8 Nd 0.97355114464712 0.91509662018898 0.18909056997215 144.242 9 Nd 0.52360202848899 0.39872928364445 0.28706651299927 144.242 10 Nd 0.16529319829606 0.87771646378279 0.58832045502348 144.242 11 Nd 0.02644885535288 0.41509662018898 0.31090943002785 144.242 12 Nd 0.66679022103262 0.87608069914558 0.57204498743161 144.242 13 Nd 0.83470680170394 0.12228353621721 0.41167954497652 144.242 14 Nd 0.33320977896738 0.37608069914558 0.92795501256839 144.242 15 Nd 0.16529319829606 0.62228353621721 0.08832045502348 144.242 16 Nd 0.97355114464712 0.58490337981102 0.68909056997215 144.242 *17 Al 0.34760276875200 0.80980009752964 0.88114128048496 26.982 *18 Al 0.22281255694318 0.19244625771813 0.12895555581508 26.982 19 Al 0.65239723124800 0.19019990247036 0.11885871951504 26.982 20 Al 0.77718744305682 0.80755374228187 0.87104444418492 26.982 21 Al 0.22281255694318 0.30755374228187 0.62895555581508 26.982 22 Al 0.34760276875200 0.69019990247036 0.38114128048496 26.982 23 Al 0.65239723124800 0.30980009752964 0.61885871951504 26.982 24 Al 0.77718744305682 0.69244625771813 0.37104444418492 26.982 *25 O 0.43162146967713 0.99108871473815 0.60238884301976 15.999 *26 O 0.92369441091269 0.00431925801580 0.60612299959007 15.999 *27 O 0.35941942141402 0.72818435644379 0.53387175011934 15.999 *28 O 0.21755620435354 0.78018536480540 0.25251311545660 15.999 *29 O 0.43407008763262 0.25642585533192 0.61670659307071 15.999 30 O 0.07630558908731 0.99568074198420 0.39387700040993 15.999 31 O 0.78244379564646 0.28018536480540 0.24748688454340 15.999 32 O 0.64058057858598 0.22818435644379 0.96612824988066 15.999 *33 O 0.70284044765345 0.46179576543631 0.67617323782363 15.999 *34 O 0.92129388850564 0.73394250982665 0.52048937504344 15.999 35 O 0.56592991236738 0.74357414466808 0.38329340692929 15.999 *36 O 0.78029832428022 0.96337547386779 0.83105567930467 15.999 37 O 0.56592991236738 0.75642585533192 0.88329340692929 15.999 38 O 0.43162146967713 0.50891128526185 0.10238884301976 15.999 39 O 0.21970167571978 0.46337547386779 0.66894432069533 15.999 40 O 0.64058057858598 0.27181564355621 0.46612824988066 15.999 41 O 0.43407008763262 0.24357414466808 0.11670659307071 15.999 *42 O 0.23265433604276 0.27816424349908 0.26440687608781 15.999 43 O 0.76734566395725 0.77816424349908 0.23559312391219 15.999 44 O 0.07870611149436 0.23394250982665 0.97951062495656 15.999 45 O 0.78244379564646 0.21981463519460 0.74748688454340 15.999 46 O 0.35941942141402 0.77181564355621 0.03387175011934 15.999 47 O 0.07630558908731 0.50431925801580 0.89387700040993 15.999 48 O 0.56837853032287 0.00891128526185 0.39761115698024 15.999 49 O 0.29715955234655 0.96179576543631 0.82382676217637 15.999 50 O 0.07870611149436 0.26605749017335 0.47951062495656 15.999 51 O 0.56837853032287 0.49108871473815 0.89761115698024 15.999 52 O 0.29715955234655 0.53820423456369 0.32382676217637 15.999 53 O 0.21755620435354 0.71981463519460 0.75251311545660 15.999 54 O 0.21970167571978 0.03662452613221 0.16894432069533 15.999 55 O 0.92369441091269 0.49568074198420 0.10612299959007 15.999 56 O 0.92129388850564 0.76605749017335 0.02048937504344 15.999 57 O 0.78029832428022 0.53662452613221 0.33105567930467 15.999 58 O 0.23265433604276 0.22183575650092 0.76440687608781 15.999 59 O 0.70284044765345 0.03820423456369 0.17617323782363 15.999 60 O 0.76734566395725 0.72183575650092 0.73559312391219 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.711323710175192 0.000000000000000 0.000000000000000 b 0.000000000000000 10.841048470000002 0.000000000000000 c -3.751737200595616 0.000000000000000 10.671016740771131 Atomic positions (fractional): *1 Nd 0.66679022103262 0.62391930085442 0.07204498743161 144.242 > 1 *2 Nd 0.47639797151101 0.60127071635554 0.71293348700073 144.242 > 2 3 Nd 0.52360202848899 0.10127071635555 0.78706651299927 144.242 > 3 *4 Nd 0.83470680170394 0.37771646378279 0.91167954497652 144.242 > 4 *5 Nd 0.02644885535288 0.08490337981102 0.81090943002785 144.242 > 5 6 Nd 0.47639797151101 0.89872928364446 0.21293348700073 144.242 > 6 7 Nd 0.33320977896738 0.12391930085442 0.42795501256839 144.242 > 7 8 Nd 0.97355114464712 0.91509662018898 0.18909056997215 144.242 > 8 9 Nd 0.52360202848899 0.39872928364445 0.28706651299927 144.242 > 9 10 Nd 0.16529319829606 0.87771646378279 0.58832045502348 144.242 > 10 11 Nd 0.02644885535288 0.41509662018898 0.31090943002785 144.242 > 11 12 Nd 0.66679022103262 0.87608069914558 0.57204498743161 144.242 > 12 13 Nd 0.83470680170394 0.12228353621721 0.41167954497652 144.242 > 13 14 Nd 0.33320977896738 0.37608069914558 0.92795501256839 144.242 > 14 15 Nd 0.16529319829606 0.62228353621721 0.08832045502348 144.242 > 15 16 Nd 0.97355114464712 0.58490337981102 0.68909056997215 144.242 > 16 *17 Al 0.34760276875200 0.80980009752964 0.88114128048496 26.982 > 17 *18 Al 0.22281255694318 0.19244625771813 0.12895555581508 26.982 > 18 19 Al 0.65239723124800 0.19019990247036 0.11885871951504 26.982 > 19 20 Al 0.77718744305682 0.80755374228187 0.87104444418492 26.982 > 20 21 Al 0.22281255694318 0.30755374228187 0.62895555581508 26.982 > 21 22 Al 0.34760276875200 0.69019990247036 0.38114128048496 26.982 > 22 23 Al 0.65239723124800 0.30980009752964 0.61885871951504 26.982 > 23 24 Al 0.77718744305682 0.69244625771813 0.37104444418492 26.982 > 24 *25 O 0.43162146967713 0.99108871473815 0.60238884301976 15.999 > 25 *26 O 0.92369441091269 0.00431925801580 0.60612299959007 15.999 > 26 *27 O 0.35941942141402 0.72818435644379 0.53387175011934 15.999 > 27 *28 O 0.21755620435354 0.78018536480540 0.25251311545660 15.999 > 28 *29 O 0.43407008763262 0.25642585533192 0.61670659307071 15.999 > 29 30 O 0.07630558908731 0.99568074198420 0.39387700040993 15.999 > 30 31 O 0.78244379564646 0.28018536480540 0.24748688454340 15.999 > 31 32 O 0.64058057858598 0.22818435644379 0.96612824988066 15.999 > 32 *33 O 0.70284044765345 0.46179576543631 0.67617323782363 15.999 > 33 *34 O 0.92129388850564 0.73394250982665 0.52048937504344 15.999 > 34 35 O 0.56592991236738 0.74357414466808 0.38329340692929 15.999 > 35 *36 O 0.78029832428022 0.96337547386779 0.83105567930467 15.999 > 36 37 O 0.56592991236738 0.75642585533192 0.88329340692929 15.999 > 37 38 O 0.43162146967713 0.50891128526185 0.10238884301976 15.999 > 38 39 O 0.21970167571978 0.46337547386779 0.66894432069533 15.999 > 39 40 O 0.64058057858598 0.27181564355621 0.46612824988066 15.999 > 40 41 O 0.43407008763262 0.24357414466808 0.11670659307071 15.999 > 41 *42 O 0.23265433604276 0.27816424349908 0.26440687608781 15.999 > 42 43 O 0.76734566395725 0.77816424349908 0.23559312391219 15.999 > 43 44 O 0.07870611149436 0.23394250982665 0.97951062495656 15.999 > 44 45 O 0.78244379564646 0.21981463519460 0.74748688454340 15.999 > 45 46 O 0.35941942141402 0.77181564355621 0.03387175011934 15.999 > 46 47 O 0.07630558908731 0.50431925801580 0.89387700040993 15.999 > 47 48 O 0.56837853032287 0.00891128526185 0.39761115698024 15.999 > 48 49 O 0.29715955234655 0.96179576543631 0.82382676217637 15.999 > 49 50 O 0.07870611149436 0.26605749017335 0.47951062495656 15.999 > 50 51 O 0.56837853032287 0.49108871473815 0.89761115698024 15.999 > 51 52 O 0.29715955234655 0.53820423456369 0.32382676217637 15.999 > 52 53 O 0.21755620435354 0.71981463519460 0.75251311545660 15.999 > 53 54 O 0.21970167571978 0.03662452613221 0.16894432069533 15.999 > 54 55 O 0.92369441091269 0.49568074198420 0.10612299959007 15.999 > 55 56 O 0.92129388850564 0.76605749017335 0.02048937504344 15.999 > 56 57 O 0.78029832428022 0.53662452613221 0.33105567930467 15.999 > 57 58 O 0.23265433604276 0.22183575650092 0.76440687608781 15.999 > 58 59 O 0.70284044765345 0.03820423456369 0.17617323782363 15.999 > 59 60 O 0.76734566395725 0.72183575650092 0.73559312391219 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.422647420350383 0.000000000000000 0.000000000000000 b 0.000000000000000 10.841048470000002 0.000000000000000 c -3.751737200595616 0.000000000000000 10.671016740771131 Atomic positions (fractional): *1 Nd 0.33339511051631 0.62391930085442 0.07204498743161 144.242 > 1 2 Nd 0.83339511051631 0.62391930085442 0.07204498743161 144.242 > 1 *3 Nd 0.23819898575550 0.60127071635554 0.71293348700073 144.242 > 2 4 Nd 0.73819898575550 0.60127071635554 0.71293348700073 144.242 > 2 5 Nd 0.26180101424450 0.10127071635555 0.78706651299927 144.242 > 3 6 Nd 0.76180101424450 0.10127071635555 0.78706651299927 144.242 > 3 *7 Nd 0.41735340085197 0.37771646378279 0.91167954497652 144.242 > 4 8 Nd 0.91735340085197 0.37771646378279 0.91167954497652 144.242 > 4 *9 Nd 0.01322442767644 0.08490337981102 0.81090943002785 144.242 > 5 10 Nd 0.51322442767644 0.08490337981102 0.81090943002785 144.242 > 5 11 Nd 0.23819898575550 0.89872928364446 0.21293348700073 144.242 > 6 12 Nd 0.73819898575550 0.89872928364446 0.21293348700073 144.242 > 6 13 Nd 0.16660488948369 0.12391930085442 0.42795501256839 144.242 > 7 14 Nd 0.66660488948369 0.12391930085442 0.42795501256839 144.242 > 7 15 Nd 0.48677557232356 0.91509662018898 0.18909056997215 144.242 > 8 16 Nd 0.98677557232356 0.91509662018898 0.18909056997215 144.242 > 8 17 Nd 0.26180101424450 0.39872928364445 0.28706651299927 144.242 > 9 18 Nd 0.76180101424450 0.39872928364445 0.28706651299927 144.242 > 9 19 Nd 0.08264659914803 0.87771646378279 0.58832045502348 144.242 > 10 20 Nd 0.58264659914803 0.87771646378279 0.58832045502348 144.242 > 10 21 Nd 0.01322442767644 0.41509662018898 0.31090943002785 144.242 > 11 22 Nd 0.51322442767644 0.41509662018898 0.31090943002785 144.242 > 11 23 Nd 0.33339511051631 0.87608069914558 0.57204498743161 144.242 > 12 24 Nd 0.83339511051631 0.87608069914558 0.57204498743161 144.242 > 12 25 Nd 0.41735340085197 0.12228353621721 0.41167954497652 144.242 > 13 26 Nd 0.91735340085197 0.12228353621721 0.41167954497652 144.242 > 13 27 Nd 0.16660488948369 0.37608069914558 0.92795501256839 144.242 > 14 28 Nd 0.66660488948369 0.37608069914558 0.92795501256839 144.242 > 14 29 Nd 0.08264659914803 0.62228353621721 0.08832045502348 144.242 > 15 30 Nd 0.58264659914803 0.62228353621721 0.08832045502348 144.242 > 15 31 Nd 0.48677557232356 0.58490337981102 0.68909056997215 144.242 > 16 32 Nd 0.98677557232356 0.58490337981102 0.68909056997215 144.242 > 16 *33 Al 0.17380138437600 0.80980009752964 0.88114128048496 26.982 > 17 34 Al 0.67380138437600 0.80980009752964 0.88114128048496 26.982 > 17 *35 Al 0.11140627847159 0.19244625771813 0.12895555581508 26.982 > 18 36 Al 0.61140627847159 0.19244625771813 0.12895555581508 26.982 > 18 37 Al 0.32619861562400 0.19019990247036 0.11885871951504 26.982 > 19 38 Al 0.82619861562400 0.19019990247036 0.11885871951504 26.982 > 19 39 Al 0.38859372152841 0.80755374228187 0.87104444418492 26.982 > 20 40 Al 0.88859372152841 0.80755374228187 0.87104444418492 26.982 > 20 41 Al 0.11140627847159 0.30755374228187 0.62895555581508 26.982 > 21 42 Al 0.61140627847159 0.30755374228187 0.62895555581508 26.982 > 21 43 Al 0.17380138437600 0.69019990247036 0.38114128048496 26.982 > 22 44 Al 0.67380138437600 0.69019990247036 0.38114128048496 26.982 > 22 45 Al 0.32619861562400 0.30980009752964 0.61885871951504 26.982 > 23 46 Al 0.82619861562400 0.30980009752964 0.61885871951504 26.982 > 23 47 Al 0.38859372152841 0.69244625771813 0.37104444418492 26.982 > 24 48 Al 0.88859372152841 0.69244625771813 0.37104444418492 26.982 > 24 *49 O 0.21581073483856 0.99108871473815 0.60238884301976 15.999 > 25 50 O 0.71581073483856 0.99108871473815 0.60238884301976 15.999 > 25 *51 O 0.46184720545635 0.00431925801580 0.60612299959007 15.999 > 26 52 O 0.96184720545635 0.00431925801580 0.60612299959007 15.999 > 26 *53 O 0.17970971070701 0.72818435644379 0.53387175011934 15.999 > 27 54 O 0.67970971070701 0.72818435644379 0.53387175011934 15.999 > 27 *55 O 0.10877810217677 0.78018536480540 0.25251311545660 15.999 > 28 56 O 0.60877810217677 0.78018536480540 0.25251311545660 15.999 > 28 *57 O 0.21703504381631 0.25642585533192 0.61670659307071 15.999 > 29 58 O 0.71703504381631 0.25642585533192 0.61670659307071 15.999 > 29 59 O 0.03815279454365 0.99568074198420 0.39387700040993 15.999 > 30 60 O 0.53815279454365 0.99568074198420 0.39387700040993 15.999 > 30 61 O 0.39122189782323 0.28018536480540 0.24748688454340 15.999 > 31 62 O 0.89122189782323 0.28018536480540 0.24748688454340 15.999 > 31 63 O 0.32029028929299 0.22818435644379 0.96612824988066 15.999 > 32 64 O 0.82029028929299 0.22818435644379 0.96612824988066 15.999 > 32 *65 O 0.35142022382673 0.46179576543631 0.67617323782363 15.999 > 33 66 O 0.85142022382673 0.46179576543631 0.67617323782363 15.999 > 33 *67 O 0.46064694425282 0.73394250982665 0.52048937504344 15.999 > 34 68 O 0.96064694425282 0.73394250982665 0.52048937504344 15.999 > 34 69 O 0.28296495618369 0.74357414466808 0.38329340692929 15.999 > 35 70 O 0.78296495618369 0.74357414466808 0.38329340692929 15.999 > 35 *71 O 0.39014916214011 0.96337547386779 0.83105567930467 15.999 > 36 72 O 0.89014916214011 0.96337547386779 0.83105567930467 15.999 > 36 73 O 0.28296495618369 0.75642585533192 0.88329340692929 15.999 > 37 74 O 0.78296495618369 0.75642585533192 0.88329340692929 15.999 > 37 75 O 0.21581073483856 0.50891128526185 0.10238884301976 15.999 > 38 76 O 0.71581073483856 0.50891128526185 0.10238884301976 15.999 > 38 77 O 0.10985083785989 0.46337547386779 0.66894432069533 15.999 > 39 78 O 0.60985083785989 0.46337547386779 0.66894432069533 15.999 > 39 79 O 0.32029028929299 0.27181564355621 0.46612824988066 15.999 > 40 80 O 0.82029028929299 0.27181564355621 0.46612824988066 15.999 > 40 81 O 0.21703504381631 0.24357414466808 0.11670659307071 15.999 > 41 82 O 0.71703504381631 0.24357414466808 0.11670659307071 15.999 > 41 *83 O 0.11632716802138 0.27816424349908 0.26440687608781 15.999 > 42 84 O 0.61632716802138 0.27816424349908 0.26440687608781 15.999 > 42 85 O 0.38367283197862 0.77816424349908 0.23559312391219 15.999 > 43 86 O 0.88367283197862 0.77816424349908 0.23559312391219 15.999 > 43 87 O 0.03935305574718 0.23394250982665 0.97951062495656 15.999 > 44 88 O 0.53935305574718 0.23394250982665 0.97951062495656 15.999 > 44 89 O 0.39122189782323 0.21981463519460 0.74748688454340 15.999 > 45 90 O 0.89122189782323 0.21981463519460 0.74748688454340 15.999 > 45 91 O 0.17970971070701 0.77181564355621 0.03387175011934 15.999 > 46 92 O 0.67970971070701 0.77181564355621 0.03387175011934 15.999 > 46 93 O 0.03815279454365 0.50431925801580 0.89387700040993 15.999 > 47 94 O 0.53815279454365 0.50431925801580 0.89387700040993 15.999 > 47 95 O 0.28418926516144 0.00891128526185 0.39761115698024 15.999 > 48 96 O 0.78418926516144 0.00891128526185 0.39761115698024 15.999 > 48 97 O 0.14857977617327 0.96179576543631 0.82382676217637 15.999 > 49 98 O 0.64857977617327 0.96179576543631 0.82382676217637 15.999 > 49 99 O 0.03935305574718 0.26605749017335 0.47951062495656 15.999 > 50 100 O 0.53935305574718 0.26605749017335 0.47951062495656 15.999 > 50 101 O 0.28418926516144 0.49108871473815 0.89761115698024 15.999 > 51 102 O 0.78418926516144 0.49108871473815 0.89761115698024 15.999 > 51 103 O 0.14857977617327 0.53820423456369 0.32382676217637 15.999 > 52 104 O 0.64857977617327 0.53820423456369 0.32382676217637 15.999 > 52 105 O 0.10877810217677 0.71981463519460 0.75251311545660 15.999 > 53 106 O 0.60877810217677 0.71981463519460 0.75251311545660 15.999 > 53 107 O 0.10985083785989 0.03662452613221 0.16894432069533 15.999 > 54 108 O 0.60985083785989 0.03662452613221 0.16894432069533 15.999 > 54 109 O 0.46184720545635 0.49568074198420 0.10612299959007 15.999 > 55 110 O 0.96184720545635 0.49568074198420 0.10612299959007 15.999 > 55 111 O 0.46064694425282 0.76605749017335 0.02048937504344 15.999 > 56 112 O 0.96064694425282 0.76605749017335 0.02048937504344 15.999 > 56 113 O 0.39014916214011 0.53662452613221 0.33105567930467 15.999 > 57 114 O 0.89014916214011 0.53662452613221 0.33105567930467 15.999 > 57 115 O 0.11632716802138 0.22183575650092 0.76440687608781 15.999 > 58 116 O 0.61632716802138 0.22183575650092 0.76440687608781 15.999 > 58 117 O 0.35142022382673 0.03820423456369 0.17617323782363 15.999 > 59 118 O 0.85142022382673 0.03820423456369 0.17617323782363 15.999 > 59 119 O 0.38367283197862 0.72183575650092 0.73559312391219 15.999 > 60 120 O 0.88367283197862 0.72183575650092 0.73559312391219 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9155984 0.0000000 0.0282578 0.0000000 3.8512607 0.0000000 0.0282567 0.0000000 3.7721828 -------------------------- Born effective charges -------------------------- 1 Nd 4.0124370 0.1020314 0.0956628 0.0872505 3.8289466 0.2072265 0.0532309 0.3067342 3.7417495 2 Nd 3.9596069 -0.0088121 0.0939893 -0.0111748 3.9781805 -0.5771695 0.1110831 -0.5763173 3.6876509 3 Nd 3.9596069 0.0088121 0.0939893 0.0111748 3.9781805 0.5771695 0.1110831 0.5763173 3.6876509 4 Nd 4.2811406 -0.0886745 -0.0086016 -0.0763867 3.8958215 0.3139026 0.0451293 0.4629275 3.3379977 5 Nd 4.4824487 -0.0403802 0.0046643 -0.0403678 3.9296719 0.6848499 -0.0114639 0.7312501 3.4982152 6 Nd 3.9596069 0.0088121 0.0939893 0.0111748 3.9781805 0.5771695 0.1110831 0.5763173 3.6876509 7 Nd 4.0124370 -0.1020314 0.0956628 -0.0872505 3.8289466 -0.2072265 0.0532309 -0.3067342 3.7417495 8 Nd 4.4824487 -0.0403802 0.0046643 -0.0403678 3.9296719 0.6848499 -0.0114639 0.7312501 3.4982152 9 Nd 3.9596069 -0.0088121 0.0939893 -0.0111748 3.9781805 -0.5771695 0.1110831 -0.5763173 3.6876509 10 Nd 4.2811406 0.0886745 -0.0086016 0.0763867 3.8958215 -0.3139026 0.0451293 -0.4629275 3.3379977 11 Nd 4.4824487 0.0403802 0.0046643 0.0403678 3.9296719 -0.6848499 -0.0114639 -0.7312501 3.4982152 12 Nd 4.0124370 -0.1020314 0.0956628 -0.0872505 3.8289466 -0.2072265 0.0532309 -0.3067342 3.7417495 13 Nd 4.2811406 0.0886745 -0.0086016 0.0763867 3.8958215 -0.3139026 0.0451293 -0.4629275 3.3379977 14 Nd 4.0124370 0.1020314 0.0956628 0.0872505 3.8289466 0.2072265 0.0532309 0.3067342 3.7417495 15 Nd 4.2811406 -0.0886745 -0.0086016 -0.0763867 3.8958215 0.3139026 0.0451293 0.4629275 3.3379977 16 Nd 4.4824487 0.0403802 0.0046643 0.0403678 3.9296719 -0.6848499 -0.0114639 -0.7312501 3.4982152 17 Al 2.1229607 -0.1569095 0.0347618 -0.2742337 2.5871888 -0.2886711 -0.0312798 -0.3779476 2.9061799 18 Al 2.1313438 0.1638686 -0.0054862 0.2877508 2.6204066 -0.3368220 0.0264865 -0.3393729 2.8170376 19 Al 2.1229607 -0.1569095 0.0347618 -0.2742337 2.5871888 -0.2886711 -0.0312798 -0.3779476 2.9061799 20 Al 2.1313438 0.1638686 -0.0054862 0.2877508 2.6204066 -0.3368220 0.0264865 -0.3393729 2.8170376 21 Al 2.1313438 -0.1638686 -0.0054862 -0.2877508 2.6204066 0.3368220 0.0264865 0.3393729 2.8170376 22 Al 2.1229607 0.1569095 0.0347618 0.2742337 2.5871888 0.2886711 -0.0312798 0.3779476 2.9061799 23 Al 2.1229607 0.1569095 0.0347618 0.2742337 2.5871888 0.2886711 -0.0312798 0.3779476 2.9061799 24 Al 2.1313438 -0.1638686 -0.0054862 -0.2877508 2.6204066 0.3368220 0.0264865 0.3393729 2.8170376 25 O -2.7341143 0.0902736 0.0170679 0.0414446 -2.4037610 -0.1967450 0.0406932 -0.0743758 -2.5887241 26 O -2.6350844 -0.0683078 -0.0304727 -0.0242551 -2.2260484 -0.2561689 -0.0778681 -0.0679676 -2.6911763 27 O -2.0350737 0.2586415 0.2359407 0.2048411 -2.1638203 0.1819125 0.1654092 0.2138980 -2.5857482 28 O -2.3127190 0.3675801 -0.2629346 0.2655459 -2.4192283 -0.0351240 -0.1805802 -0.1460193 -1.9951238 29 O -2.2742837 0.0074109 -0.0271721 0.0036162 -1.8458078 -0.1434573 -0.0034034 -0.1781786 -2.0774149 30 O -2.6350844 -0.0683078 -0.0304727 -0.0242551 -2.2260484 -0.2561689 -0.0778681 -0.0679676 -2.6911763 31 O -2.3127190 -0.3675801 -0.2629346 -0.2655459 -2.4192283 0.0351240 -0.1805802 0.1460193 -1.9951238 32 O -2.0350737 -0.2586415 0.2359407 -0.2048411 -2.1638203 -0.1819125 0.1654092 -0.2138980 -2.5857482 33 O -2.2612208 -0.0159304 0.0187064 -0.1005894 -2.5146120 -0.1983292 0.0150109 -0.2201447 -1.8175954 34 O -2.0886189 -0.2687758 -0.3021054 -0.2090848 -2.2383407 -0.0186936 -0.2487255 0.0881924 -2.3824357 35 O -2.2742837 0.0074109 -0.0271721 0.0036162 -1.8458078 -0.1434573 -0.0034034 -0.1781786 -2.0774149 36 O -2.3049289 -0.0377491 -0.0753441 -0.1250587 -2.5996348 0.2737630 -0.0496134 0.2940214 -1.7550403 37 O -2.2742837 -0.0074109 -0.0271721 -0.0036162 -1.8458078 0.1434573 -0.0034034 0.1781786 -2.0774149 38 O -2.7341143 -0.0902736 0.0170679 -0.0414446 -2.4037610 0.1967450 0.0406932 0.0743758 -2.5887241 39 O -2.3049289 0.0377491 -0.0753441 0.1250587 -2.5996348 -0.2737630 -0.0496134 -0.2940214 -1.7550403 40 O -2.0350737 0.2586415 0.2359407 0.2048411 -2.1638203 0.1819125 0.1654092 0.2138980 -2.5857482 41 O -2.2742837 -0.0074109 -0.0271721 -0.0036162 -1.8458078 0.1434573 -0.0034034 0.1781786 -2.0774149 42 O -2.3438940 0.3167960 0.2113234 0.1915340 -2.4289627 0.2042371 0.1458911 0.2533403 -2.0955720 43 O -2.3438940 -0.3167960 0.2113234 -0.1915340 -2.4289627 -0.2042371 0.1458911 -0.2533403 -2.0955720 44 O -2.0886189 0.2687758 -0.3021054 0.2090848 -2.2383407 0.0186936 -0.2487255 -0.0881924 -2.3824357 45 O -2.3127190 0.3675801 -0.2629346 0.2655459 -2.4192283 -0.0351240 -0.1805802 -0.1460193 -1.9951238 46 O -2.0350737 -0.2586415 0.2359407 -0.2048411 -2.1638203 -0.1819125 0.1654092 -0.2138980 -2.5857482 47 O -2.6350844 0.0683078 -0.0304727 0.0242551 -2.2260484 0.2561689 -0.0778681 0.0679676 -2.6911763 48 O -2.7341143 0.0902736 0.0170679 0.0414446 -2.4037610 -0.1967450 0.0406932 -0.0743758 -2.5887241 49 O -2.2612208 0.0159304 0.0187064 0.1005894 -2.5146120 0.1983292 0.0150109 0.2201447 -1.8175954 50 O -2.0886189 -0.2687758 -0.3021054 -0.2090848 -2.2383407 -0.0186936 -0.2487255 0.0881924 -2.3824357 51 O -2.7341143 -0.0902736 0.0170679 -0.0414446 -2.4037610 0.1967450 0.0406932 0.0743758 -2.5887241 52 O -2.2612208 -0.0159304 0.0187064 -0.1005894 -2.5146120 -0.1983292 0.0150109 -0.2201447 -1.8175954 53 O -2.3127190 -0.3675801 -0.2629346 -0.2655459 -2.4192283 0.0351240 -0.1805802 0.1460193 -1.9951238 54 O -2.3049289 -0.0377491 -0.0753441 -0.1250587 -2.5996348 0.2737630 -0.0496134 0.2940214 -1.7550403 55 O -2.6350844 0.0683078 -0.0304727 0.0242551 -2.2260484 0.2561689 -0.0778681 0.0679676 -2.6911763 56 O -2.0886189 0.2687758 -0.3021054 0.2090848 -2.2383407 0.0186936 -0.2487255 -0.0881924 -2.3824357 57 O -2.3049289 0.0377491 -0.0753441 0.1250587 -2.5996348 -0.2737630 -0.0496134 -0.2940214 -1.7550403 58 O -2.3438940 -0.3167960 0.2113234 -0.1915340 -2.4289627 -0.2042371 0.1458911 -0.2533403 -2.0955720 59 O -2.2612208 0.0159304 0.0187064 0.1005894 -2.5146120 0.1983292 0.0150109 0.2201447 -1.8175954 60 O -2.3438940 0.3167960 0.2113234 0.1915340 -2.4289627 0.2042371 0.1458911 0.2533403 -2.0955720 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 109 (1) Compute compressed projector. (1) Use standard solver. (1) 79 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 109 (1) Compute compressed projector. (1) Use standard solver. (1) 79 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 79), data: (1800, 109) @ (109, 79) |-- (300, 280), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 471), data: False |-- (500, 21), data: (500, 50) @ (50, 21) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 79), data: (1800, 109) @ (109, 79) |-- (300, 280), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 471), data: False |-- (500, 21), data: (500, 50) @ (50, 21) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.555 Solver_block: 200 / 1840 - Time: 2.154 Solver_block: 300 / 1840 - Time: 2.209 Solver_block: 400 / 1840 - Time: 2.131 Solver_block: 500 / 1840 - Time: 2.153 Solver_block: 600 / 1840 - Time: 2.162 Solver_block: 700 / 1840 - Time: 2.152 Solver_block: 800 / 1840 - Time: 2.146 Solver_block: 900 / 1840 - Time: 2.176 Solver_block: 1000 / 1840 - Time: 2.028 Solver_block: 1100 / 1840 - Time: 2.184 Solver_block: 1200 / 1840 - Time: 2.135 Solver_block: 1300 / 1840 - Time: 2.144 Solver_block: 1400 / 1840 - Time: 2.206 Solver_block: 1500 / 1840 - Time: 2.259 Solver_block: 1600 / 1840 - Time: 2.135 Solver_block: 1700 / 1840 - Time: 2.105 Solver_block: 1800 / 1840 - Time: 2.207 Solver_block: 1840 / 1840 - Time: 0.984 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 41.722 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 109 (1) Compute compressed projector. (1) Use standard solver. (1) 79 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1800 / 1800 (1) 280 eigenvectors found. (1) Complementary block size: 109 (1) Compute compressed projector. (1) Use standard solver. (1) 79 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1770), data: False |-- (1800, 79), data: (1800, 109) @ (109, 79) |-- (300, 280), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 471), data: False |-- (500, 21), data: (500, 50) @ (50, 21) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 79), data: (1800, 109) @ (109, 79) |-- (300, 280), data: True |-- (500, 470), data: False |-- (500, 24), data: (500, 54) @ (54, 24) |-- (250, 226), data: True |-- (250, 220), data: True |-- (500, 471), data: False |-- (500, 21), data: (500, 50) @ (50, 21) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:50:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:50:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.711323710175192 0.000000000000000 0.000000000000000 b 0.000000000000000 10.841048470000002 0.000000000000000 c -3.751737200595616 0.000000000000000 10.671016740771131 Atomic positions (fractional): 1 Nd 0.66679022103262 0.62391930085442 0.07204498743161 144.242 2 Nd 0.47639797151101 0.60127071635554 0.71293348700073 144.242 3 Nd 0.52360202848899 0.10127071635555 0.78706651299927 144.242 4 Nd 0.83470680170394 0.37771646378279 0.91167954497652 144.242 5 Nd 0.02644885535288 0.08490337981102 0.81090943002785 144.242 6 Nd 0.47639797151101 0.89872928364446 0.21293348700073 144.242 7 Nd 0.33320977896738 0.12391930085442 0.42795501256839 144.242 8 Nd 0.97355114464712 0.91509662018898 0.18909056997215 144.242 9 Nd 0.52360202848899 0.39872928364445 0.28706651299927 144.242 10 Nd 0.16529319829606 0.87771646378279 0.58832045502348 144.242 11 Nd 0.02644885535288 0.41509662018898 0.31090943002785 144.242 12 Nd 0.66679022103262 0.87608069914558 0.57204498743161 144.242 13 Nd 0.83470680170394 0.12228353621721 0.41167954497652 144.242 14 Nd 0.33320977896738 0.37608069914558 0.92795501256839 144.242 15 Nd 0.16529319829606 0.62228353621721 0.08832045502348 144.242 16 Nd 0.97355114464712 0.58490337981102 0.68909056997215 144.242 17 Al 0.34760276875200 0.80980009752964 0.88114128048496 26.982 18 Al 0.22281255694318 0.19244625771813 0.12895555581508 26.982 19 Al 0.65239723124800 0.19019990247036 0.11885871951504 26.982 20 Al 0.77718744305682 0.80755374228187 0.87104444418492 26.982 21 Al 0.22281255694318 0.30755374228187 0.62895555581508 26.982 22 Al 0.34760276875200 0.69019990247036 0.38114128048496 26.982 23 Al 0.65239723124800 0.30980009752964 0.61885871951504 26.982 24 Al 0.77718744305682 0.69244625771813 0.37104444418492 26.982 25 O 0.43162146967713 0.99108871473815 0.60238884301976 15.999 26 O 0.92369441091269 0.00431925801580 0.60612299959007 15.999 27 O 0.35941942141402 0.72818435644379 0.53387175011934 15.999 28 O 0.21755620435354 0.78018536480540 0.25251311545660 15.999 29 O 0.43407008763262 0.25642585533192 0.61670659307071 15.999 30 O 0.07630558908731 0.99568074198420 0.39387700040993 15.999 31 O 0.78244379564646 0.28018536480540 0.24748688454340 15.999 32 O 0.64058057858598 0.22818435644379 0.96612824988066 15.999 33 O 0.70284044765345 0.46179576543631 0.67617323782363 15.999 34 O 0.92129388850564 0.73394250982665 0.52048937504344 15.999 35 O 0.56592991236738 0.74357414466808 0.38329340692929 15.999 36 O 0.78029832428022 0.96337547386779 0.83105567930467 15.999 37 O 0.56592991236738 0.75642585533192 0.88329340692929 15.999 38 O 0.43162146967713 0.50891128526185 0.10238884301976 15.999 39 O 0.21970167571978 0.46337547386779 0.66894432069533 15.999 40 O 0.64058057858598 0.27181564355621 0.46612824988066 15.999 41 O 0.43407008763262 0.24357414466808 0.11670659307071 15.999 42 O 0.23265433604276 0.27816424349908 0.26440687608781 15.999 43 O 0.76734566395725 0.77816424349908 0.23559312391219 15.999 44 O 0.07870611149436 0.23394250982665 0.97951062495656 15.999 45 O 0.78244379564646 0.21981463519460 0.74748688454340 15.999 46 O 0.35941942141402 0.77181564355621 0.03387175011934 15.999 47 O 0.07630558908731 0.50431925801580 0.89387700040993 15.999 48 O 0.56837853032287 0.00891128526185 0.39761115698024 15.999 49 O 0.29715955234655 0.96179576543631 0.82382676217637 15.999 50 O 0.07870611149436 0.26605749017335 0.47951062495656 15.999 51 O 0.56837853032287 0.49108871473815 0.89761115698024 15.999 52 O 0.29715955234655 0.53820423456369 0.32382676217637 15.999 53 O 0.21755620435354 0.71981463519460 0.75251311545660 15.999 54 O 0.21970167571978 0.03662452613221 0.16894432069533 15.999 55 O 0.92369441091269 0.49568074198420 0.10612299959007 15.999 56 O 0.92129388850564 0.76605749017335 0.02048937504344 15.999 57 O 0.78029832428022 0.53662452613221 0.33105567930467 15.999 58 O 0.23265433604276 0.22183575650092 0.76440687608781 15.999 59 O 0.70284044765345 0.03820423456369 0.17617323782363 15.999 60 O 0.76734566395725 0.72183575650092 0.73559312391219 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.422647420350383 0.000000000000000 0.000000000000000 b 0.000000000000000 10.841048470000002 0.000000000000000 c -3.751737200595616 0.000000000000000 10.671016740771131 Atomic positions (fractional): 1 Nd 0.33339511051631 0.62391930085442 0.07204498743161 144.242 > 1 2 Nd 0.83339511051631 0.62391930085442 0.07204498743161 144.242 > 1 3 Nd 0.23819898575550 0.60127071635554 0.71293348700073 144.242 > 3 4 Nd 0.73819898575550 0.60127071635554 0.71293348700073 144.242 > 3 5 Nd 0.26180101424450 0.10127071635555 0.78706651299927 144.242 > 5 6 Nd 0.76180101424450 0.10127071635555 0.78706651299927 144.242 > 5 7 Nd 0.41735340085197 0.37771646378279 0.91167954497652 144.242 > 7 8 Nd 0.91735340085197 0.37771646378279 0.91167954497652 144.242 > 7 9 Nd 0.01322442767644 0.08490337981102 0.81090943002785 144.242 > 9 10 Nd 0.51322442767644 0.08490337981102 0.81090943002785 144.242 > 9 11 Nd 0.23819898575550 0.89872928364446 0.21293348700073 144.242 > 11 12 Nd 0.73819898575550 0.89872928364446 0.21293348700073 144.242 > 11 13 Nd 0.16660488948369 0.12391930085442 0.42795501256839 144.242 > 13 14 Nd 0.66660488948369 0.12391930085442 0.42795501256839 144.242 > 13 15 Nd 0.48677557232356 0.91509662018898 0.18909056997215 144.242 > 15 16 Nd 0.98677557232356 0.91509662018898 0.18909056997215 144.242 > 15 17 Nd 0.26180101424450 0.39872928364445 0.28706651299927 144.242 > 17 18 Nd 0.76180101424450 0.39872928364445 0.28706651299927 144.242 > 17 19 Nd 0.08264659914803 0.87771646378279 0.58832045502348 144.242 > 19 20 Nd 0.58264659914803 0.87771646378279 0.58832045502348 144.242 > 19 21 Nd 0.01322442767644 0.41509662018898 0.31090943002785 144.242 > 21 22 Nd 0.51322442767644 0.41509662018898 0.31090943002785 144.242 > 21 23 Nd 0.33339511051631 0.87608069914558 0.57204498743161 144.242 > 23 24 Nd 0.83339511051631 0.87608069914558 0.57204498743161 144.242 > 23 25 Nd 0.41735340085197 0.12228353621721 0.41167954497652 144.242 > 25 26 Nd 0.91735340085197 0.12228353621721 0.41167954497652 144.242 > 25 27 Nd 0.16660488948369 0.37608069914558 0.92795501256839 144.242 > 27 28 Nd 0.66660488948369 0.37608069914558 0.92795501256839 144.242 > 27 29 Nd 0.08264659914803 0.62228353621721 0.08832045502348 144.242 > 29 30 Nd 0.58264659914803 0.62228353621721 0.08832045502348 144.242 > 29 31 Nd 0.48677557232356 0.58490337981102 0.68909056997215 144.242 > 31 32 Nd 0.98677557232356 0.58490337981102 0.68909056997215 144.242 > 31 33 Al 0.17380138437600 0.80980009752964 0.88114128048496 26.982 > 33 34 Al 0.67380138437600 0.80980009752964 0.88114128048496 26.982 > 33 35 Al 0.11140627847159 0.19244625771813 0.12895555581508 26.982 > 35 36 Al 0.61140627847159 0.19244625771813 0.12895555581508 26.982 > 35 37 Al 0.32619861562400 0.19019990247036 0.11885871951504 26.982 > 37 38 Al 0.82619861562400 0.19019990247036 0.11885871951504 26.982 > 37 39 Al 0.38859372152841 0.80755374228187 0.87104444418492 26.982 > 39 40 Al 0.88859372152841 0.80755374228187 0.87104444418492 26.982 > 39 41 Al 0.11140627847159 0.30755374228187 0.62895555581508 26.982 > 41 42 Al 0.61140627847159 0.30755374228187 0.62895555581508 26.982 > 41 43 Al 0.17380138437600 0.69019990247036 0.38114128048496 26.982 > 43 44 Al 0.67380138437600 0.69019990247036 0.38114128048496 26.982 > 43 45 Al 0.32619861562400 0.30980009752964 0.61885871951504 26.982 > 45 46 Al 0.82619861562400 0.30980009752964 0.61885871951504 26.982 > 45 47 Al 0.38859372152841 0.69244625771813 0.37104444418492 26.982 > 47 48 Al 0.88859372152841 0.69244625771813 0.37104444418492 26.982 > 47 49 O 0.21581073483856 0.99108871473815 0.60238884301976 15.999 > 49 50 O 0.71581073483856 0.99108871473815 0.60238884301976 15.999 > 49 51 O 0.46184720545635 0.00431925801580 0.60612299959007 15.999 > 51 52 O 0.96184720545635 0.00431925801580 0.60612299959007 15.999 > 51 53 O 0.17970971070701 0.72818435644379 0.53387175011934 15.999 > 53 54 O 0.67970971070701 0.72818435644379 0.53387175011934 15.999 > 53 55 O 0.10877810217677 0.78018536480540 0.25251311545660 15.999 > 55 56 O 0.60877810217677 0.78018536480540 0.25251311545660 15.999 > 55 57 O 0.21703504381631 0.25642585533192 0.61670659307071 15.999 > 57 58 O 0.71703504381631 0.25642585533192 0.61670659307071 15.999 > 57 59 O 0.03815279454365 0.99568074198420 0.39387700040993 15.999 > 59 60 O 0.53815279454365 0.99568074198420 0.39387700040993 15.999 > 59 61 O 0.39122189782323 0.28018536480540 0.24748688454340 15.999 > 61 62 O 0.89122189782323 0.28018536480540 0.24748688454340 15.999 > 61 63 O 0.32029028929299 0.22818435644379 0.96612824988066 15.999 > 63 64 O 0.82029028929299 0.22818435644379 0.96612824988066 15.999 > 63 65 O 0.35142022382673 0.46179576543631 0.67617323782363 15.999 > 65 66 O 0.85142022382673 0.46179576543631 0.67617323782363 15.999 > 65 67 O 0.46064694425282 0.73394250982665 0.52048937504344 15.999 > 67 68 O 0.96064694425282 0.73394250982665 0.52048937504344 15.999 > 67 69 O 0.28296495618369 0.74357414466808 0.38329340692929 15.999 > 69 70 O 0.78296495618369 0.74357414466808 0.38329340692929 15.999 > 69 71 O 0.39014916214011 0.96337547386779 0.83105567930467 15.999 > 71 72 O 0.89014916214011 0.96337547386779 0.83105567930467 15.999 > 71 73 O 0.28296495618369 0.75642585533192 0.88329340692929 15.999 > 73 74 O 0.78296495618369 0.75642585533192 0.88329340692929 15.999 > 73 75 O 0.21581073483856 0.50891128526185 0.10238884301976 15.999 > 75 76 O 0.71581073483856 0.50891128526185 0.10238884301976 15.999 > 75 77 O 0.10985083785989 0.46337547386779 0.66894432069533 15.999 > 77 78 O 0.60985083785989 0.46337547386779 0.66894432069533 15.999 > 77 79 O 0.32029028929299 0.27181564355621 0.46612824988066 15.999 > 79 80 O 0.82029028929299 0.27181564355621 0.46612824988066 15.999 > 79 81 O 0.21703504381631 0.24357414466808 0.11670659307071 15.999 > 81 82 O 0.71703504381631 0.24357414466808 0.11670659307071 15.999 > 81 83 O 0.11632716802138 0.27816424349908 0.26440687608781 15.999 > 83 84 O 0.61632716802138 0.27816424349908 0.26440687608781 15.999 > 83 85 O 0.38367283197862 0.77816424349908 0.23559312391219 15.999 > 85 86 O 0.88367283197862 0.77816424349908 0.23559312391219 15.999 > 85 87 O 0.03935305574718 0.23394250982665 0.97951062495656 15.999 > 87 88 O 0.53935305574718 0.23394250982665 0.97951062495656 15.999 > 87 89 O 0.39122189782323 0.21981463519460 0.74748688454340 15.999 > 89 90 O 0.89122189782323 0.21981463519460 0.74748688454340 15.999 > 89 91 O 0.17970971070701 0.77181564355621 0.03387175011934 15.999 > 91 92 O 0.67970971070701 0.77181564355621 0.03387175011934 15.999 > 91 93 O 0.03815279454365 0.50431925801580 0.89387700040993 15.999 > 93 94 O 0.53815279454365 0.50431925801580 0.89387700040993 15.999 > 93 95 O 0.28418926516144 0.00891128526185 0.39761115698024 15.999 > 95 96 O 0.78418926516144 0.00891128526185 0.39761115698024 15.999 > 95 97 O 0.14857977617327 0.96179576543631 0.82382676217637 15.999 > 97 98 O 0.64857977617327 0.96179576543631 0.82382676217637 15.999 > 97 99 O 0.03935305574718 0.26605749017335 0.47951062495656 15.999 > 99 100 O 0.53935305574718 0.26605749017335 0.47951062495656 15.999 > 99 101 O 0.28418926516144 0.49108871473815 0.89761115698024 15.999 > 101 102 O 0.78418926516144 0.49108871473815 0.89761115698024 15.999 > 101 103 O 0.14857977617327 0.53820423456369 0.32382676217637 15.999 > 103 104 O 0.64857977617327 0.53820423456369 0.32382676217637 15.999 > 103 105 O 0.10877810217677 0.71981463519460 0.75251311545660 15.999 > 105 106 O 0.60877810217677 0.71981463519460 0.75251311545660 15.999 > 105 107 O 0.10985083785989 0.03662452613221 0.16894432069533 15.999 > 107 108 O 0.60985083785989 0.03662452613221 0.16894432069533 15.999 > 107 109 O 0.46184720545635 0.49568074198420 0.10612299959007 15.999 > 109 110 O 0.96184720545635 0.49568074198420 0.10612299959007 15.999 > 109 111 O 0.46064694425282 0.76605749017335 0.02048937504344 15.999 > 111 112 O 0.96064694425282 0.76605749017335 0.02048937504344 15.999 > 111 113 O 0.39014916214011 0.53662452613221 0.33105567930467 15.999 > 113 114 O 0.89014916214011 0.53662452613221 0.33105567930467 15.999 > 113 115 O 0.11632716802138 0.22183575650092 0.76440687608781 15.999 > 115 116 O 0.61632716802138 0.22183575650092 0.76440687608781 15.999 > 115 117 O 0.35142022382673 0.03820423456369 0.17617323782363 15.999 > 117 118 O 0.85142022382673 0.03820423456369 0.17617323782363 15.999 > 117 119 O 0.38367283197862 0.72183575650092 0.73559312391219 15.999 > 119 120 O 0.88367283197862 0.72183575650092 0.73559312391219 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9155984 0.0000000 0.0282578 0.0000000 3.8512607 0.0000000 0.0282567 0.0000000 3.7721828 -------------------------- Born effective charges -------------------------- 1 Nd 4.0124370 0.1020314 0.0956628 0.0872505 3.8289466 0.2072265 0.0532309 0.3067342 3.7417495 2 Nd 3.9596069 -0.0088121 0.0939893 -0.0111748 3.9781805 -0.5771695 0.1110831 -0.5763173 3.6876509 3 Nd 3.9596069 0.0088121 0.0939893 0.0111748 3.9781805 0.5771695 0.1110831 0.5763173 3.6876509 4 Nd 4.2811406 -0.0886745 -0.0086016 -0.0763867 3.8958215 0.3139026 0.0451293 0.4629275 3.3379977 5 Nd 4.4824487 -0.0403802 0.0046643 -0.0403678 3.9296719 0.6848499 -0.0114639 0.7312501 3.4982152 6 Nd 3.9596069 0.0088121 0.0939893 0.0111748 3.9781805 0.5771695 0.1110831 0.5763173 3.6876509 7 Nd 4.0124370 -0.1020314 0.0956628 -0.0872505 3.8289466 -0.2072265 0.0532309 -0.3067342 3.7417495 8 Nd 4.4824487 -0.0403802 0.0046643 -0.0403678 3.9296719 0.6848499 -0.0114639 0.7312501 3.4982152 9 Nd 3.9596069 -0.0088121 0.0939893 -0.0111748 3.9781805 -0.5771695 0.1110831 -0.5763173 3.6876509 10 Nd 4.2811406 0.0886745 -0.0086016 0.0763867 3.8958215 -0.3139026 0.0451293 -0.4629275 3.3379977 11 Nd 4.4824487 0.0403802 0.0046643 0.0403678 3.9296719 -0.6848499 -0.0114639 -0.7312501 3.4982152 12 Nd 4.0124370 -0.1020314 0.0956628 -0.0872505 3.8289466 -0.2072265 0.0532309 -0.3067342 3.7417495 13 Nd 4.2811406 0.0886745 -0.0086016 0.0763867 3.8958215 -0.3139026 0.0451293 -0.4629275 3.3379977 14 Nd 4.0124370 0.1020314 0.0956628 0.0872505 3.8289466 0.2072265 0.0532309 0.3067342 3.7417495 15 Nd 4.2811406 -0.0886745 -0.0086016 -0.0763867 3.8958215 0.3139026 0.0451293 0.4629275 3.3379977 16 Nd 4.4824487 0.0403802 0.0046643 0.0403678 3.9296719 -0.6848499 -0.0114639 -0.7312501 3.4982152 17 Al 2.1229607 -0.1569095 0.0347618 -0.2742337 2.5871888 -0.2886711 -0.0312798 -0.3779476 2.9061799 18 Al 2.1313438 0.1638686 -0.0054862 0.2877508 2.6204066 -0.3368220 0.0264865 -0.3393729 2.8170376 19 Al 2.1229607 -0.1569095 0.0347618 -0.2742337 2.5871888 -0.2886711 -0.0312798 -0.3779476 2.9061799 20 Al 2.1313438 0.1638686 -0.0054862 0.2877508 2.6204066 -0.3368220 0.0264865 -0.3393729 2.8170376 21 Al 2.1313438 -0.1638686 -0.0054862 -0.2877508 2.6204066 0.3368220 0.0264865 0.3393729 2.8170376 22 Al 2.1229607 0.1569095 0.0347618 0.2742337 2.5871888 0.2886711 -0.0312798 0.3779476 2.9061799 23 Al 2.1229607 0.1569095 0.0347618 0.2742337 2.5871888 0.2886711 -0.0312798 0.3779476 2.9061799 24 Al 2.1313438 -0.1638686 -0.0054862 -0.2877508 2.6204066 0.3368220 0.0264865 0.3393729 2.8170376 25 O -2.7341143 0.0902736 0.0170679 0.0414446 -2.4037610 -0.1967450 0.0406932 -0.0743758 -2.5887241 26 O -2.6350844 -0.0683078 -0.0304727 -0.0242551 -2.2260484 -0.2561689 -0.0778681 -0.0679676 -2.6911763 27 O -2.0350737 0.2586415 0.2359407 0.2048411 -2.1638203 0.1819125 0.1654092 0.2138980 -2.5857482 28 O -2.3127190 0.3675801 -0.2629346 0.2655459 -2.4192283 -0.0351240 -0.1805802 -0.1460193 -1.9951238 29 O -2.2742837 0.0074109 -0.0271721 0.0036162 -1.8458078 -0.1434573 -0.0034034 -0.1781786 -2.0774149 30 O -2.6350844 -0.0683078 -0.0304727 -0.0242551 -2.2260484 -0.2561689 -0.0778681 -0.0679676 -2.6911763 31 O -2.3127190 -0.3675801 -0.2629346 -0.2655459 -2.4192283 0.0351240 -0.1805802 0.1460193 -1.9951238 32 O -2.0350737 -0.2586415 0.2359407 -0.2048411 -2.1638203 -0.1819125 0.1654092 -0.2138980 -2.5857482 33 O -2.2612208 -0.0159304 0.0187064 -0.1005894 -2.5146120 -0.1983292 0.0150109 -0.2201447 -1.8175954 34 O -2.0886189 -0.2687758 -0.3021054 -0.2090848 -2.2383407 -0.0186936 -0.2487255 0.0881924 -2.3824357 35 O -2.2742837 0.0074109 -0.0271721 0.0036162 -1.8458078 -0.1434573 -0.0034034 -0.1781786 -2.0774149 36 O -2.3049289 -0.0377491 -0.0753441 -0.1250587 -2.5996348 0.2737630 -0.0496134 0.2940214 -1.7550403 37 O -2.2742837 -0.0074109 -0.0271721 -0.0036162 -1.8458078 0.1434573 -0.0034034 0.1781786 -2.0774149 38 O -2.7341143 -0.0902736 0.0170679 -0.0414446 -2.4037610 0.1967450 0.0406932 0.0743758 -2.5887241 39 O -2.3049289 0.0377491 -0.0753441 0.1250587 -2.5996348 -0.2737630 -0.0496134 -0.2940214 -1.7550403 40 O -2.0350737 0.2586415 0.2359407 0.2048411 -2.1638203 0.1819125 0.1654092 0.2138980 -2.5857482 41 O -2.2742837 -0.0074109 -0.0271721 -0.0036162 -1.8458078 0.1434573 -0.0034034 0.1781786 -2.0774149 42 O -2.3438940 0.3167960 0.2113234 0.1915340 -2.4289627 0.2042371 0.1458911 0.2533403 -2.0955720 43 O -2.3438940 -0.3167960 0.2113234 -0.1915340 -2.4289627 -0.2042371 0.1458911 -0.2533403 -2.0955720 44 O -2.0886189 0.2687758 -0.3021054 0.2090848 -2.2383407 0.0186936 -0.2487255 -0.0881924 -2.3824357 45 O -2.3127190 0.3675801 -0.2629346 0.2655459 -2.4192283 -0.0351240 -0.1805802 -0.1460193 -1.9951238 46 O -2.0350737 -0.2586415 0.2359407 -0.2048411 -2.1638203 -0.1819125 0.1654092 -0.2138980 -2.5857482 47 O -2.6350844 0.0683078 -0.0304727 0.0242551 -2.2260484 0.2561689 -0.0778681 0.0679676 -2.6911763 48 O -2.7341143 0.0902736 0.0170679 0.0414446 -2.4037610 -0.1967450 0.0406932 -0.0743758 -2.5887241 49 O -2.2612208 0.0159304 0.0187064 0.1005894 -2.5146120 0.1983292 0.0150109 0.2201447 -1.8175954 50 O -2.0886189 -0.2687758 -0.3021054 -0.2090848 -2.2383407 -0.0186936 -0.2487255 0.0881924 -2.3824357 51 O -2.7341143 -0.0902736 0.0170679 -0.0414446 -2.4037610 0.1967450 0.0406932 0.0743758 -2.5887241 52 O -2.2612208 -0.0159304 0.0187064 -0.1005894 -2.5146120 -0.1983292 0.0150109 -0.2201447 -1.8175954 53 O -2.3127190 -0.3675801 -0.2629346 -0.2655459 -2.4192283 0.0351240 -0.1805802 0.1460193 -1.9951238 54 O -2.3049289 -0.0377491 -0.0753441 -0.1250587 -2.5996348 0.2737630 -0.0496134 0.2940214 -1.7550403 55 O -2.6350844 0.0683078 -0.0304727 0.0242551 -2.2260484 0.2561689 -0.0778681 0.0679676 -2.6911763 56 O -2.0886189 0.2687758 -0.3021054 0.2090848 -2.2383407 0.0186936 -0.2487255 -0.0881924 -2.3824357 57 O -2.3049289 0.0377491 -0.0753441 0.1250587 -2.5996348 -0.2737630 -0.0496134 -0.2940214 -1.7550403 58 O -2.3438940 -0.3167960 0.2113234 -0.1915340 -2.4289627 -0.2042371 0.1458911 -0.2533403 -2.0955720 59 O -2.2612208 0.0159304 0.0187064 0.1005894 -2.5146120 0.1983292 0.0150109 0.2201447 -1.8175954 60 O -2.3438940 0.3167960 0.2113234 0.1915340 -2.4289627 0.2042371 0.1458911 0.2533403 -2.0955720 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 83, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:51:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:51:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.711323710175192 0.000000000000000 0.000000000000000 b 0.000000000000000 10.841048470000002 0.000000000000000 c -3.751737200595616 0.000000000000000 10.671016740771131 Atomic positions (fractional): 1 Nd 0.66679022103262 0.62391930085442 0.07204498743161 144.242 2 Nd 0.47639797151101 0.60127071635554 0.71293348700073 144.242 3 Nd 0.52360202848899 0.10127071635555 0.78706651299927 144.242 4 Nd 0.83470680170394 0.37771646378279 0.91167954497652 144.242 5 Nd 0.02644885535288 0.08490337981102 0.81090943002785 144.242 6 Nd 0.47639797151101 0.89872928364446 0.21293348700073 144.242 7 Nd 0.33320977896738 0.12391930085442 0.42795501256839 144.242 8 Nd 0.97355114464712 0.91509662018898 0.18909056997215 144.242 9 Nd 0.52360202848899 0.39872928364445 0.28706651299927 144.242 10 Nd 0.16529319829606 0.87771646378279 0.58832045502348 144.242 11 Nd 0.02644885535288 0.41509662018898 0.31090943002785 144.242 12 Nd 0.66679022103262 0.87608069914558 0.57204498743161 144.242 13 Nd 0.83470680170394 0.12228353621721 0.41167954497652 144.242 14 Nd 0.33320977896738 0.37608069914558 0.92795501256839 144.242 15 Nd 0.16529319829606 0.62228353621721 0.08832045502348 144.242 16 Nd 0.97355114464712 0.58490337981102 0.68909056997215 144.242 17 Al 0.34760276875200 0.80980009752964 0.88114128048496 26.982 18 Al 0.22281255694318 0.19244625771813 0.12895555581508 26.982 19 Al 0.65239723124800 0.19019990247036 0.11885871951504 26.982 20 Al 0.77718744305682 0.80755374228187 0.87104444418492 26.982 21 Al 0.22281255694318 0.30755374228187 0.62895555581508 26.982 22 Al 0.34760276875200 0.69019990247036 0.38114128048496 26.982 23 Al 0.65239723124800 0.30980009752964 0.61885871951504 26.982 24 Al 0.77718744305682 0.69244625771813 0.37104444418492 26.982 25 O 0.43162146967713 0.99108871473815 0.60238884301976 15.999 26 O 0.92369441091269 0.00431925801580 0.60612299959007 15.999 27 O 0.35941942141402 0.72818435644379 0.53387175011934 15.999 28 O 0.21755620435354 0.78018536480540 0.25251311545660 15.999 29 O 0.43407008763262 0.25642585533192 0.61670659307071 15.999 30 O 0.07630558908731 0.99568074198420 0.39387700040993 15.999 31 O 0.78244379564646 0.28018536480540 0.24748688454340 15.999 32 O 0.64058057858598 0.22818435644379 0.96612824988066 15.999 33 O 0.70284044765345 0.46179576543631 0.67617323782363 15.999 34 O 0.92129388850564 0.73394250982665 0.52048937504344 15.999 35 O 0.56592991236738 0.74357414466808 0.38329340692929 15.999 36 O 0.78029832428022 0.96337547386779 0.83105567930467 15.999 37 O 0.56592991236738 0.75642585533192 0.88329340692929 15.999 38 O 0.43162146967713 0.50891128526185 0.10238884301976 15.999 39 O 0.21970167571978 0.46337547386779 0.66894432069533 15.999 40 O 0.64058057858598 0.27181564355621 0.46612824988066 15.999 41 O 0.43407008763262 0.24357414466808 0.11670659307071 15.999 42 O 0.23265433604276 0.27816424349908 0.26440687608781 15.999 43 O 0.76734566395725 0.77816424349908 0.23559312391219 15.999 44 O 0.07870611149436 0.23394250982665 0.97951062495656 15.999 45 O 0.78244379564646 0.21981463519460 0.74748688454340 15.999 46 O 0.35941942141402 0.77181564355621 0.03387175011934 15.999 47 O 0.07630558908731 0.50431925801580 0.89387700040993 15.999 48 O 0.56837853032287 0.00891128526185 0.39761115698024 15.999 49 O 0.29715955234655 0.96179576543631 0.82382676217637 15.999 50 O 0.07870611149436 0.26605749017335 0.47951062495656 15.999 51 O 0.56837853032287 0.49108871473815 0.89761115698024 15.999 52 O 0.29715955234655 0.53820423456369 0.32382676217637 15.999 53 O 0.21755620435354 0.71981463519460 0.75251311545660 15.999 54 O 0.21970167571978 0.03662452613221 0.16894432069533 15.999 55 O 0.92369441091269 0.49568074198420 0.10612299959007 15.999 56 O 0.92129388850564 0.76605749017335 0.02048937504344 15.999 57 O 0.78029832428022 0.53662452613221 0.33105567930467 15.999 58 O 0.23265433604276 0.22183575650092 0.76440687608781 15.999 59 O 0.70284044765345 0.03820423456369 0.17617323782363 15.999 60 O 0.76734566395725 0.72183575650092 0.73559312391219 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.422647420350383 0.000000000000000 0.000000000000000 b 0.000000000000000 10.841048470000002 0.000000000000000 c -3.751737200595616 0.000000000000000 10.671016740771131 Atomic positions (fractional): 1 Nd 0.33339511051631 0.62391930085442 0.07204498743161 144.242 > 1 2 Nd 0.83339511051631 0.62391930085442 0.07204498743161 144.242 > 1 3 Nd 0.23819898575550 0.60127071635554 0.71293348700073 144.242 > 3 4 Nd 0.73819898575550 0.60127071635554 0.71293348700073 144.242 > 3 5 Nd 0.26180101424450 0.10127071635555 0.78706651299927 144.242 > 5 6 Nd 0.76180101424450 0.10127071635555 0.78706651299927 144.242 > 5 7 Nd 0.41735340085197 0.37771646378279 0.91167954497652 144.242 > 7 8 Nd 0.91735340085197 0.37771646378279 0.91167954497652 144.242 > 7 9 Nd 0.01322442767644 0.08490337981102 0.81090943002785 144.242 > 9 10 Nd 0.51322442767644 0.08490337981102 0.81090943002785 144.242 > 9 11 Nd 0.23819898575550 0.89872928364446 0.21293348700073 144.242 > 11 12 Nd 0.73819898575550 0.89872928364446 0.21293348700073 144.242 > 11 13 Nd 0.16660488948369 0.12391930085442 0.42795501256839 144.242 > 13 14 Nd 0.66660488948369 0.12391930085442 0.42795501256839 144.242 > 13 15 Nd 0.48677557232356 0.91509662018898 0.18909056997215 144.242 > 15 16 Nd 0.98677557232356 0.91509662018898 0.18909056997215 144.242 > 15 17 Nd 0.26180101424450 0.39872928364445 0.28706651299927 144.242 > 17 18 Nd 0.76180101424450 0.39872928364445 0.28706651299927 144.242 > 17 19 Nd 0.08264659914803 0.87771646378279 0.58832045502348 144.242 > 19 20 Nd 0.58264659914803 0.87771646378279 0.58832045502348 144.242 > 19 21 Nd 0.01322442767644 0.41509662018898 0.31090943002785 144.242 > 21 22 Nd 0.51322442767644 0.41509662018898 0.31090943002785 144.242 > 21 23 Nd 0.33339511051631 0.87608069914558 0.57204498743161 144.242 > 23 24 Nd 0.83339511051631 0.87608069914558 0.57204498743161 144.242 > 23 25 Nd 0.41735340085197 0.12228353621721 0.41167954497652 144.242 > 25 26 Nd 0.91735340085197 0.12228353621721 0.41167954497652 144.242 > 25 27 Nd 0.16660488948369 0.37608069914558 0.92795501256839 144.242 > 27 28 Nd 0.66660488948369 0.37608069914558 0.92795501256839 144.242 > 27 29 Nd 0.08264659914803 0.62228353621721 0.08832045502348 144.242 > 29 30 Nd 0.58264659914803 0.62228353621721 0.08832045502348 144.242 > 29 31 Nd 0.48677557232356 0.58490337981102 0.68909056997215 144.242 > 31 32 Nd 0.98677557232356 0.58490337981102 0.68909056997215 144.242 > 31 33 Al 0.17380138437600 0.80980009752964 0.88114128048496 26.982 > 33 34 Al 0.67380138437600 0.80980009752964 0.88114128048496 26.982 > 33 35 Al 0.11140627847159 0.19244625771813 0.12895555581508 26.982 > 35 36 Al 0.61140627847159 0.19244625771813 0.12895555581508 26.982 > 35 37 Al 0.32619861562400 0.19019990247036 0.11885871951504 26.982 > 37 38 Al 0.82619861562400 0.19019990247036 0.11885871951504 26.982 > 37 39 Al 0.38859372152841 0.80755374228187 0.87104444418492 26.982 > 39 40 Al 0.88859372152841 0.80755374228187 0.87104444418492 26.982 > 39 41 Al 0.11140627847159 0.30755374228187 0.62895555581508 26.982 > 41 42 Al 0.61140627847159 0.30755374228187 0.62895555581508 26.982 > 41 43 Al 0.17380138437600 0.69019990247036 0.38114128048496 26.982 > 43 44 Al 0.67380138437600 0.69019990247036 0.38114128048496 26.982 > 43 45 Al 0.32619861562400 0.30980009752964 0.61885871951504 26.982 > 45 46 Al 0.82619861562400 0.30980009752964 0.61885871951504 26.982 > 45 47 Al 0.38859372152841 0.69244625771813 0.37104444418492 26.982 > 47 48 Al 0.88859372152841 0.69244625771813 0.37104444418492 26.982 > 47 49 O 0.21581073483856 0.99108871473815 0.60238884301976 15.999 > 49 50 O 0.71581073483856 0.99108871473815 0.60238884301976 15.999 > 49 51 O 0.46184720545635 0.00431925801580 0.60612299959007 15.999 > 51 52 O 0.96184720545635 0.00431925801580 0.60612299959007 15.999 > 51 53 O 0.17970971070701 0.72818435644379 0.53387175011934 15.999 > 53 54 O 0.67970971070701 0.72818435644379 0.53387175011934 15.999 > 53 55 O 0.10877810217677 0.78018536480540 0.25251311545660 15.999 > 55 56 O 0.60877810217677 0.78018536480540 0.25251311545660 15.999 > 55 57 O 0.21703504381631 0.25642585533192 0.61670659307071 15.999 > 57 58 O 0.71703504381631 0.25642585533192 0.61670659307071 15.999 > 57 59 O 0.03815279454365 0.99568074198420 0.39387700040993 15.999 > 59 60 O 0.53815279454365 0.99568074198420 0.39387700040993 15.999 > 59 61 O 0.39122189782323 0.28018536480540 0.24748688454340 15.999 > 61 62 O 0.89122189782323 0.28018536480540 0.24748688454340 15.999 > 61 63 O 0.32029028929299 0.22818435644379 0.96612824988066 15.999 > 63 64 O 0.82029028929299 0.22818435644379 0.96612824988066 15.999 > 63 65 O 0.35142022382673 0.46179576543631 0.67617323782363 15.999 > 65 66 O 0.85142022382673 0.46179576543631 0.67617323782363 15.999 > 65 67 O 0.46064694425282 0.73394250982665 0.52048937504344 15.999 > 67 68 O 0.96064694425282 0.73394250982665 0.52048937504344 15.999 > 67 69 O 0.28296495618369 0.74357414466808 0.38329340692929 15.999 > 69 70 O 0.78296495618369 0.74357414466808 0.38329340692929 15.999 > 69 71 O 0.39014916214011 0.96337547386779 0.83105567930467 15.999 > 71 72 O 0.89014916214011 0.96337547386779 0.83105567930467 15.999 > 71 73 O 0.28296495618369 0.75642585533192 0.88329340692929 15.999 > 73 74 O 0.78296495618369 0.75642585533192 0.88329340692929 15.999 > 73 75 O 0.21581073483856 0.50891128526185 0.10238884301976 15.999 > 75 76 O 0.71581073483856 0.50891128526185 0.10238884301976 15.999 > 75 77 O 0.10985083785989 0.46337547386779 0.66894432069533 15.999 > 77 78 O 0.60985083785989 0.46337547386779 0.66894432069533 15.999 > 77 79 O 0.32029028929299 0.27181564355621 0.46612824988066 15.999 > 79 80 O 0.82029028929299 0.27181564355621 0.46612824988066 15.999 > 79 81 O 0.21703504381631 0.24357414466808 0.11670659307071 15.999 > 81 82 O 0.71703504381631 0.24357414466808 0.11670659307071 15.999 > 81 83 O 0.11632716802138 0.27816424349908 0.26440687608781 15.999 > 83 84 O 0.61632716802138 0.27816424349908 0.26440687608781 15.999 > 83 85 O 0.38367283197862 0.77816424349908 0.23559312391219 15.999 > 85 86 O 0.88367283197862 0.77816424349908 0.23559312391219 15.999 > 85 87 O 0.03935305574718 0.23394250982665 0.97951062495656 15.999 > 87 88 O 0.53935305574718 0.23394250982665 0.97951062495656 15.999 > 87 89 O 0.39122189782323 0.21981463519460 0.74748688454340 15.999 > 89 90 O 0.89122189782323 0.21981463519460 0.74748688454340 15.999 > 89 91 O 0.17970971070701 0.77181564355621 0.03387175011934 15.999 > 91 92 O 0.67970971070701 0.77181564355621 0.03387175011934 15.999 > 91 93 O 0.03815279454365 0.50431925801580 0.89387700040993 15.999 > 93 94 O 0.53815279454365 0.50431925801580 0.89387700040993 15.999 > 93 95 O 0.28418926516144 0.00891128526185 0.39761115698024 15.999 > 95 96 O 0.78418926516144 0.00891128526185 0.39761115698024 15.999 > 95 97 O 0.14857977617327 0.96179576543631 0.82382676217637 15.999 > 97 98 O 0.64857977617327 0.96179576543631 0.82382676217637 15.999 > 97 99 O 0.03935305574718 0.26605749017335 0.47951062495656 15.999 > 99 100 O 0.53935305574718 0.26605749017335 0.47951062495656 15.999 > 99 101 O 0.28418926516144 0.49108871473815 0.89761115698024 15.999 > 101 102 O 0.78418926516144 0.49108871473815 0.89761115698024 15.999 > 101 103 O 0.14857977617327 0.53820423456369 0.32382676217637 15.999 > 103 104 O 0.64857977617327 0.53820423456369 0.32382676217637 15.999 > 103 105 O 0.10877810217677 0.71981463519460 0.75251311545660 15.999 > 105 106 O 0.60877810217677 0.71981463519460 0.75251311545660 15.999 > 105 107 O 0.10985083785989 0.03662452613221 0.16894432069533 15.999 > 107 108 O 0.60985083785989 0.03662452613221 0.16894432069533 15.999 > 107 109 O 0.46184720545635 0.49568074198420 0.10612299959007 15.999 > 109 110 O 0.96184720545635 0.49568074198420 0.10612299959007 15.999 > 109 111 O 0.46064694425282 0.76605749017335 0.02048937504344 15.999 > 111 112 O 0.96064694425282 0.76605749017335 0.02048937504344 15.999 > 111 113 O 0.39014916214011 0.53662452613221 0.33105567930467 15.999 > 113 114 O 0.89014916214011 0.53662452613221 0.33105567930467 15.999 > 113 115 O 0.11632716802138 0.22183575650092 0.76440687608781 15.999 > 115 116 O 0.61632716802138 0.22183575650092 0.76440687608781 15.999 > 115 117 O 0.35142022382673 0.03820423456369 0.17617323782363 15.999 > 117 118 O 0.85142022382673 0.03820423456369 0.17617323782363 15.999 > 117 119 O 0.38367283197862 0.72183575650092 0.73559312391219 15.999 > 119 120 O 0.88367283197862 0.72183575650092 0.73559312391219 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9155984 0.0000000 0.0282578 0.0000000 3.8512607 0.0000000 0.0282567 0.0000000 3.7721828 -------------------------- Born effective charges -------------------------- 1 Nd 4.0124370 0.1020314 0.0956628 0.0872505 3.8289466 0.2072265 0.0532309 0.3067342 3.7417495 2 Nd 3.9596069 -0.0088121 0.0939893 -0.0111748 3.9781805 -0.5771695 0.1110831 -0.5763173 3.6876509 3 Nd 3.9596069 0.0088121 0.0939893 0.0111748 3.9781805 0.5771695 0.1110831 0.5763173 3.6876509 4 Nd 4.2811406 -0.0886745 -0.0086016 -0.0763867 3.8958215 0.3139026 0.0451293 0.4629275 3.3379977 5 Nd 4.4824487 -0.0403802 0.0046643 -0.0403678 3.9296719 0.6848499 -0.0114639 0.7312501 3.4982152 6 Nd 3.9596069 0.0088121 0.0939893 0.0111748 3.9781805 0.5771695 0.1110831 0.5763173 3.6876509 7 Nd 4.0124370 -0.1020314 0.0956628 -0.0872505 3.8289466 -0.2072265 0.0532309 -0.3067342 3.7417495 8 Nd 4.4824487 -0.0403802 0.0046643 -0.0403678 3.9296719 0.6848499 -0.0114639 0.7312501 3.4982152 9 Nd 3.9596069 -0.0088121 0.0939893 -0.0111748 3.9781805 -0.5771695 0.1110831 -0.5763173 3.6876509 10 Nd 4.2811406 0.0886745 -0.0086016 0.0763867 3.8958215 -0.3139026 0.0451293 -0.4629275 3.3379977 11 Nd 4.4824487 0.0403802 0.0046643 0.0403678 3.9296719 -0.6848499 -0.0114639 -0.7312501 3.4982152 12 Nd 4.0124370 -0.1020314 0.0956628 -0.0872505 3.8289466 -0.2072265 0.0532309 -0.3067342 3.7417495 13 Nd 4.2811406 0.0886745 -0.0086016 0.0763867 3.8958215 -0.3139026 0.0451293 -0.4629275 3.3379977 14 Nd 4.0124370 0.1020314 0.0956628 0.0872505 3.8289466 0.2072265 0.0532309 0.3067342 3.7417495 15 Nd 4.2811406 -0.0886745 -0.0086016 -0.0763867 3.8958215 0.3139026 0.0451293 0.4629275 3.3379977 16 Nd 4.4824487 0.0403802 0.0046643 0.0403678 3.9296719 -0.6848499 -0.0114639 -0.7312501 3.4982152 17 Al 2.1229607 -0.1569095 0.0347618 -0.2742337 2.5871888 -0.2886711 -0.0312798 -0.3779476 2.9061799 18 Al 2.1313438 0.1638686 -0.0054862 0.2877508 2.6204066 -0.3368220 0.0264865 -0.3393729 2.8170376 19 Al 2.1229607 -0.1569095 0.0347618 -0.2742337 2.5871888 -0.2886711 -0.0312798 -0.3779476 2.9061799 20 Al 2.1313438 0.1638686 -0.0054862 0.2877508 2.6204066 -0.3368220 0.0264865 -0.3393729 2.8170376 21 Al 2.1313438 -0.1638686 -0.0054862 -0.2877508 2.6204066 0.3368220 0.0264865 0.3393729 2.8170376 22 Al 2.1229607 0.1569095 0.0347618 0.2742337 2.5871888 0.2886711 -0.0312798 0.3779476 2.9061799 23 Al 2.1229607 0.1569095 0.0347618 0.2742337 2.5871888 0.2886711 -0.0312798 0.3779476 2.9061799 24 Al 2.1313438 -0.1638686 -0.0054862 -0.2877508 2.6204066 0.3368220 0.0264865 0.3393729 2.8170376 25 O -2.7341143 0.0902736 0.0170679 0.0414446 -2.4037610 -0.1967450 0.0406932 -0.0743758 -2.5887241 26 O -2.6350844 -0.0683078 -0.0304727 -0.0242551 -2.2260484 -0.2561689 -0.0778681 -0.0679676 -2.6911763 27 O -2.0350737 0.2586415 0.2359407 0.2048411 -2.1638203 0.1819125 0.1654092 0.2138980 -2.5857482 28 O -2.3127190 0.3675801 -0.2629346 0.2655459 -2.4192283 -0.0351240 -0.1805802 -0.1460193 -1.9951238 29 O -2.2742837 0.0074109 -0.0271721 0.0036162 -1.8458078 -0.1434573 -0.0034034 -0.1781786 -2.0774149 30 O -2.6350844 -0.0683078 -0.0304727 -0.0242551 -2.2260484 -0.2561689 -0.0778681 -0.0679676 -2.6911763 31 O -2.3127190 -0.3675801 -0.2629346 -0.2655459 -2.4192283 0.0351240 -0.1805802 0.1460193 -1.9951238 32 O -2.0350737 -0.2586415 0.2359407 -0.2048411 -2.1638203 -0.1819125 0.1654092 -0.2138980 -2.5857482 33 O -2.2612208 -0.0159304 0.0187064 -0.1005894 -2.5146120 -0.1983292 0.0150109 -0.2201447 -1.8175954 34 O -2.0886189 -0.2687758 -0.3021054 -0.2090848 -2.2383407 -0.0186936 -0.2487255 0.0881924 -2.3824357 35 O -2.2742837 0.0074109 -0.0271721 0.0036162 -1.8458078 -0.1434573 -0.0034034 -0.1781786 -2.0774149 36 O -2.3049289 -0.0377491 -0.0753441 -0.1250587 -2.5996348 0.2737630 -0.0496134 0.2940214 -1.7550403 37 O -2.2742837 -0.0074109 -0.0271721 -0.0036162 -1.8458078 0.1434573 -0.0034034 0.1781786 -2.0774149 38 O -2.7341143 -0.0902736 0.0170679 -0.0414446 -2.4037610 0.1967450 0.0406932 0.0743758 -2.5887241 39 O -2.3049289 0.0377491 -0.0753441 0.1250587 -2.5996348 -0.2737630 -0.0496134 -0.2940214 -1.7550403 40 O -2.0350737 0.2586415 0.2359407 0.2048411 -2.1638203 0.1819125 0.1654092 0.2138980 -2.5857482 41 O -2.2742837 -0.0074109 -0.0271721 -0.0036162 -1.8458078 0.1434573 -0.0034034 0.1781786 -2.0774149 42 O -2.3438940 0.3167960 0.2113234 0.1915340 -2.4289627 0.2042371 0.1458911 0.2533403 -2.0955720 43 O -2.3438940 -0.3167960 0.2113234 -0.1915340 -2.4289627 -0.2042371 0.1458911 -0.2533403 -2.0955720 44 O -2.0886189 0.2687758 -0.3021054 0.2090848 -2.2383407 0.0186936 -0.2487255 -0.0881924 -2.3824357 45 O -2.3127190 0.3675801 -0.2629346 0.2655459 -2.4192283 -0.0351240 -0.1805802 -0.1460193 -1.9951238 46 O -2.0350737 -0.2586415 0.2359407 -0.2048411 -2.1638203 -0.1819125 0.1654092 -0.2138980 -2.5857482 47 O -2.6350844 0.0683078 -0.0304727 0.0242551 -2.2260484 0.2561689 -0.0778681 0.0679676 -2.6911763 48 O -2.7341143 0.0902736 0.0170679 0.0414446 -2.4037610 -0.1967450 0.0406932 -0.0743758 -2.5887241 49 O -2.2612208 0.0159304 0.0187064 0.1005894 -2.5146120 0.1983292 0.0150109 0.2201447 -1.8175954 50 O -2.0886189 -0.2687758 -0.3021054 -0.2090848 -2.2383407 -0.0186936 -0.2487255 0.0881924 -2.3824357 51 O -2.7341143 -0.0902736 0.0170679 -0.0414446 -2.4037610 0.1967450 0.0406932 0.0743758 -2.5887241 52 O -2.2612208 -0.0159304 0.0187064 -0.1005894 -2.5146120 -0.1983292 0.0150109 -0.2201447 -1.8175954 53 O -2.3127190 -0.3675801 -0.2629346 -0.2655459 -2.4192283 0.0351240 -0.1805802 0.1460193 -1.9951238 54 O -2.3049289 -0.0377491 -0.0753441 -0.1250587 -2.5996348 0.2737630 -0.0496134 0.2940214 -1.7550403 55 O -2.6350844 0.0683078 -0.0304727 0.0242551 -2.2260484 0.2561689 -0.0778681 0.0679676 -2.6911763 56 O -2.0886189 0.2687758 -0.3021054 0.2090848 -2.2383407 0.0186936 -0.2487255 -0.0881924 -2.3824357 57 O -2.3049289 0.0377491 -0.0753441 0.1250587 -2.5996348 -0.2737630 -0.0496134 -0.2940214 -1.7550403 58 O -2.3438940 -0.3167960 0.2113234 -0.1915340 -2.4289627 -0.2042371 0.1458911 -0.2533403 -2.0955720 59 O -2.2612208 0.0159304 0.0187064 0.1005894 -2.5146120 0.1983292 0.0150109 0.2201447 -1.8175954 60 O -2.3438940 0.3167960 0.2113234 0.1915340 -2.4289627 0.2042371 0.1458911 0.2533403 -2.0955720 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.762 ( 0.000 0.000 0.000) 0.000 1.837 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 0.000) 0.000 3.333 ( 0.000 0.000 0.000) 0.000 3.335 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.414 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.743 ( 0.000 0.000 0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.953 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.726 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.002 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 6.173 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.236 ( 0.000 0.000 0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.533 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 6.812 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.237 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.295 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.753 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.609 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.178 ( 0.000 0.000 0.000) 0.000 9.294 ( 0.000 0.000 0.000) 0.000 9.403 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.504 ( 0.000 0.000 0.000) 0.000 9.567 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 9.860 ( 0.000 0.000 0.000) 0.000 9.952 ( 0.000 0.000 0.000) 0.000 9.982 ( 0.000 0.000 0.000) 0.000 10.027 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.142 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.244 ( 0.000 0.000 0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 10.628 ( 0.000 0.000 0.000) 0.000 10.719 ( 0.000 0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 11.024 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.184 ( 0.000 0.000 0.000) 0.000 11.400 ( 0.000 0.000 0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 11.458 ( 0.000 0.000 0.000) 0.000 11.547 ( 0.000 0.000 0.000) 0.000 11.735 ( 0.000 0.000 0.000) 0.000 11.762 ( 0.000 0.000 0.000) 0.000 11.816 ( 0.000 0.000 0.000) 0.000 11.927 ( 0.000 0.000 0.000) 0.000 12.003 ( 0.000 0.000 0.000) 0.000 12.007 ( 0.000 0.000 0.000) 0.000 12.105 ( 0.000 0.000 0.000) 0.000 12.137 ( 0.000 0.000 0.000) 0.000 12.234 ( 0.000 0.000 0.000) 0.000 12.303 ( 0.000 0.000 0.000) 0.000 12.500 ( 0.000 0.000 0.000) 0.000 12.551 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.722 ( 0.000 0.000 0.000) 0.000 12.853 ( 0.000 0.000 0.000) 0.000 12.905 ( 0.000 0.000 0.000) 0.000 12.969 ( 0.000 0.000 0.000) 0.000 13.497 ( 0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 13.591 ( 0.000 0.000 0.000) 0.000 13.764 ( 0.000 0.000 0.000) 0.000 13.879 ( 0.000 0.000 0.000) 0.000 14.084 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 14.128 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 14.660 ( 0.000 0.000 0.000) 0.000 14.928 ( 0.000 0.000 0.000) 0.000 15.037 ( 0.000 0.000 0.000) 0.000 15.220 ( 0.000 0.000 0.000) 0.000 15.360 ( 0.000 0.000 0.000) 0.000 15.758 ( 0.000 0.000 0.000) 0.000 15.760 ( 0.000 0.000 0.000) 0.000 16.093 ( 0.000 0.000 0.000) 0.000 16.475 ( 0.000 0.000 0.000) 0.000 16.741 ( 0.000 0.000 0.000) 0.000 16.869 ( 0.000 0.000 0.000) 0.000 16.892 ( 0.000 0.000 0.000) 0.000 20.390 ( 0.000 0.000 0.000) 0.000 20.428 ( 0.000 0.000 0.000) 0.000 20.609 ( 0.000 0.000 0.000) 0.000 20.731 ( 0.000 0.000 0.000) 0.000 21.198 ( 0.000 0.000 0.000) 0.000 21.354 ( 0.000 0.000 0.000) 0.000 21.355 ( 0.000 0.000 0.000) 0.000 21.494 ( 0.000 0.000 0.000) 0.000 21.589 ( 0.000 0.000 0.000) 0.000 21.820 ( 0.000 0.000 0.000) 0.000 22.127 ( 0.000 0.000 0.000) 0.000 22.180 ( 0.000 0.000 0.000) 0.000 22.457 ( 0.000 0.000 0.000) 0.000 22.550 ( 0.000 0.000 0.000) 0.000 22.964 ( 0.000 0.000 0.000) 0.000 23.351 ( 0.000 0.000 0.000) 0.000 23.380 ( 0.000 0.000 0.000) 0.000 23.631 ( 0.000 0.000 0.000) 0.000 23.638 ( 0.000 0.000 0.000) 0.000 23.686 ( 0.000 0.000 0.000) 0.000 23.737 ( 0.000 0.000 0.000) 0.000 24.334 ( 0.000 0.000 0.000) 0.000 24.577 ( 0.000 0.000 0.000) 0.000 25.461 ( 0.000 0.000 0.000) 0.000 25.807 ( 0.000 0.000 0.000) 0.000 25.832 ( 0.000 0.000 0.000) 0.000 25.833 ( 0.000 0.000 0.000) 0.000 25.839 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 31.406 0.000 1.528) 31.443 0.658 ( 30.704 0.000 12.606) 33.191 1.139 ( 48.648 0.000 17.001) 51.533 1.653 ( -8.435 0.000 -15.878) 17.979 1.823 ( 7.743 0.000 3.556) 8.521 1.958 ( -1.199 0.000 6.313) 6.426 2.241 ( 5.004 0.000 3.178) 5.928 2.268 ( 0.101 0.000 -7.425) 7.426 2.385 ( 10.561 0.000 -3.976) 11.285 2.387 ( 6.036 0.000 -3.394) 6.925 2.563 ( 3.334 0.000 1.285) 3.573 2.596 ( 2.777 0.000 -1.159) 3.010 2.676 ( -1.400 0.000 4.049) 4.284 2.710 ( 6.670 0.000 1.316) 6.799 2.721 ( 2.410 0.000 -3.800) 4.500 2.801 ( 3.429 0.000 -0.682) 3.496 2.819 ( -1.132 0.000 2.550) 2.790 2.919 ( -0.797 0.000 -2.860) 2.969 3.022 ( 2.219 0.000 -3.460) 4.110 3.070 ( -3.085 0.000 -3.402) 4.592 3.104 ( -0.306 0.000 -4.973) 4.983 3.182 ( 2.711 0.000 0.693) 2.798 3.332 ( -1.514 0.000 -0.350) 1.554 3.375 ( -1.380 0.000 4.198) 4.419 3.382 ( 0.428 0.000 2.286) 2.326 3.417 ( -1.539 0.000 4.315) 4.581 3.427 ( 3.762 0.000 -0.930) 3.876 3.481 ( -3.142 0.000 2.778) 4.194 3.653 ( 1.889 0.000 -5.046) 5.388 3.664 ( 4.113 0.000 1.458) 4.363 3.700 ( -2.409 0.000 5.404) 5.917 3.772 ( -6.543 0.000 -2.610) 7.045 3.773 ( 1.772 0.000 -1.512) 2.329 3.963 ( 1.954 0.000 0.852) 2.132 3.998 ( 4.591 0.000 3.587) 5.826 4.032 ( 6.186 0.000 1.487) 6.363 4.261 ( -3.087 0.000 -4.982) 5.861 4.292 ( -1.639 0.000 -4.131) 4.444 4.441 ( 0.951 0.000 -2.621) 2.789 4.485 ( 5.121 0.000 -2.445) 5.675 4.525 ( -1.126 0.000 7.887) 7.967 4.712 ( -7.840 0.000 -2.670) 8.282 4.762 ( 1.145 0.000 -4.033) 4.192 4.812 ( -3.563 0.000 0.979) 3.695 4.943 ( 0.691 0.000 -0.617) 0.926 5.048 ( 3.926 0.000 -1.055) 4.065 5.094 ( 2.129 0.000 -1.050) 2.374 5.142 ( -0.255 0.000 -0.534) 0.592 5.202 ( -0.508 0.000 2.918) 2.962 5.245 ( 1.141 0.000 -0.366) 1.198 5.426 ( 0.184 0.000 -9.603) 9.605 5.438 ( 0.758 0.000 -6.322) 6.367 5.592 ( 1.014 0.000 4.670) 4.779 5.700 ( -6.475 0.000 -3.987) 7.604 5.790 ( -11.530 0.000 7.066) 13.523 5.914 ( 4.235 0.000 8.582) 9.570 6.103 ( -8.382 0.000 1.006) 8.442 6.119 ( -2.447 0.000 -7.183) 7.588 6.235 ( -7.763 0.000 4.674) 9.061 6.241 ( -8.183 0.000 0.105) 8.184 6.328 ( -10.367 0.000 1.588) 10.488 6.384 ( -6.116 0.000 -4.918) 7.848 6.530 ( -8.383 0.000 8.922) 12.242 6.632 ( -1.673 0.000 -2.311) 2.853 6.775 ( -2.708 0.000 0.346) 2.730 6.933 ( 8.391 0.000 1.150) 8.469 7.095 ( -15.360 0.000 2.185) 15.515 7.131 ( 1.556 0.000 -3.912) 4.210 7.191 ( 2.472 0.000 -2.499) 3.515 7.218 ( -6.241 0.000 -0.629) 6.273 7.373 ( 7.920 0.000 2.416) 8.280 7.393 ( 9.058 0.000 -7.243) 11.598 7.601 ( 6.822 0.000 -0.316) 6.829 7.663 ( 2.093 0.000 -1.189) 2.407 7.850 ( 11.570 0.000 -7.012) 13.529 7.934 ( 0.712 0.000 17.480) 17.495 7.952 ( 3.198 0.000 2.860) 4.291 8.158 ( 2.513 0.000 0.583) 2.579 8.175 ( 3.369 0.000 2.576) 4.241 8.370 ( 0.785 0.000 3.485) 3.573 8.396 ( -7.471 0.000 -9.548) 12.123 8.447 ( -6.808 0.000 -0.422) 6.821 8.616 ( -0.572 0.000 2.186) 2.260 8.662 ( -1.185 0.000 4.141) 4.307 8.955 ( -4.592 0.000 3.593) 5.831 9.039 ( 1.828 0.000 -0.904) 2.040 9.196 ( 0.680 0.000 -3.319) 3.388 9.209 ( 5.081 0.000 -0.487) 5.104 9.265 ( 3.768 0.000 -2.981) 4.804 9.372 ( -4.551 0.000 5.114) 6.846 9.533 ( -0.972 0.000 -4.346) 4.454 9.548 ( 2.706 0.000 0.606) 2.773 9.636 ( 1.987 0.000 2.275) 3.020 9.638 ( 10.025 0.000 8.936) 13.430 9.745 ( -11.119 0.000 -5.378) 12.352 9.753 ( -4.442 0.000 -9.198) 10.214 9.938 ( -1.551 0.000 -4.449) 4.712 9.948 ( -3.303 0.000 1.024) 3.458 9.962 ( 1.093 0.000 -0.642) 1.268 10.165 ( 4.041 0.000 5.472) 6.803 10.211 ( 1.305 0.000 2.870) 3.153 10.312 ( 3.743 0.000 3.419) 5.069 10.409 ( -0.006 0.000 4.031) 4.031 10.599 ( -0.279 0.000 -5.416) 5.423 10.656 ( 4.800 0.000 -4.415) 6.522 10.741 ( -9.327 0.000 -6.807) 11.547 11.032 ( -1.645 0.000 -0.212) 1.658 11.108 ( 3.783 0.000 -4.518) 5.892 11.200 ( -0.504 0.000 4.341) 4.370 11.288 ( -4.751 0.000 2.136) 5.209 11.318 ( -8.809 0.000 4.088) 9.711 11.492 ( -4.440 0.000 4.467) 6.298 11.573 ( 1.397 0.000 -1.004) 1.720 11.673 ( -5.813 0.000 0.412) 5.828 11.716 ( -4.540 0.000 4.479) 6.378 11.789 ( -0.768 0.000 -1.028) 1.283 11.961 ( 9.034 0.000 -5.419) 10.535 11.991 ( 0.030 0.000 -0.978) 0.978 12.055 ( 0.762 0.000 -1.444) 1.632 12.136 ( 8.708 0.000 6.642) 10.952 12.186 ( 9.151 0.000 1.163) 9.225 12.329 ( 3.309 0.000 0.159) 3.313 12.414 ( 10.240 0.000 2.499) 10.541 12.457 ( -1.803 0.000 -6.124) 6.383 12.602 ( 9.226 0.000 -3.225) 9.774 12.690 ( 2.640 0.000 -3.637) 4.494 12.767 ( 3.721 0.000 1.492) 4.009 12.809 ( 4.298 0.000 -8.940) 9.920 12.906 ( -2.332 0.000 -9.366) 9.652 12.974 ( 6.106 0.000 -7.128) 9.386 13.494 ( 1.320 0.000 -3.153) 3.418 13.571 ( -0.474 0.000 14.204) 14.212 13.611 ( -0.072 0.000 6.510) 6.511 13.833 ( 6.590 0.000 6.138) 9.005 13.837 ( -4.074 0.000 0.800) 4.152 14.068 ( 1.858 0.000 -4.559) 4.923 14.102 ( 0.093 0.000 -5.614) 5.615 14.220 ( 6.204 0.000 2.950) 6.870 14.232 ( 0.050 0.000 6.952) 6.952 14.597 ( 1.265 0.000 -13.724) 13.782 14.905 ( -2.185 0.000 -2.621) 3.412 14.918 ( 13.056 0.000 -48.361) 50.092 14.984 ( -5.605 0.000 3.191) 6.450 15.210 ( -1.359 0.000 0.031) 1.359 15.422 ( -13.720 0.000 29.075) 32.150 15.751 ( -0.735 0.000 -0.874) 1.142 15.772 ( 0.659 0.000 1.604) 1.734 16.090 ( -0.721 0.000 1.061) 1.283 16.445 ( -5.426 0.000 1.769) 5.707 16.716 ( -2.441 0.000 -0.087) 2.443 16.809 ( -5.445 0.000 -1.051) 5.545 16.850 ( -4.515 0.000 -0.071) 4.516 20.387 ( -0.086 0.000 -0.635) 0.641 20.443 ( 1.025 0.000 1.210) 1.586 20.745 ( 1.871 0.000 -2.277) 2.947 21.088 ( 4.638 0.000 -20.455) 20.974 21.201 ( 3.708 0.000 -16.856) 17.259 21.324 ( -1.955 0.000 -0.101) 1.958 21.466 ( 11.413 0.000 -6.482) 13.125 21.543 ( 4.893 0.000 -0.898) 4.974 21.626 ( 3.602 0.000 -0.481) 3.634 21.843 ( 2.202 0.000 -0.260) 2.218 22.172 ( -1.996 0.000 1.890) 2.748 22.193 ( -0.842 0.000 -4.588) 4.664 22.471 ( 1.920 0.000 0.560) 2.000 22.573 ( 1.942 0.000 1.985) 2.777 23.338 ( -18.006 0.000 39.968) 43.837 23.375 ( 0.949 0.000 2.858) 3.012 23.410 ( 1.671 0.000 1.586) 2.304 23.602 ( -6.791 0.000 10.986) 12.916 23.639 ( -0.402 0.000 1.373) 1.431 23.680 ( -3.781 0.000 -1.768) 4.174 23.739 ( 3.953 0.000 -1.060) 4.092 24.345 ( -13.206 0.000 22.607) 26.182 24.511 ( -6.227 0.000 -0.759) 6.273 25.358 ( -9.899 0.000 -1.840) 10.068 25.832 ( 2.425 0.000 0.215) 2.434 25.845 ( 2.794 0.000 -0.649) 2.869 25.894 ( 3.113 0.000 1.511) 3.460 26.208 ( 3.387 0.000 -8.785) 9.415 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 30.584 0.000 0.127) 30.584 1.276 ( 21.582 0.000 11.557) 24.482 1.420 ( 1.324 0.000 -15.596) 15.652 1.658 ( 2.574 0.000 8.285) 8.676 1.951 ( -3.103 0.000 5.877) 6.646 2.198 ( 10.259 0.000 -6.075) 11.923 2.385 ( 6.737 0.000 -1.403) 6.881 2.415 ( 20.862 0.000 3.521) 21.157 2.470 ( 0.771 0.000 -8.073) 8.110 2.498 ( 16.142 0.000 -4.465) 16.748 2.566 ( -0.541 0.000 -1.271) 1.382 2.640 ( 0.944 0.000 5.450) 5.531 2.640 ( -3.328 0.000 1.467) 3.637 2.767 ( -1.109 0.000 -4.115) 4.262 2.804 ( 6.047 0.000 0.313) 6.055 2.817 ( 2.865 0.000 -1.054) 3.053 2.906 ( 6.224 0.000 2.451) 6.689 2.946 ( 1.149 0.000 0.167) 1.161 2.967 ( -0.814 0.000 0.464) 0.937 2.969 ( -6.352 0.000 -3.654) 7.328 3.150 ( 6.428 0.000 -0.537) 6.450 3.210 ( 0.261 0.000 -0.187) 0.321 3.256 ( -0.742 0.000 -1.143) 1.363 3.353 ( -4.841 0.000 -1.019) 4.947 3.397 ( -1.060 0.000 3.102) 3.278 3.415 ( 1.716 0.000 0.138) 1.722 3.480 ( 0.514 0.000 4.950) 4.977 3.527 ( 4.912 0.000 1.520) 5.142 3.576 ( -7.072 0.000 0.697) 7.107 3.678 ( -0.872 0.000 0.772) 1.165 3.726 ( -1.195 0.000 3.797) 3.980 3.736 ( 6.278 0.000 -9.619) 11.486 3.902 ( 9.333 0.000 -3.567) 9.992 4.029 ( 2.794 0.000 2.289) 3.612 4.090 ( 4.483 0.000 3.383) 5.616 4.124 ( -0.610 0.000 -5.421) 5.455 4.220 ( -1.993 0.000 1.895) 2.750 4.238 ( 5.418 0.000 -0.572) 5.448 4.425 ( 0.611 0.000 -3.281) 3.337 4.529 ( -3.927 0.000 4.876) 6.261 4.543 ( -5.001 0.000 3.265) 5.973 4.559 ( 1.719 0.000 2.753) 3.245 4.703 ( -3.481 0.000 -2.245) 4.143 4.857 ( -12.672 0.000 2.889) 12.997 4.875 ( 8.693 0.000 -4.465) 9.772 5.044 ( -3.356 0.000 3.021) 4.515 5.057 ( -1.954 0.000 -2.015) 2.806 5.125 ( -2.849 0.000 0.034) 2.849 5.274 ( 1.445 0.000 3.411) 3.705 5.335 ( 10.223 0.000 -1.621) 10.351 5.400 ( 2.878 0.000 -8.693) 9.157 5.476 ( 5.691 0.000 -3.649) 6.761 5.504 ( -11.370 0.000 -3.136) 11.795 5.619 ( -5.092 0.000 -4.732) 6.951 5.641 ( 0.569 0.000 5.227) 5.258 5.887 ( -14.563 0.000 1.121) 14.607 5.931 ( -12.356 0.000 0.908) 12.389 6.000 ( -7.490 0.000 -0.715) 7.524 6.069 ( -8.339 0.000 0.803) 8.377 6.097 ( 1.722 0.000 3.947) 4.306 6.211 ( -9.997 0.000 -1.778) 10.154 6.221 ( -4.526 0.000 -1.698) 4.834 6.473 ( -3.529 0.000 5.468) 6.508 6.556 ( -5.466 0.000 -0.327) 5.476 6.693 ( -17.611 0.000 -0.640) 17.622 6.738 ( -1.020 0.000 0.565) 1.166 7.151 ( 3.041 0.000 -1.125) 3.243 7.170 ( 2.296 0.000 -1.002) 2.505 7.222 ( 12.339 0.000 3.360) 12.789 7.247 ( 4.379 0.000 -3.052) 5.338 7.506 ( 3.710 0.000 0.962) 3.833 7.530 ( 10.452 0.000 -6.600) 12.361 7.708 ( 2.418 0.000 0.454) 2.460 7.742 ( 6.206 0.000 2.374) 6.645 8.003 ( 6.917 0.000 -5.201) 8.654 8.018 ( 3.868 0.000 5.282) 6.547 8.099 ( 3.300 0.000 9.480) 10.038 8.109 ( -7.950 0.000 -5.999) 9.959 8.193 ( -2.879 0.000 -6.109) 6.754 8.243 ( 1.963 0.000 2.760) 3.387 8.331 ( -3.984 0.000 -3.432) 5.258 8.402 ( -0.215 0.000 2.693) 2.701 8.611 ( -2.934 0.000 5.723) 6.432 8.623 ( -3.536 0.000 -0.831) 3.633 8.839 ( -7.709 0.000 -2.709) 8.171 9.122 ( 4.065 0.000 5.446) 6.796 9.192 ( 0.854 0.000 -0.660) 1.079 9.298 ( -1.249 0.000 4.433) 4.606 9.332 ( 2.149 0.000 0.651) 2.245 9.394 ( 6.744 0.000 0.448) 6.759 9.438 ( -8.214 0.000 -4.729) 9.478 9.490 ( 0.631 0.000 -5.797) 5.831 9.560 ( -6.561 0.000 -2.611) 7.062 9.598 ( -0.101 0.000 2.914) 2.916 9.729 ( 2.639 0.000 -5.327) 5.945 9.885 ( -0.843 0.000 -1.201) 1.468 9.936 ( 10.309 0.000 4.633) 11.302 9.962 ( 4.463 0.000 4.279) 6.183 10.004 ( 4.296 0.000 -3.424) 5.494 10.174 ( -4.976 0.000 -2.668) 5.646 10.207 ( -1.567 0.000 2.255) 2.746 10.410 ( 3.901 0.000 4.632) 6.056 10.444 ( 1.075 0.000 3.142) 3.321 10.480 ( -8.774 0.000 -8.380) 12.133 10.660 ( 4.674 0.000 -0.953) 4.770 10.751 ( 8.100 0.000 -4.974) 9.505 10.989 ( -2.582 0.000 0.669) 2.667 11.103 ( -1.113 0.000 -8.143) 8.219 11.170 ( -9.312 0.000 4.773) 10.464 11.197 ( -3.354 0.000 5.139) 6.137 11.238 ( -1.724 0.000 2.976) 3.440 11.401 ( -4.862 0.000 2.947) 5.686 11.502 ( -9.277 0.000 -1.091) 9.341 11.620 ( -1.236 0.000 7.628) 7.728 11.666 ( -2.841 0.000 2.475) 3.767 11.734 ( -2.749 0.000 -2.922) 4.012 12.002 ( 0.615 0.000 -0.480) 0.780 12.042 ( 1.567 0.000 -6.142) 6.339 12.144 ( 5.242 0.000 1.811) 5.546 12.326 ( 9.959 0.000 4.296) 10.846 12.359 ( 0.499 0.000 -5.560) 5.583 12.437 ( 14.344 0.000 1.718) 14.447 12.471 ( 6.261 0.000 2.239) 6.649 12.573 ( 8.050 0.000 1.924) 8.276 12.685 ( -1.531 0.000 -3.722) 4.024 12.791 ( -1.156 0.000 -9.341) 9.413 12.806 ( 9.551 0.000 -3.412) 10.143 12.851 ( 3.896 0.000 0.873) 3.993 12.856 ( 3.804 0.000 -5.205) 6.447 13.001 ( 2.252 0.000 -5.915) 6.329 13.553 ( 5.560 0.000 4.947) 7.443 13.667 ( 1.945 0.000 3.504) 4.008 13.708 ( 3.484 0.000 16.531) 16.894 13.770 ( -2.642 0.000 0.343) 2.664 13.985 ( 2.178 0.000 4.183) 4.716 14.064 ( 0.027 0.000 -5.109) 5.109 14.070 ( 2.387 0.000 -6.647) 7.063 14.269 ( 0.464 0.000 3.259) 3.292 14.355 ( 6.305 0.000 1.343) 6.447 14.547 ( 1.794 0.000 -7.605) 7.814 14.786 ( -7.634 0.000 -1.444) 7.770 14.838 ( 2.770 0.000 -17.479) 17.697 14.934 ( -2.209 0.000 2.971) 3.702 15.156 ( -4.216 0.000 -1.632) 4.521 15.340 ( -8.320 0.000 9.601) 12.705 15.719 ( -1.836 0.000 -1.555) 2.406 15.794 ( 0.583 0.000 1.099) 1.244 16.079 ( -1.225 0.000 1.246) 1.748 16.347 ( -5.820 0.000 2.497) 6.333 16.660 ( -3.100 0.000 -0.273) 3.112 16.683 ( -6.663 0.000 -0.691) 6.698 16.740 ( -6.176 0.000 -0.981) 6.253 20.383 ( 0.226 0.000 -0.602) 0.643 20.473 ( 1.076 0.000 1.374) 1.745 20.753 ( 0.742 0.000 -3.478) 3.557 21.033 ( -1.254 0.000 -4.827) 4.987 21.188 ( 3.992 0.000 -9.707) 10.495 21.315 ( 1.037 0.000 0.557) 1.177 21.641 ( 6.002 0.000 -1.690) 6.235 21.643 ( 10.649 0.000 -6.715) 12.589 21.700 ( 4.539 0.000 1.769) 4.871 21.885 ( 2.064 0.000 0.494) 2.123 22.114 ( -5.272 0.000 1.335) 5.439 22.127 ( -4.157 0.000 -1.262) 4.344 22.556 ( 6.769 0.000 1.252) 6.884 22.655 ( 5.325 0.000 3.169) 6.197 23.219 ( -12.479 0.000 10.392) 16.239 23.327 ( -11.006 0.000 1.057) 11.057 23.427 ( 1.857 0.000 1.624) 2.467 23.562 ( -3.529 0.000 6.263) 7.189 23.639 ( -0.599 0.000 1.291) 1.423 23.706 ( 7.285 0.000 1.527) 7.443 23.811 ( 6.385 0.000 -6.051) 8.797 24.220 ( -13.376 0.000 16.394) 21.159 24.375 ( -6.675 0.000 -0.722) 6.714 25.103 ( -14.710 0.000 -3.203) 15.055 25.887 ( 2.925 0.000 0.269) 2.937 25.908 ( 4.091 0.000 -1.321) 4.299 25.955 ( 1.900 0.000 2.093) 2.827 26.215 ( 1.538 0.000 -3.305) 3.645 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -1.588 0.000 -6.042) 6.247 1.629 ( 10.436 0.000 -9.611) 14.187 1.748 ( 11.560 0.000 13.749) 17.963 1.880 ( 21.776 0.000 8.448) 23.357 1.944 ( 2.638 0.000 1.733) 3.157 2.202 ( -10.858 0.000 2.102) 11.059 2.305 ( -9.604 0.000 -5.326) 10.982 2.376 ( -8.637 0.000 -4.110) 9.565 2.393 ( 0.050 0.000 -7.904) 7.904 2.562 ( 5.055 0.000 -5.301) 7.325 2.619 ( -2.498 0.000 2.927) 3.848 2.647 ( 1.531 0.000 2.730) 3.130 2.698 ( -1.286 0.000 -2.574) 2.878 2.783 ( 2.037 0.000 -2.204) 3.001 2.837 ( -1.788 0.000 -3.560) 3.984 2.924 ( 0.514 0.000 2.630) 2.680 2.941 ( 4.883 0.000 0.089) 4.884 2.951 ( 3.183 0.000 -3.554) 4.771 3.037 ( 6.051 0.000 -0.588) 6.079 3.080 ( 0.202 0.000 0.849) 0.873 3.182 ( -6.275 0.000 0.086) 6.275 3.230 ( -0.893 0.000 3.163) 3.287 3.299 ( 2.191 0.000 1.358) 2.578 3.386 ( -1.042 0.000 1.461) 1.795 3.410 ( 6.723 0.000 0.722) 6.761 3.442 ( 5.138 0.000 6.988) 8.673 3.512 ( 2.787 0.000 0.649) 2.861 3.591 ( -0.338 0.000 4.074) 4.088 3.644 ( 15.604 0.000 -0.398) 15.609 3.669 ( -2.877 0.000 -1.865) 3.428 3.711 ( 3.491 0.000 -0.650) 3.550 3.732 ( 2.667 0.000 -3.881) 4.709 3.884 ( -5.816 0.000 -0.134) 5.817 4.132 ( 2.896 0.000 1.458) 3.243 4.158 ( 5.424 0.000 -4.473) 7.030 4.224 ( 8.294 0.000 -3.086) 8.850 4.253 ( 0.187 0.000 4.712) 4.716 4.296 ( -0.056 0.000 1.570) 1.571 4.369 ( -15.228 0.000 -3.394) 15.602 4.397 ( -0.214 0.000 -0.491) 0.535 4.503 ( -5.969 0.000 3.763) 7.056 4.558 ( -4.852 0.000 3.664) 6.080 4.665 ( -5.753 0.000 0.388) 5.766 4.682 ( 4.551 0.000 0.797) 4.620 4.973 ( -2.989 0.000 -2.380) 3.821 5.016 ( 7.676 0.000 -2.936) 8.218 5.079 ( 2.647 0.000 1.211) 2.911 5.087 ( 0.022 0.000 -3.464) 3.465 5.291 ( -5.613 0.000 2.686) 6.223 5.297 ( 2.000 0.000 6.931) 7.214 5.406 ( 0.935 0.000 -4.627) 4.721 5.484 ( 2.462 0.000 -4.623) 5.238 5.491 ( -5.060 0.000 -5.111) 7.192 5.591 ( 4.937 0.000 -1.081) 5.054 5.613 ( -8.222 0.000 -0.111) 8.223 5.641 ( -7.438 0.000 0.093) 7.439 5.804 ( 2.841 0.000 3.077) 4.188 5.856 ( -6.782 0.000 3.232) 7.513 5.999 ( -0.874 0.000 0.955) 1.295 6.045 ( -5.547 0.000 -2.108) 5.934 6.101 ( -5.384 0.000 -3.002) 6.164 6.182 ( 2.516 0.000 0.837) 2.652 6.412 ( -7.052 0.000 0.619) 7.079 6.435 ( -2.380 0.000 1.726) 2.940 6.505 ( -3.233 0.000 0.043) 3.234 6.746 ( 0.721 0.000 0.453) 0.851 7.205 ( 2.345 0.000 -0.872) 2.502 7.289 ( 9.325 0.000 1.159) 9.397 7.297 ( 2.079 0.000 -0.543) 2.149 7.454 ( 7.619 0.000 4.654) 8.928 7.526 ( -0.448 0.000 -0.173) 0.480 7.589 ( -7.667 0.000 -3.059) 8.255 7.705 ( 6.491 0.000 -4.218) 7.741 7.891 ( 5.579 0.000 3.291) 6.477 7.915 ( -7.417 0.000 -4.698) 8.780 8.006 ( 0.071 0.000 -1.563) 1.565 8.107 ( 1.713 0.000 0.846) 1.910 8.145 ( -4.715 0.000 1.955) 5.104 8.175 ( 0.691 0.000 4.966) 5.014 8.269 ( -0.542 0.000 -0.063) 0.546 8.352 ( 10.082 0.000 -7.308) 12.452 8.401 ( -0.373 0.000 1.176) 1.234 8.556 ( -8.230 0.000 7.446) 11.099 8.568 ( -1.084 0.000 -1.225) 1.636 8.693 ( -3.618 0.000 -3.683) 5.162 9.203 ( 1.854 0.000 1.547) 2.415 9.205 ( 0.732 0.000 1.222) 1.424 9.248 ( -3.841 0.000 2.689) 4.688 9.321 ( -1.662 0.000 -1.813) 2.459 9.396 ( 2.167 0.000 -0.593) 2.246 9.454 ( -2.704 0.000 -1.472) 3.079 9.488 ( 1.182 0.000 -2.277) 2.565 9.530 ( 4.282 0.000 1.351) 4.490 9.656 ( 3.372 0.000 4.734) 5.812 9.679 ( -2.859 0.000 -5.364) 6.079 9.908 ( 1.480 0.000 1.678) 2.237 9.984 ( -1.081 0.000 -0.646) 1.260 10.041 ( 1.413 0.000 -2.735) 3.078 10.077 ( 0.384 0.000 0.087) 0.394 10.168 ( 2.487 0.000 -1.104) 2.721 10.184 ( -0.948 0.000 0.233) 0.977 10.311 ( -1.312 0.000 -0.037) 1.313 10.489 ( 1.645 0.000 1.816) 2.450 10.512 ( 2.840 0.000 2.732) 3.941 10.726 ( 1.852 0.000 -1.375) 2.307 10.854 ( 4.567 0.000 -2.332) 5.127 10.914 ( -4.611 0.000 -2.887) 5.440 11.007 ( -3.600 0.000 1.758) 4.006 11.099 ( -0.093 0.000 -1.040) 1.045 11.167 ( 0.517 0.000 0.037) 0.518 11.246 ( -4.218 0.000 0.901) 4.313 11.331 ( -3.969 0.000 2.122) 4.501 11.362 ( -1.599 0.000 1.813) 2.417 11.637 ( -2.390 0.000 5.168) 5.694 11.639 ( -1.181 0.000 -0.115) 1.187 11.681 ( -0.931 0.000 -1.032) 1.390 11.993 ( 1.333 0.000 -3.183) 3.450 12.061 ( 1.140 0.000 -0.136) 1.148 12.190 ( 0.234 0.000 1.432) 1.451 12.340 ( -0.234 0.000 -2.588) 2.599 12.486 ( 3.895 0.000 2.444) 4.598 12.593 ( 5.416 0.000 -1.681) 5.671 12.654 ( 0.609 0.000 1.980) 2.071 12.686 ( 10.121 0.000 0.071) 10.121 12.708 ( -3.391 0.000 -4.783) 5.864 12.720 ( 4.816 0.000 0.871) 4.894 12.832 ( -3.054 0.000 -0.989) 3.211 12.876 ( 1.010 0.000 -2.572) 2.763 12.926 ( 3.305 0.000 -1.278) 3.544 13.009 ( 1.249 0.000 -1.975) 2.337 13.670 ( -1.586 0.000 3.050) 3.438 13.724 ( 4.999 0.000 3.628) 6.177 13.803 ( 4.908 0.000 1.485) 5.128 13.839 ( 0.579 0.000 3.578) 3.625 13.980 ( -4.805 0.000 -5.223) 7.098 13.989 ( -1.507 0.000 15.441) 15.514 14.082 ( 2.419 0.000 -14.025) 14.232 14.295 ( 0.779 0.000 0.311) 0.839 14.445 ( 2.334 0.000 0.055) 2.335 14.544 ( 1.113 0.000 -4.386) 4.525 14.675 ( -2.832 0.000 0.054) 2.832 14.860 ( 6.308 0.000 0.681) 6.345 14.923 ( -0.626 0.000 1.120) 1.283 15.027 ( -7.732 0.000 -3.350) 8.427 15.264 ( -3.247 0.000 2.295) 3.977 15.675 ( -1.368 0.000 -0.933) 1.656 15.805 ( 0.185 0.000 0.294) 0.347 16.065 ( -0.705 0.000 0.545) 0.891 16.282 ( -2.267 0.000 1.295) 2.611 16.586 ( -2.864 0.000 -0.162) 2.868 16.614 ( -1.369 0.000 -0.163) 1.378 16.642 ( -2.975 0.000 -0.700) 3.056 20.386 ( 0.241 0.000 -0.181) 0.301 20.494 ( 0.423 0.000 0.562) 0.703 20.736 ( -0.230 0.000 -1.705) 1.720 20.992 ( -0.832 0.000 -1.072) 1.357 21.205 ( 1.881 0.000 -3.271) 3.773 21.351 ( 1.547 0.000 0.397) 1.597 21.713 ( 1.729 0.000 -1.571) 2.337 21.722 ( 3.083 0.000 -1.158) 3.294 21.844 ( 7.833 0.000 -0.581) 7.855 21.928 ( 2.512 0.000 0.643) 2.593 22.015 ( -5.260 0.000 0.452) 5.279 22.028 ( -5.598 0.000 0.099) 5.599 22.717 ( 8.191 0.000 0.822) 8.232 22.813 ( 9.485 0.000 2.654) 9.849 23.025 ( -11.841 0.000 0.693) 11.861 23.101 ( -10.591 0.000 -0.380) 10.598 23.468 ( 1.073 0.000 1.004) 1.470 23.549 ( -1.043 0.000 2.149) 2.389 23.635 ( -0.325 0.000 0.530) 0.622 23.859 ( 5.290 0.000 1.368) 5.464 23.892 ( 6.281 0.000 -6.787) 9.248 24.089 ( -9.047 0.000 10.309) 13.716 24.295 ( -1.379 0.000 0.455) 1.452 24.836 ( -9.369 0.000 -2.533) 9.706 25.930 ( 1.269 0.000 0.120) 1.275 25.964 ( 2.838 0.000 -1.829) 3.376 25.983 ( -0.489 0.000 2.123) 2.179 26.220 ( 0.493 0.000 -0.928) 1.051 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 31.817 0.000) 31.817 0.617 ( 0.000 32.765 0.000) 32.765 1.136 ( 0.000 59.297 0.000) 59.297 1.762 ( 0.000 -3.433 0.000) 3.433 1.807 ( 0.000 -2.649 0.000) 2.649 1.903 ( 0.000 -4.601 0.000) 4.601 2.106 ( 0.000 -10.636 0.000) 10.636 2.260 ( 0.000 0.304 0.000) 0.304 2.301 ( 0.000 -2.000 0.000) 2.000 2.346 ( 0.000 3.334 0.000) 3.334 2.430 ( 0.000 -1.058 0.000) 1.058 2.589 ( 0.000 -0.546 0.000) 0.546 2.627 ( 0.000 -3.888 0.000) 3.888 2.633 ( 0.000 -1.529 0.000) 1.529 2.656 ( 0.000 0.612 0.000) 0.612 2.745 ( 0.000 -2.129 0.000) 2.129 2.866 ( 0.000 -0.896 0.000) 0.896 2.999 ( 0.000 6.189 0.000) 6.189 3.060 ( 0.000 -0.820 0.000) 0.820 3.073 ( 0.000 5.618 0.000) 5.618 3.136 ( 0.000 1.904 0.000) 1.904 3.223 ( 0.000 5.530 0.000) 5.530 3.307 ( 0.000 -1.798 0.000) 1.798 3.342 ( 0.000 -2.821 0.000) 2.821 3.374 ( 0.000 -0.221 0.000) 0.221 3.387 ( 0.000 -0.967 0.000) 0.967 3.431 ( 0.000 1.810 0.000) 1.810 3.533 ( 0.000 2.507 0.000) 2.507 3.578 ( 0.000 -6.418 0.000) 6.418 3.704 ( 0.000 8.504 0.000) 8.504 3.764 ( 0.000 0.219 0.000) 0.219 3.805 ( 0.000 3.147 0.000) 3.147 3.864 ( 0.000 4.357 0.000) 4.357 3.917 ( 0.000 -0.996 0.000) 0.996 3.969 ( 0.000 2.119 0.000) 2.119 4.006 ( 0.000 1.836 0.000) 1.836 4.149 ( 0.000 -17.794 0.000) 17.794 4.223 ( 0.000 -3.303 0.000) 3.303 4.229 ( 0.000 -4.288 0.000) 4.288 4.416 ( 0.000 1.330 0.000) 1.330 4.476 ( 0.000 -11.346 0.000) 11.346 4.577 ( 0.000 3.858 0.000) 3.858 4.692 ( 0.000 -6.830 0.000) 6.830 4.838 ( 0.000 3.037 0.000) 3.037 4.926 ( 0.000 0.300 0.000) 0.300 4.942 ( 0.000 2.473 0.000) 2.473 4.971 ( 0.000 -2.585 0.000) 2.585 5.124 ( 0.000 2.468 0.000) 2.468 5.233 ( 0.000 2.394 0.000) 2.394 5.308 ( 0.000 5.110 0.000) 5.110 5.334 ( 0.000 -5.000 0.000) 5.000 5.434 ( 0.000 -4.475 0.000) 4.475 5.581 ( 0.000 0.564 0.000) 0.564 5.747 ( 0.000 -3.331 0.000) 3.331 5.812 ( 0.000 0.169 0.000) 0.169 5.846 ( 0.000 8.371 0.000) 8.371 6.083 ( 0.000 -6.412 0.000) 6.412 6.141 ( 0.000 -3.512 0.000) 3.512 6.275 ( 0.000 3.367 0.000) 3.367 6.355 ( 0.000 1.446 0.000) 1.446 6.530 ( 0.000 -0.673 0.000) 0.673 6.533 ( 0.000 -0.419 0.000) 0.419 6.677 ( 0.000 3.289 0.000) 3.289 6.694 ( 0.000 7.833 0.000) 7.833 6.838 ( 0.000 2.916 0.000) 2.916 6.869 ( 0.000 5.857 0.000) 5.857 7.121 ( 0.000 -4.415 0.000) 4.415 7.190 ( 0.000 -5.970 0.000) 5.970 7.202 ( 0.000 -4.241 0.000) 4.241 7.313 ( 0.000 4.873 0.000) 4.873 7.401 ( 0.000 6.679 0.000) 6.679 7.503 ( 0.000 1.257 0.000) 1.257 7.640 ( 0.000 -7.883 0.000) 7.883 7.722 ( 0.000 3.939 0.000) 3.939 7.734 ( 0.000 -2.773 0.000) 2.773 7.815 ( 0.000 -9.358 0.000) 9.358 8.021 ( 0.000 -7.644 0.000) 7.644 8.082 ( 0.000 -3.343 0.000) 3.343 8.215 ( 0.000 9.284 0.000) 9.284 8.362 ( 0.000 0.304 0.000) 0.304 8.427 ( 0.000 -5.261 0.000) 5.261 8.580 ( 0.000 3.872 0.000) 3.872 8.715 ( 0.000 4.711 0.000) 4.711 8.801 ( 0.000 -1.835 0.000) 1.835 8.994 ( 0.000 2.057 0.000) 2.057 9.032 ( 0.000 -1.002 0.000) 1.002 9.124 ( 0.000 -2.981 0.000) 2.981 9.207 ( 0.000 4.239 0.000) 4.239 9.333 ( 0.000 3.885 0.000) 3.885 9.427 ( 0.000 -3.847 0.000) 3.847 9.434 ( 0.000 0.767 0.000) 0.767 9.550 ( 0.000 -0.865 0.000) 0.865 9.637 ( 0.000 4.985 0.000) 4.985 9.788 ( 0.000 -1.972 0.000) 1.972 9.866 ( 0.000 2.846 0.000) 2.846 9.873 ( 0.000 -9.934 0.000) 9.934 9.955 ( 0.000 -8.381 0.000) 8.381 10.011 ( 0.000 3.497 0.000) 3.497 10.076 ( 0.000 1.228 0.000) 1.228 10.164 ( 0.000 -1.402 0.000) 1.402 10.216 ( 0.000 0.534 0.000) 0.534 10.216 ( 0.000 4.801 0.000) 4.801 10.361 ( 0.000 8.472 0.000) 8.472 10.524 ( 0.000 7.286 0.000) 7.286 10.677 ( 0.000 4.160 0.000) 4.160 10.739 ( 0.000 0.926 0.000) 0.926 10.922 ( 0.000 -4.742 0.000) 4.742 11.057 ( 0.000 3.684 0.000) 3.684 11.082 ( 0.000 -1.193 0.000) 1.193 11.229 ( 0.000 3.625 0.000) 3.625 11.405 ( 0.000 -2.116 0.000) 2.116 11.486 ( 0.000 2.223 0.000) 2.223 11.491 ( 0.000 -8.215 0.000) 8.215 11.661 ( 0.000 -8.953 0.000) 8.953 11.748 ( 0.000 -1.181 0.000) 1.181 11.789 ( 0.000 -0.124 0.000) 0.124 11.939 ( 0.000 1.831 0.000) 1.831 11.954 ( 0.000 3.721 0.000) 3.721 11.998 ( 0.000 -1.554 0.000) 1.554 12.053 ( 0.000 -4.583 0.000) 4.583 12.151 ( 0.000 0.790 0.000) 0.790 12.201 ( 0.000 -4.527 0.000) 4.527 12.266 ( 0.000 -4.791 0.000) 4.791 12.478 ( 0.000 3.907 0.000) 3.907 12.593 ( 0.000 -9.362 0.000) 9.362 12.693 ( 0.000 11.049 0.000) 11.049 12.707 ( 0.000 -2.746 0.000) 2.746 12.870 ( 0.000 1.561 0.000) 1.561 12.912 ( 0.000 1.445 0.000) 1.445 12.972 ( 0.000 0.157 0.000) 0.157 13.016 ( 0.000 3.720 0.000) 3.720 13.505 ( 0.000 -0.604 0.000) 0.604 13.525 ( 0.000 -1.210 0.000) 1.210 13.609 ( 0.000 -10.797 0.000) 10.797 13.907 ( 0.000 -2.139 0.000) 2.139 14.017 ( 0.000 0.251 0.000) 0.251 14.070 ( 0.000 3.372 0.000) 3.372 14.182 ( 0.000 -1.351 0.000) 1.351 14.218 ( 0.000 2.717 0.000) 2.717 14.350 ( 0.000 -1.850 0.000) 1.850 14.739 ( 0.000 6.231 0.000) 6.231 14.929 ( 0.000 -7.169 0.000) 7.169 14.968 ( 0.000 4.967 0.000) 4.967 15.315 ( 0.000 4.951 0.000) 4.951 15.397 ( 0.000 3.956 0.000) 3.956 15.664 ( 0.000 -6.049 0.000) 6.049 15.877 ( 0.000 4.973 0.000) 4.973 16.086 ( 0.000 -0.962 0.000) 0.962 16.489 ( 0.000 1.617 0.000) 1.617 16.701 ( 0.000 -3.927 0.000) 3.927 16.882 ( 0.000 1.330 0.000) 1.330 16.967 ( 0.000 -0.657 0.000) 0.657 20.442 ( 0.000 1.453 0.000) 1.453 20.588 ( 0.000 -2.178 0.000) 2.178 20.593 ( 0.000 0.638 0.000) 0.638 20.703 ( 0.000 -2.617 0.000) 2.617 21.238 ( 0.000 3.919 0.000) 3.919 21.385 ( 0.000 3.124 0.000) 3.124 21.387 ( 0.000 2.211 0.000) 2.211 21.575 ( 0.000 -1.485 0.000) 1.485 21.714 ( 0.000 3.318 0.000) 3.318 22.071 ( 0.000 -4.252 0.000) 4.252 22.236 ( 0.000 4.039 0.000) 4.039 22.341 ( 0.000 0.849 0.000) 0.849 22.537 ( 0.000 -0.968 0.000) 0.968 22.877 ( 0.000 -8.763 0.000) 8.763 23.280 ( 0.000 1.245 0.000) 1.245 23.373 ( 0.000 1.664 0.000) 1.664 23.571 ( 0.000 -5.564 0.000) 5.564 23.591 ( 0.000 -3.648 0.000) 3.648 23.660 ( 0.000 0.396 0.000) 0.396 23.716 ( 0.000 -1.359 0.000) 1.359 23.806 ( 0.000 6.961 0.000) 6.961 24.214 ( 0.000 -7.795 0.000) 7.795 24.803 ( 0.000 17.769 0.000) 17.769 25.615 ( 0.000 -5.873 0.000) 5.873 25.809 ( 0.000 0.229 0.000) 0.229 25.830 ( 0.000 -0.284 0.000) 0.284 25.832 ( 0.000 -0.116 0.000) 0.116 25.872 ( 0.000 -2.385 0.000) 2.385 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 20.860 21.327 -0.003) 29.833 0.899 ( 21.312 18.719 6.864) 29.184 1.511 ( 19.954 29.365 9.198) 36.675 1.636 ( -3.596 2.949 -13.018) 13.823 1.831 ( 11.837 -0.802 3.169) 12.280 1.972 ( -0.675 0.628 9.534) 9.578 2.144 ( 7.539 -9.374 1.184) 12.088 2.279 ( -0.111 0.510 -6.173) 6.195 2.326 ( 5.911 -0.655 -2.489) 6.447 2.418 ( 9.007 1.620 -3.319) 9.735 2.560 ( 4.978 -1.542 6.665) 8.461 2.620 ( 3.014 -0.768 -5.557) 6.368 2.636 ( 1.486 -1.041 -1.028) 2.085 2.647 ( 4.712 -4.424 -3.070) 7.156 2.701 ( 3.550 -0.109 2.834) 4.544 2.798 ( 4.952 -0.821 3.134) 5.918 2.864 ( -1.586 1.764 3.320) 4.081 2.938 ( -4.360 4.806 -4.364) 7.820 3.067 ( -3.090 1.852 -3.164) 4.794 3.103 ( -0.572 -0.741 -3.659) 3.777 3.109 ( 2.326 3.608 -0.545) 4.328 3.174 ( -0.808 0.805 -2.299) 2.566 3.294 ( -0.287 -3.857 -0.100) 3.868 3.345 ( -2.783 -1.454 -0.269) 3.151 3.390 ( -0.282 -1.603 0.127) 1.632 3.405 ( -0.094 -0.826 1.607) 1.809 3.455 ( 3.393 1.113 3.261) 4.836 3.510 ( -0.706 2.222 1.980) 3.059 3.602 ( 2.379 -2.629 -0.731) 3.620 3.728 ( 2.158 5.498 2.500) 6.413 3.740 ( -3.159 1.827 3.331) 4.941 3.802 ( -4.943 4.121 -2.459) 6.889 3.834 ( 2.833 6.929 -1.070) 7.562 3.959 ( 3.597 0.257 1.273) 3.824 4.024 ( 4.354 -0.061 0.417) 4.374 4.053 ( 3.523 2.198 2.207) 4.703 4.164 ( 1.759 -14.502 -0.866) 14.633 4.253 ( -0.335 -3.572 -1.034) 3.734 4.307 ( 3.314 -6.771 -2.455) 7.928 4.498 ( 6.112 -5.889 -0.447) 8.500 4.544 ( 3.202 0.296 1.995) 3.785 4.589 ( -0.875 -1.026 1.163) 1.781 4.745 ( 1.638 -4.406 1.623) 4.973 4.787 ( -4.265 0.782 -4.659) 6.364 4.919 ( -0.442 -1.148 0.143) 1.238 4.980 ( 3.724 -4.288 0.282) 5.686 5.024 ( 3.146 -4.767 0.310) 5.720 5.138 ( -0.800 0.104 -0.695) 1.064 5.264 ( 5.286 3.614 -2.114) 6.743 5.288 ( -0.541 0.664 -0.502) 0.993 5.326 ( 0.045 -0.527 2.824) 2.873 5.433 ( 3.031 -0.972 -6.219) 6.987 5.575 ( -0.954 -0.481 1.846) 2.133 5.695 ( -4.979 -0.761 1.257) 5.192 5.795 ( -2.778 3.471 -0.852) 4.527 5.882 ( 1.684 -2.503 2.869) 4.163 6.013 ( -5.216 -4.864 -2.414) 7.530 6.121 ( -4.583 -2.266 2.444) 5.667 6.201 ( -9.285 0.825 3.064) 9.812 6.252 ( -10.286 0.929 0.343) 10.334 6.356 ( -12.363 2.151 1.643) 12.656 6.470 ( -4.117 -1.043 0.634) 4.294 6.608 ( -6.797 7.901 -0.178) 10.424 6.713 ( 1.152 5.601 -3.976) 6.964 6.804 ( -4.216 3.584 -2.105) 5.921 7.000 ( 7.545 0.337 0.792) 7.594 7.023 ( -10.759 -2.347 1.720) 11.146 7.150 ( -3.949 -1.201 -0.823) 4.209 7.230 ( -0.155 3.674 0.622) 3.729 7.359 ( 10.884 1.235 -2.529) 11.242 7.435 ( 5.734 4.086 -4.527) 8.371 7.482 ( -13.120 12.771 -7.295) 19.709 7.580 ( 1.726 0.591 1.813) 2.572 7.665 ( 1.795 -3.331 1.428) 4.045 7.777 ( 6.812 -4.587 -2.170) 8.494 7.874 ( 2.134 -6.923 4.043) 8.296 8.007 ( -1.323 4.075 2.189) 4.811 8.067 ( 3.120 -5.484 1.043) 6.395 8.142 ( 3.790 -1.359 -1.776) 4.400 8.351 ( -4.465 -2.612 -2.761) 5.863 8.381 ( -4.328 -2.322 6.653) 8.270 8.505 ( -4.790 4.039 2.881) 6.896 8.652 ( -5.537 -0.567 -0.055) 5.567 8.695 ( -2.798 3.937 1.463) 5.047 9.024 ( -3.147 4.828 -0.268) 5.769 9.074 ( 1.442 3.599 0.679) 3.936 9.176 ( 6.733 -3.336 -1.817) 7.731 9.218 ( 0.577 2.334 -1.602) 2.889 9.271 ( -0.143 3.381 1.607) 3.746 9.377 ( -3.486 -0.546 3.212) 4.771 9.521 ( -2.709 -2.769 0.762) 3.948 9.581 ( 7.028 0.134 -4.429) 8.308 9.657 ( 0.968 0.746 1.679) 2.077 9.664 ( -0.430 5.137 4.684) 6.965 9.741 ( -8.787 2.930 -6.078) 11.079 9.803 ( -2.517 2.648 -6.551) 7.501 9.908 ( 0.200 -2.815 -5.542) 6.219 9.967 ( -2.667 -0.221 0.915) 2.828 10.047 ( 1.379 7.018 0.284) 7.158 10.165 ( 2.766 2.537 3.989) 5.478 10.198 ( 2.576 -2.187 1.359) 3.642 10.310 ( 0.767 2.525 1.697) 3.138 10.469 ( 1.977 3.430 3.925) 5.574 10.600 ( -0.841 -0.680 -5.363) 5.471 10.638 ( -3.507 1.998 -3.169) 5.132 10.735 ( 1.695 -4.223 -2.824) 5.356 10.975 ( -0.358 -5.898 -0.163) 5.911 11.071 ( -1.069 -1.816 -6.011) 6.370 11.145 ( 0.918 -5.563 5.249) 7.704 11.271 ( 1.486 2.993 3.263) 4.671 11.321 ( 0.286 4.000 2.636) 4.799 11.468 ( -4.877 -4.559 2.150) 7.014 11.588 ( -0.063 -1.787 0.536) 1.866 11.645 ( -3.921 -3.066 -0.571) 5.010 11.726 ( -5.859 1.615 5.549) 8.230 11.778 ( -2.747 -0.352 -1.120) 2.987 11.871 ( 4.846 -7.828 0.109) 9.207 11.972 ( 6.262 0.968 -5.332) 8.281 12.026 ( 0.550 -2.117 1.608) 2.714 12.131 ( 6.768 -0.299 5.317) 8.612 12.227 ( 7.775 2.170 -0.073) 8.073 12.287 ( 6.039 -3.133 0.469) 6.819 12.375 ( 7.648 -4.930 0.141) 9.100 12.476 ( -0.660 2.223 -4.846) 5.372 12.583 ( -0.176 -7.151 -1.736) 7.361 12.694 ( 5.122 0.967 -3.143) 6.087 12.790 ( 6.374 1.806 -4.809) 8.186 12.844 ( 5.627 4.882 -7.231) 10.382 12.938 ( -1.445 3.862 -2.476) 4.810 12.968 ( 5.972 0.396 -4.643) 7.575 13.417 ( 7.955 -9.946 -0.249) 12.739 13.534 ( 6.577 -1.002 0.711) 6.690 13.589 ( 4.163 -3.070 15.412) 16.257 13.670 ( 2.877 -8.451 3.371) 9.543 13.890 ( 0.616 -1.282 2.695) 3.047 13.997 ( 0.709 -2.203 -6.185) 6.604 14.108 ( -0.213 0.997 0.089) 1.023 14.199 ( 5.010 -1.647 3.697) 6.440 14.245 ( 0.849 0.184 3.862) 3.959 14.501 ( 13.983 -13.409 -20.952) 28.536 14.728 ( -1.074 3.066 -0.370) 3.269 14.881 ( -4.603 -5.079 3.134) 7.537 14.979 ( -0.968 3.855 3.438) 5.255 15.288 ( -1.605 4.885 -3.391) 6.159 15.390 ( -3.681 2.598 6.966) 8.296 15.664 ( -0.833 -6.423 1.441) 6.635 15.864 ( -0.690 5.500 -0.506) 5.567 16.082 ( -0.712 -1.084 0.688) 1.468 16.447 ( -4.962 1.137 1.927) 5.443 16.659 ( -4.125 -4.453 1.253) 6.198 16.826 ( -5.589 1.288 -0.118) 5.737 16.883 ( -6.419 0.952 -1.544) 6.670 20.443 ( -1.213 2.390 -0.211) 2.689 20.480 ( -1.445 4.094 1.625) 4.636 20.691 ( 0.498 -4.926 -3.286) 5.942 20.787 ( 9.536 -12.024 -5.702) 16.371 21.228 ( -0.247 6.066 0.326) 6.080 21.406 ( 2.063 3.497 0.365) 4.076 21.459 ( 6.740 1.590 -0.431) 6.939 21.602 ( 3.300 -1.825 -1.846) 4.198 21.750 ( 3.619 5.082 0.088) 6.240 22.083 ( -0.138 2.934 -1.419) 3.262 22.191 ( -3.366 4.999 -4.083) 7.279 22.252 ( -5.033 3.842 -6.135) 8.817 22.545 ( 0.555 -0.111 -0.256) 0.621 22.667 ( -3.919 11.682 -17.487) 21.392 23.157 ( -9.141 -6.200 8.960) 14.222 23.406 ( 0.365 -0.984 -0.111) 1.056 23.485 ( -1.501 1.647 -3.839) 4.439 23.599 ( -1.347 -2.004 7.982) 8.339 23.641 ( -3.554 2.631 7.035) 8.309 23.707 ( -7.060 2.529 9.008) 11.721 23.741 ( 1.093 0.867 3.302) 3.585 24.153 ( -9.422 -11.039 8.520) 16.829 24.755 ( -7.905 16.907 5.138) 19.358 25.381 ( -13.636 -0.064 -1.186) 13.688 25.833 ( 2.386 0.197 0.075) 2.395 25.849 ( 2.976 0.470 -0.483) 3.051 25.882 ( 3.141 -1.065 1.096) 3.493 26.078 ( 8.889 -9.630 -4.101) 13.733 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 17.048 4.191 -4.327) 18.081 1.343 ( 17.633 8.321 7.306) 20.822 1.483 ( 8.315 2.900 -2.791) 9.238 1.686 ( 0.831 6.123 -2.214) 6.564 1.995 ( -1.261 3.003 8.559) 9.158 2.231 ( 2.438 1.508 -3.867) 4.814 2.310 ( 11.532 -5.961 1.899) 13.120 2.341 ( 6.714 -7.295 -2.692) 10.273 2.473 ( 4.362 0.212 -8.126) 9.225 2.533 ( 13.281 5.496 0.272) 14.376 2.620 ( 1.301 -2.296 -0.086) 2.640 2.646 ( -2.978 3.335 -1.038) 4.590 2.666 ( 7.390 3.668 4.607) 9.450 2.749 ( 6.369 -4.184 -4.036) 8.624 2.786 ( -3.933 0.368 -5.087) 6.441 2.818 ( 6.025 1.557 0.849) 6.281 2.881 ( 1.053 0.749 2.581) 2.886 2.909 ( -3.661 0.809 -3.172) 4.911 2.966 ( 1.740 -0.014 0.979) 1.996 3.014 ( -1.098 0.413 0.524) 1.285 3.180 ( 1.364 -0.881 2.806) 3.242 3.191 ( 2.744 1.011 -2.878) 4.103 3.236 ( 0.944 -1.106 1.930) 2.417 3.333 ( 1.134 -5.797 1.220) 6.032 3.356 ( -4.224 -0.373 -1.141) 4.391 3.459 ( 3.952 2.447 0.721) 4.704 3.511 ( 3.214 3.620 3.884) 6.207 3.573 ( 4.186 -0.412 0.339) 4.220 3.605 ( -6.692 2.802 -0.177) 7.257 3.705 ( 4.706 5.410 -0.134) 7.171 3.739 ( -1.429 5.233 3.053) 6.224 3.792 ( 2.121 2.300 -4.046) 5.114 3.940 ( 7.566 3.660 -3.333) 9.041 4.032 ( -1.591 1.305 2.661) 3.363 4.051 ( 1.750 -2.115 -0.124) 2.748 4.128 ( 5.333 -0.364 -2.749) 6.011 4.222 ( 2.341 -0.949 -0.736) 2.631 4.251 ( 3.646 -1.977 3.366) 5.342 4.372 ( 2.724 -3.226 1.246) 4.402 4.485 ( -3.897 -4.809 4.310) 7.543 4.559 ( -3.384 2.923 3.956) 5.970 4.609 ( 1.299 3.184 -0.638) 3.498 4.684 ( -1.776 -1.102 -1.139) 2.381 4.838 ( -5.049 -2.233 -1.780) 5.801 4.859 ( 1.262 -2.031 0.639) 2.475 4.975 ( -0.332 -5.216 -0.989) 5.319 5.017 ( -0.285 -6.253 1.962) 6.560 5.091 ( -1.557 0.529 -3.238) 3.632 5.290 ( -1.342 1.329 -3.346) 3.843 5.371 ( 4.535 1.868 -3.981) 6.317 5.382 ( 2.535 -0.604 -0.239) 2.617 5.497 ( 5.961 4.113 -2.489) 7.658 5.530 ( -0.607 -1.393 -3.450) 3.770 5.605 ( -4.498 4.312 -0.515) 6.252 5.747 ( -0.561 5.721 1.399) 5.917 5.851 ( -6.541 -4.528 -1.592) 8.114 5.926 ( -8.317 -0.047 0.485) 8.332 5.965 ( -10.488 -4.468 2.414) 11.652 6.009 ( -6.903 -0.749 -1.557) 7.116 6.088 ( -6.729 -0.901 3.404) 7.594 6.191 ( -6.715 1.920 2.258) 7.340 6.416 ( -6.030 -1.343 2.692) 6.738 6.430 ( -7.578 7.974 -2.309) 11.240 6.651 ( -4.938 6.520 -1.174) 8.263 6.668 ( -16.677 0.363 -1.492) 16.748 6.773 ( -2.630 4.109 1.257) 5.038 7.117 ( 1.682 -2.694 -1.593) 3.553 7.169 ( 6.568 -2.200 0.542) 6.948 7.203 ( -0.538 3.769 0.580) 3.851 7.394 ( 4.896 8.830 -1.243) 10.173 7.511 ( 2.946 0.903 1.035) 3.250 7.563 ( 10.105 3.074 -5.585) 11.948 7.658 ( 4.349 -3.652 0.537) 5.704 7.727 ( 1.092 -3.629 3.289) 5.018 7.900 ( 5.762 -7.378 -1.360) 9.460 7.940 ( 4.161 -7.121 0.960) 8.304 8.058 ( -0.687 -3.934 1.675) 4.331 8.101 ( -1.709 -3.708 -8.623) 9.541 8.142 ( 2.089 -0.357 4.702) 5.157 8.246 ( 1.915 -0.295 0.963) 2.164 8.387 ( -3.022 1.493 0.092) 3.372 8.446 ( -3.271 5.246 3.180) 6.952 8.564 ( -4.496 -4.736 1.942) 6.814 8.660 ( -3.452 2.126 3.545) 5.386 8.913 ( -5.576 8.218 -4.988) 11.113 9.135 ( 3.567 0.010 3.474) 4.979 9.189 ( -0.406 -0.920 -3.728) 3.862 9.299 ( 2.197 -3.009 -0.060) 3.726 9.311 ( 1.122 0.707 4.207) 4.411 9.364 ( 2.766 2.796 0.889) 4.032 9.422 ( -8.540 -0.925 0.651) 8.614 9.543 ( -4.260 1.255 -6.643) 7.991 9.584 ( 0.264 2.951 3.496) 4.582 9.663 ( 0.051 4.052 -0.398) 4.072 9.713 ( 2.203 -0.628 -7.185) 7.541 9.891 ( 8.276 -0.583 1.166) 8.378 9.909 ( 2.078 0.898 -3.211) 3.929 9.964 ( 0.562 1.192 2.201) 2.566 10.104 ( 5.234 4.900 0.611) 7.195 10.194 ( -2.077 0.951 3.316) 4.027 10.205 ( -3.533 1.757 -1.473) 4.211 10.319 ( 0.677 -4.318 0.250) 4.377 10.469 ( -2.537 0.572 -4.326) 5.048 10.586 ( 3.711 6.280 3.513) 8.097 10.595 ( 0.650 0.019 -2.776) 2.851 10.775 ( 2.406 -3.385 0.556) 4.190 10.951 ( -2.159 -5.038 -0.421) 5.497 11.005 ( -0.504 -4.117 -3.410) 5.369 11.130 ( -2.343 1.737 -1.277) 3.184 11.253 ( -8.069 0.446 3.453) 8.788 11.297 ( -4.797 0.285 3.302) 5.831 11.406 ( -3.863 -1.151 1.211) 4.209 11.505 ( -4.272 3.869 1.382) 5.927 11.583 ( -2.381 -2.573 4.191) 5.464 11.650 ( -3.527 -3.646 0.086) 5.074 11.752 ( -0.917 4.198 0.209) 4.302 11.933 ( 1.982 -7.647 1.776) 8.097 12.020 ( 2.221 0.310 -4.361) 4.903 12.169 ( 6.640 0.317 -0.565) 6.671 12.319 ( 10.319 -0.366 3.700) 10.969 12.391 ( 1.269 2.511 -3.731) 4.673 12.422 ( 11.099 -0.749 1.785) 11.267 12.450 ( 5.454 -3.313 0.818) 6.434 12.494 ( 5.821 -8.023 -0.156) 9.914 12.580 ( 1.931 -4.293 -1.215) 4.862 12.763 ( 4.466 -2.873 -5.865) 7.912 12.823 ( -0.679 -0.789 -4.438) 4.559 12.883 ( 2.068 0.450 -0.396) 2.153 12.979 ( 5.026 12.378 -3.718) 13.867 13.035 ( 4.960 4.219 -6.698) 9.341 13.509 ( 5.964 -5.987 5.361) 10.007 13.655 ( -0.994 -1.626 2.614) 3.236 13.682 ( 7.094 -2.968 0.398) 7.700 13.770 ( 3.382 -0.565 7.821) 8.539 13.939 ( -0.206 -3.044 -5.452) 6.247 14.002 ( 2.687 -0.871 4.712) 5.494 14.111 ( 0.587 1.968 -1.549) 2.572 14.260 ( -0.247 -2.360 0.230) 2.384 14.323 ( 4.043 -2.905 2.831) 5.727 14.581 ( 7.957 -7.952 -5.070) 12.339 14.658 ( -2.859 0.421 -7.037) 7.607 14.825 ( -3.827 -1.855 2.238) 4.805 14.974 ( -1.102 3.852 1.276) 4.205 15.210 ( -4.493 4.255 -3.713) 7.217 15.344 ( -5.060 2.294 4.565) 7.190 15.643 ( -2.031 -6.497 0.216) 6.810 15.854 ( -0.097 4.683 -0.398) 4.701 16.068 ( -1.211 -1.350 0.715) 1.950 16.355 ( -5.731 1.115 2.584) 6.385 16.589 ( -3.887 -5.793 1.289) 7.094 16.700 ( -6.861 1.294 -0.388) 6.993 16.748 ( -6.567 0.247 -1.513) 6.744 20.412 ( -0.922 2.460 -0.760) 2.735 20.500 ( 0.952 2.806 1.757) 3.445 20.664 ( -0.699 -6.897 -3.592) 7.807 20.870 ( 3.261 -12.143 -3.799) 13.135 21.255 ( 3.069 9.080 -0.253) 9.588 21.448 ( 2.626 7.084 -1.337) 7.672 21.594 ( 7.136 -1.108 -1.583) 7.393 21.673 ( 5.531 -0.549 -0.806) 5.616 21.837 ( 5.080 6.840 0.788) 8.557 21.993 ( -2.683 12.125 -7.770) 14.649 22.125 ( -5.621 1.239 0.843) 5.817 22.163 ( -1.539 2.855 -1.543) 3.592 22.562 ( 3.244 0.271 -0.673) 3.324 22.648 ( 4.028 -0.182 1.229) 4.215 23.047 ( -9.187 -11.124 7.101) 16.080 23.320 ( -8.563 -4.331 -5.442) 11.031 23.471 ( 1.101 3.069 -0.014) 3.260 23.574 ( -5.264 0.380 5.113) 7.348 23.644 ( -2.941 1.783 8.959) 9.597 23.736 ( 7.848 2.626 0.627) 8.299 23.811 ( 6.552 -0.009 -5.262) 8.403 24.033 ( -9.296 -11.343 11.501) 18.637 24.598 ( -10.894 15.068 3.400) 18.902 25.097 ( -15.429 -1.200 -2.576) 15.688 25.887 ( 2.972 0.020 0.018) 2.972 25.912 ( 3.725 0.401 -0.877) 3.848 25.945 ( 2.376 -0.685 1.620) 2.956 26.155 ( 3.049 -5.650 -2.366) 6.842 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -0.126 2.097 -4.906) 5.337 1.601 ( -0.221 -4.707 -1.309) 4.891 1.767 ( 18.485 4.588 4.562) 19.584 1.891 ( 13.929 1.850 2.726) 14.313 2.044 ( 5.345 7.349 5.893) 10.830 2.206 ( -5.550 0.655 2.097) 5.970 2.275 ( -5.523 -3.496 -4.919) 8.180 2.397 ( -5.015 1.264 -7.412) 9.038 2.419 ( -7.237 4.236 -2.960) 8.893 2.520 ( 1.769 -5.309 -1.240) 5.732 2.586 ( -1.530 -1.959 0.322) 2.507 2.642 ( 2.356 -3.693 1.444) 4.612 2.721 ( 0.570 0.600 -2.255) 2.402 2.757 ( -1.980 -4.005 -1.630) 4.756 2.771 ( -0.614 -1.820 -1.610) 2.507 2.815 ( -1.266 -5.317 -2.800) 6.142 2.942 ( 6.312 1.266 -0.792) 6.486 2.959 ( 5.628 -0.120 0.642) 5.665 3.042 ( 2.609 0.325 -1.731) 3.148 3.092 ( 0.081 -1.656 0.124) 1.663 3.147 ( -5.469 -0.559 -1.150) 5.616 3.212 ( -2.930 -1.192 3.970) 5.076 3.349 ( 2.489 0.163 4.502) 5.147 3.366 ( 2.391 -1.507 0.608) 2.890 3.425 ( 4.224 -0.557 1.408) 4.487 3.508 ( -0.879 4.396 3.702) 5.813 3.554 ( 5.152 9.653 -1.179) 11.005 3.657 ( 1.947 0.427 2.303) 3.046 3.685 ( 15.533 3.818 4.302) 16.564 3.716 ( 0.812 6.490 -2.535) 7.015 3.770 ( 2.685 4.245 -0.965) 5.115 3.787 ( 2.207 7.896 -2.042) 8.449 3.924 ( -5.159 4.719 -0.478) 7.008 4.024 ( 1.181 -7.861 0.226) 7.952 4.152 ( 5.183 -2.671 -0.443) 5.847 4.221 ( 4.733 2.477 -9.182) 10.623 4.232 ( -0.443 -0.952 3.230) 3.396 4.313 ( -3.608 0.326 1.989) 4.133 4.374 ( -4.476 0.476 3.844) 5.919 4.465 ( -6.055 4.173 -3.707) 8.236 4.539 ( 1.750 -4.640 4.286) 6.554 4.567 ( -6.373 -0.506 -0.570) 6.419 4.575 ( 0.708 6.131 5.478) 8.252 4.793 ( 2.616 3.503 4.928) 6.588 4.921 ( 2.026 -7.251 -2.889) 8.064 4.989 ( -2.037 -2.192 -1.389) 3.299 5.027 ( -1.264 -0.638 -5.474) 5.654 5.117 ( 7.146 0.324 -0.387) 7.164 5.176 ( -2.912 -6.253 -1.796) 7.128 5.297 ( -2.085 -3.262 0.026) 3.872 5.445 ( 1.504 5.091 -1.773) 5.597 5.515 ( 3.196 3.650 -5.236) 7.138 5.542 ( -4.519 1.937 0.756) 4.974 5.592 ( -3.730 2.724 -0.559) 4.653 5.659 ( -6.311 3.644 6.054) 9.474 5.690 ( -3.823 3.177 -3.436) 6.043 5.848 ( -1.272 0.338 -1.113) 1.724 5.900 ( 2.341 6.243 3.038) 7.327 5.940 ( 2.717 -5.676 -3.245) 7.081 5.996 ( -5.012 -0.561 3.192) 5.968 6.166 ( -1.276 0.882 -1.024) 1.858 6.216 ( -8.133 5.916 -0.230) 10.060 6.369 ( -4.793 -4.059 1.489) 6.455 6.426 ( -4.774 -1.292 -0.130) 4.948 6.568 ( -2.854 7.550 -0.022) 8.071 6.773 ( 0.329 3.082 0.569) 3.151 7.154 ( 1.947 -5.301 -0.997) 5.735 7.246 ( 2.824 -1.309 0.532) 3.158 7.296 ( 8.062 -3.339 1.067) 8.791 7.495 ( 3.917 2.315 2.237) 5.070 7.503 ( -5.692 -2.416 0.671) 6.220 7.564 ( -5.838 -2.151 -3.333) 7.058 7.720 ( 6.593 -0.827 -2.894) 7.247 7.788 ( 0.713 -4.325 -1.479) 4.626 7.919 ( 1.489 -2.265 1.763) 3.233 8.010 ( 3.087 -1.188 0.148) 3.311 8.040 ( -1.183 -2.675 0.209) 2.932 8.135 ( 1.649 -2.191 -0.708) 2.832 8.184 ( 0.271 0.931 3.013) 3.165 8.292 ( -4.403 1.598 -0.729) 4.741 8.336 ( 7.033 -0.627 -2.420) 7.464 8.433 ( 0.853 2.491 -1.238) 2.909 8.504 ( -5.323 -3.630 5.114) 8.225 8.597 ( -4.028 0.826 1.607) 4.415 8.809 ( -1.919 11.135 -3.169) 11.735 9.182 ( 1.977 -1.582 -1.066) 2.747 9.204 ( 0.818 -1.647 2.640) 3.217 9.254 ( -1.870 -3.253 -1.310) 3.974 9.278 ( -4.885 0.479 -0.040) 4.909 9.400 ( 2.652 1.324 3.172) 4.342 9.435 ( 1.320 2.253 -0.916) 2.767 9.469 ( -0.539 0.343 -2.651) 2.727 9.645 ( 0.364 -0.503 2.595) 2.669 9.667 ( 1.750 3.014 -1.427) 3.766 9.701 ( 0.834 4.736 -1.077) 4.928 9.941 ( 2.431 4.064 -0.932) 4.827 9.962 ( 0.640 -4.214 0.757) 4.329 10.012 ( 1.707 0.301 0.623) 1.842 10.097 ( -3.457 2.095 -3.359) 5.256 10.126 ( -2.175 -3.167 -1.329) 4.065 10.228 ( 1.047 2.601 -0.920) 2.950 10.324 ( 0.811 -2.218 3.563) 4.274 10.494 ( 5.405 2.516 -0.603) 5.993 10.593 ( -0.563 5.318 1.032) 5.446 10.666 ( 2.354 0.750 0.204) 2.479 10.800 ( 0.171 -6.441 0.949) 6.513 10.894 ( -4.506 -1.739 -1.787) 5.150 11.000 ( 0.715 -4.940 0.623) 5.031 11.062 ( -0.519 -0.831 -3.529) 3.662 11.161 ( -2.550 -4.129 -2.059) 5.271 11.221 ( -3.835 -0.500 3.914) 5.502 11.303 ( -4.766 4.660 1.400) 6.811 11.508 ( 1.211 5.083 3.169) 6.111 11.558 ( -1.742 -4.539 -2.550) 5.490 11.628 ( -1.836 -2.208 5.726) 6.406 11.735 ( 0.085 6.602 -1.333) 6.736 11.975 ( 1.128 -7.307 0.945) 7.454 12.022 ( 0.939 2.626 -3.161) 4.216 12.241 ( 2.004 2.611 1.514) 3.623 12.314 ( -2.273 -1.205 -3.107) 4.034 12.493 ( 2.576 -9.295 -0.565) 9.662 12.519 ( 3.490 0.651 1.157) 3.734 12.615 ( 6.780 -2.732 0.311) 7.316 12.633 ( 3.585 -2.239 3.240) 5.326 12.669 ( 7.410 -2.645 -1.679) 8.045 12.735 ( -2.973 0.941 -2.130) 3.776 12.816 ( 1.251 -5.043 -1.265) 5.348 12.883 ( -2.159 2.856 -0.726) 3.653 12.985 ( 0.541 6.897 -2.973) 7.530 13.095 ( 3.587 7.136 -2.379) 8.333 13.625 ( -0.636 -6.146 -0.599) 6.208 13.664 ( 3.383 -8.526 6.526) 11.258 13.820 ( 5.188 3.175 -8.505) 10.456 13.855 ( 2.379 -6.373 3.118) 7.483 13.873 ( -2.133 2.773 4.407) 5.626 14.048 ( -5.132 1.763 6.972) 8.834 14.093 ( 3.277 2.630 -6.950) 8.121 14.278 ( 2.652 -2.331 -1.119) 3.704 14.351 ( -2.397 -5.891 2.468) 6.822 14.596 ( 0.277 3.337 -3.553) 4.882 14.755 ( 8.537 -0.816 2.797) 9.021 14.776 ( -1.514 -0.116 2.327) 2.778 14.947 ( -2.211 0.976 -2.195) 3.265 15.085 ( -5.188 5.243 -2.576) 7.813 15.286 ( -2.546 2.617 1.420) 3.918 15.604 ( -1.409 -6.440 -0.414) 6.606 15.851 ( -0.045 3.865 -0.173) 3.869 16.051 ( -0.708 -1.604 0.270) 1.774 16.291 ( -2.269 1.124 1.294) 2.843 16.543 ( -1.505 -6.164 0.554) 6.369 16.600 ( -3.038 1.220 -0.157) 3.277 16.645 ( -2.931 -0.087 -0.822) 3.046 20.400 ( -0.125 1.383 -0.295) 1.419 20.522 ( 0.382 2.838 0.732) 2.955 20.631 ( -0.571 -7.800 -1.612) 7.985 20.883 ( 0.480 -10.043 -1.081) 10.113 21.311 ( 2.250 11.309 -0.492) 11.541 21.484 ( 1.640 9.259 -0.763) 9.434 21.666 ( 1.900 -2.735 -1.025) 3.484 21.788 ( 5.618 3.494 0.326) 6.624 21.912 ( 0.513 -0.072 0.536) 0.745 21.935 ( -0.090 6.656 -2.925) 7.271 22.034 ( -1.913 4.716 0.581) 5.122 22.110 ( -3.423 6.291 -0.533) 7.182 22.651 ( 4.800 -6.065 0.161) 7.737 22.777 ( 7.331 -5.207 2.949) 9.464 22.924 ( -5.886 -6.807 2.637) 9.377 23.080 ( -11.221 -3.880 -4.621) 12.741 23.495 ( 0.905 2.083 0.020) 2.271 23.535 ( -1.662 -0.967 2.241) 2.953 23.644 ( -0.683 1.463 1.963) 2.541 23.873 ( 3.599 0.015 -0.587) 3.646 23.905 ( 6.834 1.293 -6.192) 9.312 23.984 ( -3.649 -6.088 10.797) 12.921 24.447 ( -5.399 11.452 1.347) 12.733 24.827 ( -9.508 -1.234 -2.127) 9.820 25.930 ( 1.335 -0.033 -0.011) 1.336 25.960 ( 1.734 -0.717 -0.699) 2.002 25.982 ( 0.614 0.579 1.019) 1.323 26.180 ( 0.866 -3.998 -0.727) 4.155 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 27.743 0.000) 27.743 1.194 ( 0.000 29.275 0.000) 29.275 1.570 ( 0.000 -14.704 0.000) 14.704 1.666 ( 0.000 -20.631 0.000) 20.631 1.770 ( 0.000 -0.449 0.000) 0.449 1.831 ( 0.000 -6.546 0.000) 6.546 2.192 ( 0.000 25.014 0.000) 25.014 2.266 ( 0.000 0.285 0.000) 0.285 2.356 ( 0.000 13.271 0.000) 13.271 2.409 ( 0.000 2.700 0.000) 2.700 2.470 ( 0.000 10.818 0.000) 10.818 2.569 ( 0.000 0.700 0.000) 0.700 2.576 ( 0.000 -0.808 0.000) 0.808 2.635 ( 0.000 1.235 0.000) 1.235 2.678 ( 0.000 -0.139 0.000) 0.139 2.711 ( 0.000 1.651 0.000) 1.651 2.772 ( 0.000 -7.134 0.000) 7.134 3.088 ( 0.000 -2.481 0.000) 2.481 3.125 ( 0.000 3.726 0.000) 3.726 3.165 ( 0.000 0.311 0.000) 0.311 3.191 ( 0.000 5.365 0.000) 5.365 3.260 ( 0.000 -13.653 0.000) 13.653 3.275 ( 0.000 -3.109 0.000) 3.109 3.286 ( 0.000 -5.998 0.000) 5.998 3.337 ( 0.000 5.098 0.000) 5.098 3.353 ( 0.000 -1.673 0.000) 1.673 3.405 ( 0.000 -7.992 0.000) 7.992 3.426 ( 0.000 -2.598 0.000) 2.598 3.571 ( 0.000 0.985 0.000) 0.985 3.633 ( 0.000 -12.248 0.000) 12.248 3.751 ( 0.000 -0.646 0.000) 0.646 3.755 ( 0.000 -1.221 0.000) 1.221 3.876 ( 0.000 0.703 0.000) 0.703 3.897 ( 0.000 -1.641 0.000) 1.641 3.998 ( 0.000 10.789 0.000) 10.789 4.104 ( 0.000 -0.441 0.000) 0.441 4.112 ( 0.000 10.202 0.000) 10.202 4.175 ( 0.000 -0.115 0.000) 0.115 4.192 ( 0.000 -1.480 0.000) 1.480 4.310 ( 0.000 -9.489 0.000) 9.489 4.518 ( 0.000 9.929 0.000) 9.929 4.602 ( 0.000 -2.298 0.000) 2.298 4.607 ( 0.000 -0.244 0.000) 0.244 4.751 ( 0.000 -11.567 0.000) 11.567 4.933 ( 0.000 1.824 0.000) 1.824 4.958 ( 0.000 0.065 0.000) 0.065 5.050 ( 0.000 6.969 0.000) 6.969 5.145 ( 0.000 -1.125 0.000) 1.125 5.256 ( 0.000 -0.505 0.000) 0.505 5.277 ( 0.000 2.031 0.000) 2.031 5.337 ( 0.000 -2.821 0.000) 2.821 5.350 ( 0.000 -4.128 0.000) 4.128 5.605 ( 0.000 2.183 0.000) 2.183 5.667 ( 0.000 -4.523 0.000) 4.523 5.854 ( 0.000 4.792 0.000) 4.792 5.926 ( 0.000 -0.876 0.000) 0.876 6.023 ( 0.000 0.410 0.000) 0.410 6.073 ( 0.000 -3.705 0.000) 3.705 6.349 ( 0.000 4.214 0.000) 4.214 6.384 ( 0.000 0.917 0.000) 0.917 6.510 ( 0.000 -1.507 0.000) 1.507 6.511 ( 0.000 -1.251 0.000) 1.251 6.767 ( 0.000 6.394 0.000) 6.394 6.818 ( 0.000 4.985 0.000) 4.985 6.887 ( 0.000 0.688 0.000) 0.688 6.901 ( 0.000 -4.706 0.000) 4.706 7.070 ( 0.000 -3.656 0.000) 3.656 7.104 ( 0.000 -4.829 0.000) 4.829 7.177 ( 0.000 11.218 0.000) 11.218 7.392 ( 0.000 -5.439 0.000) 5.439 7.478 ( 0.000 2.019 0.000) 2.019 7.527 ( 0.000 6.175 0.000) 6.175 7.598 ( 0.000 4.648 0.000) 4.648 7.639 ( 0.000 -9.115 0.000) 9.115 7.664 ( 0.000 -3.517 0.000) 3.517 7.740 ( 0.000 -4.851 0.000) 4.851 7.930 ( 0.000 1.306 0.000) 1.306 8.006 ( 0.000 -4.800 0.000) 4.800 8.332 ( 0.000 0.034 0.000) 0.034 8.346 ( 0.000 -2.586 0.000) 2.586 8.441 ( 0.000 11.400 0.000) 11.400 8.618 ( 0.000 -3.608 0.000) 3.608 8.732 ( 0.000 -0.430 0.000) 0.430 8.764 ( 0.000 -2.259 0.000) 2.259 8.998 ( 0.000 -0.294 0.000) 0.294 9.010 ( 0.000 -1.277 0.000) 1.277 9.154 ( 0.000 4.934 0.000) 4.934 9.235 ( 0.000 -2.359 0.000) 2.359 9.388 ( 0.000 0.935 0.000) 0.935 9.425 ( 0.000 0.766 0.000) 0.766 9.472 ( 0.000 7.285 0.000) 7.285 9.526 ( 0.000 2.285 0.000) 2.285 9.626 ( 0.000 -8.484 0.000) 8.484 9.691 ( 0.000 -10.060 0.000) 10.060 9.823 ( 0.000 3.562 0.000) 3.562 9.840 ( 0.000 -0.240 0.000) 0.240 9.920 ( 0.000 3.173 0.000) 3.173 10.009 ( 0.000 -5.808 0.000) 5.808 10.090 ( 0.000 3.812 0.000) 3.812 10.135 ( 0.000 -1.705 0.000) 1.705 10.289 ( 0.000 3.397 0.000) 3.397 10.305 ( 0.000 3.535 0.000) 3.535 10.550 ( 0.000 10.124 0.000) 10.124 10.658 ( 0.000 3.488 0.000) 3.488 10.722 ( 0.000 1.204 0.000) 1.204 10.781 ( 0.000 7.715 0.000) 7.715 10.822 ( 0.000 -5.870 0.000) 5.870 10.999 ( 0.000 -10.572 0.000) 10.572 11.141 ( 0.000 4.327 0.000) 4.327 11.222 ( 0.000 -6.253 0.000) 6.253 11.343 ( 0.000 0.309 0.000) 0.309 11.368 ( 0.000 -1.468 0.000) 1.468 11.500 ( 0.000 -0.470 0.000) 0.470 11.533 ( 0.000 -4.638 0.000) 4.638 11.777 ( 0.000 5.288 0.000) 5.288 11.840 ( 0.000 4.797 0.000) 4.797 11.910 ( 0.000 -7.140 0.000) 7.140 11.948 ( 0.000 -6.003 0.000) 6.003 11.997 ( 0.000 3.732 0.000) 3.732 12.076 ( 0.000 -3.418 0.000) 3.418 12.132 ( 0.000 9.255 0.000) 9.255 12.171 ( 0.000 1.479 0.000) 1.479 12.214 ( 0.000 -1.447 0.000) 1.447 12.377 ( 0.000 -13.194 0.000) 13.194 12.554 ( 0.000 4.215 0.000) 4.215 12.635 ( 0.000 -4.491 0.000) 4.491 12.830 ( 0.000 3.922 0.000) 3.922 12.878 ( 0.000 -1.308 0.000) 1.308 12.962 ( 0.000 2.552 0.000) 2.552 12.978 ( 0.000 0.417 0.000) 0.417 13.139 ( 0.000 10.006 0.000) 10.006 13.351 ( 0.000 -12.144 0.000) 12.144 13.507 ( 0.000 -0.314 0.000) 0.314 13.524 ( 0.000 -1.781 0.000) 1.781 13.900 ( 0.000 2.943 0.000) 2.943 13.982 ( 0.000 -4.270 0.000) 4.270 14.153 ( 0.000 3.239 0.000) 3.239 14.171 ( 0.000 0.152 0.000) 0.152 14.250 ( 0.000 1.889 0.000) 1.889 14.303 ( 0.000 -3.156 0.000) 3.156 14.805 ( 0.000 1.250 0.000) 1.250 14.834 ( 0.000 -2.908 0.000) 2.908 15.129 ( 0.000 11.124 0.000) 11.124 15.307 ( 0.000 -6.330 0.000) 6.330 15.488 ( 0.000 5.136 0.000) 5.136 15.570 ( 0.000 -4.085 0.000) 4.085 15.970 ( 0.000 5.000 0.000) 5.000 16.049 ( 0.000 -3.204 0.000) 3.204 16.536 ( 0.000 3.502 0.000) 3.502 16.615 ( 0.000 -4.842 0.000) 4.842 16.913 ( 0.000 1.897 0.000) 1.897 16.946 ( 0.000 -1.562 0.000) 1.562 20.481 ( 0.000 2.694 0.000) 2.694 20.537 ( 0.000 -3.166 0.000) 3.166 20.613 ( 0.000 1.582 0.000) 1.582 20.652 ( 0.000 -2.590 0.000) 2.590 21.321 ( 0.000 4.604 0.000) 4.604 21.389 ( 0.000 -2.230 0.000) 2.230 21.457 ( 0.000 4.321 0.000) 4.321 21.531 ( 0.000 -3.376 0.000) 3.376 21.829 ( 0.000 8.368 0.000) 8.368 21.974 ( 0.000 -6.550 0.000) 6.550 22.308 ( 0.000 3.494 0.000) 3.494 22.350 ( 0.000 -0.617 0.000) 0.617 22.547 ( 0.000 3.432 0.000) 3.432 22.684 ( 0.000 -10.510 0.000) 10.510 23.317 ( 0.000 2.722 0.000) 2.722 23.372 ( 0.000 -2.433 0.000) 2.433 23.503 ( 0.000 -0.307 0.000) 0.307 23.533 ( 0.000 -2.656 0.000) 2.656 23.674 ( 0.000 0.990 0.000) 0.990 23.694 ( 0.000 -1.093 0.000) 1.093 23.941 ( 0.000 7.493 0.000) 7.493 24.077 ( 0.000 -7.268 0.000) 7.268 25.140 ( 0.000 17.834 0.000) 17.834 25.435 ( 0.000 -13.468 0.000) 13.468 25.815 ( 0.000 0.397 0.000) 0.397 25.823 ( 0.000 -0.431 0.000) 0.431 25.831 ( 0.000 0.073 0.000) 0.073 25.839 ( 0.000 -1.002 0.000) 1.002 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 6.171 18.219 -5.982) 20.145 1.275 ( 10.830 20.062 0.574) 22.806 1.523 ( -3.920 -5.866 -7.270) 10.130 1.679 ( 8.356 -12.524 1.016) 15.090 1.897 ( 2.353 -3.798 8.540) 9.638 1.951 ( 10.861 -8.396 5.183) 14.674 2.178 ( 2.206 14.425 -1.394) 14.659 2.266 ( 0.402 -1.166 -5.073) 5.221 2.471 ( 3.735 5.517 1.800) 6.901 2.491 ( 5.176 4.723 2.861) 7.569 2.546 ( 10.125 8.927 -3.746) 14.008 2.591 ( 3.847 0.073 -3.097) 4.940 2.617 ( 6.284 7.629 1.741) 10.036 2.664 ( 4.256 2.928 -0.538) 5.193 2.694 ( 3.547 -1.351 1.257) 3.998 2.798 ( 5.919 2.335 5.937) 8.703 2.845 ( 4.130 -3.446 3.251) 6.285 3.025 ( -4.198 -1.678 -1.968) 4.930 3.062 ( -3.977 1.558 -1.746) 4.614 3.101 ( -6.946 -0.485 -4.245) 8.155 3.173 ( -2.012 -0.182 0.086) 2.022 3.202 ( -3.887 3.529 -3.662) 6.401 3.241 ( -1.745 -3.812 0.531) 4.226 3.294 ( -6.460 -4.943 -2.773) 8.594 3.351 ( 3.103 -1.139 -0.796) 3.400 3.382 ( 2.154 -1.319 0.567) 2.588 3.438 ( 6.669 -1.205 3.126) 7.464 3.492 ( 4.769 -6.280 2.085) 8.156 3.598 ( 4.830 2.036 0.535) 5.268 3.706 ( 9.659 -15.506 0.933) 18.292 3.761 ( -1.835 0.183 -0.370) 1.880 3.777 ( 1.509 -0.317 -0.190) 1.553 3.900 ( -0.850 3.689 3.102) 4.895 3.951 ( 3.928 -1.759 0.642) 4.351 4.028 ( 3.574 9.666 0.066) 10.305 4.081 ( -0.870 5.202 2.059) 5.661 4.098 ( -1.712 -0.514 1.704) 2.470 4.206 ( 3.229 -3.746 -0.066) 4.946 4.239 ( 1.872 1.278 -0.978) 2.469 4.354 ( 4.437 -8.227 1.356) 9.445 4.607 ( 4.945 5.364 0.016) 7.296 4.614 ( 2.760 1.943 0.448) 3.405 4.667 ( 4.516 -2.786 0.625) 5.343 4.757 ( 0.464 -5.881 -2.906) 6.576 4.901 ( -2.561 0.513 1.348) 2.939 4.947 ( -2.842 -2.131 1.994) 4.074 5.004 ( -3.038 4.129 -2.410) 5.665 5.104 ( -3.899 -4.466 -0.753) 5.976 5.263 ( 3.867 2.474 -2.646) 5.298 5.324 ( 4.887 0.168 -3.010) 5.742 5.362 ( 4.729 0.837 0.590) 4.838 5.407 ( 5.503 -2.044 -4.749) 7.551 5.601 ( -2.234 2.960 2.855) 4.680 5.655 ( -1.138 -3.020 4.023) 5.158 5.811 ( -2.193 0.435 -4.349) 4.890 5.848 ( -4.536 -1.792 -7.196) 8.693 6.001 ( -3.803 2.628 3.843) 6.012 6.067 ( -2.859 -3.593 3.662) 5.873 6.239 ( -11.351 2.648 1.759) 11.788 6.267 ( -11.932 0.073 0.938) 11.969 6.389 ( -9.532 1.613 1.345) 9.761 6.430 ( -6.788 -2.670 0.554) 7.315 6.728 ( -6.280 4.934 0.138) 7.987 6.801 ( -5.327 -1.678 -0.968) 5.668 6.851 ( 2.136 6.584 -3.830) 7.911 6.994 ( 4.074 -5.533 -1.730) 7.086 7.013 ( -3.662 4.736 2.621) 6.536 7.103 ( -3.287 -3.772 0.798) 5.066 7.294 ( 10.476 5.137 -1.771) 11.801 7.402 ( 5.867 -0.956 -4.111) 7.227 7.507 ( 2.006 2.452 -0.030) 3.168 7.557 ( 1.490 1.889 -0.084) 2.408 7.599 ( -0.223 0.725 1.725) 1.884 7.646 ( 1.413 3.146 1.563) 3.786 7.694 ( 3.335 -6.818 -0.244) 7.594 7.725 ( -0.124 -6.164 -0.722) 6.207 7.996 ( 2.908 -1.111 0.323) 3.130 8.016 ( -2.539 -2.604 -2.215) 4.259 8.205 ( -4.463 5.593 -7.906) 10.663 8.286 ( -6.663 -3.701 0.149) 7.623 8.385 ( -2.685 4.187 7.185) 8.738 8.502 ( -5.212 -5.421 3.120) 8.141 8.660 ( -5.603 2.840 0.501) 6.302 8.716 ( -5.239 -1.842 4.510) 7.154 9.056 ( 3.353 0.979 -3.344) 4.836 9.095 ( 5.126 -3.328 -3.418) 7.002 9.190 ( 1.653 6.608 2.696) 7.326 9.277 ( 1.778 1.105 1.212) 2.419 9.320 ( -1.833 -1.131 0.234) 2.167 9.358 ( -5.362 -1.988 0.690) 5.760 9.489 ( -2.661 5.841 6.516) 9.146 9.612 ( 5.411 2.161 -1.839) 6.110 9.639 ( 0.805 -3.431 4.725) 5.895 9.674 ( -0.626 -5.995 -0.093) 6.028 9.809 ( -4.556 4.779 -5.167) 8.385 9.838 ( -2.860 1.604 -9.631) 10.174 9.909 ( 1.937 1.119 0.118) 2.241 9.932 ( -0.031 -1.875 2.648) 3.245 10.135 ( 4.512 0.351 -1.525) 4.775 10.151 ( 4.668 0.643 0.487) 4.737 10.264 ( 0.555 4.913 -3.477) 6.045 10.338 ( -1.055 -1.967 -0.360) 2.260 10.497 ( -2.662 2.829 -1.096) 4.036 10.573 ( -4.893 -3.269 -6.428) 8.715 10.719 ( -1.950 4.840 0.323) 5.228 10.770 ( 0.616 11.287 3.754) 11.911 10.848 ( 0.097 -6.736 -1.138) 6.832 10.998 ( -0.532 -8.933 -0.613) 8.970 11.154 ( 1.248 3.591 2.292) 4.439 11.256 ( 1.129 -7.245 -0.451) 7.346 11.349 ( -2.513 1.052 2.644) 3.796 11.390 ( 0.655 0.085 2.778) 2.855 11.545 ( 4.201 -0.016 -2.207) 4.745 11.594 ( 2.195 -3.469 -3.121) 5.157 11.753 ( -9.269 1.028 3.145) 9.842 11.773 ( -4.067 -1.380 3.274) 5.401 11.845 ( 0.133 5.332 1.969) 5.685 11.954 ( 1.091 -5.401 3.248) 6.396 12.030 ( 6.781 4.843 -1.863) 8.539 12.140 ( 5.391 -4.385 4.229) 8.135 12.189 ( 4.784 2.160 -0.361) 5.261 12.270 ( 5.764 -0.488 -0.271) 5.791 12.304 ( 9.396 -1.529 -3.810) 10.253 12.393 ( 1.986 -9.246 -0.561) 9.473 12.559 ( 1.466 4.209 -4.491) 6.327 12.643 ( 2.119 -4.477 -2.686) 5.635 12.839 ( 2.617 2.955 -5.206) 6.533 12.882 ( 2.738 -0.997 -9.736) 10.163 13.002 ( 5.908 3.751 -1.326) 7.123 13.046 ( 6.639 2.262 4.851) 8.528 13.297 ( 8.235 1.171 0.890) 8.366 13.433 ( 6.130 -9.930 4.680) 12.573 13.544 ( 6.280 1.302 3.190) 7.163 13.591 ( 3.006 -3.252 7.339) 8.572 13.884 ( -0.977 2.511 3.401) 4.339 13.956 ( -0.791 -3.759 -0.659) 3.898 14.171 ( 0.603 5.579 -6.165) 8.337 14.204 ( 2.070 1.934 4.123) 5.003 14.236 ( 0.587 -1.051 1.295) 1.769 14.315 ( 3.789 -8.301 -10.232) 13.710 14.779 ( -3.155 1.640 2.040) 4.099 14.813 ( -3.533 -2.397 4.511) 6.211 15.129 ( -0.161 10.759 0.062) 10.760 15.295 ( -0.767 -5.233 -1.986) 5.649 15.470 ( -2.397 4.873 1.046) 5.531 15.555 ( -1.856 -4.826 0.738) 5.223 15.962 ( -0.583 5.081 -0.658) 5.156 16.042 ( -0.665 -3.338 -0.120) 3.406 16.490 ( -5.169 3.433 1.862) 6.479 16.569 ( -5.000 -4.919 1.637) 7.203 16.854 ( -5.773 1.591 -0.243) 5.994 16.879 ( -6.127 -0.995 -0.825) 6.262 20.489 ( -0.194 2.955 0.565) 3.015 20.533 ( -1.060 0.160 2.746) 2.948 20.611 ( 0.326 -1.561 -4.564) 4.834 20.652 ( 1.965 -4.500 -2.056) 5.323 21.346 ( 2.704 6.093 -0.068) 6.667 21.435 ( 4.317 -2.855 0.424) 5.193 21.490 ( 3.493 3.748 -0.014) 5.123 21.558 ( 2.977 -3.092 0.153) 4.294 21.885 ( 4.630 9.186 2.389) 10.561 22.033 ( 4.711 -5.844 2.750) 7.994 22.268 ( -3.962 3.039 -0.986) 5.090 22.291 ( -5.041 0.629 -2.804) 5.803 22.546 ( -0.102 1.925 0.304) 1.952 22.650 ( -2.306 -8.268 -2.257) 8.875 23.210 ( -6.282 7.580 -11.726) 15.311 23.339 ( -2.573 -5.949 -5.953) 8.800 23.507 ( 1.290 1.916 -2.282) 3.247 23.551 ( 1.244 -2.677 1.501) 3.312 23.685 ( 2.126 1.886 -0.688) 2.924 23.713 ( 2.903 -1.075 -2.558) 4.016 23.833 ( -12.971 7.382 15.941) 21.837 23.979 ( -11.046 -8.338 7.627) 15.802 25.062 ( -9.026 15.610 2.221) 18.168 25.299 ( -12.202 -9.130 0.002) 15.240 25.840 ( 2.267 0.587 -0.017) 2.341 25.854 ( 2.457 -0.659 0.135) 2.547 25.875 ( 4.613 1.484 -0.048) 4.846 25.936 ( 7.501 -5.351 -0.965) 9.264 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 4.815 4.975 -5.726) 8.985 1.419 ( 5.425 -5.307 -2.656) 8.040 1.610 ( 13.352 15.769 5.754) 21.449 1.834 ( 7.902 0.136 -2.673) 8.343 1.980 ( 3.069 0.517 6.754) 7.436 2.142 ( 4.587 -10.727 -1.157) 11.724 2.246 ( 3.945 -0.160 -1.072) 4.091 2.258 ( 4.019 -0.614 -0.077) 4.066 2.492 ( 0.465 1.508 -3.066) 3.448 2.534 ( 0.436 -3.257 -0.118) 3.288 2.629 ( 1.764 2.134 -2.335) 3.621 2.663 ( 4.047 -2.471 -2.526) 5.373 2.736 ( -0.439 5.692 -2.869) 6.389 2.777 ( 2.041 5.062 -3.202) 6.328 2.805 ( -4.786 -0.947 -5.149) 7.094 2.855 ( 0.045 -0.274 0.528) 0.597 2.914 ( 2.885 2.876 1.923) 4.505 2.944 ( 1.074 0.725 -2.114) 2.480 2.970 ( -1.119 1.760 -0.251) 2.100 3.003 ( 0.487 -0.744 -1.032) 1.362 3.148 ( -0.873 -0.800 -0.429) 1.259 3.189 ( 4.035 -4.134 0.936) 5.852 3.247 ( 1.133 1.086 5.893) 6.098 3.263 ( 6.254 2.413 4.786) 8.236 3.355 ( 0.218 1.382 1.098) 1.779 3.439 ( 4.542 -4.167 -1.352) 6.311 3.572 ( 4.630 2.435 3.675) 6.394 3.583 ( 3.977 1.370 2.810) 5.058 3.680 ( -1.299 5.850 -2.444) 6.471 3.783 ( 2.722 -2.094 -1.980) 3.964 3.813 ( 11.519 4.440 -1.042) 12.389 3.859 ( -0.527 5.117 2.235) 5.608 3.958 ( 0.752 -3.594 -0.792) 3.756 3.999 ( 7.629 -10.063 -0.252) 12.631 4.075 ( -0.376 3.645 3.987) 5.415 4.129 ( 5.252 -2.332 -0.848) 5.809 4.145 ( 6.511 5.590 -0.031) 8.581 4.270 ( 2.223 5.249 4.710) 7.394 4.286 ( 3.721 -6.932 1.752) 8.060 4.391 ( -0.865 -5.952 4.450) 7.482 4.628 ( -2.953 3.468 1.773) 4.888 4.653 ( -0.135 1.052 -1.396) 1.754 4.695 ( -1.235 2.098 0.419) 2.470 4.764 ( -2.480 -4.908 -1.237) 5.636 4.831 ( -4.569 0.085 0.659) 4.617 4.871 ( -2.265 -4.260 -2.761) 5.559 4.976 ( 3.455 1.462 -0.120) 3.754 5.049 ( 0.773 -4.848 -3.302) 5.916 5.352 ( -2.238 4.935 -6.770) 8.672 5.395 ( 2.086 0.465 -7.491) 7.790 5.412 ( 4.746 2.589 -0.819) 5.467 5.481 ( 6.459 -3.244 -1.307) 7.345 5.598 ( 2.275 5.422 4.210) 7.232 5.658 ( -4.016 -0.192 -1.836) 4.420 5.766 ( 2.507 -2.673 -6.475) 7.440 5.771 ( 4.829 -3.176 -3.226) 6.619 5.923 ( -9.431 3.643 4.783) 11.184 5.975 ( -13.911 0.177 1.386) 13.981 6.011 ( -7.703 1.253 1.733) 7.994 6.056 ( -7.941 -2.351 2.326) 8.602 6.241 ( -8.024 3.476 4.126) 9.670 6.324 ( -5.676 -5.339 3.817) 8.677 6.555 ( -10.283 3.823 -2.489) 11.250 6.612 ( -12.176 -2.745 -2.049) 12.648 6.878 ( 0.180 12.148 -1.653) 12.261 6.893 ( -5.477 8.524 0.932) 10.175 7.039 ( -2.137 -6.042 -1.380) 6.556 7.081 ( 3.495 -8.206 -1.625) 9.066 7.336 ( -5.536 10.060 0.593) 11.498 7.479 ( 1.048 -0.823 -0.030) 1.333 7.516 ( -0.819 -0.855 2.239) 2.532 7.589 ( -0.896 -7.228 -0.812) 7.328 7.645 ( 1.907 5.304 -1.711) 5.891 7.675 ( 7.600 4.875 -0.991) 9.084 7.779 ( 5.909 -5.996 -1.425) 8.538 7.818 ( 6.242 -6.340 0.931) 8.946 7.963 ( 0.714 -3.192 0.101) 3.272 8.000 ( 4.487 -5.211 0.567) 6.900 8.198 ( 2.644 4.396 -1.524) 5.351 8.251 ( 2.161 -0.308 0.444) 2.228 8.388 ( -1.105 0.891 0.134) 1.426 8.458 ( -3.004 -5.866 0.148) 6.592 8.563 ( -6.200 6.200 5.483) 10.341 8.652 ( -5.694 -2.952 6.170) 8.900 9.074 ( 0.083 5.956 -5.203) 7.909 9.123 ( 0.719 -0.907 -0.889) 1.460 9.153 ( -0.118 0.503 -4.184) 4.216 9.242 ( -4.468 -5.255 -1.129) 6.989 9.353 ( 3.777 3.406 3.925) 6.424 9.390 ( 2.053 -0.513 3.037) 3.702 9.472 ( -2.145 5.568 2.560) 6.493 9.552 ( -4.917 -1.954 -3.486) 6.336 9.632 ( -2.941 3.925 0.117) 4.906 9.712 ( 1.549 3.034 0.464) 3.438 9.726 ( -1.141 -1.486 -7.735) 7.959 9.787 ( 4.823 -5.542 4.368) 8.548 9.979 ( 3.863 1.966 -1.240) 4.508 10.004 ( 4.082 0.863 0.454) 4.197 10.161 ( -2.193 4.790 -3.736) 6.459 10.219 ( 0.223 -0.221 -0.566) 0.647 10.252 ( -0.266 2.685 2.548) 3.711 10.279 ( -3.496 -0.389 0.427) 3.544 10.469 ( -0.086 -0.729 -4.419) 4.479 10.540 ( 6.608 -6.118 -1.597) 9.146 10.678 ( -0.413 3.407 -0.713) 3.506 10.809 ( -0.018 10.435 3.234) 10.924 10.825 ( -0.389 -7.503 -0.717) 7.547 10.971 ( -2.876 -3.341 1.061) 4.535 11.168 ( -1.600 0.794 -3.273) 3.728 11.210 ( -6.431 -4.060 -0.259) 7.609 11.277 ( -7.541 1.713 4.847) 9.126 11.348 ( -3.431 -4.245 2.805) 6.137 11.550 ( -3.558 -0.325 0.258) 3.582 11.573 ( -2.281 -2.924 -3.758) 5.280 11.642 ( -0.546 7.830 4.850) 9.226 11.786 ( 0.794 -7.753 3.262) 8.448 11.884 ( 2.371 9.374 0.987) 9.720 12.033 ( 5.058 -2.986 -0.506) 5.895 12.141 ( 4.007 0.912 -3.223) 5.223 12.251 ( 1.789 -7.629 -3.199) 8.463 12.353 ( 12.083 -2.733 -0.763) 12.411 12.369 ( 8.917 -3.556 1.923) 9.790 12.437 ( 7.509 1.928 3.241) 8.403 12.454 ( 1.296 1.536 1.888) 2.757 12.578 ( 4.368 3.081 -3.184) 6.222 12.673 ( 3.190 -5.967 -3.033) 7.415 12.834 ( -1.049 1.313 -3.119) 3.543 12.861 ( -0.408 -1.702 0.661) 1.871 13.140 ( 10.111 7.773 -6.226) 14.192 13.227 ( 6.086 10.009 -3.068) 12.109 13.353 ( 4.883 -6.502 -4.017) 9.070 13.511 ( -0.220 -11.334 -2.276) 11.562 13.684 ( 3.268 0.426 4.212) 5.349 13.718 ( 6.737 -2.831 -0.735) 7.345 13.987 ( 5.380 4.970 -3.514) 8.124 14.007 ( 6.460 1.457 10.025) 12.014 14.133 ( -3.130 1.228 2.651) 4.282 14.237 ( -0.952 -2.665 3.735) 4.686 14.256 ( 3.020 -1.216 -0.478) 3.290 14.356 ( 4.833 -9.939 0.397) 11.059 14.729 ( -2.291 3.561 0.012) 4.235 14.785 ( -1.868 -2.618 2.984) 4.387 15.113 ( -1.434 9.611 -1.238) 9.796 15.241 ( -3.237 -2.509 -3.599) 5.452 15.414 ( -4.039 4.562 0.873) 6.155 15.514 ( -2.989 -6.598 0.650) 7.273 15.944 ( -0.644 4.849 -0.961) 4.985 16.024 ( -1.048 -3.491 -0.403) 3.667 16.396 ( -5.730 3.445 2.617) 7.180 16.480 ( -5.208 -5.523 2.266) 7.922 16.725 ( -6.992 1.265 -0.387) 7.116 16.744 ( -6.974 -0.682 -1.034) 7.083 20.464 ( -1.658 3.279 -0.806) 3.762 20.535 ( -1.484 -3.451 1.524) 4.054 20.585 ( 0.925 2.949 -3.085) 4.366 20.689 ( 2.277 -7.513 -1.110) 7.929 21.418 ( 4.980 7.676 -0.616) 9.171 21.532 ( 5.421 -4.249 -0.414) 6.900 21.570 ( 4.924 5.002 -0.384) 7.030 21.649 ( 6.264 -2.778 1.226) 6.961 21.998 ( 3.734 10.833 3.573) 12.003 22.133 ( -0.155 0.836 -1.554) 1.771 22.156 ( -6.057 1.719 -1.699) 6.522 22.173 ( -0.577 -1.893 -0.597) 2.067 22.549 ( 0.067 -0.527 0.184) 0.563 22.601 ( -1.167 -5.797 -0.303) 5.921 23.003 ( -7.958 7.642 -6.307) 12.709 23.186 ( -8.148 -9.645 -9.274) 15.666 23.516 ( 0.734 2.114 -1.431) 2.656 23.554 ( -1.459 -1.927 -0.541) 2.477 23.720 ( -5.995 5.705 12.281) 14.809 23.780 ( 8.083 1.588 0.193) 8.240 23.807 ( 6.217 -0.529 -3.681) 7.245 23.856 ( -8.563 -7.726 14.055) 18.181 24.857 ( -13.358 12.298 1.519) 18.221 25.032 ( -15.316 -6.389 -0.864) 16.618 25.890 ( 2.777 0.444 -0.038) 2.813 25.905 ( 2.536 -1.042 0.261) 2.754 25.962 ( 4.201 2.855 -0.078) 5.080 26.043 ( 4.490 -5.702 -0.951) 7.320 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 1.128 6.229 -2.358) 6.756 1.472 ( 0.417 -8.224 0.191) 8.237 1.887 ( 9.875 6.807 2.346) 12.221 1.944 ( 5.037 1.875 -1.775) 5.661 2.111 ( 5.207 1.179 4.530) 7.002 2.179 ( 3.416 -5.580 -1.125) 6.639 2.274 ( 1.330 5.198 2.929) 6.113 2.384 ( 3.916 -6.923 3.927) 8.870 2.438 ( -6.200 2.686 -5.481) 8.700 2.500 ( -3.505 -4.448 -3.025) 6.420 2.530 ( -7.680 5.695 -5.063) 10.819 2.598 ( -0.854 -1.618 -3.223) 3.706 2.689 ( 0.797 -1.587 1.294) 2.197 2.705 ( -0.894 -2.336 -0.264) 2.515 2.752 ( -4.139 -0.938 -4.417) 6.125 2.756 ( -3.291 -2.132 -3.084) 4.989 2.963 ( 2.358 1.732 1.377) 3.234 2.985 ( 3.390 0.836 -1.048) 3.645 3.047 ( 3.961 0.465 -1.356) 4.212 3.064 ( 5.983 -0.774 -1.055) 6.124 3.156 ( -3.130 0.707 0.840) 3.317 3.180 ( -4.666 -2.055 2.688) 5.764 3.319 ( 2.259 0.466 1.857) 2.961 3.350 ( 1.153 -1.975 5.050) 5.544 3.459 ( 4.231 3.307 -3.420) 6.366 3.517 ( 1.850 -2.358 0.672) 3.071 3.649 ( 2.925 1.340 3.955) 5.099 3.681 ( 2.834 -1.027 3.812) 4.860 3.773 ( 8.077 6.554 -1.291) 10.481 3.816 ( 1.721 1.204 0.171) 2.107 3.863 ( 2.371 5.209 -0.888) 5.792 3.909 ( -0.639 -1.274 -1.327) 1.947 3.985 ( 3.520 7.856 1.363) 8.716 4.027 ( -1.923 6.179 0.240) 6.476 4.116 ( 1.570 -1.750 -2.013) 3.095 4.187 ( 2.348 -6.015 -0.284) 6.464 4.249 ( 2.522 3.161 2.686) 4.854 4.314 ( -1.146 -2.074 -3.231) 4.007 4.403 ( 1.585 2.899 4.707) 5.751 4.458 ( 4.744 -2.505 1.996) 5.724 4.527 ( -6.035 1.900 -1.384) 6.476 4.558 ( -6.419 -1.313 -0.118) 6.553 4.693 ( 4.293 5.748 5.344) 8.945 4.781 ( 3.745 -4.508 3.014) 6.590 4.797 ( -0.793 -2.215 0.427) 2.391 4.866 ( 3.146 -7.210 0.908) 7.919 5.076 ( 4.405 -0.361 -0.927) 4.516 5.104 ( 1.146 -1.979 -4.342) 4.908 5.142 ( -5.482 5.975 -7.808) 11.257 5.237 ( -7.470 -3.628 -5.563) 9.995 5.538 ( 2.997 3.948 0.295) 4.965 5.566 ( -1.085 0.737 2.638) 2.946 5.599 ( 2.319 4.738 -0.003) 5.275 5.655 ( -2.945 1.572 -3.284) 4.684 5.691 ( -6.365 0.240 4.065) 7.556 5.725 ( -5.377 -0.637 -4.346) 6.944 5.832 ( 4.138 -0.381 -3.439) 5.394 5.858 ( -0.414 -2.127 -0.298) 2.187 5.966 ( -5.068 2.582 2.510) 6.218 6.021 ( 6.159 -0.713 0.190) 6.203 6.188 ( 1.013 3.162 5.694) 6.591 6.268 ( -5.083 -4.294 5.460) 8.607 6.337 ( -9.674 3.708 -3.735) 11.013 6.392 ( -7.452 -2.276 -2.575) 8.206 6.799 ( -2.837 15.450 -0.515) 15.716 6.879 ( -0.095 9.870 -0.156) 9.872 7.014 ( -0.194 -9.581 -0.715) 9.610 7.146 ( 4.238 -13.227 0.270) 13.892 7.266 ( -1.566 3.396 -0.096) 3.740 7.380 ( -8.050 -8.482 -0.624) 11.711 7.525 ( 0.135 0.599 0.515) 0.802 7.534 ( -1.019 -0.826 -0.375) 1.365 7.701 ( 2.393 1.577 -0.349) 2.887 7.755 ( 1.390 -3.055 -1.082) 3.527 7.890 ( 6.868 1.101 1.662) 7.151 7.946 ( 4.495 -3.949 0.723) 6.027 8.044 ( 2.162 1.783 1.621) 3.237 8.092 ( 2.186 -2.706 -1.540) 3.804 8.226 ( 2.572 3.816 -1.706) 4.908 8.293 ( -0.251 -2.336 -2.125) 3.168 8.349 ( 1.024 2.560 0.460) 2.795 8.418 ( -2.752 -4.274 2.546) 5.686 8.508 ( -2.548 4.286 2.498) 5.577 8.580 ( -4.071 -2.752 2.462) 5.496 9.016 ( -1.601 9.206 -2.311) 9.626 9.136 ( -0.571 -4.959 -0.185) 4.996 9.160 ( 1.612 -0.242 0.116) 1.634 9.184 ( 0.375 -2.554 -3.046) 3.993 9.343 ( -3.481 4.816 0.430) 5.958 9.426 ( -1.191 -2.737 2.590) 3.952 9.482 ( 1.454 4.081 -1.179) 4.490 9.520 ( 2.584 3.775 0.294) 4.584 9.603 ( -0.517 -0.756 -1.045) 1.390 9.674 ( -0.320 -2.906 -2.537) 3.872 9.797 ( 3.438 4.184 3.666) 6.540 9.870 ( 1.654 -4.332 1.707) 4.941 10.008 ( 0.386 0.960 -2.732) 2.921 10.046 ( 1.225 0.177 -1.398) 1.867 10.091 ( -2.061 3.448 -1.169) 4.183 10.143 ( -4.150 0.566 -0.864) 4.276 10.229 ( -1.093 -0.521 1.334) 1.801 10.267 ( -0.936 -3.476 -0.294) 3.612 10.524 ( 4.838 3.849 -0.395) 6.195 10.653 ( 3.291 -8.690 0.821) 9.329 10.707 ( 4.314 8.254 -0.224) 9.317 10.813 ( -1.201 8.025 3.561) 8.861 10.842 ( 1.314 -4.710 0.115) 4.891 10.921 ( -0.937 -4.174 -1.651) 4.585 10.999 ( -10.867 -0.185 -2.202) 11.090 11.084 ( -3.144 -3.747 -2.256) 5.387 11.248 ( -0.706 1.733 1.920) 2.681 11.333 ( -0.270 -6.904 3.650) 7.814 11.448 ( -4.863 3.828 -1.326) 6.329 11.550 ( 0.138 -4.979 0.037) 4.981 11.674 ( -0.511 7.829 3.945) 8.782 11.825 ( 1.171 -8.237 1.257) 8.414 11.922 ( 1.841 12.513 -1.451) 12.731 12.088 ( 1.198 3.014 -1.382) 3.526 12.181 ( 1.472 -8.304 1.069) 8.501 12.215 ( -0.248 -8.635 -4.494) 9.738 12.442 ( -0.488 5.435 0.094) 5.458 12.519 ( 3.749 -2.255 0.882) 4.463 12.580 ( 7.594 -0.297 1.317) 7.713 12.603 ( 6.561 -2.599 1.590) 7.234 12.650 ( 3.403 1.662 -0.929) 3.899 12.711 ( 1.702 -4.847 -1.507) 5.354 12.782 ( -2.566 4.139 0.202) 4.874 12.871 ( -0.108 -4.043 2.178) 4.594 13.184 ( -2.297 13.493 -4.045) 14.272 13.251 ( 3.993 9.907 -2.812) 11.045 13.441 ( -2.854 -13.015 -2.426) 13.543 13.458 ( 3.464 -12.367 -0.789) 12.867 13.781 ( 5.511 0.034 -1.684) 5.763 13.818 ( 5.568 -2.630 -2.546) 6.663 13.977 ( -1.373 5.446 0.651) 5.654 14.047 ( -4.051 -1.882 -3.010) 5.386 14.181 ( 0.655 3.791 2.643) 4.668 14.235 ( -2.438 -2.251 6.106) 6.949 14.323 ( 3.951 6.335 3.439) 8.220 14.530 ( 6.403 -11.712 7.232) 15.181 14.717 ( 1.347 2.910 -0.008) 3.206 14.775 ( 0.292 -2.716 -3.223) 4.225 15.061 ( -2.520 8.363 -1.707) 8.900 15.146 ( -3.516 0.013 -2.154) 4.124 15.353 ( -2.238 4.527 0.353) 5.062 15.467 ( -1.732 -7.683 0.012) 7.876 15.929 ( -0.347 4.357 -0.484) 4.398 16.004 ( -0.619 -3.496 -0.279) 3.561 16.332 ( -2.256 3.546 1.271) 4.391 16.423 ( -1.990 -6.125 1.062) 6.527 16.623 ( -3.057 1.107 -0.156) 3.255 16.639 ( -3.052 -0.583 -0.522) 3.150 20.436 ( -0.627 2.713 -0.481) 2.826 20.507 ( -0.915 -5.191 -0.492) 5.294 20.595 ( 0.569 4.954 -0.177) 4.990 20.712 ( 0.684 -7.866 -0.258) 7.899 21.499 ( 3.159 7.610 -0.526) 8.257 21.603 ( 2.374 -4.267 -0.976) 4.980 21.657 ( 3.364 9.208 0.739) 9.831 21.784 ( 6.377 -3.981 1.515) 7.669 21.968 ( -3.964 4.339 -0.940) 5.951 22.001 ( -6.932 1.147 -1.994) 7.304 22.168 ( 4.249 7.082 1.520) 8.397 22.222 ( 0.412 3.364 -0.326) 3.405 22.547 ( -0.048 -2.919 0.139) 2.922 22.616 ( 1.392 -9.229 1.352) 9.431 22.877 ( -1.971 1.872 -0.564) 2.776 22.970 ( -7.967 -6.898 -5.448) 11.863 23.516 ( 0.466 0.385 -1.411) 1.535 23.524 ( -1.458 -0.445 1.071) 1.863 23.705 ( -1.602 4.906 3.971) 6.512 23.807 ( -1.697 -5.672 2.162) 6.303 23.930 ( 6.077 1.154 -1.243) 6.309 23.942 ( 4.913 -0.199 3.995) 6.335 24.646 ( -7.895 9.290 0.343) 12.197 24.776 ( -9.245 -4.713 -1.035) 10.428 25.930 ( 1.261 0.195 -0.056) 1.277 25.941 ( 1.009 -1.000 0.151) 1.428 26.016 ( 1.523 3.107 -0.030) 3.460 26.093 ( 1.417 -4.893 -0.347) 5.105 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( -2.867 0.000 29.460) 29.599 0.621 ( 1.391 0.000 32.152) 32.182 0.871 ( 3.719 0.000 40.136) 40.308 1.658 ( -8.111 0.000 -10.296) 13.107 1.792 ( -0.866 0.000 2.048) 2.223 1.870 ( 4.331 0.000 -13.095) 13.793 2.212 ( 3.541 0.000 7.840) 8.603 2.219 ( -0.580 0.000 -9.151) 9.169 2.318 ( -4.491 0.000 -1.829) 4.849 2.325 ( -3.782 0.000 0.512) 3.817 2.498 ( 3.529 0.000 0.287) 3.540 2.581 ( 2.958 0.000 -4.885) 5.711 2.598 ( 0.795 0.000 1.630) 1.814 2.621 ( -0.832 0.000 5.938) 5.996 2.759 ( 0.214 0.000 1.172) 1.192 2.785 ( -0.971 0.000 1.269) 1.598 2.829 ( 2.009 0.000 -1.237) 2.359 2.895 ( -3.804 0.000 -3.549) 5.203 3.007 ( -3.823 0.000 -2.779) 4.727 3.041 ( -0.627 0.000 -3.737) 3.789 3.056 ( -0.776 0.000 -4.537) 4.603 3.172 ( 1.610 0.000 3.604) 3.947 3.293 ( -0.887 0.000 -1.354) 1.619 3.410 ( 0.241 0.000 2.087) 2.100 3.414 ( 2.044 0.000 1.643) 2.623 3.432 ( 0.642 0.000 1.653) 1.773 3.467 ( 1.520 0.000 2.173) 2.651 3.566 ( 0.545 0.000 2.686) 2.741 3.610 ( 4.258 0.000 -2.909) 5.156 3.631 ( 2.599 0.000 -4.616) 5.298 3.767 ( -12.895 0.000 -3.819) 13.449 3.794 ( -1.442 0.000 -2.738) 3.095 3.885 ( -6.230 0.000 1.198) 6.344 3.897 ( 3.596 0.000 -2.472) 4.364 3.902 ( 12.149 0.000 -4.671) 13.016 3.957 ( 5.521 0.000 0.699) 5.565 4.212 ( -11.003 0.000 1.123) 11.060 4.274 ( -4.454 0.000 -4.453) 6.298 4.316 ( 8.574 0.000 1.945) 8.792 4.466 ( -2.869 0.000 2.619) 3.885 4.562 ( 0.005 0.000 5.355) 5.355 4.724 ( -3.254 0.000 -2.486) 4.095 4.781 ( -1.348 0.000 -2.612) 2.939 4.811 ( 11.223 0.000 0.164) 11.224 4.892 ( -1.950 0.000 3.080) 3.645 4.940 ( -0.456 0.000 -5.297) 5.316 4.974 ( -2.130 0.000 2.404) 3.213 5.047 ( -0.374 0.000 0.668) 0.765 5.213 ( 1.698 0.000 -1.259) 2.114 5.269 ( -0.321 0.000 1.104) 1.149 5.411 ( 1.779 0.000 1.612) 2.401 5.426 ( -4.480 0.000 -3.276) 5.550 5.587 ( 3.809 0.000 2.405) 4.505 5.733 ( -1.137 0.000 -0.377) 1.197 5.867 ( 8.494 0.000 2.820) 8.950 5.972 ( -2.432 0.000 -1.128) 2.681 6.081 ( 0.988 0.000 -1.481) 1.780 6.232 ( 1.240 0.000 3.776) 3.975 6.281 ( -0.958 0.000 -0.135) 0.968 6.336 ( 1.316 0.000 4.001) 4.212 6.430 ( 7.860 0.000 -5.796) 9.766 6.534 ( -3.191 0.000 -2.332) 3.952 6.650 ( -12.170 0.000 -0.112) 12.171 6.705 ( -3.433 0.000 -4.498) 5.658 6.791 ( 6.658 0.000 1.207) 6.767 6.824 ( -4.011 0.000 -0.080) 4.012 7.003 ( 1.636 0.000 -0.641) 1.757 7.158 ( 7.183 0.000 -5.624) 9.123 7.238 ( 8.626 0.000 1.277) 8.720 7.265 ( -5.620 0.000 3.521) 6.632 7.297 ( -2.446 0.000 -3.015) 3.882 7.475 ( -5.629 0.000 7.946) 9.738 7.505 ( -3.817 0.000 -1.562) 4.124 7.689 ( -2.103 0.000 0.537) 2.171 7.791 ( -11.181 0.000 5.800) 12.596 7.932 ( 1.534 0.000 -1.209) 1.953 8.014 ( 10.490 0.000 -0.104) 10.491 8.134 ( 0.405 0.000 1.745) 1.792 8.236 ( 2.271 0.000 3.610) 4.265 8.363 ( -3.780 0.000 -10.310) 10.981 8.432 ( 2.020 0.000 7.366) 7.638 8.539 ( -0.731 0.000 1.431) 1.607 8.654 ( -0.153 0.000 2.274) 2.280 8.822 ( 7.881 0.000 -1.754) 8.073 9.046 ( 6.543 0.000 5.295) 8.417 9.065 ( -12.999 0.000 -3.390) 13.434 9.149 ( -7.190 0.000 -1.351) 7.316 9.216 ( -1.471 0.000 5.778) 5.962 9.300 ( -6.000 0.000 0.712) 6.042 9.391 ( 7.925 0.000 -1.788) 8.124 9.436 ( 4.047 0.000 -1.496) 4.315 9.508 ( 11.684 0.000 -4.514) 12.526 9.660 ( -3.721 0.000 -9.832) 10.513 9.695 ( 1.835 0.000 13.751) 13.873 9.813 ( -0.626 0.000 -3.595) 3.649 9.824 ( -8.984 0.000 -6.158) 10.892 9.950 ( -1.934 0.000 -1.489) 2.441 9.985 ( -2.322 0.000 -8.119) 8.445 10.098 ( -24.498 0.000 3.121) 24.696 10.168 ( 3.498 0.000 -1.229) 3.708 10.234 ( 6.904 0.000 1.065) 6.985 10.237 ( 0.253 0.000 11.576) 11.579 10.440 ( 19.281 0.000 7.909) 20.840 10.632 ( -4.533 0.000 0.128) 4.534 10.658 ( -8.034 0.000 -4.227) 9.078 10.807 ( -7.228 0.000 -6.160) 9.496 11.015 ( -3.683 0.000 -5.207) 6.378 11.077 ( 0.764 0.000 4.285) 4.353 11.143 ( -0.476 0.000 -2.046) 2.101 11.262 ( -2.894 0.000 1.539) 3.278 11.464 ( 18.613 0.000 -2.908) 18.839 11.490 ( 6.084 0.000 3.849) 7.200 11.524 ( -0.861 0.000 8.195) 8.240 11.568 ( 1.486 0.000 1.664) 2.230 11.667 ( 5.688 0.000 -4.346) 7.158 11.747 ( 4.661 0.000 0.375) 4.676 11.873 ( -3.800 0.000 -1.663) 4.148 11.894 ( -2.663 0.000 -0.001) 2.663 11.966 ( -4.197 0.000 -4.165) 5.913 12.060 ( 4.262 0.000 -5.699) 7.116 12.096 ( 0.919 0.000 6.636) 6.699 12.154 ( 5.094 0.000 6.005) 7.874 12.290 ( 1.700 0.000 -1.580) 2.321 12.291 ( -3.241 0.000 6.429) 7.200 12.537 ( -1.613 0.000 -0.041) 1.613 12.539 ( -4.506 0.000 1.842) 4.868 12.715 ( 0.915 0.000 -4.647) 4.737 12.722 ( 1.582 0.000 -0.831) 1.787 12.784 ( -3.210 0.000 -9.995) 10.498 12.884 ( -2.193 0.000 -3.332) 3.989 13.350 ( 2.813 0.000 -8.272) 8.737 13.623 ( 2.707 0.000 6.681) 7.208 13.653 ( 9.298 0.000 2.036) 9.518 13.680 ( 1.799 0.000 4.125) 4.500 13.839 ( 4.426 0.000 -16.954) 17.522 13.936 ( -0.548 0.000 3.608) 3.649 13.973 ( 1.307 0.000 -3.592) 3.822 14.024 ( -4.175 0.000 -4.678) 6.270 14.183 ( 2.030 0.000 5.606) 5.962 14.348 ( -1.989 0.000 3.710) 4.209 14.801 ( -5.285 0.000 5.126) 7.362 14.908 ( -0.795 0.000 -1.430) 1.636 15.107 ( -0.680 0.000 6.167) 6.205 15.256 ( -0.866 0.000 3.018) 3.140 15.709 ( 0.755 0.000 -3.810) 3.885 15.740 ( 0.092 0.000 -1.984) 1.986 16.047 ( -9.583 0.000 1.734) 9.739 16.084 ( 1.687 0.000 -0.828) 1.879 16.526 ( 0.662 0.000 4.283) 4.334 16.759 ( 0.658 0.000 1.976) 2.083 16.825 ( 0.311 0.000 -3.690) 3.703 16.897 ( -0.155 0.000 -0.407) 0.436 20.391 ( -0.804 0.000 0.107) 0.811 20.420 ( 1.358 0.000 -0.777) 1.564 20.630 ( -8.124 0.000 0.202) 8.126 20.713 ( -1.335 0.000 -1.814) 2.252 21.224 ( -0.213 0.000 2.467) 2.476 21.345 ( -0.131 0.000 -0.912) 0.921 21.364 ( -0.740 0.000 0.956) 1.209 21.473 ( 0.165 0.000 -1.989) 1.996 21.622 ( -1.739 0.000 3.228) 3.666 21.807 ( 0.065 0.000 -1.383) 1.385 22.163 ( 1.449 0.000 1.883) 2.375 22.203 ( 1.302 0.000 1.971) 2.362 22.485 ( -1.037 0.000 2.760) 2.948 22.558 ( 1.367 0.000 0.719) 1.544 23.359 ( 3.845 0.000 1.065) 3.990 23.378 ( 0.980 0.000 0.002) 0.980 23.466 ( 2.729 0.000 -1.972) 3.367 23.616 ( 1.430 0.000 -2.445) 2.833 23.633 ( -3.428 0.000 -4.456) 5.623 23.706 ( -1.010 0.000 -2.992) 3.158 24.112 ( 0.398 0.000 8.504) 8.513 24.544 ( 0.339 0.000 -3.542) 3.559 25.364 ( 25.995 0.000 0.922) 26.012 25.451 ( -1.907 0.000 -1.082) 2.192 25.808 ( 0.159 0.000 0.083) 0.179 25.824 ( -1.197 0.000 -0.556) 1.320 25.848 ( 2.638 0.000 0.524) 2.689 25.865 ( -20.534 0.000 -0.092) 20.534 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 13.920 0.000 16.453) 21.551 1.033 ( 18.809 0.000 21.222) 28.358 1.393 ( -9.650 0.000 -8.372) 12.775 1.632 ( 37.797 0.000 20.270) 42.889 1.796 ( -0.455 0.000 3.795) 3.822 1.984 ( 10.479 0.000 -5.636) 11.899 2.158 ( 4.252 0.000 -17.664) 18.168 2.242 ( -1.290 0.000 0.860) 1.550 2.325 ( 3.999 0.000 -3.096) 5.057 2.338 ( 3.624 0.000 5.929) 6.949 2.578 ( 5.745 0.000 -3.028) 6.494 2.602 ( 1.279 0.000 10.810) 10.886 2.625 ( 3.085 0.000 -6.033) 6.777 2.741 ( -1.731 0.000 -0.533) 1.811 2.753 ( -1.394 0.000 -2.221) 2.622 2.789 ( 7.703 0.000 3.656) 8.526 2.855 ( -1.370 0.000 1.465) 2.006 2.895 ( 4.935 0.000 0.313) 4.945 2.971 ( 1.277 0.000 -1.787) 2.196 2.998 ( 2.033 0.000 -3.328) 3.900 3.037 ( -0.990 0.000 0.533) 1.125 3.233 ( 0.944 0.000 4.235) 4.338 3.287 ( -3.319 0.000 -3.032) 4.496 3.361 ( 2.502 0.000 -3.025) 3.926 3.437 ( -5.831 0.000 -0.817) 5.887 3.469 ( -2.449 0.000 3.876) 4.585 3.477 ( 1.233 0.000 3.165) 3.397 3.515 ( 2.680 0.000 -3.729) 4.592 3.588 ( -3.593 0.000 1.639) 3.949 3.663 ( 3.883 0.000 -6.174) 7.293 3.706 ( 6.093 0.000 -0.821) 6.148 3.732 ( -8.811 0.000 -1.552) 8.947 3.761 ( 0.638 0.000 -1.490) 1.620 3.998 ( 3.763 0.000 1.183) 3.944 4.011 ( 8.162 0.000 -2.436) 8.517 4.057 ( 3.308 0.000 -0.464) 3.340 4.124 ( -4.942 0.000 -4.417) 6.628 4.256 ( 3.082 0.000 3.215) 4.454 4.462 ( -2.342 0.000 2.743) 3.607 4.466 ( 5.674 0.000 -1.534) 5.878 4.619 ( 0.146 0.000 -9.271) 9.272 4.642 ( 2.163 0.000 3.680) 4.269 4.693 ( -6.095 0.000 1.586) 6.298 4.859 ( -3.738 0.000 2.933) 4.752 4.918 ( 7.687 0.000 -7.516) 10.751 4.983 ( -0.091 0.000 3.740) 3.741 5.058 ( 10.282 0.000 -2.646) 10.617 5.078 ( 0.698 0.000 0.025) 0.698 5.257 ( -2.267 0.000 0.180) 2.274 5.262 ( 6.183 0.000 -1.169) 6.293 5.369 ( -0.251 0.000 2.419) 2.432 5.383 ( -6.543 0.000 0.991) 6.618 5.603 ( -8.175 0.000 -4.326) 9.249 5.680 ( 1.962 0.000 4.938) 5.313 5.778 ( -13.264 0.000 -5.692) 14.434 5.969 ( 1.260 0.000 -2.508) 2.806 6.063 ( -4.086 0.000 -1.094) 4.229 6.167 ( -10.028 0.000 0.724) 10.054 6.221 ( -5.558 0.000 1.852) 5.858 6.278 ( -8.437 0.000 0.268) 8.441 6.346 ( -6.907 0.000 -0.213) 6.911 6.353 ( -10.999 0.000 0.783) 11.027 6.571 ( 2.642 0.000 -2.990) 3.990 6.657 ( -6.442 0.000 4.364) 7.781 6.791 ( -2.913 0.000 0.434) 2.945 6.947 ( 3.759 0.000 -0.008) 3.759 7.016 ( 5.022 0.000 -5.394) 7.370 7.105 ( -13.204 0.000 -0.800) 13.228 7.188 ( -2.719 0.000 -2.926) 3.994 7.204 ( -1.700 0.000 2.774) 3.254 7.326 ( 5.936 0.000 1.741) 6.186 7.410 ( 8.133 0.000 2.401) 8.480 7.649 ( 4.693 0.000 3.652) 5.947 7.690 ( 2.117 0.000 1.969) 2.892 7.776 ( 7.675 0.000 -0.452) 7.688 7.991 ( 4.397 0.000 3.025) 5.337 8.117 ( -1.984 0.000 -9.953) 10.149 8.178 ( 4.902 0.000 4.172) 6.437 8.191 ( -7.342 0.000 -4.332) 8.524 8.272 ( -0.539 0.000 7.799) 7.818 8.487 ( -5.971 0.000 4.093) 7.239 8.489 ( -1.038 0.000 8.070) 8.136 8.667 ( 0.053 0.000 2.330) 2.331 8.786 ( -5.794 0.000 2.353) 6.254 8.988 ( -8.756 0.000 -0.250) 8.760 9.048 ( 6.416 0.000 1.520) 6.594 9.180 ( -2.290 0.000 -4.263) 4.839 9.215 ( 0.501 0.000 1.046) 1.160 9.252 ( 9.101 0.000 7.523) 11.808 9.447 ( -6.648 0.000 0.836) 6.700 9.517 ( -4.603 0.000 -2.175) 5.091 9.541 ( 3.905 0.000 -0.735) 3.974 9.601 ( 1.933 0.000 1.434) 2.407 9.616 ( -11.994 0.000 -7.028) 13.902 9.629 ( -1.790 0.000 -1.448) 2.302 9.824 ( -2.462 0.000 -7.171) 7.582 9.880 ( 7.908 0.000 5.288) 9.513 9.955 ( 1.209 0.000 5.966) 6.087 9.956 ( 0.901 0.000 0.413) 0.991 10.194 ( 0.119 0.000 -3.623) 3.625 10.297 ( -1.121 0.000 7.316) 7.402 10.372 ( 4.980 0.000 2.323) 5.495 10.512 ( -6.170 0.000 -1.901) 6.456 10.526 ( -3.128 0.000 8.231) 8.805 10.562 ( 3.064 0.000 -5.868) 6.620 10.625 ( -4.924 0.000 -5.382) 7.295 10.955 ( 0.715 0.000 -4.100) 4.162 11.087 ( -2.602 0.000 0.530) 2.656 11.297 ( 1.191 0.000 2.367) 2.650 11.310 ( -0.237 0.000 2.829) 2.839 11.447 ( -9.676 0.000 5.981) 11.375 11.502 ( 2.010 0.000 -5.948) 6.279 11.547 ( -4.480 0.000 2.355) 5.062 11.644 ( 0.079 0.000 -4.764) 4.765 11.712 ( -1.236 0.000 -1.780) 2.167 11.808 ( -5.237 0.000 -0.483) 5.259 11.909 ( 4.442 0.000 -6.556) 7.919 11.963 ( 14.668 0.000 5.610) 15.704 12.003 ( 1.869 0.000 -4.062) 4.471 12.214 ( 6.182 0.000 1.815) 6.443 12.221 ( 14.422 0.000 -10.229) 17.681 12.290 ( 8.577 0.000 9.458) 12.768 12.367 ( 6.533 0.000 -2.891) 7.144 12.481 ( 3.997 0.000 -8.910) 9.765 12.526 ( 7.635 0.000 8.971) 11.780 12.546 ( 9.410 0.000 -1.741) 9.570 12.662 ( -2.478 0.000 -10.168) 10.466 12.737 ( 4.052 0.000 -2.502) 4.762 12.770 ( 4.217 0.000 -0.913) 4.314 12.861 ( 3.048 0.000 -6.461) 7.144 13.401 ( 7.744 0.000 -4.024) 8.727 13.708 ( -0.660 0.000 2.979) 3.051 13.753 ( 4.675 0.000 -0.037) 4.675 13.794 ( 4.858 0.000 -0.036) 4.858 13.856 ( -5.843 0.000 -1.056) 5.937 13.905 ( 11.897 0.000 -20.392) 23.608 14.012 ( 1.916 0.000 -1.636) 2.519 14.061 ( 8.260 0.000 -5.331) 9.831 14.291 ( 4.906 0.000 5.067) 7.053 14.428 ( 9.168 0.000 0.975) 9.220 14.741 ( -5.119 0.000 7.487) 9.070 14.860 ( -3.407 0.000 -1.820) 3.862 15.087 ( -5.277 0.000 6.743) 8.562 15.226 ( -3.923 0.000 0.991) 4.047 15.645 ( -6.742 0.000 -0.262) 6.748 15.723 ( -0.708 0.000 -1.841) 1.972 15.870 ( -8.291 0.000 6.285) 10.404 16.099 ( 0.094 0.000 0.137) 0.166 16.504 ( -5.427 0.000 4.583) 7.104 16.740 ( -3.599 0.000 2.616) 4.449 16.758 ( -4.426 0.000 -4.042) 5.994 16.839 ( -5.148 0.000 -1.504) 5.363 20.377 ( -0.421 0.000 -0.306) 0.520 20.451 ( 1.900 0.000 -0.455) 1.954 20.700 ( 1.124 0.000 -1.980) 2.277 20.745 ( 12.538 0.000 -5.815) 13.821 21.189 ( -3.989 0.000 2.638) 4.782 21.314 ( -1.198 0.000 -0.994) 1.557 21.438 ( 6.958 0.000 0.412) 6.970 21.516 ( 4.941 0.000 -1.688) 5.221 21.658 ( 2.953 0.000 3.425) 4.522 21.832 ( 3.029 0.000 -0.968) 3.180 22.170 ( -1.513 0.000 0.696) 1.665 22.209 ( -2.451 0.000 1.389) 2.818 22.497 ( 1.370 0.000 1.864) 2.313 22.607 ( 3.149 0.000 1.541) 3.505 23.391 ( -6.529 0.000 -4.176) 7.750 23.406 ( 1.543 0.000 0.400) 1.594 23.454 ( 1.664 0.000 3.228) 3.632 23.582 ( 1.494 0.000 -7.353) 7.503 23.613 ( -0.199 0.000 -2.515) 2.523 23.635 ( -1.308 0.000 -2.345) 2.685 24.042 ( -12.171 0.000 13.647) 18.286 24.461 ( -5.590 0.000 -4.552) 7.209 24.956 ( -32.952 0.000 24.712) 41.189 25.297 ( -11.679 0.000 -4.882) 12.658 25.834 ( 2.360 0.000 -0.468) 2.406 25.835 ( 2.623 0.000 0.093) 2.625 25.930 ( 4.078 0.000 2.419) 4.742 26.027 ( 11.819 0.000 -7.808) 14.165 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.140 0.000 -7.558) 7.559 1.176 ( 21.453 0.000 3.033) 21.667 1.608 ( 20.909 0.000 20.354) 29.180 1.808 ( 1.438 0.000 2.017) 2.477 2.051 ( -3.528 0.000 4.536) 5.746 2.174 ( 9.613 0.000 -15.534) 18.268 2.240 ( 3.235 0.000 -9.912) 10.427 2.251 ( 13.999 0.000 10.028) 17.220 2.410 ( 4.771 0.000 -0.817) 4.841 2.515 ( 11.265 0.000 -1.113) 11.319 2.587 ( -8.707 0.000 4.168) 9.654 2.596 ( 1.713 0.000 -4.844) 5.139 2.677 ( 2.776 0.000 -5.658) 6.302 2.693 ( -1.715 0.000 -3.140) 3.577 2.816 ( 6.084 0.000 -1.492) 6.264 2.864 ( 4.272 0.000 6.192) 7.522 2.918 ( -9.379 0.000 0.906) 9.423 2.928 ( 5.153 0.000 0.969) 5.243 2.957 ( -1.246 0.000 0.168) 1.258 3.076 ( 5.199 0.000 4.423) 6.826 3.131 ( 15.086 0.000 4.314) 15.691 3.271 ( 4.607 0.000 2.151) 5.084 3.273 ( -0.505 0.000 5.101) 5.126 3.321 ( -3.548 0.000 -0.538) 3.588 3.420 ( 0.755 0.000 -0.588) 0.957 3.434 ( -0.352 0.000 -0.740) 0.820 3.486 ( -4.630 0.000 -1.564) 4.887 3.546 ( 7.006 0.000 -1.082) 7.089 3.603 ( 2.638 0.000 4.182) 4.945 3.664 ( 0.168 0.000 -3.140) 3.144 3.671 ( 1.282 0.000 2.232) 2.574 3.750 ( -3.884 0.000 -2.126) 4.428 3.827 ( 8.949 0.000 -3.941) 9.778 3.948 ( -3.563 0.000 -10.289) 10.888 4.060 ( 4.615 0.000 0.421) 4.634 4.124 ( 2.384 0.000 0.291) 2.401 4.161 ( 7.976 0.000 -5.124) 9.480 4.345 ( 1.380 0.000 10.560) 10.649 4.421 ( -0.812 0.000 -0.010) 0.812 4.538 ( 3.017 0.000 -2.041) 3.642 4.599 ( -8.136 0.000 -0.029) 8.137 4.638 ( 1.116 0.000 -2.806) 3.020 4.684 ( 2.994 0.000 9.049) 9.531 4.812 ( 0.912 0.000 -1.389) 1.662 4.948 ( -8.487 0.000 -5.963) 10.372 5.023 ( -4.709 0.000 10.559) 11.562 5.074 ( -0.082 0.000 0.678) 0.683 5.084 ( -6.698 0.000 -3.367) 7.496 5.193 ( 5.850 0.000 -9.167) 10.874 5.278 ( 1.533 0.000 -4.887) 5.122 5.396 ( -1.293 0.000 7.576) 7.685 5.407 ( 7.337 0.000 -3.007) 7.929 5.506 ( -5.667 0.000 2.061) 6.030 5.514 ( -2.715 0.000 -6.337) 6.894 5.710 ( -0.291 0.000 2.410) 2.427 5.852 ( -10.926 0.000 -5.397) 12.186 5.921 ( -13.532 0.000 -1.170) 13.583 5.963 ( -2.478 0.000 -4.006) 4.710 6.134 ( -10.733 0.000 5.428) 12.028 6.160 ( -1.019 0.000 2.371) 2.581 6.189 ( -7.924 0.000 -0.913) 7.977 6.189 ( -7.948 0.000 -0.902) 7.999 6.548 ( -4.247 0.000 -0.148) 4.249 6.569 ( -6.754 0.000 3.948) 7.823 6.672 ( -16.149 0.000 -1.771) 16.245 6.732 ( -0.870 0.000 -0.951) 1.289 7.093 ( 5.752 0.000 -4.063) 7.042 7.156 ( 4.508 0.000 -0.300) 4.518 7.253 ( 3.769 0.000 3.312) 5.018 7.269 ( 12.672 0.000 0.937) 12.707 7.489 ( 8.305 0.000 2.589) 8.699 7.521 ( 1.529 0.000 1.452) 2.109 7.724 ( -0.555 0.000 0.249) 0.609 7.803 ( 7.669 0.000 3.112) 8.277 7.906 ( 0.591 0.000 -8.735) 8.755 7.973 ( 3.095 0.000 -1.316) 3.363 8.093 ( 3.410 0.000 3.215) 4.687 8.115 ( 0.917 0.000 -1.942) 2.147 8.249 ( -0.751 0.000 4.774) 4.833 8.297 ( -1.170 0.000 2.570) 2.824 8.376 ( -9.624 0.000 5.846) 11.261 8.497 ( -3.141 0.000 6.836) 7.523 8.675 ( -0.581 0.000 1.002) 1.159 8.687 ( -6.429 0.000 4.715) 7.973 8.819 ( -9.485 0.000 0.899) 9.528 9.158 ( 2.017 0.000 -3.933) 4.419 9.159 ( 2.495 0.000 -1.458) 2.890 9.236 ( 3.545 0.000 -9.834) 10.454 9.351 ( -3.451 0.000 0.932) 3.575 9.358 ( -5.448 0.000 -3.171) 6.304 9.472 ( -1.576 0.000 2.878) 3.281 9.474 ( 5.714 0.000 9.175) 10.808 9.535 ( -1.289 0.000 1.344) 1.862 9.616 ( 2.477 0.000 -0.979) 2.664 9.674 ( 1.628 0.000 1.539) 2.241 9.831 ( 4.205 0.000 -3.953) 5.771 9.923 ( 1.565 0.000 -8.413) 8.558 10.000 ( 2.905 0.000 2.131) 3.603 10.112 ( -2.937 0.000 1.014) 3.108 10.148 ( 5.613 0.000 10.448) 11.860 10.279 ( -4.623 0.000 5.724) 7.358 10.342 ( -4.274 0.000 -5.647) 7.082 10.491 ( 1.942 0.000 3.697) 4.176 10.520 ( -1.482 0.000 4.234) 4.486 10.621 ( 4.680 0.000 -2.599) 5.353 10.646 ( 9.220 0.000 -6.265) 11.147 10.965 ( 2.325 0.000 -2.380) 3.327 10.995 ( -5.711 0.000 -2.017) 6.057 11.231 ( -4.690 0.000 -0.436) 4.711 11.260 ( -11.977 0.000 2.829) 12.307 11.268 ( -4.645 0.000 -2.332) 5.198 11.443 ( -5.634 0.000 -4.932) 7.488 11.473 ( -5.349 0.000 3.097) 6.181 11.679 ( -0.805 0.000 0.040) 0.806 11.702 ( 3.741 0.000 -1.134) 3.909 11.728 ( -4.005 0.000 3.749) 5.486 11.958 ( 3.014 0.000 0.616) 3.076 11.993 ( 2.719 0.000 -1.147) 2.951 12.210 ( 4.099 0.000 3.989) 5.720 12.280 ( 1.764 0.000 -3.173) 3.631 12.411 ( 11.889 0.000 3.982) 12.538 12.453 ( 4.184 0.000 -3.915) 5.730 12.500 ( 8.334 0.000 4.670) 9.553 12.560 ( 7.208 0.000 -10.427) 12.676 12.602 ( 3.978 0.000 -5.494) 6.783 12.613 ( 5.788 0.000 2.075) 6.149 12.764 ( 7.804 0.000 -0.632) 7.829 12.800 ( 4.117 0.000 -2.669) 4.906 12.864 ( 3.803 0.000 1.928) 4.264 12.902 ( 5.215 0.000 -4.540) 6.914 13.568 ( 7.705 0.000 -2.345) 8.054 13.717 ( 1.005 0.000 0.206) 1.026 13.770 ( 4.108 0.000 -17.683) 18.154 13.798 ( 1.718 0.000 4.753) 5.054 13.863 ( 0.473 0.000 0.278) 0.548 13.973 ( 7.443 0.000 -13.390) 15.319 14.004 ( -1.938 0.000 -3.232) 3.769 14.141 ( 4.565 0.000 1.034) 4.680 14.404 ( 3.866 0.000 3.863) 5.465 14.656 ( 13.483 0.000 -0.513) 13.493 14.717 ( -3.686 0.000 10.338) 10.975 14.762 ( -5.741 0.000 -0.429) 5.757 15.031 ( -4.826 0.000 6.436) 8.044 15.123 ( -6.662 0.000 -2.212) 7.020 15.487 ( -10.816 0.000 5.606) 12.183 15.691 ( -1.506 0.000 -1.149) 1.894 15.815 ( -1.584 0.000 1.196) 1.985 16.087 ( -1.292 0.000 -0.266) 1.319 16.410 ( -7.201 0.000 4.140) 8.306 16.634 ( -5.151 0.000 -4.242) 6.673 16.680 ( -4.125 0.000 2.378) 4.761 16.714 ( -6.053 0.000 -2.093) 6.405 20.375 ( 0.367 0.000 -0.237) 0.437 20.475 ( 1.126 0.000 -1.079) 1.560 20.720 ( 1.384 0.000 0.595) 1.507 20.909 ( 8.255 0.000 -4.335) 9.324 21.150 ( -1.020 0.000 2.249) 2.470 21.314 ( 1.746 0.000 -0.633) 1.857 21.587 ( 8.142 0.000 -0.397) 8.151 21.615 ( 6.234 0.000 -0.954) 6.307 21.759 ( 4.871 0.000 4.372) 6.546 21.886 ( 2.796 0.000 -0.453) 2.833 22.121 ( -4.019 0.000 0.231) 4.025 22.130 ( -6.022 0.000 -0.076) 6.022 22.575 ( 6.226 0.000 0.631) 6.258 22.695 ( 5.549 0.000 0.719) 5.595 23.209 ( -9.874 0.000 -4.168) 10.718 23.312 ( -11.354 0.000 -2.238) 11.573 23.458 ( 0.942 0.000 1.436) 1.718 23.562 ( -0.452 0.000 -3.405) 3.435 23.587 ( 1.782 0.000 -7.834) 8.034 23.746 ( 8.879 0.000 2.845) 9.323 23.921 ( -9.464 0.000 13.157) 16.207 24.323 ( -4.608 0.000 -4.957) 6.768 24.622 ( -21.609 0.000 20.775) 29.976 24.996 ( -14.513 0.000 -8.445) 16.791 25.888 ( 3.444 0.000 -0.772) 3.530 25.891 ( 2.899 0.000 0.151) 2.903 26.006 ( 1.737 0.000 3.403) 3.821 26.134 ( 5.353 0.000 -4.705) 7.127 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 6.949 0.000 6.558) 9.555 1.489 ( 10.539 0.000 -2.921) 10.937 1.931 ( 10.898 0.000 1.579) 11.012 1.977 ( -5.788 0.000 1.997) 6.122 2.098 ( 17.761 0.000 12.987) 22.003 2.191 ( -18.385 0.000 2.517) 18.557 2.236 ( 0.005 0.000 -2.666) 2.666 2.305 ( -11.627 0.000 -2.376) 11.868 2.318 ( 12.457 0.000 -8.906) 15.313 2.556 ( 1.837 0.000 8.245) 8.447 2.639 ( -1.885 0.000 -1.507) 2.414 2.645 ( 1.846 0.000 0.713) 1.979 2.670 ( 4.957 0.000 -0.980) 5.053 2.754 ( 5.243 0.000 -0.935) 5.326 2.813 ( 2.505 0.000 0.770) 2.621 2.903 ( 1.693 0.000 -0.392) 1.738 2.931 ( 2.909 0.000 -1.164) 3.133 2.978 ( 1.993 0.000 2.053) 2.861 3.013 ( 6.348 0.000 -2.556) 6.844 3.111 ( -1.138 0.000 2.968) 3.178 3.178 ( -6.600 0.000 -1.107) 6.692 3.258 ( -4.886 0.000 1.291) 5.054 3.341 ( -1.257 0.000 2.048) 2.402 3.358 ( 3.970 0.000 -3.187) 5.091 3.408 ( -0.562 0.000 0.977) 1.127 3.424 ( 0.603 0.000 -2.280) 2.358 3.581 ( -3.017 0.000 2.228) 3.751 3.591 ( -5.927 0.000 -5.239) 7.910 3.644 ( 0.608 0.000 -2.317) 2.395 3.692 ( 5.312 0.000 1.355) 5.482 3.762 ( 12.076 0.000 11.247) 16.502 3.817 ( -3.171 0.000 -6.643) 7.361 3.821 ( 13.139 0.000 7.397) 15.079 4.011 ( 13.123 0.000 -6.402) 14.601 4.169 ( 2.128 0.000 -5.033) 5.464 4.169 ( -2.062 0.000 2.197) 3.013 4.277 ( 8.153 0.000 -5.263) 9.704 4.329 ( -12.545 0.000 1.347) 12.617 4.386 ( -6.401 0.000 7.832) 10.115 4.446 ( 1.348 0.000 4.644) 4.836 4.464 ( -16.174 0.000 -8.945) 18.482 4.586 ( -3.869 0.000 0.574) 3.912 4.637 ( 0.869 0.000 0.991) 1.318 4.744 ( -1.871 0.000 2.901) 3.452 4.973 ( 12.214 0.000 0.946) 12.251 5.016 ( -3.039 0.000 3.341) 4.516 5.044 ( -4.124 0.000 -3.950) 5.711 5.065 ( 3.237 0.000 -0.917) 3.364 5.229 ( 0.630 0.000 -4.097) 4.145 5.255 ( 4.869 0.000 -7.151) 8.651 5.367 ( -5.540 0.000 -2.637) 6.136 5.461 ( 0.174 0.000 4.799) 4.802 5.474 ( 3.136 0.000 0.934) 3.272 5.600 ( 7.589 0.000 0.036) 7.589 5.630 ( -6.887 0.000 -2.085) 7.196 5.654 ( -6.453 0.000 3.796) 7.486 5.796 ( 0.632 0.000 -3.674) 3.728 5.913 ( -5.111 0.000 -1.520) 5.332 5.981 ( -4.807 0.000 2.654) 5.491 6.067 ( -3.963 0.000 2.437) 4.652 6.076 ( -1.789 0.000 0.769) 1.947 6.180 ( 1.316 0.000 -0.999) 1.652 6.399 ( -7.472 0.000 -2.129) 7.770 6.463 ( -5.461 0.000 0.848) 5.527 6.511 ( -2.857 0.000 1.279) 3.130 6.733 ( 0.621 0.000 -1.791) 1.895 7.171 ( 4.561 0.000 -2.344) 5.128 7.313 ( 9.906 0.000 1.201) 9.979 7.339 ( 1.689 0.000 4.219) 4.545 7.428 ( 2.353 0.000 -7.651) 8.005 7.500 ( -5.048 0.000 -2.114) 5.473 7.515 ( -1.121 0.000 -0.456) 1.211 7.790 ( 9.715 0.000 9.774) 13.781 7.877 ( 0.878 0.000 -0.184) 0.897 7.919 ( 0.599 0.000 0.041) 0.600 8.035 ( 0.279 0.000 3.758) 3.768 8.137 ( 0.066 0.000 1.898) 1.899 8.187 ( -5.694 0.000 -2.014) 6.039 8.208 ( -1.301 0.000 -1.292) 1.834 8.255 ( 3.325 0.000 3.194) 4.611 8.292 ( -0.811 0.000 1.866) 2.035 8.472 ( -3.972 0.000 5.716) 6.961 8.643 ( -2.276 0.000 6.422) 6.813 8.651 ( -8.230 0.000 2.546) 8.615 8.681 ( -0.217 0.000 2.692) 2.701 9.124 ( 0.954 0.000 -9.420) 9.468 9.166 ( 1.213 0.000 -4.265) 4.434 9.200 ( -1.547 0.000 -7.137) 7.303 9.321 ( 0.618 0.000 1.855) 1.955 9.345 ( 0.927 0.000 -1.496) 1.760 9.428 ( 0.533 0.000 -0.442) 0.692 9.579 ( 0.012 0.000 9.992) 9.992 9.619 ( -0.832 0.000 6.334) 6.388 9.635 ( -1.262 0.000 -5.745) 5.882 9.717 ( 2.819 0.000 7.568) 8.076 9.864 ( 1.564 0.000 -3.485) 3.820 9.880 ( 3.637 0.000 -8.267) 9.031 10.072 ( 2.333 0.000 2.602) 3.495 10.135 ( -1.758 0.000 2.950) 3.434 10.181 ( 1.616 0.000 3.104) 3.499 10.243 ( -2.886 0.000 6.452) 7.068 10.351 ( 0.935 0.000 1.609) 1.860 10.505 ( -2.135 0.000 -1.957) 2.896 10.516 ( -1.923 0.000 0.908) 2.127 10.682 ( 3.257 0.000 -2.071) 3.859 10.792 ( 9.954 0.000 -4.809) 11.055 10.913 ( -0.961 0.000 0.350) 1.023 10.985 ( -0.525 0.000 0.526) 0.744 11.110 ( -3.244 0.000 0.108) 3.246 11.161 ( -0.839 0.000 -1.073) 1.362 11.186 ( -0.405 0.000 -9.174) 9.183 11.276 ( -7.361 0.000 -3.024) 7.958 11.388 ( -4.013 0.000 0.064) 4.014 11.634 ( -5.754 0.000 -5.965) 8.288 11.682 ( 0.495 0.000 2.630) 2.676 11.706 ( -3.266 0.000 7.171) 7.880 12.029 ( 1.210 0.000 -1.647) 2.044 12.088 ( 2.994 0.000 10.638) 11.051 12.225 ( -2.456 0.000 1.986) 3.159 12.305 ( 3.374 0.000 -3.695) 5.004 12.518 ( 7.639 0.000 -5.171) 9.224 12.545 ( -1.040 0.000 3.531) 3.682 12.614 ( 4.073 0.000 -1.574) 4.366 12.671 ( 2.642 0.000 -1.805) 3.200 12.672 ( 8.046 0.000 -1.871) 8.261 12.721 ( 4.434 0.000 -0.914) 4.528 12.846 ( -1.720 0.000 2.805) 3.290 12.865 ( 4.260 0.000 0.412) 4.280 12.942 ( 4.252 0.000 3.108) 5.266 12.987 ( 5.096 0.000 -0.405) 5.112 13.555 ( -0.736 0.000 -10.001) 10.028 13.684 ( 1.221 0.000 -23.660) 23.692 13.752 ( 0.464 0.000 2.458) 2.501 13.823 ( -1.173 0.000 -4.348) 4.503 13.880 ( -5.672 0.000 -7.882) 9.711 13.985 ( 6.644 0.000 11.880) 13.612 14.009 ( 5.595 0.000 -12.135) 13.363 14.260 ( 3.712 0.000 5.866) 6.942 14.470 ( 0.238 0.000 2.551) 2.562 14.682 ( -2.387 0.000 1.522) 2.831 14.738 ( -0.615 0.000 9.375) 9.395 14.887 ( 9.177 0.000 0.917) 9.223 14.966 ( -6.282 0.000 -2.089) 6.620 14.990 ( -4.036 0.000 5.053) 6.467 15.355 ( -7.615 0.000 8.167) 11.167 15.668 ( -0.060 0.000 0.182) 0.191 15.803 ( -0.187 0.000 -0.235) 0.301 16.054 ( -1.218 0.000 -1.970) 2.316 16.312 ( -5.077 0.000 2.161) 5.518 16.542 ( -1.164 0.000 -4.207) 4.365 16.628 ( -1.410 0.000 -0.782) 1.613 16.634 ( -2.128 0.000 1.899) 2.852 20.384 ( 0.517 0.000 0.010) 0.517 20.478 ( 0.269 0.000 -1.951) 1.970 20.759 ( 1.127 0.000 4.294) 4.440 20.984 ( 1.903 0.000 0.173) 1.911 21.199 ( 4.137 0.000 2.077) 4.629 21.347 ( 1.319 0.000 -0.738) 1.512 21.705 ( 3.978 0.000 0.948) 4.090 21.721 ( 4.704 0.000 0.979) 4.805 21.892 ( 6.394 0.000 3.822) 7.449 21.925 ( 1.891 0.000 -0.777) 2.044 22.010 ( -5.599 0.000 -1.129) 5.711 22.029 ( -5.979 0.000 0.384) 5.991 22.716 ( 7.190 0.000 -0.945) 7.252 22.804 ( 6.005 0.000 -4.989) 7.807 22.989 ( -10.427 0.000 -1.523) 10.537 23.083 ( -9.417 0.000 -1.534) 9.541 23.468 ( -0.404 0.000 -0.973) 1.054 23.531 ( -1.027 0.000 0.034) 1.027 23.588 ( 4.126 0.000 -8.844) 9.759 23.866 ( -3.948 0.000 7.429) 8.413 23.884 ( 2.657 0.000 1.283) 2.950 24.253 ( -0.264 0.000 -5.148) 5.155 24.385 ( -17.158 0.000 15.838) 23.350 24.746 ( -3.220 0.000 -6.905) 7.619 25.931 ( 1.085 0.000 0.001) 1.085 25.938 ( 2.274 0.000 -0.994) 2.482 26.033 ( -1.186 0.000 3.194) 3.407 26.185 ( 2.991 0.000 -2.634) 3.985 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 2.005 0.000 10.193) 10.388 1.512 ( -7.312 0.000 -6.826) 10.003 1.804 ( -17.993 0.000 -0.307) 17.995 1.842 ( -18.110 0.000 9.610) 20.502 1.935 ( -10.403 0.000 1.647) 10.532 2.150 ( 10.868 0.000 -2.447) 11.140 2.405 ( 10.597 0.000 3.150) 11.055 2.441 ( 8.045 0.000 2.493) 8.423 2.515 ( 9.630 0.000 -4.599) 10.671 2.585 ( -2.007 0.000 -1.230) 2.353 2.587 ( -0.045 0.000 3.618) 3.619 2.637 ( -4.070 0.000 4.177) 5.833 2.750 ( 4.464 0.000 2.767) 5.252 2.814 ( 2.303 0.000 0.197) 2.311 2.869 ( -1.985 0.000 -2.945) 3.551 2.926 ( 2.517 0.000 5.405) 5.962 2.935 ( -6.559 0.000 -0.050) 6.559 3.012 ( -0.743 0.000 1.875) 2.017 3.040 ( -10.564 0.000 -1.155) 10.626 3.070 ( -8.485 0.000 -1.683) 8.650 3.107 ( 1.653 0.000 -7.126) 7.315 3.190 ( 2.974 0.000 2.989) 4.216 3.300 ( -2.774 0.000 0.520) 2.822 3.341 ( -5.024 0.000 1.600) 5.272 3.362 ( -2.906 0.000 -0.364) 2.929 3.449 ( 2.077 0.000 1.985) 2.873 3.500 ( -4.858 0.000 -1.784) 5.175 3.510 ( 1.135 0.000 -4.477) 4.618 3.648 ( -18.485 0.000 3.349) 18.786 3.655 ( 1.055 0.000 -4.627) 4.745 3.705 ( -3.334 0.000 -0.715) 3.410 3.869 ( 10.157 0.000 0.397) 10.164 3.909 ( 1.319 0.000 7.763) 7.874 4.069 ( -3.175 0.000 -7.015) 7.700 4.115 ( -10.169 0.000 -2.325) 10.431 4.169 ( 2.347 0.000 -2.519) 3.443 4.204 ( 5.486 0.000 -5.774) 7.965 4.359 ( 3.861 0.000 -4.424) 5.872 4.385 ( 6.648 0.000 -2.070) 6.963 4.428 ( -15.750 0.000 7.403) 17.403 4.537 ( 1.415 0.000 4.982) 5.179 4.551 ( 14.361 0.000 10.499) 17.790 4.620 ( -3.483 0.000 -1.455) 3.774 4.718 ( -1.438 0.000 2.710) 3.068 4.894 ( -0.888 0.000 -9.602) 9.643 5.031 ( 0.108 0.000 -1.395) 1.399 5.149 ( -12.933 0.000 2.094) 13.102 5.178 ( -3.828 0.000 3.660) 5.296 5.192 ( 13.337 0.000 -0.916) 13.368 5.202 ( 9.485 0.000 -0.544) 9.500 5.387 ( 9.322 0.000 -4.149) 10.203 5.498 ( 2.912 0.000 -5.924) 6.601 5.577 ( 5.603 0.000 4.783) 7.367 5.637 ( -4.043 0.000 -0.928) 4.148 5.659 ( -7.170 0.000 1.830) 7.400 5.665 ( 8.847 0.000 4.296) 9.835 5.719 ( 1.382 0.000 -4.575) 4.779 5.817 ( 3.666 0.000 -1.751) 4.062 5.995 ( 3.438 0.000 2.578) 4.297 6.097 ( 4.412 0.000 2.561) 5.102 6.129 ( -4.118 0.000 -3.469) 5.385 6.160 ( 4.403 0.000 1.467) 4.641 6.397 ( 9.455 0.000 -0.276) 9.459 6.400 ( -0.624 0.000 -2.256) 2.341 6.523 ( 2.633 0.000 2.791) 3.837 6.718 ( -0.344 0.000 -2.470) 2.493 7.207 ( -0.375 0.000 -0.537) 0.655 7.249 ( -7.385 0.000 -4.269) 8.530 7.340 ( -3.428 0.000 3.070) 4.602 7.366 ( -5.902 0.000 -2.065) 6.253 7.512 ( 0.948 0.000 -1.586) 1.848 7.597 ( 9.111 0.000 -0.381) 9.119 7.833 ( -6.302 0.000 -1.854) 6.569 7.863 ( -7.118 0.000 8.352) 10.973 8.029 ( -6.483 0.000 -5.111) 8.255 8.045 ( 6.828 0.000 7.371) 10.047 8.071 ( 5.495 0.000 4.588) 7.158 8.135 ( -4.050 0.000 -0.357) 4.066 8.164 ( -1.285 0.000 4.680) 4.853 8.266 ( -2.761 0.000 0.714) 2.852 8.405 ( 8.785 0.000 -4.821) 10.021 8.438 ( -2.888 0.000 4.039) 4.965 8.525 ( -7.624 0.000 7.682) 10.823 8.665 ( -0.311 0.000 6.123) 6.131 8.763 ( 5.553 0.000 3.560) 6.596 9.087 ( -1.087 0.000 -8.886) 8.952 9.138 ( 2.783 0.000 -8.103) 8.567 9.167 ( 2.765 0.000 -2.058) 3.447 9.352 ( 0.205 0.000 -2.018) 2.029 9.363 ( 1.554 0.000 1.875) 2.435 9.463 ( 4.237 0.000 -0.940) 4.340 9.504 ( -4.891 0.000 -7.884) 9.278 9.616 ( -2.590 0.000 8.904) 9.273 9.631 ( -2.210 0.000 10.097) 10.336 9.811 ( -1.355 0.000 1.667) 2.148 9.875 ( 3.312 0.000 4.768) 5.805 9.914 ( 2.182 0.000 -6.117) 6.495 10.105 ( -0.763 0.000 0.849) 1.141 10.107 ( -0.132 0.000 1.124) 1.132 10.220 ( -11.144 0.000 4.060) 11.860 10.229 ( -3.775 0.000 4.410) 5.806 10.349 ( 7.098 0.000 1.410) 7.236 10.418 ( -1.222 0.000 -5.061) 5.206 10.462 ( -2.877 0.000 -0.303) 2.893 10.733 ( 0.668 0.000 -0.183) 0.693 10.886 ( 0.095 0.000 1.029) 1.033 10.892 ( 1.984 0.000 -7.922) 8.167 10.996 ( 0.206 0.000 5.230) 5.234 11.106 ( -1.467 0.000 -8.832) 8.953 11.163 ( 6.656 0.000 3.170) 7.372 11.174 ( 2.133 0.000 -6.798) 7.125 11.259 ( 9.311 0.000 -0.035) 9.311 11.364 ( 0.700 0.000 2.306) 2.410 11.500 ( -1.982 0.000 -8.784) 9.005 11.662 ( -5.334 0.000 3.186) 6.213 11.739 ( 2.424 0.000 5.296) 5.824 12.011 ( -1.203 0.000 -3.126) 3.349 12.168 ( -0.556 0.000 10.414) 10.429 12.192 ( -1.963 0.000 2.141) 2.905 12.351 ( 3.403 0.000 -3.060) 4.576 12.467 ( -7.988 0.000 0.452) 8.001 12.583 ( -5.465 0.000 -0.156) 5.468 12.660 ( -7.670 0.000 -2.472) 8.058 12.669 ( 5.061 0.000 2.526) 5.657 12.711 ( 5.650 0.000 -5.351) 7.782 12.717 ( -6.317 0.000 0.542) 6.340 12.848 ( 0.988 0.000 -0.647) 1.181 12.962 ( 3.116 0.000 5.361) 6.201 12.975 ( -3.029 0.000 3.724) 4.800 13.068 ( 2.212 0.000 4.769) 5.257 13.474 ( -0.320 0.000 -10.700) 10.704 13.504 ( -2.990 0.000 -24.300) 24.484 13.676 ( -6.235 0.000 -7.965) 10.116 13.786 ( -0.663 0.000 2.344) 2.436 13.824 ( 4.843 0.000 -8.047) 9.392 14.030 ( 4.735 0.000 -9.740) 10.830 14.149 ( 1.631 0.000 10.246) 10.375 14.267 ( -6.293 0.000 1.160) 6.399 14.466 ( -2.284 0.000 2.777) 3.596 14.680 ( 1.719 0.000 1.248) 2.124 14.819 ( -5.750 0.000 7.600) 9.530 14.828 ( 6.330 0.000 -2.073) 6.660 14.948 ( -2.906 0.000 2.790) 4.029 15.087 ( 6.893 0.000 2.539) 7.346 15.323 ( -2.389 0.000 11.330) 11.579 15.695 ( 2.136 0.000 0.820) 2.289 15.802 ( -0.051 0.000 0.509) 0.512 16.029 ( 0.729 0.000 -3.639) 3.712 16.270 ( 0.053 0.000 0.617) 0.619 16.550 ( 4.821 0.000 -3.586) 6.009 16.630 ( 0.719 0.000 0.912) 1.161 16.656 ( 3.929 0.000 0.777) 4.005 20.392 ( 0.170 0.000 0.548) 0.574 20.461 ( -0.446 0.000 -2.514) 2.553 20.811 ( 0.443 0.000 5.766) 5.783 21.018 ( 1.798 0.000 1.315) 2.228 21.291 ( 3.013 0.000 4.281) 5.236 21.333 ( -1.840 0.000 -1.502) 2.375 21.745 ( -0.904 0.000 1.665) 1.894 21.763 ( -2.983 0.000 3.023) 4.247 21.896 ( -1.666 0.000 -2.760) 3.224 21.911 ( -7.606 0.000 3.639) 8.432 22.007 ( 4.689 0.000 0.074) 4.690 22.030 ( 6.501 0.000 0.372) 6.512 22.688 ( -7.953 0.000 -2.103) 8.226 22.717 ( -7.158 0.000 -7.889) 10.652 22.930 ( 2.628 0.000 -4.671) 5.359 23.094 ( 10.269 0.000 -1.213) 10.341 23.434 ( -1.614 0.000 -2.306) 2.815 23.535 ( 0.967 0.000 0.863) 1.296 23.625 ( 2.838 0.000 -0.113) 2.840 23.825 ( -7.582 0.000 -2.710) 8.052 23.869 ( 1.078 0.000 0.955) 1.440 24.202 ( -11.417 0.000 11.744) 16.379 24.245 ( 4.609 0.000 -4.576) 6.495 24.842 ( 13.717 0.000 -1.721) 13.825 25.926 ( -1.441 0.000 -0.209) 1.456 25.952 ( -0.058 0.000 -1.185) 1.186 26.007 ( -3.562 0.000 2.710) 4.475 26.216 ( 1.817 0.000 -1.438) 2.317 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -27.200 0.000 -3.631) 27.442 1.185 ( -27.619 0.000 3.316) 27.817 1.701 ( -8.374 0.000 9.835) 12.917 1.702 ( 2.882 0.000 6.552) 7.158 1.858 ( 0.884 0.000 0.719) 1.140 2.256 ( -37.387 0.000 -2.885) 37.498 2.302 ( -1.053 0.000 2.223) 2.460 2.330 ( -10.433 0.000 -4.892) 11.523 2.530 ( -2.892 0.000 -4.244) 5.135 2.564 ( -4.993 0.000 -3.412) 6.048 2.581 ( 2.633 0.000 -2.840) 3.873 2.628 ( -3.043 0.000 5.776) 6.529 2.680 ( -4.891 0.000 5.682) 7.498 2.767 ( -1.191 0.000 -3.847) 4.027 2.789 ( -4.906 0.000 -1.927) 5.271 2.862 ( -7.496 0.000 -2.020) 7.763 2.865 ( 3.358 0.000 5.234) 6.218 2.933 ( -3.633 0.000 0.045) 3.633 3.009 ( 7.613 0.000 2.793) 8.109 3.042 ( 3.332 0.000 3.227) 4.638 3.090 ( 0.858 0.000 -6.347) 6.405 3.284 ( 0.145 0.000 6.007) 6.009 3.286 ( -0.286 0.000 0.109) 0.306 3.335 ( 1.913 0.000 -1.782) 2.614 3.358 ( -1.785 0.000 0.149) 1.791 3.418 ( -2.897 0.000 -0.119) 2.899 3.449 ( -2.140 0.000 3.056) 3.731 3.532 ( -0.985 0.000 2.307) 2.509 3.552 ( 4.557 0.000 -0.900) 4.645 3.601 ( -0.748 0.000 -9.498) 9.527 3.660 ( 0.601 0.000 -0.945) 1.120 3.887 ( -4.912 0.000 4.770) 6.846 3.911 ( -6.759 0.000 -4.147) 7.930 4.013 ( -1.513 0.000 1.520) 2.145 4.036 ( -2.960 0.000 0.454) 2.995 4.104 ( -11.918 0.000 -6.294) 13.478 4.208 ( 2.927 0.000 -1.916) 3.499 4.262 ( 4.469 0.000 4.200) 6.133 4.370 ( 3.177 0.000 -7.787) 8.410 4.543 ( -2.142 0.000 -0.942) 2.340 4.561 ( 5.274 0.000 6.873) 8.663 4.583 ( 1.701 0.000 7.930) 8.110 4.727 ( 3.678 0.000 0.947) 3.798 4.882 ( 13.266 0.000 2.622) 13.523 4.903 ( -5.351 0.000 -3.396) 6.338 4.996 ( -0.136 0.000 -6.077) 6.078 5.007 ( 4.950 0.000 2.273) 5.447 5.112 ( -4.749 0.000 0.161) 4.752 5.278 ( -4.138 0.000 1.413) 4.373 5.381 ( -2.674 0.000 3.039) 4.048 5.481 ( 0.161 0.000 0.156) 0.224 5.499 ( 2.351 0.000 -9.365) 9.656 5.518 ( 3.072 0.000 -2.053) 3.695 5.538 ( -2.663 0.000 2.413) 3.594 5.733 ( 5.667 0.000 8.330) 10.075 5.803 ( 5.641 0.000 -9.233) 10.820 5.871 ( 12.384 0.000 -3.918) 12.989 5.960 ( 11.923 0.000 -5.881) 13.294 6.049 ( 2.240 0.000 0.107) 2.242 6.124 ( 5.809 0.000 4.546) 7.376 6.238 ( 9.337 0.000 0.121) 9.337 6.242 ( 3.760 0.000 0.556) 3.801 6.417 ( 3.977 0.000 1.182) 4.149 6.569 ( 4.902 0.000 1.347) 5.084 6.708 ( 16.316 0.000 1.090) 16.353 6.717 ( 2.359 0.000 -1.447) 2.768 7.123 ( -4.856 0.000 -4.447) 6.585 7.162 ( -2.917 0.000 0.396) 2.943 7.225 ( -6.578 0.000 2.273) 6.960 7.286 ( -3.719 0.000 -0.477) 3.749 7.474 ( -4.556 0.000 -1.377) 4.759 7.637 ( -5.738 0.000 2.531) 6.271 7.737 ( -3.053 0.000 0.807) 3.158 7.776 ( -6.688 0.000 8.282) 10.645 7.885 ( -5.872 0.000 -5.306) 7.914 8.029 ( -4.930 0.000 1.136) 5.060 8.110 ( -4.349 0.000 4.283) 6.104 8.191 ( 0.117 0.000 2.802) 2.805 8.205 ( -3.512 0.000 -1.802) 3.947 8.247 ( 9.374 0.000 3.428) 9.981 8.398 ( -3.559 0.000 1.995) 4.080 8.479 ( -0.435 0.000 5.725) 5.741 8.529 ( 4.850 0.000 -0.328) 4.861 8.693 ( -0.710 0.000 3.406) 3.479 8.876 ( 3.481 0.000 1.493) 3.787 9.022 ( 0.480 0.000 -2.822) 2.863 9.153 ( 3.774 0.000 -9.308) 10.045 9.229 ( 1.293 0.000 1.768) 2.190 9.323 ( -1.400 0.000 -0.222) 1.418 9.357 ( -1.027 0.000 -2.826) 3.007 9.498 ( 8.150 0.000 1.318) 8.256 9.573 ( 6.324 0.000 -1.960) 6.621 9.615 ( -4.660 0.000 5.785) 7.428 9.660 ( 0.064 0.000 11.885) 11.885 9.730 ( -4.315 0.000 -3.653) 5.653 9.888 ( -0.096 0.000 -3.497) 3.498 9.938 ( -14.451 0.000 4.200) 15.049 9.990 ( 2.751 0.000 7.187) 7.695 10.061 ( -5.060 0.000 2.552) 5.667 10.149 ( 0.261 0.000 -5.036) 5.043 10.186 ( -1.850 0.000 -0.267) 1.869 10.306 ( -2.373 0.000 -6.490) 6.910 10.409 ( -2.882 0.000 -0.593) 2.942 10.604 ( 12.292 0.000 3.459) 12.769 10.703 ( -2.862 0.000 4.044) 4.954 10.827 ( -7.271 0.000 2.652) 7.740 10.905 ( 5.764 0.000 -7.215) 9.235 11.064 ( 3.937 0.000 -7.112) 8.129 11.100 ( 6.387 0.000 1.828) 6.643 11.197 ( 3.200 0.000 -2.437) 4.022 11.307 ( 4.054 0.000 4.888) 6.351 11.400 ( -1.073 0.000 6.724) 6.809 11.459 ( 9.772 0.000 -6.793) 11.901 11.488 ( 7.783 0.000 -3.881) 8.697 11.583 ( -0.693 0.000 -4.712) 4.763 11.821 ( 1.671 0.000 6.641) 6.848 11.956 ( -1.495 0.000 -4.852) 5.077 12.172 ( -3.544 0.000 4.390) 5.642 12.189 ( -5.127 0.000 7.831) 9.360 12.269 ( -12.219 0.000 -1.754) 12.344 12.391 ( -1.730 0.000 -4.995) 5.286 12.417 ( -15.287 0.000 -1.063) 15.324 12.453 ( -0.583 0.000 2.820) 2.879 12.562 ( -9.088 0.000 1.279) 9.178 12.700 ( -0.470 0.000 -4.063) 4.090 12.788 ( -4.477 0.000 -6.017) 7.500 12.810 ( 5.732 0.000 -5.339) 7.834 12.877 ( -10.165 0.000 3.334) 10.698 12.996 ( -3.672 0.000 5.295) 6.444 13.117 ( -3.810 0.000 2.527) 4.572 13.331 ( 2.498 0.000 -14.064) 14.284 13.440 ( 2.420 0.000 -6.140) 6.600 13.541 ( -1.728 0.000 -6.727) 6.946 13.817 ( 0.238 0.000 -11.722) 11.724 13.819 ( 1.679 0.000 3.855) 4.204 14.057 ( 2.844 0.000 -7.058) 7.610 14.121 ( -4.997 0.000 -3.888) 6.331 14.174 ( -2.886 0.000 4.503) 5.349 14.364 ( -10.109 0.000 3.440) 10.678 14.796 ( -3.965 0.000 8.964) 9.802 14.820 ( 10.161 0.000 2.893) 10.565 14.890 ( 3.018 0.000 -14.033) 14.354 14.925 ( -0.917 0.000 1.227) 1.531 15.185 ( 2.795 0.000 0.873) 2.928 15.442 ( 5.413 0.000 17.900) 18.700 15.734 ( 1.519 0.000 -0.292) 1.547 15.813 ( -0.162 0.000 5.091) 5.093 16.033 ( 2.168 0.000 -3.786) 4.362 16.328 ( 5.256 0.000 1.066) 5.363 16.659 ( 8.399 0.000 -2.838) 8.865 16.665 ( 2.553 0.000 -0.547) 2.611 16.758 ( 5.789 0.000 0.734) 5.835 20.398 ( -0.075 0.000 0.977) 0.980 20.434 ( -0.600 0.000 -2.451) 2.523 20.827 ( -2.616 0.000 3.766) 4.586 21.072 ( 3.267 0.000 0.558) 3.315 21.295 ( -0.087 0.000 -1.501) 1.504 21.357 ( 1.343 0.000 2.473) 2.814 21.663 ( -7.374 0.000 -3.328) 8.090 21.665 ( -7.123 0.000 0.363) 7.132 21.819 ( -6.447 0.000 6.356) 9.053 21.875 ( -0.788 0.000 -0.192) 0.811 22.099 ( 4.233 0.000 0.049) 4.233 22.115 ( 4.117 0.000 -7.051) 8.164 22.540 ( -5.652 0.000 -0.083) 5.653 22.577 ( -3.224 0.000 -2.658) 4.178 22.934 ( 1.504 0.000 0.383) 1.552 23.274 ( 7.898 0.000 -4.086) 8.892 23.398 ( -0.491 0.000 -1.612) 1.686 23.565 ( 2.418 0.000 -1.856) 3.048 23.677 ( -3.821 0.000 -1.913) 4.273 23.681 ( -0.276 0.000 10.342) 10.346 23.864 ( -3.704 0.000 0.408) 3.727 24.180 ( 2.995 0.000 9.444) 9.908 24.355 ( 8.674 0.000 -2.786) 9.111 25.124 ( 15.808 0.000 -0.895) 15.833 25.881 ( -2.936 0.000 -0.291) 2.950 25.919 ( -2.779 0.000 -0.998) 2.953 25.944 ( -4.370 0.000 1.790) 4.723 26.236 ( 1.261 0.000 -1.366) 1.859 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -26.582 0.000 5.667) 27.180 0.715 ( -26.410 0.000 17.323) 31.584 1.286 ( -49.344 0.000 25.350) 55.475 1.732 ( 3.085 0.000 -10.258) 10.712 1.779 ( -2.060 0.000 1.849) 2.768 2.013 ( 5.438 0.000 14.463) 15.452 2.070 ( -8.862 0.000 -12.533) 15.350 2.324 ( -4.122 0.000 -6.356) 7.576 2.429 ( -1.316 0.000 0.058) 1.317 2.453 ( -2.307 0.000 -5.095) 5.593 2.460 ( -10.905 0.000 1.783) 11.050 2.586 ( 0.843 0.000 -4.683) 4.758 2.610 ( -4.148 0.000 -1.769) 4.510 2.707 ( -5.017 0.000 0.665) 5.060 2.778 ( 0.489 0.000 0.644) 0.809 2.796 ( 1.560 0.000 0.823) 1.764 2.803 ( -5.336 0.000 0.411) 5.352 2.963 ( -1.086 0.000 2.143) 2.403 3.064 ( 0.338 0.000 -3.699) 3.714 3.097 ( 0.597 0.000 -2.540) 2.609 3.099 ( -2.114 0.000 0.301) 2.136 3.192 ( -7.015 0.000 -0.084) 7.015 3.308 ( 5.209 0.000 0.373) 5.222 3.357 ( -1.775 0.000 -2.032) 2.698 3.373 ( 3.978 0.000 1.839) 4.383 3.402 ( -0.121 0.000 5.158) 5.159 3.465 ( -5.322 0.000 2.053) 5.704 3.491 ( 2.272 0.000 2.899) 3.684 3.565 ( 4.358 0.000 -6.716) 8.006 3.674 ( -5.809 0.000 1.506) 6.001 3.680 ( 8.594 0.000 -0.524) 8.610 3.778 ( 2.513 0.000 -0.281) 2.529 3.857 ( -3.204 0.000 5.221) 6.126 3.929 ( -3.348 0.000 -3.764) 5.038 3.941 ( -2.668 0.000 -7.869) 8.309 3.988 ( -2.559 0.000 2.341) 3.468 4.255 ( -0.363 0.000 -6.450) 6.460 4.283 ( 3.654 0.000 -1.358) 3.898 4.473 ( -0.150 0.000 2.376) 2.381 4.530 ( 5.852 0.000 -1.466) 6.033 4.566 ( -6.899 0.000 7.001) 9.829 4.726 ( 4.811 0.000 -0.869) 4.889 4.777 ( -2.280 0.000 1.035) 2.504 4.857 ( 5.055 0.000 3.856) 6.358 4.870 ( -9.248 0.000 -10.334) 13.868 4.968 ( -2.395 0.000 -2.806) 3.689 5.103 ( -2.998 0.000 0.208) 3.005 5.112 ( -1.855 0.000 -1.720) 2.530 5.192 ( 0.168 0.000 0.194) 0.257 5.276 ( -3.626 0.000 -0.061) 3.626 5.385 ( -2.941 0.000 -4.393) 5.287 5.484 ( 0.411 0.000 -4.325) 4.344 5.550 ( 1.779 0.000 1.476) 2.311 5.658 ( 6.680 0.000 0.607) 6.707 5.746 ( 1.117 0.000 -6.947) 7.036 5.879 ( 3.660 0.000 10.931) 11.527 6.099 ( 4.868 0.000 -8.106) 9.455 6.100 ( 11.248 0.000 -0.517) 11.260 6.205 ( 10.487 0.000 -1.514) 10.596 6.232 ( 5.545 0.000 3.112) 6.359 6.313 ( 4.074 0.000 -0.216) 4.080 6.407 ( 9.575 0.000 -1.815) 9.746 6.633 ( 13.539 0.000 12.990) 18.763 6.661 ( 4.599 0.000 1.287) 4.776 6.779 ( 3.440 0.000 -0.454) 3.469 6.900 ( -7.630 0.000 -2.546) 8.043 7.033 ( 9.120 0.000 -3.877) 9.910 7.118 ( -4.770 0.000 -3.797) 6.097 7.174 ( -3.817 0.000 -4.522) 5.918 7.231 ( 5.334 0.000 1.009) 5.429 7.361 ( -6.703 0.000 2.073) 7.016 7.500 ( -8.926 0.000 3.191) 9.480 7.694 ( -9.036 0.000 7.890) 11.996 7.714 ( -2.031 0.000 2.267) 3.044 7.783 ( 2.258 0.000 0.521) 2.317 7.996 ( -11.852 0.000 6.540) 13.537 8.010 ( -2.113 0.000 3.602) 4.176 8.129 ( 0.375 0.000 -1.288) 1.342 8.148 ( -3.686 0.000 1.352) 3.926 8.370 ( -0.785 0.000 4.183) 4.256 8.417 ( 5.631 0.000 -3.806) 6.797 8.507 ( 0.497 0.000 2.489) 2.538 8.610 ( 3.559 0.000 1.151) 3.740 8.695 ( 0.343 0.000 3.933) 3.948 8.930 ( 3.180 0.000 1.959) 3.735 9.101 ( 6.851 0.000 4.363) 8.122 9.168 ( 3.899 0.000 -4.967) 6.314 9.256 ( -1.228 0.000 1.143) 1.677 9.305 ( -1.864 0.000 1.681) 2.510 9.317 ( 0.913 0.000 -0.148) 0.925 9.506 ( -6.484 0.000 -10.629) 12.451 9.517 ( -7.148 0.000 -0.291) 7.154 9.653 ( -1.273 0.000 6.521) 6.644 9.721 ( 2.984 0.000 -3.746) 4.790 9.780 ( 4.279 0.000 13.660) 14.314 9.793 ( 0.135 0.000 -0.265) 0.298 9.958 ( 9.012 0.000 2.853) 9.453 9.979 ( -2.745 0.000 2.129) 3.474 10.065 ( -0.927 0.000 1.636) 1.880 10.093 ( -0.001 0.000 -8.087) 8.087 10.166 ( -0.533 0.000 9.240) 9.256 10.229 ( -1.292 0.000 -5.719) 5.863 10.346 ( -3.599 0.000 -2.328) 4.286 10.678 ( -1.850 0.000 1.764) 2.557 10.709 ( -4.818 0.000 0.183) 4.822 10.836 ( 7.940 0.000 1.888) 8.161 10.987 ( 4.184 0.000 -1.999) 4.637 11.135 ( 5.938 0.000 -3.207) 6.749 11.147 ( -3.672 0.000 1.029) 3.813 11.250 ( 4.682 0.000 -1.600) 4.948 11.389 ( 4.383 0.000 0.790) 4.453 11.439 ( 0.988 0.000 8.422) 8.480 11.546 ( 4.332 0.000 -2.033) 4.785 11.591 ( 4.679 0.000 -6.252) 7.809 11.653 ( 8.498 0.000 -2.826) 8.955 11.878 ( -0.021 0.000 6.085) 6.085 11.895 ( -1.980 0.000 -11.936) 12.099 12.042 ( -10.311 0.000 -3.364) 10.846 12.064 ( -8.324 0.000 -1.197) 8.409 12.087 ( -5.927 0.000 5.495) 8.082 12.176 ( -9.334 0.000 1.951) 9.536 12.297 ( -2.036 0.000 -2.108) 2.931 12.426 ( -8.553 0.000 3.069) 9.087 12.528 ( -10.830 0.000 -19.250) 22.087 12.568 ( -4.660 0.000 -4.733) 6.642 12.624 ( -8.329 0.000 -1.039) 8.393 12.741 ( -3.633 0.000 -1.018) 3.774 12.761 ( -3.811 0.000 -11.649) 12.257 12.890 ( -4.720 0.000 -4.351) 6.420 12.972 ( -6.187 0.000 0.548) 6.211 13.390 ( -0.815 0.000 -8.594) 8.632 13.445 ( 8.419 0.000 5.292) 9.944 13.587 ( 5.595 0.000 1.175) 5.717 13.718 ( -5.836 0.000 -0.711) 5.879 13.885 ( 2.310 0.000 3.985) 4.606 13.989 ( -0.265 0.000 -17.076) 17.079 14.053 ( -3.377 0.000 -9.548) 10.128 14.135 ( -2.692 0.000 -0.501) 2.738 14.197 ( -8.786 0.000 3.903) 9.614 14.566 ( -17.121 0.000 -18.708) 25.359 14.848 ( -2.945 0.000 4.452) 5.338 14.918 ( 0.199 0.000 -0.718) 0.745 15.016 ( 6.251 0.000 5.640) 8.420 15.230 ( 1.341 0.000 2.359) 2.714 15.667 ( 6.535 0.000 1.623) 6.733 15.746 ( 0.559 0.000 -1.522) 1.621 15.945 ( 8.761 0.000 18.005) 20.024 16.055 ( 2.382 0.000 -2.587) 3.517 16.443 ( 4.832 0.000 2.542) 5.460 16.709 ( 2.712 0.000 -0.586) 2.775 16.785 ( 6.228 0.000 -3.034) 6.928 16.857 ( 4.120 0.000 0.218) 4.126 20.400 ( -0.416 0.000 0.783) 0.886 20.415 ( 0.166 0.000 -1.653) 1.661 20.771 ( -3.967 0.000 0.291) 3.978 21.114 ( -1.673 0.000 -11.787) 11.905 21.270 ( -11.952 0.000 -18.754) 22.239 21.318 ( 2.675 0.000 -0.839) 2.803 21.445 ( -9.066 0.000 -1.842) 9.252 21.540 ( -5.385 0.000 -1.299) 5.540 21.693 ( -8.031 0.000 1.208) 8.121 21.842 ( -2.376 0.000 -0.525) 2.434 22.115 ( 1.597 0.000 -0.791) 1.782 22.158 ( 2.405 0.000 0.539) 2.464 22.488 ( -1.531 0.000 2.587) 3.006 22.547 ( -0.230 0.000 -0.299) 0.377 23.184 ( 18.491 0.000 24.210) 30.464 23.318 ( 1.725 0.000 -2.899) 3.373 23.380 ( -0.566 0.000 -1.445) 1.552 23.596 ( 2.432 0.000 -2.754) 3.674 23.688 ( 3.514 0.000 -1.003) 3.655 23.740 ( -4.648 0.000 1.635) 4.927 23.838 ( 6.956 0.000 19.105) 20.332 24.436 ( 17.405 0.000 25.641) 30.991 24.491 ( 7.002 0.000 -2.812) 7.546 25.371 ( 10.220 0.000 -0.451) 10.230 25.828 ( -2.255 0.000 -0.179) 2.263 25.852 ( -2.951 0.000 -0.176) 2.956 25.877 ( -3.537 0.000 0.014) 3.537 26.221 ( -2.474 0.000 -6.454) 6.912 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 1.803 17.594 13.916) 22.505 0.811 ( -1.766 22.082 18.538) 28.886 1.493 ( 1.021 40.582 18.191) 44.484 1.639 ( -5.981 3.141 -2.747) 7.293 1.750 ( -1.634 -5.162 -2.636) 6.022 1.913 ( 5.383 -0.180 -6.546) 8.477 2.135 ( 0.806 -4.141 2.893) 5.116 2.239 ( -0.985 -3.627 -4.073) 5.542 2.263 ( 1.877 -1.043 -2.092) 2.998 2.307 ( -3.296 -1.317 2.327) 4.245 2.460 ( -0.004 -1.949 -7.719) 7.961 2.536 ( 1.100 -2.454 0.898) 2.835 2.585 ( 2.041 -0.869 2.157) 3.094 2.643 ( -3.284 0.386 4.300) 5.424 2.738 ( -0.274 -1.081 3.530) 3.702 2.783 ( 1.026 0.292 1.956) 2.228 2.888 ( 3.086 3.274 -0.216) 4.505 2.962 ( -2.911 6.819 -3.297) 8.115 3.040 ( 0.989 0.529 -0.293) 1.159 3.061 ( 0.428 2.878 -4.562) 5.411 3.082 ( -3.417 3.016 -2.121) 5.027 3.173 ( -0.618 1.657 -0.887) 1.978 3.284 ( -1.765 -0.867 -1.051) 2.230 3.342 ( -1.200 -3.962 0.369) 4.156 3.429 ( 2.543 -1.490 2.900) 4.135 3.436 ( -0.137 -2.926 0.979) 3.089 3.463 ( 0.808 0.602 2.495) 2.691 3.514 ( 1.560 -2.667 -2.528) 3.992 3.591 ( 3.342 -2.262 -2.242) 4.617 3.715 ( -2.915 -0.546 -1.911) 3.528 3.739 ( 1.285 7.138 0.489) 7.270 3.814 ( 1.735 0.823 -1.327) 2.334 3.866 ( -1.796 1.617 -2.316) 3.347 3.914 ( -2.085 6.005 0.801) 6.407 3.955 ( 3.807 0.142 2.809) 4.733 4.000 ( 2.585 0.849 -3.134) 4.150 4.166 ( -1.089 -8.627 1.906) 8.902 4.210 ( -3.381 -1.772 1.254) 4.018 4.297 ( 3.618 -2.122 3.168) 5.256 4.405 ( -5.059 -5.962 0.755) 7.855 4.535 ( 1.833 -8.065 4.881) 9.603 4.608 ( 0.456 2.572 3.959) 4.743 4.748 ( 0.603 -5.436 4.011) 6.782 4.811 ( -6.708 0.550 -5.798) 8.883 4.906 ( 4.033 0.243 -1.991) 4.504 4.937 ( 1.924 1.020 -0.358) 2.207 4.967 ( -0.210 0.121 2.588) 2.599 5.072 ( 0.611 0.976 -3.515) 3.699 5.219 ( 0.776 0.761 -2.333) 2.574 5.318 ( -0.435 1.153 -1.689) 2.090 5.343 ( -1.366 -6.196 -0.203) 6.348 5.367 ( -1.077 -4.386 -3.488) 5.707 5.637 ( 2.189 2.973 4.995) 6.211 5.708 ( -0.351 -0.050 -2.506) 2.531 5.825 ( 4.456 -5.790 -2.121) 7.608 5.875 ( -3.138 -0.747 2.518) 4.092 6.067 ( -0.158 0.404 2.892) 2.925 6.230 ( 0.730 -1.705 5.156) 5.480 6.309 ( 2.829 -1.108 2.171) 3.734 6.329 ( 1.282 1.680 -2.552) 3.313 6.514 ( 3.220 1.606 -2.209) 4.223 6.546 ( -6.423 -0.448 -0.171) 6.441 6.595 ( 1.926 3.173 -3.505) 5.105 6.731 ( -6.397 4.948 0.395) 8.097 6.806 ( 6.409 4.221 -1.525) 7.824 6.878 ( -5.849 5.641 0.458) 8.139 7.060 ( 9.203 -8.336 -5.357) 13.523 7.137 ( -0.251 -0.816 -4.330) 4.413 7.221 ( -2.571 -1.680 2.836) 4.180 7.307 ( -0.733 5.595 1.415) 5.818 7.461 ( -8.414 3.942 -1.446) 9.404 7.481 ( -1.229 4.987 -3.893) 6.445 7.581 ( 3.620 5.725 1.423) 6.922 7.710 ( -3.539 -0.578 -1.501) 3.887 7.761 ( -7.461 -1.470 4.531) 8.852 7.881 ( 5.088 -5.986 5.865) 9.804 7.960 ( -0.069 0.415 -6.803) 6.816 8.062 ( 1.532 -6.790 3.346) 7.723 8.107 ( 1.620 -6.734 1.562) 7.101 8.387 ( 2.887 -4.710 0.465) 5.543 8.544 ( -3.560 6.194 -1.621) 7.326 8.604 ( 0.067 6.001 2.544) 6.518 8.732 ( 0.351 7.635 0.599) 7.667 8.835 ( 4.409 -1.301 0.604) 4.636 9.002 ( -5.662 -1.779 2.487) 6.435 9.023 ( 3.128 -2.190 0.605) 3.866 9.167 ( -2.876 -1.936 0.434) 3.494 9.235 ( -1.522 1.720 2.855) 3.664 9.320 ( 0.575 3.183 -1.188) 3.446 9.411 ( 0.461 1.303 -1.628) 2.136 9.467 ( 4.652 1.587 2.574) 5.548 9.516 ( 3.909 2.496 1.423) 4.851 9.636 ( 2.074 1.934 4.582) 5.388 9.721 ( -2.563 4.501 -9.056) 10.432 9.795 ( -1.655 -2.436 -4.057) 5.013 9.869 ( -0.147 3.576 -3.035) 4.692 9.927 ( -3.213 -5.864 -5.033) 8.369 9.999 ( -7.213 2.657 -0.152) 7.688 10.036 ( -8.935 -1.110 -3.035) 9.501 10.156 ( 0.707 -4.808 2.671) 5.545 10.177 ( -1.086 -1.936 3.417) 4.075 10.324 ( 8.774 0.358 7.579) 11.599 10.507 ( 3.884 5.154 0.429) 6.468 10.644 ( -2.188 -3.279 8.578) 9.440 10.652 ( -10.191 2.659 -0.256) 10.536 10.716 ( -4.828 3.298 -0.449) 5.865 10.956 ( 2.151 -5.203 2.346) 6.099 11.020 ( -3.139 -0.556 -4.163) 5.244 11.120 ( 4.527 1.042 5.712) 7.362 11.273 ( 1.857 3.259 3.831) 5.362 11.343 ( 5.145 -2.176 -5.573) 7.891 11.474 ( 1.348 -13.341 -2.809) 13.700 11.503 ( 4.580 0.219 0.769) 4.649 11.600 ( 0.980 -3.884 -3.811) 5.529 11.724 ( 4.721 3.052 -3.598) 6.674 11.801 ( -0.440 -4.717 -1.999) 5.143 11.903 ( -1.758 2.213 -1.064) 3.020 11.925 ( -3.222 1.150 0.024) 3.421 12.017 ( 9.832 -1.720 -4.707) 11.036 12.079 ( -4.635 2.165 -2.330) 5.621 12.119 ( 1.197 11.063 -6.429) 12.851 12.171 ( 1.163 1.683 1.925) 2.810 12.237 ( -0.166 -2.430 1.077) 2.663 12.324 ( 1.557 -3.054 1.751) 3.849 12.536 ( -4.370 0.594 -1.555) 4.677 12.593 ( 0.332 -1.680 -3.105) 3.546 12.679 ( -2.693 3.938 -2.070) 5.201 12.702 ( -0.753 -1.685 -3.230) 3.720 12.866 ( 0.586 8.005 -6.858) 10.557 12.894 ( 1.113 1.336 -2.936) 3.413 13.318 ( 1.286 -7.138 4.554) 8.563 13.411 ( 2.169 -2.363 1.029) 3.368 13.610 ( 2.637 -6.407 1.047) 7.007 13.643 ( 5.939 -3.786 4.028) 8.114 13.875 ( 1.978 -4.327 -4.880) 6.815 13.949 ( 3.835 3.344 -15.878) 16.674 14.002 ( -4.789 0.978 0.589) 4.923 14.147 ( 3.817 3.518 -5.053) 7.244 14.210 ( -1.453 6.179 8.264) 10.421 14.337 ( -4.309 -0.692 2.428) 4.994 14.809 ( -2.969 1.176 2.318) 3.946 14.972 ( -0.390 2.710 1.732) 3.240 15.095 ( -0.876 2.199 10.043) 10.319 15.310 ( -1.220 3.005 1.231) 3.469 15.580 ( -2.084 -5.624 4.122) 7.277 15.786 ( -3.060 -11.395 8.808) 14.724 15.843 ( -0.007 3.597 -0.403) 3.619 16.076 ( 1.097 -1.669 -1.092) 2.276 16.535 ( 0.184 1.472 4.617) 4.850 16.723 ( 0.547 -3.471 2.272) 4.185 16.856 ( 0.727 1.778 -3.009) 3.570 16.925 ( -0.447 0.863 -3.076) 3.226 20.434 ( 1.059 1.547 -0.678) 1.993 20.496 ( 3.363 4.142 -4.973) 7.294 20.613 ( -5.750 -1.381 0.459) 5.931 20.688 ( -1.510 -2.377 -1.540) 3.210 21.259 ( -0.363 3.507 2.070) 4.088 21.372 ( 1.522 2.492 -0.859) 3.044 21.409 ( -0.939 3.344 1.654) 3.847 21.577 ( -2.138 -0.593 -1.373) 2.609 21.699 ( 0.561 7.111 0.179) 7.135 22.050 ( -2.787 14.081 -11.758) 18.555 22.135 ( 0.414 3.017 -1.910) 3.595 22.266 ( 0.309 5.019 -0.395) 5.044 22.539 ( -1.549 3.491 -1.532) 4.115 22.554 ( 1.812 3.129 -1.634) 3.967 23.214 ( 2.653 -12.784 0.729) 13.077 23.371 ( 1.901 -1.088 -1.225) 2.510 23.445 ( 1.369 -1.193 -1.366) 2.272 23.579 ( 1.615 -4.020 -4.033) 5.919 23.630 ( -1.702 0.125 -3.479) 3.875 23.680 ( -2.354 -1.899 -3.302) 4.477 24.143 ( 0.493 1.747 9.570) 9.741 24.426 ( 2.392 -13.323 5.441) 14.588 25.054 ( 3.958 -1.920 18.628) 19.141 25.558 ( 2.840 -2.347 -5.000) 6.211 25.810 ( -0.028 0.242 0.082) 0.257 25.826 ( -0.438 0.040 -0.438) 0.620 25.838 ( -1.942 -0.516 0.553) 2.084 25.863 ( -3.672 -1.184 -0.567) 3.899 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 13.244 13.170 8.962) 20.717 1.169 ( 19.418 10.077 19.360) 29.213 1.372 ( -5.540 2.369 -11.876) 13.317 1.742 ( -1.165 -4.607 3.774) 6.068 1.936 ( 20.085 23.155 9.703) 32.151 2.021 ( 10.344 0.300 -8.578) 13.441 2.179 ( 3.943 2.194 2.423) 5.122 2.245 ( 0.277 2.057 -3.870) 4.391 2.253 ( 4.473 -4.286 -6.104) 8.697 2.331 ( 3.228 -0.226 5.084) 6.027 2.509 ( 7.163 -4.763 -3.744) 9.382 2.568 ( 3.724 -3.932 -3.517) 6.457 2.634 ( 3.530 2.002 6.914) 8.017 2.701 ( 1.463 -1.892 2.111) 3.190 2.792 ( 1.892 0.426 5.091) 5.448 2.816 ( 1.238 1.482 -0.441) 1.980 2.871 ( -3.283 5.486 -3.450) 7.265 2.918 ( 0.337 2.350 1.680) 2.909 3.006 ( -0.651 1.365 -2.515) 2.935 3.019 ( -0.921 2.756 -0.217) 2.914 3.104 ( 2.607 4.555 0.349) 5.260 3.202 ( 0.531 -1.997 3.006) 3.648 3.255 ( -2.106 -3.187 -2.208) 4.412 3.361 ( 3.821 0.427 -1.614) 4.170 3.390 ( -0.366 -6.738 3.347) 7.532 3.408 ( -5.695 -2.129 -2.000) 6.400 3.475 ( 0.329 -1.781 -2.827) 3.357 3.541 ( 2.819 0.452 -0.033) 2.855 3.605 ( 0.056 2.064 3.729) 4.262 3.683 ( 1.927 0.942 -6.146) 6.510 3.779 ( -4.272 2.733 0.446) 5.091 3.789 ( 3.726 8.020 -4.742) 10.035 3.830 ( -1.972 9.719 2.499) 10.227 3.920 ( 5.486 -2.382 -4.957) 7.768 4.032 ( 3.886 -2.764 -1.892) 5.131 4.080 ( 5.559 -2.104 -0.387) 5.956 4.147 ( -4.159 3.530 2.636) 6.059 4.262 ( 3.604 0.147 3.557) 5.066 4.351 ( 4.163 -8.099 5.005) 10.391 4.494 ( 6.752 -1.452 -0.378) 6.917 4.607 ( -0.337 -4.969 5.173) 7.181 4.640 ( -3.290 2.389 -9.484) 10.319 4.661 ( -0.024 0.782 4.497) 4.565 4.783 ( 1.964 -5.282 2.994) 6.381 4.902 ( 0.507 -1.723 -4.547) 4.889 4.956 ( -0.788 -2.834 2.150) 3.643 5.029 ( 2.215 -1.265 -1.553) 2.986 5.094 ( 3.600 0.088 -1.949) 4.095 5.207 ( -1.525 -3.768 -1.398) 4.299 5.281 ( -0.628 -1.023 -1.578) 1.982 5.317 ( 1.289 -3.070 -4.459) 5.565 5.390 ( 4.563 -1.045 0.167) 4.684 5.599 ( -7.844 2.286 1.652) 8.335 5.709 ( -8.591 -3.296 -7.737) 12.022 5.718 ( 1.281 0.270 1.570) 2.044 5.896 ( -0.504 -5.419 0.771) 5.496 6.048 ( -4.878 0.088 1.434) 5.085 6.197 ( -6.696 -0.307 5.442) 8.634 6.224 ( -9.376 1.550 -2.919) 9.941 6.257 ( -8.361 0.042 3.154) 8.937 6.349 ( -9.519 2.231 -1.471) 9.887 6.511 ( -4.705 6.954 -0.519) 8.413 6.584 ( -4.923 -0.872 0.063) 5.000 6.657 ( 1.791 3.837 -0.891) 4.327 6.767 ( -4.730 1.467 -2.056) 5.362 6.976 ( 8.377 1.360 -2.435) 8.829 7.027 ( -13.150 -0.016 -1.601) 13.247 7.136 ( -0.677 -0.212 -0.253) 0.753 7.229 ( 2.982 0.812 -0.311) 3.106 7.303 ( 5.124 5.819 -1.347) 7.869 7.350 ( -4.637 8.518 -3.890) 10.450 7.430 ( 6.277 3.374 2.422) 7.526 7.653 ( -0.200 1.697 4.944) 5.231 7.712 ( 3.516 -0.551 2.196) 4.182 7.758 ( 6.282 -2.313 0.676) 6.728 7.911 ( 0.832 -7.554 0.616) 7.625 8.001 ( 1.131 -6.623 -1.365) 6.856 8.116 ( -0.655 -4.859 -1.022) 5.009 8.181 ( 3.056 -3.341 6.804) 8.172 8.301 ( -5.506 -0.271 -1.424) 5.694 8.502 ( -2.746 0.919 5.669) 6.366 8.593 ( -3.562 8.464 6.179) 11.068 8.716 ( -2.268 4.531 0.105) 5.068 8.744 ( -5.886 -2.223 4.409) 7.683 8.979 ( -3.320 -0.463 -3.070) 4.546 9.097 ( 1.372 1.470 0.966) 2.231 9.132 ( -0.854 -2.489 -3.846) 4.660 9.245 ( 2.919 2.149 5.707) 6.761 9.280 ( -0.382 4.273 0.265) 4.298 9.425 ( -6.248 -1.849 -0.852) 6.571 9.510 ( 5.180 1.581 -3.819) 6.627 9.561 ( -4.328 -2.387 0.981) 5.039 9.611 ( 3.476 2.051 -0.544) 4.072 9.662 ( -12.202 3.448 -2.283) 12.884 9.684 ( -1.811 4.858 0.806) 5.247 9.798 ( 2.466 -2.034 -4.915) 5.863 9.861 ( 2.865 0.764 8.190) 8.711 9.928 ( 1.235 2.789 -4.473) 5.414 10.042 ( 4.832 3.633 2.614) 6.587 10.190 ( 2.289 -1.469 -2.236) 3.521 10.279 ( 1.388 -1.602 3.622) 4.197 10.386 ( -5.567 0.201 3.097) 6.374 10.460 ( -1.054 -2.281 -3.572) 4.367 10.511 ( -3.061 -0.157 -0.213) 3.072 10.639 ( -1.251 7.500 3.352) 8.310 10.701 ( 1.353 1.406 -1.061) 2.221 10.967 ( -1.363 0.026 -4.120) 4.339 11.010 ( -0.704 -5.433 2.483) 6.015 11.228 ( -3.645 -7.233 3.120) 8.679 11.329 ( 3.530 0.885 -0.557) 3.682 11.374 ( 2.912 3.133 5.673) 7.104 11.492 ( -2.860 -6.921 0.684) 7.520 11.557 ( 0.158 -2.123 -3.547) 4.137 11.577 ( -1.626 -4.964 -6.149) 8.068 11.753 ( -1.416 2.533 -2.424) 3.781 11.768 ( -4.738 -0.137 -2.671) 5.441 11.849 ( 2.445 -3.977 -1.700) 4.968 11.964 ( 11.559 -0.429 4.535) 12.424 12.009 ( 0.999 0.566 -3.902) 4.067 12.164 ( 7.127 -1.511 -2.411) 7.674 12.280 ( 6.540 -0.589 -2.218) 6.932 12.291 ( 9.468 1.139 6.668) 11.636 12.330 ( 8.232 -2.791 -3.522) 9.378 12.416 ( 5.695 -5.760 -5.219) 9.635 12.518 ( 1.283 -2.466 3.248) 4.275 12.618 ( -0.143 2.119 -5.659) 6.044 12.670 ( 10.160 0.391 -3.089) 10.626 12.709 ( 4.801 -0.100 -3.055) 5.691 12.852 ( 2.852 11.591 -6.249) 13.473 12.904 ( 2.543 3.074 -3.956) 5.618 13.403 ( 7.336 -2.997 -0.992) 7.986 13.508 ( 4.276 -10.663 0.404) 11.495 13.668 ( 2.679 -4.335 -0.146) 5.098 13.772 ( 4.347 -6.023 1.590) 7.596 13.856 ( 0.202 -3.864 -7.051) 8.043 13.929 ( 2.611 1.355 -6.093) 6.766 13.996 ( 6.734 5.646 -9.331) 12.817 14.184 ( 2.247 4.191 -1.241) 4.914 14.291 ( 4.509 -0.135 5.125) 6.827 14.372 ( 5.871 -4.148 4.128) 8.290 14.759 ( -4.971 3.249 5.367) 8.005 14.935 ( -3.934 4.071 -0.311) 5.670 15.109 ( -4.265 3.418 9.375) 10.852 15.266 ( -3.937 2.570 -0.125) 4.703 15.543 ( -4.954 -4.848 4.637) 8.339 15.736 ( -5.630 -5.008 3.337) 8.241 15.842 ( -0.161 2.296 0.306) 2.322 16.079 ( -0.058 -2.321 -0.896) 2.488 16.515 ( -5.433 1.397 4.991) 7.509 16.701 ( -4.138 -3.631 3.070) 6.303 16.787 ( -5.054 2.195 -3.884) 6.742 16.845 ( -5.555 0.286 -2.436) 6.072 20.424 ( -1.614 3.021 -1.476) 3.729 20.482 ( 1.079 3.105 -1.467) 3.599 20.642 ( 0.901 -4.487 -0.688) 4.628 20.703 ( 6.749 -3.923 -2.264) 8.128 21.254 ( -0.900 5.471 2.279) 5.995 21.391 ( 1.011 5.558 -1.994) 5.991 21.465 ( 5.360 1.909 1.482) 5.879 21.572 ( 3.118 1.211 -1.980) 3.887 21.754 ( 4.264 9.501 1.717) 10.555 21.936 ( -0.945 12.693 -7.193) 14.620 22.162 ( 0.377 -0.882 2.294) 2.487 22.235 ( -3.646 2.243 -0.033) 4.281 22.519 ( 0.395 2.391 -0.158) 2.429 22.599 ( 2.857 -0.332 1.118) 3.086 23.218 ( -3.664 -14.435 1.714) 14.992 23.362 ( -2.760 -7.535 -3.932) 8.936 23.446 ( 0.408 1.572 -0.617) 1.737 23.586 ( 0.404 -2.612 -2.719) 3.792 23.601 ( 2.979 1.203 -5.472) 6.345 23.630 ( 0.880 -0.234 -2.878) 3.019 24.083 ( -11.294 3.001 11.959) 16.721 24.362 ( -8.797 -9.064 4.520) 13.416 24.983 ( -17.802 5.390 15.838) 24.429 25.331 ( -14.811 0.983 -4.322) 15.460 25.834 ( 2.335 0.159 -0.038) 2.341 25.842 ( 2.817 0.640 -0.253) 2.899 25.907 ( 4.428 -2.030 1.524) 5.104 25.985 ( 9.649 -3.876 -4.474) 11.320 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 7.496 2.418 -0.546) 7.895 1.364 ( 11.944 13.977 -3.023) 18.632 1.658 ( 19.263 3.818 16.844) 25.871 1.731 ( -0.504 -7.432 3.984) 8.448 2.089 ( 0.909 3.597 1.049) 3.855 2.184 ( 8.536 0.536 -11.524) 14.351 2.233 ( 3.408 -0.897 -6.125) 7.067 2.303 ( 2.496 1.281 -0.143) 2.809 2.359 ( 9.197 -1.613 2.762) 9.737 2.520 ( 10.394 -0.048 -1.546) 10.509 2.579 ( 4.782 -3.094 -2.318) 6.149 2.614 ( -8.414 2.993 0.240) 8.934 2.649 ( 3.034 -2.150 -4.327) 5.705 2.699 ( -2.408 0.281 -2.420) 3.426 2.784 ( 1.714 -1.335 0.618) 2.259 2.837 ( -6.171 -3.260 -1.282) 7.096 2.873 ( 0.071 1.069 3.174) 3.349 2.915 ( 1.363 -0.316 2.967) 3.280 2.962 ( -0.064 -0.089 -1.674) 1.678 3.145 ( -0.597 0.303 3.391) 3.456 3.157 ( 10.426 0.633 4.371) 11.323 3.253 ( 4.905 -0.100 3.459) 6.003 3.302 ( 3.380 5.341 1.005) 6.400 3.346 ( 5.416 2.252 4.327) 7.289 3.382 ( -0.319 -2.210 4.225) 4.779 3.412 ( -1.773 -1.271 -3.400) 4.040 3.518 ( 6.616 1.539 -0.413) 6.805 3.568 ( 3.270 -0.976 0.601) 3.465 3.645 ( -0.452 4.307 0.589) 4.370 3.696 ( 2.498 4.234 -0.650) 4.958 3.733 ( 2.202 4.398 -2.821) 5.670 3.782 ( -1.930 4.581 0.270) 4.978 3.879 ( 4.881 5.764 -2.094) 7.838 3.979 ( 4.191 2.147 -7.646) 8.979 4.023 ( -4.594 0.248 -1.745) 4.920 4.101 ( 3.678 -2.257 0.037) 4.315 4.221 ( 7.059 3.591 -0.276) 7.925 4.338 ( 0.678 -0.188 6.723) 6.759 4.444 ( 1.934 0.359 3.967) 4.427 4.565 ( 0.493 1.458 -2.374) 2.829 4.586 ( -1.837 -1.832 -2.662) 3.717 4.636 ( 1.965 -3.116 8.363) 9.138 4.648 ( -2.458 1.327 -0.683) 2.876 4.794 ( 0.426 -2.170 -1.032) 2.441 4.930 ( 3.423 -4.789 -2.952) 6.585 4.956 ( -8.285 -4.591 2.442) 9.781 4.992 ( -0.289 -4.491 -0.629) 4.544 5.056 ( -4.746 -3.622 1.883) 6.260 5.188 ( 2.895 -1.356 -7.276) 7.947 5.279 ( 2.702 -1.817 -1.771) 3.707 5.331 ( -3.332 -1.278 -5.580) 6.623 5.471 ( 0.236 0.582 -1.202) 1.356 5.473 ( 1.733 1.661 -5.065) 5.605 5.584 ( 3.347 5.773 2.186) 7.023 5.758 ( 1.747 -0.401 -0.081) 1.795 5.831 ( -4.888 -1.556 -3.158) 6.024 5.912 ( -9.628 0.253 -1.383) 9.730 5.963 ( -12.278 2.380 -0.165) 12.507 6.076 ( -11.689 -0.931 5.367) 12.896 6.143 ( -5.720 -1.208 2.436) 6.333 6.217 ( -4.239 3.757 1.404) 5.835 6.357 ( -8.683 9.389 -3.743) 13.325 6.494 ( -5.898 -4.230 3.337) 7.988 6.612 ( -11.387 -4.242 -3.526) 12.652 6.650 ( -5.220 7.452 0.471) 9.111 6.788 ( -3.830 4.920 0.179) 6.238 7.079 ( 3.744 -0.910 -1.875) 4.285 7.170 ( 3.112 -2.134 -0.425) 3.797 7.230 ( 1.689 2.590 2.126) 3.752 7.367 ( 8.692 6.176 -1.439) 10.760 7.516 ( 9.188 2.146 0.775) 9.467 7.543 ( 2.077 2.653 2.250) 4.052 7.690 ( 0.278 -2.359 2.681) 3.582 7.747 ( -2.040 -6.873 -2.257) 7.516 7.894 ( 7.888 -3.825 -0.111) 8.767 7.937 ( 0.740 -0.326 -0.763) 1.112 7.989 ( 4.473 -7.301 0.533) 8.579 8.096 ( 1.181 -2.954 1.726) 3.620 8.255 ( 0.421 -0.230 4.127) 4.155 8.272 ( -2.346 -1.417 2.469) 3.689 8.437 ( -7.544 1.917 4.627) 9.055 8.554 ( -5.479 5.606 7.680) 10.974 8.645 ( -5.871 -3.941 4.279) 8.265 8.717 ( 0.037 5.269 0.106) 5.270 8.845 ( -7.633 2.993 -0.282) 8.203 9.071 ( 1.442 -5.247 -8.665) 10.232 9.165 ( 2.053 -1.116 0.410) 2.372 9.278 ( 0.858 1.500 -4.271) 4.608 9.344 ( 1.976 -0.853 2.058) 2.978 9.384 ( -5.416 2.891 -2.783) 6.740 9.412 ( 2.279 0.789 1.495) 2.837 9.452 ( -4.869 -3.119 -2.207) 6.189 9.618 ( 4.005 2.218 1.048) 4.696 9.684 ( -0.687 4.575 2.917) 5.469 9.699 ( 2.151 4.304 4.812) 6.805 9.841 ( 3.491 2.705 -2.368) 5.011 9.935 ( 4.873 -1.285 -0.984) 5.135 9.981 ( 2.235 2.141 2.078) 3.728 10.140 ( -4.689 2.698 -3.078) 6.224 10.177 ( 0.812 -2.429 5.666) 6.218 10.220 ( -2.452 1.229 0.508) 2.790 10.348 ( 3.697 -4.042 -2.361) 5.965 10.449 ( -2.926 1.700 6.504) 7.332 10.504 ( 3.477 -3.114 -4.548) 6.517 10.676 ( 1.922 9.566 2.957) 10.195 10.753 ( 3.746 1.157 -2.677) 4.748 10.921 ( -0.708 -4.024 -1.304) 4.289 10.975 ( -2.137 -1.578 -0.524) 2.708 11.110 ( -7.985 -4.113 -0.086) 8.982 11.283 ( -8.640 -0.660 -1.334) 8.767 11.369 ( -5.039 3.375 2.036) 6.397 11.416 ( -6.109 -3.713 0.314) 7.156 11.461 ( -3.045 1.682 -6.015) 6.948 11.594 ( 0.812 -5.618 -2.628) 6.255 11.684 ( 1.903 -1.956 4.265) 5.063 11.771 ( -1.014 4.227 0.340) 4.360 11.917 ( 5.689 -4.140 0.389) 7.047 12.011 ( 0.625 1.381 1.076) 1.859 12.181 ( 7.068 -3.533 0.839) 7.946 12.287 ( 0.592 -1.048 -4.748) 4.898 12.391 ( 10.406 -3.076 1.115) 10.908 12.412 ( 6.638 -4.047 -2.483) 8.162 12.480 ( 6.188 -2.624 -1.955) 7.000 12.500 ( 6.998 -0.223 3.090) 7.653 12.577 ( 3.077 -3.278 3.302) 5.578 12.644 ( 6.158 4.226 -5.461) 9.252 12.742 ( 3.715 -5.303 -3.768) 7.491 12.865 ( 6.420 3.988 -2.287) 7.896 12.890 ( 5.169 6.415 -3.687) 9.026 12.949 ( 4.769 5.104 -2.077) 7.287 13.537 ( 2.531 -6.980 -7.239) 10.370 13.600 ( 10.783 -7.410 3.827) 13.632 13.698 ( 0.875 -2.544 -0.384) 2.717 13.767 ( 0.350 -10.281 -10.456) 14.668 13.867 ( 2.139 -0.887 -4.968) 5.481 13.935 ( 1.363 3.162 -0.934) 3.568 14.065 ( 8.420 6.591 -12.577) 16.508 14.233 ( 0.752 4.611 6.074) 7.663 14.393 ( 2.369 -1.325 5.064) 5.746 14.573 ( 9.172 -5.829 2.064) 11.062 14.708 ( -2.057 2.265 6.354) 7.052 14.844 ( -4.666 2.560 -0.277) 5.330 15.072 ( -5.744 4.497 7.687) 10.597 15.166 ( -5.766 3.590 -1.346) 6.925 15.459 ( -7.745 -1.565 6.517) 10.243 15.656 ( -3.962 -4.096 1.022) 5.789 15.839 ( 0.074 2.717 -0.776) 2.827 16.063 ( -0.953 -2.671 -1.168) 3.067 16.421 ( -7.281 1.401 4.366) 8.605 16.632 ( -4.935 -4.467 2.795) 7.219 16.654 ( -5.588 1.726 -3.975) 7.072 16.712 ( -6.037 -0.273 -2.566) 6.565 20.397 ( -0.376 1.998 -0.675) 2.142 20.494 ( 1.022 1.590 -2.035) 2.777 20.647 ( -0.032 -5.211 1.781) 5.507 20.815 ( 5.329 -7.587 -1.388) 9.375 21.275 ( 1.704 9.539 2.280) 9.955 21.408 ( 2.979 7.966 -2.628) 8.902 21.587 ( 5.904 -0.409 1.197) 6.038 21.661 ( 6.877 2.411 -0.775) 7.328 21.856 ( 4.760 10.713 2.323) 11.950 21.908 ( 0.361 3.610 -2.004) 4.145 22.134 ( -5.467 0.388 -0.050) 5.481 22.162 ( -2.465 3.788 0.491) 4.546 22.556 ( 3.683 -1.683 -0.488) 4.078 22.681 ( 5.432 -1.583 1.432) 5.837 23.101 ( -8.818 -10.785 -0.183) 13.933 23.214 ( -9.332 -9.212 -4.243) 13.782 23.448 ( 0.659 0.241 -2.447) 2.545 23.553 ( -1.017 -2.259 -2.915) 3.826 23.612 ( 3.121 3.029 -6.725) 8.009 23.734 ( 6.939 -0.971 1.076) 7.089 23.968 ( -8.122 3.942 12.412) 15.348 24.243 ( -6.169 -6.364 4.736) 10.049 24.729 ( -18.000 8.969 10.731) 22.794 25.008 ( -15.406 0.610 -7.131) 16.987 25.885 ( 2.942 0.052 -0.106) 2.945 25.902 ( 3.333 0.938 -0.338) 3.479 25.985 ( 2.218 -1.989 2.696) 4.018 26.095 ( 5.447 -3.841 -3.669) 7.608 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 5.536 3.063 6.976) 9.418 1.521 ( 4.411 2.174 -2.659) 5.591 1.859 ( 9.488 -2.411 1.583) 9.917 2.000 ( 4.247 -2.303 6.840) 8.374 2.144 ( 0.717 4.909 2.178) 5.419 2.232 ( -3.465 2.858 0.587) 4.530 2.277 ( 0.499 5.441 2.383) 5.961 2.297 ( 9.680 -2.990 -2.019) 10.330 2.337 ( -10.421 3.406 -3.291) 11.447 2.494 ( 1.812 -2.744 1.056) 3.454 2.576 ( -2.024 -4.898 -0.671) 5.342 2.645 ( 2.301 -0.947 -3.073) 3.954 2.693 ( 3.256 -5.091 1.085) 6.140 2.733 ( 2.845 -2.202 -0.363) 3.616 2.779 ( 4.753 -4.869 0.891) 6.863 2.782 ( -1.448 -3.215 1.041) 3.676 2.926 ( 6.361 -0.517 -0.645) 6.415 2.994 ( 2.115 -0.352 -3.376) 3.999 3.002 ( 4.101 1.810 3.396) 5.624 3.121 ( -2.562 -1.423 2.448) 3.819 3.157 ( -3.852 0.471 2.045) 4.387 3.241 ( -5.699 -3.074 -2.817) 7.062 3.315 ( -1.161 0.254 -2.619) 2.876 3.374 ( 1.056 1.265 0.638) 1.767 3.458 ( 2.583 1.330 2.275) 3.690 3.536 ( 0.462 8.061 1.290) 8.176 3.567 ( -0.627 3.647 -1.438) 3.970 3.673 ( -3.721 3.243 -2.101) 5.365 3.693 ( 0.547 4.055 -1.600) 4.394 3.746 ( 4.558 4.017 -0.384) 6.088 3.800 ( 3.700 2.731 3.454) 5.751 3.844 ( 15.998 4.123 7.826) 18.281 3.890 ( -2.144 6.857 -2.129) 7.493 4.017 ( 7.570 0.710 -1.232) 7.702 4.048 ( 2.291 -2.263 -3.621) 4.846 4.162 ( 3.636 -3.932 0.483) 5.377 4.302 ( -4.999 2.079 -1.587) 5.641 4.339 ( -7.422 -0.101 1.046) 7.496 4.422 ( -3.422 2.110 2.425) 4.695 4.475 ( -2.278 1.999 5.065) 5.902 4.543 ( -6.876 6.039 -6.818) 11.412 4.549 ( -0.106 -1.993 -0.352) 2.027 4.622 ( -3.520 -0.828 1.983) 4.124 4.793 ( -2.472 2.313 -3.449) 4.833 4.924 ( 5.927 -4.209 1.277) 7.380 4.967 ( 2.453 -3.871 1.595) 4.852 5.025 ( -1.265 -2.325 4.766) 5.451 5.057 ( 4.661 -1.447 -5.598) 7.427 5.186 ( 0.380 -5.104 3.124) 5.996 5.195 ( 4.215 -3.815 -7.428) 9.354 5.364 ( 4.714 2.466 -5.288) 7.501 5.494 ( -3.133 2.272 -0.825) 3.957 5.529 ( 2.472 4.498 0.947) 5.219 5.613 ( -1.729 0.546 0.930) 2.038 5.654 ( -6.910 2.035 -0.275) 7.208 5.727 ( 0.447 5.375 -0.241) 5.399 5.848 ( -0.695 1.563 -0.420) 1.762 5.896 ( 0.053 -0.849 -1.671) 1.875 5.956 ( 0.318 2.191 3.100) 3.809 6.037 ( -4.721 -1.715 1.227) 5.170 6.128 ( -7.582 3.897 -0.575) 8.544 6.232 ( -1.728 4.269 1.016) 4.716 6.371 ( -7.983 -2.713 -1.886) 8.639 6.422 ( -3.601 -3.161 0.212) 4.796 6.580 ( -2.814 6.984 1.389) 7.657 6.767 ( -0.233 3.592 -1.171) 3.786 7.137 ( 3.224 -3.886 -0.771) 5.107 7.284 ( 3.776 -2.103 2.746) 5.121 7.293 ( 6.043 -4.157 -0.836) 7.382 7.447 ( -5.168 -1.820 -6.534) 8.527 7.510 ( 1.950 1.430 -0.683) 2.512 7.528 ( -3.198 1.402 1.364) 3.749 7.749 ( 5.211 -5.299 4.210) 8.541 7.815 ( 4.094 -1.588 4.507) 6.292 7.952 ( -0.931 0.898 -0.106) 1.297 8.002 ( 3.736 -2.255 1.933) 4.773 8.082 ( -1.344 -4.858 2.730) 5.732 8.174 ( 5.538 -4.594 2.212) 7.528 8.200 ( -4.221 0.835 0.917) 4.400 8.255 ( 0.536 3.835 -3.418) 5.166 8.338 ( -4.045 1.209 3.203) 5.300 8.493 ( -6.067 2.058 6.735) 9.295 8.590 ( -4.058 -2.980 4.303) 6.623 8.676 ( -5.879 1.127 3.992) 7.195 8.774 ( 1.765 7.926 -0.536) 8.138 9.069 ( 4.045 -3.789 -9.181) 10.724 9.173 ( 0.616 0.340 -3.906) 3.969 9.252 ( -0.157 2.321 -2.765) 3.613 9.275 ( -2.990 -0.300 0.193) 3.011 9.377 ( 0.634 -4.100 -0.305) 4.160 9.426 ( 2.086 3.357 -1.157) 4.118 9.501 ( 0.579 0.677 6.002) 6.067 9.611 ( -1.422 -2.507 -5.394) 6.116 9.738 ( 1.075 2.550 6.680) 7.231 9.766 ( 0.140 6.051 5.812) 8.392 9.890 ( 2.865 5.640 -2.133) 6.676 9.968 ( 1.338 5.983 -4.735) 7.746 10.021 ( 0.334 -4.031 2.840) 4.943 10.098 ( -0.930 -3.105 2.540) 4.118 10.137 ( 1.582 -3.118 3.941) 5.269 10.250 ( -1.622 0.232 3.546) 3.906 10.407 ( -1.506 -4.729 2.554) 5.582 10.434 ( 1.821 3.302 -4.598) 5.946 10.584 ( 5.141 3.540 -0.330) 6.250 10.698 ( -3.306 5.631 1.695) 6.746 10.754 ( 1.531 -4.452 -4.838) 6.751 10.925 ( -0.666 -2.313 4.162) 4.808 10.976 ( 3.395 -2.609 -3.326) 5.421 11.001 ( -1.851 -2.149 -1.371) 3.150 11.140 ( -2.942 -4.939 -0.602) 5.781 11.262 ( -4.967 3.108 -1.656) 6.089 11.293 ( -5.035 3.539 -2.848) 6.782 11.390 ( 0.173 0.556 -7.651) 7.673 11.555 ( -2.848 -7.951 -1.719) 8.618 11.703 ( -4.179 2.261 1.104) 4.878 11.763 ( 0.358 5.871 4.676) 7.514 11.985 ( -0.512 -4.625 1.172) 4.798 12.085 ( 2.698 0.246 8.106) 8.547 12.249 ( 1.210 -3.520 -3.607) 5.183 12.279 ( 2.109 2.617 1.193) 3.566 12.473 ( 5.637 -9.072 -1.521) 10.789 12.527 ( 3.799 -0.518 -3.247) 5.025 12.575 ( -0.019 1.062 0.784) 1.320 12.642 ( 4.838 -3.950 -2.024) 6.566 12.660 ( 4.243 -2.047 -0.574) 4.746 12.699 ( 2.598 0.486 -2.022) 3.328 12.801 ( 4.054 -4.456 0.051) 6.024 12.901 ( -0.937 2.786 2.001) 3.556 12.981 ( 4.681 5.174 2.420) 7.385 13.063 ( 7.285 6.673 -0.638) 9.900 13.534 ( 2.525 -2.814 -9.444) 10.173 13.646 ( -0.654 -10.689 -2.465) 10.989 13.714 ( 0.813 -1.292 -15.117) 15.194 13.786 ( -0.341 2.751 -6.574) 7.135 13.843 ( 7.140 -5.163 -1.303) 8.907 13.966 ( 0.208 1.971 2.180) 2.946 14.140 ( 2.845 8.420 -4.913) 10.156 14.268 ( 1.334 0.241 4.970) 5.151 14.399 ( -5.117 -5.855 2.990) 8.331 14.632 ( 1.403 -1.324 3.079) 3.633 14.764 ( -3.867 -2.227 -1.602) 4.741 14.861 ( 6.192 -1.454 2.803) 6.950 15.000 ( -3.674 5.961 6.622) 9.638 15.084 ( -2.714 5.750 2.571) 6.859 15.367 ( -6.387 1.348 7.779) 10.155 15.615 ( -1.223 -5.020 1.686) 5.435 15.838 ( 0.542 3.108 -1.066) 3.330 16.035 ( -0.622 -2.121 -2.237) 3.145 16.323 ( -5.152 1.412 2.402) 5.857 16.555 ( -1.543 0.516 -3.966) 4.287 16.572 ( -2.939 -4.634 1.716) 5.749 16.627 ( -1.156 -0.791 -1.238) 1.869 20.397 ( 0.381 1.291 0.022) 1.346 20.493 ( 0.519 1.117 -2.591) 2.869 20.669 ( 0.197 -6.095 4.521) 7.591 20.876 ( 2.009 -9.155 0.174) 9.374 21.334 ( 1.984 11.665 2.780) 12.155 21.460 ( 3.350 8.763 -1.544) 9.507 21.678 ( 2.521 -1.771 2.098) 3.727 21.788 ( 6.054 4.681 0.088) 7.653 21.904 ( 0.491 -0.381 -0.584) 0.852 21.923 ( -0.702 2.134 -0.439) 2.289 22.065 ( 0.264 6.936 2.491) 7.375 22.107 ( -3.685 6.289 0.348) 7.297 22.626 ( 3.954 -6.983 -2.661) 8.454 22.819 ( 7.328 -1.413 -0.193) 7.465 22.911 ( -10.176 -7.088 -2.659) 12.683 23.023 ( -6.187 -5.917 -0.894) 8.608 23.438 ( 0.415 -1.438 -3.367) 3.685 23.524 ( 0.119 -1.819 -2.835) 3.371 23.613 ( 1.016 2.818 -5.883) 6.602 23.800 ( -0.392 -3.757 0.679) 3.838 23.967 ( -1.040 5.423 7.200) 9.074 24.208 ( -2.990 -3.165 6.086) 7.484 24.486 ( -12.454 8.236 4.831) 15.693 24.746 ( -4.436 -0.269 -6.365) 7.763 25.928 ( 1.389 -0.058 -0.079) 1.393 25.947 ( 1.710 0.826 -0.558) 1.980 26.018 ( -0.575 -1.314 2.551) 2.927 26.151 ( 2.860 -3.447 -2.263) 5.019 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 0.350 -0.642 7.811) 7.845 1.534 ( -2.332 0.902 -1.920) 3.152 1.785 ( -19.388 1.033 2.525) 19.579 1.918 ( -10.870 4.733 4.027) 12.521 1.993 ( -12.665 5.375 1.181) 13.809 2.165 ( 8.708 1.369 -2.394) 9.135 2.378 ( 5.524 -3.880 3.337) 7.530 2.449 ( 3.646 0.831 1.329) 3.969 2.483 ( 1.868 -5.313 -3.048) 6.404 2.548 ( 4.478 -2.817 3.529) 6.359 2.557 ( 7.042 0.614 0.928) 7.130 2.652 ( -0.635 0.590 1.714) 1.921 2.741 ( -1.016 -2.930 -0.597) 3.159 2.783 ( 3.081 -3.833 0.457) 4.939 2.790 ( 2.727 -2.761 -0.956) 3.996 2.865 ( 1.532 -2.176 3.209) 4.169 2.944 ( -3.348 0.339 0.190) 3.371 2.972 ( -2.499 -2.181 0.999) 3.464 3.064 ( -6.528 -0.744 -1.045) 6.653 3.084 ( -4.272 1.841 -1.453) 4.873 3.131 ( 2.141 -1.073 -4.025) 4.684 3.211 ( 4.916 1.876 5.853) 7.870 3.260 ( -3.640 -1.089 0.824) 3.888 3.359 ( -0.412 1.651 -2.620) 3.124 3.403 ( -12.954 4.367 1.227) 13.725 3.450 ( -1.743 -1.146 -1.259) 2.436 3.568 ( -3.335 4.243 -3.279) 6.315 3.616 ( -6.041 8.290 -1.655) 10.390 3.644 ( -1.681 2.612 -0.201) 3.112 3.749 ( -6.577 5.766 1.056) 8.810 3.777 ( -6.565 7.012 0.538) 9.620 3.841 ( 2.284 0.347 1.146) 2.578 3.957 ( 3.928 1.158 2.804) 4.963 4.009 ( -1.061 -3.214 -0.202) 3.391 4.084 ( -3.744 0.908 -6.931) 7.930 4.190 ( 4.199 1.185 -0.125) 4.365 4.234 ( 1.286 0.579 -5.417) 5.597 4.336 ( 4.468 -2.242 -2.478) 5.579 4.414 ( -8.170 0.414 1.838) 8.384 4.462 ( -5.999 5.051 3.697) 8.670 4.498 ( -2.704 -2.188 2.707) 4.407 4.578 ( 11.698 1.677 7.233) 13.855 4.612 ( 3.280 -0.624 1.891) 3.837 4.729 ( -3.787 0.315 -0.196) 3.805 4.841 ( 0.924 -5.487 -8.520) 10.177 5.028 ( 0.774 -4.709 1.007) 4.877 5.101 ( -1.326 -3.049 0.290) 3.338 5.124 ( -8.422 0.437 -2.400) 8.768 5.216 ( 8.780 1.159 3.045) 9.365 5.264 ( 5.640 3.119 0.965) 6.517 5.410 ( 7.476 2.479 -6.057) 9.936 5.493 ( 6.692 0.406 -3.873) 7.743 5.575 ( 0.829 -0.667 2.631) 2.838 5.618 ( -0.939 0.454 1.921) 2.186 5.661 ( 6.645 2.092 4.057) 8.061 5.745 ( -4.047 4.832 0.322) 6.311 5.809 ( -3.369 7.995 -5.964) 10.528 5.870 ( 5.868 4.451 -1.526) 7.521 5.966 ( 2.764 -2.322 2.979) 4.680 6.014 ( 1.007 -5.492 3.013) 6.344 6.120 ( -6.874 -1.599 -4.092) 8.158 6.246 ( 13.705 4.021 1.753) 14.390 6.344 ( 1.000 -2.593 -1.077) 2.981 6.419 ( 6.754 0.740 -0.615) 6.822 6.592 ( 2.601 7.714 2.827) 8.617 6.749 ( -0.350 3.650 -1.964) 4.159 7.165 ( -0.784 -4.461 0.058) 4.530 7.235 ( -5.707 -2.011 -3.122) 6.809 7.275 ( -3.480 -1.871 1.453) 4.210 7.464 ( -3.445 4.827 -0.835) 5.988 7.480 ( 4.029 -3.583 -1.679) 5.647 7.594 ( 6.301 -0.304 0.932) 6.376 7.763 ( -4.180 -5.955 0.630) 7.303 7.863 ( -7.454 -0.469 3.044) 8.066 7.936 ( 2.205 -7.204 4.878) 8.975 8.000 ( -2.537 -3.423 0.801) 4.335 8.093 ( -2.359 -2.866 4.457) 5.800 8.140 ( -1.300 4.027 -0.282) 4.241 8.160 ( -3.118 -0.636 1.132) 3.377 8.296 ( -1.180 2.385 0.639) 2.737 8.393 ( 9.289 -1.027 -4.126) 10.216 8.443 ( -2.954 0.635 7.363) 7.959 8.507 ( -6.635 -1.408 5.201) 8.547 8.648 ( -0.981 -1.654 4.403) 4.805 8.857 ( 6.069 8.195 1.168) 10.265 9.079 ( 2.429 -0.898 -8.126) 8.529 9.175 ( 3.193 3.183 -5.399) 7.034 9.205 ( -1.383 3.058 -0.767) 3.443 9.298 ( 2.733 -1.372 0.141) 3.061 9.386 ( 0.209 -5.322 0.871) 5.397 9.422 ( -2.168 1.699 -1.118) 2.972 9.521 ( -1.644 0.446 -6.378) 6.602 9.555 ( 1.626 1.125 5.755) 6.086 9.741 ( -3.777 3.262 4.113) 6.467 9.832 ( 1.056 2.068 9.722) 9.996 9.910 ( 0.573 5.234 -0.314) 5.275 9.956 ( -1.171 1.209 -3.068) 3.500 10.017 ( -1.754 -4.206 0.649) 4.603 10.135 ( 3.172 0.354 -0.529) 3.235 10.189 ( -1.352 -1.233 5.346) 5.651 10.274 ( -9.247 1.931 2.358) 9.736 10.310 ( 3.446 -3.209 2.817) 5.487 10.454 ( 1.943 2.560 -5.605) 6.461 10.545 ( -3.522 8.555 -0.830) 9.289 10.701 ( -1.096 -1.985 2.455) 3.342 10.737 ( 0.248 -7.356 -5.022) 8.910 10.964 ( 2.592 -2.876 4.423) 5.879 10.973 ( 0.296 0.226 -1.344) 1.394 11.083 ( 6.641 -3.845 -1.271) 7.778 11.134 ( 0.437 0.525 -4.919) 4.966 11.219 ( 3.707 -1.575 0.963) 4.142 11.275 ( 4.317 4.971 -0.761) 6.628 11.373 ( 2.936 1.301 -5.945) 6.757 11.457 ( -1.374 -4.562 -7.671) 9.031 11.686 ( -2.560 -0.843 5.485) 6.112 11.761 ( -1.134 6.224 2.366) 6.755 11.952 ( -2.524 -5.609 -1.443) 6.317 12.127 ( -1.561 -1.266 4.486) 4.916 12.265 ( -1.489 2.444 5.732) 6.407 12.336 ( 3.243 -0.572 -1.956) 3.831 12.480 ( -5.898 -0.833 -0.584) 5.985 12.542 ( 0.141 -8.755 0.403) 8.766 12.556 ( -2.696 -3.056 -2.025) 4.551 12.582 ( -5.345 -4.373 -3.364) 7.682 12.670 ( -6.151 -1.613 -0.652) 6.392 12.747 ( 5.637 0.491 -1.968) 5.991 12.841 ( -0.813 -1.659 -0.259) 1.865 12.912 ( 0.705 -4.813 2.899) 5.663 13.073 ( 1.580 8.610 5.199) 10.181 13.161 ( 1.391 8.044 5.036) 9.592 13.483 ( -2.072 0.565 -10.685) 10.899 13.543 ( -3.885 3.584 -17.817) 18.585 13.641 ( 1.114 -6.411 -4.543) 7.936 13.784 ( 1.409 2.237 -12.241) 12.523 13.827 ( -1.220 1.523 -0.599) 2.041 14.038 ( 3.524 0.919 2.031) 4.170 14.154 ( -0.145 -0.320 2.927) 2.948 14.274 ( -5.371 -0.354 0.047) 5.383 14.348 ( -0.661 -9.573 2.478) 9.911 14.648 ( 1.940 -11.286 -3.803) 12.067 14.692 ( -2.278 0.579 1.313) 2.692 14.865 ( -3.570 0.904 5.276) 6.434 15.039 ( -1.709 6.855 5.903) 9.207 15.151 ( 6.762 5.260 2.821) 9.020 15.345 ( -1.760 2.289 9.799) 10.215 15.631 ( 0.987 -5.725 2.572) 6.353 15.846 ( 0.806 3.624 -0.677) 3.773 16.019 ( 1.110 -1.165 -3.456) 3.813 16.281 ( -0.073 1.394 0.833) 1.625 16.543 ( 1.052 -4.972 -0.507) 5.107 16.571 ( 3.800 -0.439 -2.182) 4.404 16.655 ( 4.305 -0.928 0.047) 4.405 20.408 ( 0.545 1.520 0.566) 1.711 20.478 ( -0.175 1.533 -2.902) 3.287 20.711 ( 0.520 -6.933 5.689) 8.983 20.904 ( 0.985 -10.793 0.525) 10.850 21.345 ( -3.221 9.973 2.606) 10.799 21.488 ( 0.029 8.465 -0.158) 8.467 21.710 ( -1.123 -2.786 3.322) 4.479 21.783 ( -5.983 1.445 0.043) 6.155 21.881 ( -1.819 0.530 -2.564) 3.188 21.971 ( 6.902 2.419 -0.581) 7.336 22.063 ( -0.565 7.181 2.605) 7.660 22.147 ( 3.831 8.945 3.324) 10.283 22.625 ( -2.183 -5.720 -1.956) 6.428 22.713 ( -6.796 -0.756 -5.333) 8.672 22.843 ( 0.057 -6.198 -3.370) 7.055 23.123 ( 12.457 0.546 -0.893) 12.501 23.423 ( -0.160 -1.031 -2.282) 2.509 23.522 ( 1.226 -1.438 -1.374) 2.336 23.588 ( 0.153 -1.729 -3.129) 3.578 23.778 ( -0.295 -5.556 -4.201) 6.972 23.916 ( -7.912 5.475 4.226) 10.509 24.137 ( -9.756 -2.692 9.785) 14.077 24.411 ( 4.656 11.585 -1.920) 12.632 24.828 ( 13.478 -1.835 -1.910) 13.736 25.928 ( -1.314 0.174 -0.084) 1.328 25.955 ( -0.473 0.241 -0.764) 0.930 25.998 ( -3.086 -0.575 2.074) 3.762 26.175 ( 1.012 -4.073 -1.319) 4.399 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -21.300 11.367 -1.272) 24.177 1.283 ( -20.743 8.461 2.847) 22.582 1.659 ( 1.663 -3.884 6.317) 7.600 1.777 ( -5.433 7.082 5.058) 10.259 1.874 ( -1.706 0.864 -0.014) 1.913 2.272 ( -11.692 -3.802 -1.670) 12.407 2.297 ( 2.645 -0.083 0.291) 2.663 2.348 ( -24.555 -0.309 1.479) 24.601 2.460 ( -8.885 -0.798 -3.737) 9.672 2.539 ( -2.322 0.133 -3.251) 3.997 2.581 ( -1.474 1.172 -0.586) 1.972 2.646 ( -3.536 -0.351 0.483) 3.586 2.711 ( -4.164 1.815 3.046) 5.469 2.742 ( -2.927 -1.532 -6.865) 7.619 2.806 ( 2.702 0.450 0.351) 2.761 2.853 ( -6.460 1.600 1.396) 6.800 2.889 ( -6.401 0.581 3.907) 7.521 2.926 ( -2.031 0.985 1.648) 2.795 2.969 ( 7.463 0.244 0.811) 7.510 3.083 ( 6.475 1.991 3.216) 7.499 3.101 ( 0.248 -0.286 -5.132) 5.146 3.232 ( 0.505 -3.279 0.317) 3.332 3.284 ( -1.616 -1.113 6.072) 6.381 3.327 ( -3.293 -3.439 0.346) 4.774 3.354 ( 2.155 0.011 -0.858) 2.320 3.432 ( -1.254 1.139 -3.245) 3.660 3.486 ( -0.374 3.026 4.370) 5.328 3.511 ( -0.304 -1.521 -1.400) 2.090 3.624 ( -1.819 5.418 -1.725) 5.970 3.666 ( -6.008 5.590 -2.699) 8.639 3.693 ( 0.667 4.874 -3.297) 5.922 3.840 ( -1.861 -1.019 -0.171) 2.129 3.950 ( -5.559 1.112 -1.613) 5.894 4.003 ( -0.923 1.233 1.950) 2.485 4.074 ( 0.269 2.630 -1.354) 2.970 4.097 ( -8.346 -1.172 -1.888) 8.637 4.211 ( -3.485 -2.490 -0.935) 4.384 4.260 ( -0.137 0.589 4.337) 4.379 4.424 ( -2.457 -1.084 2.665) 3.783 4.459 ( 3.713 0.678 -1.821) 4.191 4.516 ( 4.244 -5.312 3.907) 7.842 4.630 ( -0.796 3.297 1.710) 3.798 4.697 ( 2.230 -2.230 0.584) 3.207 4.862 ( 10.039 -2.249 0.740) 10.315 4.870 ( -3.103 -7.106 -0.625) 7.779 4.906 ( -1.726 -0.010 -3.852) 4.221 5.026 ( -0.250 -5.621 -1.413) 5.801 5.110 ( 1.829 0.901 1.227) 2.380 5.296 ( -2.450 1.058 -1.949) 3.305 5.365 ( -1.911 2.363 3.437) 4.588 5.449 ( -5.851 0.358 -1.618) 6.081 5.488 ( 3.795 1.589 -9.131) 10.015 5.573 ( 1.235 -0.079 0.475) 1.325 5.590 ( -3.452 2.177 4.574) 6.130 5.734 ( 5.127 2.018 1.004) 5.600 5.826 ( 2.666 0.892 -8.473) 8.927 5.894 ( 10.749 3.043 -2.463) 11.440 5.969 ( 7.176 -1.277 4.002) 8.315 6.022 ( 9.530 0.888 -2.165) 9.813 6.077 ( 2.774 -4.247 4.037) 6.483 6.148 ( 8.333 -1.138 -0.868) 8.455 6.368 ( 4.262 -1.816 -1.222) 4.791 6.473 ( 8.719 7.760 0.777) 11.698 6.673 ( 18.483 0.267 -1.076) 18.516 6.694 ( 5.683 8.667 3.231) 10.856 6.752 ( 2.510 3.995 -0.805) 4.787 7.112 ( -2.513 -0.819 -1.987) 3.307 7.167 ( -3.337 -0.400 0.115) 3.363 7.208 ( -2.633 1.747 1.198) 3.379 7.383 ( -2.939 6.433 -2.645) 7.551 7.487 ( -2.420 0.741 -1.427) 2.905 7.627 ( -4.507 -1.173 0.843) 4.733 7.689 ( -3.002 -4.594 1.083) 5.594 7.752 ( -8.080 -1.348 7.526) 11.124 7.881 ( -4.945 -1.614 0.190) 5.205 8.001 ( -5.657 -3.744 0.957) 6.851 8.034 ( -3.170 -5.679 4.833) 8.103 8.109 ( 0.877 -7.381 -1.336) 7.552 8.200 ( 2.105 -0.684 0.279) 2.231 8.254 ( -1.948 1.399 4.398) 5.009 8.407 ( -3.151 0.430 1.051) 3.350 8.486 ( -0.408 0.456 6.462) 6.491 8.536 ( 6.630 0.583 -2.150) 6.995 8.673 ( 1.115 -1.802 3.770) 4.325 8.963 ( 3.818 7.789 -0.253) 8.678 9.050 ( 0.763 2.464 -3.797) 4.590 9.185 ( 2.010 2.863 -7.197) 8.002 9.252 ( 2.618 1.621 2.334) 3.864 9.303 ( -1.441 -2.475 0.540) 2.915 9.346 ( -3.562 0.222 -0.569) 3.613 9.455 ( 5.855 -4.514 2.461) 7.792 9.507 ( 2.744 -1.266 -2.849) 4.153 9.664 ( 4.697 3.288 5.841) 8.185 9.687 ( -2.329 1.677 1.488) 3.233 9.825 ( -5.848 3.446 0.147) 6.789 9.889 ( -0.908 0.533 -1.489) 1.824 9.940 ( -6.782 -0.000 4.490) 8.134 9.979 ( 0.600 0.106 4.516) 4.557 10.089 ( -5.742 4.276 0.219) 7.163 10.172 ( 0.141 1.030 -4.168) 4.295 10.197 ( -0.663 2.287 1.967) 3.089 10.333 ( -1.666 1.138 0.302) 2.040 10.455 ( -1.558 5.461 -4.910) 7.507 10.576 ( 6.922 -0.170 3.622) 7.814 10.664 ( -2.149 -3.374 1.320) 4.212 10.747 ( 2.409 -5.905 0.216) 6.381 10.985 ( -1.439 4.178 1.961) 4.835 11.056 ( 4.363 -3.899 1.035) 5.942 11.083 ( 2.509 -0.638 -3.481) 4.338 11.186 ( 4.855 1.233 -3.434) 6.073 11.328 ( 5.078 -1.533 3.085) 6.136 11.383 ( 1.125 -1.434 -0.095) 1.825 11.439 ( 11.111 -1.092 -5.204) 12.318 11.482 ( 6.670 -0.171 -4.323) 7.950 11.608 ( -4.303 3.994 -2.856) 6.529 11.801 ( 1.050 -1.734 5.440) 5.805 11.892 ( -2.031 -6.091 -2.387) 6.850 12.119 ( -3.784 -2.919 5.375) 7.192 12.194 ( -8.809 -1.452 1.041) 8.988 12.245 ( -11.832 -2.260 -3.464) 12.534 12.378 ( -6.002 -2.964 -4.776) 8.223 12.414 ( -10.347 -0.337 0.696) 10.376 12.464 ( -1.302 -1.134 3.267) 3.695 12.524 ( -1.519 -1.079 0.400) 1.906 12.588 ( -2.301 -3.927 -0.006) 4.552 12.783 ( -2.174 -1.860 -4.804) 5.591 12.831 ( 3.976 0.627 -4.681) 6.173 12.923 ( -2.391 -6.996 3.772) 8.300 13.025 ( -9.382 10.369 1.497) 14.063 13.152 ( -8.740 5.377 0.839) 10.296 13.340 ( 2.110 1.741 -12.635) 12.928 13.456 ( 2.178 0.437 -5.378) 5.819 13.594 ( -3.505 0.518 -5.822) 6.815 13.673 ( -3.359 -3.406 -7.884) 9.221 13.864 ( 2.798 -3.245 -2.192) 4.813 14.049 ( -5.911 -4.805 -3.196) 8.261 14.120 ( 1.488 4.530 0.653) 4.813 14.175 ( -2.170 -0.664 -3.342) 4.040 14.321 ( -7.281 -3.994 5.449) 9.933 14.718 ( 4.799 -8.856 2.058) 10.281 14.745 ( 5.773 -3.880 3.019) 7.582 14.797 ( -5.315 -5.826 -2.762) 8.356 15.037 ( -2.457 9.153 5.873) 11.150 15.258 ( 3.392 5.490 0.607) 6.482 15.433 ( 2.475 0.440 13.259) 13.495 15.670 ( 0.948 -6.303 3.938) 7.492 15.853 ( 0.112 3.985 -0.279) 3.997 16.029 ( 2.273 -0.669 -3.485) 4.214 16.338 ( 5.071 1.258 1.313) 5.387 16.579 ( 3.070 -6.509 -0.073) 7.197 16.674 ( 8.189 1.307 -2.747) 8.736 16.765 ( 6.833 -0.386 0.071) 6.845 20.424 ( 0.763 2.150 0.497) 2.335 20.452 ( -0.445 1.929 -2.727) 3.370 20.746 ( -0.704 -6.074 4.291) 7.470 20.911 ( -0.980 -14.326 -0.519) 14.369 21.276 ( -4.314 7.880 1.633) 9.131 21.454 ( -3.250 4.117 -0.914) 5.324 21.616 ( -8.608 0.566 0.666) 8.652 21.716 ( -3.801 -3.335 3.841) 6.350 21.802 ( -3.797 3.829 -2.904) 6.125 22.087 ( 3.762 5.058 0.565) 6.328 22.117 ( 3.663 3.316 0.688) 4.988 22.209 ( 3.274 6.633 -2.049) 7.676 22.563 ( -2.548 -1.242 -2.586) 3.837 22.671 ( 5.677 17.036 -2.740) 18.164 22.830 ( 1.532 -9.484 -1.485) 9.721 23.306 ( 7.138 2.289 -4.568) 8.778 23.402 ( -0.211 0.411 -1.603) 1.669 23.547 ( 2.730 -2.306 -4.454) 5.711 23.594 ( 0.040 -4.076 6.506) 7.677 23.742 ( -1.401 0.084 0.989) 1.717 23.832 ( -3.431 -0.680 1.804) 3.936 24.063 ( -1.850 -6.320 8.953) 11.114 24.564 ( 10.566 15.231 -0.485) 18.544 25.110 ( 16.350 -1.943 -1.056) 16.499 25.885 ( -2.954 0.376 -0.123) 2.980 25.921 ( -2.507 0.127 -1.021) 2.710 25.936 ( -4.568 -0.480 1.675) 4.889 26.169 ( -1.053 -6.312 -1.119) 6.496 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -20.042 21.438 0.569) 29.353 0.958 ( -18.992 19.189 12.271) 29.657 1.623 ( -20.901 21.902 9.661) 31.779 1.705 ( -4.969 6.372 2.234) 8.383 1.811 ( -4.509 1.160 -0.073) 4.656 1.987 ( 3.040 -2.773 12.009) 12.694 2.038 ( -8.070 -4.539 -9.419) 13.207 2.304 ( -4.336 -0.728 -4.532) 6.314 2.372 ( -2.648 -3.874 -5.999) 7.616 2.410 ( -9.530 -3.120 0.977) 10.075 2.470 ( -1.189 1.847 -2.173) 3.089 2.575 ( -3.043 -1.028 -3.602) 4.826 2.625 ( -4.633 -0.572 -1.795) 5.001 2.686 ( -2.177 -0.158 2.646) 3.430 2.769 ( -4.650 -2.160 0.720) 5.178 2.785 ( -3.314 -0.623 3.995) 5.228 2.825 ( 1.686 2.633 0.598) 3.183 2.992 ( 1.880 3.656 -0.188) 4.115 3.052 ( -2.083 -2.810 -2.282) 4.176 3.081 ( 0.818 1.560 -3.305) 3.746 3.148 ( 0.249 2.693 0.843) 2.833 3.216 ( -2.452 2.789 -2.392) 4.418 3.322 ( 5.917 -3.538 0.177) 6.897 3.337 ( 0.397 -0.861 3.152) 3.292 3.365 ( -0.679 1.182 -1.203) 1.818 3.397 ( 0.384 0.080 2.751) 2.779 3.467 ( -6.315 -0.878 3.259) 7.160 3.507 ( -1.015 1.002 -0.961) 1.720 3.566 ( 1.554 -1.758 -3.216) 3.980 3.654 ( 5.795 0.521 -3.313) 6.695 3.710 ( 0.798 2.204 0.923) 2.519 3.814 ( 1.688 3.849 -1.783) 4.566 3.888 ( -1.259 5.894 5.539) 8.185 3.944 ( -2.284 -0.131 -6.221) 6.628 3.978 ( -4.216 0.974 2.116) 4.817 4.042 ( -4.639 5.307 -0.675) 7.081 4.171 ( -1.323 -11.509 0.123) 11.586 4.255 ( -0.544 -0.505 -1.167) 1.383 4.377 ( -6.270 -7.559 2.030) 10.029 4.492 ( 0.554 -6.337 0.947) 6.431 4.579 ( -6.314 -0.890 4.263) 7.670 4.612 ( -3.316 -2.685 1.771) 4.620 4.719 ( 0.918 -3.472 -0.039) 3.591 4.818 ( 3.560 -1.332 0.118) 3.803 4.913 ( -3.110 -0.497 -3.806) 4.940 4.926 ( 1.885 -2.109 1.004) 3.002 5.005 ( -3.629 -3.330 -3.805) 6.224 5.128 ( -3.382 -1.556 0.015) 3.723 5.218 ( 0.306 1.906 -2.800) 3.401 5.306 ( -0.515 2.346 1.224) 2.695 5.363 ( -1.806 0.468 1.216) 2.227 5.427 ( -2.195 -4.044 -5.577) 7.230 5.586 ( 0.585 1.990 1.311) 2.454 5.681 ( 5.377 -0.653 -1.043) 5.516 5.753 ( 1.600 0.761 -5.509) 5.786 5.848 ( 3.572 0.203 4.304) 5.597 6.075 ( 0.859 -1.319 -1.912) 2.477 6.104 ( 8.367 -0.044 2.286) 8.674 6.186 ( 8.028 -1.895 0.894) 8.297 6.218 ( 10.273 0.937 -0.242) 10.318 6.338 ( 11.710 2.456 1.170) 12.022 6.501 ( 8.125 -0.444 2.364) 8.473 6.573 ( 3.579 5.122 -3.178) 7.010 6.784 ( 1.263 4.216 2.029) 4.847 6.817 ( 0.793 4.194 -1.271) 4.454 6.946 ( 8.517 -6.160 -3.610) 11.113 7.003 ( -6.785 5.379 0.047) 8.659 7.145 ( 1.890 -1.600 -1.562) 2.928 7.207 ( 0.256 4.309 -1.480) 4.563 7.382 ( -3.814 4.567 0.690) 5.990 7.424 ( 9.798 11.121 -8.298) 16.987 7.512 ( -5.461 1.501 0.268) 5.670 7.647 ( -7.610 -1.100 8.588) 11.528 7.695 ( 2.401 -7.323 2.764) 8.188 7.793 ( -5.501 2.686 1.866) 6.399 7.921 ( -8.349 -6.562 5.989) 12.192 8.017 ( 1.936 -1.198 0.680) 2.376 8.072 ( -4.372 -5.036 2.607) 7.161 8.120 ( -5.204 0.267 -3.300) 6.168 8.302 ( 2.709 -5.259 -0.909) 5.985 8.461 ( 6.787 0.797 5.513) 8.780 8.547 ( 2.942 2.968 6.149) 7.435 8.640 ( 6.812 0.921 -1.161) 6.971 8.721 ( 0.947 3.847 2.770) 4.835 8.996 ( 0.496 5.685 -1.548) 5.912 9.109 ( 4.776 0.181 1.970) 5.169 9.167 ( 2.290 0.812 -4.149) 4.809 9.228 ( -5.605 -2.441 1.905) 6.404 9.273 ( -2.499 -1.083 1.921) 3.333 9.358 ( 4.328 1.349 1.307) 4.718 9.493 ( -0.990 -1.751 -2.668) 3.342 9.531 ( -1.872 1.687 -3.937) 4.674 9.639 ( -5.733 2.671 1.475) 6.495 9.755 ( 3.380 1.503 0.101) 3.701 9.816 ( 4.748 1.350 1.515) 5.164 9.842 ( -3.839 2.206 1.247) 4.600 9.911 ( 3.845 -4.245 -0.770) 5.779 9.993 ( 0.213 2.649 2.853) 3.899 10.072 ( 1.596 2.099 4.913) 5.575 10.124 ( 0.072 4.346 -5.635) 7.117 10.206 ( -1.245 -0.446 1.416) 1.937 10.313 ( -2.174 5.586 3.047) 6.724 10.394 ( -0.250 8.437 -1.580) 8.587 10.626 ( -1.221 -2.566 -1.473) 3.201 10.727 ( 3.539 -1.021 3.504) 5.084 10.794 ( -0.027 -3.524 3.638) 5.065 10.989 ( 4.380 1.418 -2.340) 5.164 11.093 ( -4.117 -7.275 3.546) 9.080 11.167 ( 1.753 -9.005 2.453) 9.496 11.212 ( -1.098 5.778 -5.032) 7.741 11.299 ( -5.162 -0.037 3.174) 6.060 11.422 ( 3.134 -1.535 -1.644) 3.858 11.550 ( 0.415 -3.195 -2.576) 4.125 11.591 ( 5.531 1.291 -5.695) 8.043 11.612 ( 9.108 -1.046 -5.504) 10.693 11.835 ( -0.570 -6.561 0.418) 6.599 11.860 ( -0.545 -3.429 1.504) 3.784 11.969 ( -3.796 -2.730 -3.193) 5.662 12.023 ( -7.708 -2.068 -3.369) 8.663 12.127 ( -3.138 1.141 7.647) 8.344 12.201 ( -7.603 0.009 -2.589) 8.032 12.296 ( -4.727 -0.200 1.023) 4.841 12.386 ( -8.125 -4.006 0.493) 9.073 12.472 ( -7.758 -1.152 -10.393) 13.020 12.599 ( 1.261 1.397 2.725) 3.312 12.679 ( -4.255 -1.968 -6.838) 8.291 12.782 ( -5.508 2.235 -15.084) 16.213 12.819 ( -11.630 7.026 -4.347) 14.266 12.887 ( -2.627 -0.121 -0.056) 2.630 12.930 ( -3.147 0.288 -3.344) 4.601 13.379 ( 0.991 -4.572 2.058) 5.111 13.407 ( -10.443 -5.898 -0.559) 12.006 13.513 ( 4.248 1.114 1.288) 4.577 13.600 ( -0.258 -5.407 -2.349) 5.901 13.878 ( 0.239 -5.892 -1.731) 6.146 13.972 ( 3.439 -1.896 -13.130) 13.704 14.103 ( -3.646 -1.381 -3.958) 5.556 14.146 ( -0.225 5.014 -0.741) 5.073 14.213 ( -6.050 4.844 8.486) 11.493 14.537 ( -14.020 -2.361 -7.420) 16.037 14.814 ( 1.874 -2.628 1.855) 3.723 14.911 ( 4.966 -5.673 5.634) 9.412 15.041 ( -0.843 7.992 7.070) 10.704 15.302 ( 1.059 4.616 1.004) 4.841 15.553 ( 1.097 -4.754 8.845) 10.102 15.732 ( 0.943 -9.731 10.064) 14.031 15.848 ( -0.097 4.301 -0.743) 4.366 16.054 ( 2.235 -0.947 -2.129) 3.229 16.455 ( 5.081 1.474 3.084) 6.124 16.655 ( 4.552 -4.185 0.940) 6.255 16.802 ( 6.517 1.503 -2.578) 7.168 16.884 ( 5.763 0.469 -1.407) 5.951 20.428 ( 0.181 1.454 -1.548) 2.132 20.450 ( 1.956 3.414 -0.970) 4.052 20.732 ( -2.455 -3.455 0.946) 4.343 20.814 ( -8.958 -13.297 -3.826) 16.483 21.243 ( -0.341 5.530 1.787) 5.822 21.384 ( -2.105 2.389 -1.843) 3.678 21.473 ( -6.673 2.528 1.203) 7.236 21.649 ( -5.098 -3.799 1.873) 6.628 21.727 ( -2.597 5.673 -1.545) 6.428 22.088 ( -0.958 -2.490 0.262) 2.681 22.187 ( 2.936 5.436 -4.905) 7.889 22.252 ( 3.492 12.865 -7.838) 15.465 22.531 ( 0.500 0.148 -1.527) 1.613 22.636 ( -0.868 14.372 -17.141) 22.386 23.061 ( 13.368 -6.640 9.273) 17.572 23.343 ( 1.680 1.217 -1.689) 2.675 23.408 ( 1.920 1.282 -0.840) 2.457 23.566 ( 2.500 -3.683 -4.088) 6.044 23.667 ( 1.056 -0.917 -0.194) 1.412 23.752 ( -3.740 -2.177 -1.053) 4.454 23.849 ( 10.213 3.838 22.986) 25.444 24.207 ( 8.504 -10.602 10.517) 17.186 24.768 ( 10.156 16.386 6.551) 20.361 25.381 ( 13.079 -0.742 -1.093) 13.145 25.832 ( -2.320 0.422 -0.074) 2.359 25.855 ( -3.136 0.377 -0.183) 3.164 25.869 ( -3.240 -0.713 0.098) 3.319 26.093 ( -7.445 -9.976 -2.481) 12.693 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.463 23.080 -3.093) 23.291 1.244 ( -3.842 21.734 7.065) 23.174 1.464 ( -0.561 -12.388 -8.884) 15.255 1.609 ( -4.221 -11.934 -1.244) 12.720 1.830 ( 5.316 -2.845 -2.283) 6.447 1.930 ( 3.389 -12.057 0.457) 12.533 2.211 ( -2.032 2.320 1.061) 3.261 2.248 ( -2.601 -1.485 -0.307) 3.011 2.338 ( 5.007 12.000 1.843) 13.132 2.462 ( -0.014 -4.110 -1.179) 4.276 2.482 ( -2.200 32.149 3.326) 32.395 2.502 ( 1.611 10.493 -3.282) 11.112 2.570 ( 0.646 -1.132 2.608) 2.915 2.667 ( -3.037 2.827 6.053) 7.338 2.720 ( -2.058 -0.908 4.437) 4.974 2.793 ( 2.909 1.243 4.103) 5.181 2.858 ( 2.380 -4.883 8.200) 9.836 3.071 ( 2.670 1.640 -1.522) 3.484 3.085 ( -0.955 4.816 -4.171) 6.442 3.105 ( -2.098 -0.485 -4.065) 4.600 3.174 ( -1.040 4.288 -1.117) 4.551 3.194 ( -2.274 -0.993 -4.080) 4.775 3.295 ( -2.325 4.006 -1.501) 4.869 3.302 ( -1.370 -2.360 -0.514) 2.776 3.342 ( 3.050 -11.827 3.878) 12.815 3.378 ( -1.596 -1.854 -0.950) 2.624 3.411 ( -2.016 -6.767 0.490) 7.078 3.471 ( 1.540 -7.590 5.948) 9.765 3.506 ( 0.677 -8.062 -4.340) 9.181 3.546 ( 4.741 -8.508 -5.199) 11.041 3.773 ( 1.870 -0.268 1.981) 2.737 3.789 ( 1.933 -0.373 2.424) 3.123 3.893 ( -1.008 2.734 -0.041) 2.914 3.935 ( 0.253 -1.469 2.731) 3.112 4.025 ( 1.039 11.906 1.105) 12.002 4.088 ( -2.047 5.504 0.628) 5.906 4.180 ( 0.761 2.297 4.800) 5.375 4.208 ( -0.463 2.643 2.888) 3.943 4.256 ( -3.159 -2.194 4.829) 6.173 4.312 ( -1.143 -6.254 -2.173) 6.719 4.481 ( 1.903 2.998 0.004) 3.551 4.602 ( 0.617 -7.190 -3.219) 7.901 4.662 ( -1.881 1.956 5.515) 6.146 4.754 ( -1.810 -6.803 2.761) 7.561 4.924 ( 2.535 2.498 -1.205) 3.757 4.972 ( 1.058 -0.685 1.041) 1.635 5.014 ( -2.016 5.764 -2.892) 6.757 5.088 ( 3.156 0.424 -5.245) 6.136 5.219 ( -0.722 -3.113 -4.568) 5.575 5.241 ( -1.171 -4.287 -6.231) 7.654 5.260 ( 0.122 1.281 -3.642) 3.863 5.327 ( -0.424 -3.560 -2.734) 4.509 5.653 ( 2.051 -0.391 3.101) 3.738 5.675 ( 0.952 -3.198 -0.228) 3.344 5.808 ( -1.900 5.034 -1.499) 5.586 5.885 ( -2.812 -1.260 -1.576) 3.461 6.099 ( -0.910 2.667 5.927) 6.563 6.165 ( -0.880 -4.238 6.302) 7.645 6.312 ( 4.274 1.421 -1.550) 4.764 6.342 ( 3.455 -0.815 -3.375) 4.898 6.527 ( -0.755 0.920 2.236) 2.533 6.540 ( -3.219 0.061 -0.257) 3.229 6.695 ( 3.361 5.976 -5.912) 9.053 6.803 ( 2.210 -2.062 -4.118) 5.108 6.868 ( -4.259 2.668 0.300) 5.034 6.923 ( -1.432 -2.159 1.342) 2.917 6.989 ( 3.243 3.282 -4.743) 6.617 7.071 ( 3.432 -4.971 -2.854) 6.681 7.248 ( -4.876 7.235 5.108) 10.110 7.394 ( -4.890 -2.345 0.625) 5.459 7.491 ( -1.758 5.531 2.558) 6.343 7.569 ( 2.017 1.299 -0.258) 2.413 7.626 ( 1.607 -4.395 -0.503) 4.707 7.636 ( -3.623 0.127 5.587) 6.660 7.718 ( -2.247 -2.206 0.875) 3.268 7.792 ( -0.438 -4.717 6.640) 8.157 7.956 ( 1.081 -1.190 2.533) 3.000 7.988 ( -2.047 -2.773 -3.732) 5.080 8.083 ( 2.767 7.081 -8.268) 11.232 8.251 ( 3.553 -9.298 -6.313) 11.787 8.635 ( -3.231 5.405 4.843) 7.944 8.732 ( 0.277 4.827 7.983) 9.333 8.748 ( -0.749 -3.960 2.886) 4.957 8.815 ( 2.000 -0.436 3.668) 4.200 8.992 ( -2.310 -0.578 0.012) 2.382 8.998 ( -3.390 -0.499 -0.091) 3.427 9.164 ( 3.580 2.371 0.399) 4.312 9.222 ( 4.038 -2.878 -1.468) 5.171 9.419 ( 2.539 5.699 -0.782) 6.288 9.446 ( -2.028 2.447 1.088) 3.359 9.508 ( 3.863 3.724 7.082) 8.885 9.559 ( 0.412 1.429 3.424) 3.733 9.640 ( -0.686 -5.434 1.802) 5.766 9.685 ( -2.672 -6.815 -0.503) 7.337 9.796 ( 0.279 3.190 -2.261) 3.919 9.841 ( -4.919 -1.196 -2.423) 5.612 9.971 ( -0.797 4.944 2.623) 5.653 10.030 ( -3.987 -0.358 0.659) 4.057 10.062 ( -1.731 0.041 -5.819) 6.071 10.082 ( -4.446 -2.655 2.197) 5.625 10.151 ( 0.818 4.764 -3.749) 6.117 10.271 ( 5.042 -4.954 -2.375) 7.456 10.619 ( -3.955 8.734 -6.682) 11.686 10.700 ( -10.639 2.461 2.315) 11.163 10.751 ( -0.262 2.159 1.983) 2.943 10.767 ( 0.707 7.761 5.455) 9.512 10.851 ( 1.345 -6.382 2.652) 7.040 10.952 ( -0.316 -9.714 -2.946) 10.156 11.148 ( 1.957 1.210 0.006) 2.301 11.209 ( 3.981 -8.275 -2.982) 9.654 11.325 ( 3.769 0.843 -1.990) 4.344 11.333 ( 4.500 1.399 -0.089) 4.713 11.492 ( -1.735 -0.040 -1.255) 2.142 11.536 ( -1.086 -3.495 -0.201) 3.666 11.759 ( 3.752 2.197 -2.113) 4.834 11.807 ( 4.688 1.009 -4.724) 6.731 11.903 ( 1.377 -0.476 2.227) 2.661 11.948 ( 1.926 0.503 -0.771) 2.135 12.020 ( 5.538 0.921 2.204) 6.031 12.069 ( -4.005 -0.829 -2.934) 5.034 12.138 ( 2.134 -2.154 2.716) 4.071 12.182 ( -3.138 -0.911 -0.583) 3.319 12.209 ( -2.894 1.169 -0.963) 3.267 12.293 ( 0.145 -4.360 -9.113) 10.104 12.501 ( -2.037 2.438 -3.563) 4.773 12.581 ( -1.255 -4.260 -3.866) 5.888 12.704 ( -0.802 2.033 -5.712) 6.115 12.722 ( -0.842 0.278 -5.755) 5.823 12.952 ( 2.142 4.708 -1.228) 5.316 13.002 ( 2.904 2.087 0.261) 3.585 13.286 ( -2.315 6.027 2.393) 6.886 13.393 ( 1.608 -1.563 1.459) 2.675 13.481 ( 3.468 -4.640 4.459) 7.310 13.530 ( 4.170 -9.167 -0.909) 10.112 13.860 ( 2.301 3.420 -3.578) 5.459 13.932 ( 1.286 -3.117 -5.282) 6.267 14.070 ( 0.345 3.913 -4.676) 6.107 14.131 ( 2.965 -2.602 -4.466) 5.959 14.302 ( -4.747 2.531 4.544) 7.042 14.327 ( -5.855 -0.601 2.172) 6.273 14.852 ( 0.387 3.659 4.379) 5.720 14.935 ( 0.637 -4.603 8.396) 9.597 15.218 ( -1.995 8.266 6.108) 10.470 15.325 ( -1.684 -2.097 1.629) 3.145 15.554 ( -1.959 1.510 4.547) 5.177 15.623 ( -1.505 -6.084 6.487) 9.020 15.935 ( 0.649 5.221 -3.442) 6.287 16.023 ( 0.889 -4.014 -2.672) 4.904 16.579 ( 0.148 3.188 4.363) 5.405 16.649 ( 0.327 -4.152 3.423) 5.391 16.889 ( 0.535 1.844 -2.520) 3.168 16.919 ( 0.056 -1.186 -2.722) 2.969 20.472 ( 1.378 2.475 -0.708) 2.920 20.515 ( 2.902 -1.503 -2.071) 3.869 20.605 ( -3.589 1.003 -0.506) 3.761 20.640 ( -1.979 -2.484 -1.148) 3.377 21.336 ( -0.427 4.291 1.458) 4.552 21.395 ( 0.577 -1.384 0.524) 1.588 21.464 ( -0.122 3.604 0.641) 3.663 21.534 ( -0.335 -3.434 -0.111) 3.452 21.860 ( 1.356 10.011 3.545) 10.706 22.018 ( 1.597 -6.341 4.391) 7.876 22.283 ( -1.263 5.147 -3.730) 6.480 22.332 ( -1.671 0.390 -1.885) 2.549 22.556 ( -0.119 3.068 0.862) 3.189 22.645 ( -1.012 -2.645 -3.711) 4.669 23.105 ( 0.351 5.130 -11.233) 12.354 23.276 ( -0.480 -9.243 -9.094) 12.976 23.451 ( 2.149 1.816 -0.658) 2.890 23.500 ( 2.571 -3.544 -2.051) 4.835 23.637 ( -1.192 0.623 -3.687) 3.925 23.653 ( -1.536 -1.092 -3.700) 4.152 24.166 ( 0.374 1.512 11.592) 11.696 24.230 ( 0.864 -6.338 11.867) 13.481 25.202 ( 0.876 12.535 5.773) 13.828 25.428 ( 0.454 -10.708 -0.914) 10.756 25.816 ( -0.255 0.472 0.148) 0.556 25.825 ( -0.246 -0.297 0.110) 0.401 25.831 ( -1.116 -0.036 0.072) 1.118 25.839 ( 0.504 -0.954 -0.007) 1.079 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 6.016 12.942 -0.061) 14.272 1.319 ( 5.175 -1.631 4.936) 7.335 1.456 ( 7.938 11.084 0.212) 13.635 1.656 ( 6.388 -5.097 -1.894) 8.389 1.938 ( 9.913 -6.003 -5.756) 12.940 1.979 ( 5.443 -7.737 -5.701) 11.044 2.232 ( 0.847 -0.163 4.141) 4.230 2.235 ( -2.485 -0.586 2.416) 3.515 2.382 ( 3.751 4.713 -7.153) 9.351 2.453 ( 3.589 -3.827 -4.167) 6.700 2.463 ( 3.012 10.868 -1.287) 11.351 2.595 ( 1.339 -0.379 -2.973) 3.283 2.710 ( 4.961 9.808 4.950) 12.055 2.732 ( 4.596 10.199 8.484) 14.040 2.767 ( 5.188 -0.491 6.066) 7.997 2.852 ( 0.362 2.361 -0.516) 2.444 2.944 ( 1.470 0.416 5.478) 5.687 2.988 ( -6.827 4.458 -2.792) 8.618 3.021 ( -3.939 -1.284 -1.382) 4.367 3.045 ( -5.688 -0.703 0.612) 5.764 3.144 ( 2.287 1.824 -0.623) 2.991 3.169 ( -1.687 -1.438 -1.192) 2.517 3.249 ( 1.578 3.425 3.141) 4.908 3.295 ( 0.814 -2.098 2.317) 3.230 3.357 ( 2.446 -2.112 -1.129) 3.423 3.385 ( -0.346 0.740 -0.568) 0.995 3.433 ( 3.230 -2.005 -2.041) 4.315 3.530 ( 4.010 -4.174 -0.767) 5.839 3.598 ( 7.850 -3.998 4.381) 9.839 3.645 ( 7.149 -5.768 -5.515) 10.714 3.777 ( -3.599 -1.351 1.571) 4.152 3.815 ( 3.304 -9.145 5.456) 11.150 3.941 ( 4.652 3.265 -1.864) 5.981 3.996 ( 2.544 -1.208 1.711) 3.295 4.013 ( -2.321 12.214 -1.034) 12.475 4.089 ( 2.605 10.663 0.951) 11.018 4.156 ( -4.366 -2.335 1.524) 5.181 4.262 ( 3.865 -3.125 3.665) 6.175 4.288 ( 4.300 1.590 5.811) 7.402 4.416 ( 7.318 -8.238 2.432) 11.284 4.542 ( 3.193 1.031 -3.014) 4.511 4.625 ( 3.418 -4.930 -5.166) 7.917 4.686 ( 0.485 2.732 5.109) 5.814 4.744 ( -0.468 -2.219 3.685) 4.327 4.915 ( -3.123 1.255 -0.142) 3.369 4.917 ( -3.316 5.104 -5.204) 8.008 4.977 ( -2.636 -4.396 -1.187) 5.261 5.064 ( -5.036 -7.526 -1.136) 9.126 5.170 ( 4.102 4.095 -6.335) 8.587 5.241 ( 5.426 -2.480 -5.499) 8.113 5.297 ( 4.319 0.761 -5.459) 7.003 5.347 ( 4.119 -3.569 -3.878) 6.689 5.634 ( -3.718 -0.177 -4.198) 5.610 5.668 ( -1.503 -3.447 -2.413) 4.468 5.723 ( -5.347 5.479 2.168) 7.956 5.823 ( -3.232 -3.860 3.178) 5.954 6.086 ( -3.920 3.323 3.655) 6.306 6.152 ( -3.201 -3.426 4.211) 6.302 6.257 ( -9.655 1.396 1.110) 9.819 6.270 ( -9.585 0.407 0.494) 9.606 6.401 ( -7.906 3.195 -0.152) 8.529 6.468 ( -4.910 -4.325 2.633) 7.053 6.671 ( -6.432 5.219 -5.940) 10.193 6.746 ( -6.167 -1.749 -4.903) 8.071 6.813 ( 2.110 8.424 -0.182) 8.686 6.968 ( 5.711 -5.513 -0.603) 7.961 7.038 ( -3.539 2.541 0.031) 4.357 7.104 ( -2.382 -3.096 -0.429) 3.930 7.263 ( 9.274 5.668 -0.324) 10.874 7.349 ( 4.018 -0.376 -0.154) 4.038 7.504 ( -0.308 7.190 0.117) 7.198 7.583 ( -2.207 6.603 -1.042) 7.039 7.640 ( 2.765 -1.620 2.964) 4.365 7.680 ( 0.988 -4.937 -0.567) 5.067 7.723 ( 2.541 1.873 4.972) 5.889 7.756 ( -3.678 -5.701 3.521) 7.643 7.931 ( 0.978 -2.585 -3.793) 4.693 7.982 ( -1.738 -8.225 -2.831) 8.871 8.159 ( 4.920 2.897 3.921) 6.927 8.249 ( 0.577 -5.056 -0.660) 5.131 8.538 ( -7.576 3.871 7.355) 11.246 8.634 ( -8.977 -5.957 6.761) 12.719 8.752 ( -3.502 7.524 6.754) 10.701 8.818 ( -3.215 1.106 5.212) 6.223 8.977 ( 0.377 0.422 -4.780) 4.814 9.018 ( 1.980 -4.275 -4.383) 6.435 9.208 ( -1.930 5.983 -0.184) 6.289 9.294 ( 4.159 -0.752 0.167) 4.229 9.317 ( -3.616 2.179 -0.338) 4.235 9.388 ( -7.532 -3.475 1.203) 8.382 9.532 ( -5.588 1.028 -3.744) 6.804 9.546 ( -0.354 0.870 -5.427) 5.508 9.659 ( 4.002 3.345 0.277) 5.224 9.709 ( 3.238 -0.277 2.949) 4.389 9.736 ( -1.644 1.167 0.485) 2.074 9.757 ( -2.474 -1.146 0.537) 2.779 9.928 ( -0.752 6.921 2.839) 7.519 10.038 ( 0.558 0.874 7.432) 7.504 10.116 ( 4.523 5.494 -1.918) 7.371 10.153 ( 3.630 0.770 -0.065) 3.712 10.212 ( 6.689 -3.891 -0.109) 7.739 10.328 ( 3.046 -9.591 2.220) 10.305 10.449 ( -6.567 4.164 -5.878) 9.747 10.511 ( -7.574 -1.247 -2.000) 7.932 10.709 ( -4.202 3.003 0.647) 5.205 10.773 ( 1.040 2.770 -2.359) 3.784 10.875 ( -1.314 -2.136 1.523) 2.934 10.972 ( 3.082 -5.291 -1.972) 6.433 11.206 ( -0.521 3.379 3.860) 5.156 11.278 ( 1.275 -4.852 2.058) 5.422 11.399 ( 0.854 1.272 1.845) 2.398 11.436 ( 3.637 0.397 2.503) 4.433 11.470 ( 1.151 -3.201 -5.068) 6.103 11.508 ( 1.649 -4.082 -4.978) 6.646 11.764 ( -6.272 0.862 -2.581) 6.836 11.783 ( -2.619 -0.812 -3.096) 4.135 11.891 ( 0.378 7.123 1.432) 7.276 11.964 ( 6.427 0.283 -0.302) 6.440 12.000 ( -0.122 -0.098 -2.255) 2.260 12.129 ( 4.143 -11.244 -4.568) 12.824 12.189 ( 5.945 2.766 -0.637) 6.588 12.258 ( 6.235 -3.527 -0.917) 7.222 12.307 ( 10.006 1.106 3.671) 10.715 12.359 ( 9.779 -3.453 -4.478) 11.297 12.505 ( 1.120 2.982 1.541) 3.539 12.592 ( 2.895 -5.405 -2.446) 6.601 12.678 ( 3.214 3.516 -6.664) 8.192 12.725 ( 6.094 -1.087 -4.821) 7.845 12.990 ( 3.012 6.460 -1.039) 7.203 13.070 ( 4.875 4.553 -2.541) 7.138 13.275 ( 0.941 0.893 -2.474) 2.794 13.445 ( 3.030 -6.961 -0.715) 7.626 13.588 ( 4.621 -3.824 -5.293) 7.999 13.607 ( 3.945 -4.294 1.660) 6.063 13.879 ( 2.720 3.015 -3.216) 5.180 13.926 ( 2.318 -1.588 -4.012) 4.898 14.092 ( 5.739 4.733 -4.258) 8.571 14.174 ( 3.644 -3.814 -2.225) 5.725 14.298 ( 1.294 0.762 6.190) 6.370 14.317 ( 1.946 -1.669 5.786) 6.329 14.847 ( -4.443 5.537 5.836) 9.190 14.937 ( -5.190 -3.424 5.956) 8.611 15.212 ( -3.167 6.405 5.928) 9.284 15.287 ( -3.268 -0.928 0.514) 3.436 15.526 ( -3.996 2.274 4.035) 6.117 15.611 ( -3.989 -6.601 5.294) 9.355 15.921 ( 0.279 5.058 -3.297) 6.044 16.013 ( 0.033 -4.624 -2.788) 5.400 16.558 ( -5.410 3.156 4.951) 7.984 16.626 ( -4.969 -4.138 4.153) 7.685 16.822 ( -5.289 1.539 -3.244) 6.393 16.842 ( -5.619 -0.628 -3.060) 6.429 20.476 ( -1.021 2.941 -1.657) 3.527 20.523 ( 0.032 -0.565 -4.081) 4.120 20.582 ( 0.083 -0.102 2.374) 2.377 20.629 ( 2.434 -3.694 -0.080) 4.425 21.356 ( 1.787 5.268 1.044) 5.660 21.437 ( 3.364 -2.837 -0.272) 4.409 21.499 ( 3.253 4.098 0.968) 5.321 21.563 ( 3.740 -2.138 0.051) 4.308 21.954 ( 4.997 11.453 5.006) 13.462 22.099 ( 2.845 -2.727 2.705) 4.779 22.183 ( -4.295 6.734 -5.226) 9.545 22.260 ( -4.549 -0.763 -1.902) 4.989 22.555 ( -0.511 1.898 0.310) 1.990 22.610 ( -0.468 -1.214 -1.232) 1.791 23.030 ( -3.114 -0.492 -4.448) 5.452 23.177 ( -3.814 -11.596 -9.163) 15.264 23.482 ( 0.987 2.390 -0.883) 2.733 23.532 ( 0.825 -2.940 -1.874) 3.583 23.619 ( 3.276 0.698 -4.726) 5.792 23.627 ( 2.626 -0.214 -3.662) 4.511 24.134 ( -9.528 2.939 11.538) 15.249 24.213 ( -8.697 -6.093 11.114) 15.372 25.136 ( -11.364 9.511 5.026) 15.649 25.286 ( -12.765 -5.821 -1.547) 14.115 25.842 ( 2.384 0.811 0.232) 2.529 25.857 ( 2.967 0.363 0.006) 2.989 25.875 ( 4.455 -0.414 0.208) 4.479 25.913 ( 6.415 -3.408 -1.266) 7.374 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 5.541 9.497 2.557) 11.289 1.479 ( 3.218 -13.041 6.446) 14.899 1.648 ( 12.589 14.767 -3.391) 19.699 1.803 ( 9.783 2.770 2.635) 10.504 2.053 ( 8.043 -3.836 -3.401) 9.538 2.144 ( 6.934 -9.424 3.758) 12.289 2.212 ( 6.543 4.220 -4.947) 9.225 2.279 ( 2.278 -0.827 3.388) 4.166 2.434 ( 1.358 2.714 -3.315) 4.495 2.480 ( 1.825 -2.377 -3.845) 4.875 2.564 ( 3.513 0.873 -2.951) 4.670 2.577 ( 4.274 -1.832 -4.557) 6.511 2.689 ( -6.769 2.365 0.340) 7.178 2.713 ( -8.859 0.730 -2.192) 9.155 2.765 ( -3.016 0.808 -1.344) 3.399 2.819 ( -7.572 -1.018 -2.841) 8.151 2.900 ( -0.558 0.873 -2.255) 2.481 2.936 ( 1.097 -2.202 -2.428) 3.456 2.973 ( 2.260 5.608 4.652) 7.629 3.067 ( 0.677 -4.902 6.245) 7.968 3.209 ( 4.831 2.735 2.567) 6.116 3.239 ( 3.800 -1.045 2.944) 4.920 3.326 ( -1.131 0.093 3.004) 3.211 3.344 ( 2.294 0.073 -0.980) 2.496 3.379 ( 1.540 -0.448 0.120) 1.608 3.434 ( 6.823 -6.024 1.119) 9.170 3.559 ( 11.298 11.686 5.345) 17.111 3.634 ( 5.429 3.751 0.637) 6.630 3.684 ( -0.541 -0.085 -1.734) 1.819 3.718 ( 4.550 -1.950 -3.477) 6.050 3.817 ( 8.552 6.345 4.260) 11.469 3.892 ( -1.992 1.857 0.065) 2.724 3.955 ( 0.496 2.548 -0.241) 2.607 4.037 ( 2.460 -3.231 2.881) 4.979 4.065 ( 4.642 5.336 -3.607) 7.939 4.129 ( -0.112 7.240 2.139) 7.550 4.188 ( 6.963 -4.320 4.701) 9.447 4.341 ( 0.270 -6.225 2.957) 6.897 4.406 ( 4.003 3.410 6.689) 8.509 4.515 ( -0.640 -4.043 4.198) 5.864 4.581 ( 1.817 -0.244 -2.702) 3.265 4.611 ( 3.688 -1.825 -5.459) 6.836 4.695 ( -3.051 2.123 -0.689) 3.781 4.729 ( -3.814 -3.169 -1.495) 5.179 4.838 ( -2.479 -0.330 0.963) 2.680 4.892 ( -0.033 -2.902 5.220) 5.973 4.940 ( 2.673 -1.887 -5.254) 6.189 4.973 ( 0.549 -4.431 -0.510) 4.494 5.182 ( -3.494 2.451 -9.757) 10.650 5.237 ( -3.426 -2.181 -9.994) 10.788 5.365 ( 6.798 2.312 -2.616) 7.642 5.418 ( 8.659 -3.308 -4.699) 10.393 5.544 ( 1.090 4.193 -3.917) 5.841 5.654 ( 1.710 -6.887 -1.454) 7.244 5.704 ( 0.870 5.820 1.874) 6.176 5.788 ( -3.075 -3.080 0.003) 4.352 5.994 ( -9.571 5.466 0.891) 11.058 6.026 ( -12.358 3.326 4.901) 13.704 6.068 ( -11.530 -0.965 4.569) 12.440 6.100 ( -4.805 -3.358 1.572) 6.069 6.305 ( -4.055 5.245 3.486) 7.491 6.402 ( -4.732 -5.245 4.125) 8.181 6.480 ( -9.221 4.253 -5.389) 11.496 6.545 ( -10.605 -3.178 -4.946) 12.125 6.845 ( -0.693 11.598 -1.635) 11.733 6.896 ( -5.717 5.921 -0.787) 8.268 7.036 ( -1.101 -3.808 1.539) 4.252 7.081 ( 1.782 -7.214 1.486) 7.578 7.336 ( -4.695 8.625 -0.366) 9.827 7.441 ( 4.495 1.285 -3.222) 5.678 7.527 ( 5.129 -1.346 -1.629) 5.548 7.573 ( -8.102 -9.619 -2.353) 12.795 7.631 ( 4.112 6.229 1.524) 7.618 7.692 ( 3.418 2.098 2.847) 4.918 7.797 ( 6.141 -4.429 3.624) 8.394 7.850 ( 4.913 -7.246 3.699) 9.504 7.962 ( 5.160 1.145 -0.751) 5.338 8.012 ( 4.659 -4.372 0.837) 6.443 8.237 ( 0.113 0.636 4.128) 4.178 8.268 ( 0.252 -1.131 1.670) 2.033 8.458 ( -6.356 2.541 5.843) 9.000 8.539 ( -5.952 -5.323 6.198) 10.108 8.693 ( -7.419 6.557 6.709) 11.960 8.772 ( -6.404 -1.118 5.552) 8.549 8.936 ( 0.342 4.762 -7.611) 8.984 8.994 ( 2.401 -2.984 -9.141) 9.911 9.155 ( -1.596 2.638 1.488) 3.424 9.257 ( -5.050 -5.642 1.142) 7.658 9.343 ( 3.635 2.120 -3.763) 5.645 9.386 ( 3.821 -1.866 -3.923) 5.785 9.446 ( -2.698 3.019 -4.300) 5.906 9.468 ( 0.738 1.114 -1.397) 1.933 9.647 ( -2.523 2.862 2.453) 4.536 9.714 ( -1.509 -1.931 4.934) 5.510 9.787 ( 3.473 4.401 3.360) 6.537 9.848 ( 3.888 -2.690 3.039) 5.621 9.965 ( 2.718 5.262 1.832) 6.200 10.069 ( -2.446 -1.817 4.598) 5.516 10.117 ( -1.183 4.842 -0.953) 5.075 10.196 ( -2.531 1.280 -2.384) 3.705 10.275 ( -0.815 1.706 0.762) 2.038 10.292 ( -1.328 -0.619 -1.360) 1.999 10.411 ( 2.425 -0.771 -0.430) 2.581 10.507 ( 7.480 -5.203 -1.531) 9.239 10.685 ( 0.403 0.998 0.962) 1.444 10.796 ( 3.445 -5.051 1.170) 6.225 10.879 ( -0.431 4.715 1.994) 5.138 10.953 ( -2.852 -0.565 -3.337) 4.426 11.124 ( -7.452 3.788 -0.347) 8.367 11.218 ( -11.067 -5.319 0.309) 12.283 11.323 ( -3.634 -1.018 -0.353) 3.790 11.390 ( -1.871 -5.658 -0.675) 5.998 11.486 ( -3.391 2.789 -3.912) 5.881 11.531 ( -3.057 -1.344 -3.243) 4.655 11.718 ( 6.423 4.797 3.601) 8.789 11.817 ( 4.534 -4.969 2.379) 7.135 11.888 ( -0.807 7.742 -1.397) 7.909 12.026 ( 2.670 -1.259 0.064) 2.952 12.114 ( 7.362 -3.460 -0.708) 8.166 12.132 ( 1.821 -9.004 -6.771) 11.412 12.356 ( 8.461 0.115 0.736) 8.494 12.384 ( 9.945 -1.938 0.383) 10.139 12.486 ( 3.991 1.516 -1.986) 4.708 12.507 ( 9.221 -0.196 -1.804) 9.398 12.534 ( 1.992 1.681 5.289) 5.896 12.630 ( 3.258 -6.317 -2.368) 7.492 12.740 ( 5.492 5.660 -4.332) 8.998 12.835 ( 6.353 -4.076 -3.003) 8.123 13.071 ( 6.726 9.970 -1.593) 12.132 13.131 ( 3.815 12.839 -5.296) 14.402 13.315 ( 5.355 -11.324 -0.019) 12.527 13.445 ( -1.134 -14.873 -4.479) 15.574 13.622 ( 4.434 0.236 -5.143) 6.794 13.658 ( 2.933 -2.758 -4.354) 5.930 13.910 ( 3.459 3.173 -6.259) 7.824 13.953 ( 3.478 -1.005 -3.906) 5.326 14.187 ( 5.942 5.746 -6.030) 10.231 14.260 ( 3.176 -1.815 2.013) 4.176 14.392 ( 2.415 2.522 10.712) 11.267 14.473 ( 8.359 -5.310 8.012) 12.738 14.775 ( -5.512 4.179 3.907) 7.944 14.839 ( -7.234 -2.381 1.710) 7.806 15.173 ( -4.967 5.052 5.402) 8.909 15.215 ( -4.377 0.780 0.213) 4.451 15.466 ( -5.322 2.627 4.978) 7.746 15.553 ( -4.874 -6.161 3.808) 8.731 15.907 ( 0.425 4.410 -2.625) 5.149 15.993 ( -0.180 -4.574 -2.623) 5.276 16.465 ( -7.213 3.325 4.422) 9.090 16.541 ( -6.412 -4.811 3.923) 8.925 16.685 ( -5.981 1.404 -3.808) 7.228 16.704 ( -6.112 -0.678 -3.295) 6.977 20.441 ( -1.006 2.696 -1.269) 3.145 20.493 ( -0.392 -2.401 -2.886) 3.775 20.609 ( 0.499 1.986 2.761) 3.437 20.687 ( 2.449 -5.846 0.825) 6.391 21.419 ( 4.353 6.182 0.731) 7.596 21.505 ( 4.733 -1.852 -1.796) 5.390 21.593 ( 5.289 4.700 2.134) 7.391 21.671 ( 7.007 -2.115 0.930) 7.378 22.028 ( -4.450 7.652 -3.990) 9.710 22.060 ( -0.120 6.745 -0.727) 6.785 22.150 ( -0.808 2.682 2.376) 3.673 22.215 ( 1.108 0.134 2.432) 2.675 22.541 ( -0.544 1.093 -1.097) 1.641 22.621 ( 1.330 -5.745 1.968) 6.216 22.931 ( -5.125 -2.758 -1.492) 6.008 23.026 ( -6.315 -9.933 -6.844) 13.615 23.467 ( -0.275 1.614 -4.059) 4.377 23.506 ( -0.494 -2.511 -4.102) 4.835 23.668 ( 4.171 2.804 -3.922) 6.375 23.710 ( 5.282 -1.706 -1.626) 5.783 24.045 ( -6.564 4.336 11.885) 14.252 24.133 ( -5.970 -5.320 10.598) 13.277 24.891 ( -16.164 7.660 2.150) 18.016 24.991 ( -16.030 -2.981 -3.553) 16.688 25.894 ( 2.616 0.940 0.461) 2.817 25.914 ( 2.661 -0.495 0.509) 2.754 25.961 ( 4.061 0.818 0.165) 4.145 26.015 ( 5.201 -4.206 -1.860) 6.943 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 2.332 6.297 5.567) 8.723 1.491 ( -1.276 -5.865 2.040) 6.340 1.882 ( 10.291 4.577 -1.281) 11.335 1.961 ( 4.444 -2.729 2.358) 5.723 2.203 ( -0.795 2.373 3.832) 4.576 2.238 ( 8.158 -1.869 5.006) 9.753 2.306 ( -2.244 4.784 -5.693) 7.767 2.370 ( 2.361 3.128 4.917) 6.288 2.384 ( -7.132 -2.691 -4.583) 8.895 2.458 ( 3.009 -1.139 0.762) 3.306 2.498 ( 1.710 -1.868 2.305) 3.424 2.567 ( 1.623 -3.456 1.240) 4.015 2.639 ( -0.815 0.272 -5.002) 5.076 2.689 ( -1.285 -2.422 -1.956) 3.368 2.708 ( 2.714 -1.434 0.869) 3.190 2.722 ( 1.755 -3.596 -0.739) 4.069 2.933 ( 5.300 1.478 -3.538) 6.542 2.975 ( 4.026 -2.334 -3.832) 6.028 3.066 ( 2.373 3.298 4.769) 6.265 3.094 ( -0.585 -0.543 2.842) 2.952 3.173 ( -4.390 0.110 0.343) 4.405 3.193 ( -5.731 -1.457 -0.781) 5.965 3.341 ( -1.417 2.533 -0.316) 2.920 3.384 ( 0.204 -1.101 3.582) 3.753 3.480 ( 3.049 2.465 1.002) 4.047 3.543 ( 1.843 -2.824 0.936) 3.499 3.677 ( 1.602 1.775 -2.189) 3.242 3.709 ( 1.928 1.782 0.952) 2.793 3.751 ( 5.324 1.075 -2.450) 5.958 3.794 ( -0.903 0.439 -0.713) 1.232 3.847 ( 0.382 3.503 -0.573) 3.570 3.885 ( 5.874 0.246 0.132) 5.881 4.033 ( -1.812 6.715 0.729) 6.993 4.067 ( -1.482 3.581 0.576) 3.918 4.118 ( 1.592 1.324 2.344) 3.128 4.166 ( 5.797 7.439 3.999) 10.244 4.265 ( -6.081 -2.058 -1.112) 6.515 4.371 ( 4.128 -0.804 7.682) 8.757 4.417 ( -3.752 -0.842 -4.162) 5.667 4.474 ( -3.754 -2.805 1.535) 4.931 4.548 ( -1.332 2.531 3.169) 4.269 4.599 ( -4.207 -1.948 2.188) 5.126 4.636 ( 1.433 3.967 -8.062) 9.098 4.744 ( 0.403 -7.030 -6.026) 9.268 4.862 ( -3.624 0.512 1.732) 4.049 4.921 ( -0.549 -5.094 0.754) 5.179 5.008 ( 6.698 5.459 -0.804) 8.678 5.052 ( 5.841 1.129 -0.250) 5.954 5.104 ( 8.176 -3.895 3.307) 9.641 5.117 ( 3.352 -5.004 -5.869) 8.410 5.441 ( 2.683 4.773 -5.351) 7.656 5.505 ( -2.396 -1.437 -5.656) 6.308 5.619 ( 5.190 3.075 0.306) 6.041 5.621 ( -4.131 0.561 -1.343) 4.379 5.678 ( -3.769 1.451 0.138) 4.041 5.742 ( 7.439 -3.107 -1.676) 8.234 5.865 ( -4.544 2.454 4.304) 6.723 5.886 ( -6.147 -0.666 2.092) 6.527 6.021 ( -4.716 0.966 2.707) 5.523 6.034 ( 4.597 0.730 1.392) 4.859 6.227 ( -9.417 6.546 -3.504) 11.992 6.298 ( -7.198 1.927 1.542) 7.609 6.320 ( -5.887 -2.132 -3.073) 6.974 6.356 ( -2.055 -3.823 2.635) 5.078 6.783 ( -1.465 13.740 -0.649) 13.833 6.867 ( 0.273 6.979 -0.938) 7.047 7.026 ( -0.374 -6.664 1.785) 6.909 7.144 ( 3.429 -12.523 -0.650) 13.001 7.283 ( -1.374 2.051 1.797) 3.053 7.358 ( -5.273 -5.753 -1.383) 7.926 7.528 ( 1.120 0.759 -0.313) 1.388 7.541 ( -1.275 -0.388 0.898) 1.607 7.711 ( 2.164 1.883 1.641) 3.305 7.774 ( 1.651 -3.533 2.512) 4.639 7.943 ( 3.478 -0.077 2.875) 4.513 7.980 ( 1.799 -3.516 3.017) 4.970 8.025 ( 2.394 2.236 -1.663) 3.673 8.089 ( 4.757 -4.181 2.160) 6.691 8.234 ( -0.617 2.601 0.713) 2.767 8.284 ( 1.878 -2.020 -1.699) 3.240 8.379 ( -5.281 5.025 3.854) 8.245 8.480 ( -5.006 -4.637 4.790) 8.337 8.597 ( -6.595 4.155 5.403) 9.485 8.667 ( -7.388 -2.419 5.486) 9.515 8.921 ( 3.470 6.589 -6.398) 9.818 9.009 ( 4.767 -3.320 -8.362) 10.181 9.172 ( 1.804 0.836 0.685) 2.103 9.221 ( 0.113 -3.646 2.539) 4.444 9.319 ( -2.087 3.505 -2.074) 4.576 9.355 ( 0.383 0.346 -5.899) 5.921 9.466 ( 2.626 1.565 -1.227) 3.294 9.519 ( 2.029 -3.474 -2.584) 4.781 9.626 ( -1.701 8.002 4.764) 9.466 9.758 ( -0.122 -2.673 8.588) 8.995 9.836 ( -0.520 2.408 0.672) 2.553 9.889 ( -0.975 -4.555 0.393) 4.675 10.032 ( 2.706 0.806 2.739) 3.933 10.055 ( 0.669 -0.785 1.981) 2.234 10.103 ( -0.796 8.637 2.503) 9.028 10.120 ( -0.783 3.044 -0.393) 3.167 10.216 ( -2.810 -3.146 -1.114) 4.363 10.292 ( -0.639 -7.681 2.057) 7.978 10.494 ( 4.179 5.160 -2.651) 7.150 10.624 ( 2.977 -7.859 -3.913) 9.270 10.715 ( 3.585 8.954 -0.049) 9.645 10.853 ( -2.874 0.457 0.374) 2.934 10.867 ( -1.138 0.384 2.060) 2.384 10.902 ( 1.852 0.807 1.615) 2.587 10.991 ( -7.455 -4.229 1.183) 8.652 11.043 ( -1.124 -1.393 -1.589) 2.393 11.267 ( -3.674 -0.737 -0.745) 3.821 11.336 ( -2.797 -6.984 -3.411) 8.261 11.391 ( -1.290 3.377 -2.943) 4.662 11.439 ( -0.607 -1.186 -9.250) 9.345 11.765 ( -5.033 4.615 1.893) 7.086 11.858 ( -1.271 -3.218 2.536) 4.290 11.938 ( 3.267 7.208 3.175) 8.527 12.094 ( 3.578 -2.437 2.082) 4.804 12.144 ( 2.755 -3.551 -1.703) 4.806 12.224 ( 4.109 -8.427 1.592) 9.510 12.430 ( 0.500 5.366 -1.117) 5.504 12.529 ( 4.119 -2.381 -5.961) 7.627 12.548 ( 2.159 -2.135 1.735) 3.497 12.569 ( 3.334 -2.246 -2.663) 4.821 12.653 ( 5.114 1.417 -0.447) 5.326 12.702 ( 4.293 -3.072 0.319) 5.288 12.776 ( -0.296 4.937 -0.983) 5.043 12.882 ( -0.623 -4.656 -1.049) 4.813 13.153 ( 4.335 12.450 0.712) 13.202 13.221 ( 6.569 10.172 0.210) 12.110 13.407 ( 1.924 -13.704 -1.946) 13.974 13.421 ( 3.702 -9.902 -1.407) 10.664 13.682 ( 5.681 0.496 -8.371) 10.129 13.736 ( 9.933 -4.896 -4.917) 12.117 13.904 ( 0.272 6.970 -6.019) 9.213 13.991 ( 0.898 -1.375 -0.635) 1.761 14.235 ( 3.663 0.629 -1.525) 4.018 14.248 ( -4.160 -1.368 -0.689) 4.433 14.397 ( -9.619 7.259 2.709) 12.351 14.556 ( -4.826 -7.743 -2.595) 9.486 14.760 ( -0.133 2.468 2.763) 3.708 14.817 ( 4.788 -3.107 5.234) 7.744 15.121 ( -2.704 5.332 5.448) 8.088 15.157 ( -1.843 1.469 2.606) 3.514 15.410 ( -4.311 3.579 6.545) 8.616 15.505 ( -2.820 -6.292 4.534) 8.252 15.905 ( 1.026 3.961 -2.044) 4.574 15.978 ( 0.530 -3.773 -2.495) 4.554 16.369 ( -5.112 3.650 2.642) 6.815 16.458 ( -4.468 -5.813 2.480) 7.740 16.585 ( -1.463 1.439 -3.725) 4.253 16.608 ( -1.312 -1.137 -2.763) 3.263 20.430 ( 0.269 2.338 -0.105) 2.355 20.481 ( 0.624 -2.697 -1.537) 3.166 20.628 ( -0.305 2.340 2.938) 3.769 20.720 ( 0.614 -7.043 0.984) 7.138 21.508 ( 3.489 6.410 1.396) 7.430 21.583 ( 4.030 -0.403 -0.880) 4.145 21.686 ( 1.837 6.592 1.938) 7.112 21.803 ( 4.811 -3.729 0.301) 6.094 21.941 ( -1.127 3.433 -1.556) 3.934 21.964 ( -4.383 1.362 -1.491) 4.825 22.211 ( -0.394 6.062 0.987) 6.155 22.231 ( 0.971 5.760 2.289) 6.274 22.528 ( 0.207 -0.818 -1.481) 1.704 22.664 ( -0.820 -12.143 3.543) 12.676 22.852 ( -0.663 0.183 -3.506) 3.572 22.906 ( -0.640 -5.520 -0.971) 5.641 23.439 ( 0.676 1.391 -5.108) 5.337 23.479 ( 0.871 -2.651 -4.746) 5.506 23.673 ( -1.064 3.414 -4.077) 5.423 23.735 ( -1.016 -3.349 -2.551) 4.331 24.065 ( -1.149 4.976 9.839) 11.085 24.146 ( -2.049 -3.761 10.318) 11.172 24.632 ( -9.566 6.771 -1.299) 11.792 24.721 ( -6.991 -2.850 -4.588) 8.835 25.933 ( 1.056 0.725 0.476) 1.366 25.952 ( 0.735 -0.845 0.757) 1.352 26.014 ( 1.496 1.841 -0.031) 2.372 26.075 ( 2.444 -4.213 -1.422) 5.073 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -0.370 3.107 5.780) 6.572 1.500 ( 0.059 -4.233 3.532) 5.513 1.863 ( -13.770 6.428 0.187) 15.198 1.955 ( -5.855 -1.811 0.775) 6.177 2.100 ( -10.612 6.093 1.771) 12.364 2.183 ( 0.505 -0.922 -2.069) 2.321 2.289 ( -0.765 -2.943 2.390) 3.868 2.334 ( -2.709 -6.899 0.016) 7.412 2.493 ( 1.184 1.926 -0.085) 2.263 2.517 ( 3.471 -1.017 1.495) 3.913 2.618 ( 10.532 4.860 2.282) 11.822 2.651 ( 2.330 0.068 2.010) 3.078 2.681 ( 4.082 -2.468 1.479) 4.994 2.705 ( 6.512 -3.773 0.088) 7.526 2.785 ( 4.106 0.767 0.414) 4.197 2.822 ( 5.276 -2.952 1.439) 6.215 2.955 ( -0.694 0.608 -1.654) 1.894 2.962 ( -2.285 0.777 -2.817) 3.709 3.050 ( -6.262 -0.582 -4.103) 7.509 3.071 ( -0.302 -3.394 -3.465) 4.860 3.128 ( 1.065 3.331 3.374) 4.859 3.194 ( 1.875 -3.084 5.200) 6.330 3.289 ( -4.867 3.158 2.452) 6.299 3.353 ( -6.336 -3.103 4.369) 8.298 3.464 ( -1.147 4.805 -6.743) 8.358 3.522 ( -5.574 2.641 -0.223) 6.172 3.576 ( -6.728 0.447 -3.813) 7.747 3.634 ( -9.799 -1.683 3.890) 10.676 3.773 ( -0.615 0.862 -4.596) 4.716 3.779 ( 0.525 0.318 -1.600) 1.713 3.882 ( -3.655 6.336 3.520) 8.118 3.943 ( 0.039 0.625 0.091) 0.633 3.978 ( -2.043 6.157 -1.596) 6.681 4.013 ( -3.412 5.477 -0.315) 6.460 4.129 ( 4.128 -2.718 -2.183) 5.403 4.195 ( -3.390 -5.012 2.381) 6.502 4.223 ( -1.779 6.108 -1.042) 6.447 4.304 ( -1.254 -1.590 -1.681) 2.632 4.417 ( -12.903 0.608 1.253) 12.978 4.456 ( -4.515 -2.713 6.615) 8.456 4.549 ( 0.204 3.615 -2.519) 4.411 4.597 ( 8.776 -0.182 4.035) 9.661 4.615 ( 3.198 1.367 0.666) 3.541 4.701 ( -1.630 -6.747 -4.399) 8.218 4.764 ( 1.646 3.311 -1.944) 4.178 4.883 ( -1.922 -8.210 1.125) 8.506 5.081 ( -0.848 1.174 -1.069) 1.800 5.126 ( -5.695 -2.326 -2.924) 6.811 5.254 ( 9.406 2.743 1.598) 9.928 5.287 ( 5.715 -0.543 -0.008) 5.741 5.470 ( 8.291 3.328 -4.318) 9.922 5.510 ( 10.439 -0.277 1.294) 10.523 5.581 ( -0.267 2.236 -2.506) 3.369 5.621 ( -2.874 -0.625 -0.331) 2.960 5.746 ( 5.684 4.954 2.645) 7.990 5.800 ( -1.133 0.143 1.165) 1.631 5.888 ( 3.903 0.757 -1.425) 4.223 5.914 ( 1.996 -3.160 3.318) 4.998 5.966 ( -1.750 3.513 4.322) 5.838 5.995 ( -3.983 5.452 -3.115) 7.436 6.075 ( -8.661 -1.960 -4.430) 9.924 6.171 ( 5.719 -8.117 -3.259) 10.450 6.390 ( 8.144 3.425 1.637) 8.986 6.424 ( 8.019 -0.495 0.891) 8.083 6.806 ( 3.395 13.058 0.721) 13.512 6.868 ( 0.838 9.238 -1.321) 9.369 7.045 ( 0.741 -7.389 2.107) 7.719 7.137 ( -1.761 -9.710 -0.754) 9.897 7.285 ( 0.046 3.042 1.764) 3.517 7.383 ( 5.313 -6.548 -0.269) 8.437 7.517 ( -1.436 1.519 -0.175) 2.098 7.554 ( 1.770 -3.283 1.509) 4.024 7.718 ( -2.457 2.135 1.430) 3.555 7.799 ( -0.015 -6.224 1.891) 6.505 7.870 ( -6.558 1.614 0.459) 6.770 7.932 ( -4.865 -4.232 -0.183) 6.451 8.068 ( -4.185 0.911 3.697) 5.658 8.110 ( -6.155 -2.949 2.283) 7.197 8.241 ( -0.115 5.005 -1.320) 5.178 8.311 ( 0.072 -2.037 -2.199) 2.999 8.395 ( 7.021 2.025 2.246) 7.645 8.438 ( -1.383 -1.886 8.668) 8.978 8.518 ( -4.947 3.430 2.353) 6.464 8.596 ( -3.645 -4.002 3.652) 6.530 8.989 ( 7.133 4.870 -3.921) 9.485 9.052 ( 4.626 -2.316 -5.564) 7.598 9.213 ( 0.823 1.800 3.160) 3.729 9.246 ( -0.374 -0.040 1.110) 1.172 9.309 ( 2.431 1.744 -1.659) 3.421 9.328 ( 0.440 -0.392 -3.862) 3.907 9.458 ( -1.649 1.980 -4.279) 4.995 9.501 ( -0.185 -2.414 -5.344) 5.866 9.631 ( -0.407 6.935 4.101) 8.068 9.793 ( -3.345 -0.641 3.314) 4.752 9.798 ( -2.530 -5.596 3.853) 7.250 9.854 ( -1.837 -1.981 5.890) 6.480 10.052 ( -2.464 4.933 1.236) 5.651 10.080 ( -0.127 5.500 1.053) 5.601 10.139 ( 3.408 2.546 -1.197) 4.419 10.181 ( 3.283 0.719 3.717) 5.010 10.232 ( 1.784 -4.383 3.859) 6.106 10.263 ( -1.754 -4.939 0.719) 5.290 10.494 ( 0.023 3.214 -3.625) 4.845 10.592 ( -0.808 -6.493 -5.393) 8.479 10.745 ( -1.434 9.312 -1.648) 9.565 10.749 ( -4.486 7.603 2.995) 9.322 10.876 ( 0.197 -5.730 3.841) 6.901 10.938 ( -1.200 -8.251 0.321) 8.344 11.038 ( 9.509 2.863 0.192) 9.933 11.105 ( 6.508 -0.559 0.192) 6.535 11.202 ( 0.804 -1.446 -4.214) 4.527 11.268 ( -3.007 -6.953 -1.293) 7.685 11.414 ( 5.414 2.249 -3.677) 6.920 11.425 ( 5.684 2.143 -8.952) 10.818 11.690 ( -3.694 3.234 2.857) 5.680 11.802 ( -4.135 -7.092 -1.141) 8.289 11.954 ( -3.053 10.398 1.465) 10.935 12.125 ( -2.178 -2.697 1.828) 3.919 12.196 ( 1.019 -3.254 1.979) 3.943 12.282 ( 1.273 -8.431 0.792) 8.563 12.433 ( 0.391 3.698 0.431) 3.744 12.488 ( -3.261 -2.042 -2.652) 4.673 12.533 ( -6.344 -0.972 -3.145) 7.147 12.540 ( -4.802 -0.697 -2.808) 5.607 12.673 ( -3.130 3.077 1.351) 4.592 12.752 ( 2.319 -1.731 0.730) 2.984 12.776 ( 0.809 -2.283 0.682) 2.516 12.821 ( -2.126 -4.334 -2.175) 5.295 13.264 ( 3.739 11.267 2.776) 12.192 13.309 ( 1.590 7.828 2.984) 8.527 13.438 ( -0.715 -6.309 -2.743) 6.917 13.476 ( 4.178 -10.216 0.128) 11.038 13.649 ( -4.319 8.601 -12.539) 15.807 13.790 ( 0.459 -3.403 -8.155) 8.849 13.912 ( -1.717 4.909 -6.312) 8.178 14.010 ( 3.785 -6.410 -1.426) 7.579 14.147 ( -5.140 5.805 4.193) 8.815 14.236 ( -3.721 -0.090 0.815) 3.810 14.287 ( -3.046 -0.730 -1.489) 3.468 14.389 ( -0.277 -13.713 -3.193) 14.083 14.763 ( -3.320 4.703 2.437) 6.251 14.840 ( -4.649 -3.127 2.943) 6.329 15.168 ( 1.570 5.890 5.918) 8.496 15.217 ( 5.262 0.913 3.371) 6.315 15.405 ( -0.910 4.324 7.475) 8.683 15.510 ( -0.425 -6.755 5.403) 8.660 15.918 ( 1.623 3.929 -1.882) 4.649 15.982 ( 1.720 -2.860 -2.844) 4.385 16.328 ( -0.269 3.762 1.043) 3.913 16.421 ( -0.361 -6.318 0.922) 6.395 16.595 ( 4.793 1.749 -2.917) 5.877 16.628 ( 4.748 -1.772 -1.639) 5.327 20.444 ( 1.044 2.437 0.334) 2.672 20.488 ( 0.963 -1.413 -1.842) 2.513 20.642 ( -0.400 0.791 3.900) 3.999 20.727 ( -0.499 -7.553 1.006) 7.636 21.525 ( -3.407 7.810 2.053) 8.764 21.608 ( -2.094 1.477 -0.444) 2.601 21.671 ( -3.107 1.345 2.039) 3.952 21.752 ( -6.179 -4.042 -1.802) 7.600 21.969 ( 2.392 6.507 -0.941) 6.996 22.017 ( 7.210 1.655 -0.261) 7.402 22.167 ( -1.854 3.914 0.997) 4.445 22.232 ( -3.060 -1.508 -0.019) 3.411 22.541 ( 1.287 -0.788 0.721) 1.673 22.621 ( -2.997 -7.610 1.946) 8.407 22.875 ( 6.631 9.050 -2.611) 11.519 23.054 ( 12.965 -8.073 1.240) 15.324 23.427 ( 1.676 1.900 -5.324) 5.896 23.477 ( 2.480 -3.025 -5.469) 6.724 23.603 ( -2.956 2.891 -3.359) 5.327 23.677 ( -2.039 -4.915 -3.882) 6.586 24.016 ( -9.779 4.832 7.140) 13.037 24.088 ( -10.429 -3.055 9.341) 14.330 24.617 ( 8.971 9.968 -2.420) 13.627 24.762 ( 12.078 -5.586 -2.276) 13.500 25.934 ( -1.349 0.517 0.405) 1.500 25.949 ( -1.582 -0.936 0.763) 1.990 26.014 ( -1.448 2.660 -0.228) 3.037 26.087 ( -0.396 -4.863 -0.985) 4.977 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -4.726 8.317 5.785) 11.179 1.523 ( -12.547 14.161 -1.622) 18.989 1.560 ( -3.641 -4.938 5.440) 8.200 1.790 ( -8.900 -9.857 -1.480) 13.363 1.945 ( -7.511 8.795 -0.103) 11.567 2.125 ( -9.992 -10.247 -1.843) 14.430 2.284 ( -2.940 -1.130 2.235) 3.862 2.293 ( 2.834 -0.783 0.987) 3.101 2.496 ( -2.550 1.847 -0.997) 3.303 2.539 ( -2.582 -2.083 0.859) 3.427 2.642 ( -4.332 2.328 -2.041) 5.325 2.672 ( -2.634 2.282 -2.057) 4.047 2.711 ( -5.270 -0.010 -0.489) 5.292 2.728 ( -4.881 -0.362 -8.346) 9.675 2.848 ( 5.792 3.532 -0.267) 6.789 2.894 ( 1.226 -0.310 3.551) 3.770 2.919 ( -1.362 4.346 1.962) 4.959 2.971 ( 1.242 1.925 0.857) 2.446 2.999 ( -4.560 1.113 1.589) 4.956 3.051 ( 2.601 -4.016 -1.370) 4.977 3.135 ( -0.354 6.123 0.451) 6.150 3.211 ( -4.961 0.969 1.537) 5.283 3.241 ( -3.806 -2.312 4.309) 6.197 3.269 ( 1.863 -4.074 6.063) 7.539 3.356 ( -0.011 2.167 1.503) 2.637 3.427 ( -3.911 -2.623 -5.723) 7.411 3.473 ( -0.755 1.154 -4.430) 4.640 3.529 ( -3.777 -2.490 3.668) 5.824 3.718 ( -1.683 4.294 -2.753) 5.372 3.755 ( -6.860 2.745 -5.054) 8.952 3.786 ( -6.611 4.940 -0.370) 8.261 3.863 ( -3.054 2.400 -0.285) 3.895 3.962 ( -2.329 -2.417 -2.584) 4.236 3.985 ( -3.374 -5.924 1.058) 6.899 4.046 ( -3.969 0.863 0.850) 4.149 4.121 ( -5.430 -5.669 2.520) 8.245 4.169 ( -4.904 6.971 1.195) 8.606 4.284 ( -0.875 2.862 5.176) 5.979 4.320 ( -5.983 -5.226 4.203) 8.987 4.403 ( 1.273 -5.583 5.494) 7.936 4.575 ( 3.514 6.345 -3.337) 7.984 4.669 ( 0.580 -2.080 0.500) 2.216 4.694 ( 2.077 2.254 -0.024) 3.065 4.761 ( 1.691 -3.951 -2.600) 5.022 4.816 ( 6.178 -0.044 -0.592) 6.206 4.894 ( -0.984 -6.317 -1.239) 6.512 4.949 ( -1.565 4.245 -2.018) 4.954 5.056 ( -0.179 -5.587 -1.980) 5.930 5.335 ( 0.352 4.199 -4.984) 6.527 5.440 ( 5.149 -4.253 -1.994) 6.969 5.468 ( -6.463 2.510 -0.080) 6.934 5.508 ( -4.890 0.551 -0.153) 4.923 5.567 ( -1.703 4.142 -0.170) 4.482 5.611 ( -3.193 0.405 -0.201) 3.225 5.807 ( 1.565 3.274 -2.448) 4.377 5.829 ( -1.583 0.298 -5.982) 6.195 5.908 ( 6.009 0.310 3.968) 7.207 5.973 ( 11.913 -1.610 4.043) 12.683 6.026 ( 4.482 -0.446 4.307) 6.232 6.031 ( 7.385 -0.718 -0.427) 7.432 6.169 ( 12.121 4.267 -1.969) 13.000 6.280 ( 7.912 -6.512 -0.395) 10.255 6.572 ( 9.167 3.356 -0.736) 9.790 6.622 ( 11.893 -2.637 -0.985) 12.222 6.872 ( 2.953 7.939 -1.256) 8.563 6.899 ( 2.897 7.837 0.318) 8.361 7.074 ( 0.588 -2.525 2.212) 3.408 7.122 ( -1.749 -5.310 2.046) 5.953 7.314 ( 3.517 8.490 -1.547) 9.319 7.444 ( 2.367 -4.999 -2.681) 6.146 7.480 ( -1.048 4.209 -2.100) 4.819 7.581 ( -1.528 -6.123 -0.620) 6.341 7.662 ( -3.944 5.482 0.851) 6.806 7.765 ( -7.626 1.589 6.810) 10.347 7.798 ( -2.176 -5.482 1.033) 5.987 7.882 ( -4.474 -7.991 6.402) 11.174 7.962 ( -1.764 -1.242 0.582) 2.234 7.990 ( -3.963 -4.003 0.512) 5.656 8.226 ( -1.971 2.498 0.993) 3.333 8.262 ( -4.177 -0.891 1.391) 4.492 8.440 ( -2.946 3.244 -0.327) 4.394 8.485 ( -1.046 -1.049 3.059) 3.399 8.549 ( 6.921 1.810 1.557) 7.321 8.617 ( 3.758 -4.362 6.664) 8.807 9.087 ( 3.980 3.598 -2.962) 6.129 9.090 ( 2.458 1.726 -3.734) 4.792 9.243 ( 0.810 2.612 -2.966) 4.034 9.257 ( 2.362 0.541 4.087) 4.751 9.289 ( -2.141 0.437 -0.722) 2.301 9.345 ( -1.114 -4.428 1.069) 4.689 9.393 ( -0.638 3.573 -3.410) 4.980 9.492 ( 3.943 -3.146 -6.712) 8.396 9.655 ( 0.652 0.133 2.265) 2.361 9.722 ( -3.855 -6.318 -0.777) 7.442 9.806 ( 1.716 6.954 6.624) 9.756 9.907 ( -0.502 -2.845 4.906) 5.693 9.993 ( -3.770 5.046 6.453) 9.018 10.051 ( -5.995 1.943 2.686) 6.850 10.142 ( 0.006 1.876 -5.524) 5.834 10.174 ( -0.185 1.099 -4.481) 4.617 10.255 ( 0.679 3.214 1.284) 3.527 10.330 ( 1.355 -2.075 3.688) 4.443 10.522 ( 2.398 -0.112 -1.268) 2.715 10.557 ( 2.164 -4.381 0.143) 4.889 10.710 ( 0.064 10.565 -3.229) 11.047 10.736 ( -0.693 7.132 7.360) 10.272 10.901 ( -1.073 -8.686 4.773) 9.969 10.954 ( 2.744 -9.447 0.527) 9.852 11.149 ( -1.050 5.098 -4.548) 6.912 11.200 ( 5.946 -0.470 -4.075) 7.224 11.237 ( 5.894 -3.000 0.727) 6.654 11.304 ( 6.818 -5.979 -1.932) 9.272 11.502 ( 7.693 5.628 -7.623) 12.205 11.528 ( 8.097 3.090 -1.848) 8.862 11.653 ( -3.469 0.126 2.564) 4.316 11.717 ( -3.201 -7.038 -1.127) 7.813 11.881 ( -4.448 6.757 1.062) 8.159 12.035 ( -7.714 -7.734 -0.646) 10.942 12.179 ( -3.508 1.250 -1.623) 4.062 12.208 ( -9.280 -1.449 -4.495) 10.413 12.319 ( -9.172 -0.666 -2.042) 9.420 12.378 ( -7.037 -4.485 -0.552) 8.363 12.445 ( -2.452 -1.609 1.883) 3.486 12.455 ( -2.066 -1.503 3.999) 4.746 12.640 ( -2.062 5.289 3.278) 6.555 12.743 ( -3.785 -4.814 2.574) 6.643 12.800 ( 2.823 -0.111 -3.268) 4.320 12.836 ( 3.984 -2.352 -3.868) 6.030 13.190 ( -11.407 7.894 -7.259) 15.656 13.265 ( -12.851 2.743 1.301) 13.205 13.380 ( 0.244 0.953 -8.113) 8.172 13.430 ( -2.113 -3.587 -5.129) 6.606 13.532 ( -4.220 3.197 -4.268) 6.801 13.705 ( -9.865 -9.167 1.926) 13.604 13.775 ( 1.548 4.794 -8.379) 9.777 13.908 ( -3.476 -7.992 -7.278) 11.355 14.170 ( 0.954 2.221 -3.853) 4.549 14.220 ( -0.690 -0.903 -1.647) 2.001 14.306 ( 1.642 7.137 12.931) 14.861 14.502 ( 3.384 -12.250 11.757) 17.313 14.721 ( 0.547 0.906 -1.729) 2.028 14.747 ( -3.861 -1.585 -1.644) 4.486 15.211 ( -1.114 8.655 5.636) 10.387 15.311 ( 2.313 -1.054 1.721) 3.069 15.467 ( 1.627 3.009 7.624) 8.356 15.548 ( 0.472 -5.937 5.478) 8.092 15.934 ( 1.381 4.325 -2.211) 5.050 16.000 ( 2.079 -2.643 -3.031) 4.527 16.380 ( 4.917 3.425 1.295) 6.131 16.464 ( 4.364 -5.558 0.678) 7.099 16.706 ( 8.177 1.964 -2.223) 8.698 16.742 ( 7.782 -1.828 -1.172) 8.079 20.465 ( 0.941 2.185 -0.593) 2.452 20.485 ( 0.439 0.694 -2.618) 2.744 20.665 ( -0.180 -1.525 4.015) 4.299 20.715 ( -1.566 -6.739 1.028) 6.994 21.435 ( -5.899 7.872 0.972) 9.885 21.514 ( -5.649 1.036 -1.748) 6.003 21.608 ( -6.209 -1.133 2.504) 6.790 21.639 ( -4.953 -3.764 0.807) 6.273 21.935 ( -3.332 9.483 -2.854) 10.449 22.088 ( -2.469 -5.209 -3.519) 6.754 22.180 ( 4.191 4.128 1.495) 6.070 22.239 ( 4.256 -1.296 3.084) 5.413 22.548 ( -0.400 0.803 0.427) 0.993 22.636 ( 1.703 -8.743 2.961) 9.386 23.047 ( 13.342 17.850 -7.848) 23.627 23.282 ( 9.214 -7.150 -3.473) 12.169 23.423 ( 1.268 2.474 -5.184) 5.883 23.480 ( 2.014 -3.550 -8.204) 9.164 23.578 ( 1.821 2.381 5.151) 5.959 23.662 ( 3.484 -5.837 -0.719) 6.835 23.888 ( -7.308 4.475 7.413) 11.331 23.970 ( -6.530 -4.383 9.191) 12.097 24.834 ( 13.511 13.232 -0.795) 18.929 25.028 ( 15.936 -7.438 -1.144) 17.623 25.893 ( -2.955 0.565 0.312) 3.025 25.908 ( -3.018 -1.019 0.547) 3.232 25.960 ( -4.039 3.007 -0.351) 5.047 26.045 ( -3.579 -6.152 -0.763) 7.158 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -11.194 21.422 -3.780) 24.464 1.350 ( -8.497 22.522 8.228) 25.439 1.534 ( -3.433 -11.300 -7.361) 13.916 1.747 ( -0.140 -16.388 8.334) 18.386 1.808 ( -6.039 -0.896 -1.749) 6.351 1.894 ( -7.454 -8.530 -2.074) 11.517 2.259 ( -1.634 11.825 4.747) 12.846 2.330 ( -3.019 -1.128 0.371) 3.245 2.336 ( -5.246 4.787 -8.284) 10.912 2.453 ( -3.043 -1.879 -0.905) 3.690 2.540 ( -5.044 13.982 -3.635) 15.302 2.571 ( -2.258 1.697 -3.224) 4.286 2.636 ( -7.502 6.216 3.037) 10.205 2.697 ( 0.513 0.698 2.214) 2.377 2.768 ( -4.140 2.921 7.177) 8.785 2.775 ( -9.923 3.997 2.987) 11.107 2.837 ( -5.713 -3.175 3.376) 7.357 3.017 ( 1.780 -1.321 -2.034) 3.008 3.066 ( 5.575 3.390 -4.068) 7.689 3.115 ( 5.423 -0.718 -1.867) 5.780 3.174 ( 3.887 -0.467 -0.232) 3.921 3.224 ( 0.969 -1.802 0.941) 2.252 3.288 ( 1.799 -2.972 1.420) 3.753 3.304 ( -0.288 -1.300 -1.177) 1.777 3.362 ( 0.067 -1.143 1.387) 1.799 3.378 ( -3.181 -3.737 0.107) 4.909 3.431 ( -1.426 0.385 3.919) 4.188 3.492 ( -4.963 -5.018 1.636) 7.245 3.535 ( -4.188 0.787 -5.128) 6.667 3.623 ( -5.976 -9.614 -6.069) 12.844 3.732 ( 1.452 1.028 -1.098) 2.091 3.762 ( -3.674 -5.499 -0.850) 6.667 3.908 ( -0.239 3.428 0.215) 3.443 3.970 ( -2.022 -2.016 2.080) 3.532 4.051 ( -5.217 8.915 2.677) 10.670 4.077 ( 2.007 4.874 3.993) 6.613 4.127 ( -0.656 1.211 3.394) 3.663 4.246 ( -2.569 -7.262 2.728) 8.172 4.296 ( -2.970 3.884 3.663) 6.109 4.374 ( -6.317 -5.098 1.804) 8.316 4.586 ( -9.303 2.812 -1.533) 9.839 4.618 ( -0.164 0.321 1.040) 1.101 4.677 ( -1.936 -0.293 2.069) 2.849 4.764 ( 0.676 -6.848 -0.887) 6.938 4.864 ( 3.148 0.271 -2.430) 3.986 4.914 ( 4.744 -1.727 -1.666) 5.317 5.016 ( 4.249 3.169 -1.407) 5.484 5.071 ( 1.650 -2.913 -3.301) 4.702 5.252 ( -2.298 1.997 -3.036) 4.300 5.307 ( -5.112 -2.504 -4.451) 7.226 5.371 ( -6.526 0.905 -0.077) 6.589 5.404 ( -5.126 -1.102 -6.495) 8.347 5.590 ( 2.074 0.104 2.006) 2.888 5.626 ( 3.706 -3.284 0.819) 5.019 5.812 ( 2.295 5.832 -3.510) 7.183 5.881 ( 4.462 0.242 -1.079) 4.597 6.054 ( 2.049 -0.104 5.625) 5.988 6.083 ( 4.330 -2.321 5.108) 7.087 6.187 ( 8.979 1.535 -2.466) 9.438 6.221 ( 10.272 -1.176 -1.877) 10.508 6.394 ( 11.185 3.423 2.238) 11.909 6.455 ( 9.036 -3.060 2.428) 9.844 6.681 ( 3.916 5.147 -4.719) 8.006 6.773 ( 5.333 -5.033 -4.209) 8.455 6.922 ( 0.530 5.760 2.690) 6.380 6.941 ( 2.075 6.271 -3.867) 7.654 7.036 ( -6.742 -2.509 1.934) 7.449 7.075 ( -1.385 -4.969 -1.551) 5.387 7.309 ( -4.268 7.000 0.369) 8.207 7.457 ( -1.449 -3.970 1.828) 4.605 7.502 ( 0.629 2.623 0.539) 2.750 7.552 ( 1.496 -1.680 -1.903) 2.946 7.589 ( 1.712 4.988 -3.493) 6.326 7.677 ( -6.714 3.434 8.905) 11.669 7.754 ( -4.120 -9.549 1.735) 10.544 7.787 ( -5.095 -4.358 6.464) 9.313 8.000 ( -2.110 1.284 1.640) 2.965 8.033 ( 2.040 -1.138 -0.908) 2.506 8.137 ( -4.156 1.437 -6.922) 8.200 8.196 ( 2.955 -5.152 -5.196) 7.891 8.494 ( 7.236 3.802 8.132) 11.530 8.563 ( 7.441 -2.111 6.552) 10.137 8.672 ( 4.887 3.299 1.603) 6.111 8.738 ( 3.415 -2.618 6.278) 7.611 9.087 ( -2.371 3.385 -2.148) 4.657 9.115 ( 2.255 0.501 -0.596) 2.386 9.160 ( -9.068 0.058 -0.243) 9.072 9.202 ( -2.578 -2.161 -4.337) 5.488 9.339 ( 2.442 4.862 0.795) 5.499 9.364 ( 4.814 2.908 2.385) 6.109 9.432 ( 4.487 -2.583 0.511) 5.203 9.538 ( 3.483 -5.084 -4.168) 7.440 9.655 ( -2.530 0.608 1.903) 3.223 9.695 ( 0.229 -4.562 2.983) 5.455 9.875 ( -1.016 0.693 -0.657) 1.394 9.881 ( -4.168 0.966 -1.252) 4.458 9.925 ( -1.539 8.569 6.122) 10.643 10.037 ( -0.639 -1.936 5.563) 5.925 10.131 ( 1.300 4.335 -2.216) 5.039 10.169 ( 1.723 1.194 0.164) 2.102 10.220 ( -2.157 1.893 -5.988) 6.640 10.292 ( -6.948 -5.724 -2.656) 9.386 10.586 ( 5.436 7.729 3.511) 10.081 10.647 ( 4.922 1.753 -1.992) 5.592 10.727 ( 1.847 6.231 4.020) 7.642 10.789 ( -0.954 3.702 7.965) 8.835 10.908 ( -4.055 -8.861 5.832) 11.357 10.960 ( -0.923 -8.767 -3.888) 9.635 11.116 ( 2.489 2.367 -3.050) 4.594 11.224 ( 0.680 -9.366 -7.263) 11.871 11.323 ( 0.155 2.482 1.479) 2.893 11.338 ( -2.609 1.191 -1.435) 3.207 11.533 ( -1.133 1.823 -3.072) 3.748 11.592 ( -1.904 -2.822 -4.841) 5.918 11.671 ( 7.705 4.764 -2.173) 9.316 11.735 ( 6.021 -2.478 -1.580) 6.700 11.844 ( 0.409 0.663 2.507) 2.625 11.897 ( -2.717 -4.286 -2.581) 5.693 12.012 ( -4.590 1.763 -3.096) 5.810 12.094 ( -2.796 -5.954 -0.429) 6.592 12.198 ( -4.598 3.290 0.645) 5.690 12.272 ( -5.079 -3.039 -0.417) 5.934 12.354 ( -9.305 0.426 1.468) 9.430 12.406 ( -5.247 -4.814 -0.760) 7.161 12.614 ( -4.179 2.486 -0.734) 4.917 12.671 ( -4.470 -2.444 -0.330) 5.105 12.802 ( -2.288 0.701 -9.529) 9.825 12.814 ( -2.473 -0.172 -12.425) 12.670 12.954 ( -4.593 3.308 -4.703) 7.359 12.990 ( -5.128 1.051 0.047) 5.235 13.339 ( -5.932 2.900 8.463) 10.734 13.385 ( -1.542 1.162 -3.742) 4.210 13.433 ( 1.089 -3.775 -3.127) 5.021 13.540 ( -6.635 -7.275 2.628) 10.191 13.819 ( 4.511 2.653 -3.567) 6.333 13.905 ( 4.944 -4.892 -6.323) 9.400 14.122 ( -2.007 2.495 -4.558) 5.570 14.163 ( -2.660 -1.314 -3.703) 4.745 14.355 ( -4.651 7.836 9.868) 13.431 14.474 ( -9.964 -4.877 3.534) 11.642 14.780 ( 4.971 -0.408 0.574) 5.020 14.812 ( 6.361 -3.831 6.517) 9.879 15.215 ( -2.021 9.302 5.827) 11.160 15.334 ( -0.411 -2.242 1.458) 2.706 15.535 ( 0.240 1.394 6.397) 6.552 15.592 ( 0.165 -5.122 5.901) 7.816 15.940 ( 1.087 4.890 -2.901) 5.788 16.016 ( 1.695 -3.188 -2.792) 4.564 16.499 ( 5.318 3.255 2.963) 6.903 16.572 ( 5.310 -4.506 2.082) 7.269 16.835 ( 6.468 2.024 -2.161) 7.114 16.870 ( 6.234 -1.588 -1.776) 6.674 20.464 ( 0.328 2.108 -1.679) 2.715 20.487 ( 1.409 0.215 -1.942) 2.409 20.671 ( -2.070 -2.319 1.405) 3.412 20.679 ( -2.378 -2.972 0.246) 3.814 21.356 ( -2.944 5.771 0.971) 6.551 21.419 ( -2.983 -0.069 -1.125) 3.189 21.505 ( -5.014 1.778 1.413) 5.504 21.568 ( -3.427 -4.494 1.022) 5.744 21.864 ( -2.740 8.900 0.348) 9.319 22.011 ( -2.678 -6.204 0.556) 6.780 22.270 ( 3.519 4.438 -0.304) 5.672 22.327 ( 2.785 -0.898 0.744) 3.019 22.551 ( 0.112 3.331 0.714) 3.409 22.670 ( 0.565 -8.083 -0.857) 8.148 23.152 ( 5.902 11.701 -17.114) 21.555 23.323 ( 1.469 -5.403 -8.128) 9.870 23.423 ( 1.649 1.597 -1.911) 2.987 23.477 ( 2.162 -4.325 -4.124) 6.355 23.670 ( 0.861 1.175 -0.174) 1.467 23.703 ( -0.843 -2.306 -1.511) 2.883 23.944 ( 7.884 5.673 16.876) 19.472 24.056 ( 7.012 -6.640 11.551) 15.056 25.063 ( 9.953 15.034 2.282) 18.174 25.293 ( 12.330 -9.082 -0.491) 15.322 25.842 ( -2.359 0.620 0.147) 2.443 25.855 ( -2.652 -0.778 0.176) 2.769 25.873 ( -4.355 1.957 -0.218) 4.779 25.941 ( -6.959 -5.824 -0.460) 9.086 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -1.993 0.000 25.871) 25.948 1.164 ( -0.945 0.000 22.916) 22.936 1.323 ( 2.085 0.000 6.033) 6.383 1.507 ( -9.439 0.000 -13.455) 16.435 1.584 ( 11.134 0.000 -5.599) 12.462 1.791 ( -0.533 0.000 -12.258) 12.270 2.041 ( -1.580 0.000 5.596) 5.814 2.240 ( -3.861 0.000 -8.221) 9.083 2.361 ( -0.094 0.000 4.722) 4.723 2.371 ( 0.213 0.000 3.236) 3.243 2.475 ( 1.405 0.000 -1.234) 1.870 2.499 ( 2.331 0.000 -3.696) 4.369 2.690 ( 6.003 0.000 4.057) 7.245 2.748 ( -2.280 0.000 -1.459) 2.707 2.758 ( -0.441 0.000 5.701) 5.718 2.799 ( -1.949 0.000 -0.694) 2.069 2.823 ( -2.686 0.000 -2.222) 3.486 2.851 ( 1.330 0.000 0.703) 1.504 2.915 ( -0.224 0.000 4.601) 4.607 3.008 ( 2.591 0.000 -1.359) 2.926 3.066 ( -5.668 0.000 4.757) 7.400 3.243 ( 2.720 0.000 3.650) 4.552 3.276 ( -1.646 0.000 -2.809) 3.255 3.349 ( -2.885 0.000 -10.421) 10.813 3.442 ( 1.644 0.000 0.715) 1.792 3.467 ( 4.248 0.000 0.146) 4.251 3.481 ( 2.864 0.000 -6.785) 7.365 3.503 ( -1.564 0.000 0.015) 1.564 3.547 ( 3.300 0.000 -1.121) 3.486 3.553 ( -2.646 0.000 -2.122) 3.391 3.737 ( -8.452 0.000 0.773) 8.487 3.751 ( -0.225 0.000 -0.709) 0.744 3.787 ( 1.356 0.000 -2.936) 3.234 3.823 ( 5.635 0.000 -4.802) 7.403 3.946 ( -1.115 0.000 2.432) 2.676 3.979 ( 4.226 0.000 -0.693) 4.282 4.247 ( -5.044 0.000 3.443) 6.107 4.291 ( 0.785 0.000 3.833) 3.912 4.341 ( 2.412 0.000 2.924) 3.790 4.460 ( 0.551 0.000 -4.308) 4.343 4.636 ( -9.291 0.000 -3.286) 9.855 4.664 ( 4.101 0.000 0.668) 4.155 4.713 ( 0.711 0.000 -2.785) 2.875 4.751 ( 0.188 0.000 -1.430) 1.442 4.929 ( 4.103 0.000 2.457) 4.783 4.995 ( -6.462 0.000 -1.438) 6.620 5.058 ( 1.540 0.000 7.808) 7.959 5.070 ( -0.490 0.000 6.180) 6.200 5.162 ( 0.839 0.000 -3.210) 3.318 5.229 ( 1.732 0.000 -6.214) 6.451 5.406 ( 0.278 0.000 -0.056) 0.284 5.414 ( -1.216 0.000 -0.839) 1.478 5.687 ( 6.047 0.000 7.790) 9.862 5.788 ( -5.786 0.000 4.525) 7.345 5.847 ( -4.600 0.000 -7.711) 8.979 5.871 ( 7.299 0.000 -2.298) 7.652 6.112 ( 0.415 0.000 2.182) 2.221 6.180 ( 1.683 0.000 -4.918) 5.198 6.343 ( 3.900 0.000 -0.926) 4.009 6.372 ( -2.528 0.000 -1.871) 3.145 6.385 ( 2.118 0.000 4.705) 5.159 6.443 ( -3.854 0.000 -3.283) 5.063 6.649 ( -11.765 0.000 0.451) 11.773 6.667 ( 8.443 0.000 -1.161) 8.522 6.815 ( 7.769 0.000 1.045) 7.839 6.826 ( -8.037 0.000 -0.072) 8.037 7.013 ( -2.156 0.000 1.912) 2.882 7.070 ( 6.046 0.000 -3.967) 7.231 7.268 ( -2.782 0.000 0.381) 2.808 7.280 ( 7.345 0.000 1.112) 7.428 7.327 ( -3.772 0.000 4.665) 6.000 7.438 ( -3.683 0.000 -5.325) 6.475 7.613 ( -5.085 0.000 5.910) 7.796 7.682 ( -0.065 0.000 -1.619) 1.620 7.896 ( -9.199 0.000 3.760) 9.938 7.917 ( 4.589 0.000 -0.116) 4.590 8.024 ( 13.338 0.000 1.222) 13.394 8.083 ( -8.625 0.000 -5.887) 10.443 8.284 ( -4.990 0.000 1.715) 5.276 8.297 ( 5.774 0.000 1.661) 6.009 8.567 ( 0.706 0.000 5.765) 5.809 8.589 ( -1.119 0.000 3.369) 3.550 8.668 ( 2.005 0.000 -0.471) 2.060 8.734 ( 1.267 0.000 -6.802) 6.919 9.043 ( -1.620 0.000 1.464) 2.184 9.084 ( -0.288 0.000 -1.679) 1.704 9.190 ( -3.187 0.000 4.360) 5.401 9.267 ( 2.001 0.000 -3.301) 3.860 9.333 ( -8.112 0.000 2.700) 8.550 9.354 ( 9.579 0.000 0.076) 9.580 9.433 ( 6.768 0.000 2.342) 7.162 9.487 ( -0.306 0.000 0.691) 0.756 9.575 ( 1.667 0.000 2.368) 2.896 9.691 ( -4.643 0.000 -5.603) 7.277 9.698 ( -2.750 0.000 -5.825) 6.441 9.742 ( -0.171 0.000 -10.149) 10.150 9.972 ( -3.110 0.000 3.906) 4.992 10.009 ( 6.635 0.000 8.855) 11.065 10.082 ( 4.878 0.000 -5.615) 7.438 10.115 ( -15.188 0.000 -1.446) 15.256 10.317 ( 5.200 0.000 7.319) 8.979 10.448 ( -2.518 0.000 9.342) 9.675 10.480 ( -1.318 0.000 -6.315) 6.451 10.594 ( -0.658 0.000 -4.861) 4.906 10.622 ( 9.291 0.000 3.354) 9.878 10.705 ( -9.058 0.000 -5.097) 10.393 10.998 ( -7.484 0.000 4.130) 8.548 11.096 ( 3.434 0.000 -4.166) 5.399 11.164 ( -3.507 0.000 4.652) 5.825 11.241 ( 9.573 0.000 -3.278) 10.119 11.462 ( -2.431 0.000 2.828) 3.729 11.521 ( 7.353 0.000 -1.261) 7.460 11.565 ( 1.103 0.000 -0.292) 1.141 11.585 ( -2.147 0.000 -0.321) 2.171 11.732 ( 3.607 0.000 -0.870) 3.710 11.740 ( -3.063 0.000 4.548) 5.483 11.814 ( 5.125 0.000 0.836) 5.193 11.888 ( -3.949 0.000 -0.198) 3.954 11.892 ( -3.599 0.000 -2.214) 4.225 11.953 ( 3.363 0.000 -6.716) 7.511 12.217 ( -1.534 0.000 3.675) 3.982 12.254 ( 2.064 0.000 -1.734) 2.696 12.287 ( 4.318 0.000 9.238) 10.197 12.471 ( -2.329 0.000 10.686) 10.937 12.478 ( -5.660 0.000 -9.035) 10.662 12.581 ( 1.510 0.000 4.091) 4.361 12.614 ( 1.005 0.000 -5.721) 5.808 12.648 ( -0.854 0.000 -3.662) 3.761 12.703 ( 2.038 0.000 0.868) 2.216 12.794 ( -5.096 0.000 -6.128) 7.970 13.269 ( 0.723 0.000 0.738) 1.033 13.421 ( 4.970 0.000 -15.584) 16.357 13.736 ( 1.672 0.000 1.901) 2.531 13.741 ( 3.008 0.000 2.076) 3.655 13.790 ( -1.378 0.000 6.777) 6.915 13.917 ( 0.482 0.000 -6.010) 6.029 13.950 ( 4.646 0.000 0.383) 4.662 13.967 ( -5.242 0.000 -0.715) 5.290 14.307 ( 0.701 0.000 6.164) 6.203 14.375 ( -0.442 0.000 -0.909) 1.011 14.864 ( -1.401 0.000 1.640) 2.157 14.884 ( -0.974 0.000 -1.044) 1.428 15.226 ( -0.540 0.000 5.565) 5.591 15.288 ( -0.562 0.000 -0.608) 0.829 15.665 ( -0.766 0.000 -0.221) 0.797 15.694 ( 0.862 0.000 -2.598) 2.737 16.065 ( -5.082 0.000 0.301) 5.091 16.070 ( 3.308 0.000 -0.458) 3.339 16.628 ( -0.314 0.000 6.089) 6.097 16.739 ( 0.485 0.000 -5.461) 5.482 16.811 ( 0.794 0.000 3.339) 3.432 16.869 ( -0.470 0.000 -2.516) 2.559 20.395 ( -1.439 0.000 0.349) 1.480 20.405 ( 1.755 0.000 -0.697) 1.888 20.642 ( -0.986 0.000 1.134) 1.502 20.673 ( -1.326 0.000 -2.125) 2.505 21.276 ( -0.083 0.000 2.755) 2.756 21.320 ( -0.132 0.000 -1.851) 1.856 21.391 ( -1.082 0.000 1.810) 2.108 21.430 ( 0.735 0.000 -2.349) 2.461 21.695 ( -1.890 0.000 4.189) 4.596 21.766 ( 0.902 0.000 -3.096) 3.224 22.205 ( -0.057 0.000 2.181) 2.182 22.227 ( 1.139 0.000 0.083) 1.142 22.540 ( -2.237 0.000 2.521) 3.370 22.566 ( 2.344 0.000 -0.206) 2.353 23.386 ( 2.614 0.000 1.523) 3.026 23.408 ( 4.881 0.000 4.026) 6.327 23.425 ( -0.565 0.000 -2.331) 2.399 23.512 ( -4.886 0.000 -6.502) 8.134 23.602 ( 0.797 0.000 0.356) 0.873 23.641 ( -1.446 0.000 -3.364) 3.661 24.289 ( -0.400 0.000 9.486) 9.494 24.446 ( 0.507 0.000 -6.914) 6.932 25.389 ( 10.675 0.000 1.675) 10.806 25.423 ( -4.929 0.000 -1.801) 5.247 25.810 ( 0.389 0.000 0.202) 0.438 25.816 ( -0.743 0.000 -0.383) 0.836 25.856 ( 4.424 0.000 0.374) 4.440 25.862 ( -8.494 0.000 -0.215) 8.497 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -5.901 0.000 -9.019) 10.778 1.105 ( -0.318 0.000 18.332) 18.335 1.591 ( 12.476 0.000 19.799) 23.402 1.615 ( 13.142 0.000 -11.546) 17.493 1.785 ( 11.101 0.000 -10.267) 15.121 1.844 ( 18.274 0.000 -4.388) 18.793 2.181 ( 2.035 0.000 -7.373) 7.649 2.190 ( 8.463 0.000 16.941) 18.937 2.337 ( -2.711 0.000 1.946) 3.337 2.383 ( 1.142 0.000 -0.993) 1.514 2.504 ( 0.719 0.000 -5.771) 5.816 2.509 ( 4.601 0.000 -2.273) 5.132 2.698 ( 2.129 0.000 -2.479) 3.268 2.719 ( -2.580 0.000 -0.186) 2.586 2.774 ( -2.001 0.000 -1.534) 2.522 2.839 ( 7.931 0.000 3.049) 8.497 2.891 ( 0.079 0.000 2.569) 2.571 2.904 ( 4.908 0.000 -1.075) 5.024 2.992 ( 6.299 0.000 2.268) 6.695 3.049 ( 1.013 0.000 -1.700) 1.979 3.099 ( 0.542 0.000 18.409) 18.417 3.227 ( -2.289 0.000 -3.464) 4.152 3.306 ( 7.043 0.000 -5.540) 8.961 3.313 ( 2.526 0.000 3.232) 4.102 3.405 ( -4.467 0.000 0.856) 4.548 3.426 ( -0.514 0.000 -10.481) 10.494 3.431 ( -3.117 0.000 -4.811) 5.732 3.530 ( 2.196 0.000 -0.742) 2.318 3.543 ( 3.914 0.000 2.717) 4.765 3.623 ( 3.969 0.000 -5.128) 6.484 3.633 ( -6.057 0.000 4.841) 7.754 3.740 ( 0.217 0.000 -1.614) 1.628 3.744 ( -2.870 0.000 2.248) 3.645 3.941 ( 7.059 0.000 -3.092) 7.707 3.969 ( 2.102 0.000 -3.631) 4.196 3.986 ( -1.146 0.000 -1.641) 2.001 4.205 ( -1.560 0.000 6.398) 6.586 4.378 ( 4.261 0.000 -6.757) 7.988 4.418 ( 5.640 0.000 11.226) 12.564 4.426 ( -4.754 0.000 -8.509) 9.747 4.546 ( 3.075 0.000 3.626) 4.755 4.696 ( -2.166 0.000 2.242) 3.117 4.742 ( -0.109 0.000 2.238) 2.241 4.805 ( 8.493 0.000 -2.857) 8.961 4.887 ( -4.634 0.000 -0.001) 4.634 5.046 ( 5.365 0.000 3.208) 6.251 5.105 ( 0.201 0.000 2.145) 2.154 5.113 ( -1.533 0.000 1.649) 2.252 5.200 ( 8.361 0.000 -1.067) 8.429 5.215 ( -0.221 0.000 -5.775) 5.779 5.352 ( -4.293 0.000 -0.982) 4.404 5.445 ( 3.078 0.000 2.283) 3.832 5.570 ( -14.588 0.000 -0.299) 14.591 5.676 ( -10.209 0.000 -3.561) 10.812 5.787 ( -1.460 0.000 6.457) 6.620 5.870 ( -2.862 0.000 -7.192) 7.740 6.034 ( -8.688 0.000 -1.092) 8.757 6.093 ( -6.822 0.000 -4.431) 8.135 6.262 ( -3.400 0.000 -0.677) 3.467 6.292 ( -7.269 0.000 2.083) 7.561 6.360 ( -6.658 0.000 -0.467) 6.674 6.362 ( -9.746 0.000 0.679) 9.770 6.577 ( 2.150 0.000 3.695) 4.275 6.695 ( -5.236 0.000 0.189) 5.239 6.805 ( 0.013 0.000 1.558) 1.558 6.936 ( -5.818 0.000 -0.803) 5.873 6.953 ( 0.711 0.000 -1.225) 1.417 7.056 ( 0.740 0.000 -4.411) 4.472 7.150 ( -1.975 0.000 -0.838) 2.146 7.261 ( -1.222 0.000 1.725) 2.114 7.411 ( 5.570 0.000 4.757) 7.325 7.472 ( 7.851 0.000 4.122) 8.868 7.694 ( 4.462 0.000 1.738) 4.788 7.723 ( 3.971 0.000 2.300) 4.589 7.815 ( -1.869 0.000 2.648) 3.241 7.917 ( -2.371 0.000 -7.026) 7.415 8.037 ( 6.009 0.000 1.561) 6.208 8.180 ( -6.021 0.000 0.346) 6.031 8.245 ( 7.552 0.000 3.373) 8.271 8.370 ( -0.069 0.000 0.972) 0.974 8.563 ( -3.592 0.000 2.562) 4.412 8.593 ( -0.456 0.000 2.594) 2.634 8.694 ( 0.097 0.000 0.474) 0.484 8.704 ( 1.419 0.000 -7.998) 8.122 8.986 ( -7.537 0.000 1.104) 7.618 9.065 ( 1.789 0.000 -0.371) 1.827 9.113 ( -3.616 0.000 -1.158) 3.797 9.232 ( -4.110 0.000 0.314) 4.122 9.347 ( 2.810 0.000 -2.304) 3.634 9.391 ( -1.523 0.000 -3.213) 3.555 9.510 ( 4.507 0.000 -0.143) 4.509 9.536 ( -5.008 0.000 0.534) 5.037 9.579 ( 5.696 0.000 4.861) 7.488 9.632 ( -2.421 0.000 2.334) 3.363 9.707 ( 5.893 0.000 5.655) 8.167 9.743 ( 3.142 0.000 -8.912) 9.449 9.768 ( -14.650 0.000 2.938) 14.942 9.994 ( 0.693 0.000 3.805) 3.867 10.094 ( 3.711 0.000 -3.514) 5.111 10.206 ( 3.315 0.000 8.031) 8.688 10.376 ( -4.691 0.000 -0.031) 4.691 10.399 ( 1.125 0.000 -10.063) 10.125 10.451 ( -2.375 0.000 7.910) 8.259 10.505 ( -5.443 0.000 -7.484) 9.254 10.562 ( 3.132 0.000 3.792) 4.918 10.682 ( -3.999 0.000 7.330) 8.350 10.965 ( -1.613 0.000 6.325) 6.528 11.092 ( -5.698 0.000 0.025) 5.698 11.269 ( -1.945 0.000 -4.309) 4.728 11.299 ( 10.354 0.000 -10.325) 14.622 11.395 ( -6.594 0.000 -0.559) 6.617 11.498 ( -8.569 0.000 1.148) 8.646 11.563 ( 1.948 0.000 -2.637) 3.279 11.579 ( -2.649 0.000 -0.274) 2.663 11.677 ( -0.573 0.000 -1.618) 1.716 11.804 ( 9.300 0.000 -2.619) 9.662 11.851 ( -1.220 0.000 6.035) 6.158 11.900 ( 3.190 0.000 -6.935) 7.633 12.082 ( 15.980 0.000 6.160) 17.126 12.101 ( 14.989 0.000 -3.627) 15.422 12.244 ( 4.784 0.000 1.408) 4.987 12.329 ( 2.744 0.000 -6.487) 7.044 12.358 ( 2.558 0.000 -0.964) 2.733 12.482 ( 7.520 0.000 10.460) 12.883 12.498 ( -4.403 0.000 -6.456) 7.815 12.538 ( 2.391 0.000 0.733) 2.501 12.678 ( 3.921 0.000 4.176) 5.728 12.703 ( 1.335 0.000 -1.761) 2.210 12.740 ( 6.071 0.000 -6.060) 8.578 12.811 ( 6.975 0.000 7.793) 10.459 13.389 ( 10.380 0.000 3.515) 10.959 13.514 ( 13.863 0.000 -16.931) 21.882 13.675 ( -5.768 0.000 -3.464) 6.729 13.708 ( -2.782 0.000 -2.979) 4.076 13.843 ( -1.951 0.000 1.238) 2.311 13.871 ( 2.199 0.000 3.207) 3.888 13.950 ( 1.375 0.000 -5.533) 5.701 14.066 ( 6.101 0.000 2.039) 6.433 14.386 ( 3.532 0.000 3.939) 5.291 14.421 ( 7.535 0.000 -2.765) 8.026 14.850 ( -2.734 0.000 0.930) 2.888 14.858 ( -1.165 0.000 4.004) 4.170 15.205 ( -4.827 0.000 5.187) 7.086 15.222 ( -5.649 0.000 -2.172) 6.052 15.639 ( -2.469 0.000 1.398) 2.837 15.690 ( 0.077 0.000 -1.525) 1.527 15.948 ( -7.508 0.000 2.839) 8.027 16.101 ( -0.076 0.000 0.042) 0.087 16.606 ( -5.985 0.000 5.829) 8.354 16.662 ( -4.245 0.000 -6.027) 7.372 16.791 ( -5.364 0.000 -3.394) 6.348 16.798 ( -3.920 0.000 3.149) 5.028 20.376 ( -0.639 0.000 0.227) 0.678 20.434 ( 1.660 0.000 -1.066) 1.973 20.691 ( 3.371 0.000 1.536) 3.705 20.723 ( 7.282 0.000 1.338) 7.403 21.245 ( -3.951 0.000 2.969) 4.942 21.286 ( -0.648 0.000 -2.023) 2.124 21.461 ( 6.033 0.000 1.831) 6.304 21.486 ( 5.657 0.000 -1.459) 5.842 21.739 ( 3.095 0.000 4.610) 5.553 21.802 ( 4.278 0.000 -2.337) 4.875 22.187 ( -2.642 0.000 0.552) 2.699 22.207 ( -2.943 0.000 -1.697) 3.397 22.528 ( 0.222 0.000 1.258) 1.277 22.615 ( 3.184 0.000 -1.194) 3.400 23.314 ( -7.105 0.000 -3.531) 7.934 23.400 ( -1.800 0.000 -0.992) 2.055 23.441 ( 0.612 0.000 -6.154) 6.184 23.508 ( -2.143 0.000 2.082) 2.988 23.606 ( -1.585 0.000 1.321) 2.063 23.629 ( 6.289 0.000 2.367) 6.720 24.257 ( -8.794 0.000 9.694) 13.089 24.339 ( -5.590 0.000 -8.522) 10.192 25.166 ( -16.403 0.000 -9.534) 18.973 25.240 ( -20.146 0.000 8.494) 21.864 25.827 ( 2.149 0.000 -0.204) 2.159 25.836 ( 2.831 0.000 0.110) 2.834 25.930 ( 9.051 0.000 -3.107) 9.569 25.989 ( 5.749 0.000 3.985) 6.995 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 11.553 0.000 -0.926) 11.590 1.317 ( 10.410 0.000 10.925) 15.091 1.724 ( 11.303 0.000 -14.018) 18.008 1.938 ( 8.743 0.000 -2.666) 9.140 1.983 ( 14.842 0.000 12.634) 19.491 2.066 ( 5.861 0.000 0.415) 5.875 2.140 ( -4.589 0.000 2.187) 5.083 2.410 ( 8.060 0.000 0.534) 8.077 2.423 ( 2.239 0.000 6.424) 6.803 2.450 ( 9.678 0.000 -6.643) 11.738 2.513 ( 5.203 0.000 -3.007) 6.009 2.609 ( 4.002 0.000 0.327) 4.015 2.679 ( -2.072 0.000 2.234) 3.047 2.703 ( -0.698 0.000 3.528) 3.596 2.794 ( 5.223 0.000 0.479) 5.245 2.909 ( 1.565 0.000 2.465) 2.920 2.921 ( -6.126 0.000 -1.029) 6.211 2.965 ( -2.175 0.000 1.645) 2.727 2.967 ( 0.614 0.000 -0.939) 1.122 3.065 ( 5.478 0.000 -0.849) 5.543 3.246 ( 5.224 0.000 1.728) 5.502 3.299 ( 7.932 0.000 -2.097) 8.205 3.303 ( -4.631 0.000 -0.582) 4.667 3.345 ( -5.027 0.000 1.394) 5.217 3.389 ( 5.268 0.000 -8.929) 10.367 3.405 ( 4.768 0.000 -6.683) 8.209 3.481 ( 2.012 0.000 10.773) 10.960 3.571 ( 4.657 0.000 -5.439) 7.160 3.605 ( 0.718 0.000 -7.869) 7.901 3.640 ( 6.696 0.000 10.556) 12.501 3.654 ( 0.308 0.000 2.534) 2.553 3.739 ( 4.855 0.000 4.568) 6.666 3.753 ( 4.628 0.000 -5.626) 7.285 3.860 ( -7.879 0.000 1.039) 7.948 4.035 ( 9.211 0.000 -2.022) 9.430 4.084 ( 5.818 0.000 -2.096) 6.184 4.176 ( -6.373 0.000 4.378) 7.732 4.380 ( 5.355 0.000 -3.543) 6.421 4.419 ( 2.652 0.000 -9.481) 9.845 4.583 ( 0.367 0.000 11.411) 11.417 4.612 ( 1.284 0.000 -1.195) 1.754 4.620 ( -2.730 0.000 4.306) 5.098 4.807 ( -1.386 0.000 2.619) 2.963 4.830 ( 4.335 0.000 3.067) 5.311 4.850 ( -10.706 0.000 -3.897) 11.393 4.965 ( -8.090 0.000 -8.199) 11.518 5.073 ( -1.719 0.000 -3.531) 3.927 5.095 ( -1.042 0.000 2.970) 3.147 5.223 ( 3.309 0.000 0.065) 3.310 5.256 ( -7.387 0.000 8.963) 11.614 5.387 ( 8.018 0.000 0.597) 8.040 5.429 ( 0.054 0.000 0.201) 0.208 5.508 ( 0.537 0.000 3.302) 3.346 5.530 ( -1.688 0.000 0.862) 1.895 5.668 ( -7.607 0.000 -9.560) 12.217 5.769 ( -5.461 0.000 1.004) 5.553 5.882 ( -3.804 0.000 -4.079) 5.577 5.904 ( -10.548 0.000 -0.329) 10.553 6.175 ( -6.030 0.000 -1.376) 6.185 6.181 ( -4.073 0.000 -0.118) 4.074 6.188 ( -8.263 0.000 0.894) 8.311 6.211 ( -8.717 0.000 2.126) 8.973 6.557 ( -8.451 0.000 -0.238) 8.454 6.608 ( -6.413 0.000 0.351) 6.423 6.639 ( -11.124 0.000 -0.352) 11.130 6.721 ( -4.018 0.000 0.119) 4.020 7.041 ( 6.091 0.000 -1.100) 6.189 7.161 ( 6.211 0.000 1.092) 6.307 7.253 ( 8.978 0.000 -2.564) 9.336 7.297 ( 4.188 0.000 0.040) 4.188 7.525 ( 1.475 0.000 -1.173) 1.884 7.583 ( -0.201 0.000 4.915) 4.919 7.769 ( 3.479 0.000 4.050) 5.339 7.794 ( 3.304 0.000 -1.002) 3.452 7.858 ( 7.285 0.000 3.060) 7.901 7.993 ( 8.563 0.000 2.672) 8.970 8.100 ( -2.412 0.000 -0.265) 2.426 8.126 ( 2.702 0.000 0.393) 2.730 8.297 ( -6.343 0.000 -1.199) 6.455 8.331 ( 0.067 0.000 2.441) 2.442 8.501 ( -5.779 0.000 6.159) 8.445 8.595 ( -0.950 0.000 1.713) 1.959 8.660 ( -2.334 0.000 -3.494) 4.202 8.679 ( 0.326 0.000 -5.291) 5.301 8.867 ( -6.527 0.000 5.950) 8.831 9.034 ( -1.535 0.000 -9.662) 9.783 9.078 ( 0.581 0.000 -4.493) 4.530 9.159 ( -4.043 0.000 2.449) 4.726 9.348 ( 0.471 0.000 3.051) 3.087 9.374 ( -0.735 0.000 1.222) 1.426 9.474 ( -7.922 0.000 -0.539) 7.940 9.555 ( 2.898 0.000 -3.715) 4.712 9.646 ( 7.361 0.000 6.009) 9.502 9.687 ( 2.970 0.000 -2.761) 4.055 9.728 ( -0.008 0.000 3.850) 3.850 9.733 ( 1.641 0.000 3.022) 3.439 9.837 ( 2.827 0.000 6.755) 7.323 10.047 ( 2.091 0.000 2.958) 3.622 10.129 ( 2.672 0.000 0.907) 2.822 10.239 ( -2.022 0.000 -7.798) 8.055 10.288 ( -1.872 0.000 1.445) 2.365 10.404 ( 0.826 0.000 1.125) 1.396 10.454 ( 4.275 0.000 -3.932) 5.808 10.469 ( 4.905 0.000 -3.768) 6.185 10.626 ( -5.513 0.000 3.354) 6.453 10.702 ( 4.180 0.000 8.338) 9.327 10.959 ( -3.670 0.000 0.307) 3.683 10.984 ( -3.675 0.000 3.407) 5.011 11.108 ( -5.149 0.000 -10.823) 11.986 11.235 ( -6.747 0.000 -1.539) 6.920 11.300 ( -11.963 0.000 2.110) 12.147 11.353 ( -2.506 0.000 -3.403) 4.226 11.465 ( -6.173 0.000 -2.762) 6.763 11.575 ( 1.023 0.000 -9.025) 9.083 11.717 ( 1.097 0.000 4.274) 4.413 11.897 ( -0.920 0.000 13.722) 13.753 11.922 ( 7.236 0.000 -8.551) 11.202 12.048 ( 10.610 0.000 3.778) 11.262 12.200 ( 0.722 0.000 -3.038) 3.123 12.269 ( 1.914 0.000 2.320) 3.008 12.385 ( 2.377 0.000 -5.240) 5.754 12.442 ( 11.231 0.000 -0.738) 11.255 12.449 ( 11.783 0.000 -0.652) 11.801 12.523 ( 8.144 0.000 -1.463) 8.274 12.554 ( 2.606 0.000 1.162) 2.853 12.677 ( 3.185 0.000 4.399) 5.431 12.730 ( 5.132 0.000 -4.645) 6.922 12.803 ( 8.889 0.000 5.075) 10.236 12.855 ( 7.567 0.000 0.050) 7.568 12.947 ( 1.932 0.000 6.578) 6.856 13.486 ( -2.353 0.000 -5.873) 6.326 13.512 ( -6.021 0.000 -9.813) 11.513 13.641 ( 8.792 0.000 -13.613) 16.205 13.745 ( 5.903 0.000 3.108) 6.671 13.851 ( -2.843 0.000 -3.897) 4.824 13.889 ( -0.504 0.000 -0.755) 0.908 13.965 ( 6.921 0.000 4.048) 8.018 14.194 ( 6.494 0.000 2.054) 6.811 14.484 ( 4.075 0.000 4.608) 6.151 14.609 ( 13.732 0.000 -4.566) 14.471 14.792 ( -4.934 0.000 3.550) 6.078 14.870 ( -0.983 0.000 4.244) 4.357 15.059 ( -8.480 0.000 -4.834) 9.761 15.141 ( -5.003 0.000 4.666) 6.841 15.592 ( -4.941 0.000 6.202) 7.930 15.676 ( -0.605 0.000 -0.703) 0.928 15.855 ( -4.490 0.000 3.458) 5.667 16.064 ( -2.942 0.000 -2.656) 3.963 16.498 ( -8.849 0.000 4.986) 10.157 16.530 ( -4.618 0.000 -6.662) 8.106 16.667 ( -4.634 0.000 -2.370) 5.205 16.730 ( -4.857 0.000 2.442) 5.436 20.376 ( 0.331 0.000 0.386) 0.508 20.447 ( 0.630 0.000 -1.621) 1.739 20.794 ( 3.406 0.000 7.627) 8.353 20.880 ( 7.996 0.000 0.046) 7.996 21.206 ( -1.556 0.000 3.161) 3.523 21.294 ( 2.573 0.000 -1.348) 2.905 21.605 ( 7.468 0.000 -0.240) 7.472 21.605 ( 7.615 0.000 1.919) 7.853 21.842 ( 4.253 0.000 3.670) 5.618 21.868 ( 3.702 0.000 -1.305) 3.926 22.105 ( -6.086 0.000 -2.490) 6.576 22.124 ( -3.980 0.000 -0.095) 3.981 22.579 ( 4.923 0.000 -0.160) 4.926 22.660 ( 3.463 0.000 -4.438) 5.629 23.157 ( -8.448 0.000 -0.383) 8.457 23.254 ( -10.583 0.000 -4.133) 11.362 23.427 ( 2.058 0.000 -5.552) 5.921 23.479 ( -1.492 0.000 0.914) 1.750 23.574 ( -1.994 0.000 2.034) 2.848 23.807 ( 7.942 0.000 3.326) 8.610 24.133 ( -10.328 0.000 9.312) 13.906 24.187 ( -2.910 0.000 -9.565) 9.998 24.778 ( -14.046 0.000 -14.970) 20.528 24.921 ( -20.633 0.000 11.335) 23.542 25.878 ( 3.101 0.000 -0.264) 3.113 25.894 ( 2.837 0.000 0.235) 2.846 26.052 ( 6.547 0.000 -3.877) 7.609 26.082 ( 1.193 0.000 4.671) 4.821 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 13.054 0.000 7.249) 14.931 1.527 ( 3.724 0.000 5.331) 6.503 1.867 ( 12.026 0.000 -6.081) 13.476 2.008 ( -9.386 0.000 1.527) 9.509 2.137 ( 15.045 0.000 -7.481) 16.803 2.142 ( 10.322 0.000 -6.038) 11.958 2.302 ( -14.480 0.000 6.554) 15.894 2.306 ( -6.562 0.000 6.875) 9.504 2.378 ( 0.267 0.000 10.034) 10.037 2.557 ( 3.775 0.000 -4.874) 6.165 2.645 ( 1.313 0.000 2.124) 2.498 2.674 ( 3.448 0.000 2.376) 4.188 2.678 ( 6.282 0.000 -1.807) 6.537 2.806 ( -2.845 0.000 4.144) 5.026 2.857 ( 3.535 0.000 3.682) 5.105 2.880 ( 4.240 0.000 -3.941) 5.788 2.926 ( 3.662 0.000 2.484) 4.425 2.992 ( 1.741 0.000 -0.330) 1.772 2.994 ( 4.299 0.000 1.491) 4.551 3.134 ( -4.420 0.000 -2.491) 5.074 3.213 ( -2.504 0.000 0.717) 2.605 3.234 ( -3.040 0.000 6.600) 7.267 3.334 ( -2.516 0.000 -4.587) 5.231 3.376 ( 2.544 0.000 1.545) 2.977 3.410 ( 0.603 0.000 -2.337) 2.413 3.436 ( -2.592 0.000 1.583) 3.037 3.446 ( 0.035 0.000 -7.772) 7.772 3.554 ( 4.522 0.000 -5.927) 7.456 3.645 ( -2.842 0.000 4.556) 5.369 3.665 ( 4.490 0.000 -7.615) 8.840 3.774 ( 0.846 0.000 5.735) 5.798 3.891 ( 6.134 0.000 4.890) 7.845 3.902 ( 15.300 0.000 -6.006) 16.437 3.932 ( 8.054 0.000 2.937) 8.573 4.102 ( -4.013 0.000 -0.536) 4.048 4.148 ( 6.389 0.000 -6.558) 9.155 4.170 ( -2.401 0.000 -4.869) 5.429 4.311 ( -0.613 0.000 -0.220) 0.652 4.343 ( -29.242 0.000 -0.620) 29.248 4.456 ( 3.882 0.000 -3.916) 5.515 4.606 ( 0.076 0.000 11.489) 11.490 4.618 ( 1.092 0.000 1.733) 2.048 4.720 ( -0.282 0.000 6.470) 6.476 4.802 ( -1.966 0.000 3.144) 3.708 4.908 ( -0.070 0.000 -2.871) 2.872 4.919 ( 4.751 0.000 -8.877) 10.069 5.076 ( 1.467 0.000 -0.385) 1.517 5.116 ( -0.365 0.000 6.257) 6.268 5.152 ( 2.243 0.000 0.914) 2.422 5.287 ( -1.224 0.000 2.868) 3.118 5.320 ( -8.295 0.000 -1.856) 8.500 5.450 ( -8.492 0.000 -8.464) 11.990 5.498 ( 5.214 0.000 3.508) 6.284 5.600 ( 4.582 0.000 1.519) 4.828 5.601 ( 5.994 0.000 0.761) 6.042 5.692 ( -3.767 0.000 -0.955) 3.886 5.759 ( -5.320 0.000 1.287) 5.473 5.831 ( -0.573 0.000 -5.130) 5.162 6.053 ( -5.187 0.000 2.204) 5.636 6.113 ( 0.202 0.000 2.243) 2.252 6.115 ( -2.799 0.000 2.956) 4.071 6.140 ( -0.614 0.000 -3.020) 3.081 6.351 ( -6.290 0.000 -2.011) 6.604 6.454 ( -8.042 0.000 -1.733) 8.227 6.570 ( -1.829 0.000 4.606) 4.956 6.684 ( -0.310 0.000 -3.417) 3.431 7.138 ( 4.907 0.000 -0.654) 4.951 7.270 ( -1.176 0.000 -6.096) 6.208 7.350 ( 8.941 0.000 1.297) 9.034 7.385 ( 4.384 0.000 -0.211) 4.389 7.485 ( -1.782 0.000 -0.196) 1.793 7.545 ( -6.052 0.000 3.557) 7.020 7.863 ( 6.149 0.000 -1.471) 6.322 7.922 ( -2.854 0.000 0.727) 2.945 7.970 ( 9.512 0.000 5.901) 11.194 8.077 ( 0.144 0.000 0.187) 0.236 8.129 ( -6.373 0.000 -1.528) 6.554 8.175 ( -1.240 0.000 -0.332) 1.283 8.199 ( 9.937 0.000 5.394) 11.307 8.339 ( -0.853 0.000 2.758) 2.887 8.432 ( -8.441 0.000 11.843) 14.544 8.562 ( -4.287 0.000 2.560) 4.993 8.596 ( -0.184 0.000 -5.697) 5.700 8.650 ( 1.844 0.000 -8.603) 8.798 8.836 ( -3.016 0.000 10.624) 11.044 8.965 ( 0.942 0.000 -6.099) 6.172 9.072 ( 2.377 0.000 -5.492) 5.984 9.090 ( -3.898 0.000 -0.643) 3.951 9.353 ( -1.758 0.000 -0.215) 1.771 9.371 ( -0.355 0.000 2.260) 2.287 9.403 ( -0.095 0.000 -0.800) 0.806 9.487 ( -3.946 0.000 -8.430) 9.308 9.738 ( 0.460 0.000 3.682) 3.710 9.751 ( 6.658 0.000 -3.045) 7.321 9.796 ( -0.232 0.000 10.688) 10.691 9.852 ( 5.409 0.000 5.335) 7.597 9.892 ( -1.647 0.000 8.928) 9.078 10.085 ( 1.250 0.000 -0.664) 1.416 10.145 ( -2.087 0.000 -4.877) 5.305 10.216 ( 0.682 0.000 -7.072) 7.105 10.245 ( 4.310 0.000 -0.815) 4.387 10.381 ( -5.713 0.000 5.634) 8.024 10.540 ( -3.742 0.000 3.261) 4.964 10.556 ( 4.651 0.000 1.823) 4.996 10.647 ( 16.548 0.000 -10.840) 19.782 10.686 ( -9.531 0.000 5.294) 10.903 10.894 ( -4.689 0.000 -0.145) 4.691 10.968 ( -2.441 0.000 -10.067) 10.359 11.032 ( 7.415 0.000 1.007) 7.483 11.149 ( -2.431 0.000 -1.650) 2.938 11.151 ( -6.270 0.000 6.671) 9.156 11.252 ( -4.055 0.000 -0.189) 4.059 11.356 ( -2.066 0.000 -3.063) 3.695 11.471 ( -4.910 0.000 -9.114) 10.353 11.773 ( 1.571 0.000 7.118) 7.289 11.927 ( -7.681 0.000 15.165) 16.999 11.983 ( 1.363 0.000 -4.231) 4.445 12.085 ( 5.111 0.000 -12.835) 13.815 12.274 ( -1.650 0.000 4.329) 4.632 12.353 ( 4.390 0.000 9.568) 10.528 12.451 ( 9.809 0.000 -4.317) 10.717 12.594 ( 4.869 0.000 -5.186) 7.113 12.602 ( 1.839 0.000 -1.010) 2.098 12.614 ( 0.684 0.000 1.806) 1.931 12.622 ( 4.835 0.000 -0.495) 4.860 12.693 ( 0.096 0.000 -1.673) 1.676 12.855 ( 10.381 0.000 -2.023) 10.576 12.931 ( -1.449 0.000 5.633) 5.816 13.019 ( 8.252 0.000 4.342) 9.325 13.030 ( 2.144 0.000 5.614) 6.010 13.335 ( -5.223 0.000 -11.347) 12.491 13.380 ( -2.509 0.000 -8.328) 8.697 13.665 ( 2.660 0.000 -9.501) 9.867 13.695 ( -6.131 0.000 -8.765) 10.696 13.833 ( -0.234 0.000 4.697) 4.703 13.881 ( 1.812 0.000 -2.935) 3.450 14.166 ( 8.691 0.000 6.929) 11.115 14.314 ( 3.936 0.000 0.227) 3.943 14.541 ( -2.672 0.000 5.323) 5.956 14.740 ( -3.410 0.000 -6.864) 7.665 14.754 ( -1.846 0.000 6.013) 6.290 14.838 ( 4.420 0.000 -4.705) 6.455 14.992 ( 4.058 0.000 1.814) 4.444 15.077 ( -5.387 0.000 3.544) 6.448 15.557 ( -4.424 0.000 10.981) 11.839 15.670 ( 0.641 0.000 -0.785) 1.014 15.822 ( -1.518 0.000 2.948) 3.315 15.976 ( -2.298 0.000 -6.537) 6.929 16.373 ( -7.002 0.000 4.327) 8.231 16.439 ( 0.154 0.000 -6.369) 6.371 16.621 ( 0.393 0.000 0.213) 0.447 16.665 ( -3.165 0.000 1.049) 3.335 20.391 ( 0.720 0.000 0.802) 1.078 20.438 ( -0.197 0.000 -1.965) 1.975 20.885 ( 0.626 0.000 8.255) 8.279 20.982 ( 3.189 0.000 -1.111) 3.377 21.250 ( 3.803 0.000 2.835) 4.744 21.331 ( 0.813 0.000 -0.709) 1.079 21.746 ( 5.039 0.000 3.165) 5.951 21.749 ( 7.023 0.000 1.605) 7.204 21.909 ( 1.892 0.000 -2.164) 2.874 21.916 ( 0.494 0.000 0.632) 0.802 21.975 ( -4.098 0.000 -2.325) 4.711 22.053 ( -3.688 0.000 0.752) 3.764 22.676 ( 1.547 0.000 -5.320) 5.540 22.685 ( 5.262 0.000 -2.180) 5.696 23.002 ( -8.170 0.000 2.307) 8.489 23.037 ( -7.034 0.000 -3.679) 7.938 23.440 ( 2.724 0.000 -4.975) 5.672 23.444 ( -2.127 0.000 -0.873) 2.299 23.609 ( 3.800 0.000 6.734) 7.733 23.895 ( -1.623 0.000 -0.816) 1.817 24.014 ( -8.111 0.000 7.387) 10.971 24.101 ( 0.683 0.000 -10.684) 10.706 24.589 ( 5.147 0.000 -9.368) 10.688 24.629 ( -18.186 0.000 10.192) 20.847 25.925 ( 1.898 0.000 -0.344) 1.929 25.931 ( 0.843 0.000 0.109) 0.850 26.100 ( -2.041 0.000 3.841) 4.349 26.128 ( 4.271 0.000 -3.367) 5.439 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -12.762 0.000 -0.331) 12.766 1.566 ( -1.332 0.000 4.336) 4.536 1.789 ( -13.884 0.000 -0.343) 13.888 1.986 ( -10.572 0.000 5.627) 11.976 2.028 ( -13.852 0.000 6.158) 15.159 2.099 ( 8.441 0.000 -2.613) 8.837 2.390 ( 13.119 0.000 -2.835) 13.422 2.412 ( 10.828 0.000 -5.208) 12.015 2.479 ( -1.723 0.000 2.366) 2.927 2.547 ( 0.653 0.000 -6.481) 6.514 2.627 ( -1.305 0.000 3.328) 3.575 2.685 ( -7.799 0.000 -0.873) 7.847 2.766 ( 3.640 0.000 -5.580) 6.662 2.802 ( 6.923 0.000 2.761) 7.453 2.836 ( -6.284 0.000 0.151) 6.285 2.927 ( -3.308 0.000 -2.684) 4.260 2.977 ( -3.726 0.000 -3.030) 4.802 3.008 ( -7.254 0.000 -3.150) 7.909 3.019 ( -0.156 0.000 -0.581) 0.601 3.037 ( 1.676 0.000 6.132) 6.357 3.126 ( -6.886 0.000 10.717) 12.738 3.274 ( 1.081 0.000 -3.554) 3.715 3.318 ( 3.240 0.000 7.536) 8.203 3.375 ( -5.084 0.000 -0.594) 5.118 3.391 ( -1.248 0.000 1.706) 2.114 3.421 ( 5.795 0.000 -4.772) 7.507 3.474 ( -4.881 0.000 1.125) 5.009 3.494 ( -1.544 0.000 -9.331) 9.458 3.530 ( -6.044 0.000 6.270) 8.709 3.692 ( -0.058 0.000 -0.678) 0.681 3.752 ( -15.682 0.000 6.904) 17.135 3.924 ( 3.255 0.000 3.255) 4.603 3.944 ( -5.481 0.000 -7.894) 9.610 3.997 ( -2.664 0.000 -2.423) 3.601 4.036 ( 0.037 0.000 3.238) 3.239 4.081 ( 5.590 0.000 -2.921) 6.307 4.156 ( 6.653 0.000 -2.958) 7.281 4.338 ( 4.674 0.000 -2.166) 5.151 4.357 ( -1.498 0.000 4.664) 4.899 4.430 ( 5.436 0.000 -6.311) 8.330 4.620 ( -5.654 0.000 0.783) 5.708 4.682 ( 2.983 0.000 5.932) 6.640 4.762 ( -0.313 0.000 0.421) 0.525 4.767 ( 4.033 0.000 8.913) 9.783 4.793 ( -8.940 0.000 1.721) 9.104 4.933 ( 0.511 0.000 -5.145) 5.170 5.114 ( -2.557 0.000 -2.529) 3.596 5.191 ( 4.934 0.000 -1.177) 5.073 5.265 ( 1.259 0.000 0.086) 1.262 5.265 ( 3.405 0.000 3.772) 5.081 5.296 ( 2.084 0.000 -9.484) 9.710 5.340 ( 11.700 0.000 0.512) 11.711 5.608 ( -1.405 0.000 -5.180) 5.367 5.623 ( -4.263 0.000 -2.182) 4.789 5.635 ( 2.584 0.000 -1.246) 2.869 5.652 ( 1.051 0.000 2.017) 2.274 5.748 ( 3.404 0.000 3.721) 5.044 5.791 ( 2.062 0.000 -1.379) 2.481 6.067 ( 3.320 0.000 4.148) 5.313 6.070 ( -3.070 0.000 -1.414) 3.380 6.133 ( 2.542 0.000 0.859) 2.684 6.165 ( 3.715 0.000 -1.503) 4.008 6.353 ( 0.740 0.000 -2.111) 2.237 6.414 ( 10.631 0.000 1.954) 10.810 6.603 ( 1.651 0.000 4.956) 5.224 6.656 ( 0.584 0.000 -4.094) 4.135 7.163 ( -4.964 0.000 -3.454) 6.047 7.202 ( 1.298 0.000 0.958) 1.613 7.366 ( -5.317 0.000 1.066) 5.423 7.374 ( -7.122 0.000 -0.168) 7.124 7.486 ( 0.831 0.000 -0.614) 1.033 7.590 ( 8.272 0.000 -0.802) 8.311 7.830 ( -6.023 0.000 1.323) 6.166 7.940 ( 1.279 0.000 0.020) 1.279 7.985 ( -7.340 0.000 0.233) 7.344 8.105 ( 5.073 0.000 1.543) 5.302 8.116 ( -4.262 0.000 -1.997) 4.706 8.152 ( 3.227 0.000 2.121) 3.861 8.290 ( -6.387 0.000 -0.616) 6.417 8.336 ( -5.068 0.000 5.879) 7.762 8.408 ( 5.123 0.000 10.233) 11.444 8.501 ( -3.582 0.000 2.700) 4.486 8.591 ( 0.989 0.000 -0.485) 1.101 8.653 ( 4.612 0.000 -8.681) 9.830 8.866 ( -0.237 0.000 6.021) 6.026 8.976 ( 2.388 0.000 -3.279) 4.056 9.023 ( -1.730 0.000 -2.233) 2.825 9.126 ( 6.565 0.000 -2.046) 6.877 9.337 ( 0.216 0.000 1.677) 1.691 9.343 ( -1.772 0.000 -2.372) 2.961 9.424 ( 1.429 0.000 -1.300) 1.932 9.436 ( 4.068 0.000 -1.117) 4.218 9.741 ( -2.651 0.000 -0.297) 2.667 9.798 ( -0.355 0.000 -2.309) 2.336 9.832 ( -2.574 0.000 5.840) 6.382 9.885 ( -4.083 0.000 11.703) 12.395 9.962 ( 3.456 0.000 -0.669) 3.520 10.091 ( -1.194 0.000 -2.511) 2.781 10.122 ( 2.477 0.000 3.657) 4.417 10.129 ( -0.662 0.000 -12.083) 12.101 10.267 ( -6.768 0.000 -0.600) 6.794 10.398 ( 6.266 0.000 3.564) 7.209 10.446 ( -12.139 0.000 7.434) 14.235 10.508 ( -4.730 0.000 4.345) 6.423 10.666 ( 3.493 0.000 -7.908) 8.645 10.834 ( -0.768 0.000 3.681) 3.760 10.866 ( 10.681 0.000 -8.563) 13.690 10.912 ( 2.330 0.000 -4.044) 4.667 11.070 ( -2.037 0.000 -4.070) 4.551 11.096 ( -0.218 0.000 4.396) 4.401 11.215 ( 6.672 0.000 3.606) 7.584 11.287 ( 6.467 0.000 0.624) 6.497 11.327 ( -2.636 0.000 -7.631) 8.073 11.384 ( 4.824 0.000 0.128) 4.825 11.817 ( -11.676 0.000 12.116) 16.826 11.873 ( 2.619 0.000 8.787) 9.169 11.917 ( -2.225 0.000 -7.066) 7.408 12.174 ( 9.959 0.000 -8.766) 13.267 12.279 ( -2.364 0.000 7.198) 7.576 12.431 ( -3.158 0.000 9.997) 10.484 12.466 ( -1.667 0.000 -15.324) 15.415 12.483 ( -11.083 0.000 -0.066) 11.083 12.614 ( -4.425 0.000 -2.018) 4.864 12.623 ( -2.792 0.000 1.328) 3.092 12.689 ( 1.251 0.000 -5.374) 5.517 12.689 ( 6.467 0.000 -0.665) 6.501 12.819 ( -11.780 0.000 0.280) 11.783 13.012 ( 5.094 0.000 -1.214) 5.237 13.050 ( -4.494 0.000 2.997) 5.402 13.160 ( -1.124 0.000 -10.185) 10.247 13.214 ( 2.822 0.000 9.236) 9.658 13.305 ( 1.928 0.000 -6.904) 7.168 13.567 ( -4.436 0.000 -0.509) 4.465 13.654 ( 2.453 0.000 -5.773) 6.273 13.836 ( -0.393 0.000 2.398) 2.430 13.919 ( 3.803 0.000 -4.362) 5.787 14.249 ( -9.326 0.000 -2.508) 9.657 14.283 ( -2.315 0.000 3.744) 4.402 14.579 ( 2.067 0.000 8.812) 9.051 14.677 ( 4.603 0.000 -8.845) 9.971 14.738 ( -2.282 0.000 4.922) 5.425 14.865 ( -0.032 0.000 -3.893) 3.893 14.993 ( -4.487 0.000 1.509) 4.733 15.111 ( 5.879 0.000 -0.104) 5.880 15.580 ( -0.970 0.000 10.747) 10.791 15.686 ( 1.879 0.000 -2.641) 3.241 15.847 ( 1.990 0.000 5.080) 5.456 15.925 ( 1.771 0.000 -6.964) 7.186 16.324 ( -1.018 0.000 5.136) 5.236 16.465 ( 6.477 0.000 -5.128) 8.262 16.633 ( -0.393 0.000 -0.623) 0.736 16.669 ( 4.072 0.000 0.457) 4.098 20.408 ( 0.416 0.000 1.224) 1.293 20.417 ( -0.670 0.000 -1.983) 2.093 20.922 ( -1.613 0.000 5.210) 5.454 21.009 ( 1.868 0.000 -3.436) 3.911 21.298 ( -2.547 0.000 -2.203) 3.367 21.329 ( 2.082 0.000 -0.013) 2.083 21.766 ( -5.411 0.000 0.129) 5.413 21.804 ( -7.748 0.000 -1.361) 7.867 21.856 ( 3.096 0.000 1.353) 3.379 21.938 ( 2.205 0.000 0.832) 2.357 21.978 ( -2.029 0.000 -5.203) 5.585 22.029 ( 4.692 0.000 2.125) 5.151 22.645 ( -3.715 0.000 1.198) 3.903 22.649 ( -5.603 0.000 -1.442) 5.785 22.947 ( 1.630 0.000 4.834) 5.102 23.055 ( 8.866 0.000 -2.810) 9.300 23.401 ( -1.700 0.000 -0.502) 1.772 23.465 ( 3.111 0.000 -3.565) 4.731 23.742 ( -7.828 0.000 -6.265) 10.026 23.789 ( 7.417 0.000 11.556) 13.731 23.931 ( -5.304 0.000 4.999) 7.289 24.140 ( 8.067 0.000 -6.207) 10.178 24.407 ( -11.365 0.000 10.109) 15.210 24.774 ( 16.748 0.000 -5.537) 17.639 25.923 ( -1.636 0.000 -0.066) 1.637 25.937 ( -0.495 0.000 -0.517) 0.716 26.064 ( -4.242 0.000 3.321) 5.387 26.169 ( 2.573 0.000 -3.324) 4.203 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -23.491 0.000 0.784) 23.504 1.372 ( -21.203 0.000 13.706) 25.248 1.581 ( -4.661 0.000 -9.968) 11.004 1.883 ( -4.651 0.000 8.773) 9.930 1.959 ( 1.174 0.000 0.530) 1.288 2.211 ( -2.330 0.000 -5.190) 5.689 2.314 ( -12.393 0.000 5.276) 13.470 2.351 ( -11.104 0.000 -10.777) 15.474 2.386 ( -17.645 0.000 1.352) 17.697 2.505 ( -4.813 0.000 -1.658) 5.091 2.518 ( -0.104 0.000 -3.829) 3.831 2.665 ( -5.469 0.000 -4.408) 7.024 2.698 ( 1.528 0.000 1.032) 1.844 2.750 ( 0.637 0.000 -3.150) 3.214 2.801 ( -12.222 0.000 10.418) 16.060 2.831 ( -6.825 0.000 -2.303) 7.203 2.935 ( -5.813 0.000 0.669) 5.851 2.958 ( 3.153 0.000 -3.357) 4.606 2.962 ( 6.953 0.000 3.097) 7.612 3.076 ( -2.107 0.000 -0.333) 2.133 3.092 ( 4.501 0.000 6.550) 7.947 3.250 ( -2.233 0.000 -2.372) 3.258 3.329 ( 2.329 0.000 -0.253) 2.342 3.344 ( -5.611 0.000 -0.419) 5.626 3.390 ( -4.519 0.000 1.488) 4.757 3.414 ( 3.013 0.000 -7.887) 8.443 3.456 ( 2.919 0.000 5.436) 6.170 3.506 ( -1.214 0.000 3.397) 3.608 3.590 ( 2.541 0.000 1.676) 3.044 3.620 ( -2.965 0.000 7.487) 8.053 3.653 ( 1.937 0.000 0.193) 1.946 3.808 ( -7.529 0.000 -6.512) 9.955 3.899 ( -5.824 0.000 -11.154) 12.583 3.905 ( 3.852 0.000 -2.051) 4.364 4.056 ( -2.084 0.000 1.653) 2.660 4.060 ( -13.930 0.000 -4.295) 14.577 4.235 ( 2.775 0.000 8.012) 8.478 4.259 ( 3.151 0.000 -3.367) 4.611 4.330 ( 0.371 0.000 1.215) 1.271 4.554 ( -2.523 0.000 3.473) 4.292 4.653 ( 1.461 0.000 -0.166) 1.470 4.710 ( 1.725 0.000 5.175) 5.455 4.801 ( 3.127 0.000 6.191) 6.936 4.820 ( 6.467 0.000 -2.443) 6.913 4.863 ( 4.075 0.000 -3.400) 5.307 4.892 ( -2.217 0.000 -4.610) 5.116 5.065 ( 2.137 0.000 0.859) 2.303 5.151 ( -1.848 0.000 0.206) 1.860 5.226 ( -1.542 0.000 -4.577) 4.829 5.368 ( 3.913 0.000 -3.760) 5.426 5.398 ( -7.075 0.000 -0.266) 7.079 5.500 ( -0.090 0.000 2.195) 2.197 5.517 ( 4.643 0.000 4.356) 6.367 5.551 ( -1.041 0.000 -1.741) 2.028 5.581 ( 3.904 0.000 -11.907) 12.531 5.831 ( 7.193 0.000 0.525) 7.212 5.834 ( 11.841 0.000 -4.727) 12.749 5.877 ( 6.218 0.000 3.397) 7.086 6.108 ( 5.192 0.000 4.935) 7.163 6.165 ( 4.767 0.000 1.036) 4.878 6.216 ( 7.506 0.000 -1.766) 7.711 6.239 ( 4.965 0.000 -0.956) 5.057 6.496 ( 12.258 0.000 5.172) 13.304 6.597 ( 5.062 0.000 1.242) 5.212 6.679 ( 4.491 0.000 -2.825) 5.306 6.724 ( 10.573 0.000 0.302) 10.577 7.055 ( -5.238 0.000 -2.438) 5.777 7.174 ( -4.163 0.000 0.952) 4.270 7.237 ( -6.644 0.000 -2.903) 7.250 7.268 ( -5.024 0.000 2.245) 5.503 7.483 ( -2.457 0.000 2.188) 3.290 7.649 ( -2.008 0.000 -1.244) 2.362 7.752 ( -2.432 0.000 0.536) 2.491 7.847 ( -7.055 0.000 -0.167) 7.057 7.895 ( -5.963 0.000 1.508) 6.150 8.078 ( 0.891 0.000 2.349) 2.512 8.113 ( -7.971 0.000 -8.407) 11.585 8.134 ( -2.712 0.000 -1.090) 2.923 8.222 ( 3.521 0.000 4.436) 5.664 8.347 ( 1.513 0.000 2.619) 3.025 8.475 ( -2.135 0.000 6.239) 6.594 8.539 ( 3.411 0.000 5.074) 6.114 8.588 ( -2.726 0.000 3.615) 4.528 8.685 ( 3.045 0.000 -4.090) 5.099 8.916 ( 2.819 0.000 3.266) 4.314 9.003 ( 3.634 0.000 -5.202) 6.346 9.013 ( 2.888 0.000 -0.718) 2.976 9.217 ( 3.566 0.000 -2.648) 4.442 9.357 ( 0.985 0.000 2.222) 2.430 9.380 ( 0.581 0.000 7.093) 7.116 9.484 ( -0.617 0.000 -6.081) 6.113 9.494 ( 8.648 0.000 -1.674) 8.809 9.641 ( -3.446 0.000 -2.626) 4.332 9.696 ( -9.492 0.000 0.827) 9.528 9.807 ( 0.816 0.000 -4.797) 4.866 9.886 ( -0.864 0.000 -0.361) 0.937 10.012 ( -4.162 0.000 -9.278) 10.168 10.022 ( 1.983 0.000 8.915) 9.133 10.080 ( -1.174 0.000 4.794) 4.935 10.146 ( -5.730 0.000 -0.009) 5.730 10.221 ( -10.782 0.000 3.618) 11.373 10.224 ( 3.929 0.000 6.214) 7.352 10.417 ( -5.500 0.000 1.199) 5.629 10.599 ( 8.315 0.000 -5.914) 10.204 10.681 ( 6.113 0.000 -3.668) 7.129 10.821 ( -7.539 0.000 -3.908) 8.492 10.917 ( 4.695 0.000 8.178) 9.430 10.971 ( 5.585 0.000 -2.203) 6.004 11.116 ( 6.893 0.000 -6.968) 9.802 11.175 ( 4.148 0.000 4.834) 6.369 11.323 ( 2.669 0.000 0.294) 2.685 11.354 ( 9.667 0.000 -3.991) 10.459 11.435 ( 8.352 0.000 -0.777) 8.388 11.471 ( 3.497 0.000 0.770) 3.581 11.689 ( -9.611 0.000 13.982) 16.967 11.833 ( -2.058 0.000 -7.448) 7.727 11.974 ( 0.559 0.000 8.535) 8.553 12.200 ( -7.012 0.000 -13.989) 15.648 12.232 ( -12.957 0.000 -2.315) 13.162 12.280 ( -3.472 0.000 5.305) 6.340 12.314 ( 0.538 0.000 -3.075) 3.122 12.406 ( -14.508 0.000 1.088) 14.548 12.411 ( -3.035 0.000 -0.249) 3.045 12.574 ( -2.077 0.000 -1.710) 2.690 12.595 ( -10.104 0.000 -1.942) 10.289 12.668 ( -0.788 0.000 -2.214) 2.350 12.742 ( -0.411 0.000 -2.634) 2.665 12.890 ( -10.426 0.000 -2.166) 10.649 12.936 ( -8.248 0.000 -8.087) 11.551 13.065 ( -3.150 0.000 -4.127) 5.192 13.372 ( 6.627 0.000 6.555) 9.321 13.385 ( 3.503 0.000 2.545) 4.330 13.496 ( -1.843 0.000 2.034) 2.745 13.701 ( 3.294 0.000 1.890) 3.798 13.870 ( 2.243 0.000 1.565) 2.735 13.904 ( -1.793 0.000 -7.866) 8.067 14.062 ( -7.921 0.000 -4.200) 8.965 14.210 ( -5.255 0.000 0.212) 5.259 14.485 ( -13.276 0.000 7.849) 15.422 14.615 ( -6.876 0.000 -10.685) 12.707 14.862 ( 3.031 0.000 -2.286) 3.797 14.886 ( 6.374 0.000 2.416) 6.816 14.966 ( 3.097 0.000 3.745) 4.860 15.193 ( 3.927 0.000 -0.742) 3.996 15.638 ( 1.158 0.000 4.462) 4.609 15.696 ( 1.569 0.000 -4.003) 4.300 15.943 ( 4.145 0.000 -5.394) 6.803 15.967 ( 5.601 0.000 7.987) 9.755 16.401 ( 4.588 0.000 6.310) 7.801 16.588 ( 9.223 0.000 -4.501) 10.263 16.647 ( 2.600 0.000 -0.428) 2.635 16.760 ( 5.407 0.000 -0.664) 5.448 20.394 ( -0.345 0.000 -1.594) 1.631 20.419 ( -0.192 0.000 1.290) 1.304 20.875 ( -5.780 0.000 1.202) 5.903 20.991 ( -0.628 0.000 -10.805) 10.823 21.259 ( 0.912 0.000 -2.382) 2.550 21.293 ( -4.304 0.000 -3.027) 5.262 21.606 ( -9.328 0.000 -0.834) 9.365 21.646 ( -7.789 0.000 -2.069) 8.059 21.847 ( -6.320 0.000 0.508) 6.340 21.877 ( -1.567 0.000 -0.233) 1.584 22.055 ( 5.451 0.000 1.834) 5.752 22.113 ( 3.380 0.000 0.993) 3.523 22.571 ( -3.067 0.000 3.719) 4.821 22.574 ( -3.439 0.000 0.315) 3.453 23.129 ( 10.712 0.000 10.442) 14.959 23.195 ( 7.077 0.000 -3.787) 8.026 23.378 ( -0.873 0.000 0.123) 0.882 23.506 ( 3.201 0.000 -2.448) 4.030 23.628 ( -0.277 0.000 -3.151) 3.164 23.852 ( -5.838 0.000 -0.922) 5.911 23.961 ( 2.193 0.000 14.400) 14.566 24.274 ( 9.941 0.000 -5.848) 11.533 24.453 ( 8.614 0.000 18.083) 20.030 25.070 ( 17.874 0.000 -5.036) 18.570 25.877 ( -2.966 0.000 -0.108) 2.968 25.902 ( -2.672 0.000 -0.663) 2.753 25.989 ( -5.871 0.000 2.866) 6.533 26.173 ( 0.241 0.000 -4.653) 4.659 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -3.651 0.000 17.650) 18.024 1.136 ( -14.549 0.000 22.813) 27.057 1.493 ( 4.044 0.000 -12.848) 13.469 1.677 ( -32.183 0.000 8.044) 33.173 1.841 ( -12.629 0.000 -10.085) 16.161 1.892 ( -7.935 0.000 9.013) 12.009 2.127 ( -4.368 0.000 -13.050) 13.762 2.263 ( 2.303 0.000 10.470) 10.720 2.338 ( 1.458 0.000 0.175) 1.469 2.407 ( -7.142 0.000 -6.743) 9.822 2.457 ( 0.379 0.000 -0.265) 0.463 2.527 ( -3.492 0.000 -2.485) 4.286 2.641 ( -5.543 0.000 4.289) 7.009 2.751 ( -0.228 0.000 1.197) 1.218 2.754 ( 2.126 0.000 -0.861) 2.294 2.806 ( 0.039 0.000 3.811) 3.811 2.827 ( -5.787 0.000 2.006) 6.125 2.979 ( -2.990 0.000 -0.237) 3.000 2.982 ( -3.525 0.000 -5.011) 6.126 3.016 ( -3.668 0.000 -1.012) 3.806 3.146 ( -4.515 0.000 3.327) 5.609 3.209 ( -3.146 0.000 2.002) 3.729 3.297 ( 7.760 0.000 -2.269) 8.085 3.343 ( -0.764 0.000 1.432) 1.623 3.385 ( 3.962 0.000 -0.495) 3.993 3.448 ( -0.114 0.000 -2.442) 2.445 3.495 ( -1.036 0.000 -6.321) 6.405 3.499 ( -0.226 0.000 3.651) 3.658 3.548 ( 1.178 0.000 3.189) 3.399 3.606 ( -6.676 0.000 -7.300) 9.892 3.696 ( 5.317 0.000 2.261) 5.778 3.760 ( 0.791 0.000 -6.742) 6.789 3.817 ( 3.002 0.000 -5.281) 6.074 3.880 ( -0.339 0.000 4.215) 4.228 3.936 ( -7.663 0.000 1.627) 7.833 3.966 ( -1.316 0.000 -2.113) 2.489 4.240 ( 0.049 0.000 4.024) 4.024 4.269 ( -0.795 0.000 2.375) 2.504 4.385 ( -0.436 0.000 -6.840) 6.854 4.567 ( 3.862 0.000 2.617) 4.665 4.592 ( -8.771 0.000 -4.846) 10.021 4.719 ( 3.576 0.000 -0.275) 3.587 4.774 ( -5.287 0.000 -1.751) 5.570 4.802 ( -4.386 0.000 -0.590) 4.425 4.908 ( 0.874 0.000 -3.139) 3.259 4.970 ( 2.321 0.000 9.741) 10.014 5.088 ( -5.336 0.000 0.801) 5.396 5.105 ( -2.458 0.000 -0.648) 2.542 5.175 ( -1.187 0.000 -1.147) 1.651 5.255 ( -2.468 0.000 -2.846) 3.767 5.399 ( 2.812 0.000 -4.208) 5.062 5.426 ( -2.591 0.000 3.751) 4.559 5.545 ( 3.331 0.000 0.479) 3.365 5.677 ( 11.746 0.000 -2.031) 11.921 5.726 ( 6.294 0.000 6.448) 9.011 5.925 ( 2.867 0.000 -7.171) 7.723 6.033 ( 5.687 0.000 2.675) 6.284 6.050 ( 13.674 0.000 -2.906) 13.979 6.247 ( 5.661 0.000 2.659) 6.254 6.284 ( 7.029 0.000 2.430) 7.437 6.317 ( 3.023 0.000 1.864) 3.552 6.385 ( 10.546 0.000 -1.280) 10.624 6.675 ( 0.770 0.000 -5.464) 5.518 6.685 ( 5.167 0.000 1.090) 5.281 6.847 ( -4.469 0.000 -2.736) 5.240 6.866 ( 14.778 0.000 7.816) 16.718 6.968 ( 4.089 0.000 -2.588) 4.840 7.028 ( -12.355 0.000 -3.264) 12.779 7.137 ( 1.231 0.000 0.119) 1.237 7.256 ( 2.161 0.000 1.427) 2.590 7.424 ( -5.820 0.000 3.133) 6.610 7.524 ( -8.053 0.000 -0.637) 8.079 7.737 ( -3.572 0.000 -1.282) 3.795 7.774 ( -7.771 0.000 -0.993) 7.835 7.798 ( 6.547 0.000 1.776) 6.784 7.936 ( -3.770 0.000 -6.356) 7.390 8.047 ( -7.054 0.000 0.501) 7.072 8.170 ( 6.069 0.000 2.067) 6.411 8.248 ( -6.208 0.000 5.954) 8.602 8.340 ( -2.271 0.000 -1.577) 2.765 8.504 ( 0.228 0.000 8.011) 8.014 8.568 ( -0.413 0.000 4.790) 4.807 8.626 ( 3.212 0.000 -0.114) 3.214 8.719 ( 2.674 0.000 -1.694) 3.165 9.008 ( 3.822 0.000 5.088) 6.364 9.057 ( 5.037 0.000 -5.317) 7.324 9.133 ( 9.955 0.000 -1.703) 10.100 9.250 ( -0.267 0.000 -1.345) 1.371 9.322 ( -6.806 0.000 -3.926) 7.857 9.340 ( -0.633 0.000 2.260) 2.347 9.430 ( -1.093 0.000 9.907) 9.967 9.511 ( -9.951 0.000 -0.333) 9.957 9.614 ( -0.507 0.000 -3.842) 3.875 9.693 ( 8.742 0.000 -3.224) 9.317 9.806 ( 3.142 0.000 0.848) 3.254 9.823 ( -2.878 0.000 -8.718) 9.180 9.863 ( -2.687 0.000 -10.321) 10.665 10.035 ( -5.806 0.000 1.488) 5.994 10.100 ( -0.952 0.000 -6.658) 6.726 10.163 ( 3.038 0.000 12.371) 12.738 10.196 ( 8.275 0.000 10.988) 13.756 10.340 ( -2.784 0.000 2.742) 3.908 10.361 ( 5.157 0.000 7.492) 9.096 10.615 ( 1.856 0.000 -7.722) 7.942 10.653 ( -6.329 0.000 -5.394) 8.316 10.798 ( 3.727 0.000 -4.929) 6.179 11.059 ( 1.966 0.000 9.722) 9.919 11.084 ( 8.177 0.000 -2.055) 8.432 11.164 ( 2.969 0.000 -8.956) 9.435 11.209 ( -6.566 0.000 4.623) 8.030 11.380 ( 6.773 0.000 0.776) 6.818 11.524 ( 2.353 0.000 -0.167) 2.359 11.532 ( 7.058 0.000 -1.695) 7.258 11.560 ( 4.932 0.000 -1.848) 5.266 11.679 ( -0.508 0.000 12.524) 12.534 11.697 ( -7.621 0.000 -4.837) 9.026 11.888 ( -9.884 0.000 -4.876) 11.021 11.984 ( -4.179 0.000 -6.808) 7.989 12.047 ( -10.393 0.000 2.574) 10.707 12.165 ( -2.472 0.000 7.316) 7.722 12.198 ( -19.127 0.000 -7.515) 20.550 12.271 ( -2.220 0.000 -1.683) 2.786 12.304 ( -6.457 0.000 7.891) 10.196 12.463 ( -1.167 0.000 -0.895) 1.471 12.568 ( 2.239 0.000 -2.045) 3.033 12.629 ( -5.389 0.000 3.487) 6.419 12.648 ( -4.844 0.000 -5.836) 7.584 12.709 ( -4.927 0.000 -1.700) 5.212 12.755 ( -4.613 0.000 -6.603) 8.055 12.952 ( -6.316 0.000 -4.511) 7.762 13.324 ( -6.777 0.000 2.975) 7.401 13.516 ( 3.414 0.000 -3.823) 5.126 13.619 ( 8.184 0.000 2.433) 8.538 13.676 ( -5.517 0.000 -6.287) 8.364 13.809 ( -4.216 0.000 7.264) 8.399 13.914 ( 1.662 0.000 -1.047) 1.965 13.914 ( -0.480 0.000 -5.167) 5.189 14.102 ( -6.174 0.000 -1.760) 6.420 14.321 ( -7.868 0.000 7.182) 10.652 14.432 ( -5.376 0.000 -1.954) 5.720 14.881 ( -0.050 0.000 -1.258) 1.259 14.902 ( -0.255 0.000 -1.236) 1.262 15.138 ( 5.970 0.000 6.335) 8.704 15.261 ( 3.391 0.000 -0.374) 3.412 15.668 ( 0.402 0.000 0.590) 0.714 15.695 ( 1.145 0.000 -3.585) 3.763 16.001 ( 4.865 0.000 -2.979) 5.705 16.091 ( 2.383 0.000 1.891) 3.042 16.540 ( 4.763 0.000 6.641) 8.172 16.709 ( 6.273 0.000 -4.960) 7.997 16.729 ( 4.860 0.000 2.692) 5.555 16.845 ( 4.072 0.000 -1.614) 4.380 20.388 ( 0.680 0.000 -1.055) 1.255 20.416 ( -1.019 0.000 0.903) 1.362 20.756 ( -5.744 0.000 -1.644) 5.974 20.789 ( -10.418 0.000 -10.315) 14.660 21.241 ( 0.020 0.000 2.543) 2.543 21.292 ( 3.338 0.000 -1.960) 3.871 21.461 ( -6.481 0.000 1.327) 6.616 21.502 ( -5.718 0.000 -2.415) 6.207 21.747 ( -5.750 0.000 3.361) 6.660 21.812 ( -3.150 0.000 -2.862) 4.256 22.157 ( 3.250 0.000 3.191) 4.555 22.180 ( 3.033 0.000 1.180) 3.254 22.542 ( 0.092 0.000 -0.338) 0.350 22.559 ( -1.949 0.000 4.242) 4.668 23.282 ( 4.973 0.000 -0.381) 4.988 23.366 ( 7.388 0.000 3.029) 7.985 23.373 ( 0.056 0.000 1.224) 1.225 23.546 ( 2.775 0.000 -2.322) 3.618 23.649 ( 2.536 0.000 -2.759) 3.748 23.699 ( -7.928 0.000 -3.898) 8.835 24.142 ( 7.054 0.000 12.539) 14.387 24.406 ( 7.726 0.000 -6.245) 9.934 24.910 ( 24.681 0.000 19.109) 31.214 25.340 ( 12.966 0.000 -3.041) 13.318 25.826 ( -2.134 0.000 -0.023) 2.134 25.842 ( -2.742 0.000 -0.548) 2.796 25.892 ( -5.674 0.000 1.326) 5.827 26.086 ( -6.947 0.000 -6.494) 9.510 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 2.274 -1.384 19.883) 20.061 1.199 ( -2.517 11.027 21.110) 23.949 1.344 ( -5.279 -2.634 -13.505) 14.738 1.561 ( 3.295 3.132 -16.437) 17.054 1.836 ( 1.322 10.616 2.522) 10.992 1.958 ( -0.320 3.666 9.588) 10.270 1.998 ( -0.869 10.609 -10.127) 14.693 2.134 ( 0.471 -2.934 -6.992) 7.597 2.332 ( 2.987 -0.331 5.929) 6.647 2.381 ( -1.563 -4.204 -2.067) 4.939 2.405 ( -0.242 -1.659 6.313) 6.532 2.512 ( -0.484 -0.658 -3.144) 3.248 2.685 ( 0.947 0.412 7.149) 7.223 2.763 ( -2.562 1.052 4.974) 5.693 2.776 ( 0.920 3.407 -1.958) 4.036 2.791 ( 0.963 -0.730 0.887) 1.499 2.883 ( 0.567 3.968 -0.428) 4.031 2.887 ( 0.066 6.046 -3.187) 6.834 2.999 ( -1.346 5.953 3.410) 6.992 3.039 ( 1.542 2.414 -0.714) 2.952 3.122 ( -3.413 5.442 7.518) 9.888 3.208 ( 2.750 -3.264 3.577) 5.569 3.270 ( -3.326 -1.286 -1.652) 3.930 3.331 ( -0.704 -1.970 -2.948) 3.615 3.415 ( -0.414 -3.490 -1.427) 3.793 3.449 ( -1.082 -3.773 -1.284) 4.129 3.456 ( 2.716 -4.204 -1.573) 5.246 3.503 ( -2.596 -1.354 0.539) 2.977 3.536 ( 7.488 -0.330 -4.723) 8.859 3.576 ( 0.559 7.740 -12.826) 14.991 3.711 ( -1.811 -0.084 0.918) 2.033 3.749 ( -0.374 2.078 -3.238) 3.865 3.839 ( -2.570 4.473 0.329) 5.170 3.881 ( 2.034 2.337 -3.680) 4.811 3.986 ( 2.137 2.196 2.494) 3.951 4.012 ( -1.020 3.055 0.546) 3.267 4.242 ( 1.849 0.355 5.339) 5.661 4.284 ( -1.092 -0.776 3.376) 3.632 4.341 ( 0.199 0.211 4.427) 4.436 4.436 ( -1.447 -4.520 0.169) 4.749 4.578 ( 1.331 -5.469 -0.390) 5.642 4.661 ( -2.921 -4.030 -7.259) 8.801 4.718 ( -0.396 3.517 4.620) 5.820 4.765 ( -1.949 1.738 -1.623) 3.075 4.916 ( 3.356 -4.569 2.793) 6.320 4.976 ( -2.532 -2.587 -2.689) 4.509 4.989 ( 3.486 0.223 6.640) 7.503 5.056 ( -2.644 -3.162 2.378) 4.759 5.153 ( 0.085 -0.721 -3.507) 3.581 5.221 ( 1.662 -1.289 -8.473) 8.731 5.328 ( 0.840 -8.195 0.530) 8.255 5.347 ( -2.097 -6.336 -0.713) 6.712 5.663 ( 3.368 -1.751 1.963) 4.274 5.742 ( -0.365 -6.256 -5.100) 8.080 5.788 ( -1.452 1.931 6.759) 7.178 5.883 ( 0.388 -0.456 -2.621) 2.689 6.141 ( -1.291 3.031 4.499) 5.576 6.231 ( 4.006 3.329 -4.516) 6.894 6.335 ( 0.343 -2.639 2.111) 3.397 6.349 ( -0.908 -0.934 0.250) 1.326 6.433 ( 1.208 3.730 -1.026) 4.052 6.480 ( -2.677 4.035 -4.283) 6.465 6.650 ( 2.024 -2.273 4.610) 5.524 6.711 ( -6.055 3.845 -2.025) 7.453 6.799 ( 6.516 2.393 1.013) 7.015 6.852 ( -4.183 1.425 -3.699) 5.762 7.019 ( 1.914 -3.192 1.912) 4.185 7.074 ( 1.242 0.258 -2.967) 3.227 7.272 ( 0.260 1.787 2.825) 3.353 7.340 ( 2.284 5.972 -3.921) 7.500 7.365 ( -2.923 5.847 2.194) 6.895 7.431 ( -3.385 0.911 -3.212) 4.754 7.667 ( -2.404 2.460 3.470) 4.886 7.703 ( -0.662 1.025 -0.275) 1.251 7.844 ( -4.915 -4.624 3.933) 7.811 7.893 ( 0.891 -2.902 -1.734) 3.496 7.992 ( 3.846 -2.125 5.251) 6.847 8.072 ( 0.185 -2.171 -2.536) 3.343 8.191 ( 1.088 -8.026 6.119) 10.151 8.305 ( -0.440 -4.892 -6.126) 7.852 8.591 ( -1.370 5.869 5.199) 7.959 8.658 ( 1.851 6.566 2.069) 7.129 8.704 ( 1.726 5.241 -2.158) 5.925 8.768 ( -0.743 2.741 -5.839) 6.493 9.037 ( -3.179 -0.567 2.786) 4.265 9.078 ( 2.092 -2.471 0.223) 3.246 9.172 ( -2.037 -0.641 2.422) 3.229 9.234 ( 3.089 -2.771 -3.154) 5.212 9.330 ( 4.000 1.643 2.479) 4.985 9.386 ( -4.141 3.473 -1.844) 5.711 9.500 ( 7.618 4.267 3.245) 9.315 9.557 ( -8.048 5.437 -3.578) 10.351 9.612 ( 5.320 5.034 6.631) 9.880 9.699 ( -2.157 0.904 -4.194) 4.803 9.730 ( 0.347 1.413 -4.427) 4.660 9.778 ( -5.214 3.458 -8.250) 10.354 9.928 ( 4.101 -3.839 10.347) 11.773 9.990 ( 2.472 -0.103 2.120) 3.258 10.062 ( -14.355 -1.446 0.692) 14.444 10.104 ( 2.651 0.745 -4.665) 5.417 10.245 ( 3.669 -3.780 3.504) 6.327 10.374 ( -0.850 -6.374 -8.587) 10.727 10.524 ( 2.936 0.425 8.958) 9.436 10.665 ( -4.677 1.450 -4.302) 6.518 10.715 ( 2.092 7.265 3.215) 8.216 10.745 ( -5.661 4.436 1.294) 7.307 10.978 ( -3.557 -1.617 2.724) 4.763 11.017 ( -0.121 -5.210 0.900) 5.288 11.178 ( -1.749 -0.770 -0.675) 2.027 11.211 ( 9.249 -3.428 -5.497) 11.292 11.374 ( 0.370 -6.898 4.827) 8.427 11.431 ( 2.287 -9.424 -0.148) 9.699 11.497 ( 1.716 -3.780 -0.313) 4.163 11.545 ( 0.044 -1.904 -3.141) 3.673 11.676 ( 3.498 0.910 0.057) 3.614 11.725 ( -0.558 -1.619 -4.197) 4.533 11.897 ( 2.422 2.206 -0.147) 3.280 11.921 ( -4.219 4.457 -2.746) 6.723 11.941 ( 5.629 1.432 0.061) 5.808 11.969 ( -4.592 5.293 -2.103) 7.317 12.196 ( 1.719 -1.938 2.913) 3.898 12.225 ( -0.170 -2.407 -0.273) 2.428 12.263 ( 1.504 -4.635 5.914) 7.663 12.387 ( -3.710 -11.475 -3.887) 12.671 12.522 ( 3.292 1.018 7.107) 7.899 12.596 ( -0.401 1.259 2.325) 2.674 12.639 ( -3.892 0.931 -1.822) 4.397 12.673 ( -1.741 -2.947 -2.172) 4.054 12.728 ( 1.956 12.478 -4.697) 13.476 12.794 ( -0.252 3.098 -7.190) 7.833 13.329 ( -1.775 2.615 2.273) 3.893 13.434 ( 4.889 -0.482 -6.352) 8.030 13.615 ( -2.918 -8.080 4.388) 9.647 13.703 ( 4.902 -6.581 0.175) 8.208 13.749 ( 4.051 0.896 -2.176) 4.685 13.797 ( -1.454 -2.442 -4.182) 5.057 14.018 ( -1.997 2.022 1.109) 3.051 14.060 ( 1.615 2.589 -3.714) 4.807 14.343 ( -1.219 2.596 4.752) 5.550 14.375 ( -0.902 -0.394 0.913) 1.342 14.874 ( -0.258 2.599 4.303) 5.034 14.951 ( -0.648 6.095 -3.216) 6.922 15.259 ( 0.315 2.154 6.158) 6.532 15.321 ( -1.482 2.550 -0.831) 3.064 15.637 ( -1.952 -1.087 3.797) 4.405 15.729 ( 1.442 2.286 -5.523) 6.149 15.968 ( -2.973 -7.710 5.407) 9.875 16.041 ( 1.813 -3.756 -2.762) 5.003 16.643 ( -0.377 1.612 6.343) 6.556 16.750 ( 0.668 0.098 -3.403) 3.469 16.803 ( 0.573 0.023 1.612) 1.711 16.866 ( -0.342 -0.408 -3.440) 3.481 20.425 ( 0.937 1.980 -0.087) 2.192 20.437 ( 0.038 3.121 -1.592) 3.504 20.626 ( -0.520 -1.462 1.053) 1.876 20.654 ( -1.565 -1.862 -1.859) 3.061 21.305 ( -0.705 2.950 2.563) 3.971 21.347 ( 1.236 2.696 -1.813) 3.477 21.450 ( -0.458 4.030 2.762) 4.907 21.514 ( -0.830 3.884 -3.966) 5.613 21.756 ( -0.170 7.896 4.889) 9.289 21.863 ( -0.941 12.090 -6.772) 13.889 22.195 ( 0.679 -0.711 4.094) 4.210 22.254 ( 0.151 2.108 -1.808) 2.781 22.547 ( -2.108 1.018 1.342) 2.698 22.560 ( 2.302 -0.318 0.100) 2.326 23.261 ( 2.412 -12.902 3.826) 13.672 23.332 ( 0.177 -7.830 -3.013) 8.392 23.444 ( 0.902 0.392 1.245) 1.587 23.495 ( 0.079 -0.566 -4.166) 4.205 23.580 ( -0.568 -1.655 -0.991) 2.011 23.607 ( -1.812 -2.343 -3.543) 4.618 24.304 ( -0.695 1.153 7.651) 7.769 24.417 ( 1.269 -2.816 -4.039) 5.085 25.308 ( 3.023 -2.985 9.515) 10.421 25.451 ( -0.103 -0.946 -6.380) 6.451 25.812 ( 0.194 0.260 0.216) 0.389 25.818 ( -0.535 0.237 -0.386) 0.701 25.848 ( -0.672 -0.698 0.462) 1.073 25.855 ( -1.313 -0.792 -0.370) 1.578 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -1.003 3.014 7.720) 8.348 1.180 ( 3.100 7.572 -2.602) 8.585 1.549 ( 17.120 2.428 17.651) 24.709 1.673 ( 12.978 2.155 -15.630) 20.430 1.883 ( 1.123 -6.050 4.207) 7.454 1.959 ( 6.091 3.691 -9.321) 11.731 2.076 ( 6.093 7.652 4.852) 10.919 2.183 ( 8.854 2.020 -3.916) 9.890 2.331 ( -0.739 -4.327 -1.355) 4.594 2.417 ( -1.560 0.173 1.806) 2.393 2.471 ( 6.200 0.594 -0.996) 6.308 2.501 ( 2.824 0.242 0.451) 2.870 2.717 ( -1.258 0.350 1.777) 2.205 2.747 ( 0.018 4.775 -1.829) 5.113 2.776 ( -1.017 0.769 -2.561) 2.862 2.865 ( 4.795 1.471 1.137) 5.143 2.878 ( 5.921 -0.234 2.460) 6.416 2.913 ( -3.388 2.117 0.725) 4.060 3.013 ( 1.148 1.214 1.228) 2.073 3.082 ( -1.121 1.590 1.937) 2.745 3.180 ( 0.035 3.104 3.759) 4.876 3.230 ( 2.755 1.555 6.386) 7.127 3.306 ( 4.668 -0.227 6.794) 8.247 3.321 ( 3.919 1.287 -1.801) 4.501 3.351 ( -2.854 -1.343 -1.681) 3.575 3.406 ( -2.630 -1.285 -3.029) 4.213 3.473 ( 3.920 -2.535 -0.418) 4.687 3.488 ( 2.176 1.047 -8.920) 9.241 3.544 ( 1.883 -0.372 -3.650) 4.124 3.602 ( 0.316 0.859 -3.859) 3.966 3.689 ( 4.142 5.055 0.902) 6.597 3.773 ( -0.504 5.187 0.637) 5.250 3.849 ( -0.873 -5.504 -1.314) 5.726 3.867 ( -2.204 8.995 0.513) 9.276 3.956 ( 6.826 1.103 -1.304) 7.036 4.135 ( -0.972 7.899 -3.417) 8.661 4.167 ( 1.130 -3.075 4.919) 5.910 4.374 ( 2.775 -1.139 -2.848) 4.136 4.401 ( 0.898 -1.577 3.322) 3.786 4.467 ( 3.820 3.249 -1.694) 5.293 4.542 ( 1.568 -1.416 4.086) 4.600 4.700 ( -0.226 -2.451 3.508) 4.286 4.707 ( -0.875 -2.592 -1.586) 3.162 4.786 ( 6.395 0.077 0.559) 6.420 4.885 ( -5.068 -0.728 0.425) 5.138 5.001 ( -1.963 -7.761 -5.546) 9.739 5.009 ( 1.153 -7.478 3.223) 8.224 5.091 ( 2.426 1.232 5.737) 6.349 5.180 ( 6.751 -0.992 -2.376) 7.225 5.219 ( 1.619 -0.405 -4.040) 4.371 5.282 ( -2.224 -8.517 -0.732) 8.833 5.361 ( -1.101 -7.916 0.755) 8.028 5.580 ( -9.058 -3.750 -4.969) 10.991 5.636 ( -5.549 4.467 1.542) 7.288 5.776 ( -2.533 -2.094 4.435) 5.520 5.857 ( -2.759 -0.461 -4.727) 5.492 6.065 ( -8.496 2.682 0.640) 8.932 6.154 ( -7.173 4.992 -3.954) 9.593 6.265 ( -4.276 -1.203 1.039) 4.562 6.319 ( -5.104 2.496 3.256) 6.549 6.337 ( -8.334 0.901 -0.717) 8.413 6.451 ( -6.697 5.767 -2.324) 9.138 6.624 ( -0.242 2.888 3.066) 4.219 6.678 ( -4.987 -3.223 -0.383) 5.950 6.726 ( -2.367 -3.214 0.292) 4.002 6.921 ( 0.742 0.963 -2.667) 2.931 7.025 ( -5.045 6.387 1.912) 8.361 7.124 ( 2.719 -0.053 -1.806) 3.265 7.205 ( 1.644 5.316 -2.500) 6.100 7.266 ( -1.275 3.671 -0.652) 3.940 7.399 ( 3.990 -0.389 6.032) 7.243 7.478 ( 6.237 2.535 1.472) 6.891 7.713 ( 1.468 -1.897 0.107) 2.402 7.754 ( 2.893 4.214 4.610) 6.883 7.807 ( 0.549 -1.721 2.573) 3.143 7.890 ( 0.222 -4.624 -1.198) 4.782 8.004 ( -1.455 -3.128 0.760) 3.533 8.086 ( 0.802 -5.878 -1.343) 6.083 8.276 ( 3.258 0.166 3.457) 4.754 8.312 ( 2.408 -6.297 -0.946) 6.808 8.584 ( -2.838 2.455 3.126) 4.884 8.661 ( -0.520 2.293 -5.087) 5.604 8.692 ( -1.601 5.550 2.042) 6.127 8.745 ( 0.082 4.537 -2.106) 5.003 8.964 ( -5.960 -1.747 1.898) 6.494 9.040 ( -7.987 -4.140 -2.629) 9.373 9.118 ( 3.527 3.520 -0.729) 5.036 9.288 ( 1.284 2.126 -0.087) 2.485 9.340 ( 1.187 0.114 -0.037) 1.193 9.389 ( -4.915 -1.636 1.157) 5.307 9.455 ( -0.734 -0.206 -1.438) 1.627 9.539 ( -5.424 -2.319 -1.452) 6.075 9.597 ( -2.705 0.241 0.689) 2.801 9.692 ( 1.191 6.835 1.082) 7.021 9.748 ( 4.621 3.822 3.013) 6.711 9.774 ( 4.107 4.431 3.488) 6.976 9.842 ( -4.275 4.341 -2.090) 6.441 9.993 ( 0.607 2.252 6.682) 7.077 10.094 ( 4.235 0.237 -4.057) 5.870 10.195 ( 4.040 -1.718 5.161) 6.776 10.258 ( -2.538 -2.220 -6.400) 7.234 10.330 ( 0.838 -6.399 2.757) 7.018 10.474 ( -6.436 -0.022 -2.873) 7.048 10.571 ( -1.709 1.363 3.486) 4.115 10.686 ( -4.582 6.352 1.699) 8.015 10.727 ( 0.617 6.027 3.944) 7.229 10.956 ( -2.561 -1.873 3.869) 5.003 11.040 ( -2.419 -5.786 1.064) 6.361 11.243 ( 1.433 -2.826 -4.689) 5.659 11.294 ( 4.654 0.565 -1.816) 5.028 11.398 ( -5.338 -5.705 -5.241) 9.408 11.442 ( -0.192 -0.108 -0.535) 0.578 11.486 ( 2.620 -5.896 -3.781) 7.478 11.548 ( -1.261 -2.960 1.023) 3.376 11.691 ( 2.166 -2.156 -3.584) 4.710 11.706 ( 3.066 -0.873 -0.968) 3.332 11.834 ( -0.415 -1.139 0.114) 1.218 11.909 ( 2.696 0.963 -4.113) 5.011 12.070 ( 9.768 -1.932 4.713) 11.016 12.130 ( 13.123 2.067 0.267) 13.288 12.215 ( 2.653 -4.704 -4.334) 6.925 12.314 ( 3.778 -3.411 -1.500) 5.306 12.322 ( 6.306 -1.615 0.349) 6.518 12.433 ( 6.336 -5.452 5.143) 9.814 12.517 ( -3.449 1.727 -5.391) 6.629 12.616 ( 0.673 1.160 3.519) 3.766 12.665 ( 0.729 -2.164 -0.016) 2.284 12.702 ( 8.309 0.070 3.796) 9.135 12.740 ( 3.492 8.137 -4.043) 9.734 12.851 ( 6.841 4.641 0.178) 8.268 13.409 ( 9.226 0.040 1.383) 9.329 13.544 ( 3.514 -6.530 -8.142) 11.013 13.552 ( 1.168 -3.312 1.558) 3.842 13.704 ( -2.589 -4.020 -4.019) 6.246 13.770 ( 2.394 -3.018 -6.692) 7.721 13.808 ( 3.112 -0.654 -1.031) 3.343 13.946 ( -2.219 3.196 0.383) 3.910 14.175 ( 7.784 2.770 0.022) 8.262 14.394 ( 3.620 0.955 4.204) 5.629 14.437 ( 6.334 0.383 1.458) 6.511 14.843 ( -5.555 3.009 0.674) 6.353 14.916 ( -1.712 3.908 1.086) 4.402 15.244 ( -5.317 3.223 -0.869) 6.278 15.268 ( -3.547 3.274 4.456) 6.570 15.621 ( -2.905 -1.026 5.079) 5.940 15.708 ( -0.661 1.119 -3.687) 3.910 15.908 ( -5.425 -3.527 4.070) 7.644 16.052 ( 0.368 -4.905 -1.934) 5.285 16.620 ( -6.100 1.505 5.854) 8.587 16.680 ( -4.284 1.488 -6.082) 7.587 16.778 ( -4.679 -1.775 3.632) 6.183 16.784 ( -5.458 -0.712 -3.976) 6.790 20.402 ( -1.117 2.308 -0.625) 2.639 20.453 ( 1.040 1.573 -1.176) 2.222 20.653 ( 1.797 -2.863 1.508) 3.702 20.698 ( 5.702 -2.593 1.309) 6.400 21.302 ( -0.609 4.229 2.547) 4.974 21.343 ( 0.265 5.324 -2.850) 6.045 21.513 ( 4.571 3.836 3.439) 6.887 21.533 ( 4.768 2.599 -1.757) 5.708 21.826 ( 3.499 10.637 5.432) 12.446 21.844 ( 2.279 5.876 -3.937) 7.431 22.206 ( -2.192 0.814 1.402) 2.726 22.210 ( -2.560 1.202 -2.115) 3.531 22.525 ( -0.512 -0.038 0.294) 0.592 22.610 ( 3.176 -0.339 -0.477) 3.229 23.217 ( -6.228 -9.710 -2.885) 11.890 23.306 ( -2.823 -12.754 -0.767) 13.085 23.428 ( -1.400 0.719 -1.663) 2.290 23.494 ( 0.110 -0.379 -3.006) 3.032 23.575 ( 0.289 -1.540 1.273) 2.018 23.631 ( 5.442 -0.486 2.295) 5.927 24.256 ( -8.309 0.339 6.203) 10.375 24.337 ( -5.329 -0.752 -4.964) 7.321 25.178 ( -15.349 1.463 -2.586) 15.633 25.248 ( -17.077 0.425 2.405) 17.251 25.833 ( 2.254 0.606 -0.064) 2.335 25.839 ( 2.857 0.362 0.045) 2.880 25.910 ( 7.634 -1.835 -1.735) 8.041 25.960 ( 5.392 -2.774 2.314) 6.490 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 10.017 9.474 3.679) 14.270 1.374 ( 10.600 6.505 5.948) 13.786 1.713 ( 4.455 -2.785 -8.874) 10.312 1.919 ( 13.542 2.953 -1.453) 13.936 2.024 ( 9.589 -4.360 8.717) 13.673 2.049 ( 5.585 -3.844 -2.790) 7.332 2.194 ( 1.909 10.202 4.936) 11.493 2.326 ( 1.860 -3.179 0.562) 3.726 2.395 ( 11.037 -1.429 1.833) 11.279 2.437 ( 8.529 -3.231 -7.247) 11.649 2.547 ( 1.269 -2.646 0.567) 2.989 2.609 ( 3.471 4.253 -0.148) 5.491 2.672 ( -3.869 -1.293 1.842) 4.476 2.715 ( 0.629 1.134 3.863) 4.075 2.799 ( 2.011 -0.203 0.849) 2.192 2.821 ( -6.130 -5.392 0.093) 8.165 2.910 ( -4.164 -2.730 0.937) 5.067 2.945 ( -4.274 -1.960 1.395) 4.904 2.987 ( 4.001 2.494 2.441) 5.309 3.105 ( 6.641 3.033 -2.705) 7.786 3.239 ( 4.084 -1.151 -3.081) 5.244 3.252 ( -4.912 -3.684 1.453) 6.309 3.316 ( -2.113 0.116 -0.331) 2.142 3.352 ( 3.123 3.390 1.694) 4.911 3.440 ( 3.997 1.292 2.293) 4.785 3.485 ( 5.116 1.970 -8.218) 9.879 3.513 ( 5.813 9.079 -5.210) 11.974 3.581 ( 5.166 -2.060 0.583) 5.592 3.602 ( 4.964 1.696 -1.660) 5.502 3.625 ( 7.575 1.903 2.883) 8.325 3.678 ( -1.947 0.468 -1.879) 2.746 3.807 ( 7.225 7.706 3.664) 11.181 3.848 ( 2.374 8.544 -1.917) 9.073 3.924 ( -1.592 5.718 3.744) 7.018 4.021 ( 0.189 1.142 0.753) 1.381 4.073 ( 4.630 -0.865 -1.301) 4.886 4.243 ( -0.038 4.999 3.132) 5.899 4.368 ( 2.208 -0.093 -6.108) 6.495 4.449 ( 5.155 1.685 -5.692) 7.862 4.565 ( -0.384 -2.916 0.902) 3.077 4.583 ( 0.293 -0.275 8.832) 8.841 4.654 ( -2.602 1.326 1.082) 3.114 4.754 ( -2.412 -6.001 2.185) 6.827 4.798 ( -1.915 -2.321 -2.286) 3.779 4.866 ( 0.795 -0.528 -0.946) 1.344 4.880 ( -7.210 -6.898 -4.019) 10.757 5.001 ( 2.734 -5.293 -1.946) 6.267 5.093 ( -5.211 -0.974 -0.046) 5.302 5.218 ( -0.261 -3.599 3.766) 5.216 5.251 ( -2.131 -7.964 4.964) 9.623 5.294 ( -1.017 0.439 2.023) 2.306 5.385 ( 6.297 -2.204 -0.958) 6.740 5.472 ( 4.909 -0.249 0.551) 4.946 5.624 ( -0.082 6.691 0.790) 6.738 5.724 ( -6.682 2.154 -6.477) 9.552 5.763 ( 1.409 -1.793 0.337) 2.306 5.895 ( -8.867 2.162 0.017) 9.127 5.950 ( -11.200 5.915 -1.650) 12.773 6.130 ( -9.974 -1.158 -0.073) 10.042 6.172 ( -7.897 -0.800 0.645) 7.963 6.254 ( -2.717 5.769 -1.312) 6.510 6.304 ( -8.166 5.460 0.899) 9.865 6.516 ( -8.076 -3.006 -2.650) 9.016 6.568 ( -9.044 -5.598 1.608) 10.757 6.679 ( -5.794 6.204 2.184) 8.765 6.785 ( -4.316 5.532 -0.320) 7.024 7.058 ( 3.918 1.593 -0.260) 4.237 7.170 ( 2.426 -0.516 0.462) 2.523 7.251 ( 5.202 1.463 -0.588) 5.436 7.334 ( 6.261 3.025 -1.788) 7.180 7.531 ( -2.192 -1.486 -2.785) 3.843 7.569 ( 5.448 0.732 3.929) 6.756 7.725 ( 1.988 -5.203 0.490) 5.592 7.797 ( 1.386 -0.437 7.346) 7.488 7.875 ( 5.926 1.845 -0.525) 6.228 7.989 ( 6.594 -2.018 4.291) 8.121 8.019 ( 2.540 -4.577 1.925) 5.577 8.102 ( 1.336 -3.239 -0.824) 3.599 8.288 ( -3.893 -1.418 -2.077) 4.634 8.314 ( -1.289 -1.280 2.694) 3.249 8.523 ( -4.908 0.648 2.338) 5.475 8.618 ( -0.694 -3.040 -5.494) 6.317 8.660 ( -2.882 5.727 1.869) 6.678 8.712 ( -1.953 4.205 -2.402) 5.222 8.872 ( -5.470 0.562 4.187) 6.912 8.922 ( -1.106 -5.094 -4.632) 6.974 9.165 ( 1.373 4.336 -2.784) 5.333 9.221 ( -6.382 3.780 0.729) 7.454 9.347 ( -2.069 -0.416 2.304) 3.124 9.382 ( 2.363 0.315 0.748) 2.499 9.406 ( -3.847 -6.342 -1.661) 7.601 9.490 ( 4.233 -4.448 1.951) 6.443 9.622 ( -0.024 1.538 2.341) 2.801 9.724 ( 1.907 4.735 -2.315) 5.605 9.793 ( 1.756 5.153 4.713) 7.201 9.857 ( 2.739 8.471 -0.550) 8.920 9.907 ( 4.424 4.628 6.506) 9.128 10.027 ( -1.092 -0.591 1.208) 1.732 10.111 ( 2.763 -2.519 -0.951) 3.858 10.185 ( 0.419 -1.469 -1.134) 1.902 10.267 ( -1.496 -2.746 -5.490) 6.318 10.360 ( 1.816 -2.000 9.391) 9.772 10.440 ( 3.046 -0.008 -2.024) 3.657 10.565 ( 0.564 -0.978 -2.877) 3.091 10.609 ( -3.811 4.439 -0.686) 5.891 10.793 ( 1.845 6.613 4.237) 8.068 10.938 ( -2.215 -3.165 4.377) 5.838 10.980 ( -2.697 0.599 1.113) 2.978 11.112 ( -7.305 -1.823 -2.469) 7.923 11.193 ( -7.029 -0.217 -5.303) 8.808 11.344 ( -8.270 -0.490 -3.263) 8.904 11.369 ( -6.929 2.474 -2.988) 7.941 11.399 ( -3.626 -4.784 -1.744) 6.251 11.503 ( 1.950 -5.563 -5.830) 8.291 11.756 ( 0.705 1.144 0.263) 1.369 11.817 ( 5.454 -2.160 8.075) 9.981 11.963 ( 8.218 0.885 -6.000) 10.214 12.005 ( 8.222 -3.194 4.611) 9.953 12.141 ( 1.495 -5.955 -2.394) 6.591 12.246 ( 5.119 -4.932 0.213) 7.111 12.357 ( 3.063 -0.897 -2.837) 4.271 12.418 ( 7.494 0.236 2.691) 7.966 12.470 ( 8.003 -3.365 0.075) 8.682 12.532 ( 4.641 -2.097 -0.255) 5.099 12.547 ( 8.235 3.764 -3.720) 9.789 12.659 ( 1.409 -1.057 2.727) 3.247 12.689 ( 2.866 -2.936 -0.950) 4.212 12.854 ( 9.571 1.157 0.926) 9.685 12.859 ( 7.119 3.146 2.794) 8.269 12.973 ( 4.251 4.737 3.932) 7.482 13.448 ( -3.603 -3.280 -2.337) 5.404 13.519 ( 1.699 -2.819 -11.890) 12.337 13.646 ( 0.517 -1.689 -3.096) 3.564 13.705 ( 2.483 -6.039 -4.121) 7.721 13.731 ( 3.744 -6.942 0.422) 7.899 13.890 ( 5.469 8.632 -3.851) 10.920 13.993 ( 7.265 -1.983 3.459) 8.287 14.273 ( 1.903 4.139 -1.260) 4.727 14.507 ( 2.597 2.447 6.181) 7.137 14.611 ( 10.305 -0.277 -0.259) 10.312 14.725 ( -3.395 -2.033 -1.730) 4.319 14.867 ( -5.517 -1.521 1.123) 5.832 15.121 ( -5.313 6.169 -1.452) 8.270 15.218 ( -4.968 5.004 4.755) 8.505 15.591 ( -4.709 -0.086 7.540) 8.890 15.668 ( -1.629 -0.969 -0.281) 1.917 15.852 ( -2.846 -0.117 2.540) 3.816 16.021 ( -1.720 -4.252 -3.553) 5.801 16.511 ( -8.807 1.400 4.825) 10.139 16.545 ( -4.778 1.446 -6.707) 8.361 16.650 ( -4.955 -1.517 -3.475) 6.240 16.698 ( -5.837 -3.081 3.211) 7.340 20.392 ( 0.110 1.576 0.202) 1.593 20.457 ( 0.466 0.801 -1.541) 1.798 20.714 ( 1.836 -5.373 5.257) 7.738 20.812 ( 4.970 -5.933 0.453) 7.753 21.328 ( 1.764 9.276 2.623) 9.799 21.362 ( 3.878 5.865 -1.582) 7.207 21.633 ( 5.402 0.767 3.013) 6.232 21.650 ( 7.729 4.120 0.212) 8.761 21.871 ( 2.154 1.092 -2.467) 3.453 21.920 ( 2.162 8.908 3.714) 9.890 22.126 ( -4.021 2.718 -0.390) 4.869 22.165 ( -2.773 3.853 -0.433) 4.767 22.536 ( 2.012 -3.223 -1.572) 4.112 22.677 ( 5.095 0.761 -2.107) 5.566 23.055 ( -8.560 -9.467 -3.431) 13.216 23.187 ( -9.138 -8.615 0.626) 12.574 23.400 ( 0.209 -1.232 -2.375) 2.683 23.466 ( -0.747 -1.633 -2.621) 3.178 23.590 ( -0.107 2.029 1.700) 2.649 23.772 ( 5.705 -3.336 2.429) 7.041 24.127 ( -6.801 1.322 1.836) 7.168 24.224 ( -2.510 1.322 -2.745) 3.947 24.822 ( -15.373 4.225 -11.091) 19.421 24.935 ( -19.980 1.146 8.475) 21.733 25.885 ( 2.969 0.714 -0.013) 3.054 25.898 ( 3.025 0.543 0.039) 3.074 26.026 ( 6.060 -2.556 -2.636) 7.085 26.049 ( 1.987 -3.260 3.188) 4.974 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 7.189 2.910 8.020) 11.157 1.538 ( 2.686 1.294 2.951) 4.195 1.837 ( 13.195 -1.151 -3.075) 13.598 2.054 ( -7.195 1.536 0.056) 7.357 2.146 ( 13.638 2.042 -5.669) 14.910 2.180 ( 11.885 3.037 -5.850) 13.590 2.245 ( -8.047 -1.962 8.076) 11.568 2.375 ( -11.088 1.498 3.015) 11.588 2.406 ( 1.483 4.040 7.014) 8.229 2.515 ( 1.882 -4.504 -1.458) 5.094 2.593 ( 4.208 -3.274 0.761) 5.385 2.606 ( -0.770 -2.196 2.518) 3.429 2.677 ( 4.357 -1.243 -1.835) 4.888 2.772 ( 0.429 -2.869 4.098) 5.021 2.825 ( 3.914 -7.208 3.604) 8.959 2.844 ( -2.305 -3.110 3.295) 5.083 2.899 ( 5.692 -1.775 -3.949) 7.152 2.937 ( 3.916 -3.645 0.466) 5.370 3.041 ( 1.719 3.163 -0.687) 3.665 3.132 ( -3.496 -0.845 -4.323) 5.624 3.155 ( -6.061 -3.033 2.009) 7.069 3.251 ( 1.593 2.394 6.008) 6.661 3.333 ( -1.349 -0.636 2.632) 3.025 3.347 ( -2.336 0.995 -5.646) 6.191 3.478 ( 1.624 3.659 -2.596) 4.771 3.508 ( 1.042 4.680 -3.538) 5.959 3.560 ( 1.851 6.373 -1.466) 6.796 3.624 ( 1.043 4.563 1.637) 4.959 3.645 ( 0.247 4.990 -3.171) 5.917 3.716 ( 7.748 0.737 -4.814) 9.151 3.792 ( -1.809 3.296 1.803) 4.170 3.894 ( 11.629 1.958 -1.530) 11.891 3.929 ( 4.924 2.176 3.200) 6.262 3.990 ( 7.828 4.427 0.781) 9.026 4.084 ( -3.331 1.494 3.438) 5.015 4.148 ( 1.593 2.436 -4.521) 5.378 4.219 ( -2.116 2.421 -7.935) 8.562 4.300 ( -12.733 -1.313 2.399) 13.023 4.380 ( -9.011 4.045 -3.169) 10.373 4.496 ( 1.441 3.273 -3.820) 5.233 4.598 ( 2.457 -2.006 7.314) 7.972 4.612 ( 0.842 0.412 3.471) 3.596 4.679 ( -1.877 -3.706 5.873) 7.194 4.777 ( -1.941 -3.477 0.957) 4.096 4.871 ( 1.163 -2.161 -3.455) 4.238 4.931 ( 1.387 -0.677 -4.962) 5.197 5.032 ( 5.403 -6.073 0.171) 8.131 5.093 ( 1.819 1.919 3.115) 4.086 5.142 ( -3.205 -5.032 3.079) 6.713 5.274 ( -2.014 1.281 -0.940) 2.566 5.300 ( 5.010 -0.099 1.618) 5.266 5.452 ( -4.900 -1.123 -0.136) 5.029 5.550 ( 0.938 4.657 -1.768) 5.069 5.620 ( 0.020 1.546 0.896) 1.787 5.650 ( 3.115 2.253 1.482) 4.120 5.735 ( -3.272 3.031 0.831) 4.537 5.811 ( -1.558 7.012 -1.988) 7.452 5.841 ( 0.756 1.130 -3.341) 3.607 5.991 ( -2.789 -3.611 -0.815) 4.635 6.050 ( -3.281 -1.549 0.760) 3.707 6.148 ( -5.236 1.050 0.525) 5.366 6.251 ( -2.119 6.796 1.528) 7.281 6.327 ( -6.194 -3.136 -1.993) 7.223 6.421 ( -6.510 -1.879 -0.511) 6.795 6.627 ( -1.463 5.902 3.489) 7.011 6.731 ( -1.308 4.881 -2.632) 5.698 7.130 ( 3.655 -1.267 0.282) 3.878 7.239 ( 0.933 -3.603 -4.029) 5.485 7.335 ( 5.452 -1.196 1.045) 5.679 7.378 ( -1.560 -1.338 0.120) 2.059 7.487 ( 3.375 1.129 -1.042) 3.708 7.574 ( -5.195 1.408 2.832) 6.082 7.801 ( 3.614 -5.171 1.186) 6.419 7.877 ( -0.056 -4.323 -1.304) 4.515 7.975 ( 4.507 -0.116 5.479) 7.095 8.051 ( -0.105 -2.484 0.280) 2.502 8.117 ( 2.476 -1.900 -0.757) 3.212 8.177 ( -4.947 1.527 -1.515) 5.395 8.196 ( 8.797 -0.618 4.444) 9.875 8.301 ( -2.353 -2.987 4.535) 5.918 8.444 ( -7.160 0.573 7.780) 10.588 8.576 ( 0.354 -1.731 -4.811) 5.125 8.599 ( -4.482 2.394 0.590) 5.116 8.659 ( 0.125 1.670 -6.594) 6.804 8.840 ( -2.072 0.914 7.779) 8.102 8.920 ( 3.167 -1.729 -4.026) 5.406 9.137 ( -2.649 4.829 0.849) 5.573 9.167 ( 1.727 5.800 -4.387) 7.474 9.319 ( -2.641 -1.593 2.630) 4.053 9.370 ( 0.183 -3.784 -0.183) 3.792 9.408 ( 0.423 1.181 -2.468) 2.768 9.473 ( -3.125 -1.175 -7.149) 7.890 9.654 ( 0.175 -2.725 9.439) 9.826 9.790 ( 4.379 3.713 1.090) 5.843 9.861 ( -0.147 5.912 0.240) 5.918 9.892 ( 3.957 2.953 1.275) 5.099 9.998 ( -1.339 7.002 7.712) 10.502 10.013 ( 1.532 -3.953 -0.634) 4.286 10.135 ( -3.877 -3.377 -0.269) 5.149 10.223 ( 6.559 -1.453 -3.674) 7.657 10.242 ( 1.668 2.258 -1.447) 3.158 10.387 ( -2.387 -0.502 6.547) 6.986 10.469 ( -6.560 -5.399 1.132) 8.571 10.585 ( 9.209 3.503 0.239) 9.856 10.602 ( 4.162 -3.760 -9.253) 10.820 10.759 ( -8.220 6.095 3.345) 10.766 10.938 ( -1.168 3.458 -0.232) 3.657 10.955 ( 0.892 -0.585 0.056) 1.068 11.058 ( -2.752 -5.791 4.772) 7.993 11.090 ( 2.847 3.787 -5.798) 7.487 11.192 ( -3.143 -0.734 -0.680) 3.298 11.226 ( -6.446 -0.585 -1.484) 6.640 11.311 ( -0.938 -3.704 -3.532) 5.203 11.452 ( -4.156 -2.577 -7.163) 8.673 11.765 ( 0.365 -0.995 5.477) 5.579 11.926 ( -3.798 0.756 11.529) 12.162 11.981 ( -3.646 -2.343 -2.821) 5.172 12.057 ( 8.099 -0.153 -9.869) 12.768 12.266 ( 1.715 -2.342 2.289) 3.696 12.358 ( 5.409 -0.629 10.026) 11.409 12.408 ( 5.404 -5.267 -6.020) 9.653 12.525 ( 1.886 -4.933 1.437) 5.473 12.551 ( 4.266 -2.703 -4.095) 6.502 12.601 ( 1.907 0.512 0.188) 1.984 12.644 ( 0.732 -1.818 -3.719) 4.204 12.650 ( -0.137 -0.452 -0.330) 0.576 12.814 ( 9.305 -3.338 0.319) 9.890 12.934 ( -1.740 -1.848 1.986) 3.223 13.056 ( 7.091 4.304 4.990) 9.680 13.107 ( 7.489 7.779 5.189) 11.980 13.379 ( -2.237 4.075 -6.912) 8.330 13.439 ( -0.956 3.263 -8.137) 8.819 13.607 ( -2.967 -7.267 -5.489) 9.578 13.621 ( 0.554 -1.925 -7.724) 7.980 13.877 ( 2.732 -0.295 3.238) 4.247 13.923 ( 1.843 5.222 -2.425) 6.046 14.172 ( 6.644 0.934 4.202) 7.917 14.299 ( 4.537 -1.824 -0.928) 4.977 14.447 ( -7.719 -7.367 2.192) 10.893 14.627 ( -8.765 -8.159 -4.738) 12.878 14.776 ( 0.911 1.892 4.876) 5.309 14.850 ( 7.988 0.823 -3.776) 8.874 15.082 ( 1.141 7.062 2.213) 7.488 15.150 ( -4.821 5.210 2.879) 7.660 15.563 ( -4.299 0.617 10.788) 11.630 15.655 ( -0.030 -1.491 1.182) 1.903 15.831 ( -0.790 1.049 1.367) 1.895 15.955 ( -1.198 -2.156 -6.328) 6.792 16.387 ( -6.967 1.514 4.286) 8.318 16.452 ( 0.083 1.281 -6.354) 6.482 16.591 ( 0.042 -2.918 -0.796) 3.025 16.620 ( -3.727 -4.283 1.341) 5.834 20.404 ( 0.691 1.352 0.834) 1.733 20.450 ( -0.077 0.999 -1.860) 2.112 20.776 ( 0.624 -7.501 6.361) 9.855 20.872 ( 1.913 -8.616 -1.237) 8.912 21.399 ( 2.496 11.375 3.258) 12.093 21.434 ( 3.557 7.901 -0.772) 8.699 21.732 ( 2.694 -1.386 3.294) 4.476 21.797 ( 7.542 3.752 0.704) 8.453 21.868 ( -0.966 -1.769 -3.661) 4.179 21.917 ( -3.651 1.429 0.919) 4.027 22.082 ( -0.494 8.768 0.274) 8.786 22.140 ( 0.044 7.340 0.996) 7.408 22.571 ( 3.175 -6.060 -1.886) 7.097 22.732 ( -0.748 0.820 -6.005) 6.106 22.917 ( -0.686 -7.069 0.407) 7.114 23.015 ( -8.557 -4.626 0.839) 9.764 23.403 ( 1.244 -2.340 -1.505) 3.048 23.438 ( -0.464 -0.993 -2.742) 2.953 23.603 ( 0.848 0.031 3.405) 3.510 23.797 ( -3.241 -6.836 -2.163) 7.868 24.087 ( 0.145 6.351 3.120) 7.078 24.193 ( -1.251 5.908 -3.181) 6.825 24.592 ( -0.169 0.569 -6.356) 6.384 24.638 ( -15.512 0.619 5.873) 16.598 25.929 ( 1.447 0.495 0.177) 1.539 25.939 ( 1.246 0.807 -0.312) 1.517 26.074 ( -1.312 -2.570 3.271) 4.361 26.101 ( 3.847 -2.679 -2.934) 5.531 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -6.575 1.810 2.536) 7.276 1.566 ( -0.745 0.054 1.421) 1.605 1.792 ( -16.721 1.508 0.131) 16.789 2.027 ( -12.159 3.799 5.949) 14.059 2.071 ( -11.545 2.067 4.947) 12.729 2.106 ( 7.657 1.960 -2.379) 8.255 2.377 ( 8.395 -2.303 -2.767) 9.135 2.402 ( 4.059 -3.409 -4.344) 6.853 2.469 ( 3.313 0.583 1.443) 3.660 2.539 ( -1.840 -0.579 -3.890) 4.342 2.591 ( 5.865 -1.620 0.546) 6.109 2.681 ( 2.122 -4.132 -3.562) 5.853 2.697 ( -6.061 1.066 -1.983) 6.465 2.761 ( 2.266 -3.220 2.713) 4.781 2.822 ( -0.562 -2.720 2.805) 3.947 2.900 ( -6.968 -5.131 -1.500) 8.782 2.925 ( 0.824 -1.637 -4.399) 4.766 2.978 ( -0.037 -3.705 -3.298) 4.960 3.007 ( -0.512 -0.686 2.736) 2.867 3.057 ( 0.316 -0.019 0.137) 0.345 3.179 ( -0.530 3.488 8.693) 9.382 3.264 ( 1.002 0.421 -6.187) 6.282 3.302 ( -3.639 -0.286 1.495) 3.945 3.338 ( 2.666 -0.461 4.408) 5.172 3.424 ( -5.849 4.694 -0.169) 7.501 3.494 ( 0.485 1.886 -1.116) 2.244 3.529 ( -10.848 1.943 7.137) 13.130 3.563 ( -3.930 6.460 -3.668) 8.404 3.624 ( 1.028 7.652 0.355) 7.729 3.731 ( -3.309 4.675 -3.572) 6.750 3.824 ( -14.187 5.468 4.380) 15.822 3.875 ( -3.686 -1.421 -1.369) 4.181 3.931 ( 0.282 -0.966 -2.261) 2.475 4.017 ( 2.013 0.992 3.667) 4.300 4.055 ( 0.873 3.866 1.124) 4.120 4.121 ( -0.084 2.575 -2.745) 3.765 4.180 ( 7.292 2.403 -2.910) 8.211 4.321 ( 9.930 -0.126 2.111) 10.153 4.410 ( -3.020 3.298 -3.032) 5.402 4.439 ( 1.178 1.159 -1.924) 2.536 4.608 ( -7.089 -1.140 1.851) 7.415 4.680 ( 2.624 -0.181 4.328) 5.065 4.709 ( 1.759 -3.557 3.769) 5.473 4.729 ( -2.404 -4.368 0.526) 5.013 4.787 ( -3.236 -1.376 4.143) 5.435 4.961 ( 2.419 1.004 -5.407) 6.008 5.076 ( -1.866 -7.228 -1.075) 7.542 5.134 ( -5.864 -2.616 0.431) 6.435 5.206 ( 12.358 -1.712 -5.543) 13.651 5.246 ( 4.751 1.894 -0.612) 5.151 5.338 ( -1.313 1.522 -3.567) 4.095 5.450 ( 6.058 7.625 2.315) 10.010 5.565 ( -1.796 -3.425 -4.409) 5.865 5.656 ( 7.327 -0.444 0.678) 7.371 5.699 ( -4.621 6.594 -4.417) 9.184 5.721 ( 3.044 6.201 0.343) 6.916 5.747 ( -2.759 3.106 3.905) 5.702 5.843 ( 4.748 3.352 -1.284) 5.952 5.983 ( -1.672 -5.179 -1.714) 5.706 6.045 ( 3.484 -2.960 1.579) 4.837 6.115 ( -2.446 -0.066 2.916) 3.807 6.274 ( 12.268 4.217 0.694) 12.992 6.317 ( -1.669 -2.110 -1.498) 3.079 6.413 ( 8.730 0.706 0.107) 8.759 6.663 ( 1.916 6.571 3.860) 7.858 6.699 ( 0.586 4.595 -3.110) 5.579 7.153 ( -3.957 -1.548 -1.759) 4.599 7.190 ( 0.551 -1.751 0.226) 1.849 7.316 ( -4.888 -1.628 2.123) 5.572 7.422 ( 0.859 -0.417 -3.111) 3.254 7.475 ( -3.806 0.923 0.464) 3.944 7.605 ( 6.705 0.772 -0.198) 6.752 7.784 ( -5.497 -4.337 1.883) 7.250 7.874 ( 0.834 -5.078 -0.720) 5.196 8.001 ( -4.468 -0.751 2.378) 5.117 8.061 ( 1.370 -5.525 1.868) 5.991 8.089 ( -4.379 -1.865 -1.314) 4.937 8.160 ( 1.191 2.715 0.714) 3.050 8.251 ( -4.827 -3.119 3.253) 6.604 8.329 ( -0.718 -1.129 1.702) 2.165 8.411 ( 1.567 0.726 7.404) 7.603 8.514 ( -4.780 0.420 2.136) 5.252 8.593 ( 1.261 0.172 1.397) 1.890 8.643 ( 3.317 -0.434 -5.892) 6.775 8.877 ( 1.684 2.158 1.693) 3.218 8.966 ( 3.751 -0.478 -3.855) 5.400 9.110 ( -1.189 7.014 -0.140) 7.115 9.182 ( 3.447 4.783 -1.890) 6.191 9.312 ( 0.064 -0.889 2.692) 2.836 9.366 ( -0.769 0.197 -4.834) 4.899 9.405 ( 3.020 -2.395 1.856) 4.278 9.419 ( 1.585 -1.659 -2.882) 3.684 9.729 ( 0.038 -2.135 9.523) 9.759 9.802 ( -4.712 3.114 3.974) 6.906 9.834 ( -1.240 1.163 -7.858) 8.040 9.916 ( 0.946 0.951 -3.892) 4.116 10.007 ( -3.521 6.909 6.656) 10.220 10.058 ( -0.630 -3.765 4.032) 5.553 10.093 ( 2.361 -1.155 -0.489) 2.673 10.196 ( 0.599 4.061 -7.985) 8.979 10.295 ( -7.008 1.438 -0.860) 7.206 10.365 ( 1.863 -3.156 5.752) 6.820 10.441 ( 0.390 0.396 5.044) 5.075 10.555 ( -6.141 0.843 -0.810) 6.251 10.616 ( -0.292 -1.737 -6.000) 6.254 10.765 ( 4.935 0.128 3.633) 6.129 10.949 ( 2.372 3.449 -0.777) 4.258 11.005 ( 8.298 5.628 -5.316) 11.349 11.034 ( -3.194 -2.206 -1.479) 4.154 11.070 ( -0.306 -2.495 2.290) 3.400 11.220 ( 5.842 -1.239 -1.586) 6.179 11.241 ( 5.325 -3.561 1.426) 6.563 11.305 ( -3.257 -3.064 -7.297) 8.558 11.365 ( 5.474 -0.059 1.568) 5.695 11.822 ( -4.464 -2.884 9.412) 10.808 11.861 ( -3.378 -0.890 3.374) 4.857 11.897 ( -2.966 1.013 -0.396) 3.160 12.145 ( 5.679 -1.424 -5.188) 7.823 12.293 ( -0.245 -1.521 1.862) 2.417 12.368 ( -5.044 -8.720 -5.575) 11.513 12.439 ( -4.061 0.805 3.115) 5.181 12.495 ( -5.921 0.625 -1.483) 6.135 12.566 ( -2.431 -4.492 1.445) 5.308 12.571 ( -2.085 -4.486 1.280) 5.110 12.627 ( 0.735 -1.660 -4.360) 4.723 12.688 ( 4.498 0.180 -3.210) 5.529 12.815 ( -9.253 -1.083 -0.838) 9.354 12.960 ( 3.693 -5.440 0.572) 6.600 13.148 ( -1.929 6.502 1.750) 7.004 13.195 ( -3.004 5.013 -9.640) 11.273 13.306 ( 0.578 8.835 7.316) 11.486 13.365 ( -0.634 5.048 -6.014) 7.878 13.549 ( -1.128 -4.725 -3.459) 5.964 13.598 ( 2.146 -1.517 -4.292) 5.032 13.853 ( -3.061 1.019 2.488) 4.074 13.984 ( 4.850 5.172 -4.655) 8.482 14.234 ( -10.334 -2.315 -1.578) 10.707 14.258 ( -4.188 -1.811 2.521) 5.213 14.440 ( 3.875 -11.841 5.266) 13.526 14.569 ( 9.877 -8.371 -2.184) 13.130 14.756 ( -6.109 1.941 4.967) 8.109 14.875 ( -3.195 0.660 -3.658) 4.902 15.097 ( -1.153 7.509 0.621) 7.623 15.175 ( 5.828 5.100 0.065) 7.744 15.578 ( -1.661 0.091 10.301) 10.434 15.677 ( 1.733 -1.215 0.048) 2.117 15.845 ( 1.120 0.208 2.357) 2.617 15.920 ( 2.219 -0.649 -6.507) 6.906 16.338 ( -1.078 1.451 5.103) 5.414 16.477 ( 6.298 1.113 -4.922) 8.071 16.572 ( -1.007 -5.184 0.941) 5.364 16.645 ( 5.017 -2.710 -1.054) 5.799 20.422 ( 0.442 1.339 0.953) 1.702 20.431 ( -0.455 1.395 -1.891) 2.393 20.815 ( -0.582 -7.689 4.674) 9.017 20.879 ( 0.675 -10.124 -3.644) 10.781 21.392 ( -4.738 9.797 2.145) 11.092 21.471 ( 0.247 8.369 -2.124) 8.638 21.769 ( -5.428 -2.470 0.773) 6.014 21.794 ( -0.501 -1.543 2.724) 3.171 21.826 ( -3.722 2.597 -2.766) 5.315 21.948 ( 7.217 1.843 -1.623) 7.624 22.107 ( 1.056 8.772 1.980) 9.054 22.131 ( 0.127 8.799 -3.710) 9.550 22.590 ( -5.617 -2.851 -3.207) 7.069 22.646 ( 2.264 -1.015 2.329) 3.403 22.866 ( -3.972 -6.854 4.128) 8.933 23.075 ( 11.288 -0.621 -3.870) 11.949 23.397 ( -1.172 -0.228 -1.067) 1.601 23.436 ( 2.517 -2.464 -2.654) 4.410 23.669 ( -1.887 -4.671 2.338) 5.554 23.719 ( 2.739 -5.781 0.853) 6.453 24.016 ( -8.602 7.316 6.150) 12.859 24.219 ( 2.152 4.157 -1.584) 4.942 24.444 ( -3.704 4.890 6.441) 8.895 24.760 ( 16.484 -1.731 -5.210) 17.374 25.929 ( -1.557 0.601 0.144) 1.675 25.942 ( -0.664 0.639 -0.567) 1.081 26.045 ( -3.777 -1.794 2.853) 5.062 26.134 ( 1.702 -3.538 -2.905) 4.884 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -20.852 13.717 0.658) 24.968 1.451 ( -14.513 5.728 12.863) 20.221 1.561 ( -4.574 -1.529 -9.664) 10.801 1.870 ( -6.007 0.461 4.488) 7.512 1.974 ( -1.065 -0.778 3.030) 3.305 2.226 ( 0.301 -0.742 -6.558) 6.607 2.282 ( -9.065 -3.440 4.238) 10.582 2.366 ( -3.318 -7.003 -3.622) 8.555 2.376 ( -10.578 2.513 -7.773) 13.365 2.448 ( -15.944 6.212 -3.199) 17.408 2.578 ( -7.148 -2.064 -0.631) 7.467 2.601 ( 1.593 0.138 -1.275) 2.045 2.704 ( 0.640 -0.172 0.131) 0.676 2.770 ( 0.580 0.770 -2.188) 2.391 2.786 ( -3.936 -1.542 4.429) 6.122 2.834 ( -4.680 0.405 -3.967) 6.149 2.935 ( 5.370 -0.602 -0.602) 5.437 2.968 ( -1.203 0.602 1.447) 1.976 2.978 ( -2.818 1.499 1.710) 3.621 3.061 ( -2.091 0.460 2.669) 3.422 3.137 ( 0.959 2.634 5.918) 6.549 3.214 ( -2.807 -0.797 -1.071) 3.108 3.302 ( 2.050 -1.619 -0.875) 2.755 3.334 ( -5.027 -1.432 -0.397) 5.242 3.406 ( -0.317 2.134 1.422) 2.584 3.457 ( -0.378 0.101 6.803) 6.814 3.504 ( -1.168 6.829 -5.608) 8.914 3.518 ( -1.578 -3.207 0.550) 3.617 3.594 ( 1.060 2.651 3.609) 4.601 3.653 ( -3.632 0.524 -0.831) 3.763 3.670 ( -4.382 4.207 1.423) 6.239 3.827 ( -1.793 2.880 -0.395) 3.416 3.911 ( -6.892 1.157 -6.967) 9.867 3.942 ( 2.584 4.303 0.270) 5.027 4.062 ( -3.290 0.875 0.636) 3.464 4.130 ( -7.723 6.612 -7.105) 12.403 4.208 ( 1.959 -2.018 7.917) 8.402 4.343 ( -1.316 5.567 -2.946) 6.435 4.366 ( -0.598 3.576 1.098) 3.788 4.509 ( -2.104 -3.385 5.621) 6.891 4.615 ( 3.532 -4.881 2.709) 6.606 4.694 ( 0.084 -1.663 4.033) 4.363 4.729 ( -0.499 -5.652 3.945) 6.911 4.796 ( 8.566 -2.894 -5.095) 10.378 4.828 ( 3.021 -2.719 -1.283) 4.262 4.890 ( -3.720 -1.681 -2.915) 5.017 4.998 ( -2.252 -4.387 0.520) 4.958 5.130 ( 3.187 -5.015 -1.425) 6.110 5.269 ( 0.216 3.022 -8.607) 9.125 5.301 ( -2.735 -5.311 1.156) 6.085 5.392 ( 0.817 1.880 -4.478) 4.925 5.432 ( -2.724 -1.036 0.247) 2.925 5.526 ( -0.174 -0.106 -4.059) 4.064 5.608 ( 1.325 2.602 -4.815) 5.631 5.672 ( 0.172 5.821 0.678) 5.863 5.776 ( 3.241 -2.263 -0.704) 4.016 5.898 ( 10.376 2.640 2.611) 11.020 5.929 ( 9.371 5.486 -2.788) 11.211 6.088 ( 9.859 -1.441 3.946) 10.717 6.155 ( 6.084 1.375 4.769) 7.852 6.169 ( 3.390 -1.958 2.379) 4.581 6.354 ( 7.642 3.913 -1.499) 8.715 6.473 ( 6.401 0.211 0.544) 6.427 6.627 ( 12.848 -3.214 -3.465) 13.690 6.714 ( 5.897 7.307 -1.237) 9.471 6.768 ( 5.542 5.721 1.817) 8.170 7.072 ( -3.128 1.864 -1.711) 4.023 7.171 ( -1.999 -0.504 0.460) 2.113 7.233 ( -5.493 0.840 0.942) 5.636 7.326 ( -4.870 4.931 -1.825) 7.167 7.486 ( 0.187 -0.899 1.536) 1.790 7.628 ( -4.662 -0.533 -1.357) 4.884 7.713 ( -2.468 -4.672 1.529) 5.501 7.850 ( -4.104 -3.506 1.215) 5.533 7.904 ( -5.202 3.680 -0.361) 6.383 8.022 ( -1.517 -4.979 2.489) 5.769 8.047 ( -4.136 -5.481 -2.288) 7.238 8.145 ( -4.124 -0.995 -4.010) 5.838 8.193 ( -0.029 -1.643 5.501) 5.741 8.338 ( -1.064 -1.463 1.898) 2.622 8.459 ( 0.207 -1.333 5.015) 5.193 8.525 ( 4.055 -2.421 3.275) 5.747 8.610 ( -0.918 2.709 6.513) 7.114 8.700 ( 3.646 2.672 -1.683) 4.823 8.910 ( 3.256 2.184 -3.316) 5.135 8.997 ( 3.687 -0.503 -4.936) 6.182 9.114 ( 1.036 6.473 0.709) 6.593 9.248 ( 4.769 3.150 -1.645) 5.948 9.346 ( 0.132 -1.958 1.789) 2.655 9.352 ( -1.038 -1.314 3.639) 4.006 9.448 ( 1.766 -3.428 -3.865) 5.459 9.491 ( 4.625 -2.720 0.195) 5.369 9.683 ( -4.334 4.315 -0.922) 6.185 9.741 ( -3.316 3.218 -5.500) 7.183 9.798 ( 0.197 -0.828 4.374) 4.456 9.877 ( -3.307 2.852 -0.002) 4.367 9.987 ( -0.473 3.538 0.405) 3.593 10.027 ( -2.090 -1.071 -2.910) 3.740 10.121 ( -0.999 -1.584 0.717) 2.005 10.143 ( -7.406 -2.087 4.103) 8.720 10.208 ( 0.623 4.820 -1.433) 5.067 10.361 ( -0.297 7.336 5.483) 9.164 10.423 ( -4.690 1.801 2.015) 5.413 10.562 ( 4.054 -4.491 -7.558) 9.682 10.634 ( 6.442 -1.144 0.495) 6.562 10.846 ( -0.062 2.342 2.049) 3.113 10.950 ( -2.017 2.208 2.743) 4.058 11.028 ( 5.051 1.789 -1.762) 5.641 11.086 ( 5.250 0.495 -7.604) 9.253 11.156 ( 5.238 -2.022 4.630) 7.278 11.316 ( 6.561 -7.054 -1.622) 9.769 11.343 ( 9.853 1.042 -2.246) 10.160 11.388 ( 6.794 -3.687 0.039) 7.730 11.443 ( 1.667 0.018 -0.488) 1.737 11.687 ( -11.862 0.849 9.860) 15.448 11.828 ( -0.498 -1.620 -2.602) 3.105 11.941 ( -0.132 -2.816 7.311) 7.836 12.090 ( -9.376 -7.361 -10.264) 15.730 12.174 ( -11.941 -5.580 -3.077) 13.535 12.262 ( -3.663 -3.021 3.222) 5.738 12.299 ( -5.134 -1.260 -0.966) 5.374 12.418 ( -4.940 0.410 -1.894) 5.306 12.483 ( -5.455 3.235 0.989) 6.419 12.517 ( -4.726 -1.418 1.676) 5.211 12.598 ( -1.007 -3.826 -4.297) 5.841 12.644 ( -5.545 2.652 -3.598) 7.122 12.732 ( 0.940 -0.732 -3.020) 3.246 12.925 ( -5.519 -3.646 -3.698) 7.578 12.965 ( -11.482 2.107 -9.637) 15.138 13.045 ( -6.764 5.048 -1.436) 8.561 13.358 ( 0.401 -0.268 4.333) 4.359 13.428 ( 6.009 0.696 1.691) 6.281 13.534 ( -0.029 -2.203 2.718) 3.498 13.616 ( -0.132 1.096 2.253) 2.508 13.822 ( -0.996 -5.594 -3.547) 6.698 13.921 ( -8.386 1.208 -6.843) 10.890 14.062 ( -3.400 -3.785 -3.784) 6.341 14.219 ( -1.604 3.295 3.818) 5.292 14.484 ( -8.491 0.593 9.417) 12.693 14.636 ( -2.990 1.401 -6.212) 7.035 14.750 ( -0.622 -5.400 -2.460) 5.967 14.835 ( 8.817 -4.753 4.047) 10.803 15.099 ( 0.890 8.914 1.212) 9.040 15.264 ( 3.935 5.154 -0.522) 6.506 15.617 ( -0.086 -1.117 5.398) 5.513 15.711 ( 2.728 0.148 -3.109) 4.138 15.894 ( 1.546 -3.581 3.194) 5.041 15.955 ( 4.365 -1.168 -1.776) 4.855 16.414 ( 4.639 1.370 6.368) 7.997 16.584 ( 5.416 -3.096 -0.448) 6.255 16.614 ( 7.061 0.245 -2.154) 7.387 16.748 ( 6.500 -1.705 -1.886) 6.980 20.408 ( -0.323 1.469 -1.580) 2.182 20.436 ( 0.209 1.499 0.733) 1.681 20.801 ( -3.078 -5.868 0.876) 6.684 20.839 ( -2.196 -10.229 -5.909) 12.016 21.311 ( -4.091 7.683 2.051) 8.943 21.407 ( -3.650 4.973 -3.668) 7.177 21.631 ( -8.185 2.012 0.950) 8.482 21.723 ( -4.925 1.908 -4.738) 7.095 21.804 ( -2.605 -0.050 4.391) 5.106 22.010 ( 1.832 6.847 -6.860) 9.864 22.129 ( 1.596 10.492 -0.643) 10.633 22.147 ( 2.626 3.641 0.945) 4.587 22.511 ( -1.199 -2.077 0.018) 2.398 22.633 ( -3.748 3.384 1.342) 5.225 22.971 ( 8.526 -11.429 6.657) 15.736 23.232 ( 7.602 -1.182 -3.889) 8.620 23.379 ( 0.028 0.258 -0.473) 0.539 23.470 ( 2.601 -3.337 -2.185) 4.762 23.630 ( 0.600 0.284 -1.854) 1.969 23.801 ( -1.422 -6.165 0.219) 6.331 23.976 ( 0.525 3.679 12.861) 13.387 24.208 ( 1.293 -3.870 3.992) 5.709 24.618 ( 13.394 12.540 7.814) 19.943 25.059 ( 18.125 -1.533 -4.524) 18.744 25.884 ( -3.012 0.744 0.019) 3.103 25.905 ( -2.719 0.427 -0.648) 2.827 25.975 ( -5.541 -1.397 2.430) 6.210 26.120 ( -1.192 -5.123 -3.656) 6.405 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -10.274 12.028 12.154) 19.949 1.286 ( -14.828 11.914 20.011) 27.609 1.439 ( 0.026 -1.967 -13.836) 13.975 1.824 ( -9.338 0.615 -11.095) 14.514 1.852 ( -6.176 -2.833 2.172) 7.133 2.010 ( -16.746 19.438 8.449) 27.012 2.101 ( -2.666 -2.298 -5.804) 6.788 2.209 ( -3.979 -3.350 -4.792) 7.073 2.290 ( -1.131 -3.327 3.213) 4.762 2.341 ( 0.234 -1.586 -0.551) 1.696 2.472 ( -4.521 0.738 0.220) 4.586 2.547 ( -2.638 -0.074 -1.351) 2.965 2.663 ( -5.801 2.071 6.390) 8.875 2.737 ( 2.327 -0.517 0.048) 2.384 2.781 ( 0.863 3.135 0.313) 3.267 2.817 ( -1.534 1.116 1.503) 2.420 2.864 ( -4.033 1.905 2.447) 5.087 2.962 ( -5.039 1.283 0.578) 5.232 3.020 ( 1.349 2.416 -0.370) 2.792 3.041 ( -0.947 1.318 -1.191) 2.013 3.155 ( -2.188 0.634 0.972) 2.477 3.193 ( -1.488 -0.020 2.685) 3.070 3.323 ( 3.577 -1.143 0.266) 3.765 3.357 ( -2.312 -0.514 -0.701) 2.470 3.359 ( 1.797 1.303 -0.241) 2.233 3.418 ( 1.801 -2.169 -5.600) 6.270 3.479 ( -4.823 -0.492 -1.147) 4.982 3.486 ( -0.689 -3.838 3.625) 5.324 3.553 ( -0.940 -0.939 0.736) 1.519 3.624 ( 0.872 0.618 -5.860) 5.957 3.711 ( -1.630 6.171 -0.746) 6.426 3.808 ( 7.404 -0.478 0.020) 7.420 3.831 ( -1.112 6.927 -2.814) 7.559 3.936 ( -4.932 3.517 -8.143) 10.149 3.968 ( -6.825 1.463 -0.804) 7.027 4.036 ( 2.443 7.016 6.037) 9.573 4.195 ( -4.426 -3.299 2.575) 6.091 4.287 ( -1.062 1.252 5.226) 5.478 4.352 ( -2.475 -2.740 -2.433) 4.422 4.553 ( -1.541 -6.072 3.717) 7.284 4.594 ( -7.815 -0.203 -3.968) 8.767 4.657 ( 1.523 -2.705 2.458) 3.960 4.725 ( 2.445 -1.692 -0.404) 3.001 4.853 ( -1.342 2.009 -0.499) 2.467 4.884 ( -1.133 -5.786 3.303) 6.758 4.903 ( -1.628 -1.340 -4.286) 4.776 4.978 ( 4.162 -5.519 4.721) 8.371 5.134 ( -5.661 -1.672 0.119) 5.904 5.172 ( -1.761 -0.203 -1.616) 2.399 5.265 ( -0.731 -0.053 -6.197) 6.240 5.305 ( 0.526 -8.673 -3.015) 9.198 5.403 ( -1.972 -5.213 -1.126) 5.686 5.549 ( 5.871 2.445 -2.209) 6.733 5.662 ( 6.490 4.065 -1.349) 7.776 5.738 ( 2.669 -2.081 4.611) 5.720 5.871 ( 5.020 -3.626 -3.216) 6.978 6.083 ( 6.073 3.870 2.220) 7.535 6.091 ( 9.697 4.059 -1.453) 10.612 6.227 ( 4.129 -2.124 4.524) 6.482 6.286 ( 7.470 0.277 4.179) 8.564 6.364 ( 8.948 4.191 -0.280) 9.885 6.468 ( 5.839 6.322 -3.899) 9.448 6.594 ( 5.423 -6.027 4.766) 9.405 6.716 ( 2.293 3.554 -5.628) 7.040 6.795 ( -1.249 -3.409 -3.717) 5.196 6.898 ( 4.265 0.646 -0.403) 4.332 7.048 ( -1.556 4.615 3.698) 6.115 7.092 ( -2.511 3.944 -3.228) 5.682 7.186 ( 1.345 5.303 -0.459) 5.490 7.284 ( 3.208 4.653 -3.205) 6.497 7.453 ( -5.805 3.271 3.299) 7.435 7.496 ( -4.461 -0.942 -2.737) 5.317 7.724 ( -0.073 -4.044 0.041) 4.045 7.769 ( -1.870 -1.726 3.492) 4.321 7.823 ( -4.516 3.248 -0.237) 5.567 7.937 ( -4.368 -2.708 -3.362) 6.141 8.009 ( -3.534 -1.892 -0.178) 4.012 8.069 ( 0.121 -6.356 -0.131) 6.358 8.206 ( -5.764 -4.651 8.008) 10.908 8.312 ( 0.882 -5.746 0.469) 5.832 8.546 ( 3.405 3.136 4.908) 6.746 8.616 ( 1.732 3.597 1.602) 4.302 8.655 ( 2.968 4.617 2.333) 5.963 8.754 ( 3.772 3.920 -0.537) 5.467 8.979 ( 5.216 -0.162 0.143) 5.220 9.077 ( 6.565 0.548 -4.186) 7.805 9.113 ( -0.209 -0.589 -1.639) 1.754 9.265 ( -5.517 -1.471 2.064) 6.071 9.329 ( -3.454 -0.316 2.621) 4.347 9.378 ( 2.368 4.918 -1.913) 5.784 9.417 ( 4.090 -0.821 2.851) 5.053 9.546 ( -1.283 1.444 -0.420) 1.977 9.641 ( 0.479 2.275 -3.232) 3.981 9.731 ( 5.222 2.602 -1.665) 6.068 9.786 ( -4.351 3.858 -2.998) 6.543 9.800 ( -2.426 -2.147 1.521) 3.579 9.903 ( -3.730 4.253 -5.414) 7.830 10.005 ( -2.480 -1.603 0.905) 3.088 10.112 ( 3.559 -1.054 -0.596) 3.759 10.153 ( -1.704 3.273 -2.434) 4.420 10.218 ( 3.686 -0.657 8.686) 9.459 10.329 ( -3.414 -0.389 2.005) 3.979 10.460 ( 2.554 1.187 -0.163) 2.822 10.582 ( 4.520 4.674 0.130) 6.503 10.726 ( 0.682 2.549 -2.989) 3.987 10.808 ( 1.317 1.999 -3.207) 4.002 11.027 ( 1.354 -2.584 6.272) 6.917 11.083 ( 3.417 -5.026 -6.767) 9.096 11.122 ( -0.045 1.059 -1.044) 1.488 11.232 ( -3.635 -2.211 4.878) 6.473 11.380 ( -1.083 -5.821 3.093) 6.680 11.428 ( 1.202 0.481 0.791) 1.517 11.448 ( 2.925 -9.257 -4.966) 10.904 11.539 ( 3.924 -0.373 0.301) 3.953 11.594 ( -1.361 0.407 4.865) 5.068 11.773 ( -5.886 -6.436 -5.698) 10.418 11.826 ( 2.087 2.053 -1.488) 3.284 11.941 ( -4.960 -0.685 -4.596) 6.797 12.040 ( -3.337 -3.899 6.678) 8.422 12.158 ( -4.204 -1.412 -0.525) 4.466 12.214 ( -15.958 1.439 -7.716) 17.784 12.277 ( -2.695 0.071 4.888) 5.582 12.327 ( -8.616 0.477 1.855) 8.826 12.419 ( -3.525 -4.707 0.912) 5.951 12.540 ( -0.861 -5.598 -5.578) 7.949 12.645 ( 1.663 5.366 0.986) 5.703 12.658 ( -5.084 1.343 -1.816) 5.563 12.730 ( -5.648 -0.304 -3.473) 6.638 12.809 ( -4.018 4.400 -6.114) 8.538 12.906 ( -6.676 0.424 -2.757) 7.235 13.371 ( -2.112 0.194 2.146) 3.017 13.493 ( -5.756 -8.317 1.398) 10.211 13.576 ( 4.163 2.324 4.145) 6.318 13.628 ( -1.023 -6.146 5.691) 8.438 13.704 ( 1.141 1.979 -9.478) 9.750 13.835 ( 0.050 -5.386 -2.956) 6.144 14.000 ( 0.421 1.176 -4.958) 5.113 14.168 ( -6.466 2.172 1.089) 6.907 14.381 ( -6.502 6.342 6.985) 11.458 14.454 ( -7.505 1.626 -2.476) 8.069 14.821 ( 4.092 -2.759 0.702) 4.984 14.954 ( 2.319 3.144 -0.767) 3.981 15.173 ( 3.949 3.504 5.765) 7.817 15.318 ( 1.943 4.088 -0.279) 4.535 15.639 ( -0.711 -1.241 3.498) 3.779 15.730 ( 2.403 1.761 -5.625) 6.365 15.942 ( 1.646 -6.448 2.757) 7.203 16.020 ( 2.324 -4.273 -0.109) 4.866 16.555 ( 4.791 1.539 6.753) 8.422 16.693 ( 5.322 -2.448 1.826) 6.136 16.737 ( 6.666 1.777 -3.003) 7.524 16.842 ( 4.802 -0.683 -2.929) 5.666 20.404 ( 0.805 1.663 -0.800) 2.014 20.442 ( 0.160 1.982 0.028) 1.989 20.710 ( -5.603 -4.817 -4.714) 8.764 20.728 ( -4.845 -3.050 -1.553) 5.932 21.288 ( -0.343 4.935 2.837) 5.703 21.346 ( -0.388 3.277 -2.107) 3.915 21.501 ( -6.136 3.085 1.592) 7.050 21.597 ( -4.462 2.876 -5.073) 7.343 21.767 ( -3.599 3.966 4.193) 6.802 21.953 ( -2.127 14.877 -8.695) 17.362 22.148 ( 1.077 0.107 3.220) 3.397 22.225 ( 3.464 4.179 -0.038) 5.428 22.521 ( 1.379 -0.883 0.614) 1.749 22.582 ( -2.697 1.874 1.729) 3.711 23.151 ( 6.477 -12.047 3.332) 14.078 23.314 ( 3.158 -4.644 -1.222) 5.748 23.399 ( 2.297 0.607 0.475) 2.422 23.500 ( 2.072 -4.071 -2.565) 5.239 23.624 ( -0.578 -0.850 -3.211) 3.372 23.696 ( -5.478 -1.477 -3.994) 6.938 24.167 ( 7.801 2.117 11.541) 14.090 24.333 ( 7.772 -5.640 0.623) 9.623 24.985 ( 17.668 7.127 13.490) 23.344 25.338 ( 13.753 -1.002 -3.643) 14.263 25.831 ( -2.283 0.614 0.045) 2.364 25.845 ( -2.756 0.359 -0.544) 2.832 25.883 ( -5.066 -0.851 1.075) 5.248 26.023 ( -6.985 -5.613 -4.022) 9.822 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -0.447 10.622 7.692) 13.122 1.302 ( -1.360 -4.003 -7.525) 8.632 1.433 ( -2.783 12.180 10.155) 16.101 1.578 ( -0.951 -2.970 -2.850) 4.225 1.726 ( 1.280 -4.606 -4.512) 6.573 1.797 ( 2.076 -11.590 -9.782) 15.308 2.215 ( -0.324 0.105 0.351) 0.489 2.237 ( 2.433 -1.101 -1.655) 3.142 2.379 ( -0.824 4.469 0.702) 4.598 2.402 ( -1.824 9.161 -3.172) 9.865 2.444 ( -0.188 0.466 1.197) 1.298 2.485 ( 3.044 0.188 -1.834) 3.559 2.737 ( 0.427 3.528 5.822) 6.821 2.774 ( -0.852 -1.084 1.825) 2.287 2.846 ( -2.307 11.155 6.180) 12.959 2.864 ( 1.044 6.489 3.466) 7.431 2.983 ( 3.367 4.287 2.826) 6.140 3.006 ( 0.624 4.992 -2.603) 5.665 3.046 ( -1.567 -0.773 -0.472) 1.809 3.067 ( 0.814 -0.267 -0.572) 1.030 3.147 ( -0.546 -1.248 0.144) 1.369 3.177 ( -1.695 -2.857 -0.503) 3.360 3.258 ( -2.650 0.194 0.209) 2.666 3.302 ( -1.287 -3.817 -1.597) 4.333 3.346 ( -2.351 -1.248 0.017) 2.662 3.380 ( 3.827 1.818 -0.492) 4.266 3.409 ( 2.065 -4.343 3.284) 5.823 3.447 ( -1.392 -3.698 -1.104) 4.103 3.495 ( 1.864 2.858 4.527) 5.669 3.660 ( -1.094 -6.733 3.690) 7.756 3.799 ( 5.310 4.079 0.192) 6.698 3.847 ( -0.131 2.030 0.793) 2.183 3.881 ( -4.562 1.634 -2.363) 5.391 3.908 ( 0.736 5.867 -2.686) 6.494 4.007 ( 4.864 7.088 0.672) 8.623 4.079 ( -4.773 5.035 -2.668) 7.433 4.230 ( -1.879 -10.189 1.804) 10.517 4.267 ( 2.539 -1.439 1.971) 3.521 4.273 ( 0.077 -2.066 0.792) 2.214 4.315 ( -1.030 -9.320 -1.670) 9.524 4.511 ( -1.676 -2.846 -0.788) 3.396 4.540 ( 1.213 -1.051 1.628) 2.286 4.792 ( -1.640 3.706 7.332) 8.377 4.841 ( -2.927 -0.432 3.632) 4.684 4.875 ( 2.685 5.314 -2.573) 6.486 4.941 ( 0.122 1.915 -6.277) 6.564 4.989 ( -1.780 -4.470 -0.398) 4.828 5.011 ( 4.980 -1.004 0.709) 5.129 5.125 ( -2.643 -2.742 -2.384) 4.493 5.164 ( 2.334 -5.473 -1.018) 6.037 5.186 ( -0.125 -2.035 -3.988) 4.479 5.228 ( -0.310 -4.819 -6.998) 8.502 5.654 ( 0.576 0.496 0.095) 0.766 5.672 ( -0.545 -1.589 -1.236) 2.085 5.841 ( -1.046 2.966 3.162) 4.459 5.877 ( -0.212 -0.608 -0.588) 0.872 6.200 ( -2.410 3.248 5.044) 6.465 6.268 ( -1.889 -3.934 3.531) 5.614 6.279 ( 4.547 1.874 -1.900) 5.273 6.317 ( 2.745 -2.242 -0.650) 3.604 6.507 ( -2.837 4.056 -0.394) 4.965 6.555 ( -1.160 1.621 -3.259) 3.820 6.604 ( 0.455 0.249 0.888) 1.028 6.691 ( 4.386 -5.760 -6.472) 9.711 6.885 ( -5.269 5.569 1.128) 7.749 6.911 ( 5.750 5.364 -1.858) 8.080 6.977 ( -5.194 -2.739 2.251) 6.289 7.021 ( 4.236 -4.800 -2.362) 6.824 7.347 ( -4.007 6.164 5.224) 9.019 7.409 ( -1.690 1.658 -0.300) 2.386 7.520 ( 0.521 7.954 -0.167) 7.973 7.544 ( 1.020 7.802 -2.958) 8.406 7.622 ( 0.127 -4.584 2.736) 5.340 7.685 ( 0.375 -3.096 -3.224) 4.486 7.741 ( -4.618 -4.421 4.713) 7.943 7.830 ( 3.733 -6.285 -4.160) 8.411 7.978 ( -8.234 1.842 5.462) 10.051 8.042 ( -1.326 -2.741 4.138) 5.138 8.052 ( 5.684 -1.566 1.341) 6.046 8.152 ( 3.500 -8.616 -4.673) 10.408 8.711 ( -0.739 5.421 4.052) 6.808 8.767 ( 2.427 1.371 0.103) 2.790 8.797 ( -2.128 4.042 -0.480) 4.593 8.828 ( 1.602 2.424 -2.196) 3.642 9.025 ( -3.270 -0.139 2.337) 4.021 9.033 ( -3.020 -1.054 2.371) 3.982 9.167 ( 2.952 0.289 0.269) 2.978 9.188 ( 4.384 -1.907 -1.831) 5.119 9.404 ( 2.622 4.817 0.583) 5.515 9.442 ( -3.084 1.411 -1.779) 3.830 9.572 ( 5.686 3.170 1.272) 6.633 9.613 ( 0.731 -0.572 -2.039) 2.240 9.689 ( -2.611 1.694 5.622) 6.426 9.718 ( -0.663 -1.740 1.145) 2.186 9.736 ( -6.931 3.378 -2.178) 8.012 9.784 ( -4.361 -1.683 -3.972) 6.135 9.982 ( -0.904 6.872 4.032) 8.019 10.004 ( 5.569 2.971 1.229) 6.431 10.077 ( 0.642 -1.604 0.514) 1.802 10.109 ( -2.688 1.982 -1.301) 3.584 10.190 ( -1.645 -1.650 4.394) 4.974 10.315 ( 2.155 -6.344 3.669) 7.639 10.430 ( -0.015 1.962 -4.794) 5.180 10.610 ( -5.578 -9.022 -10.967) 15.257 10.790 ( -1.731 3.361 3.396) 5.082 10.845 ( 1.470 1.784 -0.854) 2.464 10.913 ( -6.971 -3.187 4.516) 8.896 10.956 ( -4.911 -3.160 0.531) 5.864 11.121 ( 8.158 -2.674 -1.962) 8.806 11.127 ( 8.861 -2.230 -3.521) 9.792 11.322 ( 1.446 3.563 3.813) 5.416 11.404 ( -1.323 -4.147 4.190) 6.042 11.433 ( -0.992 3.192 -4.022) 5.230 11.503 ( 1.178 -2.864 -3.633) 4.773 11.713 ( 2.590 1.935 -1.557) 3.588 11.727 ( 0.937 0.732 -2.873) 3.109 11.929 ( 4.382 1.333 0.712) 4.636 11.963 ( 2.816 0.063 0.713) 2.905 11.990 ( -4.182 2.957 -2.088) 5.531 12.035 ( -0.663 0.671 -2.651) 2.814 12.150 ( -0.575 -4.397 0.159) 4.437 12.170 ( 2.615 -2.006 0.318) 3.311 12.175 ( 1.968 -2.174 -0.999) 3.098 12.192 ( -5.369 -5.512 -2.296) 8.030 12.513 ( 1.206 0.023 3.573) 3.771 12.552 ( -0.714 -3.928 0.082) 3.993 12.648 ( -1.565 0.570 -1.468) 2.220 12.656 ( -1.166 -0.215 -2.264) 2.556 12.929 ( 1.155 8.910 -0.429) 8.995 12.963 ( 1.258 8.716 -3.596) 9.512 13.262 ( -1.266 -4.448 0.916) 4.714 13.343 ( 2.683 -9.354 -6.574) 11.744 13.592 ( -2.949 2.420 7.825) 8.705 13.620 ( 0.598 -1.462 6.223) 6.420 13.777 ( 3.791 2.086 -5.349) 6.880 13.801 ( 2.496 0.406 -6.897) 7.346 14.034 ( -1.405 0.365 -0.223) 1.468 14.054 ( 1.958 -1.793 -2.737) 3.813 14.363 ( -2.060 0.000 1.561) 2.585 14.366 ( -2.439 -0.341 1.449) 2.857 14.968 ( 0.699 6.238 6.571) 9.087 15.035 ( -0.085 0.739 0.845) 1.126 15.290 ( 0.131 2.254 2.712) 3.529 15.338 ( -1.391 -1.389 -1.325) 2.370 15.654 ( -2.506 3.190 6.388) 7.567 15.733 ( -0.538 -3.542 1.269) 3.801 15.879 ( -0.247 0.702 0.118) 0.753 15.951 ( 1.570 -5.332 -4.839) 7.369 16.681 ( -0.249 2.353 5.775) 6.240 16.725 ( 0.218 -2.226 3.335) 4.016 16.825 ( 0.524 1.682 -3.308) 3.748 16.852 ( 0.104 -1.151 -4.090) 4.250 20.463 ( 1.004 1.854 -0.024) 2.108 20.477 ( 0.711 0.761 -1.523) 1.845 20.603 ( -0.838 -0.484 0.318) 1.019 20.617 ( -1.525 -1.761 -1.127) 2.588 21.370 ( -0.853 3.455 1.918) 4.042 21.397 ( 1.150 1.468 -0.713) 1.996 21.483 ( -0.467 0.588 1.469) 1.650 21.516 ( -0.066 -2.159 -1.725) 2.764 21.964 ( 2.175 11.948 7.191) 14.114 22.087 ( -0.043 3.312 -1.852) 3.795 22.194 ( -1.137 3.843 -0.248) 4.016 22.274 ( -1.492 -1.221 -4.638) 5.022 22.574 ( 0.033 2.502 0.874) 2.650 22.592 ( -0.162 2.585 -1.488) 2.987 23.032 ( 0.881 -7.203 1.581) 7.426 23.115 ( -0.359 -12.699 -6.890) 14.453 23.462 ( 1.816 1.380 1.672) 2.828 23.486 ( 2.298 -0.913 -0.067) 2.474 23.562 ( -1.518 0.022 -3.088) 3.441 23.576 ( -1.961 -1.236 -3.722) 4.385 24.326 ( -0.377 1.371 5.476) 5.657 24.362 ( 0.849 -2.641 2.018) 3.430 25.315 ( 0.899 3.132 5.446) 6.346 25.393 ( -0.058 -4.540 -2.908) 5.392 25.820 ( -0.241 0.543 0.222) 0.634 25.824 ( 0.089 0.355 -0.172) 0.404 25.835 ( -1.510 -0.592 0.250) 1.641 25.838 ( 1.030 -0.819 -0.117) 1.321 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 3.984 8.970 7.557) 12.387 1.333 ( 10.155 4.738 -3.668) 11.791 1.588 ( 4.334 -2.783 11.369) 12.481 1.653 ( 8.326 -1.495 1.478) 8.588 1.789 ( 11.630 -0.800 -7.006) 13.600 1.822 ( 8.642 -6.777 -7.705) 13.416 2.225 ( -0.290 -1.396 -0.900) 1.686 2.278 ( 2.512 -4.331 -5.204) 7.222 2.300 ( -0.464 8.313 2.865) 8.806 2.416 ( 2.734 4.900 -0.145) 5.614 2.468 ( 1.257 -1.051 1.603) 2.293 2.536 ( 2.042 0.081 -2.792) 3.460 2.762 ( -0.077 4.940 1.207) 5.086 2.810 ( -4.677 2.111 0.328) 5.141 2.840 ( 0.336 0.393 2.019) 2.084 2.859 ( 3.093 2.212 -0.521) 3.838 2.938 ( -6.024 5.309 -1.165) 8.114 2.982 ( -2.451 4.597 -1.189) 5.344 3.033 ( 3.231 0.608 0.737) 3.370 3.056 ( -8.500 -4.796 0.396) 9.767 3.166 ( 4.025 -1.670 -0.574) 4.395 3.176 ( 0.055 -4.201 4.046) 5.833 3.302 ( 6.209 -0.747 1.142) 6.357 3.320 ( 3.708 -1.942 1.777) 4.547 3.364 ( 0.384 -0.307 -0.967) 1.085 3.375 ( -0.430 -2.695 -0.484) 2.772 3.478 ( 6.877 1.854 -2.971) 7.717 3.517 ( 4.796 4.569 8.521) 10.793 3.589 ( 3.488 3.553 2.445) 5.547 3.692 ( 6.148 4.433 -6.714) 10.125 3.763 ( -2.546 0.957 -2.919) 3.990 3.822 ( 1.290 4.263 0.653) 4.501 3.914 ( 0.904 9.390 -2.156) 9.676 3.950 ( 5.219 0.525 1.460) 5.445 4.010 ( 0.127 4.293 -3.580) 5.592 4.144 ( 5.049 3.432 5.141) 7.981 4.203 ( -0.321 -10.324 5.177) 11.553 4.279 ( 3.447 -0.572 -2.019) 4.036 4.337 ( 3.313 -4.995 -0.995) 6.075 4.387 ( 7.662 -14.358 -4.542) 16.896 4.548 ( 3.499 5.631 5.005) 8.306 4.650 ( 5.770 -3.857 3.250) 7.664 4.716 ( -7.099 7.336 -2.126) 10.428 4.829 ( -4.604 -3.603 2.942) 6.545 4.854 ( -0.281 5.229 1.261) 5.387 4.909 ( -1.560 -1.576 -0.558) 2.287 4.925 ( -4.498 -1.778 -3.753) 6.123 5.032 ( -2.007 -13.331 -3.415) 13.907 5.123 ( 2.192 2.184 2.516) 3.988 5.178 ( 4.509 -2.389 -0.023) 5.103 5.198 ( 1.776 -0.651 -4.108) 4.523 5.236 ( 3.408 -4.381 -3.706) 6.674 5.583 ( -5.869 3.024 -0.250) 6.607 5.656 ( -1.058 -3.631 1.056) 3.926 5.784 ( -4.990 4.379 2.305) 7.028 5.850 ( -2.915 -1.507 -0.464) 3.314 6.121 ( -7.213 3.463 -0.270) 8.006 6.188 ( -5.311 -2.895 -0.478) 6.068 6.262 ( -5.379 2.491 -0.925) 5.999 6.306 ( -5.599 -1.827 1.130) 5.997 6.423 ( -3.926 5.530 3.691) 7.721 6.530 ( -3.481 -5.006 4.088) 7.341 6.551 ( -6.935 3.011 -4.771) 8.940 6.627 ( -6.442 -3.756 -6.967) 10.205 6.826 ( 0.992 9.433 1.401) 9.587 6.953 ( -0.705 -1.062 -0.927) 1.577 7.053 ( 5.928 -1.284 1.436) 6.233 7.092 ( 2.713 -3.007 -0.898) 4.149 7.296 ( 0.340 7.952 3.690) 8.773 7.395 ( -0.570 -0.308 2.987) 3.057 7.451 ( -4.518 10.064 -3.492) 11.571 7.578 ( 3.453 7.148 0.236) 7.942 7.630 ( -2.385 -7.069 -2.747) 7.950 7.699 ( 1.811 -7.178 1.715) 7.599 7.803 ( 7.235 0.092 2.872) 7.784 7.851 ( -5.192 2.976 6.117) 8.557 7.908 ( 5.846 -7.267 -0.488) 9.339 7.956 ( -4.710 -7.767 1.449) 9.198 8.215 ( 7.159 -0.309 -0.422) 7.178 8.256 ( 5.391 -3.065 -0.749) 6.247 8.635 ( -6.771 2.737 2.124) 7.606 8.667 ( -5.575 -0.657 -3.268) 6.495 8.825 ( -0.949 5.593 0.813) 5.731 8.861 ( 0.671 4.155 -2.250) 4.773 8.950 ( -5.842 0.762 3.512) 6.859 8.973 ( -6.154 -2.385 1.599) 6.791 9.189 ( 3.704 3.802 -2.078) 5.701 9.256 ( 5.134 -3.562 -2.682) 6.800 9.347 ( -7.805 0.588 2.317) 8.163 9.384 ( -7.424 -0.982 -0.571) 7.511 9.458 ( -4.113 -0.580 -1.457) 4.402 9.475 ( -7.355 -1.153 -2.759) 7.940 9.668 ( 1.832 5.462 1.189) 5.883 9.747 ( 2.405 -2.179 1.126) 3.435 9.804 ( 2.324 2.615 4.346) 5.579 9.834 ( 3.747 0.016 7.156) 8.077 9.969 ( -0.365 10.947 -0.064) 10.954 10.096 ( 2.385 5.077 0.685) 5.651 10.135 ( 4.362 2.602 -2.775) 5.787 10.150 ( 1.531 -4.937 -3.611) 6.306 10.222 ( 0.859 2.591 6.776) 7.305 10.330 ( 2.270 6.281 -2.253) 7.049 10.412 ( -4.257 -8.782 -5.034) 10.981 10.479 ( -2.476 -8.954 7.904) 12.197 10.763 ( -5.464 2.721 3.373) 6.974 10.791 ( -0.707 -0.826 6.654) 6.742 10.888 ( 0.508 -3.160 0.940) 3.336 10.916 ( 1.147 -5.138 -3.245) 6.185 11.227 ( 7.196 1.122 -8.096) 10.890 11.293 ( -0.403 -0.207 1.938) 1.990 11.329 ( -3.358 -0.324 -7.164) 7.919 11.398 ( -3.981 -1.437 -0.738) 4.296 11.478 ( 9.255 0.491 1.518) 9.391 11.510 ( 2.876 -0.744 1.756) 3.451 11.681 ( -5.080 0.141 -4.640) 6.882 11.684 ( 1.924 -1.256 -3.861) 4.493 11.880 ( -1.825 5.702 -2.137) 6.357 11.931 ( 2.824 1.647 -2.502) 4.116 12.001 ( 2.101 -4.311 2.381) 5.354 12.055 ( -0.077 -9.731 -2.918) 10.159 12.188 ( 10.426 3.219 1.384) 10.999 12.248 ( 8.576 -3.486 0.409) 9.267 12.294 ( 7.931 -0.269 -1.237) 8.031 12.333 ( 7.322 -4.224 -1.153) 8.531 12.550 ( 2.197 1.682 -1.344) 3.076 12.586 ( 2.444 -2.214 3.562) 4.854 12.649 ( 1.385 0.782 2.127) 2.656 12.680 ( 4.464 -1.841 -0.395) 4.845 12.962 ( 3.014 11.147 -2.740) 11.867 12.989 ( 4.433 8.425 -2.164) 9.763 13.275 ( 1.807 -8.072 2.498) 8.641 13.343 ( 1.993 -12.834 -7.345) 14.921 13.587 ( -1.542 5.036 4.917) 7.206 13.659 ( -1.306 -2.598 3.875) 4.845 13.772 ( 1.252 2.085 -8.300) 8.649 13.816 ( 4.924 -1.285 -6.787) 8.483 14.029 ( 2.725 6.401 -1.736) 7.170 14.145 ( 7.148 -5.024 -1.031) 8.798 14.410 ( 4.824 0.744 4.914) 6.926 14.426 ( 5.812 -1.015 4.647) 7.510 14.942 ( -6.897 5.556 0.363) 8.864 14.981 ( -5.183 1.781 0.275) 5.487 15.284 ( -2.979 1.141 -0.885) 3.310 15.300 ( -1.937 -0.124 3.717) 4.193 15.633 ( -4.225 2.726 6.920) 8.554 15.698 ( -3.836 -2.876 1.425) 5.001 15.873 ( -0.312 1.230 -0.138) 1.276 15.946 ( 0.947 -5.690 -3.928) 6.979 16.656 ( -5.827 2.182 4.633) 7.758 16.690 ( -4.632 -0.998 -0.632) 4.780 16.757 ( -5.800 0.052 -0.493) 5.821 16.769 ( -5.605 -0.840 -4.108) 7.000 20.446 ( -1.322 2.172 -1.160) 2.795 20.471 ( -0.342 -0.154 -1.518) 1.564 20.619 ( 1.505 -0.188 1.748) 2.314 20.646 ( 3.217 -2.604 1.572) 4.427 21.379 ( 1.145 3.952 1.272) 4.307 21.419 ( 2.210 1.154 -1.666) 2.998 21.527 ( 3.930 0.541 1.637) 4.292 21.558 ( 5.189 -1.127 -0.262) 5.316 22.018 ( -2.029 10.085 -6.705) 12.280 22.058 ( 1.952 9.260 4.557) 10.503 22.201 ( -1.693 -0.209 0.163) 1.713 22.233 ( 0.545 -0.583 2.852) 2.962 22.551 ( -1.611 3.624 -0.379) 3.984 22.608 ( 1.490 -0.486 0.475) 1.638 23.014 ( -4.157 -8.762 -0.635) 9.719 23.048 ( -2.757 -11.628 -1.981) 12.113 23.447 ( -2.017 1.300 -2.632) 3.562 23.475 ( -1.512 -1.562 -3.555) 4.167 23.579 ( 3.509 1.530 1.236) 4.022 23.611 ( 4.943 -1.580 1.535) 5.411 24.274 ( -6.963 1.568 3.067) 7.769 24.309 ( -5.750 -1.999 -0.314) 6.095 25.214 ( -13.017 2.059 0.476) 13.188 25.243 ( -13.278 -0.976 -0.796) 13.338 25.849 ( 2.881 0.930 0.365) 3.049 25.853 ( 2.908 1.240 -0.244) 3.170 25.877 ( 5.184 -1.223 -0.346) 5.338 25.903 ( 4.376 -3.002 0.559) 5.336 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 4.973 9.496 9.056) 14.033 1.571 ( 7.239 12.887 -1.711) 14.879 1.579 ( 5.941 -9.311 0.275) 11.049 1.840 ( 8.417 -14.156 0.070) 16.469 2.036 ( 14.580 7.967 0.032) 16.615 2.056 ( 14.847 5.566 -2.446) 16.044 2.241 ( 2.351 -6.277 3.251) 7.450 2.281 ( 4.724 -9.428 -6.635) 12.460 2.384 ( 4.143 8.211 3.660) 9.899 2.463 ( 2.220 4.059 0.185) 4.630 2.527 ( 0.158 -1.397 -0.215) 1.422 2.566 ( 5.865 -4.735 2.118) 7.830 2.721 ( -7.490 3.856 2.328) 8.740 2.738 ( -3.651 1.977 2.094) 4.651 2.770 ( -6.881 -2.189 3.687) 8.107 2.787 ( -7.278 0.862 1.141) 7.417 2.858 ( -2.678 -2.786 -1.702) 4.223 2.872 ( -2.791 -4.014 -2.754) 5.611 3.077 ( 5.452 5.830 2.674) 8.418 3.152 ( 4.431 0.133 -3.946) 5.935 3.190 ( -1.139 -0.583 3.998) 4.197 3.227 ( 1.634 -1.898 -2.709) 3.689 3.319 ( 1.144 0.487 -1.863) 2.239 3.359 ( 3.285 -4.286 1.447) 5.591 3.420 ( 3.719 2.782 4.926) 6.770 3.486 ( 6.769 -3.093 1.270) 7.549 3.570 ( 2.727 1.811 -3.551) 4.830 3.600 ( 1.858 -0.534 -6.359) 6.646 3.687 ( 7.888 3.744 3.224) 9.308 3.697 ( 0.108 2.148 -0.057) 2.151 3.780 ( 7.556 11.631 -9.174) 16.629 3.886 ( 0.319 -0.522 -0.768) 0.982 3.973 ( 5.355 3.175 -3.856) 7.323 4.017 ( 0.571 -1.710 -1.577) 2.395 4.102 ( 11.210 13.506 11.472) 20.969 4.172 ( -1.251 11.225 0.863) 11.328 4.315 ( 3.308 0.486 2.813) 4.369 4.342 ( 3.930 -6.536 -6.142) 9.792 4.412 ( 6.244 -3.482 -0.450) 7.163 4.484 ( 0.148 -13.534 1.106) 13.580 4.544 ( -4.614 4.598 1.379) 6.658 4.649 ( 0.976 0.432 1.560) 1.890 4.702 ( -4.522 0.082 1.122) 4.660 4.714 ( -3.227 -6.934 0.896) 7.701 4.795 ( -3.043 1.838 -7.485) 8.287 4.864 ( -1.137 -1.626 -2.596) 3.267 4.938 ( 6.351 -0.404 0.372) 6.374 5.017 ( 0.999 -7.772 -2.921) 8.363 5.098 ( -3.407 -1.187 3.326) 4.907 5.138 ( -4.407 -4.962 7.829) 10.263 5.341 ( 8.085 2.111 -0.295) 8.361 5.368 ( 8.142 -0.812 1.053) 8.250 5.521 ( 1.826 5.507 0.608) 5.833 5.642 ( -1.131 -6.452 0.213) 6.554 5.740 ( -2.502 3.346 1.631) 4.485 5.767 ( -5.018 0.370 -1.512) 5.254 5.983 ( -4.672 6.843 -1.686) 8.456 6.067 ( -10.722 4.717 -1.023) 11.758 6.109 ( -5.483 -3.865 -0.109) 6.709 6.127 ( -11.691 -2.341 0.064) 11.923 6.359 ( -6.994 4.407 -6.827) 10.722 6.389 ( -8.047 3.325 2.089) 8.954 6.450 ( -5.596 -2.807 -2.088) 6.599 6.485 ( -5.551 -3.556 4.762) 8.132 6.827 ( -2.606 8.433 -0.002) 8.826 6.883 ( -3.498 3.287 -0.131) 4.802 7.080 ( -1.089 0.539 2.387) 2.678 7.120 ( -1.404 -3.959 2.188) 4.736 7.322 ( -2.080 5.522 -1.634) 6.123 7.391 ( 3.137 2.106 -0.993) 3.906 7.467 ( -0.003 -3.040 -3.478) 4.619 7.550 ( 1.866 -6.846 0.740) 7.134 7.677 ( 4.421 3.823 2.695) 6.436 7.755 ( 3.083 -2.368 2.662) 4.712 7.913 ( 5.345 -2.461 5.648) 8.157 7.927 ( 1.983 -1.241 -1.379) 2.715 7.960 ( 5.004 -1.055 5.976) 7.866 8.015 ( 5.112 -4.329 0.506) 6.718 8.277 ( 0.073 0.600 -1.037) 1.200 8.295 ( -0.792 -0.933 0.675) 1.397 8.525 ( -4.854 0.634 -0.958) 4.988 8.560 ( -2.585 -2.923 -5.064) 6.393 8.763 ( -4.616 4.444 -1.195) 6.518 8.797 ( -4.548 1.888 -4.091) 6.402 8.886 ( -3.877 1.388 4.582) 6.161 8.896 ( -1.772 1.217 2.404) 3.225 9.209 ( -3.156 0.363 3.861) 5.000 9.247 ( -2.167 -1.492 -0.894) 2.778 9.294 ( -0.795 -1.773 -1.202) 2.285 9.324 ( -0.581 -2.382 -1.793) 3.038 9.400 ( 1.866 2.433 -1.069) 3.247 9.451 ( 3.040 -1.982 -0.708) 3.697 9.695 ( -0.149 6.388 2.024) 6.703 9.797 ( 3.188 -1.324 1.061) 3.611 9.865 ( 0.046 3.413 6.304) 7.169 9.921 ( 0.828 -2.120 3.773) 4.407 9.981 ( 2.215 5.148 -1.427) 5.783 10.075 ( -1.898 -1.810 -2.736) 3.790 10.131 ( -0.717 6.355 -2.504) 6.868 10.155 ( -0.940 4.788 2.112) 5.317 10.255 ( 3.375 -1.040 -1.423) 3.808 10.308 ( -3.711 -5.478 3.469) 7.471 10.445 ( 3.419 1.216 2.702) 4.524 10.491 ( 2.256 -4.798 -0.308) 5.311 10.701 ( -3.139 5.947 0.769) 6.769 10.856 ( -0.552 -8.917 1.550) 9.067 10.901 ( 2.376 3.779 2.988) 5.371 10.930 ( 0.807 -0.992 3.972) 4.173 11.142 ( -10.664 4.571 0.713) 11.625 11.190 ( -7.593 -0.094 -4.524) 8.839 11.285 ( 1.234 -4.616 -4.207) 6.366 11.288 ( -4.492 -5.528 -5.575) 9.046 11.433 ( -8.043 0.937 -5.412) 9.740 11.442 ( -4.909 0.746 -1.309) 5.135 11.772 ( 7.220 3.858 0.291) 8.191 11.866 ( 5.801 1.678 -0.360) 6.050 11.893 ( 7.025 -2.759 2.113) 7.838 12.004 ( 4.241 -7.634 -1.116) 8.804 12.027 ( 5.123 3.124 -1.330) 6.146 12.118 ( 6.200 -6.720 -0.178) 9.145 12.351 ( 4.705 -0.141 -3.072) 5.621 12.376 ( 5.502 -3.380 -1.254) 6.578 12.448 ( 9.338 1.552 1.657) 9.610 12.489 ( 8.605 -2.458 1.242) 9.035 12.602 ( 3.316 1.522 0.064) 3.649 12.627 ( -0.823 -1.771 4.156) 4.592 12.701 ( 4.074 4.046 -0.841) 5.803 12.788 ( 6.483 -4.671 -1.357) 8.105 13.027 ( 6.902 11.318 -2.352) 13.464 13.107 ( 7.841 7.400 1.788) 10.929 13.320 ( 1.636 -9.989 -2.445) 10.413 13.357 ( 4.003 -10.080 -1.000) 10.892 13.597 ( -0.176 -0.790 2.072) 2.225 13.617 ( -3.673 -3.319 0.261) 4.957 13.773 ( 4.869 7.239 -6.650) 10.970 13.907 ( 7.525 -6.529 -2.730) 10.330 14.083 ( 4.463 10.414 -3.726) 11.927 14.245 ( 3.246 -6.394 -1.964) 7.435 14.562 ( 3.155 2.592 6.879) 7.999 14.594 ( 5.927 -1.151 5.089) 7.896 14.764 ( -5.503 4.640 -6.182) 9.489 14.835 ( -8.577 -2.419 -2.544) 9.268 15.224 ( -3.337 4.359 1.255) 5.631 15.268 ( -4.098 -0.007 3.873) 5.638 15.600 ( -4.396 1.387 8.004) 9.236 15.638 ( -3.669 -2.220 3.593) 5.595 15.866 ( -0.082 2.075 -0.895) 2.261 15.931 ( 0.100 -4.722 -3.704) 6.002 16.546 ( -7.898 2.262 2.879) 8.705 16.570 ( -5.300 0.584 -4.609) 7.048 16.623 ( -6.193 -1.029 -3.238) 7.064 16.639 ( -7.174 -2.636 2.034) 7.909 20.427 ( -0.176 2.076 -0.035) 2.084 20.459 ( 0.078 -0.964 -0.816) 1.265 20.661 ( 0.937 0.107 2.803) 2.957 20.709 ( 2.104 -4.582 1.165) 5.175 21.440 ( 4.518 4.218 1.436) 6.345 21.474 ( 5.079 2.435 -1.410) 5.806 21.634 ( 5.685 1.493 1.722) 6.125 21.683 ( 7.498 -1.658 0.398) 7.689 21.949 ( -1.883 6.782 -3.586) 7.900 22.032 ( -3.964 -0.190 -1.603) 4.280 22.232 ( 1.529 5.535 2.469) 6.251 22.243 ( -1.061 4.164 2.232) 4.842 22.523 ( -0.909 4.533 0.059) 4.623 22.659 ( 3.633 -4.448 1.620) 5.967 22.890 ( -6.731 -4.655 -3.729) 8.994 22.974 ( -5.825 -11.498 2.287) 13.091 23.400 ( -1.000 1.002 -2.101) 2.533 23.430 ( -0.857 -1.994 -2.626) 3.407 23.643 ( 1.583 3.326 0.291) 3.695 23.706 ( 2.998 -3.533 0.446) 4.655 24.172 ( -3.272 2.890 0.533) 4.398 24.217 ( -1.752 -1.728 -0.624) 2.539 24.903 ( -17.014 3.763 -4.286) 17.944 24.944 ( -18.520 -0.644 2.459) 18.693 25.906 ( 2.651 1.539 0.712) 3.147 25.915 ( 3.350 1.019 -0.411) 3.525 25.975 ( 4.637 -2.309 -0.086) 5.181 25.984 ( 3.818 -3.036 0.118) 4.879 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.897 2.619 6.061) 6.664 1.540 ( -0.684 -1.990 1.879) 2.821 1.877 ( 13.674 5.458 0.600) 14.735 1.997 ( 4.369 -6.375 1.362) 7.848 2.203 ( 8.421 3.527 -5.527) 10.672 2.232 ( -2.991 0.809 -0.867) 3.217 2.257 ( 6.112 3.502 -0.093) 7.045 2.348 ( -1.911 -4.986 -1.504) 5.547 2.466 ( -3.259 1.863 3.040) 4.830 2.477 ( 0.533 1.908 3.007) 3.601 2.586 ( 2.841 1.300 5.030) 5.922 2.599 ( -2.933 1.077 1.388) 3.419 2.632 ( 0.761 -3.425 3.259) 4.789 2.672 ( 3.024 -7.312 2.635) 8.340 2.743 ( 2.556 0.652 4.739) 5.424 2.782 ( -0.271 -2.941 5.623) 6.352 2.862 ( 2.875 -1.758 -7.264) 8.007 2.868 ( 3.844 -2.669 -2.869) 5.489 3.081 ( -3.643 0.707 -3.400) 5.033 3.093 ( -5.314 -1.263 -4.232) 6.909 3.176 ( 0.115 3.691 4.608) 5.905 3.246 ( 0.757 -3.032 3.918) 5.012 3.375 ( 0.760 5.089 1.667) 5.409 3.421 ( -2.953 4.947 -5.014) 7.637 3.474 ( 2.776 -3.835 2.581) 5.392 3.512 ( 0.332 -3.105 -3.802) 4.920 3.610 ( 3.433 2.342 -1.766) 4.515 3.660 ( 5.010 -2.622 -4.930) 7.502 3.748 ( 2.820 5.112 1.492) 6.026 3.797 ( 1.755 4.168 -3.953) 6.006 3.837 ( -1.304 2.466 3.343) 4.354 3.904 ( 5.924 -1.386 0.324) 6.092 4.032 ( 3.502 5.028 -1.125) 6.229 4.048 ( 2.709 2.505 -1.345) 3.927 4.142 ( -1.664 4.708 2.628) 5.643 4.232 ( -11.302 -0.722 -3.882) 11.972 4.279 ( -5.360 2.517 -1.928) 6.228 4.301 ( 1.385 6.138 0.414) 6.306 4.453 ( 2.849 3.573 -4.586) 6.474 4.503 ( 2.808 -2.514 1.695) 4.133 4.566 ( 1.835 -1.654 3.054) 3.928 4.604 ( -2.033 -2.842 -1.655) 3.867 4.627 ( -2.169 -0.380 4.339) 4.866 4.680 ( -3.669 -5.089 2.658) 6.813 4.845 ( 4.343 0.016 -2.660) 5.093 4.880 ( 5.290 -3.660 -2.015) 6.741 4.970 ( 0.453 0.648 -2.399) 2.526 5.031 ( -1.052 -5.206 -0.304) 5.320 5.148 ( 7.710 3.480 5.364) 10.016 5.225 ( 7.123 -4.579 6.577) 10.722 5.375 ( -0.669 4.450 -2.312) 5.059 5.426 ( -3.259 -1.495 -1.636) 3.941 5.623 ( -2.938 2.291 1.700) 4.095 5.633 ( -5.324 1.591 0.119) 5.558 5.690 ( 6.941 0.830 1.316) 7.113 5.728 ( 5.891 -3.132 2.584) 7.154 5.878 ( -4.346 2.079 -2.073) 5.244 5.894 ( -6.818 0.641 -1.831) 7.089 6.026 ( 0.085 5.439 -2.351) 5.926 6.060 ( 1.643 1.682 0.623) 2.433 6.150 ( -11.485 0.778 -3.730) 12.100 6.233 ( -6.201 -6.202 -4.366) 9.797 6.357 ( -3.256 4.184 2.869) 6.029 6.403 ( -5.068 -1.049 1.986) 5.543 6.791 ( -0.268 10.971 1.590) 11.089 6.849 ( -0.858 6.482 -0.922) 6.603 7.069 ( -1.049 -4.804 2.510) 5.521 7.121 ( 0.705 -8.911 -1.674) 9.094 7.322 ( 0.642 0.211 1.809) 1.932 7.343 ( -1.262 -1.827 -0.003) 2.221 7.519 ( 3.272 1.991 -0.359) 3.847 7.563 ( -1.799 -2.375 1.276) 3.241 7.752 ( 1.652 1.271 2.180) 3.016 7.809 ( 0.433 -3.054 -0.122) 3.086 7.938 ( -0.385 -2.136 -0.494) 2.226 7.972 ( -0.215 -5.074 -2.414) 5.623 8.118 ( 6.776 2.273 5.397) 8.956 8.165 ( 8.140 -2.304 3.871) 9.304 8.228 ( -3.569 2.634 -0.642) 4.482 8.262 ( -3.276 -1.267 1.937) 4.012 8.458 ( -3.287 1.650 3.320) 4.955 8.514 ( 0.310 -3.975 -2.430) 4.669 8.656 ( -5.746 2.785 -1.052) 6.471 8.683 ( -3.568 0.028 -5.029) 6.167 8.880 ( 0.109 3.236 4.414) 5.474 8.919 ( 2.418 0.021 0.492) 2.468 9.214 ( 0.487 2.750 4.135) 4.990 9.239 ( 2.186 1.195 -1.337) 2.827 9.280 ( 0.039 -1.873 -1.608) 2.469 9.298 ( -0.654 -2.278 1.166) 2.641 9.412 ( -0.235 0.179 -5.203) 5.212 9.439 ( -2.255 -2.310 -5.116) 6.049 9.711 ( -0.343 7.591 3.907) 8.544 9.843 ( 0.590 -3.279 -2.203) 3.994 9.904 ( -0.657 1.988 5.105) 5.518 9.938 ( 0.826 0.088 6.881) 6.931 10.017 ( 1.448 3.039 -0.744) 3.447 10.045 ( 1.719 -0.056 -4.048) 4.398 10.146 ( -0.765 4.699 3.335) 5.812 10.202 ( 4.469 2.104 3.739) 6.195 10.268 ( -2.047 -1.795 1.433) 3.077 10.283 ( -0.214 -8.755 1.546) 8.893 10.447 ( -1.721 2.969 -1.801) 3.876 10.524 ( -0.013 -4.466 -5.539) 7.115 10.709 ( 5.803 9.147 0.033) 10.833 10.865 ( -4.081 0.779 1.319) 4.359 10.901 ( -0.913 -2.015 1.904) 2.919 10.975 ( 0.055 -0.999 3.682) 3.815 11.020 ( -2.732 -2.284 1.745) 3.966 11.039 ( -4.393 -1.168 0.918) 4.638 11.185 ( -2.672 -0.549 -5.872) 6.474 11.240 ( -2.043 -0.836 -9.840) 10.085 11.292 ( 1.132 3.320 -1.251) 3.724 11.374 ( -4.182 -4.815 0.760) 6.422 11.766 ( -1.823 2.399 -0.052) 3.014 11.860 ( -3.298 -6.810 -3.902) 8.514 12.013 ( 2.242 6.647 5.848) 9.133 12.105 ( 4.918 3.722 -3.796) 7.242 12.170 ( 4.601 -7.449 3.470) 9.418 12.217 ( 3.922 -8.015 -1.558) 9.058 12.415 ( 3.925 1.750 0.900) 4.390 12.449 ( 3.881 -2.938 -1.472) 5.085 12.525 ( 0.189 0.485 -1.071) 1.191 12.570 ( -1.094 -3.625 -0.647) 3.841 12.652 ( 3.234 3.947 1.237) 5.250 12.705 ( 3.469 1.841 -0.658) 3.982 12.758 ( 3.332 -0.147 0.013) 3.335 12.853 ( -0.081 -6.164 -1.343) 6.309 13.185 ( 8.605 8.797 2.372) 12.532 13.262 ( 5.286 7.474 3.428) 9.775 13.374 ( 5.507 -7.101 -1.042) 9.047 13.417 ( 1.702 -4.328 0.011) 4.651 13.536 ( -2.089 3.085 -3.444) 5.074 13.621 ( 2.485 -2.561 -7.229) 8.062 13.872 ( 7.179 4.232 1.337) 8.440 13.980 ( -0.160 -2.686 0.050) 2.692 14.182 ( 9.423 1.238 -2.418) 9.807 14.240 ( -0.984 -3.827 -0.562) 3.991 14.397 ( -13.111 2.678 -2.546) 13.621 14.489 ( -14.486 -6.425 -4.043) 16.355 14.822 ( 3.837 2.484 3.162) 5.558 14.853 ( 6.941 -0.688 -1.002) 7.046 15.188 ( -0.986 3.769 2.102) 4.427 15.213 ( -3.268 1.141 2.476) 4.255 15.582 ( -3.444 1.605 9.449) 10.184 15.619 ( -1.706 -2.192 5.586) 6.239 15.860 ( 0.502 2.057 -1.954) 2.882 15.906 ( 0.509 -2.818 -4.933) 5.704 16.429 ( -6.360 3.098 3.479) 7.884 16.476 ( -1.250 0.214 -4.006) 4.202 16.527 ( -3.652 -2.724 0.611) 4.596 16.545 ( -0.882 -3.003 -2.758) 4.172 20.435 ( 0.599 1.833 0.674) 2.043 20.460 ( 0.350 -0.406 -0.748) 0.920 20.689 ( 0.153 -1.118 3.162) 3.357 20.734 ( 0.376 -5.510 0.079) 5.523 21.544 ( 4.212 4.846 2.194) 6.785 21.574 ( 5.067 3.782 -0.060) 6.323 21.714 ( 1.014 1.469 0.760) 1.940 21.785 ( 1.335 -3.930 -2.389) 4.789 21.921 ( 1.957 5.133 -0.170) 5.496 21.963 ( -2.203 1.511 1.462) 3.045 22.203 ( -1.675 4.194 -0.846) 4.595 22.257 ( -0.992 1.115 -1.145) 1.882 22.539 ( 1.762 6.271 3.571) 7.428 22.730 ( -5.022 -7.069 -0.762) 8.705 22.774 ( 4.245 -0.876 -1.002) 4.449 22.881 ( -2.918 -8.238 -0.882) 8.784 23.387 ( 0.336 0.634 -0.313) 0.782 23.413 ( 0.193 -1.678 -1.111) 2.022 23.626 ( -1.958 2.470 -1.267) 3.397 23.691 ( -2.816 -4.551 -3.008) 6.139 24.200 ( 3.374 5.034 2.765) 6.661 24.251 ( 2.340 -0.036 1.299) 2.676 24.615 ( -8.179 1.767 -3.385) 9.027 24.640 ( -12.885 -0.612 0.609) 12.914 25.946 ( 0.918 1.324 0.811) 1.804 25.958 ( 1.344 0.798 -0.290) 1.589 26.026 ( 0.538 -1.667 1.387) 2.234 26.044 ( 2.824 -2.918 -1.762) 4.427 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -0.984 1.390 3.883) 4.240 1.553 ( 0.527 -1.842 0.155) 1.922 1.876 ( -14.912 7.048 0.999) 16.524 2.008 ( -7.566 -6.032 1.960) 9.873 2.125 ( -6.794 4.777 1.249) 8.399 2.170 ( -3.201 1.795 3.140) 4.830 2.307 ( -2.111 -3.753 1.041) 4.430 2.309 ( -0.816 -3.809 -3.540) 5.264 2.506 ( 4.828 2.563 -0.586) 5.497 2.536 ( 1.989 -0.291 -0.925) 2.213 2.614 ( 9.018 3.406 -1.265) 9.723 2.660 ( 5.311 0.033 -2.588) 5.908 2.701 ( -0.293 -0.938 2.519) 2.704 2.719 ( -1.675 -1.699 -3.067) 3.886 2.765 ( -2.244 -1.019 1.233) 2.756 2.808 ( -4.368 -4.545 -2.168) 6.666 2.881 ( 2.603 -1.737 -6.773) 7.460 2.897 ( 4.639 -3.377 -3.284) 6.611 3.011 ( 0.042 0.669 2.762) 2.842 3.033 ( 1.077 -1.730 0.554) 2.111 3.244 ( 1.803 3.392 6.189) 7.285 3.284 ( 1.164 0.183 -2.524) 2.786 3.327 ( -1.270 2.119 2.202) 3.309 3.356 ( -2.855 2.940 -1.250) 4.285 3.441 ( -7.041 -3.092 2.480) 8.080 3.469 ( -6.015 -3.634 2.658) 7.513 3.596 ( -5.576 5.786 1.373) 8.152 3.672 ( 0.266 0.493 -4.780) 4.813 3.703 ( -5.036 4.163 2.469) 6.985 3.782 ( -5.118 -2.009 1.235) 5.635 3.871 ( 1.666 4.595 -1.858) 5.229 3.922 ( -1.778 0.367 -2.855) 3.383 3.978 ( -7.820 5.137 3.395) 9.953 4.036 ( -3.559 -0.903 1.335) 3.907 4.127 ( 2.808 5.393 2.203) 6.467 4.194 ( -0.062 2.575 -1.418) 2.940 4.241 ( 0.062 3.934 2.705) 4.775 4.314 ( 5.012 -1.717 1.794) 5.593 4.449 ( -0.055 2.333 -3.792) 4.453 4.471 ( -2.779 1.729 1.213) 3.491 4.570 ( -4.634 -2.555 2.534) 5.867 4.611 ( 0.934 -6.610 -0.859) 6.731 4.662 ( 0.406 -0.878 1.938) 2.166 4.684 ( 4.472 -1.765 1.933) 5.182 4.785 ( -5.767 3.581 3.154) 7.485 4.894 ( -3.851 -7.027 -0.666) 8.041 5.004 ( 3.145 0.566 -4.994) 5.929 5.052 ( -1.184 -4.423 -3.369) 5.685 5.230 ( 0.963 2.939 -2.381) 3.903 5.283 ( 1.023 -1.417 -0.935) 1.982 5.383 ( 5.152 5.020 -3.942) 8.203 5.478 ( 5.615 -4.386 -5.548) 9.030 5.589 ( 1.563 5.429 2.866) 6.335 5.652 ( 4.411 -0.600 1.308) 4.640 5.756 ( -1.542 1.178 -4.396) 4.805 5.803 ( 3.871 -0.081 -0.023) 3.872 5.831 ( -1.089 3.878 -0.348) 4.043 5.870 ( -0.464 -2.567 -3.027) 3.996 5.973 ( 0.869 8.370 1.751) 8.595 6.046 ( -0.290 2.534 2.452) 3.538 6.084 ( 0.283 -2.899 3.315) 4.413 6.167 ( 3.785 -8.909 2.177) 9.921 6.395 ( 6.292 3.747 -1.000) 7.391 6.427 ( 7.208 0.016 -0.542) 7.229 6.824 ( 1.130 8.524 0.081) 8.599 6.837 ( 1.859 9.579 -1.075) 9.817 7.083 ( 0.425 -5.454 1.806) 5.761 7.115 ( 1.024 -6.440 -1.632) 6.722 7.319 ( -1.723 1.663 1.436) 2.793 7.367 ( 1.984 -3.492 -1.434) 4.265 7.517 ( -3.266 2.468 0.009) 4.093 7.575 ( 2.535 -3.808 0.299) 4.584 7.752 ( -3.056 2.179 2.153) 4.327 7.802 ( 0.316 -2.352 -0.582) 2.444 7.917 ( -2.649 -4.463 3.232) 6.114 7.942 ( -1.549 -6.298 0.280) 6.492 8.119 ( -7.075 3.431 2.033) 8.121 8.177 ( -6.876 -2.450 2.524) 7.724 8.245 ( 3.135 3.193 0.866) 4.558 8.297 ( 2.811 -2.224 0.178) 3.588 8.438 ( -1.407 2.098 2.822) 3.787 8.486 ( -4.433 -2.829 -0.340) 5.269 8.614 ( 1.701 1.703 3.820) 4.515 8.636 ( 1.894 -0.633 -0.439) 2.044 8.937 ( 3.979 3.293 -0.907) 5.244 8.968 ( 3.420 0.111 -3.157) 4.656 9.220 ( -1.626 4.569 -0.431) 4.868 9.256 ( 0.326 1.873 -0.895) 2.102 9.305 ( 2.402 0.510 3.635) 4.387 9.339 ( 0.657 -2.351 -0.499) 2.491 9.354 ( 1.154 -2.223 -5.191) 5.763 9.375 ( 1.040 -2.814 -3.183) 4.374 9.728 ( -2.621 2.164 5.405) 6.385 9.790 ( -2.608 -3.320 -0.778) 4.293 9.918 ( -3.486 6.664 6.272) 9.793 9.985 ( -0.651 2.461 2.042) 3.263 10.031 ( 1.541 1.021 -1.854) 2.618 10.052 ( 2.485 -1.384 -5.226) 5.950 10.141 ( -2.798 5.751 5.551) 8.469 10.214 ( -3.629 -3.770 -2.632) 5.857 10.256 ( -0.851 0.053 1.228) 1.495 10.335 ( 3.509 -4.468 1.899) 5.991 10.450 ( 2.602 0.616 0.810) 2.794 10.478 ( 0.913 -2.636 -5.348) 6.032 10.720 ( -5.640 9.721 -0.783) 11.265 10.847 ( 4.733 7.156 5.194) 10.029 10.926 ( -3.531 -10.298 -1.598) 11.003 10.973 ( 1.905 -5.464 5.078) 7.699 11.024 ( 4.350 3.523 0.686) 5.640 11.075 ( 4.196 2.704 -3.973) 6.380 11.136 ( 4.675 -5.058 -1.359) 7.021 11.197 ( -1.218 -5.929 -5.239) 8.005 11.308 ( 1.269 6.684 -3.102) 7.477 11.385 ( 6.420 -0.260 0.043) 6.426 11.761 ( -1.011 -2.142 4.930) 5.470 11.781 ( -2.881 -4.389 -1.112) 5.367 12.002 ( -5.392 7.645 4.446) 10.358 12.131 ( -1.554 -2.397 -2.861) 4.043 12.191 ( -1.321 -5.061 -1.902) 5.566 12.231 ( -0.539 -5.376 -2.951) 6.156 12.453 ( -6.477 0.649 -1.952) 6.796 12.479 ( -4.744 -2.014 -2.370) 5.673 12.499 ( 0.348 -1.023 2.099) 2.361 12.511 ( 1.302 -1.917 3.167) 3.925 12.689 ( -0.572 6.510 -0.430) 6.549 12.711 ( 1.576 2.414 -2.806) 4.022 12.774 ( -4.697 -3.016 -1.328) 5.738 12.832 ( 0.989 -7.653 1.602) 7.881 13.250 ( -5.291 5.666 -3.895) 8.676 13.313 ( -0.194 4.130 -2.627) 4.898 13.385 ( -3.363 -2.171 -1.913) 4.437 13.433 ( -1.554 -0.990 -2.018) 2.733 13.530 ( 2.066 6.505 0.602) 6.851 13.590 ( 3.420 0.439 -8.206) 8.901 13.881 ( -8.331 2.666 0.379) 8.755 13.991 ( -0.123 -6.867 -0.516) 6.888 14.179 ( -11.706 0.548 -2.316) 11.946 14.235 ( -2.359 -3.414 -0.002) 4.150 14.313 ( 8.711 1.776 5.812) 10.621 14.416 ( 13.277 -7.586 3.378) 15.660 14.810 ( -6.923 3.386 2.739) 8.179 14.863 ( -5.432 -2.003 -0.666) 5.827 15.211 ( 2.186 4.223 -0.230) 4.760 15.240 ( 4.770 1.194 -0.381) 4.932 15.594 ( -1.933 1.740 8.738) 9.117 15.638 ( -0.328 -2.708 5.226) 5.895 15.864 ( 1.584 1.748 -2.518) 3.451 15.898 ( 2.418 -1.641 -5.263) 6.019 16.380 ( -1.184 3.167 4.450) 5.588 16.454 ( -0.554 -4.513 2.050) 4.987 16.529 ( 5.501 1.976 -3.382) 6.753 16.583 ( 6.041 -3.518 -2.911) 7.573 20.450 ( 0.400 1.312 0.221) 1.389 20.456 ( 0.032 0.829 -1.356) 1.590 20.710 ( -0.057 -2.776 2.735) 3.897 20.731 ( -0.326 -5.006 -0.959) 5.108 21.559 ( -4.829 6.927 1.062) 8.511 21.589 ( -3.437 3.947 -1.500) 5.444 21.722 ( -2.676 -2.428 1.135) 3.787 21.727 ( -1.814 -3.504 1.476) 4.213 21.939 ( -1.552 6.933 -1.765) 7.321 21.999 ( 4.688 1.687 -1.710) 5.268 22.196 ( -1.105 1.208 1.012) 1.925 22.218 ( 0.954 -0.732 0.512) 1.307 22.582 ( -2.266 2.934 2.158) 4.290 22.680 ( 1.994 -2.527 2.554) 4.109 22.773 ( 0.567 5.452 -3.938) 6.749 22.974 ( 11.632 -10.210 -7.999) 17.422 23.399 ( 0.136 0.562 0.186) 0.608 23.410 ( 0.545 -0.477 -1.258) 1.452 23.613 ( 0.095 -1.006 2.615) 2.804 23.634 ( 0.520 -3.121 -0.393) 3.188 24.146 ( -10.128 6.060 6.159) 13.313 24.228 ( -8.206 -2.536 4.737) 9.809 24.578 ( 9.629 8.020 -0.786) 12.556 24.701 ( 14.771 -4.937 -3.906) 16.056 25.945 ( -1.606 1.141 0.752) 2.109 25.958 ( -1.177 0.497 -0.073) 1.280 26.017 ( -2.240 -0.240 0.851) 2.408 26.059 ( -0.012 -3.940 -1.839) 4.348 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -13.600 4.970 3.370) 14.867 1.529 ( -1.543 2.072 -3.103) 4.037 1.556 ( -8.245 11.232 1.569) 14.021 1.843 ( -5.894 -12.975 2.024) 14.394 1.946 ( -12.120 7.297 1.427) 14.219 2.123 ( -14.105 -10.245 2.192) 17.571 2.234 ( 1.849 1.503 -5.852) 6.318 2.285 ( -0.632 -3.007 -1.474) 3.408 2.458 ( -6.348 5.174 -3.258) 8.813 2.526 ( -7.690 0.103 -6.221) 9.892 2.561 ( -4.003 0.231 -3.287) 5.185 2.588 ( -3.063 -2.523 -0.632) 4.018 2.712 ( -0.033 3.002 3.202) 4.389 2.764 ( -0.547 -1.630 3.742) 4.119 2.798 ( 7.629 3.424 -3.817) 9.192 2.865 ( 4.911 2.654 -7.157) 9.076 2.886 ( 8.608 -4.055 -3.505) 10.140 2.937 ( 4.348 -4.027 -6.443) 8.754 3.021 ( -5.101 3.108 4.858) 7.699 3.066 ( -3.446 -1.284 4.127) 5.527 3.228 ( -5.630 6.253 2.728) 8.846 3.252 ( -2.570 3.274 -0.927) 4.264 3.297 ( -0.879 -2.451 -1.907) 3.227 3.313 ( -3.705 3.128 8.237) 9.558 3.377 ( -3.405 -5.785 0.767) 6.757 3.427 ( 0.511 -2.470 8.545) 8.909 3.509 ( -2.966 5.236 3.089) 6.764 3.585 ( -4.636 -0.948 -0.690) 4.782 3.661 ( -7.292 3.007 -3.275) 8.541 3.681 ( -1.512 4.015 2.035) 4.748 3.762 ( -8.777 4.699 -2.190) 10.194 3.847 ( -4.910 -3.057 0.793) 5.838 3.932 ( -3.782 2.231 -0.138) 4.393 3.999 ( 1.509 -2.797 0.816) 3.281 4.129 ( -1.991 6.197 5.927) 8.803 4.194 ( -0.795 0.306 3.956) 4.047 4.202 ( -7.369 2.134 1.955) 7.917 4.340 ( -4.726 -6.623 -0.219) 8.139 4.439 ( -5.234 4.265 5.039) 8.424 4.477 ( -1.667 -2.318 0.269) 2.868 4.543 ( 5.762 3.917 0.429) 6.980 4.685 ( 4.140 -2.448 1.639) 5.081 4.697 ( 1.256 -1.286 -1.446) 2.307 4.701 ( 3.696 -0.789 1.127) 3.944 4.789 ( 4.125 -2.582 -3.354) 5.910 4.811 ( -3.972 -5.207 -4.038) 7.694 4.944 ( -1.831 0.168 0.164) 1.846 5.015 ( 0.142 -5.899 -1.769) 6.160 5.225 ( 0.944 1.530 -7.341) 7.558 5.324 ( 1.265 -7.391 -8.919) 11.652 5.389 ( -5.475 4.912 -6.357) 9.722 5.442 ( -1.954 -0.072 -4.493) 4.900 5.551 ( -4.443 3.649 -2.469) 6.257 5.631 ( 0.751 -2.584 1.330) 3.002 5.759 ( -0.474 2.716 -0.953) 2.917 5.767 ( 4.131 2.298 -1.664) 5.012 5.946 ( 7.089 4.608 2.386) 8.785 6.029 ( 7.512 2.632 1.157) 8.044 6.074 ( 12.594 -1.250 4.548) 13.448 6.097 ( 3.679 -4.444 1.811) 6.046 6.220 ( 8.578 4.885 6.824) 12.001 6.319 ( 8.889 -5.259 4.336) 11.202 6.524 ( 6.260 3.345 -4.413) 8.358 6.574 ( 8.959 -2.395 -4.040) 10.115 6.844 ( 3.076 7.104 -1.525) 7.890 6.892 ( 3.019 3.724 -0.797) 4.859 7.103 ( 0.912 1.225 0.290) 1.554 7.143 ( 0.742 -2.653 0.036) 2.755 7.295 ( 0.314 5.769 0.168) 5.780 7.404 ( 3.274 -3.584 -1.468) 5.072 7.441 ( -3.655 3.923 -1.093) 5.472 7.573 ( -2.648 -7.781 -0.976) 8.277 7.694 ( -5.232 5.661 1.820) 7.921 7.790 ( -1.473 -2.503 -2.038) 3.548 7.884 ( -4.001 -5.861 5.494) 8.975 7.913 ( -2.355 -5.080 -0.625) 5.634 8.018 ( -3.690 1.641 2.280) 4.638 8.061 ( -5.375 -3.547 1.931) 6.723 8.232 ( -4.959 3.335 0.577) 6.004 8.292 ( -5.263 -3.121 1.076) 6.212 8.446 ( 3.009 0.289 3.374) 4.530 8.473 ( 4.557 -2.468 1.435) 5.377 8.683 ( 2.165 4.368 7.354) 8.823 8.735 ( 4.734 -0.433 3.591) 5.958 8.985 ( 3.894 3.731 -6.279) 8.277 8.999 ( 3.403 0.853 -5.568) 6.581 9.208 ( -0.112 4.376 0.203) 4.382 9.279 ( 1.764 -1.596 0.506) 2.432 9.308 ( 0.872 -0.138 -2.755) 2.893 9.355 ( 1.514 -1.356 0.826) 2.194 9.364 ( 1.940 -2.127 -3.197) 4.302 9.424 ( -0.348 -3.876 2.601) 4.680 9.699 ( -0.748 1.963 1.707) 2.707 9.765 ( -2.050 -3.441 4.182) 5.790 9.881 ( -2.125 7.065 1.624) 7.555 9.954 ( -3.918 1.624 2.580) 4.964 10.020 ( 1.195 2.464 -5.603) 6.236 10.075 ( 2.058 -2.828 -4.253) 5.506 10.108 ( -6.092 2.405 2.208) 6.912 10.144 ( -0.225 8.298 3.438) 8.984 10.241 ( -1.946 -2.075 -0.682) 2.925 10.356 ( -0.977 -7.754 -0.653) 7.842 10.488 ( 3.043 3.344 -0.654) 4.568 10.514 ( 3.570 0.597 -4.060) 5.439 10.700 ( 3.309 8.254 0.705) 8.921 10.882 ( 0.854 -6.544 -2.976) 7.240 10.947 ( 0.908 5.017 11.810) 12.864 11.026 ( -0.288 -0.712 -5.406) 5.461 11.076 ( 2.148 -3.985 -5.802) 7.359 11.115 ( -2.884 -5.026 7.635) 9.585 11.206 ( 10.828 1.386 -2.840) 11.280 11.286 ( 8.834 -5.164 -0.383) 10.240 11.394 ( 7.728 4.560 -2.263) 9.254 11.467 ( 3.427 -1.078 -3.779) 5.214 11.717 ( -5.906 2.293 4.989) 8.064 11.773 ( -3.108 -3.245 5.171) 6.850 11.926 ( -4.589 2.224 2.678) 5.760 11.997 ( -9.433 -3.824 -2.726) 10.537 12.085 ( -7.489 -1.841 -5.375) 9.401 12.150 ( -4.935 -7.217 -3.047) 9.258 12.304 ( -6.155 1.455 1.079) 6.415 12.358 ( -5.427 -4.307 -0.828) 6.978 12.494 ( -3.707 0.711 2.127) 4.332 12.517 ( -4.818 -0.457 -0.175) 4.842 12.644 ( -3.456 5.602 -4.851) 8.177 12.699 ( -0.425 3.001 -2.213) 3.752 12.714 ( 0.579 -1.256 -4.902) 5.094 12.797 ( -5.037 -7.454 -1.565) 9.131 13.037 ( -10.526 5.951 -4.963) 13.071 13.137 ( -10.907 -0.914 -2.665) 11.265 13.305 ( -2.124 -0.161 -3.462) 4.065 13.386 ( -1.364 -5.037 -1.502) 5.431 13.578 ( -0.708 7.473 5.449) 9.276 13.665 ( 6.253 0.141 -4.393) 7.643 13.739 ( -3.318 -1.096 -2.395) 4.236 13.834 ( -12.542 -9.385 2.985) 15.947 14.085 ( -0.742 6.991 -3.468) 7.839 14.214 ( -2.545 -5.162 0.985) 5.839 14.558 ( 4.448 7.422 11.838) 14.664 14.655 ( -0.921 0.333 -1.749) 2.004 14.697 ( -5.979 -1.397 -3.181) 6.915 14.724 ( 7.239 -6.611 7.527) 12.360 15.248 ( 1.690 6.532 -0.691) 6.782 15.315 ( 3.317 -0.381 -1.021) 3.491 15.618 ( -0.612 1.492 5.886) 6.102 15.671 ( 0.758 -3.665 3.401) 5.057 15.878 ( 1.263 1.736 -2.055) 2.972 15.922 ( 3.079 -2.375 -4.158) 5.692 16.450 ( 4.732 2.600 5.849) 7.960 16.510 ( 4.517 -3.822 4.032) 7.160 16.649 ( 8.866 2.614 -3.634) 9.932 16.702 ( 8.079 -2.946 -3.055) 9.126 20.441 ( -0.126 1.753 -1.442) 2.274 20.457 ( 0.295 0.285 -0.515) 0.659 20.707 ( -1.296 -3.037 -1.651) 3.691 20.714 ( -1.222 -3.427 0.847) 3.736 21.450 ( -5.798 5.718 0.670) 8.171 21.477 ( -5.508 2.359 -1.929) 6.295 21.640 ( -6.160 -0.262 1.046) 6.254 21.676 ( -5.967 -3.962 1.647) 7.349 21.907 ( -0.877 8.381 0.349) 8.434 22.032 ( 0.919 -3.585 -1.846) 4.135 22.213 ( 2.397 4.622 1.869) 5.532 22.279 ( 2.831 -0.136 0.736) 2.928 22.552 ( -0.300 6.044 -1.179) 6.165 22.673 ( -2.628 -4.442 0.008) 5.161 22.863 ( 8.760 7.507 -4.017) 12.216 23.100 ( 7.946 -12.526 -10.663) 18.269 23.392 ( 0.423 1.210 -0.841) 1.533 23.420 ( 0.933 -1.825 -0.842) 2.216 23.646 ( 1.733 1.653 0.748) 2.509 23.698 ( 1.473 -4.176 2.096) 4.899 24.062 ( -1.932 4.765 9.883) 11.140 24.140 ( -2.283 -3.763 7.737) 8.902 24.839 ( 15.839 10.694 1.745) 19.191 24.994 ( 17.608 -5.876 -2.381) 18.714 25.902 ( -3.240 1.107 0.595) 3.475 25.917 ( -3.024 0.197 0.029) 3.030 25.957 ( -4.532 0.656 0.402) 4.597 26.018 ( -3.100 -5.132 -1.969) 6.310 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-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 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -12.419 15.318 3.934) 20.109 1.401 ( -4.457 -3.962 -6.897) 9.118 1.530 ( -9.371 14.368 9.982) 19.847 1.748 ( -4.829 -2.181 -2.230) 5.749 1.796 ( -16.091 -7.157 -4.037) 18.068 1.830 ( 1.643 -14.385 -6.572) 15.901 2.212 ( -0.246 -0.977 -0.817) 1.298 2.248 ( -0.975 -2.449 -2.680) 3.759 2.363 ( -1.507 6.210 -2.254) 6.776 2.426 ( -1.189 11.509 -0.468) 11.580 2.488 ( -1.844 -4.059 -1.359) 4.661 2.513 ( -3.962 0.580 -1.405) 4.243 2.726 ( -2.378 4.979 4.396) 7.055 2.774 ( 0.717 2.220 4.919) 5.444 2.856 ( -5.876 2.532 2.474) 6.860 2.881 ( 2.090 8.944 2.728) 9.581 2.882 ( -1.988 1.265 -1.563) 2.827 2.990 ( 1.381 1.349 -1.015) 2.181 3.014 ( 1.426 -3.460 1.929) 4.210 3.062 ( 6.789 -1.808 -1.137) 7.117 3.172 ( -2.798 2.916 -0.224) 4.047 3.222 ( -2.130 2.051 0.405) 2.985 3.297 ( 0.548 -0.578 1.339) 1.558 3.333 ( 0.961 -6.160 2.642) 6.771 3.355 ( 0.135 1.713 1.077) 2.028 3.392 ( -6.197 2.104 -2.071) 6.865 3.435 ( -7.686 0.759 -3.046) 8.303 3.485 ( -3.265 1.072 1.314) 3.679 3.519 ( -4.458 -1.432 2.760) 5.435 3.657 ( -2.645 -4.445 4.201) 6.663 3.737 ( 1.858 -3.279 2.001) 4.267 3.771 ( -0.180 -8.710 4.580) 9.843 3.903 ( 0.377 7.255 -0.309) 7.272 3.990 ( -2.916 -1.004 -0.158) 3.088 4.053 ( -5.955 12.860 -5.562) 15.225 4.172 ( -2.403 0.550 0.989) 2.656 4.192 ( 1.236 6.002 5.777) 8.421 4.290 ( -2.277 -4.230 2.103) 5.244 4.295 ( -6.310 -0.216 -3.357) 7.151 4.392 ( -5.063 -6.942 0.648) 8.617 4.578 ( -4.926 -0.594 -2.355) 5.492 4.627 ( -7.585 -4.103 3.222) 9.206 4.756 ( 2.460 5.869 4.036) 7.535 4.779 ( 4.399 -0.979 -0.831) 4.583 4.836 ( 2.652 -5.342 4.181) 7.284 4.889 ( 8.169 -1.871 -0.624) 8.404 4.952 ( 2.857 2.152 -4.940) 6.099 5.016 ( 0.251 -7.629 -2.014) 7.894 5.185 ( -3.631 1.212 -3.233) 5.010 5.196 ( -3.355 -1.224 -5.341) 6.425 5.256 ( -3.820 -0.678 -7.472) 8.420 5.299 ( -2.595 -5.664 -6.544) 9.035 5.596 ( 4.785 3.081 -0.851) 5.755 5.665 ( 0.703 -3.641 1.122) 3.875 5.790 ( 3.514 5.971 1.260) 7.042 5.850 ( 4.344 -0.125 -1.645) 4.647 6.105 ( 8.987 1.256 0.498) 9.088 6.158 ( 6.680 -3.629 2.120) 7.892 6.202 ( 2.490 4.173 4.921) 6.916 6.269 ( 4.498 -2.534 4.225) 6.671 6.453 ( 10.013 4.260 3.015) 11.291 6.509 ( 6.889 -2.736 3.704) 8.286 6.564 ( 4.159 4.088 -6.372) 8.638 6.656 ( 4.169 -6.065 -7.431) 10.459 6.869 ( -0.191 8.003 -3.252) 8.641 6.945 ( 2.320 1.959 0.098) 3.038 7.066 ( -6.896 -3.758 0.110) 7.854 7.068 ( -5.880 -1.595 1.569) 6.291 7.331 ( -0.279 9.901 2.035) 10.111 7.417 ( 5.933 6.031 -5.588) 10.139 7.497 ( 3.581 0.276 -2.070) 4.145 7.533 ( -0.147 -3.168 2.026) 3.763 7.604 ( -2.673 0.895 2.255) 3.610 7.730 ( -2.263 -4.682 -2.573) 5.802 7.817 ( -6.074 -3.329 3.695) 7.850 7.861 ( -4.603 -1.756 1.818) 5.251 7.973 ( 0.678 -0.148 -3.902) 3.964 8.011 ( -0.574 -4.210 -4.078) 5.889 8.132 ( -7.917 -0.145 6.231) 10.076 8.191 ( -5.265 -5.524 4.502) 8.860 8.589 ( 7.997 2.230 4.007) 9.219 8.630 ( 9.616 -1.556 1.633) 9.877 8.774 ( 2.167 6.158 6.056) 8.905 8.825 ( 2.604 1.378 1.774) 3.439 9.021 ( 3.447 2.910 -3.857) 5.935 9.053 ( 5.826 -1.322 -4.697) 7.600 9.149 ( -6.653 3.075 1.328) 7.448 9.212 ( -7.380 -3.536 1.995) 8.423 9.345 ( 3.819 2.927 0.946) 4.904 9.403 ( 3.881 -1.028 -0.442) 4.039 9.445 ( 5.628 1.147 0.647) 5.780 9.481 ( 9.760 -5.205 -2.646) 11.373 9.689 ( -1.742 3.190 -0.009) 3.635 9.744 ( -2.826 -2.467 2.244) 4.371 9.875 ( -1.947 7.435 0.253) 7.690 9.897 ( -3.198 4.119 -0.005) 5.215 9.992 ( -2.229 1.742 0.748) 2.926 10.018 ( -3.437 5.805 -4.438) 8.075 10.080 ( -0.166 -1.841 3.022) 3.542 10.169 ( -3.794 -2.969 -1.033) 4.927 10.200 ( 2.578 1.142 3.389) 4.409 10.302 ( -5.873 -6.140 3.071) 9.034 10.482 ( 1.571 8.152 -10.143) 13.107 10.628 ( 8.937 -3.944 -4.781) 10.876 10.781 ( 2.324 5.235 2.307) 6.175 10.861 ( -3.514 0.227 -0.579) 3.569 10.976 ( -0.611 -2.908 -5.589) 6.330 10.988 ( 4.308 -4.632 -8.310) 10.444 11.056 ( -6.604 -3.037 5.280) 8.984 11.105 ( -1.932 -8.372 10.275) 13.394 11.353 ( 0.184 2.985 0.674) 3.066 11.372 ( 1.861 1.612 2.699) 3.653 11.482 ( 1.424 0.649 -1.897) 2.459 11.508 ( -1.903 -2.515 -0.443) 3.185 11.642 ( 1.815 4.583 -1.245) 5.084 11.705 ( 0.467 -1.920 -2.360) 3.078 11.852 ( 1.364 1.607 -0.185) 2.116 11.914 ( -3.486 -4.132 1.473) 5.603 11.980 ( 0.952 1.022 1.491) 2.043 12.068 ( -1.185 -7.166 -2.481) 7.675 12.234 ( -5.042 -1.708 1.767) 5.609 12.244 ( -7.949 -1.159 -2.072) 8.297 12.314 ( -9.558 0.911 -4.073) 10.430 12.349 ( -9.327 -1.989 -3.729) 10.240 12.539 ( -4.371 3.814 -1.662) 6.034 12.630 ( -6.573 -5.108 -2.668) 8.742 12.690 ( -0.696 0.769 -1.687) 1.981 12.703 ( -1.693 -0.728 -2.296) 2.944 12.924 ( -1.058 7.990 0.371) 8.068 12.995 ( -3.857 3.364 -0.519) 5.144 13.278 ( 0.287 -3.906 -1.746) 4.288 13.352 ( 0.016 -8.413 -4.931) 9.751 13.565 ( -3.607 3.665 10.967) 12.112 13.658 ( -8.767 -3.133 7.250) 11.800 13.729 ( 5.219 2.536 -6.483) 8.700 13.767 ( 5.337 -1.008 -5.629) 7.822 14.041 ( -0.894 4.168 -3.055) 5.244 14.135 ( -5.682 -4.617 0.012) 7.321 14.465 ( -8.148 1.921 1.222) 8.460 14.476 ( -9.147 0.478 -2.093) 9.396 14.847 ( 7.659 5.247 6.435) 11.296 14.950 ( 7.170 -4.009 5.623) 9.954 15.269 ( 0.833 6.128 0.715) 6.226 15.348 ( 0.926 -1.467 -0.738) 1.885 15.644 ( -0.714 2.001 5.340) 5.747 15.709 ( 1.410 -4.158 1.982) 4.817 15.882 ( 0.347 1.646 -1.236) 2.088 15.946 ( 2.258 -4.151 -4.131) 6.276 16.592 ( 5.026 2.454 6.344) 8.457 16.642 ( 5.293 -2.854 4.730) 7.650 16.777 ( 6.770 2.303 -3.807) 8.102 16.817 ( 6.038 -1.914 -3.744) 7.358 20.440 ( 0.953 1.975 -0.574) 2.267 20.463 ( 0.898 -0.090 -0.561) 1.062 20.655 ( -2.917 -0.834 -1.920) 3.590 20.674 ( -2.870 -2.472 -1.086) 3.940 21.383 ( -2.299 4.103 1.827) 5.045 21.400 ( -1.559 2.038 -0.934) 2.731 21.530 ( -5.313 0.726 1.027) 5.459 21.572 ( -4.613 -3.364 -0.933) 5.785 21.910 ( -0.347 9.708 4.505) 10.708 22.052 ( 1.077 -4.381 3.218) 5.541 22.245 ( -0.049 6.762 -2.980) 7.390 22.304 ( 0.929 1.403 -3.334) 3.734 22.555 ( 1.088 5.120 -0.625) 5.272 22.624 ( -1.692 0.749 -1.902) 2.654 22.976 ( 4.928 -1.469 -1.013) 5.241 23.138 ( 3.320 -13.217 -8.583) 16.106 23.413 ( 1.909 1.153 0.582) 2.305 23.442 ( 1.927 -2.039 -0.186) 2.812 23.629 ( -2.206 1.150 -3.220) 4.069 23.660 ( -3.675 -2.029 -3.019) 5.170 24.205 ( 6.948 2.037 9.607) 12.030 24.250 ( 6.304 -3.188 6.777) 9.789 25.138 ( 12.696 8.639 5.059) 16.168 25.277 ( 12.875 -5.811 -1.468) 14.201 25.846 ( -2.697 0.797 0.280) 2.826 25.857 ( -3.011 0.318 -0.132) 3.031 25.870 ( -4.215 0.572 0.100) 4.255 25.923 ( -5.511 -4.480 -1.273) 7.215 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/31500 10.0 250.656 180.230 209.132 0.000 4.355 0.000 3/31500 20.0 40.141 32.547 28.657 0.000 -0.735 0.000 3/31500 30.0 17.110 13.941 11.686 0.000 -0.409 0.000 3/31500 40.0 10.195 8.287 6.839 0.000 -0.248 0.000 3/31500 50.0 7.144 5.786 4.748 0.000 -0.169 0.000 3/31500 60.0 5.484 4.423 3.623 0.000 -0.125 0.000 3/31500 70.0 4.455 3.579 2.930 0.000 -0.098 0.000 3/31500 80.0 3.758 3.008 2.464 0.000 -0.080 0.000 3/31500 90.0 3.257 2.598 2.130 0.000 -0.068 0.000 3/31500 100.0 2.878 2.290 1.881 0.000 -0.059 0.000 3/31500 110.0 2.583 2.051 1.687 0.000 -0.052 0.000 3/31500 120.0 2.346 1.859 1.532 0.000 -0.047 0.000 3/31500 130.0 2.152 1.703 1.406 0.000 -0.042 0.000 3/31500 140.0 1.989 1.572 1.301 0.000 -0.039 0.000 3/31500 150.0 1.851 1.461 1.212 0.000 -0.036 0.000 3/31500 160.0 1.732 1.366 1.135 0.000 -0.034 0.000 3/31500 170.0 1.629 1.284 1.069 0.000 -0.032 0.000 3/31500 180.0 1.538 1.211 1.010 0.000 -0.030 0.000 3/31500 190.0 1.458 1.147 0.958 0.000 -0.028 0.000 3/31500 200.0 1.386 1.090 0.912 0.000 -0.027 0.000 3/31500 210.0 1.321 1.039 0.871 0.000 -0.026 0.000 3/31500 220.0 1.263 0.993 0.833 0.000 -0.025 0.000 3/31500 230.0 1.210 0.951 0.799 0.000 -0.024 0.000 3/31500 240.0 1.162 0.912 0.767 0.000 -0.023 0.000 3/31500 250.0 1.117 0.877 0.739 0.000 -0.022 0.000 3/31500 260.0 1.076 0.845 0.712 0.000 -0.022 0.000 3/31500 270.0 1.038 0.815 0.687 0.000 -0.021 0.000 3/31500 280.0 1.003 0.787 0.665 0.000 -0.021 0.000 3/31500 290.0 0.970 0.761 0.643 0.000 -0.020 0.000 3/31500 300.0 0.940 0.737 0.623 0.000 -0.019 0.000 3/31500 310.0 0.911 0.714 0.605 0.000 -0.019 0.000 3/31500 320.0 0.884 0.693 0.587 0.000 -0.019 0.000 3/31500 330.0 0.859 0.673 0.571 0.000 -0.018 0.000 3/31500 340.0 0.835 0.654 0.555 0.000 -0.018 0.000 3/31500 350.0 0.813 0.637 0.540 0.000 -0.017 0.000 3/31500 360.0 0.792 0.620 0.526 0.000 -0.017 0.000 3/31500 370.0 0.772 0.604 0.513 0.000 -0.017 0.000 3/31500 380.0 0.753 0.589 0.500 0.000 -0.016 0.000 3/31500 390.0 0.734 0.575 0.488 0.000 -0.016 0.000 3/31500 400.0 0.717 0.561 0.477 0.000 -0.016 0.000 3/31500 410.0 0.701 0.548 0.466 0.000 -0.015 0.000 3/31500 420.0 0.685 0.535 0.456 0.000 -0.015 0.000 3/31500 430.0 0.670 0.524 0.446 0.000 -0.015 0.000 3/31500 440.0 0.655 0.512 0.436 0.000 -0.015 0.000 3/31500 450.0 0.642 0.501 0.427 0.000 -0.014 0.000 3/31500 460.0 0.629 0.491 0.418 0.000 -0.014 0.000 3/31500 470.0 0.616 0.481 0.410 0.000 -0.014 0.000 3/31500 480.0 0.604 0.472 0.402 0.000 -0.014 0.000 3/31500 490.0 0.592 0.462 0.394 0.000 -0.013 0.000 3/31500 500.0 0.581 0.453 0.387 0.000 -0.013 0.000 3/31500 510.0 0.570 0.445 0.379 0.000 -0.013 0.000 3/31500 520.0 0.560 0.437 0.373 0.000 -0.013 0.000 3/31500 530.0 0.549 0.429 0.366 0.000 -0.013 0.000 3/31500 540.0 0.540 0.421 0.359 0.000 -0.012 0.000 3/31500 550.0 0.530 0.414 0.353 0.000 -0.012 0.000 3/31500 560.0 0.521 0.407 0.347 0.000 -0.012 0.000 3/31500 570.0 0.513 0.400 0.341 0.000 -0.012 0.000 3/31500 580.0 0.504 0.393 0.336 0.000 -0.012 0.000 3/31500 590.0 0.496 0.387 0.330 0.000 -0.012 0.000 3/31500 600.0 0.488 0.381 0.325 0.000 -0.011 0.000 3/31500 610.0 0.480 0.375 0.320 0.000 -0.011 0.000 3/31500 620.0 0.473 0.369 0.315 0.000 -0.011 0.000 3/31500 630.0 0.466 0.363 0.310 0.000 -0.011 0.000 3/31500 640.0 0.459 0.358 0.306 0.000 -0.011 0.000 3/31500 650.0 0.452 0.352 0.301 0.000 -0.011 0.000 3/31500 660.0 0.445 0.347 0.297 0.000 -0.010 0.000 3/31500 670.0 0.439 0.342 0.292 0.000 -0.010 0.000 3/31500 680.0 0.433 0.337 0.288 0.000 -0.010 0.000 3/31500 690.0 0.427 0.332 0.284 0.000 -0.010 0.000 3/31500 700.0 0.421 0.328 0.280 0.000 -0.010 0.000 3/31500 710.0 0.415 0.323 0.276 0.000 -0.010 0.000 3/31500 720.0 0.410 0.319 0.273 0.000 -0.010 0.000 3/31500 730.0 0.404 0.315 0.269 0.000 -0.010 0.000 3/31500 740.0 0.399 0.311 0.266 0.000 -0.009 0.000 3/31500 750.0 0.394 0.307 0.262 0.000 -0.009 0.000 3/31500 760.0 0.389 0.303 0.259 0.000 -0.009 0.000 3/31500 770.0 0.384 0.299 0.256 0.000 -0.009 0.000 3/31500 780.0 0.379 0.295 0.252 0.000 -0.009 0.000 3/31500 790.0 0.374 0.291 0.249 0.000 -0.009 0.000 3/31500 800.0 0.370 0.288 0.246 0.000 -0.009 0.000 3/31500 810.0 0.365 0.284 0.243 0.000 -0.009 0.000 3/31500 820.0 0.361 0.281 0.240 0.000 -0.009 0.000 3/31500 830.0 0.357 0.278 0.238 0.000 -0.009 0.000 3/31500 840.0 0.353 0.274 0.235 0.000 -0.008 0.000 3/31500 850.0 0.349 0.271 0.232 0.000 -0.008 0.000 3/31500 860.0 0.345 0.268 0.230 0.000 -0.008 0.000 3/31500 870.0 0.341 0.265 0.227 0.000 -0.008 0.000 3/31500 880.0 0.337 0.262 0.224 0.000 -0.008 0.000 3/31500 890.0 0.333 0.259 0.222 0.000 -0.008 0.000 3/31500 900.0 0.330 0.257 0.220 0.000 -0.008 0.000 3/31500 910.0 0.326 0.254 0.217 0.000 -0.008 0.000 3/31500 920.0 0.323 0.251 0.215 0.000 -0.008 0.000 3/31500 930.0 0.319 0.248 0.213 0.000 -0.008 0.000 3/31500 940.0 0.316 0.246 0.210 0.000 -0.008 0.000 3/31500 950.0 0.313 0.243 0.208 0.000 -0.008 0.000 3/31500 960.0 0.310 0.241 0.206 0.000 -0.008 0.000 3/31500 970.0 0.306 0.238 0.204 0.000 -0.007 0.000 3/31500 980.0 0.303 0.236 0.202 0.000 -0.007 0.000 3/31500 990.0 0.300 0.234 0.200 0.000 -0.007 0.000 3/31500 1000.0 0.297 0.231 0.198 0.000 -0.007 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:25:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|